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 1k0e_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKTLSPAVIT LLWRQDAAEF YFSRLSHLPW AMLLHSGYAD HPYSRFDIVV DATA SEQUENCE AEPICTLTTF GKETVVSESE KRTTTTDDPL QVLQQVLDRA DIRPTHNEDL DATA SEQUENCE PFQGGALGLF GYDLGRRFES LPEIAEQDIV LPDMAVGIYD WALIVDHQRH DATA SEQUENCE TVSLLSHNDV NARRAWLESQ QFSPQEDFTL TSDWQSNMTR EQYGEKFRQV DATA SEQUENCE QEYLHSGDCY QVNLAQRFHA TYSGDEWQAF LQLNQANRAP FSAFLRLEQG DATA SEQUENCE AILSLSPERF ILCDNSEIQT RXXXXXXXXX XXXXXXXXXX XXXXXXAKDR DATA SEQUENCE AENLMIVDLM RNDIGRVAVA GSVKVPEXXX XXXXXXXXXX XSTITAQLPE DATA SEQUENCE QLHASDLLRA AFPGGSITGA PKVRAMEIID ELEPQRRNAW CGSIGYLSFC DATA SEQUENCE GNMDTSITIR TLTAINGQIF CSAGGGIVAD SQEEAEYQET FDKVNRILKQ DATA SEQUENCE LEK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 K N 0.314 120.720 120.400 0.010 0.000 2.722 2 K HA 0.401 4.721 4.320 0.000 0.000 0.174 2 K C -0.621 175.973 176.600 -0.010 0.000 1.173 2 K CA -0.111 56.177 56.287 0.002 0.000 1.143 2 K CB 0.820 33.319 32.500 -0.001 0.000 0.850 2 K HN 0.118 nan 8.250 nan 0.000 0.477 3 T N 1.391 115.934 114.554 -0.018 0.000 2.948 3 T HA 0.563 4.913 4.350 0.000 0.000 0.285 3 T C -0.067 174.631 174.700 -0.004 0.000 1.019 3 T CA -1.022 61.058 62.100 -0.034 0.000 1.013 3 T CB 0.622 69.436 68.868 -0.089 0.000 1.117 3 T HN 0.365 nan 8.240 nan 0.000 0.533 4 L N 0.356 121.583 121.223 0.008 0.000 2.479 4 L HA 0.644 4.984 4.340 0.000 0.000 0.248 4 L C 0.568 177.478 176.870 0.066 0.000 1.205 4 L CA -0.848 54.009 54.840 0.029 0.000 0.817 4 L CB -0.012 42.061 42.059 0.023 0.000 1.162 4 L HN 0.397 nan 8.230 nan 0.000 0.486 5 S N 0.699 116.424 115.700 0.042 0.000 2.584 5 S HA 0.302 4.772 4.470 0.000 0.000 0.270 5 S C -2.089 172.498 174.600 -0.022 0.000 1.346 5 S CA -0.623 57.593 58.200 0.027 0.000 1.018 5 S CB 0.103 63.303 63.200 -0.001 0.000 0.899 5 S HN 0.649 nan 8.310 nan 0.000 0.542 6 P HA 0.314 nan 4.420 nan 0.000 0.276 6 P C -1.043 176.166 177.300 -0.152 0.000 1.244 6 P CA -0.552 62.345 63.100 -0.339 0.000 0.801 6 P CB 0.474 31.753 31.700 -0.702 0.000 1.006 7 A N 1.508 124.265 122.820 -0.105 0.000 2.462 7 A HA 0.395 4.715 4.320 0.000 0.000 0.243 7 A C -0.101 177.455 177.584 -0.047 0.000 1.076 7 A CA -0.016 51.990 52.037 -0.052 0.000 0.773 7 A CB -0.233 18.750 19.000 -0.029 0.000 1.010 7 A HN 0.371 nan 8.150 nan 0.000 0.493 8 V N 3.356 123.256 119.914 -0.024 0.000 2.638 8 V HA 0.455 4.575 4.120 0.000 0.000 0.306 8 V C -0.568 175.532 176.094 0.009 0.000 1.052 8 V CA -0.182 62.113 62.300 -0.008 0.000 0.885 8 V CB 1.674 33.491 31.823 -0.009 0.000 0.999 8 V HN 0.746 nan 8.190 nan 0.000 0.424 9 I N 3.186 123.768 120.570 0.021 0.000 2.436 9 I HA 0.431 4.601 4.170 0.000 0.000 0.289 9 I C 0.168 176.313 176.117 0.046 0.000 1.010 9 I CA -0.271 61.047 61.300 0.030 0.000 1.098 9 I CB 2.322 40.339 38.000 0.027 0.000 1.266 9 I HN 0.659 nan 8.210 nan 0.000 0.434 10 T N 7.009 121.598 114.554 0.058 0.000 2.771 10 T HA 0.623 4.973 4.350 0.000 0.000 0.291 10 T C -0.264 174.498 174.700 0.103 0.000 0.954 10 T CA -0.399 61.752 62.100 0.085 0.000 1.045 10 T CB 0.284 69.204 68.868 0.087 0.000 0.917 10 T HN 0.355 nan 8.240 nan 0.000 0.484 11 L N 4.028 125.330 121.223 0.133 0.000 2.431 11 L HA 0.526 4.866 4.340 0.000 0.000 0.260 11 L C 0.258 177.263 176.870 0.224 0.000 1.098 11 L CA -1.454 53.490 54.840 0.174 0.000 0.800 11 L CB 0.824 42.993 42.059 0.182 0.000 1.210 11 L HN 0.598 nan 8.230 nan 0.000 0.465 12 L N -0.067 121.292 121.223 0.227 0.000 2.499 12 L HA 0.063 4.403 4.340 0.000 0.000 0.273 12 L C -0.093 176.926 176.870 0.249 0.000 1.195 12 L CA 0.120 55.084 54.840 0.207 0.000 0.882 12 L CB -0.105 42.036 42.059 0.136 0.000 1.133 12 L HN 0.548 nan 8.230 nan 0.000 0.483 13 W N 5.840 127.199 121.300 0.098 0.000 2.216 13 W HA 0.444 5.104 4.660 0.000 0.000 0.326 13 W C -0.334 176.234 176.519 0.082 0.000 1.319 13 W CA -0.589 56.818 57.345 0.102 0.000 1.213 13 W CB 0.890 30.419 29.460 0.116 0.000 1.171 13 W HN 0.792 nan 8.180 nan 0.000 0.557 14 R N 3.676 123.443 120.500 -1.222 0.000 2.633 14 R HA 0.064 4.404 4.340 0.000 0.000 0.255 14 R C 0.352 175.908 176.300 -1.239 0.000 1.106 14 R CA -0.785 54.710 56.100 -1.008 0.000 0.959 14 R CB 1.287 31.303 30.300 -0.473 0.000 1.259 14 R HN 0.519 nan 8.270 nan 0.000 0.453 15 Q N 1.010 120.332 119.800 -0.798 0.000 2.112 15 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 15 Q C 0.367 176.348 176.000 -0.031 0.000 0.987 15 Q CA 2.509 58.137 55.803 -0.291 0.000 0.858 15 Q CB 0.095 28.852 28.738 0.032 0.000 0.905 15 Q HN 0.806 nan 8.270 nan 0.000 0.420 16 D N -1.466 118.910 120.400 -0.041 0.000 2.460 16 D HA 0.101 4.741 4.640 0.000 0.000 0.229 16 D C 1.052 177.441 176.300 0.149 0.000 1.170 16 D CA 0.521 54.627 54.000 0.176 0.000 0.827 16 D CB 0.136 41.008 40.800 0.119 0.000 0.973 16 D HN 0.137 nan 8.370 nan 0.000 0.496 17 A N 0.921 123.741 122.820 0.001 0.000 1.986 17 A HA -0.058 4.262 4.320 0.000 0.000 0.220 17 A C 2.382 180.173 177.584 0.343 0.000 1.171 17 A CA 1.916 54.051 52.037 0.164 0.000 0.640 17 A CB -0.676 18.413 19.000 0.149 0.000 0.811 17 A HN 0.419 nan 8.150 nan 0.000 0.451 18 A N -0.367 122.630 122.820 0.296 0.000 1.877 18 A HA -0.199 4.121 4.320 0.000 0.000 0.216 18 A C 1.961 179.799 177.584 0.423 0.000 1.186 18 A CA 1.760 53.992 52.037 0.326 0.000 0.620 18 A CB -0.515 18.609 19.000 0.207 0.000 0.822 18 A HN 0.639 nan 8.150 nan 0.000 0.443 19 E N -1.582 118.904 120.200 0.476 0.000 2.107 19 E HA -0.112 4.238 4.350 0.000 0.000 0.191 19 E C 1.751 178.604 176.600 0.421 0.000 0.982 19 E CA 1.068 57.803 56.400 0.557 0.000 0.809 19 E CB -0.237 29.794 29.700 0.551 0.000 0.756 19 E HN 0.677 nan 8.360 nan 0.000 0.459 20 F N 0.503 120.536 119.950 0.138 0.000 2.075 20 F HA -0.249 4.278 4.527 0.000 0.000 0.297 20 F C 1.736 177.475 175.800 -0.102 0.000 1.113 20 F CA 1.511 59.477 58.000 -0.057 0.000 1.218 20 F CB -0.461 38.376 39.000 -0.270 0.000 0.984 20 F HN -0.004 nan 8.300 nan 0.000 0.472 21 Y N -1.393 118.834 120.300 -0.121 0.000 2.314 21 Y HA -0.119 4.431 4.550 0.000 0.000 0.293 21 Y C 2.279 178.105 175.900 -0.123 0.000 1.129 21 Y CA 1.471 59.423 58.100 -0.248 0.000 1.201 21 Y CB -1.054 37.406 38.460 -0.001 0.000 0.999 21 Y HN 0.193 nan 8.280 nan 0.000 0.541 22 F N -0.435 119.511 119.950 -0.008 0.000 2.259 22 F HA -0.118 4.409 4.527 0.000 0.000 0.298 22 F C 2.637 178.147 175.800 -0.483 0.000 1.088 22 F CA 1.124 59.009 58.000 -0.192 0.000 1.358 22 F CB -0.580 38.312 39.000 -0.181 0.000 1.040 22 F HN -0.069 nan 8.300 nan 0.000 0.505 23 S N 1.110 116.564 115.700 -0.410 0.000 2.378 23 S HA -0.300 4.170 4.470 0.000 0.000 0.229 23 S C 2.313 176.569 174.600 -0.573 0.000 1.052 23 S CA 2.040 59.906 58.200 -0.555 0.000 1.084 23 S CB -0.476 62.695 63.200 -0.049 0.000 0.950 23 S HN 0.583 nan 8.310 nan 0.000 0.440 24 R N 0.718 120.987 120.500 -0.385 0.000 2.280 24 R HA 0.071 4.411 4.340 0.000 0.000 0.207 24 R C 1.726 177.810 176.300 -0.361 0.000 1.043 24 R CA 0.933 56.855 56.100 -0.297 0.000 1.006 24 R CB -0.496 29.684 30.300 -0.200 0.000 0.885 24 R HN 0.453 nan 8.270 nan 0.000 0.467 25 L N 1.356 122.244 121.223 -0.559 0.000 2.554 25 L HA 0.104 4.444 4.340 0.000 0.000 0.225 25 L C 2.391 178.893 176.870 -0.612 0.000 1.104 25 L CA 0.460 55.007 54.840 -0.488 0.000 0.866 25 L CB -0.048 41.751 42.059 -0.434 0.000 1.047 25 L HN 0.200 nan 8.230 nan 0.000 0.468 26 S N -0.266 114.844 115.700 -0.982 0.000 2.428 26 S HA -0.279 4.191 4.470 0.000 0.000 0.240 26 S C 1.739 176.125 174.600 -0.356 0.000 1.036 26 S CA 1.462 59.122 58.200 -0.901 0.000 1.009 26 S CB -0.407 62.066 63.200 -1.212 0.000 0.803 26 S HN 0.519 nan 8.310 nan 0.000 0.486 27 H N 0.077 119.064 119.070 -0.139 0.000 2.586 27 H HA 0.401 4.957 4.556 0.000 0.000 0.273 27 H C -0.084 175.262 175.328 0.030 0.000 0.997 27 H CA -0.022 56.029 56.048 0.005 0.000 1.177 27 H CB 0.190 29.951 29.762 -0.001 0.000 1.471 27 H HN 0.414 nan 8.280 nan 0.000 0.538 28 L N 3.038 124.322 121.223 0.102 0.000 2.281 28 L HA 0.274 4.614 4.340 0.000 0.000 0.285 28 L C -2.208 174.756 176.870 0.155 0.000 1.074 28 L CA -2.043 52.886 54.840 0.148 0.000 0.817 28 L CB 0.708 42.880 42.059 0.188 0.000 1.168 28 L HN -0.194 nan 8.230 nan 0.000 0.434 29 P HA -0.117 nan 4.420 nan 0.000 0.261 29 P C -0.567 176.846 177.300 0.188 0.000 1.173 29 P CA 0.393 63.511 63.100 0.030 0.000 0.760 29 P CB 0.121 31.848 31.700 0.045 0.000 0.783 30 W N -0.131 121.260 121.300 0.151 0.000 2.279 30 W HA -0.202 4.458 4.660 0.000 0.000 0.275 30 W C 0.238 176.913 176.519 0.260 0.000 1.083 30 W CA 0.263 57.726 57.345 0.197 0.000 0.504 30 W CB -2.162 27.412 29.460 0.190 0.000 2.112 30 W HN 0.429 nan 8.180 nan 0.000 1.261 31 A N 0.981 124.016 122.820 0.359 0.000 2.366 31 A HA 0.789 5.109 4.320 0.000 0.000 0.272 31 A C 0.048 177.882 177.584 0.417 0.000 1.135 31 A CA 0.260 52.514 52.037 0.362 0.000 0.804 31 A CB 0.382 19.509 19.000 0.212 0.000 1.064 31 A HN 0.208 nan 8.150 nan 0.000 0.499 32 M N 2.146 121.948 119.600 0.337 0.000 2.446 32 M HA 0.456 4.936 4.480 0.000 0.000 0.294 32 M C -1.340 174.786 176.300 -0.290 0.000 1.158 32 M CA -0.589 54.748 55.300 0.063 0.000 0.899 32 M CB 2.308 34.865 32.600 -0.072 0.000 1.687 32 M HN 0.636 nan 8.290 nan 0.000 0.455 33 L N 3.933 124.787 121.223 -0.615 0.000 2.362 33 L HA 0.700 5.040 4.340 0.000 0.000 0.275 33 L C -2.003 174.686 176.870 -0.301 0.000 0.998 33 L CA -0.297 54.142 54.840 -0.669 0.000 0.820 33 L CB 1.583 42.853 42.059 -1.314 0.000 1.270 33 L HN 0.697 nan 8.230 nan 0.000 0.415 34 L N 5.238 126.348 121.223 -0.189 0.000 2.280 34 L HA 0.458 4.798 4.340 0.000 0.000 0.287 34 L C -1.017 175.846 176.870 -0.012 0.000 1.023 34 L CA -0.562 54.239 54.840 -0.065 0.000 0.819 34 L CB 1.118 43.143 42.059 -0.057 0.000 1.212 34 L HN 0.721 nan 8.230 nan 0.000 0.420 35 H N 1.278 120.336 119.070 -0.020 0.000 2.505 35 H HA 0.254 4.810 4.556 0.000 0.000 0.338 35 H C 0.232 175.509 175.328 -0.085 0.000 1.057 35 H CA -0.298 55.741 56.048 -0.015 0.000 1.202 35 H CB 1.695 31.516 29.762 0.099 0.000 1.466 35 H HN 0.516 nan 8.280 nan 0.000 0.499 36 S N 3.568 119.104 115.700 -0.273 0.000 2.743 36 S HA 0.113 4.583 4.470 0.000 0.000 0.230 36 S C 1.292 175.816 174.600 -0.126 0.000 0.950 36 S CA 0.485 58.558 58.200 -0.211 0.000 0.976 36 S CB -0.237 62.833 63.200 -0.217 0.000 0.779 36 S HN 1.037 nan 8.310 nan 0.000 0.487 37 G N 1.217 110.078 108.800 0.103 0.000 2.356 37 G HA2 -0.354 3.606 3.960 0.000 0.000 0.296 37 G HA3 -0.354 3.606 3.960 0.000 0.000 0.296 37 G C 0.229 175.127 174.900 -0.003 0.000 1.022 37 G CA 0.313 45.444 45.100 0.052 0.000 0.961 37 G HN 0.546 nan 8.290 nan 0.000 0.510 38 Y N -4.127 116.215 120.300 0.070 0.000 4.851 38 Y HA -0.292 4.258 4.550 0.000 0.000 0.235 38 Y C 1.811 177.658 175.900 -0.088 0.000 0.998 38 Y CA 1.178 59.248 58.100 -0.051 0.000 1.980 38 Y CB -1.822 36.645 38.460 0.011 0.000 1.561 38 Y HN 1.608 nan 8.280 nan 0.000 0.585 39 A N 0.576 123.407 122.820 0.018 0.000 2.366 39 A HA 0.491 4.811 4.320 0.000 0.000 0.272 39 A C -0.114 177.528 177.584 0.095 0.000 1.135 39 A CA -0.338 51.739 52.037 0.066 0.000 0.804 39 A CB 0.168 19.179 19.000 0.017 0.000 1.064 39 A HN 0.197 nan 8.150 nan 0.000 0.499 40 D N 1.661 122.153 120.400 0.153 0.000 2.316 40 D HA 0.577 5.217 4.640 0.000 0.000 0.245 40 D C -0.518 175.907 176.300 0.207 0.000 1.171 40 D CA 1.243 55.313 54.000 0.116 0.000 0.856 40 D CB 0.358 41.195 40.800 0.061 0.000 1.090 40 D HN 0.615 nan 8.370 nan 0.000 0.476 41 H N 0.067 119.141 119.070 0.007 0.000 3.005 41 H HA 0.159 4.715 4.556 0.000 0.000 0.311 41 H C -2.097 173.254 175.328 0.039 0.000 1.366 41 H CA -0.941 55.122 56.048 0.025 0.000 1.210 41 H CB 1.468 31.277 29.762 0.079 0.000 1.894 41 H HN 0.144 nan 8.280 nan 0.000 0.520 42 P HA -0.121 nan 4.420 nan 0.000 0.231 42 P C 0.844 178.317 177.300 0.288 0.000 1.168 42 P CA 1.123 64.317 63.100 0.156 0.000 0.779 42 P CB 0.507 32.271 31.700 0.107 0.000 0.844 43 Y N 2.382 122.784 120.300 0.170 0.000 2.242 43 Y HA -0.049 4.501 4.550 0.000 0.000 0.291 43 Y C 1.857 177.759 175.900 0.004 