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 1up8_1_C DATA FIRST_RESID 1 DATA SEQUENCE GIPADNLQSR AKASFDTRVA AAELALNRGV VPSFANGEEL LYRNPDPDNT DATA SEQUENCE DPSFIASFTK GLPHDDNGAI IDPDDFLAFV RAINSGDEKE IADLTLGPAR DATA SEQUENCE DPETGLPIWR SDLANSLELE VRGWENSSAG LTFDLEGPDA QSIAMPPAPV DATA SEQUENCE LTSPELVAEI AELYLMALGR EIEFSEFDSP KNAEYIQFAI DQLNGLEWFN DATA SEQUENCE TPAKLGDPPA EIRRRRGEVT VGNLFRGILP GSEVGPYLSQ YIIVGSKQIG DATA SEQUENCE SATVGNKTLV SPNAADEFDG EIAYGSITIS QRVRIATPGR DFMTDLKVFL DATA SEQUENCE DVQDAADFRG FESYEPGARL IRTIRDLATW VHFDALYEAY LNACLILLAN DATA SEQUENCE GVPFDPNLPF QQEDKLDNQD VFVNFGSAHV LSLVTEVATR ALKAVRYQKF DATA SEQUENCE NIHRRLRPEA TGGLISVNKI AAQKGESIFP EVDLAVEELG DILEKAEISN DATA SEQUENCE RKQNIADGDP DPDPSFLLPM AFAEGSPFHP SYGSGHAVVA GACVTILKAF DATA SEQUENCE FDSGIEIDQV FEVDKDEDKL VKSSFKGTLT VAGELNKLAD NIAIGRNMAG DATA SEQUENCE VHYFSDQFES LLLGEQVAIG ILEEQSLTYG ENFFFNLPKF DGTTIQI 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.901 174.900 0.002 0.000 0.946 1 G CA 0.000 45.101 45.100 0.002 0.000 0.502 2 I N 1.929 122.500 120.570 0.002 0.000 2.396 2 I HA 0.243 4.412 4.170 -0.001 0.000 0.289 2 I C -1.549 174.570 176.117 0.003 0.000 1.056 2 I CA -1.340 59.962 61.300 0.002 0.000 1.365 2 I CB 1.069 39.071 38.000 0.003 0.000 1.407 2 I HN 0.193 nan 8.210 nan 0.000 0.509 3 P HA 0.242 nan 4.420 nan 0.000 0.265 3 P C -0.812 176.491 177.300 0.004 0.000 1.187 3 P CA -0.026 63.076 63.100 0.003 0.000 0.766 3 P CB 0.582 32.284 31.700 0.002 0.000 0.820 4 A N 1.672 124.495 122.820 0.004 0.000 2.594 4 A HA 0.486 4.805 4.320 -0.001 0.000 0.291 4 A C -1.000 176.587 177.584 0.006 0.000 1.105 4 A CA -0.808 51.233 52.037 0.005 0.000 0.694 4 A CB 1.256 20.259 19.000 0.006 0.000 1.291 4 A HN 0.514 nan 8.150 nan 0.000 0.410 5 D N 1.167 121.572 120.400 0.008 0.000 2.387 5 D HA 0.313 4.953 4.640 -0.001 0.000 0.251 5 D C -0.597 175.709 176.300 0.010 0.000 1.141 5 D CA -0.156 53.849 54.000 0.009 0.000 0.987 5 D CB 1.051 41.858 40.800 0.011 0.000 1.116 5 D HN 0.689 nan 8.370 nan 0.000 0.491 6 N N 0.033 118.740 118.700 0.011 0.000 2.262 6 N HA 0.313 5.052 4.740 -0.001 0.000 0.295 6 N C -1.103 174.415 175.510 0.013 0.000 1.161 6 N CA -0.572 52.485 53.050 0.011 0.000 0.767 6 N CB 1.862 40.355 38.487 0.010 0.000 1.499 6 N HN 0.266 nan 8.380 nan 0.000 0.476 7 L N 0.481 121.712 121.223 0.013 0.000 2.399 7 L HA 0.328 4.668 4.340 -0.001 0.000 0.266 7 L C 0.640 177.518 176.870 0.014 0.000 1.114 7 L CA -0.551 54.298 54.840 0.015 0.000 0.804 7 L CB 1.076 43.143 42.059 0.014 0.000 1.146 7 L HN 0.675 nan 8.230 nan 0.000 0.451 8 Q N 0.359 120.170 119.800 0.017 0.000 2.668 8 Q HA 0.523 4.863 4.340 -0.001 0.000 0.298 8 Q C -0.716 175.294 176.000 0.015 0.000 1.071 8 Q CA -1.028 54.785 55.803 0.016 0.000 0.789 8 Q CB 1.477 30.227 28.738 0.020 0.000 1.497 8 Q HN 0.605 nan 8.270 nan 0.000 0.460 9 S N -0.205 115.502 115.700 0.012 0.000 2.566 9 S HA 0.001 4.471 4.470 -0.001 0.000 0.280 9 S C 0.834 175.444 174.600 0.017 0.000 1.343 9 S CA 0.061 58.267 58.200 0.010 0.000 1.036 9 S CB 1.164 64.365 63.200 0.002 0.000 0.866 9 S HN 0.822 nan 8.310 nan 0.000 0.526 10 R N 2.330 122.839 120.500 0.015 0.000 2.091 10 R HA -0.090 4.249 4.340 -0.001 0.000 0.238 10 R C 2.350 178.666 176.300 0.027 0.000 1.136 10 R CA 2.164 58.275 56.100 0.019 0.000 0.959 10 R CB -1.413 28.895 30.300 0.014 0.000 0.856 10 R HN 0.862 nan 8.270 nan 0.000 0.437 11 A N 0.949 123.782 122.820 0.022 0.000 1.883 11 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 11 A C 1.946 179.566 177.584 0.059 0.000 1.186 11 A CA 1.718 53.773 52.037 0.030 0.000 0.624 11 A CB -0.467 18.537 19.000 0.006 0.000 0.822 11 A HN 0.258 nan 8.150 nan 0.000 0.444 12 K N -0.244 120.184 120.400 0.046 0.000 2.097 12 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 12 K C 2.247 178.926 176.600 0.132 0.000 1.050 12 K CA 1.226 57.563 56.287 0.083 0.000 0.938 12 K CB -0.648 31.877 32.500 0.041 0.000 0.718 12 K HN 0.463 nan 8.250 nan 0.000 0.442 13 A N 0.932 123.800 122.820 0.079 0.000 1.933 13 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 13 A C 2.408 180.027 177.584 0.058 0.000 1.175 13 A CA 2.098 54.172 52.037 0.062 0.000 0.628 13 A CB -0.542 18.481 19.000 0.038 0.000 0.814 13 A HN 0.309 nan 8.150 nan 0.000 0.444 14 S N -1.434 114.307 115.700 0.068 0.000 2.355 14 S HA -0.154 4.316 4.470 -0.001 0.000 0.222 14 S C 1.782 176.425 174.600 0.072 0.000 1.031 14 S CA 1.573 59.804 58.200 0.052 0.000 0.993 14 S CB -0.518 62.712 63.200 0.050 0.000 0.859 14 S HN 0.615 nan 8.310 nan 0.000 0.453 15 F N 2.381 122.320 119.950 -0.019 0.000 2.102 15 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 15 F C 1.942 177.730 175.800 -0.019 0.000 1.105 15 F CA 2.127 60.115 58.000 -0.020 0.000 1.239 15 F CB -0.594 38.395 39.000 -0.018 0.000 0.991 15 F HN 0.194 nan 8.300 nan 0.000 0.474 16 D N -0.344 120.094 120.400 0.062 0.000 2.178 16 D HA -0.134 4.505 4.640 -0.001 0.000 0.201 16 D C 2.290 178.522 176.300 -0.113 0.000 0.980 16 D CA 1.711 55.682 54.000 -0.048 0.000 0.842 16 D CB -0.526 40.315 40.800 0.069 0.000 0.948 16 D HN 0.320 nan 8.370 nan 0.000 0.472 17 T N 0.472 114.981 114.554 -0.076 0.000 2.777 17 T HA -0.083 4.267 4.350 -0.001 0.000 0.266 17 T C 2.017 176.646 174.700 -0.120 0.000 1.040 17 T CA 0.858 62.912 62.100 -0.076 0.000 1.141 17 T CB 0.067 68.905 68.868 -0.049 0.000 0.868 17 T HN 0.147 nan 8.240 nan 0.000 0.444 18 R N 0.339 120.739 120.500 -0.166 0.000 2.075 18 R HA 0.002 4.341 4.340 -0.001 0.000 0.232 18 R C 2.535 178.690 176.300 -0.241 0.000 1.126 18 R CA 0.849 56.838 56.100 -0.185 0.000 0.963 18 R CB -0.691 29.500 30.300 -0.182 0.000 0.858 18 R HN 0.207 nan 8.270 nan 0.000 0.435 19 V N 1.201 120.885 119.914 -0.384 0.000 2.287 19 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 19 V C 2.449 178.428 176.094 -0.191 0.000 1.053 19 V CA 2.040 64.131 62.300 -0.347 0.000 1.027 19 V CB -0.747 30.786 31.823 -0.483 0.000 0.646 19 V HN 0.428 nan 8.190 nan 0.000 0.447 20 A N -0.095 122.634 122.820 -0.152 0.000 1.940 20 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 20 A C 2.415 179.955 177.584 -0.073 0.000 1.176 20 A CA 2.175 54.158 52.037 -0.090 0.000 0.631 20 A CB -0.747 18.215 19.000 -0.064 0.000 0.814 20 A HN 0.588 nan 8.150 nan 0.000 0.446 21 A N -0.208 122.565 122.820 -0.078 0.000 1.898 21 A HA 0.190 4.510 4.320 -0.001 0.000 0.216 21 A C 2.494 180.041 177.584 -0.061 0.000 1.181 21 A CA 1.963 53.965 52.037 -0.057 0.000 0.620 21 A CB -0.981 17.987 19.000 -0.054 0.000 0.819 21 A HN 1.071 nan 8.150 nan 0.000 0.442 22 A N -0.351 122.418 122.820 -0.085 0.000 1.933 22 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 22 A C 1.961 179.505 177.584 -0.067 0.000 1.175 22 A CA 2.107 54.095 52.037 -0.081 0.000 0.628 22 A CB -0.412 18.523 19.000 -0.108 0.000 0.814 22 A HN 0.574 nan 8.150 nan 0.000 0.444 23 E N -0.134 120.024 120.200 -0.069 0.000 2.107 23 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 23 E C 1.834 178.411 176.600 -0.039 0.000 0.982 23 E CA 0.979 57.348 56.400 -0.053 0.000 0.809 23 E CB -0.374 29.294 29.700 -0.053 0.000 0.756 23 E HN 0.531 nan 8.360 nan 0.000 0.459 24 L N -0.130 121.071 121.223 -0.037 0.000 2.043 24 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 24 L C 2.260 179.116 176.870 -0.024 0.000 1.075 24 L CA 1.888 56.712 54.840 -0.027 0.000 0.752 24 L CB -0.405 41.641 42.059 -0.023 0.000 0.891 24 L HN 0.283 nan 8.230 nan 0.000 0.432 25 A N -0.656 122.147 122.820 -0.027 0.000 1.930 25 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 25 A C 2.132 179.703 177.584 -0.022 0.000 1.175 25 A CA 1.591 53.614 52.037 -0.023 0.000 0.627 25 A CB -0.801 18.184 19.000 -0.024 0.000 0.815 25 A HN 0.457 nan 8.150 nan 0.000 0.443 26 L N 0.591 121.797 121.223 -0.028 0.000 2.012 26 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 26 L C 1.487 178.345 176.870 -0.019 0.000 1.073 26 L CA 2.204 57.029 54.840 -0.025 0.000 0.748 26 L CB -0.777 41.263 42.059 -0.031 0.000 0.891 26 L HN 0.330 nan 8.230 nan 0.000 0.431 27 N N -0.253 118.435 118.700 -0.019 0.000 2.550 27 N HA -0.082 4.658 4.740 -0.001 0.000 0.186 27 N C 1.717 177.221 175.510 -0.010 0.000 1.110 27 N CA 0.534 53.576 53.050 -0.014 0.000 0.912 27 N CB -0.239 38.239 38.487 -0.015 0.000 0.968 27 N HN 0.433 nan 8.380 nan 0.000 0.448 28 R N 0.389 120.883 120.500 -0.010 0.000 2.189 28 R HA 0.031 4.370 4.340 -0.001 0.000 0.223 28 R C 1.103 177.402 176.300 -0.003 0.000 1.092 28 R CA 0.621 56.717 56.100 -0.006 0.000 0.989 28 R CB -0.246 30.050 30.300 -0.007 0.000 0.876 28 R HN 0.198 nan 8.270 nan 0.000 0.457 29 G N 0.310 109.107 108.800 -0.004 0.000 2.804 29 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.230 29 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.230 29 G C -0.309 174.590 174.900 -0.002 0.000 1.386 29 G CA -0.275 44.824 45.100 -0.001 0.000 0.875 29 G HN 0.374 nan 8.290 nan 0.000 0.557 30 V N -2.907 117.007 119.914 0.000 0.000 3.102 30 V HA 0.962 5.081 4.120 -0.001 0.000 0.312 30 V C 0.508 176.606 176.094 0.007 0.000 1.135 30 V CA -0.028 62.270 62.300 -0.003 0.000 1.022 30 V CB 1.512 33.326 31.823 -0.015 0.000 1.056 30 V HN 2.423 nan 8.190 nan 0.000 0.436 31 V N -0.832 119.085 119.914 0.006 0.000 2.914 31 V HA 0.876 4.995 4.120 -0.001 0.000 0.314 31 V C -2.578 173.497 176.094 -0.031 0.000 1.084 31 V CA -1.801 60.507 62.300 0.013 0.000 0.963 31 V CB 1.374 33.224 31.823 0.045 0.000 1.025 31 V HN 0.965 nan 8.190 nan 0.000 0.432 32 P HA 0.462 nan 4.420 nan 0.000 0.276 32 P C -0.538 176.527 177.300 -0.392 0.000 1.252 32 P CA -0.227 62.709 63.100 -0.273 0.000 0.802 32 P CB 1.139 32.572 31.700 -0.447 0.000 1.035 33 S N 0.130 115.573 115.700 -0.429 0.000 2.473 33 S HA 0.578 5.048 4.470 -0.001 0.000 0.307 33 S C -0.695 173.595 174.600 -0.517 0.000 1.094 33 S CA -0.279 57.717 58.200 -0.339 0.000 1.070 33 S CB 0.123 63.248 63.200 -0.125 0.000 1.019 33 S HN 0.229 nan 8.310 nan 0.000 0.480 34 F N 1.812 121.794 119.950 0.053 0.000 2.436 34 F HA 0.667 5.194 4.527 -0.001 0.000 0.340 34 F C 0.670 176.513 175.800 0.071 0.000 1.113 34 F CA -0.788 57.235 58.000 0.039 0.000 1.022 34 F CB 1.081 40.118 39.000 0.062 0.000 1.128 34 F HN 0.623 nan 8.300 nan 0.000 0.466 35 A N 1.824 124.733 122.820 0.148 0.000 2.257 35 A HA 0.326 4.646 4.320 -0.001 0.000 0.289 35 A C 0.866 178.543 177.584 0.155 0.000 1.095 35 A CA -0.642 51.484 52.037 0.149 0.000 0.836 35 A CB 0.351 19.366 19.000 0.026 0.000 1.111 35 A HN 0.822 nan 8.150 nan 0.000 0.497 36 N N -0.243 118.526 118.700 0.115 0.000 2.461 36 N HA 0.197 4.937 4.740 -0.001 0.000 0.188 36 N C 0.973 176.479 175.510 -0.007 0.000 1.134 36 N CA 1.245 54.316 53.050 0.035 0.000 0.878 36 N CB 0.154 38.628 38.487 -0.022 0.000 0.972 36 N HN 1.617 nan 8.380 nan 0.000 0.456 37 G N -0.006 108.794 108.800 -0.001 0.000 2.199 37 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 37 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 37 G C 0.796 175.616 174.900 -0.134 0.000 0.982 37 G CA 0.398 45.471 45.100 -0.045 0.000 0.632 37 G HN 0.452 nan 8.290 nan 0.000 0.529 38 E N 0.123 120.225 120.200 -0.162 0.000 2.153 38 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 38 E C 2.007 178.453 176.600 -0.258 0.000 0.988 38 E CA 1.045 57.227 56.400 -0.363 0.000 0.811 38 E CB -0.102 29.484 29.700 -0.189 0.000 0.746 38 E HN 0.711 nan 8.360 nan 0.000 0.466 39 E N 0.567 120.749 120.200 -0.030 0.000 2.097 39 E HA -0.200 4.150 4.350 -0.001 0.000 0.196 39 E C 1.697 178.329 176.600 0.053 0.000 1.000 39 E CA 0.999 57.473 56.400 0.124 0.000 0.804 39 E CB 0.109 29.964 29.700 0.258 0.000 0.740 39 E HN 0.223 nan 8.360 nan 0.000 0.454 40 L N 0.215 121.427 121.223 -0.019 0.000 2.616 40 L HA 0.050 4.390 4.340 -0.001 0.000 0.229 40 L C 1.949 178.736 176.870 -0.137 0.000 1.110 40 L CA -0.372 54.430 54.840 -0.063 0.000 0.884 40 L CB 0.134 42.197 42.059 0.007 0.000 1.115 40 L HN 0.219 nan 8.230 nan 0.000 0.481 41 L N 0.089 121.171 121.223 -0.235 0.000 1.973 41 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 41 L C 0.582 177.337 176.870 -0.191 0.000 1.073 41 L CA 1.553 56.216 54.840 -0.294 0.000 0.746 41 L CB -0.486 41.250 42.059 -0.539 0.000 0.891 41 L HN -0.002 nan 8.230 nan 0.000 0.433 42 Y N 1.694 121.955 120.300 -0.065 0.000 2.465 42 Y HA 0.296 4.846 4.550 -0.001 0.000 0.331 42 Y C 0.417 176.248 175.900 -0.115 0.000 1.102 42 Y CA -1.145 56.914 58.100 -0.067 0.000 1.358 42 Y CB 0.262 38.693 38.460 -0.049 0.000 1.213 42 Y HN 0.095 nan 8.280 nan 0.000 0.525 43 R N 1.854 122.404 120.500 0.084 0.000 2.720 43 R HA 0.178 4.518 4.340 -0.001 0.000 0.272 43 R C -0.396 175.908 176.300 0.006 0.000 0.991 43 R CA -1.423 54.672 56.100 -0.007 0.000 1.010 43 R CB 0.649 30.946 30.300 -0.006 0.000 1.141 43 R HN 0.635 nan 8.270 nan 0.000 0.494 44 N N 3.373 122.061 118.700 -0.021 0.000 2.447 44 N HA -0.009 4.731 4.740 -0.001 0.000 0.263 44 N C -1.457 174.057 175.510 0.008 0.000 1.226 44 N CA -0.864 52.188 53.050 0.004 0.000 0.906 44 N CB 0.778 39.265 38.487 -0.001 0.000 1.060 44 N HN 0.273 nan 8.380 nan 0.000 0.468 45 P HA 0.021 nan 4.420 nan 0.000 0.233 45 P C -0.520 176.776 177.300 -0.007 0.000 1.167 45 P CA 0.401 63.499 63.100 -0.004 0.000 0.770 45 P CB 0.239 31.925 31.700 -0.023 0.000 0.837 46 D N 2.420 122.819 120.400 -0.003 0.000 2.423 46 D HA 0.101 4.741 4.640 -0.001 0.000 0.238 46 D C -1.730 174.570 176.300 -0.001 0.000 1.142 46 D CA -1.131 52.868 54.000 -0.002 0.000 0.884 46 D CB -0.289 40.514 40.800 0.004 0.000 1.199 46 D HN 0.211 nan 8.370 nan 0.000 0.438 47 P HA -0.003 nan 4.420 nan 0.000 0.268 47 P C 0.105 177.407 177.300 0.004 0.000 1.208 47 P CA -0.128 62.973 63.100 0.000 0.000 0.777 47 P CB 0.365 32.065 31.700 -0.001 0.000 0.875 48 D N 0.562 120.965 120.400 0.004 0.000 2.956 48 D HA -0.249 4.391 4.640 -0.001 0.000 0.206 48 D C -0.790 175.516 176.300 0.009 0.000 1.269 48 D CA 0.769 54.773 54.000 0.007 0.000 0.694 48 D CB -1.376 39.428 40.800 0.007 0.000 0.910 48 D HN 0.430 nan 8.370 nan 0.000 0.389 49 N N 0.404 119.109 118.700 0.009 0.000 2.249 49 N HA 0.223 4.962 4.740 -0.001 0.000 0.296 49 N C -0.287 175.228 175.510 0.008 0.000 1.051 49 N CA -0.225 52.832 53.050 0.011 0.000 0.815 49 N CB 1.889 40.383 38.487 0.012 0.000 1.487 49 N HN 0.246 nan 8.380 nan 0.000 0.475 50 T N -1.110 113.451 114.554 0.012 0.000 3.308 50 T HA 0.347 4.696 4.350 -0.001 0.000 0.270 50 T C -0.732 173.969 174.700 0.003 0.000 0.992 50 T CA -0.578 61.526 62.100 0.007 0.000 0.931 50 T CB -0.188 68.688 68.868 0.014 0.000 1.142 50 T HN 0.285 nan 8.240 nan 0.000 0.525 51 D N 2.776 123.171 120.400 -0.009 0.000 2.342 51 D HA 0.432 5.071 4.640 -0.001 0.000 0.243 51 D C -2.750 173.473 176.300 -0.127 0.000 1.019 51 D CA -1.783 52.197 54.000 -0.034 0.000 0.864 51 D CB 2.335 43.141 40.800 0.010 0.000 1.315 51 D HN 0.134 nan 8.370 nan 0.000 0.468 52 P HA 0.039 nan 4.420 nan 0.000 0.272 52 P C 0.652 177.595 177.300 -0.595 0.000 1.230 52 P CA -0.152 62.625 63.100 -0.538 0.000 0.788 52 P CB 0.703 31.811 31.700 -0.986 0.000 0.949 53 S N 0.702 116.157 115.700 -0.409 0.000 2.492 53 S HA 0.086 4.556 4.470 -0.001 0.000 0.218 53 S C 0.759 175.297 174.600 -0.102 0.000 1.016 53 S CA -0.088 58.016 58.200 -0.161 0.000 0.916 53 S CB -1.009 62.197 63.200 0.010 0.000 0.791 53 S HN 0.416 nan 8.310 nan 0.000 0.513 54 F N 0.492 120.415 119.950 -0.045 0.000 3.034 54 F HA -0.240 4.286 4.527 -0.001 0.000 0.286 54 F C 1.012 176.717 175.800 -0.159 0.000 0.804 54 F CA 0.381 58.248 58.000 -0.222 0.000 1.161 54 F CB -2.360 36.291 39.000 -0.582 0.000 1.317 54 F HN 0.381 nan 8.300 nan 0.000 0.453 55 I N -2.053 118.560 120.570 0.071 0.000 2.676 55 I HA 0.064 4.233 4.170 -0.001 0.000 0.259 55 I C 2.016 178.131 176.117 -0.003 0.000 1.194 55 I CA 1.615 62.909 61.300 -0.011 0.000 1.473 55 I CB -0.357 37.567 38.000 -0.126 0.000 1.096 55 I HN 0.148 nan 8.210 nan 0.000 0.443 56 A N 0.186 123.081 122.820 0.125 0.000 2.307 56 A HA 0.388 4.708 4.320 -0.001 0.000 0.218 56 A C 1.013 178.678 177.584 0.135 0.000 1.228 56 A CA -0.127 51.994 52.037 0.141 0.000 0.857 56 A CB -0.318 18.856 19.000 0.291 0.000 0.897 56 A HN 0.387 nan 8.150 nan 0.000 0.495 57 S N -0.664 115.098 115.700 0.103 0.000 2.565 57 S HA 0.492 4.962 4.470 -0.001 0.000 0.290 57 S C -0.412 174.291 174.600 0.173 0.000 1.150 57 S CA -0.568 57.712 58.200 0.133 0.000 1.058 57 S CB 0.671 63.852 63.200 -0.032 0.000 1.032 57 S HN 0.406 nan 8.310 nan 0.000 0.510 58 F N 3.661 123.702 119.950 0.152 0.000 2.571 58 F HA 0.101 4.628 4.527 -0.001 0.000 0.390 58 F C 1.335 177.268 175.800 0.220 0.000 1.043 58 F CA 0.504 58.599 58.000 0.158 0.000 1.164 58 F CB 0.237 39.328 39.000 0.153 0.000 1.049 58 F HN 0.620 nan 8.300 nan 0.000 0.552 59 T N 2.136 116.484 114.554 -0.343 0.000 3.209 59 T HA 0.157 4.506 4.350 -0.001 0.000 0.295 59 T C 0.305 174.796 174.700 -0.349 0.000 0.977 59 T CA -0.690 61.263 62.100 -0.245 0.000 0.922 59 T CB -0.303 68.534 68.868 -0.050 0.000 1.152 59 T HN 0.564 nan 8.240 nan 0.000 0.527 60 K N 1.428 121.292 120.400 -0.894 0.000 2.473 60 K HA 0.297 4.617 4.320 -0.001 0.000 0.277 60 K C 1.451 177.813 176.600 -0.397 0.000 1.052 60 K CA 1.657 57.512 56.287 -0.720 0.000 1.114 60 K CB -0.454 31.380 32.500 -1.110 0.000 0.869 60 K HN 0.551 nan 8.250 nan 0.000 0.481 61 G N 3.157 111.970 108.800 0.021 0.000 2.284 61 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 61 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 61 G C -0.005 175.027 174.900 0.221 0.000 1.009 61 G CA -0.220 45.014 45.100 0.224 0.000 0.625 61 G HN 0.503 nan 8.290 nan 0.000 0.501 62 L N 2.865 124.183 121.223 0.158 0.000 2.395 62 L HA 0.435 4.775 4.340 -0.001 0.000 0.269 62 L C -1.808 174.982 176.870 -0.133 0.000 1.133 62 L CA -2.074 52.777 54.840 0.019 0.000 0.812 62 L CB 0.646 42.648 42.059 -0.094 0.000 1.125 62 L HN -0.028 nan 8.230 nan 0.000 0.452 63 P HA 0.082 nan 4.420 nan 0.000 0.267 63 P C -1.175 176.037 177.300 -0.147 0.000 1.209 63 P CA 0.197 63.281 63.100 -0.027 0.000 0.763 63 P CB 0.284 31.987 31.700 0.005 0.000 0.816 64 H N 0.261 119.369 119.070 0.063 0.000 2.616 64 H HA 0.340 4.896 4.556 -0.001 0.000 0.353 64 H C 0.543 175.923 175.328 0.087 0.000 1.170 64 H CA -0.377 55.714 56.048 0.072 0.000 1.212 64 H CB 0.711 30.510 29.762 0.062 0.000 1.653 64 H HN 0.391 nan 8.280 nan 0.000 0.537 65 D N -0.225 120.309 120.400 0.222 0.000 2.447 65 D HA -0.018 4.622 4.640 -0.001 0.000 0.265 65 D C 0.353 176.760 176.300 0.179 0.000 1.250 65 D CA -0.436 53.663 54.000 0.165 0.000 1.046 65 D CB 0.454 41.333 40.800 0.132 0.000 1.095 65 D HN 0.395 nan 8.370 nan 0.000 0.555 66 D N -1.415 119.068 120.400 0.137 0.000 2.309 66 D HA -0.093 4.547 4.640 -0.001 0.000 0.212 66 D C 0.799 177.191 176.300 0.154 0.000 0.968 66 D CA 0.881 54.959 54.000 0.131 0.000 0.882 66 D CB -0.373 40.481 40.800 0.090 0.000 0.918 66 D HN 0.466 nan 8.370 nan 0.000 0.503 67 N N -0.946 117.862 118.700 0.180 0.000 2.299 67 N HA 0.193 4.933 4.740 -0.001 0.000 0.187 67 N C 1.060 176.811 175.510 0.401 0.000 1.099 67 N CA 0.455 53.657 53.050 0.252 0.000 0.867 67 N CB 1.023 39.604 38.487 0.157 0.000 0.974 67 N HN 0.100 nan 8.380 nan 0.000 0.477 68 G N -0.054 108.940 108.800 0.325 0.000 2.141 68 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.231 68 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.231 68 G C -0.016 175.077 174.900 0.323 0.000 0.984 68 G CA 0.030 45.298 45.100 0.280 0.000 0.660 68 G HN 0.499 nan 8.290 nan 0.000 0.525 69 A N 0.171 123.208 122.820 0.363 0.000 2.312 69 A HA 0.830 5.150 4.320 -0.001 0.000 0.328 69 A C 0.756 178.467 177.584 0.213 0.000 1.158 69 A CA -0.293 51.921 52.037 0.295 0.000 0.821 69 A CB 0.537 19.725 19.000 0.314 0.000 1.170 69 A HN 1.652 nan 8.150 nan 0.000 0.490 70 I N 0.157 120.782 120.570 0.091 0.000 2.754 70 I HA 0.175 4.345 4.170 -0.001 0.000 0.285 70 I C 0.648 176.788 176.117 0.037 0.000 1.166 70 I CA -0.187 61.072 61.300 -0.068 0.000 1.417 70 I CB 0.363 38.290 38.000 -0.121 0.000 1.382 70 I HN 0.670 nan 8.210 nan 0.000 0.588 71 I N 1.313 121.892 120.570 0.016 0.000 2.286 71 I HA -0.064 4.105 4.170 -0.001 0.000 0.245 71 I C 0.630 176.785 176.117 0.064 0.000 1.104 71 I CA 1.367 62.697 61.300 0.050 0.000 1.397 71 I CB -0.180 37.843 38.000 0.039 0.000 1.072 71 I HN 0.732 nan 8.210 nan 0.000 0.417 72 D N 0.602 121.041 120.400 0.066 0.000 2.471 72 D HA 0.175 4.814 4.640 -0.001 0.000 0.245 72 D C -1.841 174.543 176.300 0.140 0.000 1.116 72 D CA -2.486 51.568 54.000 0.090 0.000 0.853 72 D CB 1.822 42.663 40.800 0.069 0.000 1.123 72 D HN -0.128 nan 8.370 nan 0.000 0.540 73 P HA -0.107 nan 4.420 nan 0.000 0.219 73 P C 0.641 178.105 177.300 0.274 0.000 1.146 73 P CA 0.652 63.963 63.100 0.352 0.000 0.808 73 P CB 0.619 32.550 31.700 0.385 0.000 0.779 74 D N 0.144 120.649 120.400 0.176 0.000 2.182 74 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 74 D C 1.501 177.854 176.300 0.089 0.000 0.986 74 D CA 1.025 55.097 54.000 0.120 0.000 0.847 74 D CB -0.551 40.302 40.800 0.089 0.000 0.942 74 D HN 0.169 nan 8.370 nan 0.000 0.467 75 D N -0.515 119.943 120.400 0.096 0.000 2.144 75 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 75 D C 1.780 178.129 176.300 0.082 0.000 0.984 75 D CA 0.421 54.469 54.000 0.080 