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 2o6y_1_A DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHHLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.016 0.000 1.155 7 P CA 0.000 63.108 63.100 0.013 0.000 0.800 7 P CB 0.000 31.707 31.700 0.012 0.000 0.726 8 K N 2.539 122.950 120.400 0.018 0.000 2.359 8 K HA -0.097 4.184 4.320 -0.066 0.000 0.242 8 K C -1.873 174.738 176.600 0.019 0.000 1.098 8 K CA -0.031 56.269 56.287 0.022 0.000 1.164 8 K CB -0.032 32.481 32.500 0.023 0.000 0.720 8 K HN 0.166 nan 8.250 nan 0.000 0.500 9 P HA 0.004 nan 4.420 nan 0.000 0.270 9 P C -1.370 175.939 177.300 0.015 0.000 1.221 9 P CA -0.059 63.052 63.100 0.020 0.000 0.788 9 P CB 0.877 32.592 31.700 0.025 0.000 0.904 10 A N 1.189 124.016 122.820 0.012 0.000 2.374 10 A HA 0.543 4.824 4.320 -0.066 0.000 0.305 10 A C -1.095 176.492 177.584 0.006 0.000 1.053 10 A CA -0.562 51.479 52.037 0.007 0.000 0.726 10 A CB 1.113 20.116 19.000 0.006 0.000 1.229 10 A HN 0.292 nan 8.150 nan 0.000 0.431 11 V N 2.552 122.467 119.914 0.001 0.000 2.350 11 V HA 0.294 4.375 4.120 -0.066 0.000 0.276 11 V C 0.284 176.375 176.094 -0.004 0.000 1.028 11 V CA -0.338 61.961 62.300 -0.001 0.000 0.860 11 V CB 1.207 33.025 31.823 -0.008 0.000 0.990 11 V HN 0.954 nan 8.190 nan 0.000 0.453 12 E N 4.583 124.783 120.200 0.000 0.000 2.130 12 E HA 0.363 4.674 4.350 -0.066 0.000 0.284 12 E C -0.934 175.665 176.600 -0.001 0.000 1.018 12 E CA -0.756 55.644 56.400 -0.000 0.000 0.817 12 E CB 1.227 30.930 29.700 0.004 0.000 1.078 12 E HN 0.563 nan 8.360 nan 0.000 0.396 13 L N 5.414 126.633 121.223 -0.007 0.000 2.265 13 L HA 0.285 4.586 4.340 -0.066 0.000 0.288 13 L C -0.182 176.687 176.870 -0.003 0.000 1.058 13 L CA 0.445 55.279 54.840 -0.010 0.000 0.809 13 L CB 1.272 43.319 42.059 -0.021 0.000 1.179 13 L HN 0.728 nan 8.230 nan 0.000 0.429 14 D N 2.837 123.240 120.400 0.006 0.000 3.061 14 D HA 0.190 4.791 4.640 -0.066 0.000 0.243 14 D C 1.322 177.631 176.300 0.015 0.000 1.572 14 D CA 0.775 54.782 54.000 0.011 0.000 1.269 14 D CB 0.717 41.528 40.800 0.019 0.000 1.023 14 D HN 0.587 nan 8.370 nan 0.000 0.280 15 R N -1.725 118.795 120.500 0.034 0.000 2.302 15 R HA 0.214 4.514 4.340 -0.066 0.000 0.187 15 R C 0.193 176.535 176.300 0.070 0.000 0.904 15 R CA -0.183 55.943 56.100 0.044 0.000 1.105 15 R CB 0.534 30.864 30.300 0.051 0.000 1.239 15 R HN 0.201 nan 8.270 nan 0.000 0.620 16 H N 0.261 119.324 119.070 -0.012 0.000 2.469 16 H HA 0.563 5.080 4.556 -0.066 0.000 0.342 16 H C -1.379 173.943 175.328 -0.010 0.000 1.115 16 H CA -0.619 55.422 56.048 -0.013 0.000 1.204 16 H CB 1.413 31.168 29.762 -0.012 0.000 1.492 16 H HN 0.019 nan 8.280 nan 0.000 0.499 17 I N 4.308 124.542 120.570 -0.559 0.000 2.619 17 I HA 0.247 4.378 4.170 -0.066 0.000 0.292 17 I C -1.172 174.684 176.117 -0.434 0.000 1.100 17 I CA -0.876 60.237 61.300 -0.312 0.000 1.043 17 I CB 1.547 39.443 38.000 -0.173 0.000 1.239 17 I HN 0.845 nan 8.210 nan 0.000 0.420 18 D N 6.005 126.312 120.400 -0.154 0.000 2.423 18 D HA 0.212 4.813 4.640 -0.066 0.000 0.255 18 D C 0.994 177.271 176.300 -0.038 0.000 1.174 18 D CA -0.542 53.424 54.000 -0.057 0.000 1.008 18 D CB 0.943 41.780 40.800 0.061 0.000 1.101 18 D HN 0.496 nan 8.370 nan 0.000 0.516 19 L N -0.406 120.819 121.223 0.002 0.000 2.083 19 L HA -0.143 4.158 4.340 -0.066 0.000 0.209 19 L C 1.514 178.425 176.870 0.068 0.000 1.083 19 L CA 1.370 56.229 54.840 0.031 0.000 0.752 19 L CB -0.485 41.605 42.059 0.052 0.000 0.899 19 L HN 0.443 nan 8.230 nan 0.000 0.433 20 D N -0.165 120.276 120.400 0.068 0.000 2.117 20 D HA -0.173 4.428 4.640 -0.066 0.000 0.198 20 D C 2.336 178.680 176.300 0.073 0.000 0.982 20 D CA 1.093 55.149 54.000 0.093 0.000 0.828 20 D CB -0.127 40.719 40.800 0.078 0.000 0.967 20 D HN 0.398 nan 8.370 nan 0.000 0.464 21 Q N 0.370 120.193 119.800 0.039 0.000 2.084 21 Q HA -0.073 4.228 4.340 -0.066 0.000 0.202 21 Q C 2.224 178.223 176.000 -0.001 0.000 0.978 21 Q CA 1.368 57.182 55.803 0.017 0.000 0.844 21 Q CB -0.113 28.624 28.738 -0.001 0.000 0.898 21 Q HN 0.206 nan 8.270 nan 0.000 0.426 22 A N 0.893 123.708 122.820 -0.008 0.000 1.902 22 A HA -0.244 4.037 4.320 -0.066 0.000 0.217 22 A C 1.963 179.528 177.584 -0.032 0.000 1.181 22 A CA 1.642 53.662 52.037 -0.029 0.000 0.623 22 A CB -0.830 18.152 19.000 -0.030 0.000 0.818 22 A HN 0.448 nan 8.150 nan 0.000 0.443 23 H N -0.046 118.973 119.070 -0.085 0.000 2.423 23 H HA 0.039 4.557 4.556 -0.063 0.000 0.297 23 H C 2.239 177.484 175.328 -0.139 0.000 1.075 23 H CA 1.403 57.360 56.048 -0.150 0.000 1.342 23 H CB -0.151 29.430 29.762 -0.302 0.000 1.395 23 H HN 0.409 nan 8.280 nan 0.000 0.530 24 A N 0.460 123.279 122.820 -0.001 0.000 1.902 24 A HA -0.109 4.172 4.320 -0.066 0.000 0.217 24 A C 2.816 180.364 177.584 -0.060 0.000 1.181 24 A CA 1.677 53.714 52.037 0.001 0.000 0.623 24 A CB -0.821 18.200 19.000 0.036 0.000 0.818 24 A HN 0.289 nan 8.150 nan 0.000 0.443 25 V N -0.363 119.504 119.914 -0.079 0.000 2.323 25 V HA -0.158 3.922 4.120 -0.066 0.000 0.244 25 V C 3.046 179.043 176.094 -0.161 0.000 1.041 25 V CA 1.727 63.972 62.300 -0.091 0.000 1.025 25 V CB -1.229 30.546 31.823 -0.080 0.000 0.656 25 V HN 0.595 nan 8.190 nan 0.000 0.451 26 A N 0.882 123.567 122.820 -0.225 0.000 1.940 26 A HA -0.202 4.079 4.320 -0.066 0.000 0.219 26 A C 2.385 179.748 177.584 -0.369 0.000 1.176 26 A CA 2.261 54.111 52.037 -0.312 0.000 0.631 26 A CB -0.653 18.166 19.000 -0.301 0.000 0.814 26 A HN 0.694 nan 8.150 nan 0.000 0.446 27 S N -2.051 113.450 115.700 -0.331 0.000 2.593 27 S HA 0.375 4.806 4.470 -0.066 0.000 0.217 27 S C 1.386 176.103 174.600 0.195 0.000 0.966 27 S CA 1.014 59.164 58.200 -0.083 0.000 0.914 27 S CB -0.304 62.763 63.200 -0.222 0.000 0.776 27 S HN 1.938 nan 8.310 nan 0.000 0.523 28 G N 0.456 109.296 108.800 0.067 0.000 2.148 28 G HA2 -0.209 3.711 3.960 -0.066 0.000 0.254 28 G HA3 -0.209 3.711 3.960 -0.066 0.000 0.254 28 G C 0.795 175.763 174.900 0.114 0.000 0.981 28 G CA 0.091 45.292 45.100 0.168 0.000 0.670 28 G HN 0.993 nan 8.290 nan 0.000 0.528 29 G N -0.646 108.196 108.800 0.069 0.000 2.813 29 G HA2 0.610 4.530 3.960 -0.066 0.000 0.209 29 G HA3 0.610 4.530 3.960 -0.066 0.000 0.209 29 G C 0.564 175.491 174.900 0.044 0.000 1.150 29 G CA 1.602 46.740 45.100 0.064 0.000 0.785 29 G HN 1.832 nan 8.290 nan 0.000 0.535 30 A N -0.358 122.478 122.820 0.028 0.000 2.574 30 A HA 0.769 5.050 4.320 -0.066 0.000 0.297 30 A C -0.323 177.264 177.584 0.006 0.000 1.062 30 A CA -0.841 51.206 52.037 0.017 0.000 0.686 30 A CB 1.484 20.492 19.000 0.013 0.000 1.285 30 A HN 0.190 nan 8.150 nan 0.000 0.403 31 R N 0.026 120.530 120.500 0.007 0.000 2.583 31 R HA 0.660 4.961 4.340 -0.066 0.000 0.268 31 R C -0.668 175.626 176.300 -0.009 0.000 1.101 31 R CA -0.325 55.775 56.100 -0.000 0.000 1.180 31 R CB 1.113 31.416 30.300 0.004 0.000 1.128 31 R HN 0.679 nan 8.270 nan 0.000 0.568 32 I N 0.885 121.446 120.570 -0.015 0.000 2.545 32 I HA 0.398 4.529 4.170 -0.066 0.000 0.292 32 I C -1.433 174.676 176.117 -0.015 0.000 1.040 32 I CA -0.867 60.422 61.300 -0.019 0.000 1.068 32 I CB 1.899 39.880 38.000 -0.031 0.000 1.251 32 I HN 0.273 nan 8.210 nan 0.000 0.424 33 V N 8.009 127.916 119.914 -0.012 0.000 2.789 33 V HA 0.507 4.588 4.120 -0.066 0.000 0.311 33 V C -1.352 174.736 176.094 -0.010 0.000 1.073 33 V CA -0.698 61.597 62.300 -0.010 0.000 0.921 33 V CB 2.138 33.958 31.823 -0.005 0.000 1.009 33 V HN 0.644 nan 8.190 nan 0.000 0.426 34 L N 6.315 127.531 121.223 -0.011 0.000 2.281 34 L HA 0.769 5.070 4.340 -0.066 0.000 0.285 34 L C 0.709 177.575 176.870 -0.007 0.000 1.074 34 L CA 0.607 55.441 54.840 -0.010 0.000 0.817 34 L CB 0.923 42.974 42.059 -0.013 0.000 1.168 34 L HN 0.909 nan 8.230 nan 0.000 0.434 35 A N 6.858 129.676 122.820 -0.004 0.000 2.425 35 A HA 0.364 4.645 4.320 -0.066 0.000 0.242 35 A C -1.615 175.968 177.584 -0.002 0.000 1.077 35 A CA -0.723 51.313 52.037 -0.001 0.000 0.781 35 A CB -0.396 18.605 19.000 0.002 0.000 1.020 35 A HN 0.787 nan 8.150 nan 0.000 0.494 36 P HA -0.161 nan 4.420 nan 0.000 0.215 36 P C -1.299 176.000 177.300 -0.002 0.000 1.157 36 P CA 2.051 65.150 63.100 -0.002 0.000 0.874 36 P CB -0.712 30.987 31.700 -0.001 0.000 0.790 37 P HA -0.143 nan 4.420 nan 0.000 0.218 37 P C 1.255 178.555 177.300 0.001 0.000 1.149 37 P CA 1.850 64.951 63.100 0.001 0.000 0.817 37 P CB -0.407 31.295 31.700 0.003 0.000 0.785 38 A N 0.675 123.495 122.820 0.000 0.000 1.897 38 A HA -0.144 4.137 4.320 -0.066 0.000 0.215 38 A C 2.559 180.140 177.584 -0.005 0.000 1.181 38 A CA 1.254 53.290 52.037 -0.001 0.000 0.620 38 A CB -1.256 17.742 19.000 -0.002 0.000 0.821 38 A HN 0.033 nan 8.150 nan 0.000 0.443 39 R N -0.237 120.258 120.500 -0.007 0.000 2.091 39 R HA -0.179 4.122 4.340 -0.066 0.000 0.238 39 R C 1.236 177.529 176.300 -0.012 0.000 1.136 39 R CA 1.948 58.041 56.100 -0.011 0.000 0.959 39 R CB -0.363 29.930 30.300 -0.011 0.000 0.856 39 R HN 0.457 nan 8.270 nan 0.000 0.437 40 D N -0.000 120.395 120.400 -0.008 0.000 2.117 40 D HA -0.114 4.487 4.640 -0.066 0.000 0.198 40 D C 2.049 178.345 176.300 -0.006 0.000 0.982 40 D CA 0.969 54.965 54.000 -0.007 0.000 0.828 40 D CB -0.157 40.641 40.800 -0.004 0.000 0.967 40 D HN 0.276 nan 8.370 nan 0.000 0.464 41 R N 0.106 120.605 120.500 -0.002 0.000 2.096 41 R HA -0.071 4.229 4.340 -0.066 0.000 0.235 41 R C 2.480 178.780 176.300 -0.000 0.000 1.127 41 R CA 0.936 57.038 56.100 0.002 0.000 0.968 41 R CB -0.459 29.845 30.300 0.006 0.000 0.861 41 R HN 0.225 nan 8.270 nan 0.000 0.440 42 C N -0.073 119.224 119.300 -0.006 0.000 2.440 42 C HA -0.012 4.409 4.460 -0.066 0.000 0.278 42 C C 2.573 177.548 174.990 -0.025 0.000 1.295 42 C CA 0.445 59.456 59.018 -0.012 0.000 1.738 42 C CB -0.768 26.962 27.740 -0.017 0.000 1.987 42 C HN 0.458 nan 8.230 nan 0.000 0.492 43 R N 1.078 121.563 120.500 -0.026 0.000 2.096 43 R HA -0.098 4.202 4.340 -0.066 0.000 0.235 43 R C 2.372 178.654 176.300 -0.030 0.000 1.127 43 R CA 1.575 57.655 56.100 -0.033 0.000 0.968 43 R CB -0.447 29.837 30.300 -0.026 0.000 0.861 43 R HN 0.552 nan 8.270 nan 0.000 0.440 44 A N 0.204 123.013 122.820 -0.019 0.000 1.898 44 A HA -0.163 4.118 4.320 -0.066 0.000 0.216 44 A C 2.179 179.749 177.584 -0.022 0.000 1.181 44 A CA 1.753 53.781 52.037 -0.015 0.000 0.620 44 A CB -0.521 18.477 19.000 -0.004 0.000 0.819 44 A HN 0.289 nan 8.150 nan 0.000 0.442 45 S N -0.796 114.894 115.700 -0.017 0.000 2.383 45 S HA -0.186 4.244 4.470 -0.066 0.000 0.227 45 S C 2.013 176.561 174.600 -0.087 0.000 1.026 45 S CA 1.523 59.710 58.200 -0.022 0.000 0.981 45 S CB -0.330 62.883 63.200 0.022 0.000 0.818 45 S HN 0.673 nan 8.310 nan 0.000 0.472 46 E N 0.395 120.549 120.200 -0.077 0.000 2.085 46 E HA -0.151 4.159 4.350 -0.066 0.000 0.194 46 E C 2.054 178.594 176.600 -0.101 0.000 0.994 46 E CA 1.142 57.481 56.400 -0.101 0.000 0.801 46 E CB -0.363 29.280 29.700 -0.095 0.000 0.743 46 E HN 0.607 nan 8.360 nan 0.000 0.453 47 A N 1.176 123.952 122.820 -0.073 0.000 1.930 47 A HA -0.138 4.143 4.320 -0.066 0.000 0.217 47 A C 2.130 179.665 177.584 -0.082 0.000 1.175 47 A CA 1.158 53.161 52.037 -0.057 0.000 0.627 47 A CB -0.368 18.611 19.000 -0.034 0.000 0.815 47 A HN 0.173 nan 8.150 nan 0.000 0.443 48 R N -1.138 119.300 120.500 -0.105 0.000 2.096 48 R HA -0.096 4.205 4.340 -0.066 0.000 0.235 48 R C 2.066 178.210 176.300 -0.261 0.000 1.127 48 R CA 1.376 57.400 56.100 -0.126 0.000 0.968 48 R CB -0.568 29.684 30.300 -0.080 0.000 0.861 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.598 121.573 121.223 -0.414 0.000 2.093 49 L HA -0.003 4.298 4.340 -0.066 0.000 0.208 49 L C 2.096 178.820 176.870 -0.243 0.000 1.085 49 L CA 1.987 56.493 54.840 -0.557 0.000 0.755 49 L CB -0.916 40.828 42.059 -0.526 0.000 0.904 49 L HN 0.148 nan 8.230 nan 0.000 0.435 50 G N -1.029 107.685 108.800 -0.143 0.000 2.422 50 G HA2 -0.234 3.686 3.960 -0.066 0.000 0.218 50 G HA3 -0.234 3.686 3.960 -0.066 0.000 0.218 50 G C 1.577 176.446 174.900 -0.051 0.000 1.146 50 G CA 0.758 45.820 45.100 -0.064 0.000 0.769 50 G HN 0.628 nan 8.290 nan 0.000 0.547 51 A N 0.049 122.834 122.820 -0.058 0.000 1.930 51 A HA 0.154 4.435 4.320 -0.066 0.000 0.217 51 A C 2.571 180.147 177.584 -0.013 0.000 1.175 51 A CA 1.565 53.586 52.037 -0.028 0.000 0.627 51 A CB -0.540 18.448 19.000 -0.020 0.000 0.815 51 A HN 0.228 nan 8.150 nan 0.000 0.443 52 V N 0.290 120.185 119.914 -0.031 0.000 2.343 52 V HA -0.270 3.811 4.120 -0.066 0.000 0.247 52 V C 2.397 178.511 176.094 0.033 0.000 1.051 52 V CA 2.086 64.400 62.300 0.025 0.000 1.036 52 V CB -0.585 31.263 31.823 0.042 0.000 0.654 52 V HN 0.577 nan 8.190 nan 0.000 0.451 53 I N -0.556 120.014 120.570 0.002 0.000 2.286 53 I HA -0.200 3.930 4.170 -0.066 0.000 0.245 53 I C 2.706 178.829 176.117 0.010 0.000 1.104 53 I CA 1.489 62.796 61.300 0.012 0.000 1.397 53 I CB -0.443 37.555 38.000 -0.004 0.000 1.072 53 I HN 0.201 nan 8.210 nan 0.000 0.417 54 R N 1.457 121.958 120.500 0.001 0.000 2.105 54 R HA -0.186 4.115 4.340 -0.066 0.000 0.239 54 R C 1.642 177.948 176.300 0.010 0.000 1.135 54 R CA 1.657 57.758 56.100 0.002 0.000 0.967 54 R CB -0.038 30.261 30.300 -0.002 0.000 0.861 54 R HN 0.429 nan 8.270 nan 0.000 0.442 55 E N -0.482 119.729 120.200 0.018 0.000 2.489 55 E HA 0.115 4.426 4.350 -0.066 0.000 0.193 55 E C 0.245 176.865 176.600 0.034 0.000 1.057 55 E CA 0.379 56.794 56.400 0.026 0.000 0.866 55 E CB 0.533 30.253 29.700 0.033 0.000 0.916 55 E HN 0.443 nan 8.360 nan 0.000 0.500 56 A N 2.159 125.000 122.820 0.035 0.000 2.791 56 A HA -0.223 4.058 4.320 -0.066 0.000 0.292 56 A C 0.013 177.635 177.584 0.064 0.000 1.487 56 A CA 0.520 52.580 52.037 0.038 0.000 0.760 56 A CB -1.312 17.700 19.000 0.019 0.000 1.031 56 A HN 0.133 nan 8.150 nan 0.000 0.503 57 R N 0.138 120.694 120.500 0.093 0.000 2.594 57 R HA 0.141 4.442 4.340 -0.066 0.000 0.272 57 R C 0.522 176.938 176.300 0.193 0.000 1.074 57 R CA -0.169 56.012 56.100 0.135 0.000 1.105 57 R CB 0.132 30.522 30.300 0.150 0.000 1.008 57 R HN 0.718 nan 8.270 nan 0.000 0.472 58 H N 1.854 120.968 119.070 0.073 0.000 3.232 58 H HA 0.211 4.728 4.556 -0.065 0.000 0.254 58 H C -0.883 174.519 175.328 0.124 0.000 1.213 58 H CA -0.367 55.716 56.048 0.059 0.000 1.503 58 H CB 0.182 29.953 29.762 0.016 0.000 1.563 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.232 126.358 119.914 0.352 0.000 2.638 59 V HA 0.004 4.085 4.120 -0.066 0.000 0.306 59 V C -0.743 175.583 176.094 0.386 0.000 1.052 59 V CA -1.014 61.522 62.300 0.392 0.000 0.885 59 V CB 1.393 33.432 31.823 0.360 0.000 0.999 59 V HN 0.647 nan 8.190 nan 0.000 0.424 60 Y N 3.670 124.226 120.300 0.426 0.000 2.729 60 Y HA 0.372 4.883 4.550 -0.066 0.000 0.331 60 Y C 1.337 177.336 175.900 0.167 0.000 1.208 60 Y CA 1.797 60.036 58.100 0.232 0.000 1.521 60 Y CB 0.455 39.101 38.460 0.310 0.000 1.233 60 Y HN 1.048 nan 8.280 nan 0.000 0.539 61 G N 4.077 112.608 108.800 -0.450 0.000 2.225 61 G HA2 -0.291 3.630 3.960 -0.066 0.000 0.254 61 G HA3 -0.291 3.630 3.960 -0.066 0.000 0.254 61 G C 0.581 175.457 174.900 -0.039 0.000 0.988 61 G CA 0.520 45.468 45.100 -0.255 0.000 0.625 61 G HN 0.669 nan 8.290 nan 0.000 0.527 62 L N -0.140 121.089 121.223 0.010 0.000 2.577 62 L HA 0.289 4.589 4.340 -0.066 0.000 0.225 62 L C 2.152 179.028 176.870 0.011 0.000 1.053 62 L CA 1.525 56.397 54.840 0.054 0.000 0.866 62 L CB 0.490 42.628 42.059 0.132 0.000 1.132 62 L HN 0.427 nan 8.230 nan 0.000 0.486 63 T N -3.938 110.621 114.554 0.007 0.000 3.332 63 T HA 0.194 4.505 4.350 -0.066 0.000 0.304 63 T C 0.256 174.918 174.700 -0.064 0.000 0.971 63 T CA 0.077 62.168 62.100 -0.014 0.000 0.954 63 T CB 0.066 68.955 68.868 0.034 0.000 1.175 63 T HN 0.186 nan 8.240 nan 0.000 0.519 64 T N -1.871 112.593 114.554 -0.151 0.000 2.864 64 T HA 0.768 5.079 4.350 -0.066 0.000 0.299 64 T C 0.517 174.915 174.700 -0.503 0.000 1.166 64 T CA -0.297 61.675 62.100 -0.213 0.000 1.007 64 T CB 1.452 70.280 68.868 -0.068 0.000 1.219 64 T HN 0.283 nan 8.240 nan 0.000 0.506 65 G N -0.026 108.525 108.800 -0.416 0.000 2.553 65 G HA2 0.565 4.485 3.960 -0.066 0.000 0.278 65 G HA3 0.565 4.485 3.960 -0.066 0.000 0.278 65 G C -1.052 173.374 174.900 -0.789 0.000 1.349 65 G CA -0.791 43.980 45.100 -0.550 0.000 1.037 65 G HN 0.563 nan 8.290 nan 0.000 0.508 66 F N -0.892 119.001 119.950 -0.095 0.000 2.523 66 F HA 0.609 5.096 4.527 -0.065 0.000 0.329 66 F C 1.153 177.031 175.800 0.130 0.000 1.061 66 F CA 0.386 58.374 58.000 -0.020 0.000 0.967 66 F CB 1.422 40.437 39.000 0.025 0.000 1.218 66 F HN 1.028 nan 8.300 nan 0.000 0.480 67 G N 1.927 111.020 108.800 0.489 0.000 2.596 67 G HA2 -0.286 3.635 3.960 -0.066 0.000 0.295 67 G HA3 -0.286 3.635 3.960 -0.066 0.000 0.295 67 G C -1.905 173.107 174.900 0.188 0.000 1.240 67 G CA -0.096 45.165 45.100 0.268 0.000 0.985 67 G HN 0.516 nan 8.290 nan 0.000 0.555 68 P HA 0.124 nan 4.420 nan 0.000 0.230 68 P C 1.739 179.074 177.300 0.059 0.000 1.158 68 P CA 0.813 63.957 63.100 0.073 0.000 0.769 68 P CB -0.082 31.647 31.700 0.049 0.000 0.807 69 L N -1.647 119.610 121.223 0.057 0.000 2.599 69 L HA 0.148 4.449 4.340 -0.066 0.000 0.230 69 L C 2.029 178.895 176.870 -0.006 0.000 1.141 69 L CA 0.154 55.002 54.840 0.015 0.000 0.877 69 L CB -0.719 41.337 42.059 -0.005 0.000 1.009 69 L HN -0.042 nan 8.230 nan 0.000 0.447 70 A N 1.398 124.248 122.820 0.049 0.000 2.172 70 A HA -0.169 4.111 4.320 -0.066 0.000 0.216 70 A C 2.000 179.612 177.584 0.046 0.000 1.154 70 A CA 1.373 53.442 52.037 0.054 0.000 0.701 70 A CB -0.516 18.624 19.000 0.234 0.000 0.789 70 A HN 0.648 nan 8.150 nan 0.000 0.465 71 N N -0.455 118.265 118.700 0.034 0.000 2.515 71 N HA -0.052 4.649 4.740 -0.066 0.000 0.185 71 N C 0.080 175.582 175.510 -0.014 0.000 1.109 71 N CA 0.306 53.369 53.050 0.022 0.000 0.903 71 N CB -0.227 38.272 38.487 0.020 0.000 0.969 71 N HN 0.191 nan 8.380 nan 0.000 0.450 72 R N 1.007 121.487 120.500 -0.033 0.000 2.196 72 R HA 0.383 4.684 