0.000 1.137 43 Y CA 0.943 59.143 58.100 0.167 0.000 1.181 43 Y CB -0.563 38.004 38.460 0.178 0.000 0.989 43 Y HN 0.063 nan 8.280 nan 0.000 0.527 44 S N -0.702 115.096 115.700 0.164 0.000 2.592 44 S HA 0.279 4.749 4.470 0.000 0.000 0.243 44 S C 1.259 175.851 174.600 -0.014 0.000 1.160 44 S CA -0.649 57.535 58.200 -0.027 0.000 1.145 44 S CB 0.493 63.664 63.200 -0.050 0.000 0.909 44 S HN 0.353 nan 8.310 nan 0.000 0.487 45 R N 0.801 121.284 120.500 -0.028 0.000 2.062 45 R HA 0.240 4.580 4.340 0.000 0.000 0.226 45 R C -0.572 175.596 176.300 -0.220 0.000 1.125 45 R CA 0.900 56.869 56.100 -0.219 0.000 0.966 45 R CB 0.074 30.090 30.300 -0.473 0.000 0.861 45 R HN 0.437 nan 8.270 nan 0.000 0.433 46 F N 1.060 121.053 119.950 0.072 0.000 2.470 46 F HA 0.369 4.896 4.527 0.000 0.000 0.329 46 F C -0.308 175.468 175.800 -0.039 0.000 1.072 46 F CA -1.192 56.828 58.000 0.033 0.000 0.989 46 F CB 1.265 40.266 39.000 0.002 0.000 1.193 46 F HN -0.098 nan 8.300 nan 0.000 0.481 47 D N 2.351 122.827 120.400 0.126 0.000 2.256 47 D HA 0.576 5.217 4.640 0.000 0.000 0.246 47 D C -0.534 175.765 176.300 -0.002 0.000 1.042 47 D CA -0.061 53.923 54.000 -0.025 0.000 0.841 47 D CB 2.463 43.200 40.800 -0.105 0.000 1.223 47 D HN 0.297 nan 8.370 nan 0.000 0.470 48 I N 0.976 121.497 120.570 -0.081 0.000 2.498 48 I HA 0.335 4.505 4.170 0.000 0.000 0.290 48 I C -0.646 175.359 176.117 -0.187 0.000 1.032 48 I CA -1.003 60.205 61.300 -0.153 0.000 1.073 48 I CB 2.426 40.255 38.000 -0.285 0.000 1.251 48 I HN -0.085 nan 8.210 nan 0.000 0.426 49 V N 6.387 126.203 119.914 -0.164 0.000 2.540 49 V HA 0.649 4.769 4.120 0.000 0.000 0.302 49 V C -0.390 175.485 176.094 -0.364 0.000 1.035 49 V CA -0.614 61.605 62.300 -0.136 0.000 0.873 49 V CB 2.239 34.131 31.823 0.116 0.000 0.992 49 V HN 0.540 nan 8.190 nan 0.000 0.428 50 V N 1.678 121.327 119.914 -0.442 0.000 3.049 50 V HA 1.117 5.237 4.120 0.000 0.000 0.309 50 V C -0.408 175.460 176.094 -0.378 0.000 1.148 50 V CA -0.464 61.296 62.300 -0.899 0.000 0.990 50 V CB 1.621 32.536 31.823 -1.514 0.000 1.039 50 V HN 1.462 nan 8.190 nan 0.000 0.430 51 A N 0.806 123.565 122.820 -0.102 0.000 2.564 51 A HA 0.804 5.124 4.320 0.000 0.000 0.291 51 A C -0.164 177.804 177.584 0.640 0.000 1.102 51 A CA -0.035 52.285 52.037 0.471 0.000 0.660 51 A CB 0.859 20.241 19.000 0.636 0.000 1.283 51 A HN 1.558 nan 8.150 nan 0.000 0.430 52 E N -0.224 120.271 120.200 0.492 0.000 2.222 52 E HA -0.135 4.215 4.350 0.000 0.000 0.189 52 E C -2.195 174.562 176.600 0.262 0.000 1.415 52 E CA 0.551 57.116 56.400 0.275 0.000 0.689 52 E CB -0.996 28.645 29.700 -0.098 0.000 1.107 52 E HN 0.464 nan 8.360 nan 0.000 0.350 53 P HA -0.037 nan 4.420 nan 0.000 0.271 53 P C 0.900 178.078 177.300 -0.203 0.000 1.218 53 P CA 0.266 63.190 63.100 -0.294 0.000 0.780 53 P CB 0.517 31.787 31.700 -0.717 0.000 0.901 54 I N -0.282 120.181 120.570 -0.178 0.000 2.716 54 I HA 0.105 4.275 4.170 0.000 0.000 0.259 54 I C 1.065 177.076 176.117 -0.176 0.000 1.172 54 I CA 0.617 61.852 61.300 -0.108 0.000 1.478 54 I CB -0.210 37.778 38.000 -0.020 0.000 1.104 54 I HN 0.213 nan 8.210 nan 0.000 0.439 55 C N 0.813 119.946 119.300 -0.277 0.000 3.090 55 C HA 0.813 5.273 4.460 0.000 0.000 0.305 55 C C -0.262 174.449 174.990 -0.465 0.000 1.292 55 C CA 0.299 59.148 59.018 -0.282 0.000 1.482 55 C CB 1.449 29.087 27.740 -0.171 0.000 1.897 55 C HN 0.586 nan 8.230 nan 0.000 0.469 56 T N 1.831 116.110 114.554 -0.460 0.000 2.903 56 T HA 0.791 5.141 4.350 0.000 0.000 0.299 56 T C -1.451 173.056 174.700 -0.321 0.000 1.093 56 T CA -0.603 61.103 62.100 -0.656 0.000 1.002 56 T CB 1.420 69.583 68.868 -1.175 0.000 1.127 56 T HN 0.651 nan 8.240 nan 0.000 0.488 57 L N 1.638 122.713 121.223 -0.247 0.000 2.438 57 L HA 0.657 4.997 4.340 0.000 0.000 0.270 57 L C -0.302 176.596 176.870 0.046 0.000 0.972 57 L CA -0.442 54.357 54.840 -0.068 0.000 0.831 57 L CB 2.691 44.715 42.059 -0.057 0.000 1.273 57 L HN 0.906 nan 8.230 nan 0.000 0.405 58 T N 0.875 115.476 114.554 0.078 0.000 2.847 58 T HA 0.541 4.891 4.350 0.000 0.000 0.291 58 T C -0.436 174.276 174.700 0.019 0.000 0.998 58 T CA -0.558 61.597 62.100 0.091 0.000 0.967 58 T CB 1.351 70.341 68.868 0.204 0.000 0.954 58 T HN 0.426 nan 8.240 nan 0.000 0.441 59 T N 3.607 118.097 114.554 -0.107 0.000 2.770 59 T HA 0.570 4.920 4.350 0.000 0.000 0.283 59 T C -0.907 173.623 174.700 -0.282 0.000 0.988 59 T CA -0.437 61.602 62.100 -0.102 0.000 0.957 59 T CB 0.324 69.137 68.868 -0.091 0.000 0.930 59 T HN 0.367 nan 8.240 nan 0.000 0.443 60 F N 2.813 122.764 119.950 0.002 0.000 2.430 60 F HA 0.549 5.076 4.527 0.000 0.000 0.362 60 F C 1.193 176.986 175.800 -0.012 0.000 1.103 60 F CA -0.042 57.957 58.000 -0.002 0.000 1.045 60 F CB 0.902 39.905 39.000 0.004 0.000 1.276 60 F HN 0.939 nan 8.300 nan 0.000 0.444 61 G N 3.389 112.257 108.800 0.113 0.000 2.561 61 G HA2 -0.402 3.558 3.960 0.000 0.000 0.289 61 G HA3 -0.402 3.558 3.960 0.000 0.000 0.289 61 G C 0.982 175.895 174.900 0.023 0.000 1.169 61 G CA 0.370 45.507 45.100 0.063 0.000 0.980 61 G HN 0.496 nan 8.290 nan 0.000 0.550 62 K N 1.610 122.028 120.400 0.030 0.000 2.486 62 K HA 0.286 4.606 4.320 0.000 0.000 0.194 62 K C 0.986 177.599 176.600 0.022 0.000 1.033 62 K CA 1.197 57.492 56.287 0.013 0.000 1.004 62 K CB 0.267 32.776 32.500 0.015 0.000 0.798 62 K HN 0.589 nan 8.250 nan 0.000 0.495 63 E N -0.319 119.908 120.200 0.046 0.000 2.266 63 E HA 0.243 4.593 4.350 0.000 0.000 0.268 63 E C -1.185 175.451 176.600 0.060 0.000 0.879 63 E CA -0.606 55.824 56.400 0.050 0.000 0.762 63 E CB 1.572 31.308 29.700 0.059 0.000 1.199 63 E HN -0.149 nan 8.360 nan 0.000 0.422 64 T N 2.529 117.110 114.554 0.045 0.000 2.797 64 T HA 0.358 4.708 4.350 0.000 0.000 0.279 64 T C -0.826 173.903 174.700 0.049 0.000 0.991 64 T CA -0.544 61.581 62.100 0.042 0.000 0.979 64 T CB 1.318 70.200 68.868 0.023 0.000 0.943 64 T HN 0.252 nan 8.240 nan 0.000 0.444 65 V N 4.186 124.139 119.914 0.065 0.000 2.347 65 V HA 0.359 4.480 4.120 0.000 0.000 0.280 65 V C -0.055 