0.000 0.834 75 D CB -0.404 40.437 40.800 0.069 0.000 0.955 75 D HN 0.242 nan 8.370 nan 0.000 0.465 76 F N 0.957 120.851 119.950 -0.092 0.000 2.206 76 F HA 0.004 4.530 4.527 -0.001 0.000 0.298 76 F C 2.029 177.733 175.800 -0.161 0.000 1.090 76 F CA 0.772 58.669 58.000 -0.173 0.000 1.323 76 F CB -0.155 38.546 39.000 -0.498 0.000 1.028 76 F HN -0.150 nan 8.300 nan 0.000 0.492 77 L N -0.066 121.061 121.223 -0.161 0.000 2.093 77 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 77 L C 2.731 179.500 176.870 -0.169 0.000 1.085 77 L CA 1.123 55.848 54.840 -0.191 0.000 0.755 77 L CB -1.057 41.005 42.059 0.005 0.000 0.904 77 L HN 0.208 nan 8.230 nan 0.000 0.435 78 A N -0.411 122.361 122.820 -0.080 0.000 1.969 78 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 78 A C 2.147 179.678 177.584 -0.088 0.000 1.169 78 A CA 1.183 53.184 52.037 -0.059 0.000 0.635 78 A CB -0.699 18.302 19.000 0.001 0.000 0.810 78 A HN 0.415 nan 8.150 nan 0.000 0.445 79 F N 0.843 120.606 119.950 -0.310 0.000 2.102 79 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 79 F C 2.154 177.690 175.800 -0.439 0.000 1.105 79 F CA 1.836 59.587 58.000 -0.416 0.000 1.239 79 F CB -0.570 38.135 39.000 -0.491 0.000 0.991 79 F HN 0.014 nan 8.300 nan 0.000 0.474 80 V N 1.345 120.857 119.914 -0.670 0.000 2.287 80 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 80 V C 2.622 178.471 176.094 -0.408 0.000 1.053 80 V CA 2.360 64.267 62.300 -0.655 0.000 1.027 80 V CB -0.740 30.716 31.823 -0.612 0.000 0.646 80 V HN 0.302 nan 8.190 nan 0.000 0.447 81 R N -0.089 120.241 120.500 -0.283 0.000 2.083 81 R HA -0.167 4.172 4.340 -0.001 0.000 0.237 81 R C 2.452 178.639 176.300 -0.188 0.000 1.137 81 R CA 1.592 57.580 56.100 -0.186 0.000 0.951 81 R CB -0.674 29.555 30.300 -0.118 0.000 0.851 81 R HN 0.546 nan 8.270 nan 0.000 0.434 82 A N 1.102 123.800 122.820 -0.203 0.000 1.940 82 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 82 A C 2.146 179.579 177.584 -0.252 0.000 1.176 82 A CA 1.279 53.208 52.037 -0.180 0.000 0.631 82 A CB -0.497 18.425 19.000 -0.129 0.000 0.814 82 A HN 0.214 nan 8.150 nan 0.000 0.446 83 I N 0.042 120.378 120.570 -0.390 0.000 2.226 83 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 83 I C 1.826 177.788 176.117 -0.258 0.000 1.100 83 I CA 1.188 62.242 61.300 -0.409 0.000 1.374 83 I CB -0.299 37.386 38.000 -0.527 0.000 1.057 83 I HN 0.299 nan 8.210 nan 0.000 0.413 84 N N -0.316 118.255 118.700 -0.216 0.000 2.457 84 N HA -0.094 4.646 4.740 -0.001 0.000 0.180 84 N C 1.914 177.358 175.510 -0.109 0.000 1.050 84 N CA 1.243 54.209 53.050 -0.140 0.000 0.906 84 N CB 0.080 38.492 38.487 -0.125 0.000 0.968 84 N HN 0.328 nan 8.380 nan 0.000 0.445 85 S N -0.789 114.841 115.700 -0.117 0.000 2.452 85 S HA 0.178 4.647 4.470 -0.001 0.000 0.225 85 S C 1.535 176.085 174.600 -0.084 0.000 1.057 85 S CA 1.363 59.511 58.200 -0.085 0.000 0.949 85 S CB 0.009 63.165 63.200 -0.073 0.000 0.836 85 S HN 0.348 nan 8.310 nan 0.000 0.518 86 G N 1.100 109.838 108.800 -0.103 0.000 2.205 86 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.261 86 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.261 86 G C -0.119 174.747 174.900 -0.058 0.000 0.980 86 G CA 0.472 45.517 45.100 -0.092 0.000 0.632 86 G HN 0.797 nan 8.290 nan 0.000 0.533 87 D N 0.470 120.843 120.400 -0.045 0.000 2.450 87 D HA 0.444 5.084 4.640 -0.001 0.000 0.247 87 D C 1.516 177.809 176.300 -0.011 0.000 1.162 87 D CA 0.371 54.357 54.000 -0.023 0.000 0.879 87 D CB 0.489 41.277 40.800 -0.019 0.000 1.163 87 D HN 0.384 nan 8.370 nan 0.000 0.472 88 E N 2.546 122.745 120.200 -0.001 0.000 2.077 88 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 88 E C 1.584 178.198 176.600 0.024 0.000 0.989 88 E CA 1.322 57.730 56.400 0.014 0.000 0.800 88 E CB 0.062 29.771 29.700 0.015 0.000 0.746 88 E HN 0.512 nan 8.360 nan 0.000 0.452 89 K N 0.576 120.987 120.400 0.017 0.000 2.097 89 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 89 K C 2.200 178.816 176.600 0.027 0.000 1.049 89 K CA 1.307 57.607 56.287 0.022 0.000 0.933 89 K CB -0.050 32.459 32.500 0.015 0.000 0.717 89 K HN 0.135 nan 8.250 nan 0.000 0.442 90 E N 1.063 121.273 120.200 0.017 0.000 2.106 90 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 90 E C 1.919 178.541 176.600 0.037 0.000 0.984 90 E CA 0.794 57.204 56.400 0.016 0.000 0.806 90 E CB 0.042 29.738 29.700 -0.007 0.000 0.750 90 E HN 0.238 nan 8.360 nan 0.000 0.458 91 I N 0.795 121.393 120.570 0.046 0.000 2.252 91 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 91 I C 2.436 178.642 176.117 0.149 0.000 1.102 91 I CA 1.030 62.390 61.300 0.100 0.000 1.385 91 I CB -0.192 37.867 38.000 0.097 0.000 1.064 91 I HN 0.131 nan 8.210 nan 0.000 0.414 92 A N -0.126 122.756 122.820 0.103 0.000 2.067 92 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 92 A C 1.792 179.432 177.584 0.092 0.000 1.158 92 A CA 1.632 53.726 52.037 0.096 0.000 0.661 92 A CB -0.421 18.616 19.000 0.061 0.000 0.801 92 A HN 0.312 nan 8.150 nan 0.000 0.452 93 D N -0.639 119.811 120.400 0.082 0.000 2.347 93 D HA 0.084 4.724 4.640 -0.001 0.000 0.215 93 D C 0.407 176.764 176.300 0.094 0.000 0.976 93 D CA 0.087 54.130 54.000 0.071 0.000 0.884 93 D CB -0.099 40.731 40.800 0.049 0.000 0.915 93 D HN 0.174 nan 8.370 nan 0.000 0.526 94 L N 0.593 121.902 121.223 0.143 0.000 2.476 94 L HA 0.096 4.436 4.340 -0.001 0.000 0.264 94 L C 0.774 177.759 176.870 0.192 0.000 1.224 94 L CA 0.487 55.439 54.840 0.188 0.000 0.821 94 L CB 0.301 42.544 42.059 0.307 0.000 1.101 94 L HN -0.211 nan 8.230 nan 0.000 0.488 95 T N 3.394 118.062 114.554 0.191 0.000 2.743 95 T HA 0.486 4.836 4.350 -0.001 0.000 0.293 95 T C -0.496 174.335 174.700 0.218 0.000 0.945 95 T CA -0.203 61.989 62.100 0.153 0.000 1.030 95 T CB 0.429 69.358 68.868 0.102 0.000 0.912 95 T HN 0.315 nan 8.240 nan 0.000 0.483 96 L N 3.715 125.014 121.223 0.127 0.000 2.385 96 L HA 0.780 5.120 4.340 -0.001 0.000 0.273 96 L C 0.239 177.114 176.870 0.008 0.000 0.990 96 L CA 0.679 55.545 54.840 0.043 0.000 0.821 96 L CB 0.915 42.914 42.059 -0.100 0.000 1.279 96 L HN 0.911 nan 8.230 nan 0.000 0.412 97 G N 4.366 113.188 108.800 0.037 0.000 2.757 97 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.638 97 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.638 97 G C -3.062 171.824 174.900 -0.024 0.000 1.344 97 G CA -0.436 44.684 45.100 0.033 0.000 0.855 97 G HN 0.674 nan 8.290 nan 0.000 0.537 98 P HA 0.567 nan 4.420 nan 0.000 0.282 98 P C 0.345 177.543 177.300 -0.171 0.000 1.287 98 P CA 0.397 63.416 63.100 -0.135 0.000 0.792 98 P CB 0.614 32.178 31.700 -0.226 0.000 1.163 99 A N 1.291 124.038 122.820 -0.121 0.000 2.561 99 A HA 0.077 4.396 4.320 -0.001 0.000 0.234 99 A C 0.529 178.017 177.584 -0.160 0.000 1.055 99 A CA 0.271 52.244 52.037 -0.106 0.000 0.756 99 A CB -0.554 18.406 19.000 -0.066 0.000 0.986 99 A HN 0.435 nan 8.150 nan 0.000 0.505 100 R N 0.795 121.218 120.500 -0.128 0.000 2.540 100 R HA 0.288 4.628 4.340 -0.001 0.000 0.287 100 R C -0.888 175.353 176.300 -0.099 0.000 0.980 100 R CA -0.707 55.311 56.100 -0.138 0.000 0.966 100 R CB 1.082 31.315 30.300 -0.113 0.000 1.106 100 R HN 0.849 nan 8.270 nan 0.000 0.480 101 D N 2.321 122.662 120.400 -0.098 0.000 2.371 101 D HA 0.068 4.708 4.640 -0.001 0.000 0.256 101 D C -1.615 174.655 176.300 -0.050 0.000 1.193 101 D CA -1.637 52.323 54.000 -0.067 0.000 0.881 101 D CB 1.279 42.041 40.800 -0.063 0.000 1.143 101 D HN 0.149 nan 8.370 nan 0.000 0.473 102 P HA -0.133 nan 4.420 nan 0.000 0.216 102 P C 0.988 178.273 177.300 -0.024 0.000 1.153 102 P CA 0.855 63.938 63.100 -0.028 0.000 0.848 102 P CB 0.234 31.921 31.700 -0.022 0.000 0.787 103 E N -0.770 119.417 120.200 -0.023 0.000 2.028 103 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 103 E C 1.678 178.266 176.600 -0.020 0.000 0.988 103 E CA 2.019 58.408 56.400 -0.018 0.000 0.799 103 E CB -0.192 29.498 29.700 -0.016 0.000 0.755 103 E HN 0.279 nan 8.360 nan 0.000 0.447 104 T N -3.882 110.656 114.554 -0.025 0.000 3.037 104 T HA 0.230 4.580 4.350 -0.001 0.000 0.251 104 T C 1.445 176.126 174.700 -0.032 0.000 1.079 104 T CA 0.620 62.705 62.100 -0.026 0.000 1.067 104 T CB 0.674 69.527 68.868 -0.026 0.000 0.948 104 T HN 0.328 nan 8.240 nan 0.000 0.496 105 G N 1.382 110.157 108.800 -0.041 0.000 2.168 105 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.263 105 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.263 105 G C -0.053 174.806 174.900 -0.069 0.000 0.977 105 G CA 0.301 45.371 45.100 -0.049 0.000 0.659 105 G HN 0.638 nan 8.290 nan 0.000 0.533 106 L N 1.780 122.958 121.223 -0.076 0.000 2.397 106 L HA 0.416 4.755 4.340 -0.001 0.000 0.271 106 L C -1.555 175.205 176.870 -0.183 0.000 1.148 106 L CA -2.012 52.769 54.840 -0.099 0.000 0.825 106 L CB 0.879 42.894 42.059 -0.073 0.000 1.117 106 L HN -0.062 nan 8.230 nan 0.000 0.456 107 P HA 0.207 nan 4.420 nan 0.000 0.280 107 P C -0.756 176.153 177.300 -0.652 0.000 1.244 107 P CA -0.017 62.751 63.100 -0.553 0.000 0.784 107 P CB 0.652 31.841 31.700 -0.852 0.000 0.913 108 I N 3.585 123.829 120.570 -0.544 0.000 2.307 108 I HA 0.262 4.432 4.170 -0.001 0.000 0.289 108 I C 0.201 176.097 176.117 -0.367 0.000 1.021 108 I CA -0.565 60.521 61.300 -0.357 0.000 1.224 108 I CB 0.389 38.290 38.000 -0.165 0.000 1.376 108 I HN 0.278 nan 8.210 nan 0.000 0.470 109 W N 5.343 126.646 121.300 0.005 0.000 2.141 109 W HA 0.379 5.038 4.660 -0.000 0.000 0.354 109 W C 1.557 178.094 176.519 0.030 0.000 1.297 109 W CA -0.674 56.681 57.345 0.018 0.000 1.380 109 W CB 0.464 29.932 29.460 0.013 0.000 1.168 109 W HN 0.391 nan 8.180 nan 0.000 0.639 110 R N 0.321 121.020 120.500 0.331 0.000 2.075 110 R HA -0.028 4.312 4.340 -0.001 0.000 0.226 110 R C 0.953 177.358 176.300 0.175 0.000 1.114 110 R CA 0.904 57.125 56.100 0.201 0.000 0.972 110 R CB -0.430 29.975 30.300 0.175 0.000 0.869 110 R HN 0.449 nan 8.270 nan 0.000 0.437 111 S N 0.769 116.583 115.700 0.190 0.000 2.537 111 S HA 0.095 4.565 4.470 -0.001 0.000 0.275 111 S C 0.272 174.950 174.600 0.130 0.000 1.272 111 S CA -0.921 57.360 58.200 0.134 0.000 1.050 111 S CB 1.631 64.899 63.200 0.113 0.000 0.961 111 S HN -0.011 nan 8.310 nan 0.000 0.496 112 D N 1.272 121.732 120.400 0.099 0.000 2.133 112 D HA -0.134 4.505 4.640 -0.001 0.000 0.195 112 D C 1.695 178.043 176.300 0.081 0.000 0.997 112 D CA 1.154 55.206 54.000 0.086 0.000 0.840 112 D CB -0.339 40.503 40.800 0.069 0.000 0.947 112 D HN 0.529 nan 8.370 nan 0.000 0.452 113 L N 0.897 122.171 121.223 0.085 0.000 1.994 113 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 113 L C 2.160 179.033 176.870 0.005 0.000 1.071 113 L CA 2.178 57.066 54.840 0.079 0.000 0.745 113 L CB -0.908 41.229 42.059 0.131 0.000 0.892 113 L HN -0.001 nan 8.230 nan 0.000 0.431 114 A N -0.547 122.263 122.820 -0.017 0.000 1.933 114 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 114 A C 2.116 179.655 177.584 -0.075 0.000 1.175 114 A CA 1.868 53.744 52.037 -0.268 0.000 0.628 114 A CB -0.809 17.883 19.000 -0.513 0.000 0.814 114 A HN 0.648 nan 8.150 nan 0.000 0.444 115 N N 0.373 119.151 118.700 0.131 0.000 2.142 115 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 115 N C 2.095 177.657 175.510 0.087 0.000 1.023 115 N CA 1.822 54.988 53.050 0.194 0.000 0.852 115 N CB -0.391 38.199 38.487 0.172 0.000 0.998 115 N HN 0.646 nan 8.380 nan 0.000 0.424 116 S N 0.482 116.212 115.700 0.050 0.000 2.453 116 S HA 0.050 4.519 4.470 -0.001 0.000 0.231 116 S C 1.952 176.557 174.600 0.008 0.000 1.005 116 S CA 0.369 58.590 58.200 0.034 0.000 0.949 116 S CB -0.398 62.828 63.200 0.042 0.000 0.774 116 S HN 0.219 nan 8.310 nan 0.000 0.510 117 L N 0.823 122.022 121.223 -0.041 0.000 2.492 117 L HA 0.190 4.529 4.340 -0.001 0.000 0.223 117 L C 0.474 177.296 176.870 -0.079 0.000 1.132 117 L CA 0.417 55.203 54.840 -0.090 0.000 0.850 117 L CB -0.735 41.181 42.059 -0.240 0.000 0.966 117 L HN 0.334 nan 8.230 nan 0.000 0.454 118 E N 0.588 120.773 120.200 -0.025 0.000 2.389 118 E HA -0.216 4.134 4.350 -0.001 0.000 0.243 118 E C -0.278 176.328 176.600 0.009 0.000 1.154 118 E CA -0.030 56.385 56.400 0.024 0.000 0.723 118 E CB -1.770 27.939 29.700 0.014 0.000 1.261 118 E HN 0.436 nan 8.360 nan 0.000 0.390 119 L N 0.766 121.960 121.223 -0.048 0.000 2.490 119 L HA 0.088 4.428 4.340 -0.001 0.000 0.274 119 L C 1.301 178.273 176.870 0.170 0.000 1.201 119 L CA 0.654 55.420 54.840 -0.122 0.000 0.869 119 L CB 0.214 41.940 42.059 -0.556 0.000 1.123 119 L HN 0.138 nan 8.230 nan 0.000 0.484 120 E N 1.401 121.636 120.200 0.058 0.000 2.446 120 E HA 0.435 4.785 4.350 -0.001 0.000 0.251 120 E C -0.764 175.902 176.600 0.111 0.000 1.087 120 E CA -0.578 55.895 56.400 0.122 0.000 0.937 120 E CB 2.107 31.820 29.700 0.022 0.000 1.254 120 E HN 0.334 nan 8.360 nan 0.000 0.479 121 V N -0.801 119.161 119.914 0.080 0.000 2.743 121 V HA 0.616 4.736 4.120 -0.001 0.000 0.301 121 V C 0.121 176.108 176.094 -0.178 0.000 1.057 121 V CA -0.722 61.577 62.300 -0.003 0.000 1.006 121 V CB 1.125 32.941 31.823 -0.012 0.000 1.024 121 V HN 0.664 nan 8.190 nan 0.000 0.473 122 R N 2.365 122.645 120.500 -0.366 0.000 2.787 122 R HA 0.891 5.231 4.340 -0.001 0.000 0.271 122 R C 0.002 175.794 176.300 -0.846 0.000 0.993 122 R CA -0.380 55.398 56.100 -0.536 0.000 0.993 122 R CB 1.798 31.745 30.300 -0.589 0.000 1.155 122 R HN 0.984 nan 8.270 nan 0.000 0.486 123 G N 0.062 108.488 108.800 -0.623 0.000 2.568 123 G HA2 0.391 4.350 3.960 -0.001 0.000 0.313 123 G HA3 0.391 4.350 3.960 -0.001 0.000 0.313 123 G C -0.960 173.866 174.900 -0.124 0.000 1.227 123 G CA -1.071 43.736 45.100 -0.488 0.000 0.979 123 G HN 0.430 nan 8.290 nan 0.000 0.486 124 W N 0.526 122.102 121.300 0.460 0.000 2.223 124 W HA 0.195 4.855 4.660 -0.001 0.000 0.334 124 W C 0.186 176.933 176.519 0.380 0.000 1.334 124 W CA -0.036 57.678 57.345 0.615 0.000 1.246 124 W CB 0.258 30.083 29.460 0.608 0.000 1.184 124 W HN 0.463 nan 8.180 nan 0.000 0.563 125 E N 2.323 122.920 120.200 0.662 0.000 1.963 125 E HA 0.048 4.398 4.350 -0.001 0.000 0.274 125 E C -0.370 176.398 176.600 0.280 0.000 1.061 125 E CA -0.217 56.435 56.400 0.420 0.000 0.847 125 E CB -0.236 29.748 29.700 0.473 0.000 1.083 125 E HN 0.383 nan 8.360 nan 0.000 0.402 126 N N 1.839 120.614 118.700 0.126 0.000 2.641 126 N HA -0.210 4.530 4.740 -0.001 0.000 0.267 126 N C 0.416 175.767 175.510 -0.265 0.000 1.087 126 N CA 0.534 53.573 53.050 -0.019 0.000 0.731 126 N CB -0.651 37.841 38.487 0.008 0.000 0.886 126 N HN 0.471 nan 8.380 nan 0.000 0.547 127 S N -2.504 112.888 115.700 -0.513 0.000 2.515 127 S HA -0.013 4.457 4.470 -0.001 0.000 0.231 127 S C 1.203 175.267 174.600 -0.893 0.000 0.987 127 S CA 0.588 57.932 58.200 -1.427 0.000 0.936 127 S CB 0.485 63.069 63.200 -1.027 0.000 0.766 127 S HN 0.393 nan 8.310 nan 0.000 0.528 128 S N 0.541 115.989 115.700 -0.420 0.000 2.663 128 S HA 0.567 5.037 4.470 -0.001 0.000 0.243 128 S C 1.551 176.062 174.600 -0.149 0.000 1.009 128 S CA 0.078 58.130 58.200 -0.247 0.000 0.988 128 S CB 0.428 63.513 63.200 -0.191 0.000 0.896 128 S HN 0.613 nan 8.310 nan 0.000 0.502 129 A N 1.278 124.025 122.820 -0.122 0.000 2.070 129 A HA 0.062 4.382 4.320 -0.001 0.000 0.220 129 A C 2.133 179.689 177.584 -0.047 0.000 1.159 129 A CA 1.524 53.522 52.037 -0.064 0.000 0.656 129 A CB -0.931 18.052 19.000 -0.028 0.000 0.800 129 A HN 0.531 nan 8.150 nan 0.000 0.453 130 G N -0.314 108.486 108.800 -0.000 0.000 2.498 130 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.219 130 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.219 130 G C 1.285 176.141 174.900 -0.073 0.000 1.119 130 G CA 0.878 46.018 45.100 0.067 0.000 0.766 130 G HN 0.500 nan 8.290 nan 0.000 0.552 131 L N 0.720 121.859 121.223 -0.141 0.000 2.558 131 L HA 0.114 4.454 4.340 -0.001 0.000 0.225 131 L C 0.753 177.354 176.870 -0.448 0.000 1.128 131 L CA 0.025 54.698 54.840 -0.279 0.000 0.868 131 L CB -0.298 41.637 42.059 -0.206 0.000 1.006 131 L HN -0.032 nan 8.230 nan 0.000 0.454 132 T N 0.725 115.094 114.554 -0.309 0.000 2.851 132 T HA 0.271 4.621 4.350 -0.001 0.000 0.298 132 T C 0.068 174.582 174.700 -0.310 0.000 0.977 132 T CA -0.164 61.777 62.100 -0.265 0.000 1.126 132 T CB 0.476 69.277 68.868 -0.112 0.000 0.916 132 T HN -0.139 nan 8.240 nan 0.000 0.529 133 F N 1.450 121.371 119.950 -0.047 0.000 2.284 133 F HA 0.423 4.950 4.527 -0.001 0.000 0.297 133 F C 1.268 177.043 175.800 -0.040 0.000 1.215 133 F CA -0.325 57.644 58.000 -0.052 0.000 1.120 133 F CB 0.677 39.649 39.000 -0.046 0.000 1.426 133 F HN 0.427 nan 8.300 nan 0.000 0.514 134 D N -0.322 120.192 120.400 0.190 0.000 2.736 134 D HA 0.219 4.859 4.640 -0.001 0.000 0.223 134 D C 0.149 176.481 176.300 0.054 0.000 1.231 134 D CA -0.372 53.680 54.000 0.087 0.000 0.818 134 D CB 1.976 42.803 40.800 0.045 0.000 1.587 134 D HN 0.391 nan 8.370 nan 0.000 0.463 135 L N 1.270 122.510 121.223 0.028 0.000 2.465 135 L HA 0.005 4.345 4.340 -0.001 0.000 0.224 135 L C 0.921 177.787 176.870 -0.007 0.000 1.145 135 L CA 0.909 55.750 54.840 0.002 0.000 0.834 135 L CB -0.214 41.844 42.059 -0.002 0.000 0.944 135 L HN 0.428 nan 8.230 nan 0.000 0.451 136 E N -1.125 119.077 120.200 0.003 0.000 2.390 136 E HA 0.594 4.943 4.350 -0.001 0.000 0.277 136 E C -0.233 176.367 176.600 0.001 0.000 0.939 136 E CA -0.431 55.967 56.400 -0.002 0.000 0.769 136 E CB 2.126 31.826 29.700 -0.001 0.000 1.251 136 E HN -0.031 nan 8.360 nan 0.000 0.450 137 G N 1.276 110.074 108.800 -0.004 0.000 2.757 137 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.638 137 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.638 137 G C -2.750 172.145 174.900 -0.007 0.000 1.344 137 G CA -0.594 44.502 45.100 -0.007 0.000 0.855 137 G HN 0.570 nan 8.290 nan 0.000 0.537 138 P HA 0.318 nan 4.420 nan 0.000 0.267 138 P C 0.048 177.338 177.300 -0.016 0.000 1.205 138 P CA 0.159 63.250 63.100 -0.015 0.000 0.765 138 P CB 0.653 32.342 31.700 -0.018 0.000 0.828 139 D N 2.353 122.745 120.400 -0.014 0.000 2.449 139 D HA 0.075 4.715 4.640 -0.001 0.000 0.236 139 D C 1.335 177.586 176.300 -0.083 0.000 1.149 139 D CA 0.180 54.169 54.000 -0.018 0.000 0.878 139 D CB 0.675 41.480 40.800 0.009 0.000 1.198 139 D HN 0.319 nan 8.370 nan 0.000 0.446 140 A N 3.043 125.787 122.820 -0.127 0.000 2.032 140 A HA -0.244 4.076 4.320 -0.001 0.000 0.221 140 A C 1.755 179.152 177.584 -0.312 0.000 1.165 140 A CA 1.607 53.540 52.037 -0.172 0.000 0.645 140 A CB -0.393 18.496 19.000 -0.184 0.000 0.807 140 A HN 0.780 nan 8.150 nan 0.000 0.453 141 Q N -0.621 118.909 119.800 -0.450 0.000 2.282 141 Q HA 0.043 4.383 4.340 -0.001 0.000 0.206 141 Q C 1.799 177.643 176.000 -0.260 0.000 0.878 141 Q CA 0.584 55.969 55.803 -0.696 0.000 0.944 141 Q CB 0.253 28.446 28.738 -0.908 0.000 1.100 141 Q HN 0.807 nan 8.270 nan 0.000 0.509 142 S N 0.305 115.920 115.700 -0.142 0.000 2.496 142 S HA 0.041 4.510 4.470 -0.001 0.000 0.224 142 S C 1.045 175.631 174.600 -0.023 0.000 0.996 142 S CA -0.128 58.033 58.200 -0.064 0.000 0.927 142 S CB -0.297 62.878 63.200 -0.043 0.000 0.774 142 S HN 0.399 nan 8.310 nan 0.000 0.524 143 I N -1.968 118.598 120.570 -0.006 0.000 3.133 143 I HA 0.926 5.096 4.170 -0.001 0.000 0.311 143 I C -0.495 175.664 176.117 0.070 0.000 1.072 143 I CA -1.791 59.525 61.300 0.027 0.000 1.015 143 I CB 1.859 39.869 38.000 0.017 0.000 1.233 143 I HN 0.101 nan 8.210 nan 0.000 0.473 144 A N 3.136 126.001 122.820 0.075 0.000 2.498 144 A HA 0.826 5.146 4.320 -0.001 0.000 0.298 144 A C -0.948 176.703 177.584 0.112 0.000 1.075 144 A CA -0.779 51.323 52.037 0.107 0.000 0.714 144 A CB 2.067 21.125 19.000 0.097 0.000 1.299 144 A HN 0.800 nan 8.150 nan 0.000 0.407 145 M N 2.983 122.682 119.600 0.164 0.000 2.436 145 M HA 0.428 4.908 4.480 -0.001 0.000 0.331 145 M C -2.295 174.189 176.300 0.307 0.000 1.135 145 M CA -1.901 53.490 55.300 0.151 0.000 0.987 145 M CB 2.454 35.038 32.600 -0.028 0.000 1.687 145 M HN 0.545 nan 8.290 nan 0.000 0.445 146 P HA 0.264 nan 4.420 nan 0.000 0.274 146 P C -2.770 174.702 177.300 0.287 0.000 1.246 146 P CA -1.307 61.972 63.100 0.298 0.000 0.795 146 P CB -0.761 31.076 31.700 0.227 0.000 1.006 147 P HA -0.015 nan 4.420 nan 0.000 0.263 147 P C -0.056 177.134 177.300 -0.184 0.000 1.175 147 P CA 0.565 63.739 63.100 0.123 0.000 0.761 147 P CB -0.057 31.709 31.700 0.111 0.000 0.794 148 A N 5.767 128.292 122.820 -0.491 0.000 2.366 148 A HA 0.421 4.741 4.320 -0.001 0.000 0.249 148 A C -2.077 175.287 177.584 -0.367 0.000 1.084 148 A CA -1.243 50.344 52.037 -0.751 0.000 0.794 148 A CB -1.245 17.210 19.000 -0.908 0.000 1.034 148 A HN 0.399 nan 8.150 nan 0.000 0.491 149 P HA 0.217 nan 4.420 nan 0.000 0.267 149 P C -0.154 177.008 177.300 -0.230 0.000 1.200 149 P CA -0.022 62.911 63.100 -0.278 0.000 0.772 149 P CB 0.428 31.915 31.700 -0.355 0.000 0.855 150 V N 1.603 121.427 119.914 -0.150 0.000 2.863 150 V HA 0.229 4.349 4.120 -0.001 0.000 0.307 150 V C 1.409 177.463 176.094 -0.067 0.000 1.061 150 V CA -0.368 61.890 62.300 -0.070 0.000 1.024 150 V CB 0.485 32.301 31.823 -0.011 0.000 1.049 150 V HN 0.419 nan 8.190 nan 0.000 0.471 151 L N 1.987 123.213 121.223 0.004 0.000 2.187 151 L HA -0.109 4.231 4.340 -0.001 0.000 0.213 151 L C 2.567 179.414 176.870 -0.039 0.000 1.100 151 