4.340 -0.066 0.000 0.340 72 R C -0.227 176.023 176.300 -0.082 0.000 1.043 72 R CA -0.270 55.797 56.100 -0.055 0.000 0.883 72 R CB 0.715 30.981 30.300 -0.057 0.000 1.078 72 R HN 0.156 nan 8.270 nan 0.000 0.462 73 L N 4.255 125.424 121.223 -0.090 0.000 2.371 73 L HA 0.371 4.672 4.340 -0.066 0.000 0.272 73 L C 0.070 176.882 176.870 -0.097 0.000 1.124 73 L CA -0.446 54.324 54.840 -0.116 0.000 0.816 73 L CB 0.621 42.588 42.059 -0.154 0.000 1.129 73 L HN 0.353 nan 8.230 nan 0.000 0.448 74 I N 1.533 122.045 120.570 -0.098 0.000 2.441 74 I HA 0.236 4.367 4.170 -0.066 0.000 0.295 74 I C 0.360 176.442 176.117 -0.058 0.000 0.994 74 I CA -0.261 60.992 61.300 -0.078 0.000 1.144 74 I CB 1.655 39.598 38.000 -0.094 0.000 1.314 74 I HN 0.515 nan 8.210 nan 0.000 0.445 75 S N 3.007 118.680 115.700 -0.044 0.000 2.580 75 S HA 0.362 4.793 4.470 -0.066 0.000 0.274 75 S C 1.470 176.055 174.600 -0.024 0.000 1.329 75 S CA 0.120 58.300 58.200 -0.032 0.000 1.036 75 S CB 1.237 64.421 63.200 -0.027 0.000 0.919 75 S HN 0.886 nan 8.310 nan 0.000 0.515 76 G N 2.807 111.597 108.800 -0.018 0.000 2.507 76 G HA2 -0.241 3.680 3.960 -0.066 0.000 0.221 76 G HA3 -0.241 3.680 3.960 -0.066 0.000 0.221 76 G C 1.229 176.122 174.900 -0.012 0.000 1.119 76 G CA 1.092 46.184 45.100 -0.012 0.000 0.751 76 G HN 0.894 nan 8.290 nan 0.000 0.574 77 E N 0.776 120.968 120.200 -0.013 0.000 2.478 77 E HA -0.047 4.264 4.350 -0.066 0.000 0.198 77 E C 0.893 177.487 176.600 -0.010 0.000 1.046 77 E CA 0.543 56.935 56.400 -0.012 0.000 0.870 77 E CB -0.260 29.434 29.700 -0.011 0.000 0.818 77 E HN 0.391 nan 8.360 nan 0.000 0.527 78 N N 0.646 119.339 118.700 -0.011 0.000 2.187 78 N HA 0.070 4.771 4.740 -0.066 0.000 0.212 78 N C 1.434 176.942 175.510 -0.003 0.000 1.152 78 N CA 0.078 53.123 53.050 -0.007 0.000 0.872 78 N CB 1.013 39.494 38.487 -0.011 0.000 1.025 78 N HN 0.001 nan 8.380 nan 0.000 0.514 79 V N 1.227 121.139 119.914 -0.004 0.000 2.407 79 V HA -0.173 3.907 4.120 -0.066 0.000 0.248 79 V C 2.426 178.530 176.094 0.016 0.000 1.055 79 V CA 1.368 63.672 62.300 0.006 0.000 1.049 79 V CB -0.223 31.604 31.823 0.007 0.000 0.662 79 V HN 0.251 nan 8.190 nan 0.000 0.455 80 R N 0.145 120.648 120.500 0.006 0.000 2.083 80 R HA -0.143 4.158 4.340 -0.066 0.000 0.237 80 R C 2.354 178.656 176.300 0.003 0.000 1.137 80 R CA 2.021 58.122 56.100 0.001 0.000 0.951 80 R CB -1.217 29.079 30.300 -0.007 0.000 0.851 80 R HN 0.510 nan 8.270 nan 0.000 0.434 81 T N 2.202 116.762 114.554 0.010 0.000 2.777 81 T HA -0.107 4.203 4.350 -0.066 0.000 0.266 81 T C 1.877 176.600 174.700 0.038 0.000 1.040 81 T CA 0.953 63.065 62.100 0.020 0.000 1.141 81 T CB -0.259 68.624 68.868 0.025 0.000 0.868 81 T HN 0.093 nan 8.240 nan 0.000 0.444 82 L N 1.406 122.660 121.223 0.052 0.000 1.989 82 L HA -0.153 4.148 4.340 -0.066 0.000 0.211 82 L C 2.390 179.374 176.870 0.190 0.000 1.071 82 L CA 1.852 56.758 54.840 0.110 0.000 0.749 82 L CB -0.631 41.459 42.059 0.052 0.000 0.890 82 L HN 0.247 nan 8.230 nan 0.000 0.431 83 Q N -0.840 119.031 119.800 0.118 0.000 2.230 83 Q HA -0.056 4.245 4.340 -0.066 0.000 0.202 83 Q C 2.209 178.168 176.000 -0.068 0.000 0.963 83 Q CA 1.082 56.928 55.803 0.072 0.000 0.866 83 Q CB -0.262 28.509 28.738 0.055 0.000 0.931 83 Q HN 0.707 nan 8.270 nan 0.000 0.452 84 A N 1.834 124.596 122.820 -0.097 0.000 1.898 84 A HA -0.169 4.112 4.320 -0.066 0.000 0.216 84 A C 1.743 179.060 177.584 -0.445 0.000 1.181 84 A CA 1.336 53.210 52.037 -0.271 0.000 0.620 84 A CB -0.296 18.590 19.000 -0.190 0.000 0.819 84 A HN 0.253 nan 8.150 nan 0.000 0.442 85 N N -0.272 118.345 118.700 -0.139 0.000 2.396 85 N HA -0.070 4.631 4.740 -0.066 0.000 0.180 85 N C 1.483 177.027 175.510 0.057 0.000 1.028 85 N CA 1.017 54.085 53.050 0.030 0.000 0.893 85 N CB -0.383 38.201 38.487 0.162 0.000 0.967 85 N HN 0.462 nan 8.380 nan 0.000 0.440 86 L N 0.703 121.887 121.223 -0.066 0.000 1.994 86 L HA -0.064 4.236 4.340 -0.066 0.000 0.208 86 L C 1.878 178.442 176.870 -0.510 0.000 1.071 86 L CA 1.456 56.083 54.840 -0.355 0.000 0.745 86 L CB -0.719 40.965 42.059 -0.626 0.000 0.892 86 L HN -0.126 nan 8.230 nan 0.000 0.431 87 V N -0.188 119.503 119.914 -0.371 0.000 2.407 87 V HA -0.333 3.748 4.120 -0.066 0.000 0.248 87 V C 2.407 178.358 176.094 -0.238 0.000 1.055 87 V CA 2.203 64.306 62.300 -0.328 0.000 1.049 87 V CB -1.024 30.632 31.823 -0.280 0.000 0.662 87 V HN 0.626 nan 8.190 nan 0.000 0.455 88 H N -0.356 118.604 119.070 -0.182 0.000 2.293 88 H HA -0.180 4.337 4.556 -0.066 0.000 0.300 88 H C 2.371 177.632 175.328 -0.113 0.000 1.082 88 H CA 1.676 57.651 56.048 -0.121 0.000 1.308 88 H CB -0.223 29.518 29.762 -0.036 0.000 1.375 88 H HN 0.661 nan 8.280 nan 0.000 0.495 89 H N 0.591 119.688 119.070 0.045 0.000 2.491 89 H HA -0.052 4.465 4.556 -0.066 0.000 0.290 89 H C 1.832 177.133 175.328 -0.045 0.000 1.050 89 H CA 0.859 56.905 56.048 -0.003 0.000 1.309 89 H CB -0.231 29.534 29.762 0.004 0.000 1.392 89 H HN 0.335 nan 8.280 nan 0.000 0.554 90 L N 0.897 121.811 121.223 -0.515 0.000 2.418 90 L HA 0.151 4.452 4.340 -0.066 0.000 0.218 90 L C 1.917 178.648 176.870 -0.232 0.000 1.125 90 L CA 0.360 54.977 54.840 -0.373 0.000 0.835 90 L CB -0.039 41.730 42.059 -0.484 0.000 0.953 90 L HN 0.255 nan 8.230 nan 0.000 0.454 91 A N 0.133 122.779 122.820 -0.289 0.000 3.029 91 A HA 0.144 4.425 4.320 -0.066 0.000 0.251 91 A C 1.239 178.757 177.584 -0.111 0.000 1.749 91 A CA 0.297 52.030 52.037 -0.506 0.000 1.386 91 A CB -0.668 17.983 19.000 -0.581 0.000 1.043 91 A HN 0.362 nan 8.150 nan 0.000 0.638 92 S N -0.574 115.167 115.700 0.068 0.000 2.575 92 S HA 0.373 4.804 4.470 -0.066 0.000 0.237 92 S C 0.875 175.578 174.600 0.172 0.000 0.975 92 S CA 0.074 58.346 58.200 0.119 0.000 0.960 92 S CB 0.052 63.292 63.200 0.067 0.000 0.822 92 S HN 0.751 nan 8.310 nan 0.000 0.472 93 G N 1.514 110.530 108.800 0.360 0.000 2.544 93 G HA2 0.501 4.421 3.960 -0.066 0.000 0.242 93 G HA3 0.501 4.421 3.960 -0.066 0.000 0.242 93 G C -0.133 174.743 174.900 -0.040 0.000 1.247 93 G CA 0.102 45.252 45.100 0.084 0.000 0.840 93 G HN 1.028 nan 8.290 nan 0.000 0.578 94 V N -0.950 118.931 119.914 -0.055 0.000 3.182 94 V HA 1.034 5.114 4.120 -0.066 0.000 0.308 94 V C 0.562 176.621 176.094 -0.058 0.000 1.240 94 V CA -0.098 62.171 62.300 -0.052 0.000 1.063 94 V CB 1.108 32.921 31.823 -0.017 0.000 1.076 94 V HN 2.554 nan 8.190 nan 0.000 0.446 95 G N 0.503 109.277 108.800 -0.044 0.000 2.712 95 G HA2 0.069 3.990 3.960 -0.066 0.000 0.683 95 G HA3 0.069 3.990 3.960 -0.066 0.000 0.683 95 G C -2.753 172.123 174.900 -0.041 0.000 1.320 95 G CA -0.305 44.774 45.100 -0.035 0.000 0.847 95 G HN 1.127 nan 8.290 nan 0.000 0.553 96 P HA 0.398 nan 4.420 nan 0.000 0.267 96 P C 0.865 178.147 177.300 -0.030 0.000 1.200 96 P CA 0.458 63.547 63.100 -0.020 0.000 0.772 96 P CB 0.775 32.472 31.700 -0.004 0.000 0.855 97 V N 1.390 121.287 119.914 -0.028 0.000 3.051 97 V HA 0.163 4.244 4.120 -0.066 0.000 0.306 97 V C 0.686 176.774 176.094 -0.010 0.000 1.083 97 V CA -0.689 61.590 62.300 -0.036 0.000 1.104 97 V CB -0.480 31.326 31.823 -0.028 0.000 1.027 97 V HN 0.301 nan 8.190 nan 0.000 0.483 98 L N 2.692 123.906 121.223 -0.015 0.000 2.461 98 L HA 0.253 4.554 4.340 -0.066 0.000 0.272 98 L C 0.623 177.514 176.870 0.035 0.000 1.197 98 L CA -0.263 54.580 54.840 0.005 0.000 0.836 98 L CB 0.235 42.287 42.059 -0.011 0.000 1.105 98 L HN 1.030 nan 8.230 nan 0.000 0.477 99 D N 0.278 120.715 120.400 0.061 0.000 2.361 99 D HA -0.131 4.469 4.640 -0.066 0.000 0.239 99 D C 0.733 177.125 176.300 0.154 0.000 1.200 99 D CA -0.369 53.700 54.000 0.115 0.000 0.915 99 D CB 0.493 41.367 40.800 0.123 0.000 1.170 99 D HN 0.556 nan 8.370 nan 0.000 0.444 100 W N 1.274 122.579 121.300 0.008 0.000 2.290 100 W HA -0.308 4.312 4.660 -0.067 0.000 0.328 100 W C 2.207 178.721 176.519 -0.008 0.000 1.272 100 W CA 3.009 60.359 57.345 0.007 0.000 1.262 100 W CB -0.844 28.622 29.460 0.011 0.000 1.151 100 W HN 0.455 nan 8.180 nan 0.000 0.473 101 T N -0.358 114.327 114.554 0.217 0.000 2.746 101 T HA -0.214 4.097 4.350 -0.066 0.000 0.267 101 T C 1.565 176.196 174.700 -0.115 0.000 1.039 101 T CA 2.327 64.411 62.100 -0.027 0.000 1.142 101 T CB -0.922 68.012 68.868 0.110 0.000 0.866 101 T HN 0.190 nan 8.240 nan 0.000 0.444 102 T N 1.976 116.518 114.554 -0.020 0.000 2.777 102 T HA 0.024 4.335 4.350 -0.066 0.000 0.266 102 T C 2.439 177.096 174.700 -0.071 0.000 1.040 102 T CA 1.089 63.174 62.100 -0.025 0.000 1.141 102 T CB -0.541 68.340 68.868 0.022 0.000 0.868 102 T HN 0.430 nan 8.240 nan 0.000 0.444 103 A N 1.747 124.514 122.820 -0.087 0.000 1.933 103 A HA -0.113 4.168 4.320 -0.066 0.000 0.218 103 A C 2.372 179.857 177.584 -0.165 0.000 1.175 103 A CA 1.414 53.386 52.037 -0.108 0.000 0.628 103 A CB -0.463 18.478 19.000 -0.099 0.000 0.814 103 A HN 0.402 nan 8.150 nan 0.000 0.444 104 R N -0.632 119.704 120.500 -0.272 0.000 2.115 104 R HA 0.022 4.322 4.340 -0.066 0.000 0.226 104 R C 2.396 178.567 176.300 -0.215 0.000 1.100 104 R CA 0.999 56.911 56.100 -0.313 0.000 0.980 104 R CB -0.383 29.585 30.300 -0.552 0.000 0.875 104 R HN 0.504 nan 8.270 nan 0.000 0.445 105 A N 1.072 123.783 122.820 -0.181 0.000 1.972 105 A HA -0.179 4.102 4.320 -0.066 0.000 0.219 105 A C 2.097 179.629 177.584 -0.088 0.000 1.169 105 A CA 1.237 53.200 52.037 -0.123 0.000 0.635 105 A CB -0.419 18.532 19.000 -0.082 0.000 0.810 105 A HN 0.320 nan 8.150 nan 0.000 0.446 106 M N -0.320 119.231 119.600 -0.082 0.000 2.099 106 M HA -0.111 4.329 4.480 -0.066 0.000 0.262 106 M C 1.876 178.139 176.300 -0.063 0.000 1.067 106 M CA 1.906 57.170 55.300 -0.059 0.000 1.124 106 M CB -0.215 32.354 32.600 -0.053 0.000 1.353 106 M HN 0.189 nan 8.290 nan 0.000 0.410 107 V N 1.119 120.985 119.914 -0.080 0.000 2.332 107 V HA -0.279 3.801 4.120 -0.066 0.000 0.248 107 V C 2.423 178.476 176.094 -0.067 0.000 1.055 107 V CA 1.762 64.019 62.300 -0.071 0.000 1.038 107 V CB -0.973 30.799 31.823 -0.084 0.000 0.651 107 V HN 0.585 nan 8.190 nan 0.000 0.450 108 L N 0.938 122.111 121.223 -0.083 0.000 2.046 108 L HA -0.077 4.224 4.340 -0.066 0.000 0.208 108 L C 2.451 179.284 176.870 -0.061 0.000 1.077 108 L CA 2.356 57.151 54.840 -0.076 0.000 0.747 108 L CB -1.006 40.998 42.059 -0.092 0.000 0.896 108 L HN 0.215 nan 8.230 nan 0.000 0.432 109 A N -0.395 122.390 122.820 -0.058 0.000 1.908 109 A HA -0.273 4.008 4.320 -0.066 0.000 0.218 109 A C 2.472 180.033 177.584 -0.038 0.000 1.181 109 A CA 1.909 53.917 52.037 -0.048 0.000 0.627 109 A CB -0.625 18.350 19.000 -0.041 0.000 0.818 109 A HN 0.486 nan 8.150 nan 0.000 0.445 110 R N -0.697 119.783 120.500 -0.034 0.000 2.075 110 R HA -0.073 4.227 4.340 -0.066 0.000 0.232 110 R C 1.942 178.229 176.300 -0.022 0.000 1.126 110 R CA 1.533 57.619 56.100 -0.023 0.000 0.963 110 R CB -0.660 29.627 30.300 -0.022 0.000 0.858 110 R HN 0.443 nan 8.270 nan 0.000 0.435 111 L N -0.118 121.086 121.223 -0.030 0.000 2.046 111 L HA -0.101 4.200 4.340 -0.066 0.000 0.208 111 L C 1.898 178.751 176.870 -0.028 0.000 1.077 111 L CA 1.625 56.447 54.840 -0.028 0.000 0.747 111 L CB -0.471 41.567 42.059 -0.036 0.000 0.896 111 L HN 0.069 nan 8.230 nan 0.000 0.432 112 V N -1.060 118.831 119.914 -0.037 0.000 2.407 112 V HA -0.266 3.815 4.120 -0.066 0.000 0.248 112 V C 2.758 178.835 176.094 -0.029 0.000 1.055 112 V CA 1.771 64.047 62.300 -0.040 0.000 1.049 112 V CB -0.840 30.948 31.823 -0.059 0.000 0.662 112 V HN 0.645 nan 8.190 nan 0.000 0.455 113 S N -0.232 115.453 115.700 -0.024 0.000 2.355 113 S HA -0.139 4.292 4.470 -0.066 0.000 0.222 113 S C 1.946 176.545 174.600 -0.002 0.000 1.031 113 S CA 1.629 59.821 58.200 -0.014 0.000 0.993 113 S CB -0.349 62.845 63.200 -0.010 0.000 0.859 113 S HN 0.516 nan 8.310 nan 0.000 0.453 114 I N 1.816 122.386 120.570 0.000 0.000 2.264 114 I HA -0.184 3.947 4.170 -0.066 0.000 0.248 114 I C 2.686 178.806 176.117 0.006 0.000 1.111 114 I CA 1.121 62.426 61.300 0.010 0.000 1.382 114 I CB -0.485 37.517 38.000 0.005 0.000 1.060 114 I HN 0.389 nan 8.210 nan 0.000 0.418 115 A N -0.006 122.812 122.820 -0.004 0.000 2.125 115 A HA -0.190 4.091 4.320 -0.066 0.000 0.219 115 A C 2.077 179.662 177.584 0.002 0.000 1.156 115 A CA 1.131 53.165 52.037 -0.004 0.000 0.671 115 A CB -0.311 18.682 19.000 -0.011 0.000 0.794 115 A HN 0.406 nan 8.150 nan 0.000 0.459 116 Q N -1.103 118.700 119.800 0.005 0.000 2.436 116 Q HA 0.083 4.384 4.340 -0.066 0.000 0.209 116 Q C 1.208 177.218 176.000 0.017 0.000 0.965 116 Q CA 0.771 56.579 55.803 0.009 0.000 0.910 116 Q CB -0.545 28.196 28.738 0.005 0.000 0.980 116 Q HN 1.034 nan 8.270 nan 0.000 0.491 117 G N 0.511 109.324 108.800 0.022 0.000 2.212 117 G HA2 -0.197 3.724 3.960 -0.066 0.000 0.255 117 G HA3 -0.197 3.724 3.960 -0.066 0.000 0.255 117 G C 0.449 175.384 174.900 0.058 0.000 1.062 117 G CA 0.412 45.531 45.100 0.032 0.000 0.815 117 G HN 0.525 nan 8.290 nan 0.000 0.497 118 A N -1.082 121.784 122.820 0.076 0.000 2.635 118 A HA 0.717 4.998 4.320 -0.066 0.000 0.279 118 A C 1.639 179.345 177.584 0.204 0.000 1.122 118 A CA 1.366 53.475 52.037 0.120 0.000 0.965 118 A CB 0.271 19.302 19.000 0.052 0.000 1.221 118 A HN 0.785 nan 8.150 nan 0.000 0.566 119 S N -1.089 114.725 115.700 0.190 0.000 2.502 119 S HA 0.365 4.796 4.470 -0.066 0.000 0.215 119 S C 1.548 176.326 174.600 0.297 0.000 1.009 119 S CA 0.725 59.066 58.200 0.235 0.000 0.908 119 S CB 0.418 63.687 63.200 0.115 0.000 0.801 119 S HN 1.677 nan 8.310 nan 0.000 0.505 120 G N 1.870 110.763 108.800 0.154 0.000 2.162 120 G HA2 -0.236 3.685 3.960 -0.066 0.000 0.260 120 G HA3 -0.236 3.685 3.960 -0.066 0.000 0.260 120 G C 0.228 175.109 174.900 -0.033 0.000 0.976 120 G CA 0.025 45.102 45.100 -0.038 0.000 0.655 120 G HN 0.897 nan 8.290 nan 0.000 0.533 121 A N 0.472 123.296 122.820 0.005 0.000 2.511 121 A HA 0.604 4.885 4.320 -0.066 0.000 0.242 121 A C 1.157 178.694 177.584 -0.078 0.000 1.069 121 A CA 1.035 53.059 52.037 -0.022 0.000 0.763 121 A CB 0.183 19.179 19.000 -0.006 0.000 1.001 121 A HN 2.031 nan 8.150 nan 0.000 0.498 122 S N 1.822 117.442 115.700 -0.134 0.000 2.614 122 S HA 0.169 4.599 4.470 -0.066 0.000 0.265 122 S C 0.752 175.247 174.600 -0.175 0.000 1.303 122 S CA 0.098 58.145 58.200 -0.254 0.000 1.000 122 S CB 0.686 63.548 63.200 -0.563 0.000 0.935 122 S HN 0.719 nan 8.310 nan 0.000 0.551 123 E N 1.583 121.678 120.200 -0.175 0.000 2.118 123 E HA -0.133 4.178 4.350 -0.066 0.000 0.195 123 E C 2.129 178.680 176.600 -0.081 0.000 0.992 123 E CA 1.255 57.593 56.400 -0.102 0.000 0.804 123 E CB -0.765 28.885 29.700 -0.083 0.000 0.741 123 E HN 0.905 nan 8.360 nan 0.000 0.458 124 G N 0.578 109.318 108.800 -0.100 0.000 2.418 124 G HA2 -0.262 3.659 3.960 -0.066 0.000 0.217 124 G HA3 -0.262 3.659 3.960 -0.066 0.000 0.217 124 G C 1.638 176.518 174.900 -0.033 0.000 1.158 124 G CA 1.273 46.344 45.100 -0.048 0.000 0.771 124 G HN 0.185 nan 8.290 nan 0.000 0.545 125 T N 1.371 115.897 114.554 -0.047 0.000 2.708 125 T HA -0.066 4.245 4.350 -0.066 0.000 0.266 125 T C 2.384 177.071 174.700 -0.022 0.000 1.037 125 T CA 1.039 63.124 62.100 -0.025 0.000 1.146 125 T CB -0.174 68.678 68.868 -0.027 0.000 0.865 125 T HN 0.244 nan 8.240 nan 0.000 0.435 126 I N 1.264 121.814 120.570 -0.033 0.000 2.226 126 I HA -0.182 3.949 4.170 -0.066 0.000 0.245 126 I C 2.886 178.991 176.117 -0.021 0.000 1.100 126 I CA 1.065 62.349 61.300 -0.026 0.000 1.374 126 I CB -0.458 37.523 38.000 -0.031 0.000 1.057 126 I HN 0.195 nan 8.210 nan 0.000 0.413 127 A N 0.686 123.493 122.820 -0.022 0.000 1.933 127 A HA -0.172 4.109 4.320 -0.066 0.000 0.218 127 A C 2.319 179.899 177.584 -0.007 0.000 1.175 127 A CA 1.248 53.276 52.037 -0.015 0.000 0.628 127 A CB -0.373 18.618 19.000 -0.015 0.000 0.814 127 A HN 0.244 nan 8.150 nan 0.000 0.444 128 R N -0.219 120.279 120.500 -0.002 0.000 2.092 128 R HA 0.003 4.304 4.340 -0.066 0.000 0.231 128 R C 1.978 178.285 176.300 0.011 0.000 1.119 128 R CA 1.063 57.169 56.100 0.011 0.000 0.970 128 R CB -0.917 29.395 30.300 0.020 0.000 0.864 128 R HN 0.601 nan 8.270 nan 0.000 0.440 129 L N -0.017 121.205 121.223 -0.002 0.000 2.072 129 L HA -0.051 4.249 4.340 -0.066 0.000 0.205 129 L C 2.438 179.297 176.870 -0.018 0.000 1.079 129 L CA 0.988 55.822 54.840 -0.010 0.000 0.752 129 L CB -0.419 41.628 42.059 -0.019 0.000 0.906 129 L HN 0.053 nan 8.230 nan 0.000 0.436 130 I N 0.040 120.599 120.570 -0.018 0.000 2.226 130 I HA -0.279 3.852 4.170 -0.066 0.000 0.245 130 I C 2.105 178.213 176.117 -0.016 0.000 1.100 130 I CA 1.186 62.474 61.300 -0.021 0.000 1.374 130 I CB -0.371 37.618 38.000 -0.018 0.000 1.057 130 I HN 0.253 nan 8.210 nan 0.000 0.413 131 D N 0.774 121.169 120.400 -0.009 0.000 2.123 131 D HA -0.181 4.420 4.640 -0.066 0.000 0.196 131 D C 2.118 178.415 176.300 -0.006 0.000 0.992 131 D CA 0.961 54.957 54.000 -0.007 0.000 0.833 131 D CB -0.317 40.481 40.800 -0.005 0.000 0.954 131 D HN 0.164 nan 8.370 nan 0.000 0.455 132 L N 0.696 121.921 121.223 0.003 0.000 2.017 132 L HA -0.122 4.178 4.340 -0.066 0.000 0.208 132 L C 2.110 178.965 176.870 -0.025 0.000 1.073 132 L CA 1.363 56.210 54.840 0.013 0.000 0.745 132 L CB -0.855 41.229 42.059 0.041 0.000 0.894 132 L HN 0.093 nan 8.230 nan 0.000 0.432 133 L N 0.174 121.368 121.223 -0.047 0.000 2.131 133 L HA -0.195 4.105 4.340 -0.066 0.000 0.210 133 L C 1.866 178.708 176.870 -0.047 0.000 1.092 133 L CA 0.879 55.672 54.840 -0.079 0.000 0.759 133 L CB -0.547 41.465 42.059 -0.078 0.000 0.903 133 L HN 0.364 nan 8.230 nan 0.000 0.435 134 N N -0.467 118.220 118.700 -0.021 0.000 2.398 134 N HA -0.011 4.690 4.740 -0.066 0.000 0.188 134 N C 0.825 176.346 175.510 0.019 0.000 1.122 134 N CA 0.336 53.385 53.050 -0.001 0.000 0.866 134 N CB 0.156 38.641 38.487 -0.003 0.000 0.970 134 N HN 0.337 nan 8.380 nan 0.000 0.462 135 S N -0.157 115.556 115.700 0.022 0.000 2.694 135 S HA 0.310 4.741 4.470 -0.066 0.000 0.278 135 S C 0.748 175.422 174.600 0.124 0.000 1.152 135 S CA -0.486 57.740 58.200 