176.056 176.094 0.028 0.000 1.021 65 V CA -0.689 61.645 62.300 0.058 0.000 0.847 65 V CB 1.458 33.334 31.823 0.088 0.000 0.990 65 V HN 0.694 nan 8.190 nan 0.000 0.444 66 V N 4.616 124.532 119.914 0.004 0.000 2.370 66 V HA 0.568 4.688 4.120 0.000 0.000 0.279 66 V C 0.238 176.307 176.094 -0.041 0.000 1.029 66 V CA -0.032 62.251 62.300 -0.029 0.000 0.870 66 V CB 1.618 33.426 31.823 -0.026 0.000 0.984 66 V HN 0.885 nan 8.190 nan 0.000 0.451 67 S N 4.761 120.413 115.700 -0.080 0.000 2.733 67 S HA 0.551 5.021 4.470 0.000 0.000 0.294 67 S C -0.635 173.903 174.600 -0.103 0.000 1.149 67 S CA -0.726 57.431 58.200 -0.071 0.000 1.034 67 S CB 1.174 64.344 63.200 -0.050 0.000 1.015 67 S HN 0.766 nan 8.310 nan 0.000 0.486 68 E N 1.962 122.116 120.200 -0.076 0.000 2.446 68 E HA 0.374 4.724 4.350 0.000 0.000 0.251 68 E C 0.312 176.878 176.600 -0.056 0.000 1.087 68 E CA -0.796 55.560 56.400 -0.073 0.000 0.937 68 E CB 1.085 30.752 29.700 -0.056 0.000 1.254 68 E HN 0.536 nan 8.360 nan 0.000 0.479 69 S N -0.154 115.518 115.700 -0.047 0.000 2.478 69 S HA -0.058 4.412 4.470 0.000 0.000 0.222 69 S C 0.827 175.414 174.600 -0.021 0.000 1.008 69 S CA 0.639 58.820 58.200 -0.032 0.000 0.928 69 S CB 0.027 63.212 63.200 -0.026 0.000 0.781 69 S HN 0.391 nan 8.310 nan 0.000 0.518 70 E N 1.069 121.255 120.200 -0.023 0.000 2.465 70 E HA 0.196 4.546 4.350 0.000 0.000 0.191 70 E C -0.199 176.393 176.600 -0.014 0.000 1.053 70 E CA -0.100 56.291 56.400 -0.016 0.000 0.869 70 E CB 0.175 29.865 29.700 -0.016 0.000 0.977 70 E HN 0.460 nan 8.360 nan 0.000 0.483 71 K N -0.382 120.008 120.400 -0.017 0.000 2.639 71 K HA 0.361 4.681 4.320 0.000 0.000 0.279 71 K C -1.331 175.260 176.600 -0.015 0.000 0.976 71 K CA -0.935 55.344 56.287 -0.013 0.000 0.861 71 K CB 1.235 33.727 32.500 -0.013 0.000 1.436 71 K HN -0.004 nan 8.250 nan 0.000 0.400 72 R N 1.166 121.662 120.500 -0.007 0.000 2.534 72 R HA 0.656 4.996 4.340 0.000 0.000 0.301 72 R C -1.175 175.125 176.300 -0.001 0.000 0.961 72 R CA -0.240 55.858 56.100 -0.004 0.000 0.871 72 R CB 1.617 31.921 30.300 0.006 0.000 1.170 72 R HN 0.962 nan 8.270 nan 0.000 0.446 73 T N -0.161 114.392 114.554 -0.001 0.000 2.901 73 T HA 0.594 4.944 4.350 0.000 0.000 0.293 73 T C -0.338 174.368 174.700 0.010 0.000 1.084 73 T CA -0.741 61.360 62.100 0.003 0.000 1.008 73 T CB 1.884 70.750 68.868 -0.003 0.000 1.170 73 T HN 0.612 nan 8.240 nan 0.000 0.509 74 T N -1.590 112.973 114.554 0.014 0.000 2.907 74 T HA 0.785 5.135 4.350 0.000 0.000 0.292 74 T C -0.503 174.207 174.700 0.018 0.000 1.043 74 T CA -0.742 61.371 62.100 0.022 0.000 1.003 74 T CB 1.796 70.680 68.868 0.027 0.000 1.084 74 T HN 1.095 nan 8.240 nan 0.000 0.483 75 T N -0.479 114.088 114.554 0.021 0.000 2.840 75 T HA 0.536 4.886 4.350 0.000 0.000 0.317 75 T C 0.466 175.178 174.700 0.020 0.000 1.401 75 T CA -0.051 62.060 62.100 0.017 0.000 1.028 75 T CB 1.524 70.400 68.868 0.013 0.000 1.317 75 T HN 0.986 nan 8.240 nan 0.000 0.495 76 T N -0.140 114.424 114.554 0.018 0.000 3.145 76 T HA 0.276 4.626 4.350 0.000 0.000 0.255 76 T C 0.356 175.067 174.700 0.018 0.000 1.039 76 T CA -0.324 61.786 62.100 0.017 0.000 0.928 76 T CB -0.137 68.740 68.868 0.015 0.000 1.029 76 T HN 0.561 nan 8.240 nan 0.000 0.554 77 D N 2.273 122.686 120.400 0.021 0.000 2.377 77 D HA 0.067 4.707 4.640 0.000 0.000 0.245 77 D C 0.019 176.344 176.300 0.041 0.000 1.196 77 D CA -0.493 53.523 54.000 0.028 0.000 0.962 77 D CB 0.609 41.423 40.800 0.023 0.000 1.127 77 D HN 0.165 nan 8.370 nan 0.000 0.471 78 D N 1.306 121.744 120.400 0.064 0.000 2.581 78 D HA -0.068 4.572 4.640 0.000 0.000 0.238 78 D C -1.735 174.635 176.300 0.118 0.000 1.145 78 D CA -0.833 53.238 54.000 0.118 0.000 0.866 78 D CB 1.073 41.961 40.800 0.146 0.000 1.151 78 D HN 0.152 nan 8.370 nan 0.000 0.500 79 P HA -0.071 nan 4.420 nan 0.000 0.220 79 P C 1.463 178.835 177.300 0.120 0.000 1.148 79 P CA 0.751 63.905 63.100 0.091 0.000 0.803 79 P CB 0.235 31.971 31.700 0.060 0.000 0.782 80 L N -1.205 120.125 121.223 0.180 0.000 2.341 80 L HA -0.087 4.253 4.340 0.000 0.000 0.214 80 L C 2.435 179.321 176.870 0.026 0.000 1.115 80 L CA 0.895 55.788 54.840 0.089 0.000 0.820 80 L CB -0.577 41.503 42.059 0.034 0.000 0.944 80 L HN -0.018 nan 8.230 nan 0.000 0.452 81 Q N -0.402 119.418 119.800 0.034 0.000 2.119 81 Q HA -0.119 4.221 4.340 0.000 0.000 0.201 81 Q C 2.410 178.405 176.000 -0.009 0.000 0.972 81 Q CA 1.228 57.029 55.803 -0.003 0.000 0.847 81 Q CB -0.272 28.469 28.738 0.006 0.000 0.903 81 Q HN 0.366 nan 8.270 nan 0.000 0.433 82 V N 1.544 121.466 119.914 0.014 0.000 2.295 82 V HA -0.233 3.887 4.120 0.000 0.000 0.246 82 V C 2.425 178.518 176.094 -0.002 0.000 1.049 82 V CA 1.274 63.577 62.300 0.006 0.000 1.024 82 V CB -0.625 31.207 31.823 0.016 0.000 0.648 82 V HN 0.282 nan 8.190 nan 0.000 0.447 83 L N -0.312 120.920 121.223 0.015 0.000 2.042 83 L HA -0.276 4.064 4.340 0.000 0.000 0.210 83 L C 2.656 179.517 176.870 -0.015 0.000 1.076 83 L CA 2.046 56.895 54.840 0.016 0.000 0.749 83 L CB -0.217 41.877 42.059 0.058 0.000 0.893 83 L HN 0.405 nan 8.230 nan 0.000 0.432 84 Q N -0.377 119.394 119.800 -0.048 0.000 2.123 84 Q HA -0.233 4.107 4.340 0.000 0.000 0.199 84 Q C 2.083 178.020 176.000 -0.105 0.000 0.966 84 Q CA 1.523 57.255 55.803 -0.118 0.000 0.845 84 Q CB 0.018 28.630 28.738 -0.210 0.000 0.907 84 Q HN 0.475 nan 8.270 nan 0.000 0.439 85 Q N -1.101 118.658 119.800 -0.069 0.000 2.124 85 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 85 Q C 2.006 177.988 176.000 -0.029 0.000 0.977 85 Q CA 1.643 57.416 55.803 -0.050 0.000 0.850 85 Q CB 0.044 28.762 28.738 -0.033 0.000 0.901 85 Q HN 0.242 nan 8.270 nan 0.000 0.429 86 V N 0.565 120.468 119.914 -0.017 0.000 2.307 86 V HA -0.241 3.879 4.120 0.000 0.000 0.245 86 V C 2.103 178.218 176.094 0.035 0.000 1.045 86 V CA 1.455 63.752 62.300 -0.004 0.000 1.024 86 V CB -0.455 31.359 31.823 -0.016 0.000 0.651 86 V HN 0.352 nan 8.190 nan 0.000 0.449 87 L N -0.163 121.086 121.223 0.043 0.000 2.012 87 L HA -0.209 4.131 