L CA 1.981 56.800 54.840 -0.034 0.000 0.765 151 L CB -0.600 41.434 42.059 -0.040 0.000 0.904 151 L HN 1.058 nan 8.230 nan 0.000 0.437 152 T N -3.955 110.600 114.554 0.000 0.000 3.148 152 T HA 0.042 4.392 4.350 -0.001 0.000 0.253 152 T C 0.862 175.546 174.700 -0.026 0.000 1.134 152 T CA 0.154 62.251 62.100 -0.005 0.000 1.051 152 T CB -0.316 68.574 68.868 0.036 0.000 0.959 152 T HN 0.304 nan 8.240 nan 0.000 0.525 153 S N 1.268 116.932 115.700 -0.060 0.000 2.586 153 S HA 0.416 4.886 4.470 -0.001 0.000 0.274 153 S C -1.923 172.613 174.600 -0.106 0.000 1.281 153 S CA -1.377 56.774 58.200 -0.082 0.000 1.035 153 S CB 1.616 64.738 63.200 -0.129 0.000 0.962 153 S HN -0.090 nan 8.310 nan 0.000 0.512 154 P HA -0.144 nan 4.420 nan 0.000 0.217 154 P C 1.300 178.467 177.300 -0.223 0.000 1.148 154 P CA 1.305 64.382 63.100 -0.039 0.000 0.828 154 P CB 0.096 31.855 31.700 0.100 0.000 0.783 155 E N -0.564 119.333 120.200 -0.505 0.000 2.047 155 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 155 E C 1.893 178.079 176.600 -0.690 0.000 0.987 155 E CA 0.678 56.368 56.400 -1.184 0.000 0.799 155 E CB -0.593 28.200 29.700 -1.511 0.000 0.752 155 E HN 0.032 nan 8.360 nan 0.000 0.449 156 L N 0.960 121.930 121.223 -0.422 0.000 2.046 156 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 156 L C 2.319 179.102 176.870 -0.146 0.000 1.077 156 L CA 1.272 55.946 54.840 -0.278 0.000 0.747 156 L CB -0.567 41.354 42.059 -0.230 0.000 0.896 156 L HN 0.177 nan 8.230 nan 0.000 0.432 157 V N 0.673 120.513 119.914 -0.124 0.000 2.287 157 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 157 V C 2.995 179.093 176.094 0.007 0.000 1.053 157 V CA 1.708 63.986 62.300 -0.038 0.000 1.027 157 V CB -1.150 30.656 31.823 -0.028 0.000 0.646 157 V HN 0.589 nan 8.190 nan 0.000 0.447 158 A N -0.630 122.164 122.820 -0.044 0.000 1.908 158 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 158 A C 2.190 179.843 177.584 0.115 0.000 1.181 158 A CA 2.055 54.132 52.037 0.067 0.000 0.627 158 A CB -0.501 18.406 19.000 -0.155 0.000 0.818 158 A HN 0.634 nan 8.150 nan 0.000 0.445 159 E N -1.015 119.177 120.200 -0.012 0.000 2.031 159 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 159 E C 1.913 178.650 176.600 0.228 0.000 0.994 159 E CA 1.297 57.771 56.400 0.123 0.000 0.800 159 E CB -0.256 29.493 29.700 0.081 0.000 0.752 159 E HN 0.576 nan 8.360 nan 0.000 0.447 160 I N 1.036 121.733 120.570 0.212 0.000 2.286 160 I HA -0.217 3.953 4.170 -0.001 0.000 0.248 160 I C 2.134 178.434 176.117 0.305 0.000 1.115 160 I CA 1.194 62.653 61.300 0.265 0.000 1.392 160 I CB -0.282 37.876 38.000 0.262 0.000 1.065 160 I HN 0.022 nan 8.210 nan 0.000 0.418 161 A N -0.262 122.699 122.820 0.235 0.000 1.883 161 A HA -0.316 4.003 4.320 -0.001 0.000 0.217 161 A C 2.396 180.129 177.584 0.248 0.000 1.186 161 A CA 2.139 54.308 52.037 0.220 0.000 0.624 161 A CB -0.941 18.146 19.000 0.146 0.000 0.822 161 A HN 0.601 nan 8.150 nan 0.000 0.444 162 E N -0.186 120.166 120.200 0.253 0.000 2.110 162 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 162 E C 1.913 178.606 176.600 0.156 0.000 0.988 162 E CA 1.109 57.668 56.400 0.265 0.000 0.804 162 E CB -0.206 29.690 29.700 0.326 0.000 0.745 162 E HN 0.657 nan 8.360 nan 0.000 0.458 163 L N -0.309 120.989 121.223 0.124 0.000 2.093 163 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 163 L C 2.244 179.094 176.870 -0.034 0.000 1.085 163 L CA 0.974 55.806 54.840 -0.012 0.000 0.755 163 L CB -0.473 41.548 42.059 -0.063 0.000 0.904 163 L HN 0.225 nan 8.230 nan 0.000 0.435 164 Y N 0.085 120.408 120.300 0.038 0.000 2.200 164 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 164 Y C 2.464 178.424 175.900 0.100 0.000 1.137 164 Y CA 1.144 59.278 58.100 0.056 0.000 1.163 164 Y CB -0.096 38.414 38.460 0.084 0.000 0.988 164 Y HN 0.035 nan 8.280 nan 0.000 0.518 165 L N -1.042 120.361 121.223 0.300 0.000 2.131 165 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 165 L C 2.251 179.292 176.870 0.286 0.000 1.092 165 L CA 1.255 56.315 54.840 0.368 0.000 0.759 165 L CB -0.418 41.870 42.059 0.382 0.000 0.903 165 L HN 0.346 nan 8.230 nan 0.000 0.435 166 M N -0.922 118.639 119.600 -0.065 0.000 2.098 166 M HA -0.152 4.328 4.480 -0.001 0.000 0.262 166 M C 2.571 178.779 176.300 -0.152 0.000 1.072 166 M CA 1.774 56.855 55.300 -0.364 0.000 1.133 166 M CB -0.404 31.869 32.600 -0.545 0.000 1.344 166 M HN 0.295 nan 8.290 nan 0.000 0.414 167 A N 0.557 123.308 122.820 -0.114 0.000 1.892 167 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 167 A C 2.005 179.549 177.584 -0.067 0.000 1.188 167 A CA 1.719 53.690 52.037 -0.109 0.000 0.631 167 A CB -1.170 17.753 19.000 -0.128 0.000 0.822 167 A HN 0.504 nan 8.150 nan 0.000 0.447 168 L N -1.066 120.168 121.223 0.018 0.000 2.478 168 L HA 0.035 4.374 4.340 -0.001 0.000 0.223 168 L C 2.066 178.804 176.870 -0.220 0.000 1.140 168 L CA 0.524 55.350 54.840 -0.022 0.000 0.842 168 L CB -0.181 41.968 42.059 0.149 0.000 0.953 168 L HN 0.489 nan 8.230 nan 0.000 0.452 169 G N -1.041 107.675 108.800 -0.141 0.000 3.502 169 G HA2 0.067 4.027 3.960 -0.001 0.000 0.267 169 G HA3 0.067 4.027 3.960 -0.001 0.000 0.267 169 G C 1.321 176.122 174.900 -0.164 0.000 1.090 169 G CA -0.415 44.541 45.100 -0.239 0.000 0.795 169 G HN 0.154 nan 8.290 nan 0.000 0.535 170 R N -0.099 120.309 120.500 -0.153 0.000 2.241 170 R HA -0.026 4.314 4.340 -0.001 0.000 0.224 170 R C 1.436 177.661 176.300 -0.125 0.000 1.101 170 R CA 0.856 56.879 56.100 -0.129 0.000 0.995 170 R CB 0.201 30.435 30.300 -0.110 0.000 0.870 170 R HN 0.148 nan 8.270 nan 0.000 0.463 171 E N -0.040 120.075 120.200 -0.142 0.000 2.474 171 E HA 0.145 4.495 4.350 -0.001 0.000 0.195 171 E C -0.170 176.361 176.600 -0.115 0.000 1.039 171 E CA 0.028 56.359 56.400 -0.115 0.000 0.881 171 E CB 0.335 29.969 29.700 -0.109 0.000 0.970 171 E HN 0.198 nan 8.360 nan 0.000 0.486 172 I N 2.023 122.510 120.570 -0.139 0.000 2.556 172 I HA 0.001 4.170 4.170 -0.001 0.000 0.284 172 I C 0.480 176.535 176.117 -0.104 0.000 1.114 172 I CA 0.105 61.344 61.300 -0.101 0.000 1.418 172 I CB 0.640 38.575 38.000 -0.109 0.000 1.394 172 I HN -0.059 nan 8.210 nan 0.000 0.552 173 E N 5.344 125.528 120.200 -0.026 0.000 2.289 173 E HA 0.109 4.459 4.350 -0.001 0.000 0.278 173 E C 0.299 176.924 176.600 0.043 0.000 1.032 173 E CA -0.239 56.151 56.400 -0.016 0.000 0.854 173 E CB 0.882 30.612 29.700 0.050 0.000 1.046 173 E HN 0.432 nan 8.360 nan 0.000 0.409 174 F N 1.204 121.177 119.950 0.039 0.000 2.091 174 F HA -0.252 4.275 4.527 -0.001 0.000 0.299 174 F C 2.331 178.032 175.800 -0.164 0.000 1.103 174 F CA 1.162 59.018 58.000 -0.239 0.000 1.228 174 F CB -0.063 38.749 39.000 -0.313 0.000 0.984 174 F HN 0.379 nan 8.300 nan 0.000 0.477 175 S N -0.851 114.940 115.700 0.152 0.000 2.595 175 S HA -0.083 4.387 4.470 -0.001 0.000 0.235 175 S C 1.017 175.692 174.600 0.126 0.000 0.974 175 S CA 0.694 58.961 58.200 0.111 0.000 0.942 175 S CB -0.317 62.944 63.200 0.102 0.000 0.766 175 S HN 0.377 nan 8.310 nan 0.000 0.536 176 E N -0.281 120.022 120.200 0.171 0.000 2.734 176 E HA 0.186 4.536 4.350 -0.001 0.000 0.211 176 E C 0.138 176.894 176.600 0.261 0.000 0.991 176 E CA -0.221 56.282 56.400 0.171 0.000 1.065 176 E CB -0.025 29.744 29.700 0.114 0.000 1.047 176 E HN 0.334 nan 8.360 nan 0.000 0.470 177 F N 1.809 121.783 119.950 0.040 0.000 2.192 177 F HA -0.164 4.362 4.527 -0.001 0.000 0.301 177 F C 1.851 177.666 175.800 0.025 0.000 1.079 177 F CA 1.415 59.432 58.000 0.029 0.000 1.303 177 F CB 0.032 39.064 39.000 0.052 0.000 1.024 177 F HN 0.051 nan 8.300 nan 0.000 0.494 178 D N -0.857 119.674 120.400 0.219 0.000 2.369 178 D HA 0.046 4.685 4.640 -0.001 0.000 0.211 178 D C 0.622 176.971 176.300 0.083 0.000 1.077 178 D CA 0.117 54.192 54.000 0.124 0.000 0.842 178 D CB 0.025 40.897 40.800 0.119 0.000 0.947 178 D HN 0.081 nan 8.370 nan 0.000 0.509 179 S N 0.031 115.782 115.700 0.085 0.000 2.576 179 S HA 0.174 4.644 4.470 -0.001 0.000 0.276 179 S C -1.430 173.195 174.600 0.041 0.000 1.339 179 S CA -0.932 57.304 58.200 0.059 0.000 1.039 179 S CB 1.764 65.000 63.200 0.060 0.000 0.902 179 S HN -0.167 nan 8.310 nan 0.000 0.516 180 P HA -0.143 nan 4.420 nan 0.000 0.216 180 P C 1.257 178.569 177.300 0.020 0.000 1.154 180 P CA 1.301 64.414 63.100 0.023 0.000 0.865 180 P CB 0.036 31.748 31.700 0.019 0.000 0.789 181 K N -1.002 119.410 120.400 0.020 0.000 2.360 181 K HA -0.126 4.194 4.320 -0.001 0.000 0.201 181 K C 1.074 177.684 176.600 0.017 0.000 1.046 181 K CA 1.107 57.403 56.287 0.014 0.000 0.940 181 K CB -0.174 32.333 32.500 0.011 0.000 0.748 181 K HN 0.056 nan 8.250 nan 0.000 0.465 182 N N -0.475 118.241 118.700 0.026 0.000 2.220 182 N HA 0.089 4.828 4.740 -0.001 0.000 0.195 182 N C 1.036 176.572 175.510 0.044 0.000 1.123 182 N CA 0.528 53.599 53.050 0.035 0.000 0.874 182 N CB 0.655 39.158 38.487 0.026 0.000 0.995 182 N HN 0.160 nan 8.380 nan 0.000 0.498 183 A N 1.223 124.059 122.820 0.028 0.000 1.940 183 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 183 A C 2.123 179.719 177.584 0.020 0.000 1.176 183 A CA 1.708 53.755 52.037 0.016 0.000 0.631 183 A CB -0.399 18.608 19.000 0.012 0.000 0.814 183 A HN 0.404 nan 8.150 nan 0.000 0.446 184 E N -1.668 118.553 120.200 0.035 0.000 2.031 184 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 184 E C 1.887 178.523 176.600 0.061 0.000 0.994 184 E CA 1.512 57.934 56.400 0.037 0.000 0.800 184 E CB -0.396 29.317 29.700 0.022 0.000 0.752 184 E HN 0.663 nan 8.360 nan 0.000 0.447 185 Y N 0.735 121.026 120.300 -0.016 0.000 2.145 185 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 185 Y C 2.048 177.972 175.900 0.040 0.000 1.145 185 Y CA 1.590 59.698 58.100 0.014 0.000 1.148 185 Y CB -0.103 38.338 38.460 -0.032 0.000 0.981 185 Y HN 0.136 nan 8.280 nan 0.000 0.507 186 I N 0.159 120.734 120.570 0.008 0.000 2.163 186 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 186 I C 2.302 178.312 176.117 -0.179 0.000 1.085 186 I CA 1.654 62.872 61.300 -0.137 0.000 1.347 186 I CB -1.338 36.584 38.000 -0.131 0.000 1.044 186 I HN 0.311 nan 8.210 nan 0.000 0.408 187 Q N 0.316 120.057 119.800 -0.099 0.000 2.124 187 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 187 Q C 2.081 178.022 176.000 -0.099 0.000 0.977 187 Q CA 1.512 57.261 55.803 -0.091 0.000 0.850 187 Q CB -0.611 28.102 28.738 -0.041 0.000 0.901 187 Q HN 0.435 nan 8.270 nan 0.000 0.429 188 F N 0.099 119.904 119.950 -0.242 0.000 2.095 188 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 188 F C 1.884 177.498 175.800 -0.310 0.000 1.104 188 F CA 1.746 59.586 58.000 -0.266 0.000 1.232 188 F CB -0.669 38.145 39.000 -0.311 0.000 0.987 188 F HN 0.111 nan 8.300 nan 0.000 0.475 189 A N 0.721 123.296 122.820 -0.408 0.000 1.877 189 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 189 A C 2.310 179.661 177.584 -0.388 0.000 1.186 189 A CA 2.004 53.783 52.037 -0.431 0.000 0.620 189 A CB -1.252 17.532 19.000 -0.359 0.000 0.822 189 A HN 0.513 nan 8.150 nan 0.000 0.443 190 I N -0.034 120.332 120.570 -0.339 0.000 2.142 190 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 190 I C 1.864 177.810 176.117 -0.284 0.000 1.078 190 I CA 1.642 62.762 61.300 -0.300 0.000 1.343 190 I CB -0.488 37.373 38.000 -0.232 0.000 1.046 190 I HN 0.243 nan 8.210 nan 0.000 0.405 191 D N 0.253 120.493 120.400 -0.267 0.000 2.178 191 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 191 D C 2.290 178.423 176.300 -0.278 0.000 0.980 191 D CA 0.939 54.799 54.000 -0.233 0.000 0.842 191 D CB -0.243 40.444 40.800 -0.189 0.000 0.948 191 D HN 0.347 nan 8.370 nan 0.000 0.472 192 Q N 0.094 119.645 119.800 -0.414 0.000 2.046 192 Q HA -0.010 4.329 4.340 -0.001 0.000 0.200 192 Q C 2.632 178.493 176.000 -0.231 0.000 0.975 192 Q CA 0.518 56.084 55.803 -0.395 0.000 0.836 192 Q CB -0.253 28.121 28.738 -0.607 0.000 0.896 192 Q HN 0.378 nan 8.270 nan 0.000 0.428 193 L N 0.970 122.038 121.223 -0.259 0.000 2.093 193 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 193 L C 1.859 178.620 176.870 -0.182 0.000 1.085 193 L CA 0.768 55.460 54.840 -0.247 0.000 0.755 193 L CB -0.477 41.240 42.059 -0.570 0.000 0.904 193 L HN 0.174 nan 8.230 nan 0.000 0.435 194 N N 0.456 119.028 118.700 -0.214 0.000 2.520 194 N HA -0.082 4.657 4.740 -0.001 0.000 0.185 194 N C 1.636 177.125 175.510 -0.035 0.000 1.068 194 N CA 1.127 54.111 53.050 -0.109 0.000 0.911 194 N CB -0.082 38.327 38.487 -0.130 0.000 0.961 194 N HN 0.334 nan 8.380 nan 0.000 0.446 195 G N -0.376 108.395 108.800 -0.049 0.000 2.985 195 G HA2 0.182 4.142 3.960 -0.001 0.000 0.209 195 G HA3 0.182 4.142 3.960 -0.001 0.000 0.209 195 G C 0.269 175.184 174.900 0.026 0.000 1.165 195 G CA -0.123 44.962 45.100 -0.026 0.000 0.776 195 G HN 0.129 nan 8.290 nan 0.000 0.541 196 L N -0.003 121.279 121.223 0.098 0.000 2.307 196 L HA 0.347 4.686 4.340 -0.001 0.000 0.284 196 L C 1.433 178.402 176.870 0.165 0.000 1.023 196 L CA -0.658 54.270 54.840 0.147 0.000 0.810 196 L CB 2.102 44.299 42.059 0.231 0.000 1.231 196 L HN 0.130 nan 8.230 nan 0.000 0.423 197 E N 3.088 123.355 120.200 0.112 0.000 2.113 197 E HA -0.302 4.048 4.350 -0.001 0.000 0.210 197 E C 1.647 178.313 176.600 0.109 0.000 1.040 197 E CA 2.411 58.867 56.400 0.093 0.000 0.847 197 E CB -0.024 29.725 29.700 0.081 0.000 0.755 197 E HN 0.792 nan 8.360 nan 0.000 0.459 198 W N -0.096 121.147 121.300 -0.095 0.000 2.338 198 W HA -0.243 4.416 4.660 -0.000 0.000 0.304 198 W C 1.569 177.932 176.519 -0.261 0.000 1.212 198 W CA 1.316 58.518 57.345 -0.237 0.000 1.264 198 W CB -0.359 28.854 29.460 -0.412 0.000 1.142 198 W HN 0.154 nan 8.180 nan 0.000 0.512 199 F N 1.111 121.081 119.950 0.033 0.000 2.387 199 F HA -0.127 4.399 4.527 -0.001 0.000 0.294 199 F C 2.078 177.812 175.800 -0.110 0.000 1.093 199 F CA 1.460 59.408 58.000 -0.086 0.000 1.420 199 F CB -0.607 38.385 39.000 -0.013 0.000 1.086 199 F HN -0.082 nan 8.300 nan 0.000 0.531 200 N N -1.309 117.457 118.700 0.111 0.000 2.280 200 N HA 0.028 4.768 4.740 -0.001 0.000 0.192 200 N C -0.390 175.111 175.510 -0.015 0.000 1.109 200 N CA 0.359 53.431 53.050 0.037 0.000 0.855 200 N CB -0.205 38.303 38.487 0.035 0.000 0.974 200 N HN -0.125 nan 8.380 nan 0.000 0.482 201 T N 1.831 116.355 114.554 -0.050 0.000 2.886 201 T HA 0.475 4.825 4.350 -0.001 0.000 0.292 201 T C -2.882 171.730 174.700 -0.147 0.000 1.012 201 T CA -1.274 60.783 62.100 -0.073 0.000 0.982 201 T CB 2.706 71.547 68.868 -0.045 0.000 1.018 201 T HN 0.011 nan 8.240 nan 0.000 0.451 202 P HA 0.486 nan 4.420 nan 0.000 0.276 202 P C -0.471 176.718 177.300 -0.186 0.000 1.261 202 P CA -0.585 62.408 63.100 -0.179 0.000 0.800 202 P CB 0.432 32.060 31.700 -0.119 0.000 1.066 203 A N 1.353 124.043 122.820 -0.216 0.000 2.492 203 A HA 0.270 4.589 4.320 -0.001 0.000 0.236 203 A C 0.521 178.053 177.584 -0.087 0.000 1.078 203 A CA 0.162 52.104 52.037 -0.158 0.000 0.773 203 A CB -0.413 18.499 19.000 -0.147 0.000 1.023 203 A HN 0.650 nan 8.150 nan 0.000 0.504 204 K N 1.025 121.394 120.400 -0.052 0.000 2.259 204 K HA 0.628 4.947 4.320 -0.001 0.000 0.249 204 K C -0.696 175.892 176.600 -0.021 0.000 0.942 204 K CA -0.922 55.345 56.287 -0.033 0.000 0.816 204 K CB 1.222 33.709 32.500 -0.022 0.000 1.155 204 K HN 0.426 nan 8.250 nan 0.000 0.428 205 L N 2.470 123.683 121.223 -0.017 0.000 2.640 205 L HA 0.082 4.421 4.340 -0.001 0.000 0.280 205 L C 1.083 177.950 176.870 -0.005 0.000 1.229 205 L CA 2.569 57.403 54.840 -0.010 0.000 0.919 205 L CB -0.232 41.821 42.059 -0.009 0.000 1.168 205 L HN 1.089 nan 8.230 nan 0.000 0.496 206 G N 2.372 111.171 108.800 -0.001 0.000 2.213 206 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.236 206 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.236 206 G C 0.260 175.163 174.900 0.006 0.000 0.991 206 G CA 0.099 45.200 45.100 0.001 0.000 0.629 206 G HN 0.686 nan 8.290 nan 0.000 0.517 207 D N 2.122 122.527 120.400 0.008 0.000 2.378 207 D HA 0.426 5.065 4.640 -0.001 0.000 0.238 207 D C -1.920 174.397 176.300 0.028 0.000 1.180 207 D CA -0.660 53.353 54.000 0.021 0.000 0.895 207 D CB 0.362 41.175 40.800 0.021 0.000 1.192 207 D HN 0.141 nan 8.370 nan 0.000 0.438 208 P HA 0.056 nan 4.420 nan 0.000 0.264 208 P C -1.937 175.403 177.300 0.066 0.000 1.193 208 P CA -0.807 62.323 63.100 0.050 0.000 0.763 208 P CB 0.263 32.001 31.700 0.062 0.000 0.810 209 P HA -0.246 nan 4.420 nan 0.000 0.216 209 P C 1.203 178.567 177.300 0.107 0.000 1.150 209 P CA 1.757 64.901 63.100 0.073 0.000 0.843 209 P CB -0.213 31.528 31.700 0.070 0.000 0.787 210 A N -0.148 122.750 122.820 0.130 0.000 1.933 210 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 210 A C 2.206 179.911 177.584 0.201 0.000 1.175 210 A CA 1.568 53.713 52.037 0.181 0.000 0.628 210 A CB -1.122 17.990 19.000 0.186 0.000 0.814 210 A HN 0.169 nan 8.150 nan 0.000 0.444 211 E N -0.309 119.997 120.200 0.177 0.000 2.051 211 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 211 E C 1.910 178.589 176.600 0.131 0.000 0.991 211 E CA 1.362 57.896 56.400 0.224 0.000 0.799 211 E CB -0.315 29.522 29.700 0.228 0.000 0.748 211 E HN 0.707 nan 8.360 nan 0.000 0.449 212 I N 0.651 121.259 120.570 0.063 0.000 2.208 212 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 212 I C 2.738 178.856 176.117 0.003 0.000 1.097 212 I CA 1.104 62.401 61.300 -0.004 0.000 1.363 212 I CB -0.269 37.734 38.000 0.005 0.000 1.051 212 I HN 0.041 nan 8.210 nan 0.000 0.413 213 R N 1.519 122.061 120.500 0.070 0.000 2.092 213 R HA -0.162 4.178 4.340 -0.001 0.000 0.231 213 R C 2.408 178.694 176.300 -0.023 0.000 1.119 213 R CA 1.547 57.697 56.100 0.083 0.000 0.970 213 R CB -0.069 30.359 30.300 0.212 0.000 0.864 213 R HN 0.429 nan 8.270 nan 0.000 0.440 214 R N -0.294 120.220 120.500 0.022 0.000 2.280 214 R HA 0.091 4.431 4.340 -0.001 0.000 0.195 214 R C 0.530 176.861 176.300 0.052 0.000 0.935 214 R CA -0.278 55.780 56.100 -0.071 0.000 1.033 214 R CB -0.126 30.262 30.300 0.147 0.000 0.964 214 R HN -0.110 nan 8.270 nan 0.000 0.489 215 R N 2.168 122.643 120.500 -0.041 0.000 2.538 215 R HA 0.039 4.379 4.340 -0.001 0.000 0.282 215 R C -0.628 175.459 176.300 -0.355 0.000 1.009 215 R CA 0.291 56.157 56.100 -0.390 0.000 1.063 215 R CB 0.519 30.399 30.300 -0.700 0.000 0.945 215 R HN 0.196 nan 8.270 nan 0.000 0.414 216 R N 2.082 122.333 120.500 -0.416 0.000 2.598 216 R HA 0.403 4.743 4.340 -0.001 0.000 0.279 216 R C 0.341 176.554 176.300 -0.145 0.000 0.984 216 R CA -0.334 55.648 56.100 -0.197 0.000 0.999 216 R CB 1.837 32.131 30.300 -0.011 0.000 1.114 216 R HN 0.822 nan 8.270 nan 0.000 0.493 217 G N 0.107 108.895 108.800 -0.020 0.000 2.945 217 G HA2 0.071 4.031 3.960 -0.001 0.000 0.156 217 G HA3 0.071 4.031 3.960 -0.001 0.000 0.156 217 G C -0.648 174.301 174.900 0.082 0.000 1.375 217 G CA -0.434 44.668 45.100 0.004 0.000 1.039 217 G HN 0.504 nan 8.290 nan 0.000 0.586 218 E N -0.386 119.821 120.200 0.012 0.000 2.465 218 E HA 0.156 4.506 4.350 -0.001 0.000 0.260 218 E C -0.252 176.308 176.600 -0.066 0.000 0.980 218 E CA -0.063 56.322 56.400 -0.025 0.000 0.927 218 E CB 0.789 30.468 29.700 -0.034 0.000 0.934 218 E HN 0.025 nan 8.360 nan 0.000 0.459 219 V N 4.208 124.025 119.914 -0.163 0.000 2.546 219 V HA 0.225 4.344 4.120 -0.001 0.000 0.284 219 V C 0.647 176.651 176.094 -0.150 0.000 1.050 219 V CA -0.106 62.061 62.300 -0.221 0.000 0.981 219 V CB 1.238 32.806 31.823 -0.425 0.000 0.990 219 V HN 0.855 nan 8.190 nan 0.000 0.474 220 T N 0.529 115.018 114.554 -0.108 0.000 2.838 220 T HA 0.399 4.749 4.350 -0.001 0.000 0.292 220 T C 0.646 175.311 174.700 -0.059 0.000 1.113 220 T CA 0.009 62.066 62.100 -0.072 0.000 1.008 220 T CB 1.595 70.446 68.868 -0.029 0.000 1.259 220 T HN 0.220 nan 8.240 nan 0.000 0.520 221 V N 1.039 120.938 119.914 -0.026 0.000 2.407 221 V HA 0.125 4.245 4.120 -0.001 0.000 0.248 221 V C 2.360 178.528 176.094 0.125 0.000 1.055 221 V CA 2.736 65.052 62.300 0.025 0.000 1.049 221 V CB -1.142 30.707 31.823 0.043 0.000 0.662 221 V HN 1.097 nan 8.190 nan 0.000 0.455 222 G N 0.506 109.359 108.800 0.089 0.000 2.534 222 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 222 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 222 G C 1.090 176.048 174.900 0.097 0.000 1.128 222 G CA 0.858 46.017 45.100 0.098 0.000 0.784 222 G HN 0.763 nan 8.290 nan 0.000 0.542 223 N N -0.871 117.874 118.700 0.075 0.000 2.184 223 N HA 0.165 4.904 4.740 -0.001 0.000 0.206 223 N C 0.536 176.117 175.510 0.117 0.000 1.151 223 N CA -0.596 52.505 53.050 0.085 0.000 0.878 223 N CB -0.172 38.343 38.487 0.048 0.000 1.014 223 N HN 0.118 nan 8.380 nan 0.000 0.512 224 L N 1.661 122.930 121.223 0.076 0.000 2.559 224 L HA 0.128 4.468 4.340 -0.001 0.000 0.274 224 L C -0.010 176.988 176.870 0.213 0.000 1.205 224 L CA 0.865 55.657 54.840 -0.079 0.000 0.907 224 L CB -0.941 40.894 42.059 -0.373 0.000 1.153 224 L HN 0.402 nan 8.230 nan 0.000 0.490 225 F N 2.210 122.355 119.950 0.324 0.000 3.034 225 F HA -0.331 4.195 4.527 -0.000 0.000 0.286 225 F C 1.116 177.241 175.800 0.542 0.000 0.804 225 F CA 0.149 58.409 58.000 0.433 0.000 1.161 225 F CB -1.147 38.132 39.000 0.465 0.000 1.317 225 F HN 0.589 nan 8.300 nan 0.000 0.453 226 R N 0.527 121.339 120.500 0.520 0.000 2.596 226 R HA 0.613 4.953 4.340 -0.001 0.000 0.267 226 R C 0.899 177.375 176.300 0.294 0.000 1.026 226 R CA -0.006 56.248 56.100 0.257 0.000 1.087 226 R CB 0.850 31.203 30.300 0.089 0.000 1.132 226 R HN 0.098 nan 8.270 nan 0.000 0.531 227 G N 0.139 109.041 108.800 0.170 0.000 2.535 227 G HA2 0.341 4.300 3.960 -0.001 0.000 0.282 227 G HA3 0.341 4.300 3.960 -0.001 0.000 0.282 227 G C 0.629 175.658 174.900 0.215 0.000 1.350 227 G CA -0.547 44.691 45.100 0.229 0.000 1.039 227 G HN 0.692 nan 8.290 nan 0.000 0.509 228 I N -2.443 118.242 120.570 0.191 0.000 4.147 228 I HA 0.417 4.586 4.170 -0.001 0.000 0.329 228 I C 0.068 176.243 176.117 0.096 0.000 1.424 228 I CA -0.429 60.945 61.300 0.123 0.000 1.127 228 I CB 0.029 38.077 38.000 0.079 0.000 1.128 228 I HN 0.023 nan 8.210 nan 0.000 0.417 229 L N 4.127 125.399 121.223 0.082 0.000 2.485 229 L HA 0.262 4.602 4.340 -0.001 0.000 0.275 229 L C -1.854 175.071 176.870 0.093 0.000 1.207 229 L CA -1.543 53.340 54.840 0.071 0.000 0.855 229 L CB -0.259 41.770 42.059 -0.050 0.000 1.114 229 L HN -0.010 nan 8.230 nan 0.000 0.485 230 P HA 0.002 nan 4.420 nan 0.000 0.262 230 P C 0.770 178.126 177.300 0.094 0.000 1.199 230 P CA 0.815 63.983 63.100 0.114 0.000 0.763 230 P CB 0.876 32.660 31.700 0.140 0.000 0.790 231 G N 2.774 111.607 108.800 0.055 0.000 2.259 231 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.217 231 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.217 231 G C 1.379 176.263 174.900 -0.027 0.000 1.001 231 G CA 0.291 45.406 45.100 0.026 0.000 0.627 231 G HN 0.440 nan 8.290 nan 0.000 0.501 232 S N 0.318 116.003 115.700 -0.026 0.000 2.428 232 S HA 0.079 4.549 4.470 -0.001 0.000 0.230 232 S C 1.630 176.164 174.600 -0.110 0.000 1.014 232 S CA 1.464 59.613 58.200 -0.085 0.000 0.957 232 S CB -0.060 63.102 63.200 -0.063 0.000 0.784 232 S HN 0.654 nan 8.310 nan 0.000 0.499 233 E N 0.831 120.998 120.200 -0.055 0.000 2.474 233 E HA 0.084 4.433 4.350 -0.001 0.000 0.195 233 E C -0.597 175.969 176.600 -0.057 0.000 1.039 233 E CA -0.063 56.312 56.400 -0.042 0.000 0.881 233 E CB 0.571 30.273 29.700 0.004 0.000 0.970 233 E HN 0.227 nan 8.360 nan 0.000 0.486 234 V N 0.480 120.336 119.914 -0.098 0.000 2.427 234 V HA 0.619 4.739 4.120 -0.001 0.000 0.286 234 V C 0.832 176.680 176.094 -0.410 0.000 1.034 234 V CA -0.251 61.952 62.300 -0.161 0.000 0.893 234 V CB 0.663 32.431 31.823 -0.093 0.000 0.982 234 V HN 0.381 nan 8.190 nan 0.000 0.452 235 G N 6.138 114.550 108.800 -0.646 0.000 2.598 235 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.244 235 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.244 235 G C -2.689 171.962 174.900 -0.414 0.000 1.302 235 G CA -0.390 44.131 45.100 -0.965 0.000 0.903 235 G HN 0.765 nan 8.290 nan 0.000 0.575 236 P HA 0.299 nan 4.420 nan 0.000 0.272 236 P C 0.456 177.661 177.300 -0.159 0.000 1.230 236 P CA -0.158 62.842 63.100 -0.167 0.000 0.788 236 P CB 0.310 31.935 31.700 -0.124 0.000 0.949 237 Y N 1.512 121.667 120.300 -0.242 0.000 2.145 237 Y HA -0.063 4.487 4.550 -0.001 0.000 0.286 237 Y C 0.684 176.391 175.900 -0.322 0.000 1.145 237 Y CA 1.259 59.193 58.100 -0.277 0.000 1.148 237 Y CB -0.043 38.193 38.460 -0.374 0.000 0.981 237 Y HN 0.122 nan 8.280 nan 0.000 0.507 238 L N 0.785 121.931 121.223 -0.130 0.000 2.305 238 L HA 0.159 4.499 4.340 -0.001 0.000 0.281 238 L C 0.614 177.371 176.870 -0.190 0.000 1.085 238 L CA -0.500 54.224 54.840 -0.193 0.000 0.813 238 L CB 1.112 43.025 42.059 -0.244 0.000 1.157 238 L HN -0.012 nan 8.230 nan 0.000 0.436 239 S N 1.844 117.430 115.700 -0.190 0.000 2.558 239 S HA -0.049 4.421 4.470 -0.001 0.000 0.293 239 S C 1.196 175.667 174.600 -0.214 0.000 1.292 239 S CA -0.477 57.611 58.200 -0.187 0.000 1.063 239 S CB 0.715 63.853 63.200 -0.103 0.000 0.831 239 S HN 0.627 nan 8.310 nan 0.000 0.499 240 Q N 3.543 123.144 119.800 -0.332 0.000 2.197 240 Q HA -0.182 4.158 4.340 -0.001 0.000 0.207 240 Q C 1.313 177.160 176.000 -0.255 0.000 0.984 240 Q CA 2.039 57.653 55.803 -0.314 0.000 0.869 240 Q CB -0.451 28.025 28.738 -0.436 0.000 0.906 240 Q HN 0.975 nan 8.270 nan 0.000 0.426 241 Y N -0.790 119.489 120.300 -0.035 0.000 2.583 241 Y HA 0.050 4.600 4.550 -0.000 0.000 0.293 241 Y C 1.961 177.817 175.900 -0.075 0.000 1.157 241 Y CA -0.029 58.044 58.100 -0.046 0.000 1.315 241 Y CB 0.140 38.574 38.460 -0.042 0.000 1.021 241 Y HN 0.055 nan 8.280 nan 0.000 0.536 242 I N 0.261 120.820 120.570 -0.019 0.000 4.018 242 I HA 0.022 4.191 4.170 -0.001 0.000 0.337 242 I C 1.273 177.361 176.117 -0.048 0.000 1.327 242 I CA 0.345 61.586 61.300 -0.099 0.000 1.100 242 I CB 0.321 38.137 38.000 -0.305 0.000 1.025 242 I HN 0.260 nan 8.210 nan 0.000 0.396 243 I N -2.200 118.356 120.570 -0.024 0.000 4.530 243 I HA 0.225 4.395 4.170 -0.001 0.000 0.318 243 I C 0.552 176.666 176.117 -0.006 0.000 1.257 243 I CA -0.197 61.101 61.300 -0.002 0.000 1.301 243 I CB 0.135 38.132 38.000 -0.004 0.000 1.297 243 I HN -0.170 nan 8.210 nan 0.000 0.451 244 V N 1.409 121.315 119.914 -0.013 0.000 2.834 244 V HA 0.839 4.958 4.120 -0.001 0.000 0.301 244 V C 0.843 176.911 176.094 -0.042 0.000 1.066 244 V CA 0.108 62.376 62.300 -0.054 0.000 1.052 244 V CB 0.653 32.458 31.823 -0.030 0.000 1.021 244 V HN 0.228 nan 8.190 nan 0.000 0.480 245 G N 2.229 110.965 108.800 -0.107 0.000 2.574 245 G HA2 0.648 4.608 3.960 -0.001 0.000 0.248 245 G HA3 0.648 4.608 3.960 -0.001 0.000 0.248 245 G C -0.062 174.767 174.900 -0.120 0.000 1.422 245 G CA -0.014 45.025 45.100 -0.102 0.000 1.051 245 G HN 1.672 nan 8.290 nan 0.000 0.560 246 S N -1.771 113.850 115.700 -0.133 0.000 2.661 246 S HA 0.520 4.990 4.470 -0.001 0.000 0.285 246 S C -0.457 174.054 174.600 -0.149 0.000 1.138 246 S CA -0.762 57.376 58.200 -0.102 0.000 0.855 246 S CB 1.877 65.060 63.200 -0.029 0.000 1.136 246 S HN 0.646 nan 8.310 nan 0.000 0.484 247 K N 0.843 121.181 120.400 -0.103 0.000 2.561 247 K HA 0.023 4.343 4.320 -0.001 0.000 0.280 247 K C -0.427 176.144 176.600 -0.048 0.000 0.975 247 K CA 0.436 56.678 56.287 -0.075 0.000 1.024 247 K CB 0.222 32.709 32.500 -0.021 0.000 0.883 247 K HN 0.570 nan 8.250 nan 0.000 0.496 248 Q N 2.697 122.471 119.800 -0.043 0.000 2.297 248 Q HA 0.306 4.646 4.340 -0.001 0.000 0.268 248 Q C -0.001 175.998 176.000 -0.002 0.000 1.045 248 Q CA -0.979 54.810 55.803 -0.022 0.000 0.861 248 Q CB 1.263 29.982 28.738 -0.032 0.000 1.344 248 Q HN 0.496 nan 8.270 nan 0.000 0.452 249 I N 1.193 121.766 120.570 0.006 0.000 2.826 249 I HA -0.005 4.165 4.170 -0.001 0.000 0.295 249 I C 1.460 177.582 176.117 0.008 0.000 1.213 249 I CA 1.637 62.943 61.300 0.010 0.000 1.436 249 I CB -0.649 37.356 38.000 0.009 0.000 1.348 249 I HN 0.988 nan 8.210 nan 0.000 0.570 250 G N 4.755 113.561 108.800 0.010 0.000 2.278 250 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.210 250 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.210 250 G C 0.355 175.264 174.900 0.015 0.000 1.000 250 G CA -0.087 45.020 45.100 0.012 0.000 0.635 250 G HN 0.554 nan 8.290 nan 0.000 0.495 251 S N 1.287 116.997 115.700 0.016 0.000 2.439 251 S HA 0.761 5.230 4.470 -0.001 0.000 0.282 251 S C 0.297 174.910 174.600 0.021 0.000 1.170 251 S CA 0.579 58.792 58.200 0.021 0.000 1.054 251 S CB 1.366 64.580 63.200 0.022 0.000 0.956 251 S HN 1.775 nan 8.310 nan 0.000 0.490 252 A N 3.061 125.894 122.820 0.022 0.000 2.605 252 A HA 0.674 4.993 4.320 -0.001 0.000 0.294 252 A C -0.616 176.981 177.584 0.021 0.000 1.062 252 A CA -0.905 51.145 52.037 0.021 0.000 0.682 252 A CB 1.057 20.067 19.000 0.018 0.000 1.278 252 A HN 0.502 nan 8.150 nan 0.000 0.410 253 T N 1.504 116.071 114.554 0.021 0.000 2.749 253 T HA 0.533 4.882 4.350 -0.001 0.000 0.287 253 T C -0.566 174.144 174.700 0.016 0.000 0.970 253 T CA -0.271 61.840 62.100 0.019 0.000 0.980 253 T CB 0.888 69.768 68.868 0.021 0.000 0.924 253 T HN 0.710 nan 8.240 nan 0.000 0.456 254 V N 3.960 123.883 119.914 0.014 0.000 2.304 254 V HA 0.627 4.747 4.120 -0.001 0.000 0.278 254 V C 1.172 177.272 176.094 0.011 0.000 1.018 254 V CA -0.023 62.284 62.300 0.012 0.000 0.814 254 V CB 0.172 32.001 31.823 0.010 0.000 1.021 254 V HN 1.217 nan 8.190 nan 0.000 0.440 255 G N 5.854 114.660 108.800 0.011 0.000 2.629 255 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.313 255 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.313 255 G C 0.656 175.563 174.900 0.011 0.000 1.217 255 G CA 0.932 46.038 45.100 0.010 0.000 0.994 255 G HN 1.121 nan 8.290 nan 0.000 0.549 256 N N 0.944 119.651 118.700 0.011 0.000 2.370 256 N HA 0.168 4.908 4.740 -0.001 0.000 0.198 256 N C 0.478 175.996 175.510 0.012 0.000 1.156 256 N CA 1.221 54.278 53.050 0.012 0.000 0.839 256 N CB 0.460 38.953 38.487 0.010 0.000 0.989 256 N HN 0.782 nan 8.380 nan 0.000 0.468 257 K N 0.079 120.486 120.400 0.013 0.000 2.244 257 K HA 0.325 4.644 4.320 -0.001 0.000 0.260 257 K C -1.065 175.544 176.600 0.016 0.000 0.951 257 K CA -0.451 55.844 56.287 0.014 0.000 0.826 257 K CB 1.053 33.560 32.500 0.012 0.000 1.108 257 K HN -0.057 nan 8.250 nan 0.000 0.433 258 T N 4.928 119.493 114.554 0.018 0.000 2.756 258 T HA 0.359 4.709 4.350 -0.001 0.000 0.290 258 T C -0.665 174.048 174.700 0.022 0.000 0.985 258 T CA -0.602 61.511 62.100 0.021 0.000 0.955 258 T CB 0.365 69.248 68.868 0.025 0.000 0.930 258 T HN 0.318 nan 8.240 nan 0.000 0.451 259 L N 3.678 124.913 121.223 0.021 0.000 2.334 259 L HA 0.671 5.011 4.340 -0.001 0.000 0.275 259 L C -0.154 176.731 176.870 0.025 0.000 1.036 259 L CA -0.657 54.195 54.840 0.021 0.000 0.807 259 L CB 1.519 43.589 42.059 0.017 0.000 1.231 259 L HN 0.323 nan 8.230 nan 0.000 0.438 260 V N 0.841 120.771 119.914 0.026 0.000 2.540 260 V HA 0.427 4.547 4.120 -0.001 0.000 0.302 260 V C 0.071 176.181 176.094 0.027 0.000 1.035 260 V CA -0.729 61.590 62.300 0.032 0.000 0.873 260 V CB 1.873 33.719 31.823 0.038 0.000 0.992 260 V HN 0.810 nan 8.190 nan 0.000 0.428 261 S N 5.491 121.206 115.700 0.026 0.000 2.549 261 S HA 0.246 4.715 4.470 -0.001 0.000 0.279 261 S C -1.308 173.306 174.600 0.023 0.000 1.321 261 S CA -0.833 57.379 58.200 0.019 0.000 1.054 261 S CB 1.079 64.287 63.200 0.012 0.000 0.899 261 S HN 0.635 nan 8.310 nan 0.000 0.497 262 P HA 0.007 nan 4.420 nan 0.000 0.228 262 P C 0.156 177.469 177.300 0.021 0.000 1.151 262 P CA 0.850 63.962 63.100 0.021 0.000 0.770 262 P CB 0.026 31.735 31.700 0.016 0.000 0.786 263 N N -1.251 117.458 118.700 0.016 0.000 2.204 263 N HA 0.167 4.907 4.740 -0.001 0.000 0.219 263 N C 1.287 176.800 175.510 0.005 0.000 1.151 263 N CA 0.171 53.227 53.050 0.011 0.000 0.867 263 N CB 0.149 38.639 38.487 0.004 0.000 1.043 263 N HN 0.017 nan 8.380 nan 0.000 0.516 264 A N 1.299 124.130 122.820 0.019 0.000 1.948 264 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 264 A C 2.329 179.925 177.584 0.020 0.000 1.177 264 A CA 1.945 53.992 52.037 0.017 0.000 0.636 264 A CB -0.473 18.566 19.000 0.065 0.000 0.815 264 A HN 0.307 nan 8.150 nan 0.000 0.449 265 A N -0.102 122.767 122.820 0.080 0.000 2.019 265 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 265 A C 1.600 179.214 177.584 0.051 0.000 1.164 265 A CA 1.734 53.861 52.037 0.151 0.000 0.644 265 A CB -0.560 18.517 19.000 0.129 0.000 0.805 265 A HN 0.477 nan 8.150 nan 0.000 0.449 266 D N -0.193 120.194 120.400 -0.022 0.000 2.190 266 D HA -0.205 4.435 4.640 -0.001 0.000 0.200 266 D C 1.735 177.934 176.300 -0.168 0.000 0.992 266 D CA 1.454 55.417 54.000 -0.061 0.000 0.854 266 D CB -0.382 40.392 40.800 -0.044 0.000 0.936 266 D HN 0.781 nan 8.370 nan 0.000 0.462 267 E N -0.439 119.555 120.200 -0.344 0.000 2.130 267 E HA -0.201 4.149 4.350 -0.001 0.000 0.196 267 E C 1.123 177.297 176.600 -0.710 0.000 0.998 267 E CA 0.984 57.009 56.400 -0.625 0.000 0.806 267 E CB -0.143 28.950 29.700 -1.011 0.000 0.738 267 E HN 0.352 nan 8.360 nan 0.000 0.459 268 F N -0.634 119.239 119.950 -0.129 0.000 2.727 268 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 268 F C 1.083 176.782 175.800 -0.168 0.000 1.097 268 F CA -0.225 57.633 58.000 -0.236 0.000 1.330 268 F CB 0.572 39.439 39.000 -0.222 0.000 1.084 268 F HN -0.078 nan 8.300 nan 0.000 0.578 269 D N -0.022 120.375 120.400 -0.005 0.000 2.559 269 D HA 0.227 4.867 4.640 -0.001 0.000 0.234 269 D C 1.365 177.655 176.300 -0.017 0.000 1.226 269 D CA 0.367 54.370 54.000 0.004 0.000 0.830 269 D CB -0.086 40.729 40.800 0.025 0.000 1.028 269 D HN 0.226 nan 8.370 nan 0.000 0.492 270 G N 1.080 109.850 108.800 -0.049 0.000 2.176 270 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.252 270 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.252 270 G C 0.030 174.918 174.900 -0.019 0.000 1.024 270 G CA -0.075 45.007 45.100 -0.030 0.000 0.755 270 G HN 0.429 nan 8.290 nan 0.000 0.507 271 E N -0.165 120.011 120.200 -0.041 0.000 2.109 271 E HA 0.461 4.810 4.350 -0.001 0.000 0.278 271 E C 0.546 177.130 176.600 -0.028 0.000 0.954 271 E CA -0.657 55.731 56.400 -0.021 0.000 0.779 271 E CB 1.057 30.746 29.700 -0.018 0.000 1.093 271 E HN 0.417 nan 8.360 nan 0.000 0.401 272 I N 2.678 123.249 120.570 0.001 0.000 2.352 272 I HA 0.168 4.338 4.170 -0.001 0.000 0.290 272 I C 0.561 176.709 176.117 0.051 0.000 1.036 272 I CA -0.527 60.780 61.300 0.011 0.000 1.336 272 I CB 1.086 39.091 38.000 0.007 0.000 1.407 272 I HN 0.492 nan 8.210 nan 0.000 0.497 273 A N 7.511 130.358 122.820 0.046 0.000 2.522 273 A HA 0.033 4.353 4.320 -0.001 0.000 0.256 273 A C -0.579 177.106 177.584 0.168 0.000 1.086 273 A CA 0.279 52.364 52.037 0.081 0.000 0.763 273 A CB -0.325 18.704 19.000 0.049 0.000 1.024 273 A HN 0.785 nan 8.150 nan 0.000 0.502 274 Y N 3.964 124.274 120.300 0.016 0.000 2.749 274 Y HA 0.461 5.011 4.550 -0.001 0.000 0.343 274 Y C 1.014 176.929 175.900 0.026 0.000 1.015 274 Y CA -0.051 58.064 58.100 0.025 0.000 1.270 274 Y CB 0.115 38.590 38.460 0.024 0.000 1.097 274 Y HN 1.357 nan 8.280 nan 0.000 0.571 275 G N 2.291 111.141 108.800 0.084 0.000 2.591 275 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.298 275 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.298 275 G C 0.714 175.606 174.900 -0.012 0.000 1.195 275 G CA 0.493 45.580 45.100 -0.022 0.000 0.989 275 G HN 0.561 nan 8.290 nan 0.000 0.551 276 S N 0.817 116.487 115.700 -0.051 0.000 2.577 276 S HA 0.427 4.897 4.470 -0.001 0.000 0.219 276 S C 1.219 175.802 174.600 -0.029 0.000 0.962 276 S CA 0.790 58.972 58.200 -0.030 0.000 0.921 276 S CB -0.465 62.715 63.200 -0.032 0.000 0.789 276 S HN 0.782 nan 8.310 nan 0.000 0.497 277 I N -0.999 119.545 120.570 -0.043 0.000 3.786 277 I HA 0.745 4.914 4.170 -0.001 0.000 0.267 277 I C -0.154 176.008 176.117 0.074 0.000 1.209 277 I CA -0.996 60.300 61.300 -0.007 0.000 1.157 277 I CB 1.287 39.260 38.000 -0.045 0.000 1.399 277 I HN -0.010 nan 8.210 nan 0.000 0.502 278 T N -1.098 113.528 114.554 0.119 0.000 2.883 278 T HA 0.694 5.043 4.350 -0.001 0.000 0.301 278 T C -0.805 174.002 174.700 0.178 0.000 1.158 278 T CA -0.622 61.566 62.100 0.147 0.000 1.007 278 T CB 1.758 70.669 68.868 0.072 0.000 1.186 278 T HN 0.523 nan 8.240 nan 0.000 0.499 279 I N 1.697 122.338 120.570 0.118 0.000 2.474 279 I HA 0.542 4.711 4.170 -0.001 0.000 0.294 279 I C 0.151 176.290 176.117 0.036 0.000 1.005 279 I CA -0.879 60.450 61.300 0.048 0.000 1.113 279 I CB 2.134 40.104 38.000 -0.051 0.000 1.289 279 I HN 0.775 nan 8.210 nan 0.000 0.436 280 S N 4.470 120.190 115.700 0.033 0.000 2.462 280 S HA 0.233 4.703 4.470 -0.001 0.000 0.294 280 S C 0.584 175.218 174.600 0.058 0.000 1.144 280 S CA -0.604 57.618 58.200 0.036 0.000 1.088 280 S CB 1.293 64.511 63.200 0.031 0.000 1.009 280 S HN 0.592 nan 8.310 nan 0.000 0.484 281 Q N 2.640 122.483 119.800 0.072 0.000 2.482 281 Q HA 0.091 4.430 4.340 -0.001 0.000 0.209 281 Q C 0.043 176.134 176.000 0.152 0.000 0.961 281 Q CA 0.505 56.383 55.803 0.124 0.000 0.945 281 Q CB 0.061 28.855 28.738 0.093 0.000 1.012 281 Q HN 0.580 nan 8.270 nan 0.000 0.515 282 R N 0.543 121.107 120.500 0.106 0.000 2.298 282 R HA 0.276 4.615 4.340 -0.001 0.000 0.310 282 R C -0.370 175.998 176.300 0.113 0.000 1.068 282 R CA -0.164 56.001 56.100 0.108 0.000 0.957 282 R CB 1.317 31.660 30.300 0.072 0.000 1.003 282 R HN -0.092 nan 8.270 nan 0.000 0.454 283 V N 4.200 124.208 119.914 0.155 0.000 2.617 283 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 283 V C 0.130 176.295 176.094 0.120 0.000 1.048 283 V CA -0.836 61.556 62.300 0.153 0.000 0.964 283 V CB 1.423 33.417 31.823 0.284 0.000 1.004 283 V HN 0.675 nan 8.190 nan 0.000 0.466 284 R N 4.720 125.268 120.500 0.080 0.000 2.734 284 R HA 0.285 4.625 4.340 -0.001 0.000 0.266 284 R C -0.542 175.896 176.300 0.229 0.000 1.044 284 R CA 0.134 56.288 56.100 0.090 0.000 1.128 284 R CB -0.022 30.244 30.300 -0.058 0.000 1.010 284 R HN 0.617 nan 8.270 nan 0.000 0.461 285 I N 1.952 122.687 120.570 0.275 0.000 2.371 285 I HA 0.236 4.406 4.170 -0.001 0.000 0.282 285 I C 0.385 176.701 176.117 0.331 0.000 1.031 285 I CA -0.638 60.821 61.300 0.264 0.000 1.180 285 I CB 1.486 39.587 38.000 0.167 0.000 1.336 285 I HN 0.494 nan 8.210 nan 0.000 0.467 286 A N 4.272 127.258 122.820 0.277 0.000 2.425 286 A HA 0.335 4.654 4.320 -0.001 0.000 0.249 286 A C 0.606 178.178 177.584 -0.020 0.000 1.084 286 A CA -0.128 51.904 52.037 -0.010 0.000 0.781 286 A CB -0.007 19.011 19.000 0.030 0.000 1.019 286 A HN 0.660 nan 8.150 nan 0.000 0.490 287 T N 5.080 119.571 114.554 -0.104 0.000 2.750 287 T HA 0.189 4.539 4.350 -0.001 0.000 0.277 287 T C -2.245 172.425 174.700 -0.050 0.000 0.996 287 T CA 0.281 62.345 62.100 -0.060 0.000 1.195 287 T CB -0.491 68.323 68.868 -0.089 0.000 0.963 287 T HN 0.467 nan 8.240 nan 0.000 0.516 288 P HA 0.224 nan 4.420 nan 0.000 0.265 288 P C 1.117 178.372 177.300 -0.075 0.000 1.193 288 P CA 0.606 63.681 63.100 -0.042 0.000 0.765 288 P CB 0.351 32.034 31.700 -0.029 0.000 0.823 289 G N 2.303 111.047 108.800 -0.092 0.000 2.212 289 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.266 289 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.266 289 G C 0.391 175.192 174.900 -0.164 0.000 0.978 289 G CA -0.051 44.978 45.100 -0.119 0.000 0.632 289 G HN 0.709 nan 8.290 nan 0.000 0.537 290 R N 1.263 121.649 120.500 -0.190 0.000 2.202 290 R HA 0.475 4.815 4.340 -0.001 0.000 0.334 290 R C -0.962 175.053 176.300 -0.475 0.000 1.036 290 R CA -0.361 55.541 56.100 -0.331 0.000 0.878 290 R CB 0.325 30.431 30.300 -0.323 0.000 1.067 290 R HN 0.226 nan 8.270 nan 0.000 0.457 291 D N 3.533 123.604 120.400 -0.549 0.000 2.414 291 D HA 0.381 5.021 4.640 -0.001 0.000 0.241 291 D C -0.646 175.209 176.300 -0.742 0.000 1.008 291 D CA -0.217 53.482 54.000 -0.501 0.000 1.001 291 D CB 1.375 42.040 40.800 -0.226 0.000 1.277 291 D HN 0.276 nan 8.370 nan 0.000 0.538 292 F N -0.718 119.187 119.950 -0.074 0.000 2.611 292 F HA 0.363 4.890 4.527 -0.001 0.000 0.324 292 F C 0.905 176.649 175.800 -0.094 0.000 1.061 292 F CA -0.989 56.964 58.000 -0.077 0.000 0.954 292 F CB 1.162 40.124 39.000 -0.063 0.000 1.301 292 F HN 0.194 nan 8.300 nan 0.000 0.482 293 M N 0.017 119.661 119.600 0.074 0.000 2.537 293 M HA -0.200 4.279 4.480 -0.001 0.000 0.205 293 M C 0.673 176.997 176.300 0.040 0.000 0.450 293 M CA 0.896 56.226 55.300 0.051 0.000 0.553 293 M CB -1.684 30.974 32.600 0.096 0.000 2.046 293 M HN 0.792 nan 8.290 nan 0.000 0.797 294 T N -4.258 110.286 114.554 -0.016 0.000 3.081 294 T HA 0.097 4.447 4.350 -0.001 0.000 0.250 294 T C 0.375 175.046 174.700 -0.049 0.000 1.100 294 T CA 0.285 62.354 62.100 -0.051 0.000 1.038 294 T CB 0.445 69.267 68.868 -0.077 0.000 0.962 294 T HN 0.587 nan 8.240 nan 0.000 0.516 295 D N 0.701 121.091 120.400 -0.017 0.000 2.193 295 D HA 0.167 4.807 4.640 -0.001 0.000 0.244 295 D C 0.867 177.195 176.300 0.047 0.000 1.064 295 D CA -0.560 53.440 54.000 -0.002 0.000 0.845 295 D CB 2.005 42.808 40.800 0.005 0.000 1.148 295 D HN 0.016 nan 8.370 nan 0.000 0.464 296 L N 5.226 126.472 121.223 0.039 0.000 2.083 296 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 296 L C 2.185 179.159 176.870 0.174 0.000 1.083 296 L CA 1.809 56.708 54.840 0.098 0.000 0.752 296 L CB -0.245 41.850 42.059 0.060 0.000 0.899 296 L HN 0.433 nan 8.230 nan 0.000 0.433 297 K N -1.491 118.980 120.400 0.118 0.000 2.057 297 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 297 K C 1.914 178.582 176.600 0.113 0.000 1.050 297 K CA 1.502 57.862 56.287 0.122 0.000 0.935 297 K CB -0.192 32.367 32.500 0.100 0.000 0.715 297 K HN 0.208 nan 8.250 nan 0.000 0.439 298 V N 1.064 121.023 119.914 0.075 0.000 2.295 298 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 298 V C 1.927 178.010 176.094 -0.019 0.000 1.049 298 V CA 1.755 64.053 62.300 -0.003 0.000 1.024 298 V CB -0.534 31.237 31.823 -0.087 0.000 0.648 298 V HN 0.262 nan 8.190 nan 0.000 0.447 299 F N 0.664 120.560 119.950 -0.089 0.000 2.091 299 F HA -0.249 4.278 4.527 -0.001 0.000 0.299 299 F C 2.068 177.827 175.800 -0.067 0.000 1.103 299 F CA 1.936 59.883 58.000 -0.088 0.000 1.228 299 F CB -0.306 38.654 39.000 -0.066 0.000 0.984 299 F HN 0.035 nan 8.300 nan 0.000 0.477 300 L N 0.008 121.240 121.223 0.016 0.000 2.083 300 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 300 L C 2.174 179.014 176.870 -0.050 0.000 1.083 300 L CA 1.316 56.116 54.840 -0.068 0.000 0.752 300 L CB -0.871 41.272 42.059 0.140 0.000 0.899 300 