0.045 0.000 1.010 135 S CB 1.551 64.761 63.200 0.016 0.000 1.104 135 S HN -0.096 nan 8.310 nan 0.000 0.547 136 E N 0.081 120.379 120.200 0.165 0.000 2.444 136 E HA 0.352 4.662 4.350 -0.066 0.000 0.191 136 E C -0.109 176.799 176.600 0.514 0.000 1.041 136 E CA 0.003 56.595 56.400 0.320 0.000 0.883 136 E CB -0.201 29.592 29.700 0.154 0.000 1.024 136 E HN 0.509 nan 8.360 nan 0.000 0.470 137 L N -0.266 121.168 121.223 0.350 0.000 2.335 137 L HA 0.773 5.073 4.340 -0.066 0.000 0.268 137 L C -0.017 176.969 176.870 0.194 0.000 1.016 137 L CA -1.128 53.950 54.840 0.396 0.000 0.805 137 L CB 1.494 43.662 42.059 0.182 0.000 1.311 137 L HN -0.183 nan 8.230 nan 0.000 0.456 138 A N 0.717 123.676 122.820 0.232 0.000 2.549 138 A HA 0.791 5.071 4.320 -0.066 0.000 0.297 138 A C -2.828 174.833 177.584 0.128 0.000 1.061 138 A CA -1.346 50.679 52.037 -0.020 0.000 0.690 138 A CB 1.842 20.634 19.000 -0.346 0.000 1.287 138 A HN 0.368 nan 8.150 nan 0.000 0.402 139 P HA 0.377 nan 4.420 nan 0.000 0.275 139 P C -0.314 176.891 177.300 -0.158 0.000 1.228 139 P CA 0.096 63.038 63.100 -0.263 0.000 0.786 139 P CB 1.268 32.819 31.700 -0.249 0.000 0.927 140 A N 3.361 126.063 122.820 -0.196 0.000 2.391 140 A HA 0.495 4.776 4.320 -0.066 0.000 0.316 140 A C 0.225 177.738 177.584 -0.119 0.000 1.381 140 A CA -0.483 51.497 52.037 -0.096 0.000 0.998 140 A CB -0.455 18.509 19.000 -0.061 0.000 1.147 140 A HN 0.437 nan 8.150 nan 0.000 0.545 141 V N 1.106 120.956 119.914 -0.107 0.000 2.540 141 V HA 0.742 4.822 4.120 -0.066 0.000 0.302 141 V C -2.758 173.231 176.094 -0.176 0.000 1.035 141 V CA -2.624 59.589 62.300 -0.144 0.000 0.873 141 V CB 1.758 33.529 31.823 -0.085 0.000 0.992 141 V HN 0.651 nan 8.190 nan 0.000 0.428 142 P HA 0.110 nan 4.420 nan 0.000 0.268 142 P C 0.834 178.049 177.300 -0.142 0.000 1.205 142 P CA 0.403 63.361 63.100 -0.237 0.000 0.771 142 P CB 1.346 32.832 31.700 -0.356 0.000 0.858 143 S N 2.761 118.412 115.700 -0.082 0.000 2.461 143 S HA 0.010 4.441 4.470 -0.066 0.000 0.228 143 S C 0.857 175.439 174.600 -0.029 0.000 1.005 143 S CA 0.152 58.327 58.200 -0.043 0.000 0.942 143 S CB -0.112 63.075 63.200 -0.021 0.000 0.776 143 S HN 0.419 nan 8.310 nan 0.000 0.514 144 R N -0.219 120.260 120.500 -0.035 0.000 2.720 144 R HA 0.637 4.938 4.340 -0.066 0.000 0.272 144 R C 0.813 177.109 176.300 -0.008 0.000 0.991 144 R CA -0.034 56.057 56.100 -0.015 0.000 1.010 144 R CB 1.514 31.807 30.300 -0.011 0.000 1.141 144 R HN 0.320 nan 8.270 nan 0.000 0.494 145 G N 0.145 108.951 108.800 0.009 0.000 3.006 145 G HA2 -0.214 3.707 3.960 -0.066 0.000 0.195 145 G HA3 -0.214 3.707 3.960 -0.066 0.000 0.195 145 G C 0.105 175.021 174.900 0.026 0.000 1.034 145 G CA -0.112 45.002 45.100 0.023 0.000 0.807 145 G HN 0.596 nan 8.290 nan 0.000 0.469 146 T N 0.939 115.506 114.554 0.022 0.000 2.909 146 T HA 0.514 4.825 4.350 -0.066 0.000 0.286 146 T C 1.479 176.195 174.700 0.026 0.000 1.002 146 T CA 0.524 62.637 62.100 0.021 0.000 1.074 146 T CB 1.585 70.463 68.868 0.017 0.000 0.984 146 T HN 1.168 nan 8.240 nan 0.000 0.495 147 V N 1.370 121.302 119.914 0.029 0.000 3.542 147 V HA 0.602 4.683 4.120 -0.066 0.000 0.296 147 V C 1.120 177.243 176.094 0.049 0.000 1.364 147 V CA 0.218 62.542 62.300 0.039 0.000 1.118 147 V CB -1.282 30.566 31.823 0.041 0.000 0.972 147 V HN 1.349 nan 8.190 nan 0.000 0.430 153 L N -0.345 120.851 121.223 -0.046 0.000 2.046 153 L HA -0.121 4.179 4.340 -0.066 0.000 0.208 153 L C 2.346 179.171 176.870 -0.074 0.000 1.077 153 L CA 1.359 56.151 54.840 -0.080 0.000 0.747 153 L CB -0.619 41.368 42.059 -0.119 0.000 0.896 153 L HN 0.088 nan 8.230 nan 0.000 0.432 154 T N 0.592 115.126 114.554 -0.034 0.000 2.622 154 T HA -0.093 4.218 4.350 -0.066 0.000 0.266 154 T C -0.419 174.346 174.700 0.107 0.000 1.047 154 T CA 1.753 63.863 62.100 0.017 0.000 1.159 154 T CB -1.169 67.733 68.868 0.057 0.000 0.863 154 T HN 0.307 nan 8.240 nan 0.000 0.422 155 P HA 0.017 nan 4.420 nan 0.000 0.218 155 P C 1.570 178.898 177.300 0.046 0.000 1.149 155 P CA 0.979 64.123 63.100 0.073 0.000 0.817 155 P CB -0.230 31.478 31.700 0.013 0.000 0.785 156 L N -0.723 120.499 121.223 -0.002 0.000 2.156 156 L HA -0.067 4.233 4.340 -0.066 0.000 0.208 156 L C 2.762 179.598 176.870 -0.057 0.000 1.095 156 L CA 1.235 56.056 54.840 -0.031 0.000 0.770 156 L CB -0.997 41.037 42.059 -0.041 0.000 0.914 156 L HN -0.057 nan 8.230 nan 0.000 0.439 157 A N -0.912 121.853 122.820 -0.092 0.000 1.898 157 A HA -0.212 4.069 4.320 -0.066 0.000 0.216 157 A C 2.126 179.606 177.584 -0.174 0.000 1.181 157 A CA 1.218 53.150 52.037 -0.175 0.000 0.620 157 A CB -0.690 18.149 19.000 -0.267 0.000 0.819 157 A HN 0.393 nan 8.150 nan 0.000 0.442 158 H N -1.145 117.872 119.070 -0.088 0.000 2.387 158 H HA -0.097 4.420 4.556 -0.065 0.000 0.299 158 H C 2.085 177.347 175.328 -0.111 0.000 1.090 158 H CA 1.749 57.745 56.048 -0.087 0.000 1.332 158 H CB -0.250 29.464 29.762 -0.080 0.000 1.386 158 H HN 0.598 nan 8.280 nan 0.000 0.516 159 M N 0.562 120.165 119.600 0.005 0.000 2.117 159 M HA -0.150 4.290 4.480 -0.066 0.000 0.262 159 M C 2.108 178.364 176.300 -0.073 0.000 1.065 159 M CA 1.298 56.562 55.300 -0.060 0.000 1.114 159 M CB -0.121 32.448 32.600 -0.051 0.000 1.361 159 M HN -0.008 nan 8.290 nan 0.000 0.408 160 V N 1.362 121.237 119.914 -0.065 0.000 2.287 160 V HA -0.312 3.769 4.120 -0.066 0.000 0.248 160 V C 2.454 178.516 176.094 -0.054 0.000 1.053 160 V CA 1.894 64.158 62.300 -0.059 0.000 1.027 160 V CB -0.784 30.991 31.823 -0.079 0.000 0.646 160 V HN 0.548 nan 8.190 nan 0.000 0.447 161 L N -0.875 120.308 121.223 -0.067 0.000 2.042 161 L HA -0.237 4.063 4.340 -0.066 0.000 0.210 161 L C 2.669 179.508 176.870 -0.052 0.000 1.076 161 L CA 1.721 56.535 54.840 -0.044 0.000 0.749 161 L CB -0.793 41.240 42.059 -0.045 0.000 0.893 161 L HN 0.407 nan 8.230 nan 0.000 0.432 162 C N -0.095 119.129 119.300 -0.126 0.000 2.413 162 C HA -0.164 4.257 4.460 -0.066 0.000 0.276 162 C C 2.680 177.584 174.990 -0.142 0.000 1.236 162 C CA 0.486 59.322 59.018 -0.304 0.000 1.735 162 C CB -0.884 26.513 27.740 -0.573 0.000 2.031 162 C HN 0.442 nan 8.230 nan 0.000 0.474 163 L N 0.323 121.528 121.223 -0.029 0.000 2.353 163 L HA -0.169 4.131 4.340 -0.066 0.000 0.220 163 L C 2.405 179.355 176.870 0.132 0.000 1.133 163 L CA 1.260 56.182 54.840 0.136 0.000 0.798 163 L CB -0.647 41.456 42.059 0.072 0.000 0.922 163 L HN 0.538 nan 8.230 nan 0.000 0.445 164 Q N -0.425 119.421 119.800 0.078 0.000 2.360 164 Q HA 0.126 4.427 4.340 -0.066 0.000 0.202 164 Q C 1.346 177.402 176.000 0.095 0.000 0.915 164 Q CA 0.507 56.352 55.803 0.070 0.000 0.943 164 Q CB 0.659 29.419 28.738 0.036 0.000 1.064 164 Q HN 0.544 nan 8.270 nan 0.000 0.511 165 G N 1.752 110.640 108.800 0.147 0.000 2.141 165 G HA2 -0.300 3.621 3.960 -0.066 0.000 0.242 165 G HA3 -0.300 3.621 3.960 -0.066 0.000 0.242 165 G C 0.514 175.481 174.900 0.112 0.000 0.982 165 G CA 0.029 45.234 45.100 0.175 0.000 0.662 165 G HN 0.309 nan 8.290 nan 0.000 0.527 166 R N 0.069 120.610 120.500 0.068 0.000 2.552 166 R HA 0.475 4.775 4.340 -0.066 0.000 0.314 166 R C 0.973 177.285 176.300 0.020 0.000 1.041 166 R CA 0.486 56.613 56.100 0.044 0.000 1.076 166 R CB 0.855 31.178 30.300 0.040 0.000 1.290 166 R HN 0.533 nan 8.270 nan 0.000 0.563 167 G N -0.299 108.499 108.800 -0.004 0.000 2.704 167 G HA2 0.232 4.153 3.960 -0.066 0.000 0.293 167 G HA3 0.232 4.153 3.960 -0.066 0.000 0.293 167 G C -1.472 173.368 174.900 -0.100 0.000 1.421 167 G CA -0.667 44.401 45.100 -0.054 0.000 0.870 167 G HN -0.126 nan 8.290 nan 0.000 0.492 168 D N -0.511 119.840 120.400 -0.081 0.000 2.360 168 D HA 0.570 5.170 4.640 -0.066 0.000 0.242 168 D C -0.470 175.720 176.300 -0.182 0.000 1.184 168 D CA 0.563 54.549 54.000 -0.024 0.000 0.930 168 D CB 0.835 41.645 40.800 0.016 0.000 1.161 168 D HN 0.106 nan 8.370 nan 0.000 0.447 169 F N -0.685 119.291 119.950 0.043 0.000 2.611 169 F HA 0.530 5.017 4.527 -0.066 0.000 0.324 169 F C -0.229 175.619 175.800 0.081 0.000 1.061 169 F CA -0.892 57.142 58.000 0.058 0.000 0.954 169 F CB 1.236 40.270 39.000 0.058 0.000 1.301 169 F HN -0.065 nan 8.300 nan 0.000 0.482 170 L N 1.584 123.014 121.223 0.345 0.000 2.381 170 L HA 0.438 4.739 4.340 -0.066 0.000 0.268 170 L C -0.991 176.108 176.870 0.382 0.000 0.997 170 L CA -1.036 53.983 54.840 0.298 0.000 0.818 170 L CB 1.897 44.131 42.059 0.292 0.000 1.310 170 L HN 0.589 nan 8.230 nan 0.000 0.416 171 D N 1.289 121.805 120.400 0.194 0.000 2.466 171 D HA 0.217 4.817 4.640 -0.066 0.000 0.262 171 D C 0.789 176.897 176.300 -0.321 0.000 1.177 171 D CA -0.622 53.408 54.000 0.051 0.000 1.035 171 D CB 0.894 41.682 40.800 -0.019 0.000 1.105 171 D HN 0.344 nan 8.370 nan 0.000 0.551 172 R N -0.650 119.393 120.500 -0.761 0.000 2.170 172 R HA -0.118 4.183 4.340 -0.066 0.000 0.242 172 R C 0.545 176.493 176.300 -0.587 0.000 1.145 172 R CA 1.490 56.821 56.100 -1.280 0.000 0.984 172 R CB -0.140 29.545 30.300 -1.026 0.000 0.869 172 R HN 0.517 nan 8.270 nan 0.000 0.455 173 D N -1.308 118.907 120.400 -0.309 0.000 2.340 173 D HA 0.070 4.670 4.640 -0.066 0.000 0.220 173 D C 1.176 177.434 176.300 -0.071 0.000 1.039 173 D CA 0.900 54.806 54.000 -0.156 0.000 0.866 173 D CB 0.778 41.512 40.800 -0.109 0.000 0.913 173 D HN 0.437 nan 8.370 nan 0.000 0.523 174 G N 1.436 110.212 108.800 -0.041 0.000 2.176 174 G HA2 -0.284 3.637 3.960 -0.066 0.000 0.253 174 G HA3 -0.284 3.637 3.960 -0.066 0.000 0.253 174 G C 0.677 175.600 174.900 0.040 0.000 0.979 174 G CA 0.526 45.648 45.100 0.037 0.000 0.641 174 G HN 0.441 nan 8.290 nan 0.000 0.530 175 T N -0.457 114.109 114.554 0.019 0.000 2.888 175 T HA 0.574 4.885 4.350 -0.066 0.000 0.301 175 T C 0.513 175.247 174.700 0.058 0.000 1.001 175 T CA -0.162 61.954 62.100 0.027 0.000 1.147 175 T CB 1.194 70.068 68.868 0.010 0.000 0.931 175 T HN 0.526 nan 8.240 nan 0.000 0.541 176 R N 2.319 122.854 120.500 0.058 0.000 2.357 176 R HA 0.593 4.894 4.340 -0.066 0.000 0.296 176 R C -0.341 176.011 176.300 0.085 0.000 1.052 176 R CA -0.677 55.471 56.100 0.080 0.000 0.988 176 R CB 0.850 31.186 30.300 0.060 0.000 1.025 176 R HN 0.601 nan 8.270 nan 0.000 0.469 177 L N 2.113 123.414 121.223 0.129 0.000 2.342 177 L HA 0.338 4.638 4.340 -0.066 0.000 0.271 177 L C -0.102 176.866 176.870 0.163 0.000 1.008 177 L CA -1.285 53.632 54.840 0.128 0.000 0.818 177 L CB 1.771 43.910 42.059 0.134 0.000 1.296 177 L HN 0.669 nan 8.230 nan 0.000 0.427 178 D N 1.150 121.625 120.400 0.125 0.000 2.371 178 D HA 0.085 4.685 4.640 -0.066 0.000 0.242 178 D C 1.220 177.644 176.300 0.208 0.000 1.218 178 D CA -0.059 54.019 54.000 0.130 0.000 0.945 178 D CB 0.829 41.678 40.800 0.082 0.000 1.137 178 D HN 0.577 nan 8.370 nan 0.000 0.464 179 G N -0.121 108.799 108.800 0.199 0.000 2.529 179 G HA2 -0.282 3.639 3.960 -0.066 0.000 0.219 179 G HA3 -0.282 3.639 3.960 -0.066 0.000 0.219 179 G C 1.510 176.537 174.900 0.212 0.000 1.177 179 G CA 2.089 47.357 45.100 0.280 0.000 0.773 179 G HN 0.714 nan 8.290 nan 0.000 0.573 180 A N 0.646 123.534 122.820 0.114 0.000 1.883 180 A HA -0.075 4.206 4.320 -0.066 0.000 0.217 180 A C 2.228 179.825 177.584 0.022 0.000 1.186 180 A CA 2.374 54.446 52.037 0.059 0.000 0.624 180 A CB -0.506 18.520 19.000 0.043 0.000 0.822 180 A HN 0.428 nan 8.150 nan 0.000 0.444 181 E N 0.147 120.366 120.200 0.032 0.000 2.110 181 E HA -0.045 4.265 4.350 -0.066 0.000 0.193 181 E C 1.949 178.506 176.600 -0.071 0.000 0.988 181 E CA 1.586 57.985 56.400 -0.002 0.000 0.804 181 E CB -0.852 28.863 29.700 0.024 0.000 0.745 181 E HN 0.403 nan 8.360 nan 0.000 0.458 182 G N 0.749 109.487 108.800 -0.103 0.000 2.421 182 G HA2 -0.217 3.704 3.960 -0.066 0.000 0.216 182 G HA3 -0.217 3.704 3.960 -0.066 0.000 0.216 182 G C 1.615 176.150 174.900 -0.609 0.000 1.171 182 G CA 0.929 45.721 45.100 -0.513 0.000 0.775 182 G HN 0.318 nan 8.290 nan 0.000 0.543 183 L N -0.212 120.782 121.223 -0.382 0.000 2.083 183 L HA -0.041 4.260 4.340 -0.066 0.000 0.209 183 L C 2.937 179.715 176.870 -0.153 0.000 1.083 183 L CA 1.133 55.835 54.840 -0.231 0.000 0.752 183 L CB -0.413 41.606 42.059 -0.066 0.000 0.899 183 L HN 0.192 nan 8.230 nan 0.000 0.433 184 R N 0.619 121.051 120.500 -0.114 0.000 2.064 184 R HA -0.168 4.132 4.340 -0.066 0.000 0.228 184 R C 2.518 178.770 176.300 -0.081 0.000 1.144 184 R CA 1.534 57.590 56.100 -0.073 0.000 0.932 184 R CB -0.211 30.062 30.300 -0.045 0.000 0.833 184 R HN 0.173 nan 8.270 nan 0.000 0.429 185 R N -0.454 119.990 120.500 -0.093 0.000 2.105 185 R HA -0.098 4.203 4.340 -0.066 0.000 0.239 185 R C 1.851 178.100 176.300 -0.085 0.000 1.135 185 R CA 1.792 57.847 56.100 -0.076 0.000 0.967 185 R CB -0.430 29.829 30.300 -0.067 0.000 0.861 185 R HN 0.412 nan 8.270 nan 0.000 0.442 186 G N -0.450 108.265 108.800 -0.141 0.000 2.985 186 G HA2 -0.045 3.876 3.960 -0.066 0.000 0.209 186 G HA3 -0.045 3.876 3.960 -0.066 0.000 0.209 186 G C -0.177 174.669 174.900 -0.090 0.000 1.165 186 G CA -0.222 44.804 45.100 -0.123 0.000 0.776 186 G HN 0.340 nan 8.290 nan 0.000 0.541 187 R N -1.000 119.449 120.500 -0.084 0.000 3.264 187 R HA -0.137 4.164 4.340 -0.066 0.000 0.251 187 R C -0.640 175.628 176.300 -0.054 0.000 0.971 187 R CA 0.249 56.315 56.100 -0.056 0.000 0.658 187 R CB -2.240 28.038 30.300 -0.036 0.000 1.095 187 R HN 0.337 nan 8.270 nan 0.000 0.443 188 L N 0.354 121.533 121.223 -0.074 0.000 2.334 188 L HA 0.421 4.722 4.340 -0.066 0.000 0.272 188 L C 0.717 177.571 176.870 -0.026 0.000 1.020 188 L CA -1.098 53.711 54.840 -0.052 0.000 0.812 188 L CB 1.495 43.505 42.059 -0.080 0.000 1.264 188 L HN 0.038 nan 8.230 nan 0.000 0.439 189 Q N 2.330 122.128 119.800 -0.003 0.000 2.230 189 Q HA 0.387 4.688 4.340 -0.066 0.000 0.253 189 Q C -2.323 173.694 176.000 0.028 0.000 0.919 189 Q CA -1.793 54.016 55.803 0.009 0.000 0.908 189 Q CB 1.748 30.493 28.738 0.011 0.000 1.245 189 Q HN 0.294 nan 8.270 nan 0.000 0.437 190 P HA 0.021 nan 4.420 nan 0.000 0.271 190 P C -0.278 177.049 177.300 0.045 0.000 1.216 190 P CA -0.530 62.600 63.100 0.051 0.000 0.771 190 P CB 0.582 32.309 31.700 0.045 0.000 0.864 191 L N 3.405 124.659 121.223 0.052 0.000 2.513 191 L HA 0.159 4.460 4.340 -0.066 0.000 0.272 191 L C 0.052 176.943 176.870 0.034 0.000 1.187 191 L CA 0.776 55.639 54.840 0.039 0.000 0.895 191 L CB -0.555 41.525 42.059 0.035 0.000 1.147 191 L HN 0.311 nan 8.230 nan 0.000 0.483 192 D N 5.228 125.652 120.400 0.040 0.000 2.425 192 D HA 0.207 4.808 4.640 -0.066 0.000 0.240 192 D C -0.119 176.219 176.300 0.064 0.000 1.080 192 D CA -0.271 53.757 54.000 0.047 0.000 0.836 192 D CB 1.024 41.858 40.800 0.057 0.000 1.125 192 D HN 0.669 nan 8.370 nan 0.000 0.525 193 L N 3.314 124.563 121.223 0.044 0.000 2.912 193 L HA 0.067 4.367 4.340 -0.066 0.000 0.240 193 L C 2.012 178.913 176.870 0.053 0.000 1.262 193 L CA -0.177 54.694 54.840 0.052 0.000 1.058 193 L CB -0.010 42.059 42.059 0.016 0.000 1.383 193 L HN 0.332 nan 8.230 nan 0.000 0.512 194 S N -2.180 113.547 115.700 0.046 0.000 2.442 194 S HA -0.208 4.223 4.470 -0.066 0.000 0.236 194 S C 1.438 175.980 174.600 -0.097 0.000 1.007 194 S CA 0.942 59.117 58.200 -0.042 0.000 0.965 194 S CB -0.443 62.697 63.200 -0.101 0.000 0.773 194 S HN 0.539 nan 8.310 nan 0.000 0.504 195 H N 1.502 120.565 119.070 -0.011 0.000 2.547 195 H HA 0.362 4.878 4.556 -0.066 0.000 0.266 195 H C 0.539 175.858 175.328 -0.015 0.000 0.988 195 H CA 0.349 56.388 56.048 -0.016 0.000 1.147 195 H CB -0.109 29.640 29.762 -0.021 0.000 1.365 195 H HN 0.349 nan 8.280 nan 0.000 0.589 196 R N 0.879 121.427 120.500 0.080 0.000 3.532 196 R HA -0.131 4.170 4.340 -0.066 0.000 0.284 196 R C -0.763 175.581 176.300 0.075 0.000 1.140 196 R CA 0.835 56.971 56.100 0.060 0.000 0.768 196 R CB -1.781 28.543 30.300 0.041 0.000 1.252 196 R HN 0.537 nan 8.270 nan 0.000 0.454 197 D N -1.017 119.431 120.400 0.079 0.000 2.615 197 D HA 0.231 4.832 4.640 -0.066 0.000 0.236 197 D C 1.208 177.545 176.300 0.061 0.000 1.233 197 D CA 0.319 54.361 54.000 0.070 0.000 0.829 197 D CB 0.356 41.183 40.800 0.045 0.000 1.024 197 D HN 0.288 nan 8.370 nan 0.000 0.490 198 A N 0.395 123.247 122.820 0.053 0.000 1.972 198 A HA -0.108 4.172 4.320 -0.066 0.000 0.219 198 A C 1.905 179.504 177.584 0.026 0.000 1.169 198 A CA 0.787 52.836 52.037 0.019 0.000 0.635 198 A CB -0.474 18.522 19.000 -0.007 0.000 0.810 198 A HN 0.281 nan 8.150 nan 0.000 0.446 199 L N -0.675 120.594 121.223 0.078 0.000 2.549 199 L HA -0.005 4.296 4.340 -0.066 0.000 0.229 199 L C 2.599 179.524 176.870 0.092 0.000 1.158 199 L CA 1.231 56.130 54.840 0.099 0.000 0.842 199 L CB -0.523 41.646 42.059 0.184 0.000 0.952 199 L HN 0.384 nan 8.230 nan 0.000 0.452 200 A N -1.265 121.605 122.820 0.084 0.000 2.123 200 A HA 0.082 4.363 4.320 -0.066 0.000 0.214 200 A C 2.113 179.717 177.584 0.033 0.000 1.152 200 A CA 0.869 52.949 52.037 0.072 0.000 0.728 200 A CB -0.198 18.844 19.000 0.069 0.000 0.814 200 A HN 0.385 nan 8.150 nan 0.000 0.464 201 L N -1.066 120.166 121.223 0.015 0.000 2.388 201 L HA 0.128 4.428 4.340 -0.066 0.000 0.209 201 L C 0.044 176.900 176.870 -0.023 0.000 1.061 201 L CA 0.260 55.095 54.840 -0.008 0.000 0.834 201 L CB 0.311 42.359 42.059 -0.019 0.000 1.029 201 L HN 0.042 nan 8.230 nan 0.000 0.473 202 V N 2.012 121.906 119.914 -0.034 0.000 2.247 202 V HA 0.375 4.456 4.120 -0.066 0.000 0.262 202 V C -0.461 175.614 176.094 -0.031 0.000 1.096 202 V CA -0.211 62.052 62.300 -0.062 0.000 0.895 202 V CB -0.204 31.544 31.823 -0.126 0.000 1.141 202 V HN 0.330 nan 8.190 nan 0.000 0.478 203 N N 1.963 120.657 118.700 -0.009 0.000 3.348 203 N HA 0.499 5.200 4.740 -0.066 0.000 0.233 203 N C -0.042 175.492 175.510 0.040 0.000 1.440 203 N CA 0.592 53.656 53.050 0.024 0.000 0.887 203 N CB 2.238 40.756 38.487 0.053 0.000 1.410 203 N HN 0.761 nan 8.380 nan 0.000 0.502 204 G N 0.030 108.885 108.800 0.091 0.000 2.645 204 G HA2 -0.245 3.676 3.960 -0.066 0.000 0.246 204 G HA3 -0.245 3.676 3.960 -0.066 0.000 0.246 204 G C 0.194 