4.340 0.000 0.000 0.210 87 L C 2.437 179.390 176.870 0.138 0.000 1.073 87 L CA 1.721 56.648 54.840 0.144 0.000 0.748 87 L CB -0.728 41.383 42.059 0.087 0.000 0.891 87 L HN 0.355 nan 8.230 nan 0.000 0.431 88 D N -0.123 120.295 120.400 0.030 0.000 2.097 88 D HA -0.165 4.475 4.640 0.000 0.000 0.195 88 D C 2.273 178.567 176.300 -0.010 0.000 0.989 88 D CA 1.102 55.105 54.000 0.006 0.000 0.827 88 D CB -0.204 40.576 40.800 -0.033 0.000 0.966 88 D HN 0.195 nan 8.370 nan 0.000 0.456 89 R N 0.505 120.997 120.500 -0.012 0.000 2.249 89 R HA -0.040 4.300 4.340 0.000 0.000 0.230 89 R C 2.073 178.343 176.300 -0.050 0.000 1.121 89 R CA 0.805 56.888 56.100 -0.028 0.000 0.997 89 R CB -0.142 30.144 30.300 -0.023 0.000 0.867 89 R HN 0.098 nan 8.270 nan 0.000 0.465 90 A N 0.913 123.705 122.820 -0.047 0.000 1.972 90 A HA -0.174 4.146 4.320 0.000 0.000 0.219 90 A C 0.614 178.043 177.584 -0.258 0.000 1.169 90 A CA 1.291 53.249 52.037 -0.130 0.000 0.635 90 A CB -0.045 18.876 19.000 -0.131 0.000 0.810 90 A HN 0.397 nan 8.150 nan 0.000 0.446 91 D N -2.120 118.156 120.400 -0.207 0.000 2.800 91 D HA -0.126 4.514 4.640 0.000 0.000 0.232 91 D C -0.586 175.508 176.300 -0.345 0.000 1.137 91 D CA 0.772 54.647 54.000 -0.208 0.000 0.718 91 D CB -1.257 39.451 40.800 -0.152 0.000 1.084 91 D HN 0.492 nan 8.370 nan 0.000 0.432 92 I N 0.560 120.794 120.570 -0.560 0.000 2.418 92 I HA 0.386 4.557 4.170 0.000 0.000 0.287 92 I C 0.202 176.036 176.117 -0.472 0.000 1.008 92 I CA -0.615 60.225 61.300 -0.768 0.000 1.104 92 I CB 1.607 38.674 38.000 -1.555 0.000 1.264 92 I HN -0.121 nan 8.210 nan 0.000 0.438 93 R N 6.837 127.198 120.500 -0.233 0.000 2.718 93 R HA 0.292 4.632 4.340 0.000 0.000 0.266 93 R C -2.776 173.514 176.300 -0.017 0.000 1.776 93 R CA -1.406 54.659 56.100 -0.059 0.000 1.567 93 R CB 1.245 31.532 30.300 -0.022 0.000 1.336 93 R HN 0.269 nan 8.270 nan 0.000 0.619 94 P HA 0.040 nan 4.420 nan 0.000 0.276 94 P C -0.035 177.308 177.300 0.072 0.000 1.244 94 P CA -0.199 62.945 63.100 0.073 0.000 0.801 94 P CB 1.112 32.914 31.700 0.171 0.000 1.006 95 T N 1.269 115.859 114.554 0.061 0.000 2.930 95 T HA -0.004 4.346 4.350 0.000 0.000 0.306 95 T C 0.362 175.118 174.700 0.094 0.000 1.045 95 T CA 0.023 62.167 62.100 0.074 0.000 1.134 95 T CB -0.498 68.402 68.868 0.052 0.000 0.961 95 T HN 0.391 nan 8.240 nan 0.000 0.545 96 H N 4.714 123.804 119.070 0.033 0.000 2.964 96 H HA 0.048 4.604 4.556 0.000 0.000 0.328 96 H C -0.189 175.159 175.328 0.032 0.000 1.030 96 H CA 0.268 56.337 56.048 0.036 0.000 1.445 96 H CB 0.344 30.128 29.762 0.037 0.000 1.449 96 H HN 0.463 nan 8.280 nan 0.000 0.581 97 N N 4.252 122.554 118.700 -0.663 0.000 2.448 97 N HA -0.006 4.734 4.740 0.000 0.000 0.279 97 N C 0.461 175.668 175.510 -0.505 0.000 1.025 97 N CA -0.436 52.356 53.050 -0.431 0.000 0.898 97 N CB 1.495 39.871 38.487 -0.185 0.000 1.303 97 N HN 0.664 nan 8.380 nan 0.000 0.495 98 E N 1.695 121.725 120.200 -0.283 0.000 2.204 98 E HA -0.074 4.276 4.350 0.000 0.000 0.195 98 E C 0.041 176.682 176.600 0.069 0.000 0.990 98 E CA 1.401 57.783 56.400 -0.030 0.000 0.821 98 E CB 0.275 30.053 29.700 0.131 0.000 0.750 98 E HN 0.550 nan 8.360 nan 0.000 0.477 99 D N -0.910 119.521 120.400 0.051 0.000 2.339 99 D HA 0.045 4.685 4.640 0.000 0.000 0.217 99 D C -0.469 175.879 176.300 0.080 0.000 1.050 99 D CA 0.113 54.214 54.000 0.167 0.000 0.856 99 D CB 0.545 41.413 40.800 0.113 0.000 0.922 99 D HN 0.064 nan 8.370 nan 0.000 0.518 100 L N 1.632 122.789 121.223 -0.110 0.000 2.490 100 L HA 0.236 4.576 4.340 0.000 0.000 0.256 100 L C -1.798 174.900 176.870 -0.287 0.000 1.089 100 L CA -1.475 53.236 54.840 -0.215 0.000 0.916 100 L CB 2.232 44.214 42.059 -0.130 0.000 1.188 100 L HN -0.275 nan 8.230 nan 0.000 0.476 101 P HA -0.110 nan 4.420 nan 0.000 0.219 101 P C 0.161 177.343 177.300 -0.196 0.000 1.150 101 P CA 0.940 63.857 63.100 -0.306 0.000 0.814 101 P CB 0.340 31.700 31.700 -0.567 0.000 0.787 102 F N 0.810 120.456 119.950 -0.507 0.000 2.499 102 F HA 0.377 4.904 4.527 0.000 0.000 0.333 102 F C 0.039 175.684 175.800 -0.259 0.000 1.138 102 F CA -0.767 56.929 58.000 -0.506 0.000 0.945 102 F CB 1.616 40.057 39.000 -0.931 0.000 1.181 102 F HN -0.336 nan 8.300 nan 0.000 0.435 103 Q N 5.485 124.974 119.800 -0.520 0.000 2.404 103 Q HA 0.450 4.790 4.340 0.000 0.000 0.368 103 Q C 0.174 175.976 176.000 -0.330 0.000 0.939 103 Q CA -0.246 55.371 55.803 -0.309 0.000 1.099 103 Q CB 1.022 29.717 28.738 -0.071 0.000 1.284 103 Q HN 1.067 nan 8.270 nan 0.000 0.421 104 G N -0.596 107.537 108.800 -1.112 0.000 2.712 104 G HA2 0.151 4.111 3.960 0.000 0.000 0.686 104 G HA3 0.151 4.111 3.960 0.000 0.000 0.686 104 G C -0.068 174.057 174.900 -1.292 0.000 1.321 104 G CA -0.505 44.142 45.100 -0.754 0.000 0.813 104 G HN 0.762 nan 8.290 nan 0.000 0.599 105 G N -0.828 107.274 108.800 -1.164 0.000 2.250 105 G HA2 0.615 4.575 3.960 0.000 0.000 0.252 105 G HA3 0.615 4.575 3.960 0.000 0.000 0.252 105 G C 0.134 174.936 174.900 -0.163 0.000 1.325 105 G CA 0.928 45.287 45.100 -1.236 0.000 1.091 105 G HN 2.665 nan 8.290 nan 0.000 0.476 106 A N -0.511 122.338 122.820 0.049 0.000 2.327 106 A HA 0.851 5.171 4.320 0.000 0.000 0.283 106 A C -0.273 177.487 177.584 0.292 0.000 1.127 106 A CA 0.135 52.267 52.037 0.158 0.000 0.810 106 A CB 1.037 20.111 19.000 0.124 0.000 1.066 106 A HN 1.904 nan 8.150 nan 0.000 0.492 107 L N 1.839 123.212 121.223 0.250 0.000 2.513 107 L HA 0.712 5.052 4.340 0.000 0.000 0.261 107 L C 0.008 176.950 176.870 0.120 0.000 0.945 107 L CA 0.597 55.513 54.840 0.126 0.000 0.848 107 L CB 2.022 43.975 42.059 -0.176 0.000 1.334 107 L HN 1.373 nan 8.230 nan 0.000 0.407 108 G N 2.785 111.578 108.800 -0.011 0.000 2.398 108 G HA2 0.230 4.190 3.960 0.000 0.000 0.251 108 G HA3 0.230 4.190 3.960 0.000 0.000 0.251 108 G C -2.485 172.211 174.900 -0.338 0.000 1.277 108 G CA -0.478 44.553 45.100 -0.114 0.000 0.927 108 G HN 0.629 nan 8.290 nan 0.000 0.477 109 L N 0.476 121.426 121.223 -0.454 0.000 2.307 109 L HA 0.866 5.206 4.340 0.000 