L HN 0.133 nan 8.230 nan 0.000 0.433 301 D N -0.238 120.180 120.400 0.029 0.000 2.117 301 D HA -0.152 4.488 4.640 -0.001 0.000 0.197 301 D C 2.341 178.604 176.300 -0.061 0.000 0.987 301 D CA 1.132 55.178 54.000 0.076 0.000 0.829 301 D CB -0.207 40.594 40.800 0.003 0.000 0.961 301 D HN 0.090 nan 8.370 nan 0.000 0.460 302 V N 1.340 121.168 119.914 -0.144 0.000 2.332 302 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 302 V C 2.446 178.450 176.094 -0.150 0.000 1.055 302 V CA 1.430 63.646 62.300 -0.141 0.000 1.038 302 V CB -0.438 31.258 31.823 -0.211 0.000 0.651 302 V HN 0.150 nan 8.190 nan 0.000 0.450 303 Q N -0.224 119.358 119.800 -0.363 0.000 2.181 303 Q HA -0.178 4.161 4.340 -0.001 0.000 0.205 303 Q C 1.517 177.475 176.000 -0.070 0.000 0.980 303 Q CA 1.306 56.849 55.803 -0.434 0.000 0.862 303 Q CB -0.522 27.694 28.738 -0.872 0.000 0.905 303 Q HN 0.612 nan 8.270 nan 0.000 0.429 304 D N -0.894 119.569 120.400 0.106 0.000 2.336 304 D HA 0.307 4.947 4.640 -0.001 0.000 0.228 304 D C 0.253 176.777 176.300 0.373 0.000 1.120 304 D CA 0.550 54.738 54.000 0.313 0.000 0.839 304 D CB 0.297 41.334 40.800 0.395 0.000 0.932 304 D HN 0.174 nan 8.370 nan 0.000 0.509 305 A N -0.567 122.431 122.820 0.297 0.000 3.294 305 A HA -0.134 4.185 4.320 -0.001 0.000 0.242 305 A C 1.006 178.607 177.584 0.027 0.000 1.282 305 A CA 0.527 52.707 52.037 0.238 0.000 1.197 305 A CB -2.023 17.057 19.000 0.133 0.000 1.145 305 A HN 0.444 nan 8.150 nan 0.000 0.898 306 A N 0.494 123.217 122.820 -0.161 0.000 2.491 306 A HA 0.435 4.755 4.320 -0.001 0.000 0.261 306 A C 0.291 177.680 177.584 -0.326 0.000 1.101 306 A CA 0.818 52.465 52.037 -0.650 0.000 0.772 306 A CB -0.016 18.270 19.000 -1.191 0.000 1.043 306 A HN 0.667 nan 8.150 nan 0.000 0.501 307 D N 2.762 122.950 120.400 -0.354 0.000 2.453 307 D HA 0.252 4.892 4.640 -0.001 0.000 0.223 307 D C -0.156 175.972 176.300 -0.286 0.000 1.183 307 D CA -0.072 53.783 54.000 -0.241 0.000 0.933 307 D CB -0.390 40.285 40.800 -0.208 0.000 1.038 307 D HN 0.417 nan 8.370 nan 0.000 0.513 308 F N 1.747 121.563 119.950 -0.223 0.000 2.765 308 F HA 0.208 4.735 4.527 -0.000 0.000 0.302 308 F C 1.182 176.932 175.800 -0.084 0.000 1.111 308 F CA -0.338 57.527 58.000 -0.225 0.000 1.359 308 F CB 0.163 38.997 39.000 -0.277 0.000 1.097 308 F HN -0.026 nan 8.300 nan 0.000 0.577 309 R N 0.189 120.741 120.500 0.086 0.000 2.523 309 R HA 0.225 4.564 4.340 -0.001 0.000 0.281 309 R C 1.336 177.707 176.300 0.119 0.000 0.969 309 R CA 1.269 57.429 56.100 0.100 0.000 1.093 309 R CB -0.375 29.957 30.300 0.054 0.000 0.917 309 R HN 0.386 nan 8.270 nan 0.000 0.408 310 G N 1.955 110.856 108.800 0.169 0.000 2.175 310 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.244 310 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.244 310 G C 0.374 175.415 174.900 0.235 0.000 0.982 310 G CA 0.005 45.205 45.100 0.166 0.000 0.641 310 G HN 0.594 nan 8.290 nan 0.000 0.527 311 F N 1.620 121.618 119.950 0.080 0.000 2.661 311 F HA 0.382 4.909 4.527 -0.001 0.000 0.298 311 F C 1.347 177.206 175.800 0.098 0.000 1.137 311 F CA 0.450 58.508 58.000 0.097 0.000 1.454 311 F CB 0.162 39.261 39.000 0.166 0.000 1.103 311 F HN 0.264 nan 8.300 nan 0.000 0.577 312 E N 0.213 120.460 120.200 0.079 0.000 2.418 312 E HA 0.155 4.505 4.350 -0.001 0.000 0.261 312 E C 0.311 176.869 176.600 -0.070 0.000 1.070 312 E CA 0.151 56.550 56.400 -0.002 0.000 0.931 312 E CB 0.423 30.109 29.700 -0.023 0.000 0.954 312 E HN 0.207 nan 8.360 nan 0.000 0.439 313 S N 0.998 116.589 115.700 -0.181 0.000 2.638 313 S HA 0.691 5.161 4.470 -0.001 0.000 0.298 313 S C -1.020 173.338 174.600 -0.403 0.000 1.111 313 S CA -0.817 57.295 58.200 -0.147 0.000 1.027 313 S CB 0.673 63.818 63.200 -0.091 0.000 1.064 313 S HN 0.389 nan 8.310 nan 0.000 0.525 314 Y N -0.622 119.703 120.300 0.042 0.000 2.581 314 Y HA 0.498 5.047 4.550 -0.001 0.000 0.345 314 Y C 0.203 176.121 175.900 0.029 0.000 1.036 314 Y CA -1.111 57.018 58.100 0.049 0.000 1.042 314 Y CB 1.247 39.734 38.460 0.045 0.000 1.289 314 Y HN 0.590 nan 8.280 nan 0.000 0.471 315 E N 1.864 122.175 120.200 0.184 0.000 2.318 315 E HA 0.335 4.684 4.350 -0.001 0.000 0.265 315 E C -2.482 174.183 176.600 0.109 0.000 1.069 315 E CA -1.923 54.544 56.400 0.113 0.000 0.893 315 E CB 0.322 30.072 29.700 0.083 0.000 1.076 315 E HN 0.313 nan 8.360 nan 0.000 0.414 316 P HA 0.213 nan 4.420 nan 0.000 0.269 316 P C 0.326 177.654 177.300 0.047 0.000 1.209 316 P CA 0.422 63.551 63.100 0.048 0.000 0.776 316 P CB 0.474 32.194 31.700 0.033 0.000 0.876 317 G N 0.332 109.152 108.800 0.033 0.000 2.545 317 G HA2 0.359 4.319 3.960 -0.001 0.000 0.216 317 G HA3 0.359 4.319 3.960 -0.001 0.000 0.216 317 G C -1.141 173.782 174.900 0.039 0.000 1.314 317 G CA -0.181 44.938 45.100 0.032 0.000 0.906 317 G HN 0.859 nan 8.290 nan 0.000 0.563 318 A N -0.485 122.364 122.820 0.048 0.000 2.594 318 A HA 0.976 5.296 4.320 -0.001 0.000 0.296 318 A C -0.332 177.295 177.584 0.071 0.000 1.061 318 A CA 0.621 52.694 52.037 0.060 0.000 0.689 318 A CB 1.487 20.511 19.000 0.040 0.000 1.280 318 A HN 2.124 nan 8.150 nan 0.000 0.406 319 R N 1.144 121.700 120.500 0.093 0.000 2.739 319 R HA 0.736 5.075 4.340 -0.001 0.000 0.271 319 R C -1.445 174.924 176.300 0.116 0.000 1.010 319 R CA -0.964 55.193 56.100 0.095 0.000 0.897 319 R CB 0.867 31.223 30.300 0.093 0.000 1.236 319 R HN 0.517 nan 8.270 nan 0.000 0.466 320 L N 2.311 123.596 121.223 0.103 0.000 2.490 320 L HA 0.159 4.499 4.340 -0.001 0.000 0.274 320 L C 0.645 177.597 176.870 0.136 0.000 1.201 320 L CA -0.225 54.682 54.840 0.111 0.000 0.869 320 L CB 0.109 42.218 42.059 0.082 0.000 1.123 320 L HN 0.507 nan 8.230 nan 0.000 0.484 321 I N 3.601 124.264 120.570 0.156 0.000 3.045 321 I HA -0.223 3.946 4.170 -0.001 0.000 0.306 321 I C 1.367 177.611 176.117 0.212 0.000 1.232 321 I CA 0.840 62.256 61.300 0.194 0.000 1.415 321 I CB -0.018 38.068 38.000 0.143 0.000 1.364 321 I HN 0.717 nan 8.210 nan 0.000 0.538 322 R N 4.062 124.700 120.500 0.230 0.000 2.215 322 R HA 0.094 4.434 4.340 -0.001 0.000 0.190 322 R C 0.626 177.041 176.300 0.191 0.000 0.968 322 R CA 0.758 56.979 56.100 0.202 0.000 1.122 322 R CB 0.493 30.871 30.300 0.130 0.000 1.151 322 R HN 0.784 nan 8.270 nan 0.000 0.582 323 T N -2.661 111.965 114.554 0.120 0.000 2.938 323 T HA 0.342 4.691 4.350 -0.001 0.000 0.285 323 T C 1.397 176.006 174.700 -0.151 0.000 1.028 323 T CA -0.800 61.247 62.100 -0.088 0.000 1.005 323 T CB 1.321 70.161 68.868 -0.047 0.000 1.157 323 T HN 0.030 nan 8.240 nan 0.000 0.550 324 I N 0.200 120.525 120.570 -0.408 0.000 2.163 324 I HA -0.159 4.010 4.170 -0.001 0.000 0.243 324 I C 3.087 179.216 176.117 0.020 0.000 1.085 324 I CA 1.428 62.586 61.300 -0.238 0.000 1.347 324 I CB -0.370 37.491 38.000 -0.232 0.000 1.044 324 I HN 0.729 nan 8.210 nan 0.000 0.408 325 R N 0.997 121.496 120.500 -0.001 0.000 2.103 325 R HA -0.237 4.103 4.340 -0.001 0.000 0.242 325 R C 1.859 178.256 176.300 0.161 0.000 1.142 325 R CA 2.222 58.357 56.100 0.058 0.000 0.960 325 R CB -0.243 30.078 30.300 0.034 0.000 0.858 325 R HN 0.344 nan 8.270 nan 0.000 0.439 326 D N 0.389 120.902 120.400 0.188 0.000 2.182 326 D HA -0.178 4.462 4.640 -0.001 0.000 0.201 326 D C 1.770 178.275 176.300 0.342 0.000 0.986 326 D CA 0.818 54.978 54.000 0.268 0.000 0.847 326 D CB -0.171 40.785 40.800 0.260 0.000 0.942 326 D HN 0.191 nan 8.370 nan 0.000 0.467 327 L N 0.777 122.205 121.223 0.342 0.000 2.093 327 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 327 L C 2.120 179.189 176.870 0.333 0.000 1.085 327 L CA 1.354 56.394 54.840 0.333 0.000 0.755 327 L CB -0.752 41.508 42.059 0.335 0.000 0.904 327 L HN -0.041 nan 8.230 nan 0.000 0.435 328 A N -1.695 121.285 122.820 0.266 0.000 1.898 328 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 328 A C 2.242 180.084 177.584 0.430 0.000 1.181 328 A CA 2.141 54.333 52.037 0.258 0.000 0.620 328 A CB -1.112 17.927 19.000 0.065 0.000 0.819 328 A HN 0.473 nan 8.150 nan 0.000 0.442 329 T N -1.648 113.152 114.554 0.410 0.000 2.684 329 T HA -0.232 4.118 4.350 -0.001 0.000 0.267 329 T C 1.476 176.406 174.700 0.383 0.000 1.036 329 T CA 1.527 63.883 62.100 0.426 0.000 1.148 329 T CB -0.393 68.723 68.868 0.413 0.000 0.863 329 T HN 0.698 nan 8.240 nan 0.000 0.436 330 W N 1.951 123.387 121.300 0.226 0.000 2.304 330 W HA -0.225 4.435 4.660 -0.000 0.000 0.315 330 W C 2.147 178.768 176.519 0.171 0.000 1.233 330 W CA 1.674 59.128 57.345 0.182 0.000 1.261 330 W CB -0.208 29.340 29.460 0.148 0.000 1.150 330 W HN 0.178 nan 8.180 nan 0.000 0.494 331 V N -2.960 117.272 119.914 0.530 0.000 3.649 331 V HA 0.012 4.132 4.120 -0.001 0.000 0.275 331 V C 1.741 177.929 176.094 0.156 0.000 1.281 331 V CA 1.685 64.212 62.300 0.379 0.000 1.143 331 V CB -0.995 30.971 31.823 0.238 0.000 0.892 331 V HN 0.388 nan 8.190 nan 0.000 0.441 332 H N -0.190 118.793 119.070 -0.145 0.000 2.428 332 H HA 0.072 4.628 4.556 -0.001 0.000 0.296 332 H C 1.338 176.174 175.328 -0.821 0.000 1.062 332 H CA 1.947 57.493 56.048 -0.837 0.000 1.350 332 H CB 0.196 29.068 29.762 -1.483 0.000 1.403 332 H HN 0.579 nan 8.280 nan 0.000 0.533 333 F N 0.398 120.314 119.950 -0.055 0.000 2.856 333 F HA 0.068 4.595 4.527 -0.001 0.000 0.338 333 F C 0.114 175.820 175.800 -0.157 0.000 1.100 333 F CA -0.838 57.062 58.000 -0.168 0.000 1.150 333 F CB 0.583 39.426 39.000 -0.260 0.000 1.101 333 F HN 0.079 nan 8.300 nan 0.000 0.548 334 D N 2.211 122.609 120.400 -0.004 0.000 2.472 334 D HA 0.010 4.649 4.640 -0.001 0.000 0.237 334 D C 0.279 176.542 176.300 -0.061 0.000 1.141 334 D CA 0.084 54.004 54.000 -0.134 0.000 0.875 334 D CB 1.522 42.268 40.800 -0.090 0.000 1.192 334 D HN 0.128 nan 8.370 nan 0.000 0.450 335 A N 3.296 126.038 122.820 -0.130 0.000 2.922 335 A HA 0.369 4.689 4.320 -0.001 0.000 0.298 335 A C 1.009 178.420 177.584 -0.288 0.000 1.588 335 A CA -0.539 51.393 52.037 -0.176 0.000 1.288 335 A CB -0.785 18.110 19.000 -0.176 0.000 1.130 335 A HN 0.664 nan 8.150 nan 0.000 0.557 336 L N 1.010 122.095 121.223 -0.230 0.000 4.155 336 L HA -0.378 3.961 4.340 -0.001 0.000 0.053 336 L C 1.191 178.027 176.870 -0.057 0.000 4.015 336 L CA 3.262 57.941 54.840 -0.268 0.000 0.957 336 L CB -1.338 40.402 42.059 -0.532 0.000 3.356 336 L HN 0.914 nan 8.230 nan 0.000 0.924 337 Y N 0.095 120.479 120.300 0.140 0.000 2.468 337 Y HA 0.447 4.997 4.550 -0.001 0.000 0.268 337 Y C 1.975 177.970 175.900 0.157 0.000 1.177 337 Y CA 0.417 58.682 58.100 0.275 0.000 1.265 337 Y CB -1.111 37.469 38.460 0.199 0.000 1.103 337 Y HN 0.655 nan 8.280 nan 0.000 0.522 338 E N 1.880 122.217 120.200 0.229 0.000 2.086 338 E HA -0.314 4.035 4.350 -0.001 0.000 0.200 338 E C 2.260 178.906 176.600 0.076 0.000 1.012 338 E CA 2.139 58.637 56.400 0.163 0.000 0.812 338 E CB -0.215 29.506 29.700 0.034 0.000 0.743 338 E HN 0.511 nan 8.360 nan 0.000 0.453 339 A N -0.206 122.544 122.820 -0.116 0.000 1.940 339 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 339 A C 1.866 179.220 177.584 -0.384 0.000 1.176 339 A CA 1.673 53.517 52.037 -0.322 0.000 0.631 339 A CB -0.836 17.730 19.000 -0.723 0.000 0.814 339 A HN 0.552 nan 8.150 nan 0.000 0.446 340 Y N -1.475 118.913 120.300 0.148 0.000 2.347 340 Y HA 0.091 4.641 4.550 -0.001 0.000 0.294 340 Y C 2.121 178.035 175.900 0.025 0.000 1.117 340 Y CA 0.373 58.514 58.100 0.068 0.000 1.184 340 Y CB -0.512 37.998 38.460 0.084 0.000 1.047 340 Y HN 0.271 nan 8.280 nan 0.000 0.546 341 L N 1.344 122.652 121.223 0.142 0.000 2.012 341 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 341 L C 1.495 178.359 176.870 -0.011 0.000 1.073 341 L CA 1.979 56.840 54.840 0.036 0.000 0.748 341 L CB -1.042 41.042 42.059 0.042 0.000 0.891 341 L HN 0.230 nan 8.230 nan 0.000 0.431 342 N N -0.568 118.123 118.700 -0.015 0.000 2.084 342 N HA -0.184 4.555 4.740 -0.001 0.000 0.190 342 N C 1.854 177.334 175.510 -0.050 0.000 1.030 342 N CA 1.124 54.152 53.050 -0.037 0.000 0.849 342 N CB -0.317 38.177 38.487 0.011 0.000 1.012 342 N HN 0.531 nan 8.380 nan 0.000 0.423 343 A N 0.873 123.648 122.820 -0.074 0.000 1.883 343 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 343 A C 2.558 179.961 177.584 -0.302 0.000 1.186 343 A CA 1.341 53.231 52.037 -0.246 0.000 0.624 343 A CB -1.327 17.477 19.000 -0.326 0.000 0.822 343 A HN 0.565 nan 8.150 nan 0.000 0.444 344 C N -0.477 118.731 119.300 -0.153 0.000 2.398 344 C HA -0.131 4.329 4.460 -0.001 0.000 0.276 344 C C 2.668 177.644 174.990 -0.023 0.000 1.222 344 C CA 1.375 60.354 59.018 -0.065 0.000 1.746 344 C CB -1.669 26.107 27.740 0.059 0.000 2.039 344 C HN 0.589 nan 8.230 nan 0.000 0.470 345 L N 0.191 121.405 121.223 -0.015 0.000 2.083 345 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 345 L C 2.438 179.313 176.870 0.009 0.000 1.083 345 L CA 1.493 56.350 54.840 0.028 0.000 0.752 345 L CB -0.519 41.553 42.059 0.021 0.000 0.899 345 L HN 0.373 nan 8.230 nan 0.000 0.433 346 I N -0.403 120.143 120.570 -0.040 0.000 2.179 346 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 346 I C 2.383 178.466 176.117 -0.057 0.000 1.088 346 I CA 1.370 62.657 61.300 -0.022 0.000 1.357 346 I CB -0.249 37.771 38.000 0.035 0.000 1.051 346 I HN 0.194 nan 8.210 nan 0.000 0.409 347 L N 0.096 121.201 121.223 -0.197 0.000 2.046 347 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 347 L C 2.533 179.361 176.870 -0.071 0.000 1.077 347 L CA 1.378 56.040 54.840 -0.297 0.000 0.747 347 L CB -0.622 40.897 42.059 -0.901 0.000 0.896 347 L HN 0.258 nan 8.230 nan 0.000 0.432 348 L N -0.300 120.968 121.223 0.075 0.000 1.994 348 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 348 L C 2.933 179.862 176.870 0.099 0.000 1.071 348 L CA 1.283 56.236 54.840 0.187 0.000 0.745 348 L CB -0.836 41.376 42.059 0.255 0.000 0.892 348 L HN 0.234 nan 8.230 nan 0.000 0.431 349 A N 0.159 123.023 122.820 0.073 0.000 1.940 349 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 349 A C 1.850 179.454 177.584 0.033 0.000 1.176 349 A CA 2.017 54.085 52.037 0.052 0.000 0.631 349 A CB -0.584 18.441 19.000 0.042 0.000 0.814 349 A HN 0.461 nan 8.150 nan 0.000 0.446 350 N N -0.724 117.991 118.700 0.025 0.000 2.461 350 N HA 0.172 4.912 4.740 -0.001 0.000 0.188 350 N C 1.102 176.627 175.510 0.025 0.000 1.134 350 N CA 0.983 54.048 53.050 0.026 0.000 0.878 350 N CB 0.024 38.532 38.487 0.035 0.000 0.972 350 N HN 0.639 nan 8.380 nan 0.000 0.456 351 G N -0.047 108.764 108.800 0.019 0.000 2.179 351 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 351 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 351 G C 0.018 174.909 174.900 -0.015 0.000 1.010 351 G CA 0.271 45.370 45.100 -0.003 0.000 0.736 351 G HN 0.208 nan 8.290 nan 0.000 0.513 352 V N 1.615 121.532 119.914 0.005 0.000 2.540 352 V HA 0.220 4.339 4.120 -0.001 0.000 0.297 352 V C -0.884 175.231 176.094 0.035 0.000 1.024 352 V CA -0.518 61.801 62.300 0.031 0.000 1.105 352 V CB 0.687 32.512 31.823 0.002 0.000 0.938 352 V HN 0.252 nan 8.190 nan 0.000 0.482 353 P HA 0.198 nan 4.420 nan 0.000 0.272 353 P C -0.293 177.019 177.300 0.021 0.000 1.223 353 P CA -0.209 62.852 63.100 -0.066 0.000 0.784 353 P CB 0.363 32.066 31.700 0.005 0.000 0.923 354 F N -0.076 119.937 119.950 0.104 0.000 2.440 354 F HA 0.040 4.566 4.527 -0.001 0.000 0.323 354 F C 1.610 177.372 175.800 -0.063 0.000 1.192 354 F CA -0.473 57.508 58.000 -0.031 0.000 1.252 354 F CB 0.155 39.086 39.000 -0.115 0.000 1.214 354 F HN 0.275 nan 8.300 nan 0.000 0.578 355 D N 3.467 123.915 120.400 0.080 0.000 2.662 355 D HA -0.072 4.568 4.640 -0.001 0.000 0.237 355 D C -1.422 174.786 176.300 -0.153 0.000 1.154 355 D CA -1.022 52.944 54.000 -0.057 0.000 0.861 355 D CB 0.845 41.554 40.800 -0.152 0.000 1.146 355 D HN 0.147 nan 8.370 nan 0.000 0.518 356 P HA -0.041 nan 4.420 nan 0.000 0.242 356 P C 0.347 177.494 177.300 -0.256 0.000 1.197 356 P CA 0.338 63.354 63.100 -0.140 0.000 0.765 356 P CB 0.376 32.033 31.700 -0.072 0.000 0.936 357 N N -0.279 118.176 118.700 -0.408 0.000 2.336 357 N HA 0.099 4.839 4.740 -0.001 0.000 0.189 357 N C 0.828 175.917 175.510 -0.701 0.000 1.113 357 N CA 0.141 52.794 53.050 -0.662 0.000 0.858 357 N CB 0.328 38.055 38.487 -1.266 0.000 0.970 357 N HN 0.285 nan 8.380 nan 0.000 0.471 358 L N 1.569 122.410 121.223 -0.635 0.000 2.466 358 L HA 0.288 4.628 4.340 -0.001 0.000 0.257 358 L C -1.983 174.446 176.870 -0.736 0.000 1.189 358 L CA -1.537 52.818 54.840 -0.808 0.000 0.813 358 L CB 0.128 41.681 42.059 -0.843 0.000 1.118 358 L HN -0.176 nan 8.230 nan 0.000 0.471 359 P HA 0.244 nan 4.420 nan 0.000 0.276 359 P C -0.398 176.535 177.300 -0.611 0.000 1.252 359 P CA -0.329 62.158 63.100 -1.021 0.000 0.802 359 P CB 0.330 31.026 31.700 -1.673 0.000 1.035 360 F N -2.579 117.267 119.950 -0.174 0.000 3.006 360 F HA -0.242 4.284 4.527 -0.001 0.000 0.289 360 F C 1.323 177.109 175.800 -0.024 0.000 0.772 360 F CA 0.033 57.995 58.000 -0.063 0.000 1.162 360 F CB -1.695 37.304 39.000 -0.002 0.000 1.382 360 F HN 0.298 nan 8.300 nan 0.000 0.406 361 Q N 0.531 120.369 119.800 0.064 0.000 2.482 361 Q HA 0.059 4.399 4.340 -0.001 0.000 0.209 361 Q C 0.900 176.935 176.000 0.058 0.000 0.961 361 Q CA 0.769 56.614 55.803 0.070 0.000 0.945 361 Q CB 0.037 28.781 28.738 0.011 0.000 1.012 361 Q HN 0.629 nan 8.270 nan 0.000 0.515 362 Q N 0.592 120.427 119.800 0.058 0.000 2.396 362 Q HA 0.123 4.463 4.340 -0.001 0.000 0.221 362 Q C -0.212 175.820 176.000 0.053 0.000 1.025 362 Q CA -0.319 55.511 55.803 0.044 0.000 0.946 362 Q CB 0.661 29.422 28.738 0.039 0.000 1.224 362 Q HN 0.140 nan 8.270 nan 0.000 0.539 363 E N 0.776 120.998 120.200 0.038 0.000 2.502 363 E HA -0.140 4.210 4.350 -0.001 0.000 0.261 363 E C -0.086 176.535 176.600 0.036 0.000 0.974 363 E CA -0.181 56.239 56.400 0.034 0.000 0.936 363 E CB 0.499 30.214 29.700 0.025 0.000 0.926 363 E HN 0.451 nan 8.360 nan 0.000 0.459 364 D N 2.799 123.218 120.400 0.031 0.000 2.218 364 D HA -0.183 4.457 4.640 -0.001 0.000 0.204 364 D C 1.775 178.084 176.300 0.015 0.000 0.976 364 D CA 1.064 55.077 54.000 0.022 0.000 0.853 364 D CB 0.019 40.826 40.800 0.012 0.000 0.939 364 D HN 0.503 nan 8.370 nan 0.000 0.481 365 K N 0.751 121.160 120.400 0.015 0.000 2.211 365 K HA -0.122 4.198 4.320 -0.001 0.000 0.204 365 K C 1.754 178.364 176.600 0.016 0.000 1.047 365 K CA 0.967 57.262 56.287 0.013 0.000 0.935 365 K CB -0.172 32.335 32.500 0.011 0.000 0.728 365 K HN 0.204 nan 8.250 nan 0.000 0.452 366 L N 1.100 122.337 121.223 0.023 0.000 2.200 366 L HA -0.013 4.327 4.340 -0.001 0.000 0.200 366 L C 1.726 178.619 176.870 0.040 0.000 1.072 366 L CA 1.018 55.874 54.840 0.028 0.000 0.787 366 L CB -0.314 41.762 42.059 0.028 0.000 0.957 366 L HN 0.301 nan 8.230 nan 0.000 0.459 367 D N -2.582 117.851 120.400 0.054 0.000 2.360 367 D HA -0.075 4.565 4.640 -0.001 0.000 0.210 367 D C 0.383 176.707 176.300 0.039 0.000 1.047 367 D CA -0.043 54.009 54.000 0.086 0.000 0.854 367 D CB -0.325 40.579 40.800 0.173 0.000 0.936 367 D HN 0.032 nan 8.370 nan 0.000 0.514 368 N N -0.093 118.609 118.700 0.003 0.000 2.708 368 N HA -0.239 4.501 4.740 -0.001 0.000 0.249 368 N C -0.772 174.671 175.510 -0.111 0.000 1.097 368 N CA 1.059 54.086 53.050 -0.038 0.000 0.710 368 N CB -1.386 37.082 38.487 -0.032 0.000 1.032 368 N HN 0.550 nan 8.380 nan 0.000 0.551 369 Q N 0.008 119.732 119.800 -0.127 0.000 2.280 369 Q HA 0.409 4.749 4.340 -0.001 0.000 0.259 369 Q C -1.753 174.170 176.000 -0.128 0.000 0.964 369 Q CA -0.627 55.005 55.803 -0.285 0.000 0.844 369 Q CB 1.585 29.814 28.738 -0.849 0.000 1.334 369 Q HN 0.111 nan 8.270 nan 0.000 0.423 370 D N 1.097 121.447 120.400 -0.082 0.000 2.387 370 D HA 0.660 5.299 4.640 -0.001 0.000 0.255 370 D C -0.999 175.350 176.300 0.082 0.000 1.081 370 D CA -0.407 53.615 54.000 0.036 0.000 0.994 370 D CB 1.674 42.496 40.800 0.037 0.000 1.127 370 D HN 0.350 nan 8.370 nan 0.000 0.513 371 V N -0.229 119.801 119.914 0.193 0.000 2.823 371 V HA 0.760 4.880 4.120 -0.001 0.000 0.312 371 V C -0.604 175.680 176.094 0.316 0.000 1.072 371 V CA -0.571 61.880 62.300 0.251 0.000 0.937 371 V CB 1.688 33.696 31.823 0.309 0.000 1.013 371 V HN 0.712 nan 8.190 nan 0.000 0.430 372 F N 1.706 121.682 119.950 0.044 0.000 1.814 372 F HA 0.237 4.763 4.527 -0.001 0.000 0.234 372 F C 1.416 177.191 175.800 -0.042 0.000 1.260 372 F CA 1.463 59.474 58.000 0.020 0.000 1.272 372 F CB -0.139 38.870 39.000 0.016 0.000 2.003 372 F HN 0.283 nan 8.300 nan 0.000 0.142 373 V N 1.847 121.697 119.914 -0.106 0.000 2.231 373 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 373 V C 0.314 176.159 176.094 -0.415 0.000 1.054 373 V CA 1.916 64.052 62.300 -0.273 0.000 1.015 373 V CB -0.915 30.849 31.823 -0.099 0.000 0.638 373 V HN 0.367 nan 8.190 nan 0.000 0.444 374 N N -0.347 118.071 118.700 -0.470 0.000 2.430 374 N HA 0.445 5.184 4.740 -0.001 0.000 0.292 374 N C -0.040 175.048 175.510 -0.702 0.000 1.051 374 N CA -0.470 51.973 53.050 -1.012 0.000 0.917 374 N CB 1.195 38.779 38.487 -1.506 0.000 1.164 374 N HN 0.393 nan 8.380 nan 0.000 0.484 375 F N -2.108 117.968 119.950 0.209 0.000 2.914 375 F HA -0.243 4.283 4.527 -0.000 0.000 0.304 375 F C 0.958 176.638 175.800 -0.200 0.000 0.712 375 F CA 0.581 58.531 58.000 -0.085 0.000 1.211 375 F CB -1.749 37.031 39.000 -0.367 0.000 1.515 