175.142 174.900 0.079 0.000 1.322 204 G CA 0.531 45.689 45.100 0.095 0.000 0.898 204 G HN 1.216 nan 8.290 nan 0.000 0.573 205 T N -3.147 111.438 114.554 0.051 0.000 3.269 205 T HA 0.571 4.882 4.350 -0.066 0.000 0.269 205 T C 1.793 176.500 174.700 0.011 0.000 0.993 205 T CA 0.946 63.068 62.100 0.037 0.000 0.909 205 T CB 0.450 69.337 68.868 0.031 0.000 1.115 205 T HN 0.847 nan 8.240 nan 0.000 0.543 206 S N 1.746 117.449 115.700 0.004 0.000 2.374 206 S HA -0.088 4.342 4.470 -0.066 0.000 0.227 206 S C 2.461 177.054 174.600 -0.012 0.000 1.037 206 S CA 1.317 59.511 58.200 -0.011 0.000 1.024 206 S CB -0.578 62.612 63.200 -0.016 0.000 0.861 206 S HN 0.833 nan 8.310 nan 0.000 0.456 207 A N 2.623 125.440 122.820 -0.005 0.000 1.854 207 A HA -0.064 4.217 4.320 -0.066 0.000 0.214 207 A C 2.279 179.866 177.584 0.005 0.000 1.192 207 A CA 1.695 53.729 52.037 -0.005 0.000 0.611 207 A CB -0.780 18.220 19.000 -0.001 0.000 0.832 207 A HN 0.659 nan 8.150 nan 0.000 0.442 208 M N -1.520 118.087 119.600 0.012 0.000 2.159 208 M HA -0.086 4.355 4.480 -0.066 0.000 0.263 208 M C 1.801 178.108 176.300 0.013 0.000 1.063 208 M CA 2.299 57.611 55.300 0.019 0.000 1.110 208 M CB -1.318 31.296 32.600 0.023 0.000 1.374 208 M HN 0.152 nan 8.290 nan 0.000 0.411 209 T N 1.161 115.714 114.554 -0.003 0.000 2.777 209 T HA 0.003 4.313 4.350 -0.066 0.000 0.266 209 T C 1.965 176.662 174.700 -0.005 0.000 1.040 209 T CA 1.650 63.740 62.100 -0.017 0.000 1.141 209 T CB -0.727 68.122 68.868 -0.031 0.000 0.868 209 T HN 0.721 nan 8.240 nan 0.000 0.444 210 G N 1.294 110.090 108.800 -0.007 0.000 2.421 210 G HA2 -0.120 3.801 3.960 -0.066 0.000 0.216 210 G HA3 -0.120 3.801 3.960 -0.066 0.000 0.216 210 G C 1.525 176.438 174.900 0.022 0.000 1.171 210 G CA 0.469 45.565 45.100 -0.007 0.000 0.775 210 G HN 0.482 nan 8.290 nan 0.000 0.543 211 I N 1.467 122.055 120.570 0.030 0.000 2.226 211 I HA -0.184 3.946 4.170 -0.066 0.000 0.245 211 I C 3.268 179.438 176.117 0.088 0.000 1.100 211 I CA 1.079 62.411 61.300 0.055 0.000 1.374 211 I CB -0.186 37.844 38.000 0.049 0.000 1.057 211 I HN 0.238 nan 8.210 nan 0.000 0.413 212 A N 1.182 124.056 122.820 0.091 0.000 1.930 212 A HA -0.159 4.121 4.320 -0.066 0.000 0.217 212 A C 2.232 179.925 177.584 0.181 0.000 1.175 212 A CA 1.717 53.847 52.037 0.155 0.000 0.627 212 A CB -0.787 18.276 19.000 0.103 0.000 0.815 212 A HN 0.513 nan 8.150 nan 0.000 0.443 213 L N -2.046 119.245 121.223 0.114 0.000 2.217 213 L HA 0.023 4.324 4.340 -0.066 0.000 0.211 213 L C 1.927 178.910 176.870 0.187 0.000 1.107 213 L CA 1.520 56.437 54.840 0.128 0.000 0.783 213 L CB -1.073 41.027 42.059 0.069 0.000 0.919 213 L HN 0.000 nan 8.230 nan 0.000 0.442 214 V N 0.776 120.800 119.914 0.183 0.000 2.453 214 V HA -0.141 3.940 4.120 -0.066 0.000 0.247 214 V C 2.426 178.647 176.094 0.211 0.000 1.048 214 V CA 1.587 64.036 62.300 0.248 0.000 1.049 214 V CB -0.939 30.996 31.823 0.187 0.000 0.672 214 V HN 0.497 nan 8.190 nan 0.000 0.457 215 N N 0.963 119.761 118.700 0.164 0.000 2.120 215 N HA -0.119 4.582 4.740 -0.066 0.000 0.188 215 N C 1.928 177.495 175.510 0.095 0.000 1.024 215 N CA 1.680 54.803 53.050 0.122 0.000 0.852 215 N CB -0.536 38.008 38.487 0.094 0.000 1.003 215 N HN 0.473 nan 8.380 nan 0.000 0.424 216 A N 0.347 123.250 122.820 0.138 0.000 1.908 216 A HA -0.217 4.064 4.320 -0.066 0.000 0.218 216 A C 2.121 179.736 177.584 0.052 0.000 1.181 216 A CA 1.886 53.988 52.037 0.107 0.000 0.627 216 A CB -0.943 18.178 19.000 0.202 0.000 0.818 216 A HN 0.452 nan 8.150 nan 0.000 0.445 217 H N -0.253 118.798 119.070 -0.031 0.000 2.326 217 H HA 0.072 4.591 4.556 -0.062 0.000 0.301 217 H C 2.216 177.475 175.328 -0.115 0.000 1.081 217 H CA 1.904 57.852 56.048 -0.168 0.000 1.334 217 H CB -0.246 29.284 29.762 -0.387 0.000 1.385 217 H HN 0.393 nan 8.280 nan 0.000 0.504 218 A N -0.359 122.490 122.820 0.047 0.000 1.902 218 A HA -0.181 4.099 4.320 -0.066 0.000 0.217 218 A C 2.679 180.256 177.584 -0.012 0.000 1.181 218 A CA 1.504 53.571 52.037 0.050 0.000 0.623 218 A CB -1.202 17.863 19.000 0.108 0.000 0.818 218 A HN 0.648 nan 8.150 nan 0.000 0.443 219 C N -1.322 117.990 119.300 0.020 0.000 2.432 219 C HA -0.009 4.412 4.460 -0.066 0.000 0.280 219 C C 2.761 177.747 174.990 -0.008 0.000 1.353 219 C CA 1.073 60.146 59.018 0.091 0.000 1.766 219 C CB -1.365 26.463 27.740 0.147 0.000 1.924 219 C HN 0.734 nan 8.230 nan 0.000 0.509 220 R N -0.002 120.394 120.500 -0.173 0.000 2.066 220 R HA -0.122 4.179 4.340 -0.066 0.000 0.232 220 R C 2.255 178.365 176.300 -0.315 0.000 1.131 220 R CA 1.527 57.447 56.100 -0.300 0.000 0.955 220 R CB -0.418 29.598 30.300 -0.474 0.000 0.851 220 R HN 0.590 nan 8.270 nan 0.000 0.432 221 H N 0.529 119.474 119.070 -0.210 0.000 2.357 221 H HA -0.080 4.436 4.556 -0.067 0.000 0.301 221 H C 2.169 177.487 175.328 -0.018 0.000 1.082 221 H CA 1.627 57.598 56.048 -0.128 0.000 1.342 221 H CB -0.178 29.506 29.762 -0.131 0.000 1.389 221 H HN 0.247 nan 8.280 nan 0.000 0.511 222 L N -0.187 121.006 121.223 -0.050 0.000 2.131 222 L HA -0.073 4.227 4.340 -0.066 0.000 0.210 222 L C 2.731 179.446 176.870 -0.258 0.000 1.092 222 L CA 0.991 55.615 54.840 -0.360 0.000 0.759 222 L CB -0.701 40.745 42.059 -1.021 0.000 0.903 222 L HN 0.290 nan 8.230 nan 0.000 0.435 223 G N -0.144 108.651 108.800 -0.009 0.000 2.408 223 G HA2 -0.237 3.684 3.960 -0.066 0.000 0.217 223 G HA3 -0.237 3.684 3.960 -0.066 0.000 0.217 223 G C 1.407 176.407 174.900 0.168 0.000 1.150 223 G CA 0.438 45.723 45.100 0.307 0.000 0.776 223 G HN 0.307 nan 8.290 nan 0.000 0.542 224 N N 0.109 118.800 118.700 -0.016 0.000 2.188 224 N HA -0.083 4.618 4.740 -0.066 0.000 0.184 224 N C 1.851 177.278 175.510 -0.139 0.000 1.018 224 N CA 0.838 53.816 53.050 -0.119 0.000 0.858 224 N CB -0.326 38.031 38.487 -0.217 0.000 0.989 224 N HN 0.566 nan 8.380 nan 0.000 0.426 225 W N 1.686 122.942 121.300 -0.075 0.000 2.381 225 W HA 0.051 4.664 4.660 -0.078 0.000 0.301 225 W C 2.523 179.018 176.519 -0.040 0.000 1.205 225 W CA 1.180 58.477 57.345 -0.081 0.000 1.285 225 W CB -0.463 28.905 29.460 -0.155 0.000 1.133 225 W HN 0.030 nan 8.180 nan 0.000 0.521 226 A N -0.114 122.828 122.820 0.202 0.000 1.908 226 A HA -0.196 4.085 4.320 -0.066 0.000 0.218 226 A C 2.002 179.674 177.584 0.146 0.000 1.181 226 A CA 2.261 54.430 52.037 0.220 0.000 0.627 226 A CB -1.126 18.093 19.000 0.366 0.000 0.818 226 A HN 0.105 nan 8.150 nan 0.000 0.445 227 V N -0.374 119.613 119.914 0.122 0.000 2.307 227 V HA -0.194 3.887 4.120 -0.066 0.000 0.245 227 V C 3.067 179.147 176.094 -0.023 0.000 1.045 227 V CA 1.849 64.166 62.300 0.027 0.000 1.024 227 V CB -1.196 30.648 31.823 0.034 0.000 0.651 227 V HN 0.618 nan 8.190 nan 0.000 0.449 228 A N -0.218 122.578 122.820 -0.039 0.000 1.908 228 A HA -0.163 4.117 4.320 -0.066 0.000 0.218 228 A C 2.179 179.779 177.584 0.027 0.000 1.181 228 A CA 1.836 53.835 52.037 -0.063 0.000 0.627 228 A CB -0.525 18.348 19.000 -0.211 0.000 0.818 228 A HN 0.520 nan 8.150 nan 0.000 0.445 229 L N -1.147 120.133 121.223 0.094 0.000 2.179 229 L HA -0.087 4.214 4.340 -0.066 0.000 0.208 229 L C 2.634 179.567 176.870 0.105 0.000 1.096 229 L CA 1.413 56.326 54.840 0.122 0.000 0.779 229 L CB -0.788 41.367 42.059 0.158 0.000 0.922 229 L HN 0.310 nan 8.230 nan 0.000 0.443 230 T N 0.158 114.766 114.554 0.090 0.000 2.777 230 T HA -0.121 4.189 4.350 -0.066 0.000 0.266 230 T C 2.068 176.880 174.700 0.187 0.000 1.040 230 T CA 1.310 63.477 62.100 0.111 0.000 1.141 230 T CB -0.106 68.779 68.868 0.028 0.000 0.868 230 T HN 0.426 nan 8.240 nan 0.000 0.444 231 A N 1.286 124.178 122.820 0.121 0.000 1.877 231 A HA -0.003 4.278 4.320 -0.066 0.000 0.216 231 A C 2.205 179.908 177.584 0.198 0.000 1.186 231 A CA 1.188 53.356 52.037 0.219 0.000 0.620 231 A CB -0.807 18.251 19.000 0.097 0.000 0.822 231 A HN 0.393 nan 8.150 nan 0.000 0.443 232 L N -0.774 120.523 121.223 0.124 0.000 2.141 232 L HA -0.076 4.225 4.340 -0.066 0.000 0.209 232 L C 2.198 179.126 176.870 0.097 0.000 1.094 232 L CA 1.716 56.614 54.840 0.097 0.000 0.763 232 L CB -0.657 41.449 42.059 0.077 0.000 0.908 232 L HN 0.380 nan 8.230 nan 0.000 0.437 233 L N -0.216 121.076 121.223 0.115 0.000 2.046 233 L HA -0.106 4.194 4.340 -0.066 0.000 0.208 233 L C 2.476 179.407 176.870 0.102 0.000 1.077 233 L CA 2.050 56.950 54.840 0.100 0.000 0.747 233 L CB -0.994 41.134 42.059 0.115 0.000 0.896 233 L HN 0.257 nan 8.230 nan 0.000 0.432 234 A N -0.868 122.045 122.820 0.155 0.000 1.933 234 A HA -0.199 4.082 4.320 -0.066 0.000 0.218 234 A C 2.122 179.732 177.584 0.043 0.000 1.175 234 A CA 1.719 53.810 52.037 0.090 0.000 0.628 234 A CB -0.583 18.482 19.000 0.108 0.000 0.814 234 A HN 0.635 nan 8.150 nan 0.000 0.444 235 E N -1.103 119.138 120.200 0.068 0.000 2.274 235 E HA -0.111 4.199 4.350 -0.066 0.000 0.194 235 E C 1.578 178.196 176.600 0.030 0.000 0.996 235 E CA 0.893 57.319 56.400 0.044 0.000 0.840 235 E CB -0.234 29.498 29.700 0.054 0.000 0.772 235 E HN 0.679 nan 8.360 nan 0.000 0.491 236 C N 0.005 119.325 119.300 0.033 0.000 2.634 236 C HA 0.167 4.588 4.460 -0.066 0.000 0.268 236 C C 1.727 176.724 174.990 0.011 0.000 1.322 236 C CA 0.013 59.044 59.018 0.021 0.000 1.737 236 C CB -0.195 27.558 27.740 0.021 0.000 1.976 236 C HN 0.320 nan 8.230 nan 0.000 0.547 237 L N -0.178 121.052 121.223 0.011 0.000 3.168 237 L HA 0.287 4.588 4.340 -0.066 0.000 0.277 237 L C 0.326 177.189 176.870 -0.011 0.000 1.245 237 L CA -0.075 54.765 54.840 0.001 0.000 1.035 237 L CB -0.260 41.803 42.059 0.007 0.000 1.399 237 L HN 0.214 nan 8.230 nan 0.000 0.580 238 R N 0.664 121.156 120.500 -0.013 0.000 3.333 238 R HA -0.149 4.151 4.340 -0.066 0.000 0.256 238 R C 0.687 176.955 176.300 -0.053 0.000 1.010 238 R CA 0.427 56.513 56.100 -0.025 0.000 0.680 238 R CB -1.947 28.342 30.300 -0.018 0.000 1.102 238 R HN 0.498 nan 8.270 nan 0.000 0.440 239 G N 0.697 109.452 108.800 -0.075 0.000 2.554 239 G HA2 0.177 4.097 3.960 -0.066 0.000 0.238 239 G HA3 0.177 4.097 3.960 -0.066 0.000 0.238 239 G C 0.062 174.823 174.900 -0.231 0.000 1.259 239 G CA -0.543 44.466 45.100 -0.152 0.000 0.843 239 G HN 0.242 nan 8.290 nan 0.000 0.582 240 R N 0.443 120.775 120.500 -0.280 0.000 2.221 240 R HA 0.248 4.548 4.340 -0.066 0.000 0.327 240 R C 1.495 177.495 176.300 -0.500 0.000 1.033 240 R CA 0.185 56.118 56.100 -0.280 0.000 0.887 240 R CB 0.928 31.120 30.300 -0.181 0.000 1.057 240 R HN 0.696 nan 8.270 nan 0.000 0.455 241 T N -1.363 112.953 114.554 -0.397 0.000 3.088 241 T HA -0.104 4.207 4.350 -0.066 0.000 0.259 241 T C 1.388 175.950 174.700 -0.230 0.000 1.122 241 T CA 0.652 62.498 62.100 -0.422 0.000 1.095 241 T CB -0.011 68.754 68.868 -0.173 0.000 0.930 241 T HN 0.739 nan 8.240 nan 0.000 0.508 242 E N 1.859 121.960 120.200 -0.165 0.000 2.204 242 E HA -0.021 4.290 4.350 -0.066 0.000 0.195 242 E C 2.208 178.784 176.600 -0.040 0.000 0.990 242 E CA 0.920 57.279 56.400 -0.068 0.000 0.821 242 E CB -0.552 29.120 29.700 -0.046 0.000 0.750 242 E HN 0.598 nan 8.360 nan 0.000 0.477 243 A N 0.746 123.496 122.820 -0.117 0.000 2.121 243 A HA -0.082 4.199 4.320 -0.066 0.000 0.218 243 A C 0.988 178.710 177.584 0.230 0.000 1.154 243 A CA 0.647 52.680 52.037 -0.007 0.000 0.679 243 A CB -0.595 18.361 19.000 -0.073 0.000 0.795 243 A HN 0.488 nan 8.150 nan 0.000 0.458 244 W N -0.356 120.948 121.300 0.006 0.000 3.239 244 W HA 0.597 5.234 4.660 -0.038 0.000 0.368 244 W C 0.841 177.365 176.519 0.008 0.000 1.154 244 W CA -1.070 56.280 57.345 0.009 0.000 1.860 244 W CB -1.299 28.169 29.460 0.013 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.869 123.802 122.820 0.189 0.000 2.498 245 A HA 0.417 4.698 4.320 -0.066 0.000 0.239 245 A C 1.688 179.327 177.584 0.091 0.000 1.068 245 A CA 0.719 52.823 52.037 0.111 0.000 0.766 245 A CB 0.558 19.596 19.000 0.063 0.000 1.003 245 A HN 0.251 nan 8.150 nan 0.000 0.497 246 A N 2.329 125.189 122.820 0.068 0.000 1.972 246 A HA 0.136 4.416 4.320 -0.066 0.000 0.219 246 A C 2.341 179.947 177.584 0.037 0.000 1.169 246 A CA 2.175 54.242 52.037 0.049 0.000 0.635 246 A CB -0.919 18.103 19.000 0.037 0.000 0.810 246 A HN 1.745 nan 8.150 nan 0.000 0.446 247 A N -0.152 122.688 122.820 0.033 0.000 1.940 247 A HA -0.093 4.187 4.320 -0.066 0.000 0.219 247 A C 2.132 179.730 177.584 0.023 0.000 1.176 247 A CA 1.559 53.610 52.037 0.023 0.000 0.631 247 A CB -0.547 18.465 19.000 0.020 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.631 120.613 121.223 0.035 0.000 2.093 248 L HA -0.133 4.168 4.340 -0.066 0.000 0.208 248 L C 2.823 179.711 176.870 0.030 0.000 1.085 248 L CA 1.334 56.194 54.840 0.034 0.000 0.755 248 L CB -0.402 41.687 42.059 0.051 0.000 0.904 248 L HN 0.331 nan 8.230 nan 0.000 0.435 249 S N -0.316 115.406 115.700 0.037 0.000 2.368 249 S HA -0.178 4.253 4.470 -0.066 0.000 0.225 249 S C 1.502 176.109 174.600 0.011 0.000 1.030 249 S CA 1.301 59.520 58.200 0.031 0.000 0.999 249 S CB -0.277 62.945 63.200 0.037 0.000 0.844 249 S HN 0.443 nan 8.310 nan 0.000 0.459 250 D N 1.427 121.832 120.400 0.008 0.000 2.178 250 D HA -0.015 4.586 4.640 -0.066 0.000 0.201 250 D C 1.743 178.034 176.300 -0.016 0.000 0.980 250 D CA 0.698 54.695 54.000 -0.004 0.000 0.842 250 D CB -0.243 40.558 40.800 0.000 0.000 0.948 250 D HN 0.333 nan 8.370 nan 0.000 0.472 251 L N -0.494 120.723 121.223 -0.010 0.000 2.291 251 L HA 0.013 4.313 4.340 -0.066 0.000 0.214 251 L C 1.574 178.423 176.870 -0.035 0.000 1.120 251 L CA 0.538 55.367 54.840 -0.018 0.000 0.799 251 L CB 0.149 42.204 42.059 -0.007 0.000 0.925 251 L HN -0.181 nan 8.230 nan 0.000 0.446 252 R N 0.798 121.275 120.500 -0.039 0.000 2.644 252 R HA 0.192 4.492 4.340 -0.066 0.000 0.271 252 R C -2.203 174.029 176.300 -0.113 0.000 1.687 252 R CA -1.395 54.657 56.100 -0.079 0.000 1.655 252 R CB 0.901 31.195 30.300 -0.010 0.000 1.285 252 R HN -0.150 nan 8.270 nan 0.000 0.643 253 P HA -0.087 nan 4.420 nan 0.000 0.297 253 P C -0.686 176.540 177.300 -0.123 0.000 1.544 253 P CA 0.256 63.288 63.100 -0.113 0.000 0.798 253 P CB -0.334 31.311 31.700 -0.091 0.000 1.757 254 H N 0.834 119.906 119.070 0.004 0.000 2.767 254 H HA 0.097 4.614 4.556 -0.064 0.000 0.316 254 H C -1.315 174.027 175.328 0.022 0.000 1.059 254 H CA -1.549 54.504 56.048 0.008 0.000 1.461 254 H CB 0.548 30.310 29.762 0.001 0.000 1.475 254 H HN 0.084 nan 8.280 nan 0.000 0.531 255 P HA -0.161 nan 4.420 nan 0.000 0.215 255 P C 1.649 179.021 177.300 0.120 0.000 1.157 255 P CA 1.716 64.878 63.100 0.102 0.000 0.874 255 P CB 0.118 31.871 31.700 0.088 0.000 0.790 256 G N -0.505 108.386 108.800 0.151 0.000 2.422 256 G HA2 -0.297 3.624 3.960 -0.066 0.000 0.218 256 G HA3 -0.297 3.624 3.960 -0.066 0.000 0.218 256 G C 1.665 176.677 174.900 0.186 0.000 1.146 256 G CA 0.672 45.895 45.100 0.205 0.000 0.769 256 G HN 0.328 nan 8.290 nan 0.000 0.547 257 Q N 0.076 119.950 119.800 0.123 0.000 2.083 257 Q HA -0.038 4.262 4.340 -0.066 0.000 0.198 257 Q C 2.460 178.503 176.000 0.072 0.000 0.969 257 Q CA 1.421 57.270 55.803 0.077 0.000 0.838 257 Q CB -0.187 28.606 28.738 0.093 0.000 0.900 257 Q HN 0.501 nan 8.270 nan 0.000 0.436 258 K N 0.228 120.676 120.400 0.080 0.000 2.032 258 K HA -0.236 4.045 4.320 -0.066 0.000 0.209 258 K C 1.672 178.302 176.600 0.049 0.000 1.048 258 K CA 1.931 58.251 56.287 0.055 0.000 0.927 258 K CB -0.177 32.351 32.500 0.046 0.000 0.712 258 K HN 0.191 nan 8.250 nan 0.000 0.441 259 D N -0.174 120.267 120.400 0.069 0.000 2.097 259 D HA -0.109 4.491 4.640 -0.066 0.000 0.195 259 D C 1.724 178.068 176.300 0.072 0.000 0.989 259 D CA 1.566 55.598 54.000 0.054 0.000 0.827 259 D CB -0.095 40.734 40.800 0.048 0.000 0.966 259 D HN 0.330 nan 8.370 nan 0.000 0.456 260 A N 0.575 123.490 122.820 0.158 0.000 1.883 260 A HA -0.040 4.240 4.320 -0.066 0.000 0.217 260 A C 2.394 179.945 177.584 -0.055 0.000 1.186 260 A CA 2.530 54.652 52.037 0.141 0.000 0.624 260 A CB -1.204 17.842 19.000 0.078 0.000 0.822 260 A HN 0.336 nan 8.150 nan 0.000 0.444 261 A N -0.251 122.534 122.820 -0.059 0.000 1.877 261 A HA 0.155 4.435 4.320 -0.066 0.000 0.216 261 A C 2.537 180.093 177.584 -0.046 0.000 1.186 261 A CA 2.223 54.206 52.037 -0.090 0.000 0.620 261 A CB -1.101 17.904 19.000 0.008 0.000 0.822 261 A HN 1.115 nan 8.150 nan 0.000 0.443 262 A N -0.171 122.643 122.820 -0.010 0.000 1.902 262 A HA -0.186 4.094 4.320 -0.066 0.000 0.217 262 A C 2.240 179.811 177.584 -0.022 0.000 1.181 262 A CA 1.697 53.734 52.037 0.000 0.000 0.623 262 A CB -0.463 18.539 19.000 0.003 0.000 0.818 262 A HN 0.555 nan 8.150 nan 0.000 0.443 263 R N -0.667 119.806 120.500 -0.044 0.000 2.092 263 R HA 0.028 4.329 4.340 -0.066 0.000 0.231 263 R C 2.033 178.277 176.300 -0.094 0.000 1.119 263 R CA 1.244 57.307 56.100 -0.062 0.000 0.970 263 R CB -0.441 29.824 30.300 -0.058 0.000 0.864 263 R HN 0.505 nan 8.270 nan 0.000 0.440 264 L N 0.183 121.297 121.223 -0.181 0.000 2.027 264 L HA -0.156 4.145 4.340 -0.066 0.000 0.206 264 L C 2.539 179.384 176.870 -0.041 0.000 1.074 264 L CA 1.397 56.044 54.840 -0.322 0.000 0.745 264 L CB -0.322 41.169 42.059 -0.948 0.000 0.898 264 L HN 0.142 nan 8.230 nan 0.000 0.433 265 R N -0.131 120.405 120.500 0.059 0.000 2.091 265 R HA -0.159 4.142 4.340 -0.066 0.000 0.238 265 R C 2.380 178.736 176.300 0.093 0.000 1.136 265 R CA 1.380 57.577 56.100 0.162 0.000 0.959 265 R CB -0.542 29.837 30.300 0.131 0.000 0.856 265 R HN 0.363 nan 8.270 nan 0.000 0.437 266 A N 1.293 124.135 122.820 0.036 0.000 1.933 266 A HA -0.137 4.143 4.320 -0.066 0.000 0.218 266 A C 2.042 179.637 177.584 0.017 0.000 1.175 266 A CA 1.051 53.098 52.037 0.017 0.000 0.628 266 A CB -0.243 18.751 19.000 -0.010 0.000 0.814 266 A HN 0.102 nan 8.150 nan 0.000 0.444 267 R N -0.180 120.327 120.500 0.012 0.000 2.096 267 R HA -0.108 4.192 4.340 -0.066 0.000 0.235 267 R C 1.898 178.231 176.300 0.055 0.000 1.127 267 R CA 1.740 57.848 56.100 0.013 0.000 0.968 267 R CB -1.312 28.985 30.300 -0.005 0.000 0.861 267 R HN 0.666 nan 8.270 nan 