0.000 0.284 109 L C -1.325 175.112 176.870 -0.722 0.000 1.023 109 L CA -0.975 53.605 54.840 -0.432 0.000 0.810 109 L CB 0.897 42.821 42.059 -0.225 0.000 1.231 109 L HN 0.367 nan 8.230 nan 0.000 0.423 110 F N 4.413 124.336 119.950 -0.046 0.000 2.359 110 F HA 0.554 5.081 4.527 0.000 0.000 0.370 110 F C 1.073 176.880 175.800 0.012 0.000 1.077 110 F CA -0.726 57.178 58.000 -0.160 0.000 1.136 110 F CB 0.905 39.662 39.000 -0.404 0.000 1.387 110 F HN 0.624 nan 8.300 nan 0.000 0.468 111 G N 0.715 109.569 108.800 0.091 0.000 2.544 111 G HA2 -0.069 3.891 3.960 0.000 0.000 0.242 111 G HA3 -0.069 3.891 3.960 0.000 0.000 0.242 111 G C 0.593 175.721 174.900 0.380 0.000 1.247 111 G CA -0.192 45.017 45.100 0.182 0.000 0.840 111 G HN 0.755 nan 8.290 nan 0.000 0.578 112 Y N 0.358 120.778 120.300 0.200 0.000 2.181 112 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 112 Y C 2.196 178.193 175.900 0.161 0.000 1.179 112 Y CA 2.458 60.632 58.100 0.124 0.000 1.179 112 Y CB 0.224 38.674 38.460 -0.016 0.000 0.973 112 Y HN 0.516 nan 8.280 nan 0.000 0.519 113 D N 0.210 120.756 120.400 0.243 0.000 2.378 113 D HA -0.124 4.516 4.640 0.000 0.000 0.222 113 D C 1.926 178.216 176.300 -0.018 0.000 0.980 113 D CA 0.631 54.682 54.000 0.084 0.000 0.907 113 D CB -0.064 40.811 40.800 0.124 0.000 0.899 113 D HN 0.394 nan 8.370 nan 0.000 0.527 114 L N 0.817 122.057 121.223 0.028 0.000 2.275 114 L HA 0.006 4.346 4.340 0.000 0.000 0.215 114 L C 2.228 178.916 176.870 -0.302 0.000 1.119 114 L CA 1.158 55.912 54.840 -0.143 0.000 0.790 114 L CB -0.586 41.373 42.059 -0.167 0.000 0.919 114 L HN -0.032 nan 8.230 nan 0.000 0.443 115 G N -0.434 108.370 108.800 0.005 0.000 2.442 115 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 115 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 115 G C 1.630 176.410 174.900 -0.200 0.000 1.141 115 G CA 0.766 45.846 45.100 -0.034 0.000 0.763 115 G HN 0.452 nan 8.290 nan 0.000 0.554 116 R N -0.126 120.250 120.500 -0.207 0.000 2.303 116 R HA 0.015 4.355 4.340 0.000 0.000 0.225 116 R C 1.981 178.166 176.300 -0.193 0.000 1.114 116 R CA 0.596 56.606 56.100 -0.150 0.000 1.007 116 R CB -0.100 30.142 30.300 -0.096 0.000 0.861 116 R HN 0.123 nan 8.270 nan 0.000 0.471 117 R N -0.335 119.919 120.500 -0.409 0.000 2.310 117 R HA 0.067 4.407 4.340 0.000 0.000 0.202 117 R C 0.396 176.530 176.300 -0.277 0.000 0.933 117 R CA 0.614 56.461 56.100 -0.421 0.000 1.054 117 R CB 0.240 30.182 30.300 -0.596 0.000 0.985 117 R HN 0.240 nan 8.270 nan 0.000 0.489 118 F N -0.203 119.752 119.950 0.008 0.000 2.817 118 F HA 0.352 4.879 4.527 0.000 0.000 0.333 118 F C 0.086 175.885 175.800 -0.001 0.000 1.085 118 F CA -0.678 57.327 58.000 0.009 0.000 1.170 118 F CB 0.685 39.704 39.000 0.031 0.000 1.066 118 F HN -0.285 nan 8.300 nan 0.000 0.564 119 E N 0.231 120.495 120.200 0.107 0.000 2.287 119 E HA 0.139 4.489 4.350 0.000 0.000 0.274 119 E C -0.810 175.793 176.600 0.005 0.000 0.896 119 E CA -0.317 56.114 56.400 0.052 0.000 0.788 119 E CB 2.149 31.866 29.700 0.029 0.000 1.244 119 E HN -0.134 nan 8.360 nan 0.000 0.408 120 S N 3.827 119.532 115.700 0.008 0.000 2.509 120 S HA 0.296 4.766 4.470 0.000 0.000 0.287 120 S C -0.138 174.454 174.600 -0.013 0.000 1.248 120 S CA 0.101 58.298 58.200 -0.004 0.000 1.089 120 S CB -0.196 63.005 63.200 0.001 0.000 0.900 120 S HN 0.374 nan 8.310 nan 0.000 0.496 121 L N 5.499 126.711 121.223 -0.017 0.000 2.434 121 L HA 0.520 4.860 4.340 0.000 0.000 0.260 121 L C -2.176 174.688 176.870 -0.010 0.000 0.983 121 L CA -2.264 52.566 54.840 -0.017 0.000 0.820 121 L CB 2.194 44.241 42.059 -0.021 0.000 1.361 121 L HN 0.477 nan 8.230 nan 0.000 0.410 122 P HA 0.112 nan 4.420 nan 0.000 0.271 122 P C -1.086 176.218 177.300 0.007 0.000 1.233 122 P CA -0.225 62.875 63.100 -0.001 0.000 0.789 122 P CB 0.414 32.113 31.700 -0.002 0.000 0.951 123 E N 0.947 121.153 120.200 0.010 0.000 3.568 123 E HA 0.204 4.554 4.350 0.000 0.000 0.213 123 E C 0.416 177.025 176.600 0.016 0.000 1.197 123 E CA -0.027 56.383 56.400 0.015 0.000 1.126 123 E CB 0.157 29.865 29.700 0.013 0.000 1.285 123 E HN 0.355 nan 8.360 nan 0.000 0.418 124 I N 0.679 121.260 120.570 0.019 0.000 2.385 124 I HA 0.010 4.180 4.170 0.000 0.000 0.244 124 I C 1.332 177.461 176.117 0.020 0.000 1.089 124 I CA 0.317 61.629 61.300 0.019 0.000 1.410 124 I CB 0.113 38.126 38.000 0.021 0.000 1.117 124 I HN 0.194 nan 8.210 nan 0.000 0.429 125 A N 1.331 124.165 122.820 0.023 0.000 2.520 125 A HA 0.020 4.340 4.320 0.000 0.000 0.235 125 A C 0.066 177.658 177.584 0.013 0.000 1.065 125 A CA 0.152 52.200 52.037 0.019 0.000 0.764 125 A CB 0.058 19.073 19.000 0.024 0.000 1.002 125 A HN 0.246 nan 8.150 nan 0.000 0.502 126 E N 0.080 120.282 120.200 0.004 0.000 2.319 126 E HA 0.256 4.606 4.350 0.000 0.000 0.268 126 E C -0.141 176.455 176.600 -0.005 0.000 1.050 126 E CA -0.015 56.385 56.400 0.001 0.000 0.878 126 E CB 0.855 30.553 29.700 -0.004 0.000 1.066 126 E HN 0.554 nan 8.360 nan 0.000 0.406 127 Q N 2.579 122.380 119.800 0.002 0.000 2.810 127 Q HA 0.082 4.422 4.340 0.000 0.000 0.236 127 Q C -0.464 175.531 176.000 -0.008 0.000 1.278 127 Q CA -0.261 55.545 55.803 0.005 0.000 1.065 127 Q CB 0.160 28.914 28.738 0.027 0.000 1.364 127 Q HN 0.487 nan 8.270 nan 0.000 0.570 128 D N 1.488 121.866 120.400 -0.037 0.000 2.354 128 D HA -0.023 4.617 4.640 0.000 0.000 0.209 128 D C 0.329 176.593 176.300 -0.059 0.000 1.015 128 D CA 0.185 54.159 54.000 -0.043 0.000 0.867 128 D CB 0.355 41.126 40.800 -0.050 0.000 0.933 128 D HN 0.379 nan 8.370 nan 0.000 0.520 129 I N 1.629 122.142 120.570 -0.094 0.000 2.304 129 I HA 0.109 4.279 4.170 0.000 0.000 0.291 129 I C -0.349 175.781 176.117 0.022 0.000 1.018 129 I CA -0.877 60.366 61.300 -0.095 0.000 1.260 129 I CB 2.178 40.031 38.000 -0.244 0.000 1.390 129 I HN -0.284 nan 8.210 nan 0.000 0.475 130 V N 8.460 128.415 119.914 0.068 0.000 2.313 130 V HA 0.272 4.392 4.120 0.000 0.000 0.252 130 V C -0.080 176.161 176.094 0.245 0.000 1.112 130 V CA -0.060 62.328 62.300 0.147 0.000 