375 F HN 0.569 nan 8.300 nan 0.000 0.350 376 G N -0.116 108.657 108.800 -0.045 0.000 3.166 376 G HA2 0.479 4.439 3.960 -0.001 0.000 0.267 376 G HA3 0.479 4.439 3.960 -0.001 0.000 0.267 376 G C 0.566 175.276 174.900 -0.317 0.000 1.256 376 G CA -0.002 44.960 45.100 -0.229 0.000 0.859 376 G HN 0.311 nan 8.290 nan 0.000 0.590 377 S N -0.460 115.237 115.700 -0.005 0.000 2.368 377 S HA -0.012 4.458 4.470 -0.001 0.000 0.225 377 S C 2.539 176.969 174.600 -0.284 0.000 1.030 377 S CA 1.978 60.172 58.200 -0.010 0.000 0.999 377 S CB -0.669 62.691 63.200 0.266 0.000 0.844 377 S HN 1.220 nan 8.310 nan 0.000 0.459 378 A N 1.527 123.984 122.820 -0.605 0.000 1.933 378 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 378 A C 2.148 179.501 177.584 -0.384 0.000 1.175 378 A CA 1.711 53.360 52.037 -0.646 0.000 0.628 378 A CB -1.386 16.900 19.000 -1.190 0.000 0.814 378 A HN 0.822 nan 8.150 nan 0.000 0.444 379 H N -1.372 117.404 119.070 -0.490 0.000 2.321 379 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 379 H C 2.149 177.156 175.328 -0.536 0.000 1.087 379 H CA 1.519 57.342 56.048 -0.374 0.000 1.319 379 H CB 0.085 29.730 29.762 -0.196 0.000 1.379 379 H HN 0.274 nan 8.280 nan 0.000 0.501 380 V N 0.863 120.206 119.914 -0.952 0.000 2.548 380 V HA -0.169 3.951 4.120 -0.001 0.000 0.249 380 V C 2.305 178.104 176.094 -0.491 0.000 1.055 380 V CA 1.258 62.881 62.300 -1.128 0.000 1.065 380 V CB -0.397 30.443 31.823 -1.639 0.000 0.681 380 V HN 0.391 nan 8.190 nan 0.000 0.462 381 L N -0.384 120.636 121.223 -0.339 0.000 2.083 381 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 381 L C 2.712 179.457 176.870 -0.207 0.000 1.083 381 L CA 1.857 56.573 54.840 -0.208 0.000 0.752 381 L CB -0.601 41.378 42.059 -0.134 0.000 0.899 381 L HN 0.307 nan 8.230 nan 0.000 0.433 382 S N -0.415 115.169 115.700 -0.192 0.000 2.357 382 S HA -0.103 4.367 4.470 -0.001 0.000 0.221 382 S C 1.821 176.340 174.600 -0.134 0.000 1.031 382 S CA 0.806 58.924 58.200 -0.137 0.000 0.982 382 S CB -0.127 63.024 63.200 -0.081 0.000 0.853 382 S HN 0.159 nan 8.310 nan 0.000 0.458 383 L N 1.490 122.622 121.223 -0.151 0.000 2.046 383 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 383 L C 2.375 179.158 176.870 -0.145 0.000 1.077 383 L CA 1.425 56.182 54.840 -0.139 0.000 0.747 383 L CB -1.060 40.880 42.059 -0.199 0.000 0.896 383 L HN 0.205 nan 8.230 nan 0.000 0.432 384 V N -0.688 119.119 119.914 -0.179 0.000 2.490 384 V HA -0.283 3.837 4.120 -0.001 0.000 0.250 384 V C 2.490 178.502 176.094 -0.137 0.000 1.061 384 V CA 2.319 64.541 62.300 -0.129 0.000 1.064 384 V CB -0.445 31.321 31.823 -0.094 0.000 0.670 384 V HN 0.804 nan 8.190 nan 0.000 0.461 385 T N -1.616 112.794 114.554 -0.240 0.000 2.976 385 T HA -0.082 4.267 4.350 -0.001 0.000 0.257 385 T C 1.675 176.351 174.700 -0.040 0.000 1.051 385 T CA 0.977 62.878 62.100 -0.332 0.000 1.141 385 T CB -0.330 68.100 68.868 -0.729 0.000 0.881 385 T HN 0.783 nan 8.240 nan 0.000 0.461 386 E N 2.311 122.483 120.200 -0.046 0.000 2.274 386 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 386 E C 2.196 178.807 176.600 0.019 0.000 0.996 386 E CA 1.217 57.620 56.400 0.005 0.000 0.840 386 E CB -0.639 29.055 29.700 -0.009 0.000 0.772 386 E HN 0.552 nan 8.360 nan 0.000 0.491 387 V N -1.168 118.747 119.914 0.001 0.000 2.759 387 V HA -0.028 4.092 4.120 -0.001 0.000 0.256 387 V C 2.469 178.576 176.094 0.022 0.000 1.080 387 V CA 1.150 63.449 62.300 -0.002 0.000 1.101 387 V CB -0.616 31.187 31.823 -0.033 0.000 0.698 387 V HN 0.343 nan 8.190 nan 0.000 0.477 388 A N 2.341 125.202 122.820 0.069 0.000 1.865 388 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 388 A C 2.551 180.166 177.584 0.051 0.000 1.191 388 A CA 3.171 55.260 52.037 0.088 0.000 0.623 388 A CB -1.481 17.637 19.000 0.197 0.000 0.826 388 A HN 0.777 nan 8.150 nan 0.000 0.444 389 T N -2.267 112.320 114.554 0.055 0.000 2.867 389 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 389 T C 1.900 176.610 174.700 0.016 0.000 1.057 389 T CA 1.383 63.502 62.100 0.032 0.000 1.136 389 T CB -0.250 68.639 68.868 0.036 0.000 0.874 389 T HN 0.393 nan 8.240 nan 0.000 0.466 390 R N 1.759 122.267 120.500 0.014 0.000 2.075 390 R HA 0.317 4.656 4.340 -0.001 0.000 0.232 390 R C 2.893 179.191 176.300 -0.004 0.000 1.126 390 R CA 1.335 57.437 56.100 0.003 0.000 0.963 390 R CB -1.051 29.249 30.300 0.001 0.000 0.858 390 R HN 0.538 nan 8.270 nan 0.000 0.435 391 A N 0.589 123.406 122.820 -0.004 0.000 1.933 391 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 391 A C 2.109 179.688 177.584 -0.007 0.000 1.175 391 A CA 1.180 53.211 52.037 -0.011 0.000 0.628 391 A CB -0.572 18.419 19.000 -0.016 0.000 0.814 391 A HN 0.213 nan 8.150 nan 0.000 0.444 392 L N -0.840 120.381 121.223 -0.003 0.000 2.093 392 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 392 L C 2.576 179.448 176.870 0.003 0.000 1.085 392 L CA 1.584 56.421 54.840 -0.004 0.000 0.755 392 L CB -0.402 41.654 42.059 -0.006 0.000 0.904 392 L HN 0.372 nan 8.230 nan 0.000 0.435 393 K N 0.063 120.464 120.400 0.002 0.000 2.026 393 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 393 K C 2.263 178.877 176.600 0.023 0.000 1.048 393 K CA 1.388 57.675 56.287 0.001 0.000 0.929 393 K CB -0.293 32.194 32.500 -0.023 0.000 0.713 393 K HN 0.268 nan 8.250 nan 0.000 0.439 394 A N 0.953 123.781 122.820 0.014 0.000 1.908 394 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 394 A C 2.331 179.964 177.584 0.082 0.000 1.181 394 A CA 1.600 53.662 52.037 0.042 0.000 0.627 394 A CB -0.760 18.247 19.000 0.013 0.000 0.818 394 A HN 0.163 nan 8.150 nan 0.000 0.445 395 V N -0.270 119.664 119.914 0.034 0.000 2.548 395 V HA -0.147 3.973 4.120 -0.001 0.000 0.249 395 V C 2.598 178.717 176.094 0.041 0.000 1.055 395 V CA 1.633 63.940 62.300 0.011 0.000 1.065 395 V CB -0.705 31.098 31.823 -0.033 0.000 0.681 395 V HN 0.465 nan 8.190 nan 0.000 0.462 396 R N -0.762 119.780 120.500 0.071 0.000 2.091 396 R HA -0.195 4.144 4.340 -0.001 0.000 0.238 396 R C 2.088 178.506 176.300 0.198 0.000 1.136 396 R CA 2.104 58.292 56.100 0.148 0.000 0.959 396 R CB -1.248 29.134 30.300 0.136 0.000 0.856 396 R HN 0.671 nan 8.270 nan 0.000 0.437 397 Y N 2.323 122.641 120.300 0.030 0.000 2.081 397 Y HA -0.286 4.263 4.550 -0.001 0.000 0.280 397 Y C 2.359 178.276 175.900 0.029 0.000 1.163 397 Y CA 1.821 59.925 58.100 0.008 0.000 1.135 397 Y CB -0.218 38.221 38.460 -0.035 0.000 0.970 397 Y HN 0.038 nan 8.280 nan 0.000 0.498 398 Q N 0.549 120.349 119.800 0.000 0.000 2.050 398 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 398 Q C 2.249 178.282 176.000 0.055 0.000 0.980 398 Q CA 1.819 57.632 55.803 0.016 0.000 0.840 398 Q CB -0.441 28.350 28.738 0.088 0.000 0.898 398 Q HN 0.524 nan 8.270 nan 0.000 0.424 399 K N -0.561 119.839 120.400 -0.001 0.000 1.991 399 K HA -0.118 4.202 4.320 -0.001 0.000 0.212 399 K C 2.010 178.483 176.600 -0.213 0.000 1.049 399 K CA 1.548 57.764 56.287 -0.119 0.000 0.932 399 K CB -0.124 32.222 32.500 -0.257 0.000 0.717 399 K HN 0.100 nan 8.250 nan 0.000 0.441 400 F N -0.034 119.851 119.950 -0.108 0.000 2.343 400 F HA 0.046 4.573 4.527 -0.000 0.000 0.286 400 F C 1.751 177.395 175.800 -0.260 0.000 1.057 400 F CA 0.497 58.386 58.000 -0.185 0.000 1.365 400 F CB 0.055 38.935 39.000 -0.200 0.000 1.114 400 F HN -0.019 nan 8.300 nan 0.000 0.545 401 N N -0.067 118.564 118.700 -0.115 0.000 2.376 401 N HA -0.033 4.706 4.740 -0.001 0.000 0.177 401 N C 1.359 176.637 175.510 -0.387 0.000 1.024 401 N CA 0.846 53.724 53.050 -0.287 0.000 0.893 401 N CB 0.267 38.519 38.487 -0.393 0.000 0.980 401 N HN 0.103 nan 8.380 nan 0.000 0.439 402 I N -0.271 120.039 120.570 -0.434 0.000 3.325 402 I HA 0.007 4.176 4.170 -0.001 0.000 0.237 402 I C 1.760 177.676 176.117 -0.335 0.000 1.068 402 I CA 1.112 62.127 61.300 -0.475 0.000 1.511 402 I CB -1.230 36.352 38.000 -0.697 0.000 1.409 402 I HN 0.184 nan 8.210 nan 0.000 0.464 403 H N 1.519 120.583 119.070 -0.010 0.000 2.399 403 H HA 0.210 4.765 4.556 -0.000 0.000 0.300 403 H C 0.265 175.648 175.328 0.091 0.000 1.048 403 H CA 0.126 56.216 56.048 0.071 0.000 1.370 403 H CB 0.180 30.056 29.762 0.190 0.000 1.428 403 H HN 0.194 nan 8.280 nan 0.000 0.534 404 R N 1.344 121.952 120.500 0.181 0.000 3.225 404 R HA -0.167 4.173 4.340 -0.001 0.000 0.245 404 R C 0.212 176.671 176.300 0.265 0.000 0.928 404 R CA 0.147 56.365 56.100 0.197 0.000 0.632 404 R CB -1.295 29.180 30.300 0.292 0.000 1.038 404 R HN 0.326 nan 8.270 nan 0.000 0.461 405 R N 1.897 122.537 120.500 0.233 0.000 2.438 405 R HA 0.204 4.544 4.340 -0.001 0.000 0.287 405 R C 0.639 177.112 176.300 0.289 0.000 1.077 405 R CA -0.448 55.784 56.100 0.219 0.000 1.034 405 R CB 0.547 30.945 30.300 0.163 0.000 0.993 405 R HN 0.356 nan 8.270 nan 0.000 0.459 406 L N 2.875 124.259 121.223 0.268 0.000 2.453 406 L HA 0.308 4.648 4.340 -0.001 0.000 0.272 406 L C -0.008 177.055 176.870 0.321 0.000 1.182 406 L CA -0.659 54.348 54.840 0.278 0.000 0.858 406 L CB 0.545 42.706 42.059 0.171 0.000 1.120 406 L HN 0.511 nan 8.230 nan 0.000 0.474 407 R N 3.355 123.994 120.500 0.233 0.000 2.694 407 R HA 0.160 4.500 4.340 -0.001 0.000 0.268 407 R C -1.542 174.734 176.300 -0.041 0.000 1.061 407 R CA -1.679 54.454 56.100 0.055 0.000 1.133 407 R CB 0.147 30.448 30.300 0.002 0.000 1.020 407 R HN 0.551 nan 8.270 nan 0.000 0.475 408 P HA -0.210 nan 4.420 nan 0.000 0.217 408 P C 1.030 178.249 177.300 -0.135 0.000 1.148 408 P CA 1.429 64.299 63.100 -0.383 0.000 0.828 408 P CB 0.070 31.393 31.700 -0.629 0.000 0.783 409 E N 0.078 120.216 120.200 -0.103 0.000 2.118 409 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 409 E C 1.885 178.591 176.600 0.177 0.000 0.992 409 E CA 1.508 57.926 56.400 0.029 0.000 0.804 409 E CB -1.013 28.721 29.700 0.058 0.000 0.741 409 E HN 0.137 nan 8.360 nan 0.000 0.458 410 A N 1.301 124.196 122.820 0.125 0.000 1.898 410 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 410 A C 2.428 180.054 177.584 0.070 0.000 1.181 410 A CA 1.828 53.950 52.037 0.141 0.000 0.620 410 A CB -0.937 18.088 19.000 0.041 0.000 0.819 410 A HN 0.340 nan 8.150 nan 0.000 0.442 411 T N -0.084 114.515 114.554 0.076 0.000 2.708 411 T HA -0.075 4.275 4.350 -0.001 0.000 0.266 411 T C 1.974 176.704 174.700 0.049 0.000 1.037 411 T CA 1.529 63.669 62.100 0.067 0.000 1.146 411 T CB -0.667 68.308 68.868 0.180 0.000 0.865 411 T HN 0.591 nan 8.240 nan 0.000 0.435 412 G N 0.805 109.631 108.800 0.042 0.000 2.442 412 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.219 412 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.219 412 G C 1.677 176.545 174.900 -0.054 0.000 1.141 412 G CA 1.024 46.149 45.100 0.041 0.000 0.763 412 G HN 0.578 nan 8.290 nan 0.000 0.554 413 G N 0.662 109.371 108.800 -0.152 0.000 2.403 413 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.216 413 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.216 413 G C 1.763 176.614 174.900 -0.081 0.000 1.154 413 G CA 0.592 45.514 45.100 -0.298 0.000 0.784 413 G HN 0.429 nan 8.290 nan 0.000 0.538 414 L N -0.081 121.088 121.223 -0.089 0.000 2.109 414 L HA 0.075 4.414 4.340 -0.001 0.000 0.207 414 L C 2.791 179.709 176.870 0.081 0.000 1.086 414 L CA 0.487 55.256 54.840 -0.118 0.000 0.760 414 L CB -0.383 41.468 42.059 -0.347 0.000 0.910 414 L HN 0.168 nan 8.230 nan 0.000 0.437 415 I N -0.676 119.917 120.570 0.039 0.000 2.179 415 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 415 I C 2.880 179.018 176.117 0.036 0.000 1.088 415 I CA 1.296 62.619 61.300 0.038 0.000 1.357 415 I CB -0.238 37.797 38.000 0.059 0.000 1.051 415 I HN 0.180 nan 8.210 nan 0.000 0.409 416 S N 0.249 115.997 115.700 0.079 0.000 2.359 416 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 416 S C 2.074 176.756 174.600 0.135 0.000 1.035 416 S CA 1.619 59.910 58.200 0.151 0.000 1.018 416 S CB -0.225 63.037 63.200 0.104 0.000 0.876 416 S HN 0.230 nan 8.310 nan 0.000 0.448 417 V N 3.171 123.166 119.914 0.136 0.000 2.358 417 V HA -0.139 3.980 4.120 -0.001 0.000 0.246 417 V C 2.562 178.705 176.094 0.081 0.000 1.047 417 V CA 1.923 64.310 62.300 0.145 0.000 1.035 417 V CB -0.910 31.077 31.823 0.274 0.000 0.658 417 V HN 0.604 nan 8.190 nan 0.000 0.452 418 N N 1.004 119.775 118.700 0.118 0.000 2.058 418 N HA -0.246 4.494 4.740 -0.001 0.000 0.191 418 N C 1.979 177.464 175.510 -0.043 0.000 1.037 418 N CA 2.251 55.322 53.050 0.034 0.000 0.848 418 N CB -0.209 38.324 38.487 0.077 0.000 1.021 418 N HN 0.490 nan 8.380 nan 0.000 0.422 419 K N 0.261 120.603 120.400 -0.096 0.000 2.057 419 K HA -0.036 4.283 4.320 -0.001 0.000 0.207 419 K C 2.328 178.859 176.600 -0.115 0.000 1.049 419 K CA 1.157 57.312 56.287 -0.221 0.000 0.931 419 K CB -0.122 32.035 32.500 -0.572 0.000 0.714 419 K HN 0.217 nan 8.250 nan 0.000 0.440 420 I N 0.676 121.254 120.570 0.013 0.000 2.226 420 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 420 I C 2.374 178.509 176.117 0.031 0.000 1.100 420 I CA 1.148 62.508 61.300 0.100 0.000 1.374 420 I CB -0.260 37.836 38.000 0.160 0.000 1.057 420 I HN 0.252 nan 8.210 nan 0.000 0.413 421 A N 0.533 123.350 122.820 -0.004 0.000 1.969 421 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 421 A C 2.486 180.048 177.584 -0.037 0.000 1.169 421 A CA 1.572 53.591 52.037 -0.030 0.000 0.635 421 A CB -0.658 18.302 19.000 -0.067 0.000 0.810 421 A HN 0.420 nan 8.150 nan 0.000 0.445 422 A N -0.573 122.219 122.820 -0.046 0.000 2.015 422 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 422 A C 2.002 179.564 177.584 -0.036 0.000 1.163 422 A CA 1.348 53.355 52.037 -0.049 0.000 0.646 422 A CB -0.431 18.530 19.000 -0.066 0.000 0.806 422 A HN 0.658 nan 8.150 nan 0.000 0.448 423 Q N -0.304 119.481 119.800 -0.025 0.000 2.369 423 Q HA -0.050 4.289 4.340 -0.001 0.000 0.206 423 Q C 0.592 176.590 176.000 -0.004 0.000 0.963 423 Q CA 0.772 56.570 55.803 -0.009 0.000 0.894 423 Q CB 0.034 28.780 28.738 0.015 0.000 0.965 423 Q HN 0.453 nan 8.270 nan 0.000 0.475 424 K N -0.453 119.943 120.400 -0.007 0.000 2.437 424 K HA 0.198 4.517 4.320 -0.001 0.000 0.205 424 K C 0.758 177.348 176.600 -0.017 0.000 1.026 424 K CA 0.444 56.726 56.287 -0.009 0.000 1.153 424 K CB 0.504 33.000 32.500 -0.007 0.000 0.863 424 K HN 0.232 nan 8.250 nan 0.000 0.502 425 G N 1.807 110.594 108.800 -0.021 0.000 2.225 425 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.267 425 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.267 425 G C -0.392 174.489 174.900 -0.031 0.000 1.024 425 G CA 0.334 45.419 45.100 -0.025 0.000 0.784 425 G HN 0.454 nan 8.290 nan 0.000 0.507 426 E N -0.272 119.905 120.200 -0.039 0.000 2.212 426 E HA 0.545 4.895 4.350 -0.001 0.000 0.270 426 E C -0.321 176.241 176.600 -0.064 0.000 0.956 426 E CA -0.469 55.901 56.400 -0.051 0.000 0.825 426 E CB 1.690 31.356 29.700 -0.057 0.000 1.167 426 E HN 0.134 nan 8.360 nan 0.000 0.400 427 S N 2.656 118.313 115.700 -0.071 0.000 2.422 427 S HA 0.487 4.956 4.470 -0.001 0.000 0.308 427 S C -0.653 173.869 174.600 -0.130 0.000 1.097 427 S CA -0.488 57.663 58.200 -0.082 0.000 1.099 427 S CB -0.039 63.124 63.200 -0.061 0.000 0.976 427 S HN 0.370 nan 8.310 nan 0.000 0.471 428 I N 4.245 124.709 120.570 -0.175 0.000 2.647 428 I HA 0.424 4.593 4.170 -0.001 0.000 0.295 428 I C -0.708 175.241 176.117 -0.280 0.000 1.078 428 I CA -1.136 59.949 61.300 -0.360 0.000 1.048 428 I CB 1.572 39.268 38.000 -0.507 0.000 1.239 428 I HN 0.818 nan 8.210 nan 0.000 0.421 429 F N 4.747 124.661 119.950 -0.061 0.000 2.773 429 F HA -0.155 4.372 4.527 -0.001 0.000 0.251 429 F C -1.470 174.264 175.800 -0.110 0.000 1.020 429 F CA -0.692 57.250 58.000 -0.096 0.000 0.924 429 F CB -1.033 37.917 39.000 -0.083 0.000 0.919 429 F HN 0.451 nan 8.300 nan 0.000 0.846 430 P HA -0.177 nan 4.420 nan 0.000 0.223 430 P C 1.087 178.360 177.300 -0.045 0.000 1.144 430 P CA 1.553 64.643 63.100 -0.016 0.000 0.783 430 P CB 0.226 31.911 31.700 -0.025 0.000 0.771 431 E N 0.224 120.361 120.200 -0.105 0.000 2.219 431 E HA -0.129 4.220 4.350 -0.001 0.000 0.198 431 E C 1.673 178.199 176.600 -0.123 0.000 0.998 431 E CA 1.390 57.666 56.400 -0.207 0.000 0.818 431 E CB -0.778 28.594 29.700 -0.546 0.000 0.741 431 E HN 0.296 nan 8.360 nan 0.000 0.477 432 V N -2.185 117.687 119.914 -0.069 0.000 3.342 432 V HA 0.143 4.263 4.120 -0.001 0.000 0.322 432 V C 0.687 176.759 176.094 -0.035 0.000 1.370 432 V CA 0.046 62.318 62.300 -0.046 0.000 1.170 432 V CB 0.234 32.037 31.823 -0.033 0.000 1.101 432 V HN -0.124 nan 8.190 nan 0.000 0.442 433 D N 1.015 121.394 120.400 -0.035 0.000 2.123 433 D HA -0.159 4.481 4.640 -0.001 0.000 0.196 433 D C 1.835 178.110 176.300 -0.041 0.000 0.992 433 D CA 1.685 55.662 54.000 -0.038 0.000 0.833 433 D CB -0.003 40.777 40.800 -0.033 0.000 0.954 433 D HN 0.509 nan 8.370 nan 0.000 0.455 434 L N 0.744 121.946 121.223 -0.035 0.000 2.017 434 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 434 L C 2.143 178.991 176.870 -0.036 0.000 1.073 434 L CA 1.860 56.681 54.840 -0.031 0.000 0.745 434 L CB -0.827 41.218 42.059 -0.024 0.000 0.894 434 L HN -0.009 nan 8.230 nan 0.000 0.432 435 A N -1.082 121.716 122.820 -0.037 0.000 1.883 435 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 435 A C 2.267 179.813 177.584 -0.065 0.000 1.186 435 A CA 2.304 54.318 52.037 -0.037 0.000 0.624 435 A CB -1.240 17.748 19.000 -0.020 0.000 0.822 435 A HN 0.312 nan 8.150 nan 0.000 0.444 436 V N 0.220 120.088 119.914 -0.077 0.000 2.287 436 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 436 V C 2.636 178.664 176.094 -0.110 0.000 1.053 436 V CA 2.260 64.489 62.300 -0.119 0.000 1.027 436 V CB -0.742 31.006 31.823 -0.124 0.000 0.646 436 V HN 0.687 nan 8.190 nan 0.000 0.447 437 E N 0.056 120.208 120.200 -0.079 0.000 2.118 437 E HA -0.252 4.098 4.350 -0.001 0.000 0.195 437 E C 2.112 178.678 176.600 -0.058 0.000 0.992 437 E CA 1.651 58.012 56.400 -0.065 0.000 0.804 437 E CB 0.028 29.700 29.700 -0.048 0.000 0.741 437 E HN 0.716 nan 8.360 nan 0.000 0.458 438 E N -0.589 119.580 120.200 -0.052 0.000 2.400 438 E HA 0.070 4.420 4.350 -0.001 0.000 0.195 438 E C 1.186 177.755 176.600 -0.051 0.000 1.012 438 E CA 0.009 56.384 56.400 -0.041 0.000 0.875 438 E CB 0.397 30.083 29.700 -0.024 0.000 0.859 438 E HN 0.200 nan 8.360 nan 0.000 0.498 439 L N -0.079 121.100 121.223 -0.073 0.000 2.928 439 L HA 0.291 4.630 4.340 -0.001 0.000 0.246 439 L C 1.762 178.574 176.870 -0.096 0.000 1.239 439 L CA -0.328 54.458 54.840 -0.089 0.000 1.035 439 L CB 0.423 42.410 42.059 -0.119 0.000 1.360 439 L HN 0.138 nan 8.230 nan 0.000 0.529 440 G N 0.455 109.210 108.800 -0.075 0.000 2.476 440 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 440 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 440 G C 1.021 175.922 174.900 0.003 0.000 1.164 440 G CA 0.927 45.991 45.100 -0.060 0.000 0.768 440 G HN 0.298 nan 8.290 nan 0.000 0.560 441 D N 0.559 120.988 120.400 0.049 0.000 2.104 441 D HA -0.087 4.553 4.640 -0.001 0.000 0.194 441 D C 2.529 178.974 176.300 0.241 0.000 0.994 441 D CA 0.624 54.721 54.000 0.160 0.000 0.830 441 D CB -0.270 40.671 40.800 0.236 0.000 0.959 441 D HN 0.397 nan 8.370 nan 0.000 0.452 442 I N 0.396 121.079 120.570 0.187 0.000 2.202 442 I HA -0.212 3.958 4.170 -0.001 0.000 0.242 442 I C 2.375 178.515 176.117 0.037 0.000 1.091 442 I CA 0.621 62.029 61.300 0.182 0.000 1.368 442 I CB -0.133 37.901 38.000 0.057 0.000 1.058 442 I HN -0.020 nan 8.210 nan 0.000 0.410 443 L N 0.087 121.267 121.223 -0.072 0.000 2.079 443 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 443 L C 2.650 179.627 176.870 0.179 0.000 1.081 443 L CA 1.100 55.911 54.840 -0.047 0.000 0.752 443 L CB -0.636 41.322 42.059 -0.168 0.000 0.896 443 L HN 0.288 nan 8.230 nan 0.000 0.433 444 E N 0.757 121.037 120.200 0.134 0.000 2.051 444 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 444 E C 2.151 178.798 176.600 0.078 0.000 0.991 444 E CA 1.266 57.748 56.400 0.138 0.000 0.799 444 E CB 0.036 29.786 29.700 0.083 0.000 0.748 444 E HN 0.413 nan 8.360 nan 0.000 0.449 445 K N 0.035 120.470 120.400 0.058 0.000 2.097 445 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 445 K C 2.117 178.745 176.600 0.047 0.000 1.049 445 K CA 1.067 57.369 56.287 0.025 0.000 0.933 445 K CB -0.118 32.393 32.500 0.019 0.000 0.717 445 K HN 0.047 nan 8.250 nan 0.000 0.442 446 A N 1.626 124.504 122.820 0.097 0.000 1.877 446 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 446 A C 2.085 179.676 177.584 0.012 0.000 1.186 446 A CA 1.643 53.749 52.037 0.114 0.000 0.620 446 A CB -0.485 18.650 19.000 0.225 0.000 0.822 446 A HN 0.418 nan 8.150 nan 0.000 0.443 447 E N -0.168 120.011 120.200 -0.034 0.000 2.070 447 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 447 E C 1.877 178.378 176.600 -0.165 0.000 1.004 447 E CA 1.649 57.898 56.400 -0.252 0.000 0.805 447 E CB -0.251 29.242 29.700 -0.345 0.000 0.744 447 E HN 0.666 nan 8.360 nan 0.000 0.451 448 I N 0.316 120.833 120.570 -0.089 0.000 2.202 448 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 448 I C 2.760 178.831 176.117 -0.076 0.000 1.091 448 I CA 1.125 62.379 61.300 -0.077 0.000 1.368 448 I CB -0.366 37.601 38.000 -0.055 0.000 1.058 448 I HN 0.155 nan 8.210 nan 0.000 0.410 449 S N 1.111 116.775 115.700 -0.061 0.000 2.374 449 S HA -0.226 4.244 4.470 -0.001 0.000 0.227 449 S C 1.899 176.449 174.600 -0.082 0.000 1.037 449 S CA 2.008 60.168 58.200 -0.066 0.000 1.024 449 S CB -0.338 62.835 63.200 -0.044 0.000 0.861 449 S HN 0.403 nan 8.310 nan 0.000 0.456 450 N N 1.219 119.867 118.700 -0.088 0.000 2.142 450 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 450 N C 1.877 177.322 175.510 -0.109 0.000 1.023 450 N CA 1.061 54.049 53.050 -0.104 0.000 0.852 450 N CB -0.626 37.789 38.487 -0.119 0.000 0.998 450 N HN 0.540 nan 8.380 nan 0.000 0.424 451 R N 1.472 121.902 120.500 -0.117 0.000 2.083 451 R HA -0.074 4.266 4.340 -0.001 0.000 0.237 451 R C 1.953 178.204 176.300 -0.082 0.000 1.137 451 R CA 1.233 57.273 56.100 -0.101 0.000 0.951 451 R CB -0.020 30.219 30.300 -0.103 0.000 0.851 451 R HN 0.032 nan 8.270 nan 0.000 0.434 452 K N 0.423 120.774 120.400 -0.081 0.000 2.034 452 K HA -0.269 4.051 4.320 -0.001 0.000 0.214 452 K C 2.127 178.678 176.600 -0.082 0.000 1.051 452 K CA 2.169 58.410 56.287 -0.076 0.000 0.931 452 K CB -0.185 32.268 32.500 -0.079 0.000 0.715 452 K HN 0.187 nan 8.250 nan 0.000 0.446 453 Q N 0.993 120.735 119.800 -0.096 0.000 2.084 453 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 453 Q C 1.652 177.599 176.000 -0.089 0.000 0.978 453 Q CA 1.726 57.463 55.803 -0.111 0.000 0.844 453 Q CB -0.164 28.493 28.738 -0.135 0.000 0.898 453 Q HN 0.276 nan 8.270 nan 0.000 0.426 454 N N -0.230 118.423 118.700 -0.077 0.000 2.244 454 N HA -0.080 4.660 4.740 -0.001 0.000 0.183 454 N C 1.699 177.184 175.510 -0.042 0.000 1.016 454 N CA 1.188 54.204 53.050 -0.056 0.000 0.866 454 N CB -0.134 38.318 38.487 -0.057 0.000 0.980 454 N HN 0.355 nan 8.380 nan 0.000 0.430 455 I N 1.051 121.592 120.570 -0.048 0.000 2.179 455 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 455 I C 2.266 178.362 176.117 -0.035 0.000 1.088 455 I CA 0.957 62.234 61.300 -0.038 0.000 1.357 455 I CB -0.325 37.650 38.000 -0.041 0.000 1.051 455 I HN 0.044 nan 8.210 nan 0.000 0.409 456 A N 0.221 123.013 122.820 -0.047 0.000 1.978 456 A HA -0.240 4.079 4.320 -0.001 0.000 0.220 456 A C 1.722 179.287 177.584 -0.032 0.000 1.170 456 A CA 2.002 54.011 52.037 -0.047 0.000 0.636 456 A CB -0.536 18.422 19.000 -0.070 0.000 0.810 456 A HN 0.376 nan 8.150 nan 0.000 0.448 457 D N -1.409 118.975 120.400 -0.026 0.000 2.349 457 D HA 0.267 4.907 4.640 -0.001 0.000 0.224 457 D C 1.231 177.545 176.300 0.024 0.000 1.029 457 D CA 1.140 55.145 54.000 0.008 0.000 0.879 457 D CB 0.075 40.884 40.800 0.016 0.000 0.906 457 D HN 0.633 nan 8.370 nan 0.000 0.528 458 G N 1.384 110.189 108.800 0.008 0.000 2.141 458 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.164 458 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.164 458 G C -0.391 174.516 174.900 0.012 0.000 1.009 458 G CA -0.244 44.864 45.100 0.014 0.000 0.677 458 G HN 0.271 nan 8.290 nan 0.000 0.508 459 D N 0.280 120.682 120.400 0.002 0.000 2.453 459 D HA 0.555 5.195 4.640 -0.001 0.000 0.238 459 D C -0.742 175.553 176.300 -0.010 0.000 1.088 459 D CA -2.104 51.896 54.000 0.000 0.000 0.854 459 D CB 1.962 42.762 40.800 0.001 0.000 1.076 459 D HN 0.066 nan 8.370 nan 0.000 0.533 460 P HA 0.064 nan 4.420 nan 0.000 0.222 460 P C -0.101 177.189 177.300 -0.017 0.000 1.153 460 P CA 0.588 63.681 63.100 -0.012 0.000 0.798 460 P CB 0.519 32.214 31.700 -0.008 0.000 0.796 461 D N 0.114 120.505 120.400 -0.015 0.000 2.513 461 D HA 0.255 4.895 4.640 -0.001 0.000 0.295 461 D C -2.517 173.770 176.300 -0.022 0.000 1.202 461 D CA -2.251 51.737 54.000 -0.019 0.000 0.849 461 D CB 0.296 41.087 40.800 -0.014 0.000 1.116 461 D HN -0.004 nan 8.370 nan 0.000 0.502 462 P HA 0.250 nan 4.420 nan 0.000 0.278 462 P C -0.331 176.941 177.300 -0.046 0.000 1.238 462 P CA -0.459 62.619 63.100 -0.037 0.000 0.794 462 P CB 0.788 32.459 31.700 -0.049 0.000 0.955 463 D N 2.712 123.089 120.400 -0.039 0.000 2.472 463 D HA 0.064 4.704 4.640 -0.001 0.000 0.237 463 D C -1.879 174.366 176.300 -0.091 0.000 1.141 463 D CA -0.331 53.642 54.000 -0.046 0.000 0.875 463 D CB -0.587 40.198 40.800 -0.025 0.000 1.192 463 D HN 0.246 nan 8.370 nan 0.000 0.450 464 P HA 0.058 nan 4.420 nan 0.000 0.267 464 P C -0.638 176.479 177.300 -0.306 0.000 1.200 464 P CA 0.015 62.968 63.100 -0.245 0.000 0.772 464 P CB 0.609 32.182 31.700 -0.212 0.000 0.855 465 S N 1.594 117.000 115.700 -0.491 0.000 2.614 465 S HA 0.514 4.984 4.470 -0.001 0.000 0.275 465 S C -0.833 173.469 174.600 -0.496 0.000 1.161 465 S CA -0.566 57.421 58.200 -0.356 0.000 0.969 465 S CB 0.145 63.232 63.200 -0.188 0.000 1.059 465 S HN 0.180 nan 8.310 nan 0.000 0.482 466 F N 3.734 123.668 119.950 -0.027 0.000 2.684 466 F HA 0.429 4.955 4.527 -0.001 0.000 0.298 466 F C 0.473 176.320 175.800 0.078 0.000 1.120 466 F CA -0.461 57.543 58.000 0.006 0.000 1.332 466 F CB 0.229 39.212 39.000 -0.027 0.000 0.986 466 F HN 0.291 nan 8.300 nan 0.000 0.524 467 L N 1.016 122.296 121.223 0.095 0.000 2.473 467 L HA 0.082 4.422 4.340 -0.001 0.000 0.268 467 L C 0.134 177.038 176.870 0.057 0.000 1.215 467 L CA -0.723 54.110 54.840 -0.011 0.000 0.823 467 L CB 0.415 42.351 42.059 -0.206 0.000 1.099 467 L HN 0.042 nan 8.230 nan 0.000 0.483 468 L N 4.833 125.976 121.223 -0.133 0.000 2.385 468 L HA 0.311 4.651 4.340 -0.001 0.000 0.281 468 L C -2.217 174.514 176.870 -0.233 0.000 1.106 468 L CA -1.300 53.281 54.840 -0.431 0.000 0.856 468 L CB 0.123 41.799 42.059 -0.640 0.000 1.186 468 L HN 0.257 nan 8.230 nan 0.000 0.453 469 P HA 0.118 nan 4.420 nan 0.000 0.267 469 P C -0.623 176.593 177.300 -0.140 0.000 1.205 469 P CA 0.128 63.156 63.100 -0.120 0.000 0.765 469 P CB 0.462 32.100 31.700 -0.104 0.000 0.828 470 M N 2.395 121.948 119.600 -0.078 0.000 2.277 470 M HA 0.304 4.784 4.480 -0.001 0.000 0.350 470 M C 1.226 177.505 176.300 -0.035 0.000 1.180 470 M CA -0.546 54.694 55.300 -0.101 0.000 1.103 470 M CB 1.257 33.827 32.600 -0.050 0.000 1.577 470 M HN 0.389 nan 8.290 nan 0.000 0.459 471 A N 3.215 125.881 122.820 -0.257 0.000 2.067 471 A HA 0.176 4.496 4.320 -0.001 0.000 0.217 471 A C 0.495 178.133 177.584 0.091 0.000 1.156 471 A CA 0.747 52.679 52.037 -0.175 0.000 0.683 471 A CB -0.016 18.707 19.000 -0.462 0.000 0.808 471 A HN 0.701 nan 8.150 nan 0.000 0.455 472 F N -2.187 117.691 119.950 -0.119 0.000 2.480 472 F HA 0.521 5.048 4.527 -0.001 0.000 0.329 472 F C 1.386 176.909 175.800 -0.461 0.000 1.091 472 F CA -0.772 57.006 58.000 -0.370 0.000 0.972 472 F CB 1.857 40.536 39.000 -0.536 0.000 1.150 472 F HN 0.071 nan 8.300 nan 0.000 0.467 473 A N 1.520 123.941 122.820 -0.666 0.000 1.972 473 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 473 A C 1.928 179.375 177.584 -0.228 0.000 1.169 473 A CA 1.694 53.309 52.037 -0.704 0.000 0.635 473 A CB -0.508 18.187 19.000 -0.509 0.000 0.810 473 A HN 0.794 nan 8.150 nan 0.000 0.446 474 E N -0.102 120.079 120.200 -0.033 0.000 2.489 474 E HA 0.289 4.639 4.350 -0.001 0.000 0.193 474 E C 1.123 177.744 176.600 0.034 0.000 1.057 474 E CA 0.831 57.258 56.400 0.045 0.000 0.866 474 E CB -0.909 28.860 29.700 0.116 0.000 0.916 474 E HN 0.784 nan 8.360 nan 0.000 0.500 475 G N 2.057 110.868 108.800 0.019 0.000 2.574 475 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.286 475 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.286 475 G C 0.130 175.065 174.900 0.058 0.000 1.212 475 G CA 1.059 46.158 45.100 -0.002 0.000 0.979 475 G HN 0.843 nan 8.290 nan 0.000 0.557 476 S N 1.866 117.563 115.700 -0.006 0.000 2.585 476 S HA 0.562 5.031 4.470 -0.001 0.000 0.273 476 S C -1.768 172.860 174.600 0.046 0.000 1.339 476 S CA -0.080 58.107 58.200 -0.022 0.000 1.028 476 S CB 1.354 64.498 63.200 -0.094 0.000 0.906 476 S HN 0.669 nan 8.310 nan 0.000 0.528 477 P HA 0.050 nan 4.420 nan 0.000 0.271 477 P C -0.387 176.950 177.300 0.062 0.000 1.233 477 P CA -0.101 62.996 63.100 -0.005 0.000 0.795 477 P CB 0.126 31.645 31.700 -0.301 0.000 0.936 478 F N 1.369 121.369 119.950 0.082 0.000 2.833 478 F HA 0.155 4.682 4.527 -0.001 0.000 0.327 478 F C 0.647 176.779 175.800 0.553 0.000 1.184 478 F CA 0.422 58.636 58.000 0.355 0.000 1.328 478 F CB -1.101 38.061 39.000 0.269 0.000 1.440 478 F HN 0.307 nan 8.300 nan 0.000 0.569 479 H N -2.139 117.038 119.070 0.178 0.000 3.042 479 H HA 0.547 5.103 4.556 -0.001 0.000 0.346 479 H C -3.222 171.485 175.328 -1.035 0.000 1.294 479 H CA -2.808 52.972 56.048 -0.445 0.000 1.141 479 H CB 0.578 30.309 29.762 -0.052 0.000 1.872 479 H HN -0.196 nan 8.280 nan 0.000 0.541 480 P HA -0.000 nan 4.420 nan 0.000 0.271 480 P C 0.584 177.776 177.300 -0.179 0.000 1.238 480 P CA -0.033 62.553 63.100 -0.857 0.000 0.794 480 P CB 0.752 32.042 31.700 -0.684 0.000 0.959 481 S N -0.428 115.315 115.700 0.071 0.000 2.461 481 S HA -0.032 4.438 4.470 -0.001 0.000 0.228 481 S C 0.003 174.880 174.600 0.462 0.000 1.005 481 S CA 0.580 58.945 58.200 0.275 0.000 0.942 481 S CB -0.442 62.972 63.200 0.356 0.000 0.776 481 S HN 0.447 nan 8.310 nan 0.000 0.514 482 Y N 0.947 121.329 120.300 0.138 0.000 2.327 482 Y HA 0.594 5.144 4.550 -0.001 0.000 0.325 482 Y C 0.391 176.297 175.900 0.010 0.000 0.999 482 Y CA -0.892 57.243 58.100 0.058 0.000 1.195 482 Y CB 0.597 39.050 38.460 -0.012 0.000 1.132 482 Y HN 0.072 nan 8.280 nan 0.000 0.455 483 G N 1.578 110.166 108.800 -0.353 0.000 2.630 483 G HA2 0.335 4.294 3.960 -0.001 0.000 0.223 483 G HA3 0.335 4.294 3.960 -0.001 0.000 0.223 483 G C -0.863 173.961 174.900 -0.127 0.000 1.434 483 G CA -0.619 44.256 45.100 -0.376 0.000 1.057 483 G HN 0.542 nan 8.290 nan 0.000 0.570 484 S N -1.284 114.279 115.700 -0.228 0.000 2.454 484 S HA 0.504 4.974 4.470 -0.001 0.000 0.306 484 S C 1.402 176.007 174.600 0.008 0.000 1.100 484 S CA 0.256 58.344 58.200 -0.187 0.000 1.087 484 S CB 1.113 63.970 63.200 -0.573 0.000 1.019 484 S HN 0.889 nan 8.310 nan 0.000 0.480 485 G N 2.862 111.759 108.800 0.162 0.000 2.491 485 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 485 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 485 G C 1.064 176.018 174.900 0.089 0.000 1.180 485 G CA 1.264 46.433 45.100 0.114 0.000 0.774 485 G HN 0.889 nan 8.290 nan 0.000 0.562 486 H N 0.647 119.795 119.070 0.130 0.000 2.319 486 H HA 0.067 4.623 4.556 -0.001 0.000 0.299 486 H C 2.844 178.229 175.328 0.095 0.000 1.092 486 H CA 1.815 57.952 56.048 0.150 0.000 1.302 486 H CB -0.136 29.740 29.762 0.191 0.000 1.373 486 H HN 0.420 nan 8.280 nan 0.000 0.497 487 A N -0.191 122.702 122.820 0.121 0.000 1.970 487 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 487 A C 2.542 180.105 177.584 -0.035 0.000 1.170 487 A CA 1.164 53.209 52.037 0.013 0.000 0.645 487 A CB -0.740 18.207 19.000 -0.087 0.000 0.816 487 A HN 0.313 nan 8.150 nan 0.000 0.447 488 V N -0.292 119.598 119.914 -0.040 0.000 2.358 488 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 488 V C 2.473 178.543 176.094 -0.040 0.000 1.047 488 V CA 2.195 64.465 62.300 -0.050 0.000 1.035 488 V CB -0.225 31.567 31.823 -0.051 0.000 0.658 488 V HN 0.336 nan 8.190 nan 0.000 0.452 489 V N 0.328 120.229 119.914 -0.021 0.000 2.358 489 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 489 V C 2.757 178.749 176.094 -0.170 0.000 1.047 489 V CA 1.958 64.239 62.300 -0.033 0.000 1.035 489 V CB -1.153 30.693 31.823 0.039 0.000 0.658 489 V HN 0.622 nan 8.190 nan 0.000 0.452 490 A N 0.598 123.323 122.820 -0.157 0.000 1.883 490 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 490 A C 2.435 179.873 177.584 -0.243 0.000 1.186 490 A CA 2.167 53.977 52.037 -0.379 0.000 0.624 490 A CB -1.339 17.660 19.000 -0.002 0.000 0.822 490 A HN 0.532 nan 8.150 nan 0.000 0.444 491 G N -0.657 108.106 108.800 -0.061 0.000 2.446 491 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.217 491 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.217 491 G C 1.772 176.686 174.900 0.025 0.000 1.168 491 G CA 1.685 46.855 45.100 0.117 0.000 0.771 491 G HN 0.847 nan 8.290 nan 0.000 0.551 492 A N -0.129 122.653 122.820 -0.064 0.000 1.873 492 A HA -0.034 4.286 4.320 -0.001 0.000 0.215 492 A C 2.610 180.119 177.584 -0.125 0.000 1.186 492 A CA 1.796 53.783 52.037 -0.085 0.000 0.616 492 A CB -0.973 17.989 19.000 -0.063 0.000 0.823 492 A HN 0.432 nan 8.150 nan 0.000 0.442 493 C N -0.653 118.523 119.300 -0.207 0.000 2.432 493 C HA -0.066 4.394 4.460 -0.001 0.000 0.277 493 C C 2.854 177.748 174.990 -0.159 0.000 1.249 493 C CA 1.200 60.087 59.018 -0.219 0.000 1.725 493 C CB -1.321 26.187 27.740 -0.387 0.000 2.028 493 C HN 0.650 nan 8.230 nan 0.000 0.477 494 V N -0.773 119.033 119.914 -0.180 0.000 2.667 494 V HA -0.133 3.986 4.120 -0.001 0.000 0.252 494 V C 2.068 178.141 176.094 -0.035 0.000 1.065 494 V CA 2.502 64.786 62.300 -0.027 0.000 1.083 494 V CB -1.647 30.223 31.823 0.079 0.000 0.692 494 V HN 0.502 nan 8.190 nan 0.000 0.468 495 T N 1.567 116.053 114.554 -0.112 0.000 2.684 495 T HA -0.114 4.236 4.350 -0.001 0.000 0.267 495 T C 1.925 176.561 174.700 -0.107 0.000 1.036 495 T CA 2.296 64.289 62.100 -0.179 0.000 1.148 495 T CB -0.343 68.394 68.868 -0.217 0.000 0.863 495 T HN 0.384 nan 8.240 nan 0.000 0.436 496 I N 0.964 121.477 120.570 -0.094 0.000 2.179 496 I HA -0.099 4.070 4.170 -0.001 0.000 0.242 496 I C 2.376 178.511 176.117 0.030 0.000 1.088 496 I CA 1.372 62.620 61.300 -0.086 0.000 1.357 496 I CB -1.247 36.692 38.000 -0.101 0.000 1.051 496 I HN 0.284 nan 8.210 nan 0.000 0.409 497 L N 0.279 121.551 121.223 0.081 0.000 2.027 497 L HA -0.197 4.142 4.340 -0.001 0.000 0.206 497 L C 2.552 179.602 176.870 0.300 0.000 1.074 497 L CA 1.364 56.347 54.840 0.240 0.000 0.745 497 L CB -0.607 41.555 42.059 0.171 0.000 0.898 497 L HN 0.172 nan 8.230 nan 0.000 0.433 498 K N 0.048 120.545 120.400 0.162 0.000 2.147 498 K HA -0.147 4.173 4.320 -0.001 0.000 0.205 498 K C 2.150 178.852 176.600 0.171 0.000 1.049 498 K CA 1.328 57.707 56.287 0.153 0.000 0.936 498 K CB -0.188 32.351 32.500 0.066 0.000 0.722 498 K HN 0.311 nan 8.250 nan 0.000 0.446 499 A N 0.315 123.216 122.820 0.135 0.000 1.930 499 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 499 A C 1.876 179.638 177.584 0.297 0.000 1.176 499 A CA 0.766 52.897 52.037 0.157 0.000 0.632 499 A CB -0.399 18.598 19.000 -0.004 0.000 0.819 499 A HN 0.261 nan 8.150 nan 0.000 0.445 500 F N -1.150 118.891 119.950 0.151 0.000 2.234 500 F HA 0.242 4.768 4.527 -0.001 0.000 0.296 500 F C 0.484 176.292 175.800 0.015 0.000 1.089 500 F CA 0.434 58.496 58.000 0.103 0.000 1.343 500 F CB 0.072 38.989 39.000 -0.139 0.000 1.040 500 F HN 0.109 nan 8.300 nan 0.000 0.498 501 F N 0.107 120.305 119.950 0.413 0.000 2.380 501 F HA 0.165 4.692 4.527 -0.001 0.000 0.319 501 F C 0.566 176.479 175.800 0.188 0.000 1.113 501 F CA -0.841 57.365 58.000 0.344 0.000 1.056 501 F CB 0.170 39.324 39.000 0.257 0.000 1.289 501 F HN -0.336 nan 8.300 nan 0.000 0.515 502 D N 0.549 121.156 120.400 0.345 0.000 2.455 502 D HA 0.014 4.654 4.640 -0.001 0.000 0.234 502 D C 0.893 177.312 176.300 0.199 0.000 1.224 502 D CA 0.128 54.247 54.000 0.199 0.000 0.999 502 D CB 0.200 41.083 40.800 0.138 0.000 1.072 502 D HN 0.505 nan 8.370 nan 0.000 0.514 503 S N 1.072 116.889 115.700 0.194 0.000 2.607 503 S HA 0.029 4.499 4.470 -0.001 0.000 0.224 503 S C 1.885 176.562 174.600 0.129 0.000 0.969 503 S CA 0.151 58.453 58.200 0.171 0.000 0.927 503 S CB 0.306 63.607 63.200 0.169 0.000 0.772 503 S HN 0.351 nan 8.310 nan 0.000 0.533 504 G N 1.414 110.281 108.800 0.112 0.000 2.650 504 G HA2 0.177 4.137 3.960 -0.001 0.000 0.214 504 G HA3 0.177 4.137 3.960 -0.001 0.000 0.214 504 G C 0.572 175.524 174.900 0.087 0.000 1.136 504 G CA -0.281 44.874 45.100 0.092 0.000 0.789 504 G HN 0.473 nan 8.290 nan 0.000 0.536 505 I N 1.586 122.213 120.570 0.095 0.000 2.752 505 I HA 0.004 4.174 4.170 -0.001 0.000 0.289 505 I C 0.241 176.409 176.117 0.084 0.000 1.197 505 I CA 0.467 61.818 61.300 0.085 0.000 1.432 505 I CB 0.279 38.333 38.000 0.090 0.000 1.359 505 I HN 0.253 nan 8.210 nan 0.000 0.571 506 E N 5.535 125.778 120.200 0.071 0.000 2.301 506 E HA 0.353 4.703 4.350 -0.001 0.000 0.275 506 E C -0.498 176.143 176.600 0.068 0.000 1.030 506 E CA -0.737 55.705 56.400 0.069 0.000 0.852 506 E CB 1.458 31.192 29.700 0.057 0.000 1.060 506 E HN 0.344 nan 8.360 nan 0.000 0.401 507 I N 2.524 123.134 120.570 0.067 0.000 2.496 507 I HA -0.059 4.110 4.170 -0.001 0.000 0.285 507 I C 0.928 177.076 176.117 0.051 0.000 1.080 507 I CA 0.566 61.903 61.300 0.061 0.000 1.404 507 I CB 0.764 38.786 38.000 0.038 0.000 1.403 507 I HN 0.619 nan 8.210 nan 0.000 0.539 508 D N 2.796 123.230 120.400 0.056 0.000 2.092 508 D HA -0.115 4.524 4.640 -0.001 0.000 0.203 508 D C 0.531 176.831 176.300 -0.000 0.000 0.978 508 D CA 1.255 55.278 54.000 0.039 0.000 0.861 508 D CB 0.240 41.078 40.800 0.063 0.000 1.005 508 D HN 0.483 nan 8.370 nan 0.000 0.450 509 Q N 0.047 119.844 119.800 -0.005 0.000 2.282 509 Q HA 0.472 4.811 4.340 -0.001 0.000 0.260 509 Q C -1.663 174.177 176.000 -0.266 0.000 0.964 509 Q CA -0.579 55.115 55.803 -0.182 0.000 0.880 509 Q CB 1.850 30.425 28.738 -0.272 0.000 1.286 509 Q HN -0.057 nan 8.270 nan 0.000 0.445 510 V N 5.676 125.381 119.914 -0.348 0.000 2.370 510 V HA 0.510 4.629 4.120 -0.001 0.000 0.283 510 V C -0.687 175.175 176.094 -0.388 0.000 1.023 510 V CA -0.412 61.761 62.300 -0.211 0.000 0.857 510 V CB 0.459 32.276 31.823 -0.010 0.000 0.985 510 V HN 0.689 nan 8.190 nan 0.000 0.443 511 F N 2.964 122.923 119.950 0.016 0.000 2.541 511 F HA 0.727 5.254 4.527 -0.000 0.000 0.331 511 F C 0.592 176.392 175.800 -0.001 0.000 1.057 511 F CA -0.605 57.408 58.000 0.020 0.000 0.975 511 F CB 1.688 40.716 39.000 0.046 0.000 1.246 511 F HN 0.602 nan 8.300 nan 0.000 0.484 512 E N -1.014 119.323 120.200 0.230 0.000 2.459 512 E HA 0.627 4.976 4.350 -0.001 0.000 0.275 512 E C -1.893 174.785 176.600 0.130 0.000 0.987 512 E CA -1.107 55.370 56.400 0.128 0.000 0.828 512 E CB 1.902 31.644 29.700 0.071 0.000 1.428 512 E HN 0.224 nan 8.360 nan 0.000 0.457 513 V N 1.288 121.259 119.914 0.095 0.000 2.498 513 V HA 0.065 4.184 4.120 -0.001 0.000 0.279 513 V C -0.026 176.124 176.094 0.094 0.000 1.048 513 V CA -0.155 62.201 62.300 0.094 0.000 0.967 513 V CB 0.896 32.776 31.823 0.095 0.000 0.988 513 V HN 0.731 nan 8.190 nan 0.000 0.473 514 D N 3.549 124.002 120.400 0.089 0.000 2.472 514 D HA 0.012 4.651 4.640 -0.001 0.000 0.237 514 D C 1.140 177.484 176.300 0.073 0.000 1.141 514 D CA 0.305 54.352 54.000 0.078 0.000 0.875 514 D CB 0.767 41.609 40.800 0.071 0.000 1.192 514 D HN 0.510 nan 8.370 nan 0.000 0.450 515 K N 1.605 122.046 120.400 0.067 0.000 2.147 515 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 515 K C 0.504 177.136 176.600 0.054 0.000 1.049 515 K CA 1.120 57.446 56.287 0.063 0.000 0.936 515 K CB 0.207 32.742 32.500 0.059 0.000 0.722 515 K HN 0.482 nan 8.250 nan 0.000 0.446 516 D N -0.453 119.976 120.400 0.050 0.000 2.454 516 D HA 0.088 4.728 4.640 -0.001 0.000 0.219 516 D C -0.061 176.264 176.300 0.042 0.000 1.081 516 D CA 0.431 54.456 54.000 0.042 0.000 0.867 516 D CB 0.724 41.545 40.800 0.036 0.000 1.054 516 D HN 0.115 nan 8.370 nan 0.000 0.500 517 E N 0.358 120.586 120.200 0.047 0.000 2.343 517 E HA 0.175 4.525 4.350 -0.001 0.000 0.270 517 E C -1.211 175.421 176.600 0.053 0.000 0.895 517 E CA -0.668 55.760 56.400 0.046 0.000 0.767 517 E CB 2.179 31.904 29.700 0.042 0.000 1.248 517 E HN -0.256 nan 8.360 nan 0.000 0.440 518 D N 2.733 123.164 120.400 0.052 0.000 2.597 518 D HA 0.018 4.658 4.640 -0.001 0.000 0.228 518 D C -0.936 175.396 176.300 0.054 0.000 1.120 518 D CA 0.409 54.443 54.000 0.057 0.000 1.083 518 D CB -0.357 40.477 40.800 0.056 0.000 1.116 518 D HN 0.341 nan 8.370 nan 0.000 0.487 519 K N 0.801 121.235 120.400 0.057 0.000 2.555 519 K HA 0.391 4.711 4.320 -0.001 0.000 0.279 519 K C -1.142 175.495 176.600 0.061 0.000 0.986 519 K CA -1.010 55.309 56.287 0.053 0.000 0.880 519 K CB 0.716 33.246 32.500 0.051 0.000 1.474 519 K HN 0.021 nan 8.250 nan 0.000 0.433 520 L N 1.868 123.121 121.223 0.050 0.000 2.395 520 L HA 0.469 4.809 4.340 -0.001 0.000 0.269 520 L C -0.071 176.883 176.870 0.140 0.000 1.133 520 L CA -0.863 54.021 54.840 0.072 0.000 0.812 520 L CB 1.434 43.460 42.059 -0.054 0.000 1.125 520 L HN 0.579 nan 8.230 nan 0.000 0.452 521 V N -0.429 119.621 119.914 0.227 0.000 2.962 521 V HA 0.463 4.582 4.120 -0.001 0.000 0.313 521 V C -0.392 175.881 176.094 0.298 0.000 1.099 521 V CA -1.388 61.054 62.300 0.237 0.000 0.971 521 V CB 1.696 33.595 31.823 0.126 0.000 1.028 521 V HN 0.596 nan 8.190 nan 0.000 0.430 522 K N 1.820 122.312 120.400 0.154 0.000 2.489 522 K HA 0.271 4.591 4.320 -0.001 0.000 0.278 522 K C 0.462 177.037 176.600 -0.041 0.000 1.000 522 K CA 0.459 56.697 56.287 -0.081 0.000 1.012 522 K CB 0.703 33.138 32.500 -0.108 0.000 0.903 522 K HN 0.923 nan 8.250 nan 0.000 0.485 523 S N 0.986 116.632 115.700 -0.089 0.000 2.610 523 S HA 0.078 4.548 4.470 -0.001 0.000 0.273 523 S C 0.909 175.516 174.600 0.011 0.000 1.274 523 S CA -0.576 57.624 58.200 0.000 0.000 1.023 523 S CB 0.966 64.182 63.200 0.027 0.000 0.962 523 S HN 0.618 nan 8.310 nan 0.000 0.523 524 S N 3.592 119.320 115.700 0.048 0.000 2.605 524 S HA 0.194 4.663 4.470 -0.001 0.000 0.217 524 S C 0.241 174.883 174.600 0.071 0.000 0.958 524 S CA -0.541 