0.000 0.440 268 V N -0.786 119.192 119.914 0.107 0.000 3.633 268 V HA 0.108 4.188 4.120 -0.066 0.000 0.283 268 V C 0.194 176.333 176.094 0.076 0.000 1.305 268 V CA -0.567 61.803 62.300 0.116 0.000 1.153 268 V CB -0.611 31.328 31.823 0.195 0.000 0.950 268 V HN -0.070 nan 8.190 nan 0.000 0.432 269 D N 1.368 121.803 120.400 0.058 0.000 2.458 269 D HA 0.418 5.019 4.640 -0.066 0.000 0.243 269 D C 1.448 177.763 176.300 0.026 0.000 1.146 269 D CA 1.858 55.880 54.000 0.037 0.000 0.877 269 D CB 0.525 41.340 40.800 0.027 0.000 1.176 269 D HN 0.554 nan 8.370 nan 0.000 0.461 270 G N 2.420 111.231 108.800 0.019 0.000 2.176 270 G HA2 -0.270 3.651 3.960 -0.066 0.000 0.253 270 G HA3 -0.270 3.651 3.960 -0.066 0.000 0.253 270 G C 0.456 175.365 174.900 0.015 0.000 0.979 270 G CA 0.307 45.416 45.100 0.014 0.000 0.641 270 G HN 0.787 nan 8.290 nan 0.000 0.530 271 S N 0.153 115.866 115.700 0.021 0.000 2.565 271 S HA 0.665 5.096 4.470 -0.066 0.000 0.276 271 S C 1.220 175.827 174.600 0.012 0.000 1.326 271 S CA 0.812 59.025 58.200 0.022 0.000 1.045 271 S CB 1.314 64.534 63.200 0.034 0.000 0.918 271 S HN 1.604 nan 8.310 nan 0.000 0.505 272 A N 5.258 128.086 122.820 0.013 0.000 2.470 272 A HA 0.340 4.621 4.320 -0.066 0.000 0.251 272 A C 1.684 179.275 177.584 0.012 0.000 1.245 272 A CA -0.344 51.699 52.037 0.010 0.000 0.932 272 A CB 0.098 19.104 19.000 0.011 0.000 1.037 272 A HN 0.722 nan 8.150 nan 0.000 0.522 273 R N -0.101 120.407 120.500 0.013 0.000 2.290 273 R HA 0.115 4.415 4.340 -0.066 0.000 0.197 273 R C 0.635 176.937 176.300 0.002 0.000 0.913 273 R CA 0.810 56.917 56.100 0.011 0.000 1.040 273 R CB -0.224 30.085 30.300 0.016 0.000 0.992 273 R HN 0.488 nan 8.270 nan 0.000 0.500 274 V N -1.465 118.446 119.914 -0.005 0.000 2.837 274 V HA 0.476 4.557 4.120 -0.066 0.000 0.310 274 V C 0.441 176.518 176.094 -0.029 0.000 1.059 274 V CA -0.972 61.308 62.300 -0.033 0.000 1.004 274 V CB 2.139 33.932 31.823 -0.051 0.000 1.045 274 V HN -0.269 nan 8.190 nan 0.000 0.465 275 V N 4.272 124.159 119.914 -0.046 0.000 2.364 275 V HA 0.441 4.521 4.120 -0.066 0.000 0.272 275 V C 1.043 177.114 176.094 -0.039 0.000 1.036 275 V CA -0.226 62.076 62.300 0.004 0.000 0.880 275 V CB 0.649 32.477 31.823 0.009 0.000 0.991 275 V HN 0.946 nan 8.190 nan 0.000 0.460 276 R N 1.591 122.058 120.500 -0.056 0.000 2.334 276 R HA 0.191 4.492 4.340 -0.066 0.000 0.212 276 R C -0.102 176.112 176.300 -0.144 0.000 0.897 276 R CA -0.205 55.819 56.100 -0.126 0.000 1.056 276 R CB 0.190 30.392 30.300 -0.163 0.000 1.046 276 R HN 0.734 nan 8.270 nan 0.000 0.513 277 H N 0.254 119.300 119.070 -0.040 0.000 2.886 277 H HA 0.050 4.566 4.556 -0.067 0.000 0.329 277 H C -0.190 175.117 175.328 -0.035 0.000 1.044 277 H CA 0.031 56.060 56.048 -0.031 0.000 1.456 277 H CB 0.800 30.546 29.762 -0.027 0.000 1.464 277 H HN -0.198 nan 8.280 nan 0.000 0.573 278 V N 6.237 126.194 119.914 0.072 0.000 2.408 278 V HA -0.044 4.037 4.120 -0.066 0.000 0.267 278 V C 1.872 177.992 176.094 0.043 0.000 1.047 278 V CA 0.035 62.355 62.300 0.034 0.000 0.937 278 V CB -0.181 31.652 31.823 0.016 0.000 0.999 278 V HN 0.823 nan 8.190 nan 0.000 0.472 279 I N 3.430 124.015 120.570 0.026 0.000 2.248 279 I HA -0.174 3.956 4.170 -0.066 0.000 0.248 279 I C 2.098 178.222 176.117 0.011 0.000 1.107 279 I CA 2.083 63.392 61.300 0.015 0.000 1.373 279 I CB -0.260 37.741 38.000 0.003 0.000 1.055 279 I HN 0.557 nan 8.210 nan 0.000 0.418 280 A N 0.833 123.659 122.820 0.011 0.000 2.172 280 A HA -0.100 4.181 4.320 -0.066 0.000 0.216 280 A C 2.147 179.737 177.584 0.010 0.000 1.154 280 A CA 1.156 53.198 52.037 0.008 0.000 0.701 280 A CB -0.536 18.468 19.000 0.007 0.000 0.789 280 A HN 0.556 nan 8.150 nan 0.000 0.465 281 E N 0.004 120.214 120.200 0.017 0.000 2.152 281 E HA -0.101 4.210 4.350 -0.066 0.000 0.192 281 E C 1.170 177.779 176.600 0.015 0.000 0.983 281 E CA 0.181 56.593 56.400 0.019 0.000 0.818 281 E CB -0.196 29.524 29.700 0.033 0.000 0.758 281 E HN 0.643 nan 8.360 nan 0.000 0.467 282 R N 1.759 122.265 120.500 0.010 0.000 2.442 282 R HA 0.063 4.364 4.340 -0.066 0.000 0.291 282 R C -0.320 175.979 176.300 -0.002 0.000 1.069 282 R CA 0.036 56.136 56.100 0.000 0.000 1.022 282 R CB 0.454 30.748 30.300 -0.010 0.000 0.976 282 R HN -0.127 nan 8.270 nan 0.000 0.443 283 R N 5.211 125.709 120.500 -0.003 0.000 2.294 283 R HA 0.304 4.605 4.340 -0.066 0.000 0.319 283 R C -0.497 175.799 176.300 -0.006 0.000 0.984 283 R CA -0.647 55.452 56.100 -0.003 0.000 0.861 283 R CB 1.212 31.512 30.300 -0.002 0.000 1.104 283 R HN 0.488 nan 8.270 nan 0.000 0.451 284 L N 3.217 124.436 121.223 -0.006 0.000 2.357 284 L HA 0.309 4.610 4.340 -0.066 0.000 0.273 284 L C 0.648 177.514 176.870 -0.006 0.000 1.080 284 L CA -0.504 54.331 54.840 -0.007 0.000 0.803 284 L CB 0.855 42.910 42.059 -0.007 0.000 1.174 284 L HN 0.700 nan 8.230 nan 0.000 0.443 285 D N 1.684 122.080 120.400 -0.007 0.000 2.616 285 D HA 0.329 4.930 4.640 -0.066 0.000 0.260 285 D C 0.628 176.924 176.300 -0.006 0.000 1.158 285 D CA -0.404 53.592 54.000 -0.006 0.000 1.085 285 D CB 1.686 42.482 40.800 -0.006 0.000 1.222 285 D HN 0.448 nan 8.370 nan 0.000 0.626 286 A N -0.188 122.629 122.820 -0.005 0.000 1.933 286 A HA 0.037 4.317 4.320 -0.066 0.000 0.218 286 A C 2.018 179.599 177.584 -0.006 0.000 1.175 286 A CA 1.920 53.954 52.037 -0.005 0.000 0.628 286 A CB -1.356 17.641 19.000 -0.004 0.000 0.814 286 A HN 0.687 nan 8.150 nan 0.000 0.444 287 G N -1.173 107.623 108.800 -0.007 0.000 2.776 287 G HA2 -0.009 3.911 3.960 -0.066 0.000 0.209 287 G HA3 -0.009 3.911 3.960 -0.066 0.000 0.209 287 G C 0.788 175.683 174.900 -0.009 0.000 1.145 287 G CA 0.826 45.922 45.100 -0.007 0.000 0.791 287 G HN 0.451 nan 8.290 nan 0.000 0.530 288 D N 0.265 120.659 120.400 -0.009 0.000 2.301 288 D HA 0.025 4.625 4.640 -0.066 0.000 0.206 288 D C 1.170 177.464 176.300 -0.010 0.000 0.979 288 D CA -0.117 53.877 54.000 -0.011 0.000 0.874 288 D CB 0.412 41.205 40.800 -0.012 0.000 0.968 288 D HN 0.096 nan 8.370 nan 0.000 0.510 289 I N 1.487 122.053 120.570 -0.008 0.000 2.821 289 I HA 0.213 4.344 4.170 -0.066 0.000 0.294 289 I C 1.437 177.550 176.117 -0.007 0.000 1.210 289 I CA 1.020 62.316 61.300 -0.007 0.000 1.430 289 I CB -0.242 37.755 38.000 -0.005 0.000 1.356 289 I HN 0.061 nan 8.210 nan 0.000 0.563 290 G N 5.745 114.541 108.800 -0.007 0.000 2.398 290 G HA2 0.102 4.023 3.960 -0.066 0.000 0.251 290 G HA3 0.102 4.023 3.960 -0.066 0.000 0.251 290 G C -1.091 173.804 174.900 -0.008 0.000 1.277 290 G CA -0.684 44.412 45.100 -0.007 0.000 0.927 290 G HN 0.427 nan 8.290 nan 0.000 0.477 291 T N 1.948 116.497 114.554 -0.009 0.000 2.756 291 T HA 0.571 4.882 4.350 -0.066 0.000 0.290 291 T C -0.128 174.565 174.700 -0.011 0.000 0.985 291 T CA -0.241 61.854 62.100 -0.009 0.000 0.955 291 T CB 1.360 70.223 68.868 -0.009 0.000 0.930 291 T HN 0.460 nan 8.240 nan 0.000 0.451 292 E N 3.118 123.310 120.200 -0.012 0.000 2.318 292 E HA 0.190 4.501 4.350 -0.066 0.000 0.265 292 E C -1.270 175.321 176.600 -0.015 0.000 1.069 292 E CA -1.980 54.411 56.400 -0.015 0.000 0.893 292 E CB 0.680 30.370 29.700 -0.016 0.000 1.076 292 E HN 0.327 nan 8.360 nan 0.000 0.414 293 P HA -0.104 nan 4.420 nan 0.000 0.218 293 P C -0.643 176.647 177.300 -0.016 0.000 1.149 293 P CA 1.302 64.392 63.100 -0.016 0.000 0.817 293 P CB 0.347 32.037 31.700 -0.017 0.000 0.785 294 E N -1.746 118.444 120.200 -0.017 0.000 2.383 294 E HA 0.598 4.908 4.350 -0.066 0.000 0.275 294 E C -1.018 175.572 176.600 -0.016 0.000 0.918 294 E CA -1.115 55.275 56.400 -0.017 0.000 0.764 294 E CB 2.082 31.770 29.700 -0.019 0.000 1.252 294 E HN -0.124 nan 8.360 nan 0.000 0.449 295 A N 0.518 123.330 122.820 -0.013 0.000 2.346 295 A HA 0.454 4.735 4.320 -0.066 0.000 0.252 295 A C 1.151 178.729 177.584 -0.009 0.000 1.089 295 A CA 0.371 52.403 52.037 -0.009 0.000 0.797 295 A CB 0.093 19.091 19.000 -0.004 0.000 1.047 295 A HN 0.773 nan 8.150 nan 0.000 0.494 296 G N -0.804 107.993 108.800 -0.006 0.000 2.848 296 G HA2 0.296 4.217 3.960 -0.066 0.000 0.208 296 G HA3 0.296 4.217 3.960 -0.066 0.000 0.208 296 G C 0.409 175.304 174.900 -0.007 0.000 1.152 296 G CA 0.325 45.420 45.100 -0.008 0.000 0.789 296 G HN 0.706 nan 8.290 nan 0.000 0.531 297 Q N 0.263 120.064 119.800 0.002 0.000 2.389 297 Q HA 0.294 4.595 4.340 -0.066 0.000 0.277 297 Q C -1.476 174.535 176.000 0.017 0.000 1.082 297 Q CA -1.035 54.773 55.803 0.009 0.000 0.810 297 Q CB 2.122 30.882 28.738 0.036 0.000 1.374 297 Q HN 0.031 nan 8.270 nan 0.000 0.422 298 D N 0.812 121.220 120.400 0.013 0.000 2.377 298 D HA 0.340 4.941 4.640 -0.066 0.000 0.245 298 D C -0.096 176.258 176.300 0.088 0.000 1.196 298 D CA -0.056 53.960 54.000 0.027 0.000 0.962 298 D CB 0.763 41.565 40.800 0.003 0.000 1.127 298 D HN 0.625 nan 8.370 nan 0.000 0.471 299 A N 0.368 123.233 122.820 0.076 0.000 2.386 299 A HA 0.017 4.298 4.320 -0.066 0.000 0.246 299 A C 0.644 178.372 177.584 0.240 0.000 1.089 299 A CA -0.143 51.947 52.037 0.090 0.000 0.790 299 A CB -0.082 18.933 19.000 0.024 0.000 1.042 299 A HN 0.531 nan 8.150 nan 0.000 0.497 300 Y N 0.972 121.290 120.300 0.030 0.000 2.256 300 Y HA -0.205 4.303 4.550 -0.070 0.000 0.288 300 Y C 2.903 178.838 175.900 0.059 0.000 1.155 300 Y CA 1.613 59.737 58.100 0.041 0.000 1.203 300 Y CB -1.317 37.158 38.460 0.025 0.000 0.980 300 Y HN 0.744 nan 8.280 nan 0.000 0.530 301 S N -1.095 114.733 115.700 0.213 0.000 2.500 301 S HA -0.100 4.330 4.470 -0.066 0.000 0.239 301 S C 1.762 176.468 174.600 0.177 0.000 0.989 301 S CA 1.089 59.381 58.200 0.154 0.000 0.951 301 S CB -0.524 62.742 63.200 0.110 0.000 0.759 301 S HN 0.465 nan 8.310 nan 0.000 0.523 302 L N -0.378 120.969 121.223 0.208 0.000 2.588 302 L HA 0.361 4.661 4.340 -0.066 0.000 0.194 302 L C 2.699 179.784 176.870 0.359 0.000 1.070 302 L CA 0.200 55.213 54.840 0.288 0.000 0.852 302 L CB -0.212 41.953 42.059 0.178 0.000 1.199 302 L HN 0.164 nan 8.230 nan 0.000 0.486 303 R N 0.003 120.633 120.500 0.215 0.000 2.096 303 R HA -0.141 4.159 4.340 -0.066 0.000 0.235 303 R C 1.454 177.854 176.300 0.167 0.000 1.127 303 R CA 1.804 58.004 56.100 0.167 0.000 0.968 303 R CB -0.193 30.171 30.300 0.107 0.000 0.861 303 R HN 0.394 nan 8.270 nan 0.000 0.440 304 C N 0.288 119.649 119.300 0.101 0.000 2.688 304 C HA 0.448 4.869 4.460 -0.066 0.000 0.297 304 C C 2.065 177.072 174.990 0.027 0.000 1.308 304 C CA -0.406 58.610 59.018 -0.002 0.000 1.726 304 C CB -0.380 27.259 27.740 -0.169 0.000 1.982 304 C HN 0.623 nan 8.230 nan 0.000 0.604 305 A N 2.647 125.530 122.820 0.105 0.000 1.908 305 A HA -0.095 4.185 4.320 -0.066 0.000 0.218 305 A C 0.006 177.518 177.584 -0.120 0.000 1.181 305 A CA 1.780 53.814 52.037 -0.005 0.000 0.627 305 A CB -1.525 17.475 19.000 -0.000 0.000 0.818 305 A HN 0.414 nan 8.150 nan 0.000 0.445 306 P HA -0.153 nan 4.420 nan 0.000 0.215 306 P C 1.274 178.514 177.300 -0.100 0.000 1.153 306 P CA 1.503 64.525 63.100 -0.129 0.000 0.853 306 P CB -0.045 31.621 31.700 -0.056 0.000 0.788 307 Q N -0.982 118.776 119.800 -0.071 0.000 2.079 307 Q HA -0.077 4.223 4.340 -0.066 0.000 0.200 307 Q C 2.131 178.053 176.000 -0.130 0.000 0.974 307 Q CA 1.243 56.998 55.803 -0.081 0.000 0.840 307 Q CB -1.360 27.336 28.738 -0.069 0.000 0.898 307 Q HN 0.094 nan 8.270 nan 0.000 0.430 308 V N 0.273 120.106 119.914 -0.135 0.000 2.283 308 V HA -0.189 3.891 4.120 -0.066 0.000 0.243 308 V C 2.079 178.020 176.094 -0.256 0.000 1.039 308 V CA 1.407 63.612 62.300 -0.159 0.000 1.016 308 V CB -0.563 31.193 31.823 -0.111 0.000 0.650 308 V HN 0.300 nan 8.190 nan 0.000 0.449 309 L N 0.561 121.590 121.223 -0.324 0.000 2.083 309 L HA -0.087 4.214 4.340 -0.066 0.000 0.209 309 L C 2.662 179.032 176.870 -0.834 0.000 1.083 309 L CA 1.732 56.190 54.840 -0.636 0.000 0.752 309 L CB -1.198 40.496 42.059 -0.607 0.000 0.899 309 L HN 0.484 nan 8.230 nan 0.000 0.433 310 G N -0.300 108.250 108.800 -0.418 0.000 2.440 310 G HA2 -0.265 3.656 3.960 -0.066 0.000 0.218 310 G HA3 -0.265 3.656 3.960 -0.066 0.000 0.218 310 G C 1.769 176.580 174.900 -0.148 0.000 1.154 310 G CA 0.851 45.837 45.100 -0.190 0.000 0.767 310 G HN 0.474 nan 8.290 nan 0.000 0.552 311 A N 0.771 123.473 122.820 -0.197 0.000 1.930 311 A HA 0.194 4.475 4.320 -0.066 0.000 0.217 311 A C 2.691 180.202 177.584 -0.122 0.000 1.175 311 A CA 2.006 53.941 52.037 -0.170 0.000 0.627 311 A CB -0.954 17.937 19.000 -0.182 0.000 0.815 311 A HN 0.510 nan 8.150 nan 0.000 0.443 312 G N -1.069 107.614 108.800 -0.194 0.000 2.402 312 G HA2 -0.115 3.806 3.960 -0.066 0.000 0.216 312 G HA3 -0.115 3.806 3.960 -0.066 0.000 0.216 312 G C 1.271 176.214 174.900 0.071 0.000 1.162 312 G CA 1.038 46.059 45.100 -0.131 0.000 0.777 312 G HN 0.381 nan 8.290 nan 0.000 0.539 313 F N 1.653 121.608 119.950 0.008 0.000 2.234 313 F HA 0.047 4.581 4.527 0.012 0.000 0.299 313 F C 2.278 178.103 175.800 0.042 0.000 1.087 313 F CA 0.372 58.389 58.000 0.028 0.000 1.340 313 F CB -0.537 38.473 39.000 0.017 0.000 1.031 313 F HN 0.109 nan 8.300 nan 0.000 0.500 314 D N -0.651 119.872 120.400 0.206 0.000 2.224 314 D HA -0.093 4.508 4.640 -0.066 0.000 0.205 314 D C 2.212 178.620 176.300 0.179 0.000 0.965 314 D CA 1.319 55.410 54.000 0.151 0.000 0.852 314 D CB -0.334 40.506 40.800 0.066 0.000 0.947 314 D HN 0.195 nan 8.370 nan 0.000 0.494 315 T N 1.136 115.787 114.554 0.160 0.000 2.777 315 T HA -0.108 4.203 4.350 -0.066 0.000 0.266 315 T C 1.889 176.753 174.700 0.273 0.000 1.040 315 T CA 0.362 62.596 62.100 0.223 0.000 1.141 315 T CB -0.188 68.762 68.868 0.137 0.000 0.868 315 T HN 0.042 nan 8.240 nan 0.000 0.444 316 L N 1.514 122.860 121.223 0.205 0.000 2.083 316 L HA 0.119 4.420 4.340 -0.066 0.000 0.209 316 L C 2.530 179.523 176.870 0.205 0.000 1.083 316 L CA 1.654 56.594 54.840 0.168 0.000 0.752 316 L CB -0.976 41.174 42.059 0.151 0.000 0.899 316 L HN 0.211 nan 8.230 nan 0.000 0.433 317 A N -1.248 121.696 122.820 0.206 0.000 1.902 317 A HA -0.263 4.018 4.320 -0.066 0.000 0.217 317 A C 2.115 179.843 177.584 0.240 0.000 1.181 317 A CA 1.623 53.770 52.037 0.183 0.000 0.623 317 A CB -1.385 17.712 19.000 0.161 0.000 0.818 317 A HN 0.729 nan 8.150 nan 0.000 0.443 318 W N 0.388 121.749 121.300 0.101 0.000 2.379 318 W HA -0.178 4.439 4.660 -0.071 0.000 0.307 318 W C 2.247 178.835 176.519 0.116 0.000 1.200 318 W CA 1.880 59.280 57.345 0.091 0.000 1.297 318 W CB -0.736 28.771 29.460 0.078 0.000 1.140 318 W HN 0.626 nan 8.180 nan 0.000 0.507 319 H N 0.163 119.185 119.070 -0.080 0.000 2.319 319 H HA -0.174 4.345 4.556 -0.062 0.000 0.297 319 H C 1.357 176.579 175.328 -0.177 0.000 1.097 319 H CA 2.415 58.312 56.048 -0.251 0.000 1.285 319 H CB -0.528 29.193 29.762 -0.068 0.000 1.368 319 H HN 0.060 nan 8.280 nan 0.000 0.495 320 D N 0.213 120.672 120.400 0.098 0.000 2.178 320 D HA -0.072 4.529 4.640 -0.066 0.000 0.202 320 D C 2.597 178.870 176.300 -0.045 0.000 0.974 320 D CA 0.563 54.588 54.000 0.041 0.000 0.841 320 D CB -0.204 40.662 40.800 0.109 0.000 0.953 320 D HN 0.387 nan 8.370 nan 0.000 0.478 321 R N 0.274 120.755 120.500 -0.032 0.000 2.073 321 R HA -0.056 4.244 4.340 -0.066 0.000 0.234 321 R C 2.327 178.570 176.300 -0.096 0.000 1.134 321 R CA 0.773 56.861 56.100 -0.019 0.000 0.952 321 R CB -0.454 29.882 30.300 0.059 0.000 0.850 321 R HN 0.100 nan 8.270 nan 0.000 0.433 322 V N 1.440 121.218 119.914 -0.228 0.000 2.358 322 V HA -0.222 3.859 4.120 -0.066 0.000 0.246 322 V C 2.232 178.181 176.094 -0.242 0.000 1.047 322 V CA 1.422 63.566 62.300 -0.260 0.000 1.035 322 V CB -0.455 31.100 31.823 -0.445 0.000 0.658 322 V HN 0.234 nan 8.190 nan 0.000 0.452 323 L N 0.055 121.093 121.223 -0.307 0.000 2.083 323 L HA -0.142 4.158 4.340 -0.066 0.000 0.209 323 L C 2.415 179.198 176.870 -0.144 0.000 1.083 323 L CA 2.330 57.014 54.840 -0.259 0.000 0.752 323 L CB -0.974 40.880 42.059 -0.341 0.000 0.899 323 L HN 0.335 nan 8.230 nan 0.000 0.433 324 T N -0.254 114.241 114.554 -0.098 0.000 2.788 324 T HA -0.128 4.183 4.350 -0.066 0.000 0.268 324 T C 1.957 176.639 174.700 -0.030 0.000 1.044 324 T CA 1.882 63.957 62.100 -0.040 0.000 1.139 324 T CB -0.255 68.631 68.868 0.031 0.000 0.867 324 T HN 0.320 nan 8.240 nan 0.000 0.454 325 I N 0.635 121.175 120.570 -0.051 0.000 2.252 325 I HA -0.121 4.010 4.170 -0.066 0.000 0.245 325 I C 2.701 178.765 176.117 -0.089 0.000 1.102 325 I CA 1.184 62.451 61.300 -0.056 0.000 1.385 325 I CB -0.262 37.683 38.000 -0.093 0.000 1.064 325 I HN 0.191 nan 8.210 nan 0.000 0.414 326 E N 1.315 121.441 120.200 -0.123 0.000 2.051 326 E HA -0.258 4.052 4.350 -0.066 0.000 0.192 326 E C 2.036 178.584 176.600 -0.087 0.000 0.991 326 E CA 1.313 57.642 56.400 -0.118 0.000 0.799 326 E CB -0.287 29.339 29.700 -0.124 0.000 0.748 326 E HN 0.297 nan 8.360 nan 0.000 0.449 327 L N 1.037 122.207 121.223 -0.088 0.000 2.042 327 L HA -0.118 4.183 4.340 -0.066 0.000 0.210 327 L C 1.230 178.049 176.870 -0.084 0.000 1.076 327 L CA 1.877 56.667 54.840 -0.083 0.000 0.749 327 L CB -0.488 41.514 42.059 -0.095 0.000 0.893 327 L HN 0.155 nan 8.230 nan 0.000 0.432 328 N N -0.062 118.589 118.700 -0.083 0.000 2.322 328 N HA 0.181 4.882 4.740 -0.066 0.000 0.194 328 N C 0.335 175.827 175.510 -0.030 0.000 1.126 328 N CA 0.631 53.645 53.050 -0.061 0.000 0.845 328 N CB 0.189 38.655 38.487 -0.035 0.000 0.976 328 N HN 0.443 nan 8.380 nan 0.000 0.475 329 A N 0.216 123.009 122.820 -0.044 0.000 2.248 329 A HA 0.594 4.874 4.320 -0.066 0.000 0.316 329 A C -0.027 177.535 177.584 -0.038 0.000 1.101 329 A CA -0.402 51.609 52.037 -0.044 0.000 0.875 329 A CB 1.030 19.988 19.000 -0.069 0.000 1.207 329 A HN -0.040 nan 8.150 nan 0.000 0.504 330 V N 1.154 121.046 119.914 -0.038 0.000 2.328 330 V HA 0.316 4.397 4.120 -0.066 0.000 0.278 330 V C 0.843 176.914 176.094 -0.038 0.000 1.021 330 V CA 0.385 62.667 62.300 -0.029 0.000 0.838 330 V CB 0.702 32.510 31.823 -0.026 0.000 0.999 330 V HN 1.036 nan 8.190 nan 0.000 0.447 331 T N -0.747 113.794 114.554 -0.021 0.000 3.186 331 T HA 