0.984 130 V CB 0.352 32.204 31.823 0.049 0.000 1.157 130 V HN 0.473 nan 8.190 nan 0.000 0.493 131 L N 7.378 128.781 121.223 0.300 0.000 2.482 131 L HA 0.641 4.981 4.340 0.000 0.000 0.263 131 L C -2.653 174.136 176.870 -0.134 0.000 0.957 131 L CA -1.722 53.203 54.840 0.142 0.000 0.836 131 L CB 3.469 45.555 42.059 0.044 0.000 1.324 131 L HN 0.322 nan 8.230 nan 0.000 0.406 132 P HA 0.145 nan 4.420 nan 0.000 0.269 132 P C -0.640 176.370 177.300 -0.483 0.000 1.215 132 P CA -0.148 62.313 63.100 -1.066 0.000 0.780 132 P CB 0.650 31.896 31.700 -0.756 0.000 0.898 133 D N 0.737 120.882 120.400 -0.425 0.000 2.224 133 D HA -0.011 4.629 4.640 0.000 0.000 0.205 133 D C 0.668 176.859 176.300 -0.182 0.000 0.965 133 D CA 1.557 55.440 54.000 -0.195 0.000 0.852 133 D CB 0.228 40.948 40.800 -0.133 0.000 0.947 133 D HN 0.322 nan 8.370 nan 0.000 0.494 134 M N 0.262 119.722 119.600 -0.233 0.000 2.267 134 M HA 0.475 4.955 4.480 0.000 0.000 0.289 134 M C -2.021 174.163 176.300 -0.193 0.000 1.043 134 M CA -0.532 54.646 55.300 -0.204 0.000 0.928 134 M CB 2.554 35.091 32.600 -0.105 0.000 1.613 134 M HN -0.194 nan 8.290 nan 0.000 0.450 135 A N 5.108 127.822 122.820 -0.177 0.000 2.646 135 A HA 0.689 5.009 4.320 0.000 0.000 0.312 135 A C -1.655 175.997 177.584 0.115 0.000 1.245 135 A CA -0.490 51.553 52.037 0.010 0.000 0.755 135 A CB 0.776 19.679 19.000 -0.162 0.000 1.132 135 A HN 0.569 nan 8.150 nan 0.000 0.458 136 V N 1.608 121.645 119.914 0.205 0.000 2.588 136 V HA 0.758 4.878 4.120 0.000 0.000 0.304 136 V C 0.730 176.815 176.094 -0.014 0.000 1.042 136 V CA -0.215 62.132 62.300 0.078 0.000 0.877 136 V CB 2.162 33.938 31.823 -0.079 0.000 0.996 136 V HN 0.997 nan 8.190 nan 0.000 0.425 137 G N 4.303 113.099 108.800 -0.007 0.000 2.412 137 G HA2 0.681 4.641 3.960 0.000 0.000 0.318 137 G HA3 0.681 4.641 3.960 0.000 0.000 0.318 137 G C -0.812 173.722 174.900 -0.611 0.000 1.146 137 G CA -0.522 44.275 45.100 -0.504 0.000 0.882 137 G HN 0.469 nan 8.290 nan 0.000 0.501 138 I N 1.216 121.344 120.570 -0.738 0.000 2.362 138 I HA 0.321 4.491 4.170 0.000 0.000 0.289 138 I C -1.100 174.703 176.117 -0.524 0.000 0.994 138 I CA -0.825 60.222 61.300 -0.422 0.000 1.158 138 I CB 1.142 39.027 38.000 -0.192 0.000 1.315 138 I HN 0.356 nan 8.210 nan 0.000 0.451 139 Y N 3.849 124.147 120.300 -0.003 0.000 2.393 139 Y HA 0.282 4.832 4.550 0.000 0.000 0.341 139 Y C 0.653 176.634 175.900 0.134 0.000 0.988 139 Y CA -0.981 57.133 58.100 0.022 0.000 1.078 139 Y CB 1.516 39.933 38.460 -0.072 0.000 1.203 139 Y HN 0.553 nan 8.280 nan 0.000 0.453 140 D N 0.590 121.226 120.400 0.392 0.000 2.501 140 D HA 0.048 4.688 4.640 0.000 0.000 0.226 140 D C -0.404 176.190 176.300 0.491 0.000 1.198 140 D CA -0.153 54.122 54.000 0.459 0.000 0.830 140 D CB -0.066 40.931 40.800 0.327 0.000 1.014 140 D HN 0.538 nan 8.370 nan 0.000 0.496 141 W N -0.290 121.130 121.300 0.200 0.000 3.018 141 W HA 0.768 5.428 4.660 0.000 0.000 0.352 141 W C -1.936 174.656 176.519 0.122 0.000 1.230 141 W CA -1.413 55.990 57.345 0.098 0.000 1.162 141 W CB 1.087 30.576 29.460 0.047 0.000 1.483 141 W HN -0.007 nan 8.180 nan 0.000 0.584 142 A N 1.291 124.129 122.820 0.031 0.000 2.583 142 A HA 0.639 4.959 4.320 0.000 0.000 0.292 142 A C -2.615 174.990 177.584 0.036 0.000 1.045 142 A CA -0.842 51.051 52.037 -0.240 0.000 0.672 142 A CB 1.626 20.639 19.000 0.023 0.000 1.283 142 A HN 1.034 nan 8.150 nan 0.000 0.419 143 L N 2.140 123.343 121.223 -0.033 0.000 2.325 143 L HA 0.739 5.079 4.340 0.000 0.000 0.281 143 L C -1.399 175.492 176.870 0.035 0.000 1.004 143 L CA -0.722 54.168 54.840 0.083 0.000 0.823 143 L CB 0.993 43.130 42.059 0.130 0.000 1.236 143 L HN 0.597 nan 8.230 nan 0.000 0.415 144 I N 5.939 126.545 120.570 0.059 0.000 2.404 144 I HA 0.383 4.554 4.170 0.000 0.000 0.293 144 I C -0.273 175.926 176.117 0.136 0.000 0.992 144 I CA -0.741 60.602 61.300 0.073 0.000 1.149 144 I CB 1.697 39.732 38.000 0.059 0.000 1.315 144 I HN 0.239 nan 8.210 nan 0.000 0.446 145 V N 4.943 124.939 119.914 0.137 0.000 2.370 145 V HA 0.282 4.402 4.120 0.000 0.000 0.283 145 V C -0.253 175.877 176.094 0.059 0.000 1.023 145 V CA -0.481 61.880 62.300 0.101 0.000 0.857 145 V CB 1.810 33.611 31.823 -0.036 0.000 0.985 145 V HN 0.638 nan 8.190 nan 0.000 0.443 146 D N 2.984 123.422 120.400 0.064 0.000 2.454 146 D HA 0.254 4.894 4.640 0.000 0.000 0.225 146 D C 0.940 177.063 176.300 -0.295 0.000 1.081 146 D CA -0.304 53.630 54.000 -0.109 0.000 0.864 146 D CB 0.690 41.489 40.800 -0.002 0.000 1.040 146 D HN 0.566 nan 8.370 nan 0.000 0.517 147 H N 1.921 120.892 119.070 -0.166 0.000 2.529 147 H HA -0.054 4.502 4.556 0.000 0.000 0.277 147 H C 1.421 176.538 175.328 -0.351 0.000 0.999 147 H CA 0.631 56.550 56.048 -0.216 0.000 1.256 147 H CB 0.639 30.369 29.762 -0.054 0.000 1.402 147 H HN 0.563 nan 8.280 nan 0.000 0.566 148 Q N 1.308 120.989 119.800 -0.198 0.000 2.165 148 Q HA -0.024 4.316 4.340 0.000 0.000 0.197 148 Q C 1.655 177.616 176.000 -0.065 0.000 0.952 148 Q CA 0.351 56.088 55.803 -0.111 0.000 0.848 148 Q CB 0.355 29.019 28.738 -0.124 0.000 0.931 148 Q HN 0.327 nan 8.270 nan 0.000 0.470 149 R N -0.869 119.552 120.500 -0.133 0.000 2.297 149 R HA 0.049 4.389 4.340 0.000 0.000 0.197 149 R C -0.444 175.747 176.300 -0.181 0.000 0.943 149 R CA 0.356 56.398 56.100 -0.097 0.000 1.038 149 R CB 0.075 30.331 30.300 -0.074 0.000 0.957 149 R HN 0.331 nan 8.270 nan 0.000 0.484 150 H N 0.105 118.751 119.070 -0.706 0.000 2.748 150 H HA -0.118 4.438 4.556 0.000 0.000 0.322 150 H C -1.027 173.705 175.328 -0.994 0.000 1.208 150 H CA 0.885 55.982 56.048 -1.585 0.000 1.151 150 H CB -1.725 27.165 29.762 -1.453 0.000 1.505 150 H HN 0.068 nan 8.280 nan 0.000 0.429 151 T N 0.094 114.391 114.554 -0.429 0.000 2.886 151 T HA 0.564 4.914 4.350 0.000 0.000 0.292 151 T C -0.025 174.846 174.700 0.285 0.000 1.012 151 T CA -0.728 61.385 62.100 0.023 0.000 0.982 151 T CB 2.375 71.249 68.868 0.009 0.000 1.018 151 T HN 0.060 nan 8.240 nan 0.000 0.451 152 V N 3.246 123.375 119.914 