57.681 58.200 0.036 0.000 0.919 524 S CB -0.569 62.649 63.200 0.030 0.000 0.780 524 S HN 0.639 nan 8.310 nan 0.000 0.507 525 F N 3.074 123.001 119.950 -0.039 0.000 2.629 525 F HA 0.243 4.770 4.527 -0.000 0.000 0.377 525 F C 1.129 176.906 175.800 -0.039 0.000 1.101 525 F CA 0.025 58.004 58.000 -0.035 0.000 1.301 525 F CB 0.598 39.574 39.000 -0.040 0.000 1.062 525 F HN 0.004 nan 8.300 nan 0.000 0.583 526 K N 3.455 123.323 120.400 -0.888 0.000 2.367 526 K HA 0.225 4.544 4.320 -0.001 0.000 0.195 526 K C 1.166 177.289 176.600 -0.794 0.000 1.060 526 K CA 0.307 56.213 56.287 -0.635 0.000 1.022 526 K CB 0.386 32.689 32.500 -0.327 0.000 0.894 526 K HN 0.842 nan 8.250 nan 0.000 0.540 527 G N 0.234 108.147 108.800 -1.478 0.000 2.582 527 G HA2 0.172 4.132 3.960 -0.001 0.000 0.232 527 G HA3 0.172 4.132 3.960 -0.001 0.000 0.232 527 G C -0.516 174.175 174.900 -0.347 0.000 1.458 527 G CA -0.189 44.482 45.100 -0.714 0.000 1.062 527 G HN 0.020 nan 8.290 nan 0.000 0.566 528 T N 0.359 114.938 114.554 0.041 0.000 2.861 528 T HA 0.572 4.922 4.350 -0.001 0.000 0.287 528 T C -0.383 174.462 174.700 0.242 0.000 1.003 528 T CA -0.240 61.945 62.100 0.141 0.000 0.977 528 T CB 1.545 70.449 68.868 0.059 0.000 0.996 528 T HN 0.292 nan 8.240 nan 0.000 0.448 529 L N 2.730 124.077 121.223 0.206 0.000 2.334 529 L HA 0.757 5.096 4.340 -0.001 0.000 0.272 529 L C 0.774 177.694 176.870 0.084 0.000 1.020 529 L CA -0.960 53.951 54.840 0.119 0.000 0.812 529 L CB 1.925 44.013 42.059 0.050 0.000 1.264 529 L HN 0.776 nan 8.230 nan 0.000 0.439 530 T N -2.215 112.384 114.554 0.076 0.000 2.942 530 T HA 0.382 4.731 4.350 -0.001 0.000 0.289 530 T C 0.975 175.740 174.700 0.108 0.000 1.044 530 T CA -0.791 61.362 62.100 0.088 0.000 1.023 530 T CB 1.851 70.773 68.868 0.091 0.000 1.123 530 T HN 0.164 nan 8.240 nan 0.000 0.512 531 V N 1.395 121.391 119.914 0.137 0.000 2.287 531 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 531 V C 3.109 179.319 176.094 0.193 0.000 1.053 531 V CA 2.599 65.018 62.300 0.198 0.000 1.027 531 V CB -1.528 30.384 31.823 0.148 0.000 0.646 531 V HN 1.080 nan 8.190 nan 0.000 0.447 532 A N 0.292 123.201 122.820 0.148 0.000 1.902 532 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 532 A C 2.415 180.085 177.584 0.144 0.000 1.181 532 A CA 1.915 54.037 52.037 0.141 0.000 0.623 532 A CB -1.183 17.889 19.000 0.120 0.000 0.818 532 A HN 0.541 nan 8.150 nan 0.000 0.443 533 G N -0.609 108.262 108.800 0.119 0.000 2.418 533 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 533 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 533 G C 1.377 176.325 174.900 0.079 0.000 1.158 533 G CA 0.918 46.073 45.100 0.091 0.000 0.771 533 G HN 0.471 nan 8.290 nan 0.000 0.545 534 E N 0.328 120.583 120.200 0.091 0.000 2.208 534 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 534 E C 2.654 179.390 176.600 0.226 0.000 0.988 534 E CA 0.229 56.669 56.400 0.066 0.000 0.828 534 E CB -0.137 29.491 29.700 -0.120 0.000 0.763 534 E HN 0.446 nan 8.360 nan 0.000 0.478 535 L N 1.028 122.426 121.223 0.293 0.000 2.056 535 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 535 L C 2.074 179.071 176.870 0.211 0.000 1.078 535 L CA 0.839 55.833 54.840 0.256 0.000 0.749 535 L CB -0.450 41.717 42.059 0.180 0.000 0.901 535 L HN 0.045 nan 8.230 nan 0.000 0.433 536 N N 0.380 119.198 118.700 0.197 0.000 2.104 536 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 536 N C 1.745 177.309 175.510 0.090 0.000 1.024 536 N CA 1.272 54.437 53.050 0.192 0.000 0.853 536 N CB -0.214 38.393 38.487 0.199 0.000 1.008 536 N HN 0.272 nan 8.380 nan 0.000 0.424 537 K N 0.412 120.842 120.400 0.050 0.000 2.057 537 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 537 K C 1.949 178.536 176.600 -0.022 0.000 1.049 537 K CA 0.751 57.017 56.287 -0.035 0.000 0.931 537 K CB -0.220 32.226 32.500 -0.091 0.000 0.714 537 K HN 0.042 nan 8.250 nan 0.000 0.440 538 L N 1.038 122.296 121.223 0.058 0.000 2.042 538 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 538 L C 2.209 179.159 176.870 0.133 0.000 1.076 538 L CA 2.145 57.033 54.840 0.081 0.000 0.749 538 L CB -0.690 41.480 42.059 0.185 0.000 0.893 538 L HN 0.229 nan 8.230 nan 0.000 0.432 539 A N -1.168 121.760 122.820 0.180 0.000 1.933 539 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 539 A C 2.054 179.682 177.584 0.072 0.000 1.175 539 A CA 1.817 53.957 52.037 0.172 0.000 0.628 539 A CB -0.759 18.299 19.000 0.096 0.000 0.814 539 A HN 0.527 nan 8.150 nan 0.000 0.444 540 D N -0.310 120.097 120.400 0.012 0.000 2.178 540 D HA -0.089 4.551 4.640 -0.001 0.000 0.202 540 D C 1.746 178.050 176.300 0.007 0.000 0.974 540 D CA 0.964 54.955 54.000 -0.015 0.000 0.841 540 D CB -0.426 40.344 40.800 -0.049 0.000 0.953 540 D HN 0.633 nan 8.370 nan 0.000 0.478 541 N N -0.030 118.659 118.700 -0.019 0.000 2.058 541 N HA -0.143 4.597 4.740 -0.001 0.000 0.191 541 N C 1.655 177.188 175.510 0.037 0.000 1.037 541 N CA 0.603 53.646 53.050 -0.012 0.000 0.848 541 N CB 0.085 38.508 38.487 -0.107 0.000 1.021 541 N HN 0.027 nan 8.380 nan 0.000 0.422 542 I N 1.439 122.037 120.570 0.047 0.000 2.202 542 I HA -0.185 3.985 4.170 -0.001 0.000 0.242 542 I C 2.383 178.598 176.117 0.163 0.000 1.091 542 I CA 0.735 62.113 61.300 0.130 0.000 1.368 542 I CB -0.945 37.200 38.000 0.241 0.000 1.058 542 I HN 0.095 nan 8.210 nan 0.000 0.410 543 A N 0.693 123.596 122.820 0.138 0.000 1.865 543 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 543 A C 2.252 179.892 177.584 0.093 0.000 1.191 543 A CA 1.773 53.867 52.037 0.094 0.000 0.623 543 A CB -0.861 18.152 19.000 0.021 0.000 0.826 543 A HN 0.324 nan 8.150 nan 0.000 0.444 544 I N 0.109 120.749 120.570 0.116 0.000 2.394 544 I HA -0.172 3.997 4.170 -0.001 0.000 0.251 544 I C 2.699 178.912 176.117 0.161 0.000 1.136 544 I CA 1.332 62.733 61.300 0.170 0.000 1.425 544 I CB -2.110 36.047 38.000 0.262 0.000 1.079 544 I HN 0.373 nan 8.210 nan 0.000 0.425 545 G N 1.628 110.525 108.800 0.162 0.000 2.545 545 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.222 545 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.222 545 G C 1.772 176.723 174.900 0.084 0.000 1.126 545 G CA 0.537 45.727 45.100 0.150 0.000 0.754 545 G HN 0.268 nan 8.290 nan 0.000 0.583 546 R N 0.440 120.980 120.500 0.066 0.000 2.092 546 R HA -0.007 4.333 4.340 -0.001 0.000 0.231 546 R C 2.270 178.567 176.300 -0.005 0.000 1.119 546 R CA 1.096 57.217 56.100 0.034 0.000 0.970 546 R CB -0.828 29.543 30.300 0.118 0.000 0.864 546 R HN 0.330 nan 8.270 nan 0.000 0.440 547 N N 0.946 119.669 118.700 0.039 0.000 2.142 547 N HA -0.049 4.691 4.740 -0.001 0.000 0.186 547 N C 1.828 177.284 175.510 -0.089 0.000 1.023 547 N CA 1.190 54.243 53.050 0.004 0.000 0.852 547 N CB -0.260 38.282 38.487 0.093 0.000 0.998 547 N HN 0.174 nan 8.380 nan 0.000 0.424 548 M N -0.013 119.546 119.600 -0.069 0.000 2.358 548 M HA -0.033 4.447 4.480 -0.001 0.000 0.264 548 M C 1.697 177.880 176.300 -0.194 0.000 1.064 548 M CA 1.085 56.310 55.300 -0.124 0.000 1.093 548 M CB -0.099 32.483 32.600 -0.029 0.000 1.401 548 M HN 0.157 nan 8.290 nan 0.000 0.440 549 A N -0.520 122.142 122.820 -0.263 0.000 2.132 549 A HA 0.373 4.692 4.320 -0.001 0.000 0.213 549 A C 1.711 178.968 177.584 -0.545 0.000 1.154 549 A CA 0.909 52.622 52.037 -0.540 0.000 0.753 549 A CB -0.383 18.108 19.000 -0.849 0.000 0.826 549 A HN 0.602 nan 8.150 nan 0.000 0.469 550 G N -1.465 107.115 108.800 -0.366 0.000 2.144 550 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 550 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 550 G C 0.850 175.550 174.900 -0.333 0.000 0.988 550 G CA 0.690 45.590 45.100 -0.333 0.000 0.659 550 G HN 1.594 nan 8.290 nan 0.000 0.522 551 V N -3.671 116.053 119.914 -0.318 0.000 3.578 551 V HA 0.552 4.672 4.120 -0.001 0.000 0.290 551 V C 0.555 176.349 176.094 -0.501 0.000 1.376 551 V CA 0.562 62.650 62.300 -0.352 0.000 1.083 551 V CB 0.063 31.722 31.823 -0.273 0.000 0.911 551 V HN 0.402 nan 8.190 nan 0.000 0.433 552 H N -0.715 118.230 119.070 -0.209 0.000 3.012 552 H HA 0.575 5.131 4.556 -0.001 0.000 0.367 552 H C -1.630 173.600 175.328 -0.163 0.000 1.211 552 H CA -0.608 55.347 56.048 -0.155 0.000 1.139 552 H CB 1.905 31.665 29.762 -0.004 0.000 1.838 552 H HN 0.262 nan 8.280 nan 0.000 0.550 553 Y N 0.325 120.771 120.300 0.244 0.000 2.432 553 Y HA 0.087 4.637 4.550 -0.001 0.000 0.322 553 Y C 1.624 177.662 175.900 0.230 0.000 1.246 553 Y CA -0.763 57.455 58.100 0.197 0.000 1.268 553 Y CB 0.670 39.220 38.460 0.151 0.000 1.276 553 Y HN 0.593 nan 8.280 nan 0.000 0.499 554 F N 1.429 121.549 119.950 0.282 0.000 2.065 554 F HA -0.328 4.199 4.527 -0.000 0.000 0.298 554 F C 2.485 178.422 175.800 0.228 0.000 1.112 554 F CA 2.454 60.588 58.000 0.223 0.000 1.212 554 F CB -0.494 38.626 39.000 0.199 0.000 0.975 554 F HN 0.584 nan 8.300 nan 0.000 0.476 555 S N -0.135 115.802 115.700 0.396 0.000 2.374 555 S HA -0.265 4.205 4.470 -0.001 0.000 0.227 555 S C 1.751 176.522 174.600 0.285 0.000 1.037 555 S CA 1.510 59.898 58.200 0.314 0.000 1.024 555 S CB -0.996 62.344 63.200 0.233 0.000 0.861 555 S HN 0.489 nan 8.310 nan 0.000 0.456 556 D N 1.559 122.152 120.400 0.322 0.000 2.158 556 D HA -0.109 4.531 4.640 -0.001 0.000 0.197 556 D C 2.280 178.523 176.300 -0.095 0.000 0.995 556 D CA 1.409 55.524 54.000 0.192 0.000 0.846 556 D CB -0.291 40.622 40.800 0.188 0.000 0.941 556 D HN 0.455 nan 8.370 nan 0.000 0.456 557 Q N -0.407 119.331 119.800 -0.103 0.000 2.061 557 Q HA -0.025 4.314 4.340 -0.001 0.000 0.195 557 Q C 2.172 178.053 176.000 -0.198 0.000 0.967 557 Q CA 0.389 56.080 55.803 -0.187 0.000 0.829 557 Q CB -0.926 27.709 28.738 -0.171 0.000 0.900 557 Q HN 0.325 nan 8.270 nan 0.000 0.450 558 F N 2.673 122.394 119.950 -0.381 0.000 2.095 558 F HA -0.184 4.342 4.527 -0.000 0.000 0.298 558 F C 1.962 177.655 175.800 -0.178 0.000 1.104 558 F CA 1.462 59.263 58.000 -0.331 0.000 1.232 558 F CB 0.096 38.886 39.000 -0.350 0.000 0.987 558 F HN 0.030 nan 8.300 nan 0.000 0.475 559 E N -0.016 120.097 120.200 -0.145 0.000 2.150 559 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 559 E C 2.421 178.850 176.600 -0.286 0.000 0.985 559 E CA 1.283 57.561 56.400 -0.203 0.000 0.814 559 E CB -0.590 29.093 29.700 -0.028 0.000 0.752 559 E HN 0.382 nan 8.360 nan 0.000 0.466 560 S N 1.021 116.549 115.700 -0.287 0.000 2.383 560 S HA -0.041 4.429 4.470 -0.001 0.000 0.227 560 S C 2.165 176.645 174.600 -0.200 0.000 1.026 560 S CA 0.525 58.580 58.200 -0.241 0.000 0.981 560 S CB -0.172 62.891 63.200 -0.228 0.000 0.818 560 S HN 0.165 nan 8.310 nan 0.000 0.472 561 L N 1.267 122.332 121.223 -0.263 0.000 2.042 561 L HA -0.127 4.213 4.340 -0.001 0.000 0.210 561 L C 2.193 178.983 176.870 -0.134 0.000 1.076 561 L CA 1.086 55.778 54.840 -0.246 0.000 0.749 561 L CB -0.632 41.142 42.059 -0.474 0.000 0.893 561 L HN 0.301 nan 8.230 nan 0.000 0.432 562 L N -1.084 119.974 121.223 -0.274 0.000 2.056 562 L HA -0.223 4.117 4.340 -0.001 0.000 0.207 562 L C 2.565 179.405 176.870 -0.051 0.000 1.078 562 L CA 0.762 55.528 54.840 -0.124 0.000 0.749 562 L CB -0.550 41.361 42.059 -0.245 0.000 0.901 562 L HN 0.235 nan 8.230 nan 0.000 0.433 563 L N 0.526 121.696 121.223 -0.088 0.000 2.079 563 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 563 L C 2.345 179.195 176.870 -0.033 0.000 1.081 563 L CA 2.051 56.858 54.840 -0.055 0.000 0.752 563 L CB -0.831 41.184 42.059 -0.074 0.000 0.896 563 L HN 0.164 nan 8.230 nan 0.000 0.433 564 G N -1.674 107.109 108.800 -0.028 0.000 2.421 564 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 564 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 564 G C 1.462 176.353 174.900 -0.016 0.000 1.143 564 G CA 0.606 45.694 45.100 -0.020 0.000 0.784 564 G HN 0.523 nan 8.290 nan 0.000 0.541 565 E N 0.258 120.468 120.200 0.016 0.000 2.051 565 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 565 E C 2.437 178.998 176.600 -0.064 0.000 0.991 565 E CA 1.177 57.544 56.400 -0.054 0.000 0.799 565 E CB -0.155 29.507 29.700 -0.064 0.000 0.748 565 E HN 0.547 nan 8.360 nan 0.000 0.449 566 Q N -0.065 119.714 119.800 -0.034 0.000 2.096 566 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 566 Q C 2.342 178.322 176.000 -0.034 0.000 0.982 566 Q CA 1.818 57.603 55.803 -0.031 0.000 0.850 566 Q CB 0.028 28.757 28.738 -0.016 0.000 0.901 566 Q HN 0.219 nan 8.270 nan 0.000 0.422 567 V N 0.776 120.670 119.914 -0.033 0.000 2.295 567 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 567 V C 2.216 178.285 176.094 -0.042 0.000 1.049 567 V CA 1.899 64.180 62.300 -0.031 0.000 1.024 567 V CB -1.009 30.798 31.823 -0.027 0.000 0.648 567 V HN 0.431 nan 8.190 nan 0.000 0.447 568 A N -0.151 122.634 122.820 -0.058 0.000 1.873 568 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 568 A C 2.192 179.725 177.584 -0.085 0.000 1.186 568 A CA 1.827 53.818 52.037 -0.078 0.000 0.616 568 A CB -0.557 18.382 19.000 -0.102 0.000 0.823 568 A HN 0.480 nan 8.150 nan 0.000 0.442 569 I N -0.160 120.361 120.570 -0.082 0.000 2.151 569 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 569 I C 2.685 178.776 176.117 -0.043 0.000 1.080 569 I CA 1.399 62.658 61.300 -0.069 0.000 1.339 569 I CB -0.660 37.304 38.000 -0.060 0.000 1.039 569 I HN 0.420 nan 8.210 nan 0.000 0.409 570 G N 0.739 109.519 108.800 -0.034 0.000 2.432 570 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 570 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 570 G C 1.680 176.573 174.900 -0.012 0.000 1.135 570 G CA 0.546 45.634 45.100 -0.019 0.000 0.767 570 G HN 0.336 nan 8.290 nan 0.000 0.550 571 I N 0.230 120.789 120.570 -0.019 0.000 2.252 571 I HA -0.095 4.075 4.170 -0.001 0.000 0.245 571 I C 2.680 178.805 176.117 0.013 0.000 1.102 571 I CA 0.573 61.869 61.300 -0.006 0.000 1.385 571 I CB -0.177 37.813 38.000 -0.017 0.000 1.064 571 I HN 0.117 nan 8.210 nan 0.000 0.414 572 L N 0.320 121.531 121.223 -0.019 0.000 2.042 572 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 572 L C 2.513 179.433 176.870 0.084 0.000 1.076 572 L CA 1.567 56.407 54.840 0.000 0.000 0.749 572 L CB -0.596 41.386 42.059 -0.128 0.000 0.893 572 L HN 0.278 nan 8.230 nan 0.000 0.432 573 E N -0.061 120.165 120.200 0.044 0.000 2.051 573 E HA -0.237 4.113 4.350 -0.001 0.000 0.192 573 E C 2.109 178.741 176.600 0.054 0.000 0.991 573 E CA 1.320 57.747 56.400 0.045 0.000 0.799 573 E CB -0.011 29.698 29.700 0.014 0.000 0.748 573 E HN 0.517 nan 8.360 nan 0.000 0.449 574 E N 0.635 120.860 120.200 0.041 0.000 2.106 574 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 574 E C 2.095 178.729 176.600 0.056 0.000 0.984 574 E CA 0.784 57.202 56.400 0.030 0.000 0.806 574 E CB 0.045 29.750 29.700 0.008 0.000 0.750 574 E HN 0.262 nan 8.360 nan 0.000 0.458 575 Q N 0.278 120.141 119.800 0.105 0.000 2.291 575 Q HA -0.097 4.242 4.340 -0.001 0.000 0.205 575 Q C 2.252 178.416 176.000 0.274 0.000 0.970 575 Q CA 1.231 57.126 55.803 0.152 0.000 0.876 575 Q CB -0.033 28.849 28.738 0.239 0.000 0.935 575 Q HN 0.222 nan 8.270 nan 0.000 0.455 576 S N 0.666 116.553 115.700 0.312 0.000 2.442 576 S HA -0.096 4.374 4.470 -0.001 0.000 0.236 576 S C 1.794 176.543 174.600 0.248 0.000 1.007 576 S CA 0.694 59.110 58.200 0.360 0.000 0.965 576 S CB -0.358 62.935 63.200 0.154 0.000 0.773 576 S HN 0.348 nan 8.310 nan 0.000 0.504 577 L N 1.870 123.163 121.223 0.118 0.000 2.465 577 L HA 0.022 4.361 4.340 -0.001 0.000 0.224 577 L C 2.702 179.581 176.870 0.015 0.000 1.145 577 L CA 1.237 56.110 54.840 0.054 0.000 0.834 577 L CB -0.968 41.096 42.059 0.010 0.000 0.944 577 L HN 0.590 nan 8.230 nan 0.000 0.451 578 T N -4.183 110.329 114.554 -0.071 0.000 3.081 578 T HA 0.013 4.363 4.350 -0.001 0.000 0.255 578 T C 0.400 174.947 174.700 -0.256 0.000 1.113 578 T CA 0.004 61.963 62.100 -0.235 0.000 1.082 578 T CB -0.229 68.398 68.868 -0.401 0.000 0.939 578 T HN 0.062 nan 8.240 nan 0.000 0.506 579 Y N 0.437 120.843 120.300 0.176 0.000 2.361 579 Y HA 0.636 5.185 4.550 -0.000 0.000 0.332 579 Y C 1.683 177.699 175.900 0.193 0.000 1.101 579 Y CA -0.959 57.289 58.100 0.246 0.000 1.137 579 Y CB 1.426 40.189 38.460 0.505 0.000 1.207 579 Y HN 0.025 nan 8.280 nan 0.000 0.463 580 G N 1.087 110.086 108.800 0.330 0.000 2.623 580 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.214 580 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.214 580 G C 0.123 175.154 174.900 0.218 0.000 1.138 580 G CA 0.041 45.274 45.100 0.221 0.000 0.794 580 G HN 0.529 nan 8.290 nan 0.000 0.535 581 E N 0.087 120.465 120.200 0.296 0.000 2.371 581 E HA 0.259 4.609 4.350 -0.001 0.000 0.257 581 E C -0.144 176.556 176.600 0.168 0.000 1.134 581 E CA -0.501 55.999 56.400 0.167 0.000 0.919 581 E CB 0.671 30.381 29.700 0.016 0.000 1.025 581 E HN 0.131 nan 8.360 nan 0.000 0.438 582 N N 2.308 121.029 118.700 0.034 0.000 2.521 582 N HA 0.251 4.990 4.740 -0.001 0.000 0.236 582 N C -1.693 173.812 175.510 -0.008 0.000 1.067 582 N CA -0.260 52.789 53.050 -0.003 0.000 0.939 582 N CB -0.420 38.048 38.487 -0.032 0.000 1.201 582 N HN 0.460 nan 8.380 nan 0.000 0.511 583 F N 1.201 121.000 119.950 -0.252 0.000 2.877 583 F HA 0.751 5.277 4.527 -0.001 0.000 0.319 583 F C -1.912 173.783 175.800 -0.174 0.000 1.174 583 F CA -1.444 56.327 58.000 -0.381 0.000 0.903 583 F CB 0.978 39.530 39.000 -0.747 0.000 1.357 583 F HN 0.059 nan 8.300 nan 0.000 0.472 584 F N -0.876 118.825 119.950 -0.416 0.000 2.713 584 F HA 0.763 5.290 4.527 -0.001 0.000 0.311 584 F C -2.237 173.393 175.800 -0.284 0.000 1.141 584 F CA -1.970 55.765 58.000 -0.441 0.000 0.939 584 F CB 1.070 39.913 39.000 -0.261 0.000 1.325 584 F HN 0.461 nan 8.300 nan 0.000 0.453 585 F N 1.815 121.788 119.950 0.039 0.000 2.404 585 F HA 0.325 4.852 4.527 -0.001 0.000 0.345 585 F C 0.351 176.244 175.800 0.155 0.000 1.110 585 F CA -0.273 57.722 58.000 -0.007 0.000 1.130 585 F CB 1.266 40.270 39.000 0.008 0.000 1.129 585 F HN 0.685 nan 8.300 nan 0.000 0.500 586 N N 3.947 122.799 118.700 0.252 0.000 2.426 586 N HA 0.430 5.170 4.740 -0.001 0.000 0.257 586 N C -1.602 174.014 175.510 0.176 0.000 1.002 586 N CA -0.593 52.614 53.050 0.263 0.000 0.942 586 N CB 0.724 39.337 38.487 0.210 0.000 1.112 586 N HN 0.548 nan 8.380 nan 0.000 0.499 587 L N 6.195 127.496 121.223 0.130 0.000 2.316 587 L HA 0.624 4.964 4.340 -0.001 0.000 0.280 587 L C -2.571 174.314 176.870 0.024 0.000 1.006 587 L CA -2.254 52.622 54.840 0.059 0.000 0.836 587 L CB 1.346 43.412 42.059 0.011 0.000 1.221 587 L HN 0.497 nan 8.230 nan 0.000 0.418 588 P HA 0.163 nan 4.420 nan 0.000 0.279 588 P C -0.922 176.344 177.300 -0.057 0.000 1.318 588 P CA -0.102 63.005 63.100 0.012 0.000 0.819 588 P CB 0.485 32.213 31.700 0.045 0.000 0.927 589 K N 2.401 122.764 120.400 -0.061 0.000 2.138 589 K HA 0.235 4.555 4.320 -0.001 0.000 0.251 589 K C 1.242 177.822 176.600 -0.033 0.000 1.015 589 K CA -0.454 55.749 56.287 -0.139 0.000 0.917 589 K CB 0.378 32.837 32.500 -0.069 0.000 1.021 589 K HN 0.296 nan 8.250 nan 0.000 0.485 590 F N 1.152 121.122 119.950 0.034 0.000 2.269 590 F HA -0.203 4.324 4.527 -0.001 0.000 0.301 590 F C 1.920 177.772 175.800 0.088 0.000 1.082 590 F CA 0.736 58.770 58.000 0.056 0.000 1.360 590 F CB -0.047 38.970 39.000 0.028 0.000 1.041 590 F HN 0.643 nan 8.300 nan 0.000 0.512 591 D N -0.670 119.870 120.400 0.233 0.000 2.349 591 D HA 0.080 4.720 4.640 -0.001 0.000 0.224 591 D C 1.735 178.113 176.300 0.130 0.000 1.029 591 D CA 0.959 55.067 54.000 0.179 0.000 0.879 591 D CB -0.081 40.803 40.800 0.141 0.000 0.906 591 D HN 0.312 nan 8.370 nan 0.000 0.528 592 G N -0.259 108.612 108.800 0.118 0.000 2.176 592 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.232 592 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.232 592 G C 0.474 175.413 174.900 0.066 0.000 0.986 592 G CA 0.460 45.616 45.100 0.092 0.000 0.643 592 G HN 0.811 nan 8.290 nan 0.000 0.522 593 T N -1.696 112.892 114.554 0.056 0.000 2.912 593 T HA 0.700 5.049 4.350 -0.001 0.000 0.280 593 T C -0.130 174.587 174.700 0.027 0.000 0.989 593 T CA 0.244 62.366 62.100 0.038 0.000 0.995 593 T CB 2.401 71.287 68.868 0.031 0.000 1.077 593 T HN 0.290 nan 8.240 nan 0.000 0.531 594 T N 1.743 116.311 114.554 0.024 0.000 2.807 594 T HA 0.568 4.918 4.350 -0.001 0.000 0.279 594 T C -0.616 174.092 174.700 0.013 0.000 0.993 594 T CA -0.613 61.502 62.100 0.025 0.000 0.970 594 T CB 0.699 69.591 68.868 0.041 0.000 0.950 594 T HN 0.675 nan 8.240 nan 0.000 0.441 595 I N 2.889 123.467 120.570 0.013 0.000 2.460 595 I HA 0.420 4.589 4.170 -0.001 0.000 0.298 595 I C -0.686 175.451 176.117 0.033 0.000 0.989 595 I CA -0.859 60.443 61.300 0.004 0.000 1.173 595 I CB 1.602 39.598 38.000 -0.008 0.000 1.338 595 I HN 0.577 nan 8.210 nan 0.000 0.456 596 Q N 7.066 126.859 119.800 -0.012 0.000 2.325 596 Q HA 0.575 4.914 4.340 -0.001 0.000 0.262 596 Q C -1.089 174.916 176.000 0.008 0.000 0.968 596 Q CA -0.364 55.442 55.803 0.004 0.000 0.877 596 Q CB 2.596 31.140 28.738 -0.324 0.000 1.253 596 Q HN 0.552 nan 8.270 nan 0.000 0.448 597 I N 0.000 120.664 120.570 0.157 0.000 2.984 597 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 597 I CA 0.000 61.371 61.300 0.119 0.000 1.566 597 I CB 0.000 38.084 38.000 0.140 0.000 1.214 597 I HN 0.000 nan 8.210 nan 0.000 0.494