0.207 4.517 4.350 -0.066 0.000 0.257 331 T C 0.153 174.874 174.700 0.035 0.000 1.029 331 T CA -0.530 61.563 62.100 -0.011 0.000 0.916 331 T CB -0.328 68.543 68.868 0.005 0.000 1.041 331 T HN 0.538 nan 8.240 nan 0.000 0.562 332 D N 2.495 122.907 120.400 0.019 0.000 2.357 332 D HA 0.496 5.097 4.640 -0.066 0.000 0.242 332 D C -0.100 176.220 176.300 0.033 0.000 1.153 332 D CA 0.049 54.074 54.000 0.042 0.000 0.918 332 D CB 0.488 41.294 40.800 0.009 0.000 1.181 332 D HN 0.327 nan 8.370 nan 0.000 0.435 333 N N 0.161 118.911 118.700 0.082 0.000 2.503 333 N HA 0.294 4.995 4.740 -0.066 0.000 0.287 333 N C -2.915 172.622 175.510 0.045 0.000 1.096 333 N CA -1.365 51.712 53.050 0.044 0.000 0.936 333 N CB 1.867 40.513 38.487 0.265 0.000 1.570 333 N HN 0.029 nan 8.380 nan 0.000 0.504 334 P HA 0.332 nan 4.420 nan 0.000 0.279 334 P C -0.922 176.056 177.300 -0.537 0.000 1.282 334 P CA -0.442 62.390 63.100 -0.446 0.000 0.788 334 P CB 0.939 32.183 31.700 -0.759 0.000 1.139 335 V N -3.837 115.679 119.914 -0.665 0.000 2.962 335 V HA 0.616 4.697 4.120 -0.066 0.000 0.313 335 V C -0.995 174.633 176.094 -0.778 0.000 1.099 335 V CA -0.937 60.998 62.300 -0.609 0.000 0.971 335 V CB 1.647 33.312 31.823 -0.263 0.000 1.028 335 V HN 0.224 nan 8.190 nan 0.000 0.430 336 F N 2.060 121.994 119.950 -0.027 0.000 2.311 336 F HA 0.607 5.094 4.527 -0.066 0.000 0.371 336 F C -2.391 173.403 175.800 -0.011 0.000 1.083 336 F CA -2.592 55.399 58.000 -0.015 0.000 1.113 336 F CB 1.228 40.226 39.000 -0.004 0.000 1.349 336 F HN 0.286 nan 8.300 nan 0.000 0.470 337 P HA -0.020 nan 4.420 nan 0.000 0.256 337 P C -1.991 175.352 177.300 0.071 0.000 1.173 337 P CA -0.577 62.555 63.100 0.053 0.000 0.768 337 P CB 0.408 32.127 31.700 0.033 0.000 0.758 338 P HA -0.172 nan 4.420 nan 0.000 0.220 338 P C 0.832 178.152 177.300 0.034 0.000 1.148 338 P CA 1.306 64.434 63.100 0.046 0.000 0.803 338 P CB -0.099 31.620 31.700 0.033 0.000 0.782 339 D N -1.554 118.864 120.400 0.028 0.000 2.363 339 D HA 0.023 4.623 4.640 -0.066 0.000 0.226 339 D C 1.441 177.756 176.300 0.026 0.000 1.020 339 D CA 0.805 54.819 54.000 0.022 0.000 0.892 339 D CB -1.240 39.570 40.800 0.016 0.000 0.900 339 D HN 0.173 nan 8.370 nan 0.000 0.531 340 G N 0.291 109.113 108.800 0.037 0.000 2.166 340 G HA2 -0.393 3.528 3.960 -0.066 0.000 0.260 340 G HA3 -0.393 3.528 3.960 -0.066 0.000 0.260 340 G C 1.237 176.159 174.900 0.037 0.000 0.986 340 G CA 1.215 46.339 45.100 0.040 0.000 0.683 340 G HN 0.643 nan 8.290 nan 0.000 0.527 341 S N -1.363 114.356 115.700 0.032 0.000 2.359 341 S HA 0.169 4.600 4.470 -0.066 0.000 0.224 341 S C 1.242 175.862 174.600 0.033 0.000 1.035 341 S CA 2.006 60.221 58.200 0.027 0.000 1.018 341 S CB -0.463 62.748 63.200 0.019 0.000 0.876 341 S HN 2.026 nan 8.310 nan 0.000 0.448 342 V N -3.386 116.553 119.914 0.042 0.000 3.078 342 V HA 0.571 4.652 4.120 -0.066 0.000 0.311 342 V C -2.484 173.657 176.094 0.079 0.000 1.138 342 V CA -2.171 60.160 62.300 0.052 0.000 1.007 342 V CB 1.196 33.045 31.823 0.043 0.000 1.045 342 V HN -0.098 nan 8.190 nan 0.000 0.432 343 P HA 0.195 nan 4.420 nan 0.000 0.216 343 P C 0.276 177.708 177.300 0.220 0.000 1.150 343 P CA 2.186 65.376 63.100 0.150 0.000 0.837 343 P CB 0.164 31.950 31.700 0.143 0.000 0.786 344 A N -2.029 120.868 122.820 0.127 0.000 2.597 344 A HA 0.617 4.897 4.320 -0.066 0.000 0.292 344 A C -1.836 175.709 177.584 -0.066 0.000 1.057 344 A CA -0.554 51.473 52.037 -0.017 0.000 0.674 344 A CB 0.410 19.377 19.000 -0.055 0.000 1.278 344 A HN -0.053 nan 8.150 nan 0.000 0.416 345 L N 1.194 122.289 121.223 -0.212 0.000 2.346 345 L HA 0.624 4.924 4.340 -0.066 0.000 0.274 345 L C -0.950 175.750 176.870 -0.282 0.000 1.007 345 L CA -0.696 54.063 54.840 -0.134 0.000 0.818 345 L CB 2.131 44.124 42.059 -0.111 0.000 1.284 345 L HN 0.852 nan 8.230 nan 0.000 0.424 346 H N 1.015 120.025 119.070 -0.101 0.000 2.547 346 H HA 0.737 5.253 4.556 -0.066 0.000 0.342 346 H C 0.127 175.397 175.328 -0.096 0.000 1.048 346 H CA -0.152 55.837 56.048 -0.099 0.000 1.204 346 H CB 1.982 31.686 29.762 -0.096 0.000 1.493 346 H HN 0.738 nan 8.280 nan 0.000 0.511 347 G N 0.696 109.481 108.800 -0.025 0.000 2.793 347 G HA2 0.444 4.365 3.960 -0.066 0.000 0.248 347 G HA3 0.444 4.365 3.960 -0.066 0.000 0.248 347 G C -0.286 174.487 174.900 -0.211 0.000 1.198 347 G CA -0.280 44.764 45.100 -0.093 0.000 0.865 347 G HN 0.666 nan 8.290 nan 0.000 0.534 348 G N 0.033 108.583 108.800 -0.416 0.000 4.716 348 G HA2 0.292 4.213 3.960 -0.066 0.000 0.282 348 G HA3 0.292 4.213 3.960 -0.066 0.000 0.282 348 G C 0.247 174.542 174.900 -1.008 0.000 1.173 348 G CA -0.125 44.364 45.100 -1.019 0.000 0.913 348 G HN 0.261 nan 8.290 nan 0.000 0.566 349 N N 0.871 119.197 118.700 -0.623 0.000 2.609 349 N HA -0.045 4.656 4.740 -0.066 0.000 0.190 349 N C 1.519 176.866 175.510 -0.271 0.000 1.157 349 N CA 0.346 53.186 53.050 -0.350 0.000 0.918 349 N CB -0.156 38.218 38.487 -0.189 0.000 0.978 349 N HN 0.629 nan 8.380 nan 0.000 0.448 350 F N -1.169 118.763 119.950 -0.030 0.000 2.789 350 F HA 0.323 4.811 4.527 -0.066 0.000 0.300 350 F C 0.816 176.613 175.800 -0.006 0.000 1.132 350 F CA -0.761 57.227 58.000 -0.020 0.000 1.404 350 F CB -0.726 38.262 39.000 -0.021 0.000 1.114 350 F HN -0.166 nan 8.300 nan 0.000 0.584 351 M N 2.709 122.263 119.600 -0.077 0.000 2.350 351 M HA 0.361 4.802 4.480 -0.066 0.000 0.338 351 M C 0.953 177.292 176.300 0.066 0.000 1.559 351 M CA -0.502 54.841 55.300 0.072 0.000 1.217 351 M CB 0.196 32.761 32.600 -0.059 0.000 1.808 351 M HN 0.230 nan 8.290 nan 0.000 0.458 352 G N 3.470 112.330 108.800 0.100 0.000 3.452 352 G HA2 0.035 3.956 3.960 -0.066 0.000 0.258 352 G HA3 0.035 3.956 3.960 -0.066 0.000 0.258 352 G C 0.665 175.601 174.900 0.060 0.000 1.305 352 G CA -0.195 44.949 45.100 0.074 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N -0.083 119.749 119.800 0.054 0.000 2.224 353 Q HA -0.079 4.222 4.340 -0.066 0.000 0.203 353 Q C 1.910 177.879 176.000 -0.051 0.000 0.970 353 Q CA 1.384 57.185 55.803 -0.002 0.000 0.865 353 Q CB -0.098 28.617 28.738 -0.039 0.000 0.922 353 Q HN 0.719 nan 8.270 nan 0.000 0.445 354 H N -1.753 117.293 119.070 -0.040 0.000 2.326 354 H HA -0.056 4.460 4.556 -0.066 0.000 0.301 354 H C 1.785 177.033 175.328 -0.133 0.000 1.081 354 H CA 1.752 57.750 56.048 -0.083 0.000 1.334 354 H CB 0.014 29.714 29.762 -0.104 0.000 1.385 354 H HN 0.067 nan 8.280 nan 0.000 0.504 355 V N 0.514 120.434 119.914 0.011 0.000 2.515 355 V HA -0.212 3.869 4.120 -0.066 0.000 0.250 355 V C 2.480 178.563 176.094 -0.019 0.000 1.058 355 V CA 1.370 63.639 62.300 -0.051 0.000 1.064 355 V CB -0.900 30.904 31.823 -0.030 0.000 0.675 355 V HN 0.563 nan 8.190 nan 0.000 0.461 356 A N 0.068 122.890 122.820 0.003 0.000 1.858 356 A HA -0.155 4.126 4.320 -0.066 0.000 0.216 356 A C 2.200 179.798 177.584 0.023 0.000 1.190 356 A CA 1.800 53.849 52.037 0.021 0.000 0.617 356 A CB -0.510 18.504 19.000 0.023 0.000 0.827 356 A HN 0.486 nan 8.150 nan 0.000 0.443 357 L N -0.157 121.069 121.223 0.004 0.000 2.093 357 L HA -0.137 4.163 4.340 -0.066 0.000 0.208 357 L C 2.975 179.889 176.870 0.073 0.000 1.085 357 L CA 1.764 56.635 54.840 0.053 0.000 0.755 357 L CB -0.891 41.211 42.059 0.072 0.000 0.904 357 L HN 0.662 nan 8.230 nan 0.000 0.435 358 T N -4.629 109.870 114.554 -0.090 0.000 2.904 358 T HA -0.087 4.224 4.350 -0.066 0.000 0.267 358 T C 2.027 176.805 174.700 0.129 0.000 1.059 358 T CA 1.220 63.219 62.100 -0.168 0.000 1.137 358 T CB -0.210 68.348 68.868 -0.517 0.000 0.879 358 T HN 0.111 nan 8.240 nan 0.000 0.467 359 S N 1.614 117.385 115.700 0.118 0.000 2.368 359 S HA -0.091 4.340 4.470 -0.066 0.000 0.224 359 S C 1.847 176.509 174.600 0.104 0.000 1.029 359 S CA 1.187 59.479 58.200 0.153 0.000 0.988 359 S CB -0.522 62.744 63.200 0.110 0.000 0.838 359 S HN 0.516 nan 8.310 nan 0.000 0.462 360 D N 1.586 122.042 120.400 0.092 0.000 2.144 360 D HA 0.020 4.621 4.640 -0.066 0.000 0.200 360 D C 2.100 178.454 176.300 0.090 0.000 0.978 360 D CA 1.142 55.190 54.000 0.079 0.000 0.833 360 D CB -0.387 40.455 40.800 0.070 0.000 0.961 360 D HN 0.373 nan 8.370 nan 0.000 0.470 361 A N 0.657 123.565 122.820 0.147 0.000 1.898 361 A HA -0.120 4.160 4.320 -0.066 0.000 0.216 361 A C 2.135 179.789 177.584 0.118 0.000 1.181 361 A CA 0.880 53.023 52.037 0.176 0.000 0.620 361 A CB -0.651 18.578 19.000 0.382 0.000 0.819 361 A HN 0.240 nan 8.150 nan 0.000 0.442 362 L N -0.199 121.088 121.223 0.107 0.000 2.093 362 L HA -0.020 4.281 4.340 -0.066 0.000 0.208 362 L C 2.636 179.492 176.870 -0.022 0.000 1.085 362 L CA 2.030 56.878 54.840 0.014 0.000 0.755 362 L CB -0.799 41.192 42.059 -0.112 0.000 0.904 362 L HN 0.341 nan 8.230 nan 0.000 0.435 363 A N -1.538 121.284 122.820 0.003 0.000 1.908 363 A HA -0.219 4.061 4.320 -0.066 0.000 0.218 363 A C 2.267 179.826 177.584 -0.042 0.000 1.181 363 A CA 2.359 54.389 52.037 -0.011 0.000 0.627 363 A CB -1.203 17.808 19.000 0.018 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.445 364 T N 0.196 114.734 114.554 -0.025 0.000 2.746 364 T HA 0.002 4.312 4.350 -0.066 0.000 0.267 364 T C 2.235 176.878 174.700 -0.096 0.000 1.039 364 T CA 1.557 63.630 62.100 -0.046 0.000 1.142 364 T CB -0.449 68.408 68.868 -0.019 0.000 0.866 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.967 123.731 122.820 -0.094 0.000 1.902 365 A HA -0.050 4.231 4.320 -0.066 0.000 0.217 365 A C 2.578 179.986 177.584 -0.292 0.000 1.181 365 A CA 1.315 53.261 52.037 -0.151 0.000 0.623 365 A CB -1.026 17.919 19.000 -0.092 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.443 366 V N -0.218 119.513 119.914 -0.306 0.000 2.343 366 V HA -0.225 3.855 4.120 -0.066 0.000 0.247 366 V C 2.730 178.495 176.094 -0.549 0.000 1.051 366 V CA 2.460 64.431 62.300 -0.547 0.000 1.036 366 V CB -1.182 30.487 31.823 -0.257 0.000 0.654 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 T N -0.251 114.129 114.554 -0.291 0.000 2.821 367 T HA -0.139 4.172 4.350 -0.066 0.000 0.267 367 T C 1.938 176.499 174.700 -0.232 0.000 1.046 367 T CA 1.491 63.462 62.100 -0.215 0.000 1.139 367 T CB -0.145 68.654 68.868 -0.114 0.000 0.871 367 T HN 0.286 nan 8.240 nan 0.000 0.454 368 V N 1.190 120.964 119.914 -0.233 0.000 2.307 368 V HA -0.090 3.990 4.120 -0.066 0.000 0.245 368 V C 2.374 178.319 176.094 -0.247 0.000 1.045 368 V CA 1.310 63.492 62.300 -0.196 0.000 1.024 368 V CB -0.537 31.186 31.823 -0.167 0.000 0.651 368 V HN 0.320 nan 8.190 nan 0.000 0.449 369 L N 0.304 121.283 121.223 -0.407 0.000 2.141 369 L HA -0.016 4.284 4.340 -0.066 0.000 0.209 369 L C 2.536 179.174 176.870 -0.386 0.000 1.094 369 L CA 2.012 56.597 54.840 -0.425 0.000 0.763 369 L CB -1.169 40.505 42.059 -0.642 0.000 0.908 369 L HN 0.282 nan 8.230 nan 0.000 0.437 370 A N -0.555 121.906 122.820 -0.598 0.000 1.969 370 A HA -0.043 4.237 4.320 -0.066 0.000 0.218 370 A C 2.423 179.972 177.584 -0.058 0.000 1.169 370 A CA 1.437 53.316 52.037 -0.263 0.000 0.635 370 A CB -1.188 17.678 19.000 -0.224 0.000 0.810 370 A HN 0.416 nan 8.150 nan 0.000 0.445 371 G N -0.072 108.668 108.800 -0.101 0.000 2.422 371 G HA2 -0.128 3.792 3.960 -0.066 0.000 0.218 371 G HA3 -0.128 3.792 3.960 -0.066 0.000 0.218 371 G C 1.472 176.369 174.900 -0.005 0.000 1.146 371 G CA 1.176 46.252 45.100 -0.039 0.000 0.769 371 G HN 0.492 nan 8.290 nan 0.000 0.547 372 L N 1.463 122.677 121.223 -0.014 0.000 1.994 372 L HA 0.129 4.430 4.340 -0.066 0.000 0.208 372 L C 3.043 179.953 176.870 0.067 0.000 1.071 372 L CA 2.348 57.203 54.840 0.025 0.000 0.745 372 L CB -0.841 41.224 42.059 0.010 0.000 0.892 372 L HN 0.219 nan 8.230 nan 0.000 0.431 373 A N -0.894 121.990 122.820 0.107 0.000 1.908 373 A HA -0.241 4.040 4.320 -0.066 0.000 0.218 373 A C 2.329 179.971 177.584 0.096 0.000 1.181 373 A CA 1.782 53.902 52.037 0.139 0.000 0.627 373 A CB -0.794 18.350 19.000 0.240 0.000 0.818 373 A HN 0.607 nan 8.150 nan 0.000 0.445 374 E N -0.100 120.148 120.200 0.081 0.000 2.110 374 E HA -0.190 4.121 4.350 -0.066 0.000 0.193 374 E C 2.034 178.667 176.600 0.054 0.000 0.988 374 E CA 0.841 57.279 56.400 0.063 0.000 0.804 374 E CB -0.196 29.534 29.700 0.051 0.000 0.745 374 E HN 0.383 nan 8.360 nan 0.000 0.458 375 R N 0.289 120.819 120.500 0.049 0.000 2.148 375 R HA -0.014 4.287 4.340 -0.066 0.000 0.223 375 R C 2.342 178.672 176.300 0.050 0.000 1.088 375 R CA 0.711 56.839 56.100 0.045 0.000 0.985 375 R CB -0.324 30.001 30.300 0.041 0.000 0.880 375 R HN 0.389 nan 8.270 nan 0.000 0.451 376 Q N 0.032 119.867 119.800 0.059 0.000 2.119 376 Q HA -0.021 4.280 4.340 -0.066 0.000 0.201 376 Q C 2.148 178.174 176.000 0.044 0.000 0.972 376 Q CA 1.062 56.901 55.803 0.060 0.000 0.847 376 Q CB -0.045 28.738 28.738 0.075 0.000 0.903 376 Q HN 0.300 nan 8.270 nan 0.000 0.433 377 I N 0.578 121.174 120.570 0.043 0.000 2.252 377 I HA -0.247 3.883 4.170 -0.066 0.000 0.245 377 I C 2.410 178.557 176.117 0.050 0.000 1.102 377 I CA 0.883 62.203 61.300 0.033 0.000 1.385 377 I CB -0.398 37.624 38.000 0.037 0.000 1.064 377 I HN 0.146 nan 8.210 nan 0.000 0.414 378 A N 0.806 123.661 122.820 0.058 0.000 1.940 378 A HA -0.251 4.030 4.320 -0.066 0.000 0.219 378 A C 2.438 180.044 177.584 0.036 0.000 1.176 378 A CA 1.915 53.991 52.037 0.064 0.000 0.631 378 A CB -0.613 18.421 19.000 0.056 0.000 0.814 378 A HN 0.397 nan 8.150 nan 0.000 0.446 379 R N -1.003 119.511 120.500 0.024 0.000 2.075 379 R HA -0.004 4.297 4.340 -0.066 0.000 0.226 379 R C 2.017 178.311 176.300 -0.009 0.000 1.114 379 R CA 1.289 57.392 56.100 0.006 0.000 0.972 379 R CB -0.390 29.920 30.300 0.016 0.000 0.869 379 R HN 0.387 nan 8.270 nan 0.000 0.437 380 L N 1.207 122.430 121.223 0.001 0.000 2.131 380 L HA -0.109 4.191 4.340 -0.066 0.000 0.210 380 L C 1.959 178.811 176.870 -0.030 0.000 1.092 380 L CA 2.423 57.256 54.840 -0.012 0.000 0.759 380 L CB -0.459 41.594 42.059 -0.010 0.000 0.903 380 L HN 0.439 nan 8.230 nan 0.000 0.435 381 T N -4.337 110.205 114.554 -0.021 0.000 3.081 381 T HA 0.031 4.341 4.350 -0.066 0.000 0.250 381 T C 0.742 175.252 174.700 -0.317 0.000 1.100 381 T CA -0.118 61.947 62.100 -0.058 0.000 1.038 381 T CB -0.443 68.523 68.868 0.163 0.000 0.962 381 T HN 0.244 nan 8.240 nan 0.000 0.516 382 D N 2.673 122.948 120.400 -0.209 0.000 2.339 382 D HA 0.071 4.672 4.640 -0.066 0.000 0.241 382 D C 1.321 177.501 176.300 -0.201 0.000 1.183 382 D CA -0.285 53.567 54.000 -0.247 0.000 0.859 382 D CB 1.253 41.989 40.800 -0.105 0.000 1.067 382 D HN 0.617 nan 8.370 nan 0.000 0.484 383 E N 3.299 123.349 120.200 -0.249 0.000 2.267 383 E HA -0.208 4.103 4.350 -0.066 0.000 0.197 383 E C 1.076 177.626 176.600 -0.084 0.000 0.998 383 E CA 0.814 57.128 56.400 -0.142 0.000 0.830 383 E CB 0.076 29.704 29.700 -0.120 0.000 0.751 383 E HN 0.373 nan 8.360 nan 0.000 0.491 384 R N 0.030 120.483 120.500 -0.078 0.000 2.240 384 R HA 0.162 4.463 4.340 -0.066 0.000 0.203 384 R C 1.807 178.082 176.300 -0.042 0.000 1.011 384 R CA 0.615 56.687 56.100 -0.047 0.000 1.007 384 R CB 0.159 30.437 30.300 -0.037 0.000 0.911 384 R HN 0.278 nan 8.270 nan 0.000 0.468 385 L N 0.133 121.326 121.223 -0.050 0.000 2.749 385 L HA 0.115 4.416 4.340 -0.066 0.000 0.242 385 L C 0.616 177.466 176.870 -0.034 0.000 1.103 385 L CA -0.097 54.721 54.840 -0.037 0.000 0.906 385 L CB 0.121 42.161 42.059 -0.032 0.000 1.228 385 L HN 0.119 nan 8.230 nan 0.000 0.517 386 N N 0.942 119.615 118.700 -0.045 0.000 2.362 386 N HA -0.039 4.662 4.740 -0.066 0.000 0.211 386 N C -0.009 175.484 175.510 -0.027 0.000 1.170 386 N CA -0.291 52.738 53.050 -0.035 0.000 0.828 386 N CB -0.225 38.234 38.487 -0.047 0.000 1.034 386 N HN 0.073 nan 8.380 nan 0.000 0.475 387 R N -0.375 120.110 120.500 -0.026 0.000 3.188 387 R HA -0.176 4.124 4.340 -0.066 0.000 0.247 387 R C 0.814 177.103 176.300 -0.019 0.000 0.918 387 R CA 0.513 56.601 56.100 -0.020 0.000 0.629 387 R CB -2.074 28.216 30.300 -0.017 0.000 1.087 387 R HN 0.641 nan 8.270 nan 0.000 0.462 388 G N -0.908 107.879 108.800 -0.021 0.000 2.194 388 G HA2 -0.308 3.613 3.960 -0.066 0.000 0.236 388 G HA3 -0.308 3.613 3.960 -0.066 0.000 0.236 388 G C 0.279 175.167 174.900 -0.020 0.000 0.987 388 G CA 0.081 45.170 45.100 -0.018 0.000 0.635 388 G HN 0.281 nan 8.290 nan 0.000 0.520 389 L N 1.586 122.794 121.223 -0.025 0.000 2.436 389 L HA 0.420 4.720 4.340 -0.066 0.000 0.265 389 L C -1.583 175.267 176.870 -0.033 0.000 1.168 389 L CA -1.995 52.828 54.840 -0.027 0.000 0.815 389 L CB 0.606 42.651 42.059 -0.023 0.000 1.109 389 L HN -0.082 nan 8.230 nan 0.000 0.462 390 P HA 0.046 nan 4.420 nan 0.000 0.269 390 P C -2.483 174.830 177.300 0.021 0.000 1.209 390 P CA -0.920 62.162 63.100 -0.030 0.000 0.776 390 P CB -0.173 31.401 31.700 -0.211 0.000 0.876 391 P HA -0.006 nan 4.420 nan 0.000 0.267 391 P C -0.272 177.061 177.300 0.056 0.000 1.209 391 P CA 0.346 63.379 63.100 -0.112 0.000 0.763 391 P CB -0.176 31.507 31.700 -0.028 0.000 0.816 392 F N 1.669 121.716 119.950 0.161 0.000 3.034 392 F HA -0.240 4.247 4.527 -0.067 0.000 0.286 392 F C 1.295 177.265 175.800 0.282 0.000 0.804 392 F CA 0.306 58.425 58.000 0.199 0.000 1.161 392 F CB -2.651 36.454 39.000 0.176 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.622 119.764 121.223 0.271 0.000 3.737 393 L HA -0.314 3.986 4.340 -0.066 0.000 0.418 393 L C 1.315 178.330 176.870 0.241 0.000 1.216 393 L CA 1.055 56.034 54.840 0.232 0.000 0.915 393 L CB -1.966 40.264 42.059 0.285 0.000 1.834 393 L HN 0.703 nan 8.230 nan 0.000 0.943 394 H N 0.463 119.646 119.070 0.188 0.000 2.603 394 H HA 0.652 5.168 4.556 -0.066 0.000 0.370 394 H C 0.260 175.635 175.328 0.079 0.000 1.225 394 H CA -0.459 55.655 56.048 0.111 0.000 1.410 394 H CB 0.904 30.726 29.762 0.099 0.000 1.495 394 H HN 0.300 nan 8.280 nan 0.000 0.602 395 R N 0.091 120.610 120.500 0.031 0.000 2.892 395 R HA 0.480 4.780 4.340 -0.066 0.000 0.265 395 R C -0.274 176.125 176.300 0.165 0.000 1.025 395 R CA -0.255 55.837 56.100 -0.013 0.000 0.982 395 R CB 2.062 32.368 30.300 0.011 0.000 1.185 395 R HN 1.095 nan 8.270 nan 0.000 0.484 396 G N 1.361 110.229 108.800 0.114 0.000 2.760 396 G HA2 -0.185 3.736 3.960 -0.066 0.000 0.246 396 G HA3 -0.185 3.736 3.960 -0.066 0.000 0.246 396 G C -2.742 172.283 174.900 0.208 0.000 1.359 396 G CA -1.225 43.953 45.100 0.129 0.000 0.861 396 G HN 0.382 nan 8.290 nan 0.000 0.541 397 P HA 0.465 nan 4.420 nan 0.000 0.267 397 P C 0.444 177.758 177.300 0.024 0.000 1.205 397 P CA 0.770 63.930 63.100 0.100 0.000 0.765 397 P CB 0.776 32.502 31.700 0.042 0.000 0.828 398 A N 3.511 126.333 122.820 0.004 0.000 2.483 398 A HA 0.449 4.729 4.320 -0.066 0.000 0.238 398 A C 1.629 179.092 177.584 -0.201 0.000 1.070 398 A CA 0.869 52.693 52.037 -0.355 0.000 0.770 398 A CB -1.064 17.870 19.000 -0.109 0.000 1.008 398 A HN 0.816 nan 8.150 nan 0.000 0.497 399 G N 0.390 109.052 108.800 -0.230 0.000 3.329 399 G HA2 -0.316 3.605 3.960 -0.066 0.000 0.220 399 G HA3 -0.316 3.605 3.960 -0.066 0.000 0.220 399 G C 1.095 175.938 174.900 -0.096 0.000 1.358 399 G CA 0.578 45.612 45.100 -0.111 0.000 0.856 399 G HN 0.894 nan 8.290 nan 0.000 0.551 400 L N 1.009 122.184 121.223 -0.080 0.000 2.191 400 L HA 0.130 4.431 4.340 -0.066 0.000 0.212 400 L C 0.809 177.643 176.870 -0.061 0.000 1.103 400 L CA 0.924 55.733 54.840 -0.052 0.000 0.769 400 L CB -0.270 41.773 42.059 -0.027 0.000 0.908 400 L HN 0.319 nan 8.230 nan 0.000 0.438 401 N N -1.480 117.160 118.700 -0.101 0.000 2.258 401 N HA 0.212 4.912 4.740 -0.066 0.000 0.299 401 N C -0.116 175.306 175.510 -0.146 0.000 1.047 401 N CA -0.131 52.871 53.050 -0.080 0.000 0.814 401 N CB 2.143 40.644 38.487 0.023 0.000 1.413 401 N HN -0.227 nan 8.380 nan 0.000 0.478 402 S N 0.098 115.756 115.700 -0.070 0.000 2.559 402 S HA 0.257 4.687 4.470 -0.066 0.000 0.226 402 S C 1.255 175.889 174.600 0.057 0.000 1.000 402 S CA 0.060 58.235 58.200 -0.043 0.000 0.948 402 S CB 0.510 63.639 63.200 -0.119 0.000 0.870 402 S HN 0.934 nan 8.310 nan 0.000 0.497 403 G N 2.459 111.283 108.800 0.040 0.000 2.629 403 G HA2 -0.341 3.580 3.960 -0.066 0.000 0.313 403 G HA3 -0.341 3.580 3.960 -0.066 0.000 0.313 403 G C 0.195 174.972 174.900 -0.205 0.000 1.217 403 G CA 0.741 45.820 45.100 -0.036 0.000 0.994 403 G HN 0.457 nan 8.290 nan 0.000 0.549 404 F N 1.363 121.396 119.950 0.138 0.000 2.663 404 F HA 0.486 4.978 4.527 -0.058 0.000 0.299 404 F C 2.348 178.170 175.800 0.036 0.000 1.143 404 F CA 0.878 58.932 58.000 0.089 0.000 1.387 404 F CB 0.159 39.227 39.000 0.115 0.000 1.019 404 F HN 0.333 nan 8.300 nan 0.000 0.523 405 M N 0.031 119.620 119.600 -0.018 0.000 2.108 405 M HA -0.127 4.314 4.480 -0.066 0.000 0.261 405 M C 2.419 178.583 176.300 -0.228 0.000 1.066 405 M CA 2.250 57.268 55.300 -0.471 0.000 1.107 405 M CB -0.475 31.582 32.600 -0.905 0.000 1.356 405 M HN 0.332 nan 8.290 nan 0.000 0.406 406 G N -0.760 107.964 108.800 -0.127 0.000 2.404 406 G HA2 -0.128 3.792 3.960 -0.066 0.000 0.215 406 G HA3 -0.128 3.792 3.960 -0.066 0.000 0.215 406 G C 1.485 176.385 174.900 -0.000 0.000 1.174 406 G CA 0.783 45.841 45.100 -0.070 0.000 0.780 406 G HN 0.618 nan 8.290 nan 0.000 0.537 407 A N -0.058 122.800 122.820 0.064 0.000 1.978 407 A HA -0.106 4.174 4.320 -0.066 0.000 0.220 407 A C 2.271 179.915 177.584 0.100 0.000 1.170 407 A CA 2.049 54.153 52.037 0.113 0.000 0.636 407 A CB -0.403 18.742 19.000 0.242 0.000 0.810 407 A HN 0.397 nan 8.150 nan 0.000 0.448 408 Q N 0.047 119.917 119.800 0.117 0.000 2.079 408 Q HA -0.114 4.187 4.340 -0.066 0.000 0.200 408 Q C 2.081 178.124 176.000 0.071 0.000 0.974 408 Q CA 1.992 57.864 55.803 0.115 0.000 0.840 408 Q CB -0.263 28.590 28.738 0.191 0.000 0.898 408 Q HN 0.437 nan 8.270 nan 0.000 0.430 409 V N 0.502 120.438 119.914 0.036 0.000 2.427 409 V HA -0.197 3.883 4.120 -0.066 0.000 0.248 409 V C 2.356 178.465 176.094 0.024 0.000 1.051 409 V CA 2.000 64.312 62.300 0.021 0.000 1.048 409 V CB -0.810 31.007 31.823 -0.010 0.000 0.666 409 V HN 0.369 nan 8.190 nan 0.000 0.456 410 T N 0.433 115.002 114.554 0.025 0.000 2.788 410 T HA -0.172 4.139 4.350 -0.066 0.000 0.268 410 T C 2.063 176.783 174.700 0.032 0.000 1.044 410 T CA 1.623 63.738 62.100 0.025 0.000 1.139 410 T CB -0.365 68.518 68.868 0.026 0.000 0.867 410 T HN 0.576 nan 8.240 nan 0.000 0.454 411 A N 1.143 123.987 122.820 0.041 0.000 1.902 411 A HA -0.129 4.152 4.320 -0.066 0.000 0.217 411 A C 2.548 180.158 177.584 0.043 0.000 1.181 411 A CA 2.101 54.164 52.037 0.045 0.000 0.623 411 A CB -1.184 17.846 19.000 0.050 0.000 0.818 411 A HN 0.478 nan 8.150 nan 0.000 0.443 412 T N 0.278 114.856 114.554 0.041 0.000 2.746 412 T HA -0.002 4.309 4.350 -0.066 0.000 0.267 412 T C 2.218 176.934 174.700 0.027 0.000 1.039 412 T CA 1.512 63.633 62.100 0.035 0.000 1.142 412 T CB -0.434 68.455 68.868 0.035 0.000 0.866 412 T HN 0.597 nan 8.240 nan 0.000 0.444 413 A N 1.271 124.106 122.820 0.025 0.000 1.902 413 A HA 0.018 4.298 4.320 -0.066 0.000 0.217 413 A C 2.300 179.897 177.584 0.022 0.000 1.181 413 A CA 1.155 53.204 52.037 0.020 0.000 0.623 413 A CB -0.819 18.190 19.000 0.016 0.000 0.818 413 A HN 0.475 nan 8.150 nan 0.000 0.443 414 L N -1.162 120.078 121.223 0.028 0.000 2.046 414 L HA -0.160 4.140 4.340 -0.066 0.000 0.208 414 L C 2.570 179.460 176.870 0.033 0.000 1.077 414 L CA 1.216 56.076 54.840 0.033 0.000 0.747 414 L CB -0.561 41.523 42.059 0.042 0.000 0.896 414 L HN 0.477 nan 8.230 nan 0.000 0.432 415 L N 0.291 121.534 121.223 0.032 0.000 2.046 415 L HA -0.120 4.180 4.340 -0.066 0.000 0.208 415 L C 2.643 179.521 176.870 0.012 0.000 1.077 415 L CA 1.960 56.813 54.840 0.022 0.000 0.747 415 L CB -0.686 41.385 42.059 0.020 0.000 0.896 415 L HN 0.131 nan 8.230 nan 0.000 0.432 416 A N -0.809 122.020 122.820 0.014 0.000 1.908 416 A HA -0.285 3.995 4.320 -0.066 0.000 0.218 416 A C 2.338 179.928 177.584 0.010 0.000 1.181 416 A CA 1.900 53.943 52.037 0.011 0.000 0.627 416 A CB -0.763 18.244 19.000 0.012 0.000 0.818 416 A HN 0.638 nan 8.150 nan 0.000 0.445 417 E N -0.674 119.534 120.200 0.014 0.000 2.106 417 E HA -0.179 4.132 4.350 -0.066 0.000 0.192 417 E C 2.041 178.650 176.600 0.014 0.000 0.984 417 E CA 1.261 57.669 56.400 0.014 0.000 0.806 417 E CB -0.196 29.514 29.700 0.017 0.000 0.750 417 E HN 0.681 nan 8.360 nan 0.000 0.458 418 M N -0.032 119.576 119.600 0.015 0.000 2.108 418 M HA -0.171 4.269 4.480 -0.066 0.000 0.261 418 M C 2.323 178.625 176.300 0.003 0.000 1.066 418 M CA 1.550 56.856 55.300 0.011 0.000 1.107 418 M CB -0.205 32.397 32.600 0.004 0.000 1.356 418 M HN 0.013 nan 8.290 nan 0.000 0.406 419 R N 0.152 120.651 120.500 -0.001 0.000 2.193 419 R HA -0.045 4.255 4.340 -0.066 0.000 0.229 419 R C 2.198 178.502 176.300 0.005 0.000 1.110 419 R CA 1.162 57.261 56.100 -0.002 0.000 0.988 419 R CB -0.473 29.824 30.300 -0.004 0.000 0.871 419 R HN 0.378 nan 8.270 nan 0.000 0.458 420 A N 0.537 123.362 122.820 0.009 0.000 2.121 420 A HA -0.034 4.247 4.320 -0.066 0.000 0.218 420 A C 0.751 178.345 177.584 0.016 0.000 1.154 420 A CA 0.919 52.963 52.037 0.011 0.000 0.679 420 A CB 0.080 19.085 19.000 0.010 0.000 0.795 420 A HN 0.108 nan 8.150 nan 0.000 0.458 421 T N 0.069 114.634 114.554 0.018 0.000 2.771 421 T HA 0.552 4.863 4.350 -0.066 0.000 0.281 421 T C 0.465 175.186 174.700 0.034 0.000 0.982 421 T CA 0.044 62.159 62.100 0.026 0.000 0.978 421 T CB 1.531 70.413 68.868 0.024 0.000 0.930 421 T HN 0.363 nan 8.240 nan 0.000 0.447 422 G N 3.059 111.893 108.800 0.056 0.000 2.828 422 G HA2 0.667 4.587 3.960 -0.066 0.000 0.244 422 G HA3 0.667 4.587 3.960 -0.066 0.000 0.244 422 G C -2.629 172.318 174.900 0.079 0.000 1.365 422 G CA -1.579 43.558 45.100 0.062 0.000 1.041 422 G HN 0.438 nan 8.290 nan 0.000 0.560 423 P HA 0.266 nan 4.420 nan 0.000 0.266 423 P C 0.329 177.697 177.300 0.114 0.000 1.195 423 P CA 0.333 63.471 63.100 0.063 0.000 0.768 423 P CB 1.358 33.071 31.700 0.022 0.000 0.838 424 A N 2.103 124.992 122.820 0.114 0.000 1.984 424 A HA -0.049 4.232 4.320 -0.066 0.000 0.214 424 A C 2.064 179.728 177.584 0.134 0.000 1.173 424 A CA 1.075 53.218 52.037 0.175 0.000 0.673 424 A CB -1.043 18.026 19.000 0.114 0.000 0.830 424 A HN 0.478 nan 8.150 nan 0.000 0.453 425 S N 0.608 116.339 115.700 0.051 0.000 2.420 425 S HA -0.186 4.245 4.470 -0.066 0.000 0.237 425 S C 1.686 176.258 174.600 -0.046 0.000 1.023 425 S CA 1.575 59.784 58.200 0.014 0.000 0.991 425 S CB -0.701 62.504 63.200 0.009 0.000 0.792 425 S HN 0.796 nan 8.310 nan 0.000 0.488 426 I N -1.329 119.143 120.570 -0.164 0.000 3.444 426 I HA 0.051 4.182 4.170 -0.066 0.000 0.287 426 I C 0.735 176.633 176.117 -0.364 0.000 1.302 426 I CA 0.978 62.112 61.300 -0.277 0.000 1.368 426 I CB -0.359 37.426 38.000 -0.359 0.000 1.048 426 I HN 0.168 nan 8.210 nan 0.000 0.487 427 H N 1.234 120.314 119.070 0.017 0.000 2.524 427 H HA 0.307 4.824 4.556 -0.066 0.000 0.299 427 H C 0.650 175.989 175.328 0.019 0.000 1.074 427 H CA -0.214 55.844 56.048 0.017 0.000 1.115 427 H CB 0.120 29.892 29.762 0.017 0.000 1.522 427 H HN 0.301 nan 8.280 nan 0.000 0.543 428 S N 1.236 116.981 115.700 0.075 0.000 2.552 428 S HA 0.184 4.615 4.470 -0.066 0.000 0.289 428 S C 0.278 174.915 174.600 0.062 0.000 1.304 428 S CA -0.212 58.026 58.200 0.063 0.000 1.063 428 S CB -0.025 63.197 63.200 0.038 0.000 0.848 428 S HN 0.289 nan 8.310 nan 0.000 0.499 429 I N 3.433 124.038 120.570 0.059 0.000 2.533 429 I HA 0.222 4.353 4.170 -0.066 0.000 0.290 429 I C 0.096 176.238 176.117 0.042 0.000 1.056 429 I CA -0.642 60.688 61.300 0.049 0.000 1.057 429 I CB 2.124 40.154 38.000 0.050 0.000 1.240 429 I HN 0.577 nan 8.210 nan 0.000 0.423 430 S N 3.954 119.676 115.700 0.037 0.000 2.537 430 S HA 0.259 4.690 4.470 -0.066 0.000 0.286 430 S C -0.202 174.419 174.600 0.034 0.000 1.299 430 S CA 0.430 58.650 58.200 0.035 0.000 1.067 430 S CB 0.287 63.504 63.200 0.030 0.000 0.864 430 S HN 0.769 nan 8.310 nan 0.000 0.494 431 T N 3.095 117.670 114.554 0.036 0.000 2.696 431 T HA 0.419 4.729 4.350 -0.066 0.000 0.291 431 T C -0.395 174.326 174.700 0.035 0.000 1.095 431 T CA -0.134 61.986 62.100 0.034 0.000 1.026 431 T CB 0.824 69.713 68.868 0.035 0.000 1.390 431 T HN 0.913 nan 8.240 nan 0.000 0.513 432 N N 0.643 119.363 118.700 0.034 0.000 2.727 432 N HA -0.217 4.483 4.740 -0.066 0.000 0.251 432 N C 0.255 175.785 175.510 0.033 0.000 1.040 432 N CA 0.767 53.838 53.050 0.036 0.000 0.712 432 N CB -1.166 37.346 38.487 0.042 0.000 0.912 432 N HN 1.543 nan 8.380 nan 0.000 0.545 433 A N -0.600 122.236 122.820 0.027 0.000 2.745 433 A HA 0.011 4.291 4.320 -0.066 0.000 0.296 433 A C 1.337 178.937 177.584 0.027 0.000 1.500 433 A CA 2.043 54.095 52.037 0.024 0.000 0.766 433 A CB -2.274 16.740 19.000 0.023 0.000 1.030 433 A HN 2.246 nan 8.150 nan 0.000 0.489 434 A N -2.315 120.522 122.820 0.028 0.000 3.413 434 A HA -0.366 3.915 4.320 -0.066 0.000 0.268 434 A C 1.404 179.008 177.584 0.033 0.000 1.128 434 A CA 2.084 54.139 52.037 0.029 0.000 1.062 434 A CB -2.523 16.492 19.000 0.024 0.000 1.121 434 A HN 2.225 nan 8.150 nan 0.000 0.895 435 N N -0.014 118.709 118.700 0.037 0.000 2.142 435 N HA -0.093 4.607 4.740 -0.066 0.000 0.186 435 N C 0.993 176.533 175.510 0.050 0.000 1.023 435 N CA 1.852 54.929 53.050 0.044 0.000 0.852 435 N CB -0.161 38.356 38.487 0.050 0.000 0.998 435 N HN 0.749 nan 8.380 nan 0.000 0.424 436 Q N 0.583 120.413 119.800 0.049 0.000 3.091 436 Q HA 0.060 4.361 4.340 -0.066 0.000 0.301 436 Q C -0.398 175.633 176.000 0.052 0.000 1.337 436 Q CA -0.271 55.566 55.803 0.058 0.000 1.083 436 Q CB 0.522 29.290 28.738 0.050 0.000 1.477 436 Q HN 0.515 nan 8.270 nan 0.000 0.537 437 D N -0.475 119.954 120.400 0.048 0.000 2.348 437 D HA -0.081 4.520 4.640 -0.066 0.000 0.216 437 D C 0.675 176.999 176.300 0.040 0.000 0.970 437 D CA 0.428 54.451 54.000 0.039 0.000 0.889 437 D CB 0.098 40.918 40.800 0.032 0.000 0.912 437 D HN 0.205 nan 8.370 nan 0.000 0.524 438 V N -1.722 118.221 119.914 0.048 0.000 2.686 438 V HA 0.748 4.828 4.120 -0.066 0.000 0.306 438 V C -0.426 175.705 176.094 0.062 0.000 1.065 438 V CA -1.211 61.117 62.300 0.046 0.000 0.894 438 V CB 1.878 33.722 31.823 0.036 0.000 1.004 438 V HN 0.104 nan 8.190 nan 0.000 0.424 439 V N 1.095 121.044 119.914 0.058 0.000 2.962 439 V HA 0.773 4.853 4.120 -0.066 0.000 0.313 439 V C 1.084 177.215 176.094 0.061 0.000 1.099 439 V CA 0.279 62.621 62.300 0.070 0.000 0.971 439 V CB 1.442 33.304 31.823 0.065 0.000 1.028 439 V HN 1.307 nan 8.190 nan 0.000 0.430 440 S N 2.750 118.491 115.700 0.068 0.000 2.395 440 S HA 0.073 4.503 4.470 -0.066 0.000 0.225 440 S C 1.169 175.801 174.600 0.053 0.000 1.027 440 S CA 1.168 59.401 58.200 0.055 0.000 0.965 440 S CB -0.875 62.361 63.200 0.060 0.000 0.812 440 S HN 1.395 nan 8.310 nan 0.000 0.482 441 L N 0.305 121.563 121.223 0.059 0.000 4.040 441 L HA -0.197 4.103 4.340 -0.066 0.000 0.410 441 L C 1.499 178.402 176.870 0.054 0.000 1.187 441 L CA 0.029 54.904 54.840 0.059 0.000 0.956 441 L CB -2.290 39.812 42.059 0.073 0.000 2.022 441 L HN 0.537 nan 8.230 nan 0.000 0.897 442 G N -0.384 108.446 108.800 0.050 0.000 2.432 442 G HA2 -0.202 3.719 3.960 -0.066 0.000 0.219 442 G HA3 -0.202 3.719 3.960 -0.066 0.000 0.219 442 G C 1.280 176.206 174.900 0.043 0.000 1.135 442 G CA 1.388 46.515 45.100 0.044 0.000 0.767 442 G HN 0.474 nan 8.290 nan 0.000 0.550 443 T N 1.327 115.906 114.554 0.041 0.000 2.777 443 T HA -0.022 4.289 4.350 -0.066 0.000 0.266 443 T C 2.379 177.102 174.700 0.038 0.000 1.040 443 T CA 0.940 63.061 62.100 0.036 0.000 1.141 443 T CB -0.128 68.757 68.868 0.029 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.647 122.242 120.570 0.041 0.000 2.226 444 I HA -0.159 3.972 4.170 -0.066 0.000 0.245 444 I C 3.018 179.165 176.117 0.050 0.000 1.100 444 I CA 1.069 62.395 61.300 0.042 0.000 1.374 444 I CB -0.557 37.470 38.000 0.045 0.000 1.057 444 I HN 0.208 nan 8.210 nan 0.000 0.413 445 A N 0.874 123.727 122.820 0.056 0.000 1.883 445 A HA -0.224 4.057 4.320 -0.066 0.000 0.217 445 A C 2.550 180.172 177.584 0.063 0.000 1.186 445 A CA 2.119 54.193 52.037 0.061 0.000 0.624 445 A CB -0.950 18.086 19.000 0.060 0.000 0.822 445 A HN 0.439 nan 8.150 nan 0.000 0.444 446 A N -0.521 122.337 122.820 0.063 0.000 1.933 446 A HA -0.150 4.131 4.320 -0.066 0.000 0.218 446 A C 2.251 179.874 177.584 0.066 0.000 1.175 446 A CA 1.541 53.622 52.037 0.074 0.000 0.628 446 A CB -0.436 18.606 19.000 0.070 0.000 0.814 446 A HN 0.559 nan 8.150 nan 0.000 0.444 447 R N -0.587 119.946 120.500 0.053 0.000 2.092 447 R HA 0.028 4.329 4.340 -0.066 0.000 0.231 447 R C 1.991 178.320 176.300 0.048 0.000 1.119 447 R CA 1.280 57.409 56.100 0.048 0.000 0.970 447 R CB -0.432 29.890 30.300 0.036 0.000 0.864 447 R HN 0.501 nan 8.270 nan 0.000 0.440 448 L N -0.266 120.986 121.223 0.048 0.000 2.093 448 L HA -0.212 4.088 4.340 -0.066 0.000 0.208 448 L C 2.742 179.641 176.870 0.049 0.000 1.085 448 L CA 0.738 55.605 54.840 0.045 0.000 0.755 448 L CB -0.508 41.579 42.059 0.046 0.000 0.904 448 L HN 0.373 nan 8.230 nan 0.000 0.435 449 C N 0.385 119.717 119.300 0.054 0.000 2.446 449 C HA -0.161 4.260 4.460 -0.066 0.000 0.277 449 C C 3.105 178.134 174.990 0.065 0.000 1.275 449 C CA 0.924 59.974 59.018 0.052 0.000 1.727 449 C CB -0.540 27.233 27.740 0.054 0.000 2.010 449 C HN 0.500 nan 8.230 nan 0.000 0.486 450 R N 1.280 121.822 120.500 0.070 0.000 2.091 450 R HA -0.083 4.217 4.340 -0.066 0.000 0.238 450 R C 2.088 178.436 176.300 0.079 0.000 1.136 450 R CA 2.005 58.154 56.100 0.080 0.000 0.959 450 R CB -0.844 29.501 30.300 0.076 0.000 0.856 450 R HN 0.534 nan 8.270 nan 0.000 0.437 451 E N 0.697 120.936 120.200 0.065 0.000 2.110 451 E HA -0.170 4.141 4.350 -0.066 0.000 0.193 451 E C 1.835 178.478 176.600 0.071 0.000 0.988 451 E CA 1.319 57.755 56.400 0.060 0.000 0.804 451 E CB -0.092 29.636 29.700 0.046 0.000 0.745 451 E HN 0.436 nan 8.360 nan 0.000 0.458 452 K N 0.291 120.734 120.400 0.071 0.000 2.097 452 K HA -0.013 4.268 4.320 -0.066 0.000 0.205 452 K C 2.296 178.983 176.600 0.144 0.000 1.050 452 K CA 0.728 57.061 56.287 0.076 0.000 0.938 452 K CB -0.101 32.422 32.500 0.038 0.000 0.718 452 K HN 0.087 nan 8.250 nan 0.000 0.442 453 I N 1.500 122.168 120.570 0.164 0.000 2.286 453 I HA -0.284 3.847 4.170 -0.066 0.000 0.248 453 I C 1.552 177.789 176.117 0.199 0.000 1.115 453 I CA 1.167 62.620 61.300 0.254 0.000 1.392 453 I CB -0.239 37.878 38.000 0.196 0.000 1.065 453 I HN 0.151 nan 8.210 nan 0.000 0.418 454 D N 0.539 121.015 120.400 0.127 0.000 2.144 454 D HA -0.123 4.477 4.640 -0.066 0.000 0.200 454 D C 2.330 178.683 176.300 0.088 0.000 0.978 454 D CA 0.892 54.943 54.000 0.085 0.000 0.833 454 D CB -0.194 40.645 40.800 0.065 0.000 0.961 454 D HN 0.184 nan 8.370 nan 0.000 0.470 455 R N -0.079 120.489 120.500 0.114 0.000 2.092 455 R HA -0.108 4.193 4.340 -0.066 0.000 0.231 455 R C 2.124 178.531 176.300 0.179 0.000 1.119 455 R CA 0.435 56.602 56.100 0.111 0.000 0.970 455 R CB -1.028 29.328 30.300 0.093 0.000 0.864 455 R HN 0.341 nan 8.270 nan 0.000 0.440 456 W N 1.945 123.243 121.300 -0.003 0.000 2.358 456 W HA -0.091 4.511 4.660 -0.097 0.000 0.303 456 W C 2.095 178.602 176.519 -0.019 0.000 1.208 456 W CA 1.389 58.732 57.345 -0.004 0.000 1.274 456 W CB -0.628 28.837 29.460 0.008 0.000 1.138 456 W HN 0.136 nan 8.180 nan 0.000 0.515 457 A N 0.190 123.014 122.820 0.006 0.000 1.902 457 A HA -0.232 4.048 4.320 -0.066 0.000 0.217 457 A C 1.869 179.368 177.584 -0.142 0.000 1.181 457 A CA 2.003 53.928 52.037 -0.186 0.000 0.623 457 A CB -0.790 18.126 19.000 -0.140 0.000 0.818 457 A HN 0.454 nan 8.150 nan 0.000 0.443 458 E N -0.408 119.765 120.200 -0.045 0.000 2.106 458 E HA -0.096 4.215 4.350 -0.066 0.000 0.192 458 E C 1.831 178.413 176.600 -0.030 0.000 0.984 458 E CA 1.100 57.475 56.400 -0.042 0.000 0.806 458 E CB -0.238 29.461 29.700 -0.002 0.000 0.750 458 E HN 0.703 nan 8.360 nan 0.000 0.458 459 I N 0.769 121.358 120.570 0.030 0.000 2.252 459 I HA -0.262 3.868 4.170 -0.066 0.000 0.245 459 I C 2.187 178.312 176.117 0.014 0.000 1.102 459 I CA 0.939 62.274 61.300 0.058 0.000 1.385 459 I CB -0.117 37.972 38.000 0.150 0.000 1.064 459 I HN 0.110 nan 8.210 nan 0.000 0.414 460 L N 0.391 121.593 121.223 -0.034 0.000 2.083 460 L HA -0.184 4.117 4.340 -0.066 0.000 0.209 460 L C 2.821 179.581 176.870 -0.183 0.000 1.083 460 L CA 1.176 55.952 54.840 -0.107 0.000 0.752 460 L CB -0.662 41.244 42.059 -0.255 0.000 0.899 460 L HN 0.239 nan 8.230 nan 0.000 0.433 461 A N 0.391 123.072 122.820 -0.231 0.000 1.902 461 A HA -0.189 4.092 4.320 -0.066 0.000 0.217 461 A C 2.208 179.664 177.584 -0.213 0.000 1.181 461 A CA 1.546 53.412 52.037 -0.285 0.000 0.623 461 A CB -0.636 18.206 19.000 -0.263 0.000 0.818 461 A HN 0.347 nan 8.150 nan 0.000 0.443 462 I N -0.844 119.648 120.570 -0.130 0.000 2.226 462 I HA -0.230 3.901 4.170 -0.066 0.000 0.245 462 I C 2.418 178.449 176.117 -0.144 0.000 1.100 462 I CA 1.218 62.460 61.300 -0.097 0.000 1.374 462 I CB -0.282 37.702 38.000 -0.027 0.000 1.057 462 I HN 0.392 nan 8.210 nan 0.000 0.413 463 L N 1.203 122.366 121.223 -0.100 0.000 2.083 463 L HA -0.143 4.157 4.340 -0.066 0.000 0.209 463 L C 2.518 179.324 176.870 -0.106 0.000 1.083 463 L CA 2.082 56.872 54.840 -0.083 0.000 0.752 463 L CB -0.814 41.240 42.059 -0.008 0.000 0.899 463 L HN 0.184 nan 8.230 nan 0.000 0.433 464 A N -0.534 122.220 122.820 -0.110 0.000 1.877 464 A HA -0.149 4.132 4.320 -0.066 0.000 0.216 464 A C 2.255 179.760 177.584 -0.131 0.000 1.186 464 A CA 1.924 53.914 52.037 -0.080 0.000 0.620 464 A CB -0.857 18.060 19.000 -0.138 0.000 0.822 464 A HN 0.491 nan 8.150 nan 0.000 0.443 465 L N -0.908 120.188 121.223 -0.213 0.000 2.093 465 L HA -0.230 4.070 4.340 -0.066 0.000 0.208 465 L C 2.719 179.342 176.870 -0.412 0.000 1.085 465 L CA 1.122 55.838 54.840 -0.207 0.000 0.755 465 L CB -0.692 41.297 42.059 -0.116 0.000 0.904 465 L HN 0.486 nan 8.230 nan 0.000 0.435 466 C N -0.169 118.754 119.300 -0.628 0.000 2.432 466 C HA -0.139 4.281 4.460 -0.066 0.000 0.277 466 C C 2.749 177.539 174.990 -0.334 0.000 1.249 466 C CA 0.512 59.055 59.018 -0.793 0.000 1.725 466 C CB -0.721 26.696 27.740 -0.539 0.000 2.028 466 C HN 0.429 nan 8.230 nan 0.000 0.477 467 L N 0.845 121.961 121.223 -0.178 0.000 2.141 467 L HA -0.123 4.178 4.340 -0.066 0.000 0.209 467 L C 2.840 179.696 176.870 -0.023 0.000 1.094 467 L CA 1.393 56.195 54.840 -0.063 0.000 0.763 467 L CB -0.669 41.385 42.059 -0.008 0.000 0.908 467 L HN 0.342 nan 8.230 nan 0.000 0.437 468 A N -0.282 122.526 122.820 -0.019 0.000 1.902 468 A HA -0.291 3.990 4.320 -0.066 0.000 0.217 468 A C 2.214 179.827 177.584 0.048 0.000 1.181 468 A CA 1.956 54.014 52.037 0.035 0.000 0.623 468 A CB -0.497 18.540 19.000 0.061 0.000 0.818 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.394 119.435 119.800 0.048 0.000 2.046 469 Q HA 0.007 4.308 4.340 -0.066 0.000 0.200 469 Q C 2.065 178.103 176.000 0.064 0.000 0.975 469 Q CA 1.987 57.856 55.803 0.110 0.000 0.836 469 Q CB -0.487 28.410 28.738 0.264 0.000 0.896 469 Q HN 0.543 nan 8.270 nan 0.000 0.428 470 A N 0.391 123.222 122.820 0.018 0.000 1.933 470 A HA -0.079 4.201 4.320 -0.066 0.000 0.218 470 A C 2.283 179.878 177.584 0.018 0.000 1.175 470 A CA 1.723 53.767 52.037 0.012 0.000 0.628 470 A CB -1.138 17.855 19.000 -0.012 0.000 0.814 470 A HN 0.547 nan 8.150 nan 0.000 0.444 471 A N -0.090 122.744 122.820 0.022 0.000 1.902 471 A HA -0.165 4.116 4.320 -0.066 0.000 0.217 471 A C 1.911 179.513 177.584 0.029 0.000 1.181 471 A CA 1.613 53.667 52.037 0.027 0.000 0.623 471 A CB -0.478 18.543 19.000 0.034 0.000 0.818 471 A HN 0.646 nan 8.150 nan 0.000 0.443 472 E N -0.263 119.959 120.200 0.036 0.000 2.152 472 E HA -0.057 4.253 4.350 -0.066 0.000 0.192 472 E C 1.891 178.506 176.600 0.026 0.000 0.983 472 E CA 0.807 57.228 56.400 0.035 0.000 0.818 472 E CB -0.222 29.505 29.700 0.046 0.000 0.758 472 E HN 0.609 nan 8.360 nan 0.000 0.467 473 L N 0.425 121.663 121.223 0.024 0.000 2.109 473 L HA -0.124 4.177 4.340 -0.066 0.000 0.207 473 L C 2.633 179.506 176.870 0.005 0.000 1.086 473 L CA 0.866 55.712 54.840 0.010 0.000 0.760 473 L CB -0.133 41.929 42.059 0.004 0.000 0.910 473 L HN 0.010 nan 8.230 nan 0.000 0.437 474 R N -0.218 120.287 120.500 0.008 0.000 2.075 474 R HA -0.042 4.258 4.340 -0.066 0.000 0.226 474 R C 1.754 178.059 176.300 0.009 0.000 1.114 474 R CA 1.600 57.703 56.100 0.006 0.000 0.972 474 R CB -0.377 29.928 30.300 0.008 0.000 0.869 474 R HN 0.345 nan 8.270 nan 0.000 0.437 475 C N 0.268 119.576 119.300 0.014 0.000 3.104 475 C HA 0.651 5.071 4.460 -0.066 0.000 0.284 475 C C 0.607 175.607 174.990 0.015 0.000 1.326 475 C CA -0.361 58.666 59.018 0.015 0.000 1.725 475 C CB -0.794 26.957 27.740 0.018 0.000 2.156 475 C HN 0.745 nan 8.230 nan 0.000 0.638 476 G N 1.759 110.568 108.800 0.015 0.000 2.781 476 G HA2 -0.161 3.760 3.960 -0.066 0.000 0.683 476 G HA3 -0.161 3.760 3.960 -0.066 0.000 0.683 476 G C 0.735 175.647 174.900 0.021 0.000 1.390 476 G CA 0.067 45.176 45.100 0.016 0.000 0.850 476 G HN 0.791 nan 8.290 nan 0.000 0.557 477 S N -0.675 115.038 115.700 0.022 0.000 2.419 477 S HA 0.028 4.459 4.470 -0.066 0.000 0.235 477 S C 2.409 177.024 174.600 0.024 0.000 1.019 477 S CA 1.916 60.131 58.200 0.026 0.000 0.982 477 S CB -0.242 62.973 63.200 0.024 0.000 0.789 477 S HN 2.170 nan 8.310 nan 0.000 0.490 478 G N 0.840 109.652 108.800 0.020 0.000 2.744 478 G HA2 0.333 4.254 3.960 -0.066 0.000 0.211 478 G HA3 0.333 4.254 3.960 -0.066 0.000 0.211 478 G C 0.540 175.452 174.900 0.020 0.000 1.143 478 G CA -0.043 45.069 45.100 0.019 0.000 0.788 478 G HN 0.606 nan 8.290 nan 0.000 0.534 479 L N 0.923 122.159 121.223 0.022 0.000 3.677 479 L HA -0.141 4.160 4.340 -0.066 0.000 0.464 479 L C -0.918 175.964 176.870 0.020 0.000 1.278 479 L CA -0.143 54.711 54.840 0.023 0.000 0.806 479 L CB -1.667 40.408 42.059 0.027 0.000 1.610 479 L HN 0.209 nan 8.230 nan 0.000 0.867 480 D N 1.316 121.726 120.400 0.017 0.000 2.417 480 D HA 0.312 4.913 4.640 -0.066 0.000 0.250 480 D C 1.343 177.652 176.300 0.015 0.000 1.166 480 D CA 1.349 55.358 54.000 0.015 0.000 0.881 480 D CB 1.395 42.203 40.800 0.013 0.000 1.164 480 D HN 0.542 nan 8.370 nan 0.000 0.467 481 G N 1.501 110.310 108.800 0.015 0.000 2.225 481 G HA2 -0.277 3.644 3.960 -0.066 0.000 0.254 481 G HA3 -0.277 3.644 3.960 -0.066 0.000 0.254 481 G C 0.446 175.357 174.900 0.018 0.000 0.988 481 G CA 0.056 45.165 45.100 0.015 0.000 0.625 481 G HN 0.512 nan 8.290 nan 0.000 0.527 482 V N 2.690 122.617 119.914 0.021 0.000 2.614 482 V HA 0.497 4.578 4.120 -0.066 0.000 0.291 482 V C 1.480 177.589 176.094 0.024 0.000 1.049 482 V CA 0.138 62.453 62.300 0.025 0.000 1.038 482 V CB 1.349 33.189 31.823 0.028 0.000 0.980 482 V HN 1.066 nan 8.190 nan 0.000 0.481 483 S N 5.215 120.932 115.700 0.028 0.000 2.569 483 S HA 0.102 4.533 4.470 -0.066 0.000 0.274 483 S C -1.703 172.909 174.600 0.020 0.000 1.353 483 S CA -0.560 57.655 58.200 0.025 0.000 1.023 483 S CB 0.378 63.598 63.200 0.033 0.000 0.876 483 S HN 0.586 nan 8.310 nan 0.000 0.540 484 P HA -0.036 nan 4.420 nan 0.000 0.215 484 P C 1.629 178.933 177.300 0.006 0.000 1.153 484 P CA 1.871 64.977 63.100 0.010 0.000 0.853 484 P CB -0.240 31.464 31.700 0.006 0.000 0.788 485 A N -0.194 122.627 122.820 0.002 0.000 1.902 485 A HA -0.074 4.207 4.320 -0.066 0.000 0.217 485 A C 2.489 180.069 177.584 -0.006 0.000 1.181 485 A CA 2.070 54.100 52.037 -0.012 0.000 0.623 485 A CB -1.888 17.100 19.000 -0.019 0.000 0.818 485 A HN 0.266 nan 8.150 nan 0.000 0.443 486 G N -0.321 108.486 108.800 0.012 0.000 2.421 486 G HA2 -0.239 3.682 3.960 -0.066 0.000 0.216 486 G HA3 -0.239 3.682 3.960 -0.066 0.000 0.216 486 G C 1.686 176.603 174.900 0.029 0.000 1.171 486 G CA 1.143 46.257 45.100 0.024 0.000 0.775 486 G HN 0.567 nan 8.290 nan 0.000 0.543 487 K N 0.204 120.619 120.400 0.025 0.000 2.032 487 K HA -0.086 4.195 4.320 -0.066 0.000 0.209 487 K C 2.459 179.077 176.600 0.030 0.000 1.048 487 K CA 1.399 57.703 56.287 0.028 0.000 0.927 487 K CB -0.156 32.358 32.500 0.023 0.000 0.712 487 K HN 0.256 nan 8.250 nan 0.000 0.441 488 K N 1.332 121.744 120.400 0.020 0.000 2.063 488 K HA -0.148 4.133 4.320 -0.066 0.000 0.208 488 K C 2.160 178.780 176.600 0.034 0.000 1.048 488 K CA 1.055 57.354 56.287 0.020 0.000 0.928 488 K CB -0.103 32.399 32.500 0.004 0.000 0.713 488 K HN 0.109 nan 8.250 nan 0.000 0.442 489 L N 0.563 121.803 121.223 0.029 0.000 1.994 489 L HA -0.177 4.123 4.340 -0.066 0.000 0.208 489 L C 2.084 179.021 176.870 0.112 0.000 1.071 489 L CA 1.184 56.060 54.840 0.060 0.000 0.745 489 L CB -0.189 41.887 42.059 0.028 0.000 0.892 489 L HN 0.022 nan 8.230 nan 0.000 0.431 490 V N -0.015 119.952 119.914 0.089 0.000 2.343 490 V HA -0.320 3.761 4.120 -0.066 0.000 0.247 490 V C 2.486 178.635 176.094 0.092 0.000 1.051 490 V CA 2.087 64.444 62.300 0.094 0.000 1.036 490 V CB -0.722 31.144 31.823 0.071 0.000 0.654 490 V HN 0.556 nan 8.190 nan 0.000 0.451 491 Q N -0.122 119.721 119.800 0.071 0.000 2.124 491 Q HA -0.165 4.136 4.340 -0.066 0.000 0.202 491 Q C 2.433 178.475 176.000 0.069 0.000 0.977 491 Q CA 1.702 57.542 55.803 0.061 0.000 0.850 491 Q CB -0.425 28.339 28.738 0.043 0.000 0.901 491 Q HN 0.681 nan 8.270 nan 0.000 0.429 492 A N 0.950 123.820 122.820 0.084 0.000 1.902 492 A HA -0.152 4.129 4.320 -0.066 0.000 0.217 492 A C 2.071 179.727 177.584 0.120 0.000 1.181 492 A CA 1.066 53.159 52.037 0.093 0.000 0.623 492 A CB -0.614 18.457 19.000 0.119 0.000 0.818 492 A HN 0.273 nan 8.150 nan 0.000 0.443 493 L N -1.156 120.172 121.223 0.174 0.000 2.056 493 L HA -0.133 4.168 4.340 -0.066 0.000 0.207 493 L C 2.661 179.676 176.870 0.241 0.000 1.078 493 L CA 0.883 55.879 54.840 0.259 0.000 0.749 493 L CB -0.433 41.765 42.059 0.232 0.000 0.901 493 L HN 0.243 nan 8.230 nan 0.000 0.433 494 R N 0.099 120.690 120.500 0.152 0.000 2.241 494 R HA -0.177 4.124 4.340 -0.066 0.000 0.224 494 R C 1.913 178.240 176.300 0.045 0.000 1.101 494 R CA 0.761 56.926 56.100 0.109 0.000 0.995 494 R CB -0.381 29.968 30.300 0.082 0.000 0.870 494 R HN 0.320 nan 8.270 nan 0.000 0.463 495 E N 0.366 120.578 120.200 0.020 0.000 2.274 495 E HA -0.116 4.194 4.350 -0.066 0.000 0.194 495 E C 1.167 177.697 176.600 -0.117 0.000 0.996 495 E CA 1.120 57.499 56.400 -0.034 0.000 0.840 495 E CB 0.311 29.994 29.700 -0.028 0.000 0.772 495 E HN 0.141 nan 8.360 nan 0.000 0.491 496 Q N -1.467 118.210 119.800 -0.205 0.000 2.288 496 Q HA 0.175 4.476 4.340 -0.066 0.000 0.256 496 Q C -0.527 175.033 176.000 -0.734 0.000 0.835 496 Q CA 0.172 55.664 55.803 -0.517 0.000 0.958 496 Q CB 0.792 29.065 28.738 -0.775 0.000 1.125 496 Q HN 0.152 nan 8.270 nan 0.000 0.513 497 F N 2.181 122.127 119.950 -0.006 0.000 2.434 497 F HA 0.438 4.928 4.527 -0.062 0.000 0.355 497 F C -2.147 173.670 175.800 0.029 0.000 1.115 497 F CA -2.591 55.416 58.000 0.012 0.000 1.010 497 F CB 1.368 40.379 39.000 0.019 0.000 1.234 497 F HN -0.206 nan 8.300 nan 0.000 0.439 498 P HA 0.175 nan 4.420 nan 0.000 0.270 498 P C -2.455 174.921 177.300 0.127 0.000 1.223 498 P CA -0.944 62.216 63.100 0.100 0.000 0.785 498 P CB 0.151 31.885 31.700 0.056 0.000 0.923 499 P HA 0.077 nan 4.420 nan 0.000 0.270 499 P C -0.676 176.676 177.300 0.087 0.000 1.223 499 P CA -0.076 63.090 63.100 0.109 0.000 0.785 499 P CB 0.282 32.029 31.700 0.080 0.000 0.923 500 L N 2.114 123.390 121.223 0.089 0.000 2.397 500 L HA 0.151 4.451 4.340 -0.066 0.000 0.263 500 L C 0.941 177.815 176.870 0.007 0.000 1.136 500 L CA 0.560 55.400 54.840 -0.001 0.000 1.019 500 L CB -0.800 41.171 42.059 -0.148 0.000 1.352 500 L HN 0.312 nan 8.230 nan 0.000 0.420 501 E N 0.796 121.005 120.200 0.015 0.000 2.285 501 E HA 0.016 4.326 4.350 -0.066 0.000 0.194 501 E C 0.269 176.879 176.600 0.017 0.000 0.997 501 E CA 0.447 56.859 56.400 0.020 0.000 0.845 501 E CB 0.311 30.024 29.700 0.021 0.000 0.782 501 E HN 0.552 nan 8.360 nan 0.000 0.491 502 T N 0.335 114.888 114.554 -0.002 0.000 2.885 502 T HA 0.101 4.411 4.350 -0.066 0.000 0.322 502 T C -1.813 172.863 174.700 -0.040 0.000 1.387 502 T CA -0.984 61.114 62.100 -0.004 0.000 1.041 502 T CB 1.413 70.281 68.868 0.000 0.000 1.287 502 T HN -0.221 nan 8.240 nan 0.000 0.491 503 D N 2.889 123.260 120.400 -0.048 0.000 2.525 503 D HA 0.332 4.933 4.640 -0.066 0.000 0.235 503 D C 0.612 176.870 176.300 -0.069 0.000 1.137 503 D CA 0.691 54.641 54.000 -0.083 0.000 0.868 503 D CB 0.361 41.118 40.800 -0.072 0.000 1.180 503 D HN 0.698 nan 8.370 nan 0.000 0.465 504 R N 0.310 120.758 120.500 -0.086 0.000 2.692 504 R HA 0.600 4.901 4.340 -0.066 0.000 0.269 504 R C -3.158 173.109 176.300 -0.054 0.000 1.030 504 R CA -1.709 54.358 56.100 -0.054 0.000 0.882 504 R CB 0.324 30.602 30.300 -0.037 0.000 1.250 504 R HN 0.006 nan 8.270 nan 0.000 0.465 505 P HA 0.106 nan 4.420 nan 0.000 0.264 505 P C -0.277 177.020 177.300 -0.005 0.000 1.193 505 P CA -0.194 62.895 63.100 -0.019 0.000 0.763 505 P CB 0.563 32.258 31.700 -0.009 0.000 0.810 506 L N 1.698 122.921 121.223 -0.001 0.000 2.731 506 L HA 0.174 4.475 4.340 -0.066 0.000 0.240 506 L C 2.307 179.199 176.870 0.036 0.000 1.120 506 L CA 0.389 55.246 54.840 0.027 0.000 0.913 506 L CB -0.312 41.770 42.059 0.037 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.225 109.039 108.800 0.024 0.000 2.529 507 G HA2 -0.302 3.619 3.960 -0.066 0.000 0.219 507 G HA3 -0.302 3.619 3.960 -0.066 0.000 0.219 507 G C 1.403 176.321 174.900 0.030 0.000 1.177 507 G CA 0.717 45.830 45.100 0.022 0.000 0.773 507 G HN 0.378 nan 8.290 nan 0.000 0.573 508 Q N -0.130 119.693 119.800 0.038 0.000 2.167 508 Q HA -0.065 4.236 4.340 -0.066 0.000 0.202 508 Q C 2.500 178.553 176.000 0.088 0.000 0.970 508 Q CA 1.199 57.033 55.803 0.051 0.000 0.855 508 Q CB -0.082 28.683 28.738 0.044 0.000 0.911 508 Q HN 0.629 nan 8.270 nan 0.000 0.438 509 E N 0.583 120.851 120.200 0.114 0.000 2.106 509 E HA -0.133 4.177 4.350 -0.066 0.000 0.192 509 E C 1.948 178.571 176.600 0.038 0.000 0.984 509 E CA 0.689 57.212 56.400 0.204 0.000 0.806 509 E CB 0.008 29.846 29.700 0.230 0.000 0.750 509 E HN 0.327 nan 8.360 nan 0.000 0.458 510 I N 1.119 121.682 120.570 -0.012 0.000 2.179 510 I HA -0.282 3.849 4.170 -0.066 0.000 0.242 510 I C 2.534 178.619 176.117 -0.054 0.000 1.088 510 I CA 1.035 62.293 61.300 -0.070 0.000 1.357 510 I CB -0.288 37.695 38.000 -0.027 0.000 1.051 510 I HN 0.092 nan 8.210 nan 0.000 0.409 511 A N 0.657 123.475 122.820 -0.003 0.000 1.902 511 A HA -0.155 4.126 4.320 -0.066 0.000 0.217 511 A C 2.533 180.132 177.584 0.024 0.000 1.181 511 A CA 1.855 53.895 52.037 0.007 0.000 0.623 511 A CB -0.844 18.169 19.000 0.020 0.000 0.818 511 A HN 0.435 nan 8.150 nan 0.000 0.443 512 A N -0.590 122.275 122.820 0.074 0.000 1.877 512 A HA -0.025 4.256 4.320 -0.066 0.000 0.216 512 A C 2.127 179.801 177.584 0.149 0.000 1.186 512 A CA 1.734 53.851 52.037 0.132 0.000 0.620 512 A CB -0.615 18.517 19.000 0.219 0.000 0.822 512 A HN 0.661 nan 8.150 nan 0.000 0.443 513 L N -0.251 121.016 121.223 0.073 0.000 2.093 513 L HA -0.012 4.289 4.340 -0.066 0.000 0.208 513 L C 2.651 179.443 176.870 -0.129 0.000 1.085 513 L CA 2.016 56.806 54.840 -0.083 0.000 0.755 513 L CB -0.814 40.923 42.059 -0.536 0.000 0.904 513 L HN 0.347 nan 8.230 nan 0.000 0.435 514 A N -1.549 121.190 122.820 -0.135 0.000 1.908 514 A HA -0.225 4.055 4.320 -0.066 0.000 0.218 514 A C 2.265 179.788 177.584 -0.102 0.000 1.181 514 A CA 2.329 54.275 52.037 -0.152 0.000 0.627 514 A CB -1.219 17.722 19.000 -0.098 0.000 0.818 514 A HN 0.499 nan 8.150 nan 0.000 0.445 515 T N -1.397 113.142 114.554 -0.025 0.000 2.788 515 T HA -0.172 4.139 4.350 -0.066 0.000 0.268 515 T C 1.854 176.562 174.700 0.012 0.000 1.044 515 T CA 1.926 64.030 62.100 0.008 0.000 1.139 515 T CB -0.390 68.503 68.868 0.041 0.000 0.867 515 T HN 0.812 nan 8.240 nan 0.000 0.454 516 H N 1.149 120.178 119.070 -0.069 0.000 2.326 516 H HA 0.120 4.637 4.556 -0.066 0.000 0.301 516 H C 2.006 177.255 175.328 -0.132 0.000 1.081 516 H CA 1.190 57.201 56.048 -0.062 0.000 1.334 516 H CB -0.518 29.234 29.762 -0.017 0.000 1.385 516 H HN 0.238 nan 8.280 nan 0.000 0.504 517 L N 0.003 121.007 121.223 -0.364 0.000 2.127 517 L HA -0.180 4.121 4.340 -0.066 0.000 0.211 517 L C 2.285 178.973 176.870 -0.303 0.000 1.089 517 L CA 1.038 55.517 54.840 -0.602 0.000 0.757 517 L CB -0.509 41.029 42.059 -0.869 0.000 0.899 517 L HN 0.335 nan 8.230 nan 0.000 0.434 518 L N -0.844 120.254 121.223 -0.208 0.000 2.376 518 L HA -0.148 4.152 4.340 -0.066 0.000 0.219 518 L C 2.175 179.008 176.870 -0.061 0.000 1.133 518 L CA 0.931 55.720 54.840 -0.085 0.000 0.816 518 L CB -0.176 41.868 42.059 -0.025 0.000 0.933 518 L HN 0.374 nan 8.230 nan 0.000 0.449 519 Q N -1.621 118.052 119.800 -0.213 0.000 2.280 519 Q HA 0.198 4.499 4.340 -0.066 0.000 0.244 519 Q C 0.008 175.562 176.000 -0.743 0.000 0.847 519 Q CA 0.058 55.701 55.803 -0.266 0.000 0.945 519 Q CB 1.068 29.768 28.738 -0.063 0.000 1.115 519 Q HN 0.423 nan 8.270 nan 0.000 0.513 520 Q N -0.128 119.208 119.800 -0.775 0.000 2.389 520 Q HA 0.489 4.790 4.340 -0.066 0.000 0.277 520 Q C -1.261 174.617 176.000 -0.204 0.000 1.082 520 Q CA -0.432 54.995 55.803 -0.627 0.000 0.810 520 Q CB 2.724 31.226 28.738 -0.394 0.000 1.374 520 Q HN -0.063 nan 8.270 nan 0.000 0.422 521 S N 1.973 117.634 115.700 -0.066 0.000 2.651 521 S HA 0.528 4.959 4.470 -0.066 0.000 0.291 521 S C -2.423 171.971 174.600 -0.343 0.000 1.141 521 S CA -1.199 56.917 58.200 -0.139 0.000 1.027 521 S CB 0.997 64.168 63.200 -0.048 0.000 1.043 521 S HN 0.422 nan 8.310 nan 0.000 0.530 522 P HA 0.203 nan 4.420 nan 0.000 0.268 522 P C -0.628 176.471 177.300 -0.335 0.000 1.485 522 P CA -0.008 62.668 63.100 -0.707 0.000 1.102 522 P CB -0.264 30.748 31.700 -1.146 0.000 1.501 523 V N 0.000 119.814 119.914 -0.167 0.000 2.409 523 V HA 0.000 4.081 4.120 -0.066 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.074 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556