0.358 0.000 2.311 152 V HA 0.433 4.553 4.120 0.000 0.000 0.275 152 V C -0.021 176.181 176.094 0.179 0.000 1.022 152 V CA -0.508 61.970 62.300 0.296 0.000 0.830 152 V CB 1.190 33.215 31.823 0.337 0.000 1.012 152 V HN 0.958 nan 8.190 nan 0.000 0.452 153 S N 5.421 121.201 115.700 0.133 0.000 2.437 153 S HA 0.637 5.107 4.470 0.000 0.000 0.305 153 S C -0.540 174.104 174.600 0.073 0.000 1.109 153 S CA -0.410 57.844 58.200 0.090 0.000 1.099 153 S CB 1.464 64.707 63.200 0.071 0.000 1.004 153 S HN 0.581 nan 8.310 nan 0.000 0.475 154 L N 5.691 126.951 121.223 0.062 0.000 2.265 154 L HA 0.656 4.996 4.340 0.000 0.000 0.289 154 L C -1.071 175.845 176.870 0.075 0.000 1.033 154 L CA -0.580 54.312 54.840 0.087 0.000 0.814 154 L CB 0.556 42.647 42.059 0.054 0.000 1.203 154 L HN 0.586 nan 8.230 nan 0.000 0.423 155 L N 2.954 124.232 121.223 0.092 0.000 2.334 155 L HA 0.938 5.278 4.340 0.000 0.000 0.276 155 L C -0.281 176.626 176.870 0.061 0.000 1.014 155 L CA -0.260 54.592 54.840 0.020 0.000 0.815 155 L CB 1.869 43.895 42.059 -0.055 0.000 1.268 155 L HN 0.543 nan 8.230 nan 0.000 0.428 156 S N -0.016 115.674 115.700 -0.017 0.000 2.546 156 S HA 0.509 4.979 4.470 0.000 0.000 0.274 156 S C -0.062 174.477 174.600 -0.102 0.000 1.121 156 S CA -0.444 57.778 58.200 0.036 0.000 0.887 156 S CB 1.043 64.281 63.200 0.064 0.000 1.094 156 S HN 0.887 nan 8.310 nan 0.000 0.474 157 H N 2.062 121.185 119.070 0.088 0.000 2.553 157 H HA 0.337 4.893 4.556 0.000 0.000 0.265 157 H C 1.111 176.446 175.328 0.010 0.000 0.964 157 H CA 0.397 56.460 56.048 0.026 0.000 1.156 157 H CB 0.373 30.134 29.762 -0.001 0.000 1.411 157 H HN 0.485 nan 8.280 nan 0.000 0.558 158 N N -0.506 118.262 118.700 0.114 0.000 1.785 158 N HA -0.015 4.725 4.740 0.000 0.000 0.207 158 N C -0.531 174.985 175.510 0.012 0.000 1.228 158 N CA -0.150 52.930 53.050 0.050 0.000 0.988 158 N CB 0.576 39.082 38.487 0.033 0.000 1.281 158 N HN 0.069 nan 8.380 nan 0.000 0.374 159 D N 0.375 120.764 120.400 -0.018 0.000 2.381 159 D HA 0.099 4.739 4.640 0.000 0.000 0.235 159 D C 0.412 176.691 176.300 -0.035 0.000 1.068 159 D CA -0.344 53.642 54.000 -0.022 0.000 0.832 159 D CB 1.565 42.351 40.800 -0.024 0.000 1.101 159 D HN 0.175 nan 8.370 nan 0.000 0.515 160 V N 4.497 124.397 119.914 -0.022 0.000 2.667 160 V HA -0.160 3.960 4.120 0.000 0.000 0.252 160 V C 1.492 177.569 176.094 -0.029 0.000 1.065 160 V CA 1.420 63.705 62.300 -0.025 0.000 1.083 160 V CB -0.528 31.289 31.823 -0.011 0.000 0.692 160 V HN 0.487 nan 8.190 nan 0.000 0.468 161 N N 1.147 119.836 118.700 -0.019 0.000 2.058 161 N HA -0.104 4.636 4.740 0.000 0.000 0.191 161 N C 1.893 177.394 175.510 -0.015 0.000 1.037 161 N CA 1.887 54.930 53.050 -0.012 0.000 0.848 161 N CB -0.697 37.788 38.487 -0.004 0.000 1.021 161 N HN 0.531 nan 8.380 nan 0.000 0.422 162 A N 0.732 123.539 122.820 -0.022 0.000 1.908 162 A HA -0.145 4.175 4.320 0.000 0.000 0.218 162 A C 2.247 179.820 177.584 -0.018 0.000 1.181 162 A CA 1.699 53.728 52.037 -0.013 0.000 0.627 162 A CB -0.495 18.489 19.000 -0.027 0.000 0.818 162 A HN 0.190 nan 8.150 nan 0.000 0.445 163 R N 0.143 120.578 120.500 -0.108 0.000 2.091 163 R HA -0.120 4.220 4.340 0.000 0.000 0.238 163 R C 2.285 178.533 176.300 -0.085 0.000 1.136 163 R CA 2.041 58.011 56.100 -0.217 0.000 0.959 163 R CB -0.574 29.471 30.300 -0.424 0.000 0.856 163 R HN 0.585 nan 8.270 nan 0.000 0.437 164 R N -0.401 120.066 120.500 -0.054 0.000 2.081 164 R HA -0.059 4.281 4.340 0.000 0.000 0.235 164 R C 1.966 178.270 176.300 0.006 0.000 1.131 164 R CA 1.473 57.558 56.100 -0.025 0.000 0.960 164 R CB -0.395 29.900 30.300 -0.008 0.000 0.856 164 R HN 0.291 nan 8.270 nan 0.000 0.436 165 A N 0.573 123.406 122.820 0.021 0.000 1.883 165 A HA -0.231 4.089 4.320 0.000 0.000 0.217 165 A C 1.924 179.528 177.584 0.033 0.000 1.186 165 A CA 1.441 53.495 52.037 0.030 0.000 0.624 165 A CB -1.219 17.804 19.000 0.038 0.000 0.822 165 A HN 0.729 nan 8.150 nan 0.000 0.444 166 W N 0.527 121.758 121.300 -0.115 0.000 2.315 166 W HA -0.234 4.426 4.660 0.000 0.000 0.323 166 W C 1.961 178.418 176.519 -0.103 0.000 1.233 166 W CA 2.143 59.413 57.345 -0.125 0.000 1.267 166 W CB -0.472 28.864 29.460 -0.208 0.000 1.160 166 W HN 0.270 nan 8.180 nan 0.000 0.474 167 L N 0.699 121.906 121.223 -0.026 0.000 1.990 167 L HA -0.273 4.067 4.340 0.000 0.000 0.213 167 L C 2.760 179.529 176.870 -0.168 0.000 1.072 167 L CA 2.466 57.216 54.840 -0.151 0.000 0.755 167 L CB -1.147 40.893 42.059 -0.032 0.000 0.889 167 L HN 0.173 nan 8.230 nan 0.000 0.432 168 E N -0.394 119.765 120.200 -0.069 0.000 2.118 168 E HA -0.231 4.119 4.350 0.000 0.000 0.195 168 E C 2.016 178.579 176.600 -0.061 0.000 0.992 168 E CA 1.756 58.136 56.400 -0.033 0.000 0.804 168 E CB 0.025 29.726 29.700 0.000 0.000 0.741 168 E HN 0.358 nan 8.360 nan 0.000 0.458 169 S N 1.320 116.954 115.700 -0.111 0.000 2.453 169 S HA -0.119 4.351 4.470 0.000 0.000 0.231 169 S C 0.858 175.431 174.600 -0.045 0.000 1.005 169 S CA 0.620 58.781 58.200 -0.065 0.000 0.949 169 S CB -0.263 62.862 63.200 -0.125 0.000 0.774 169 S HN 0.496 nan 8.310 nan 0.000 0.510 170 Q N 1.499 121.183 119.800 -0.193 0.000 2.531 170 Q HA -0.228 4.112 4.340 0.000 0.000 0.388 170 Q C 0.560 176.525 176.000 -0.059 0.000 1.458 170 Q CA 0.861 56.543 55.803 -0.202 0.000 1.035 170 Q CB 0.284 28.913 28.738 -0.182 0.000 1.266 170 Q HN 0.299 nan 8.270 nan 0.000 0.494 171 Q N 1.912 121.605 119.800 -0.178 0.000 2.124 171 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 171 Q C 0.911 176.566 176.000 -0.575 0.000 0.977 171 Q CA 1.380 56.995 55.803 -0.312 0.000 0.850 171 Q CB -0.822 27.792 28.738 -0.207 0.000 0.901 171 Q HN 0.836 nan 8.270 nan 0.000 0.429 172 F N 0.375 120.270 119.950 -0.091 0.000 2.925 172 F HA -0.263 4.264 4.527 0.000 0.000 0.239 172 F C -0.200 175.584 175.800 -0.027 0.000 1.009 172 F CA 0.709 58.663 58.000 -0.077 0.000 0.847 172 F CB -2.828 36.129 39.000 -0.072 0.000 0.719 172 F HN 0.077 nan 8.300 nan 0.000 0.826 173 S N -3.735 112.000 115.700 0.058 0.000 2.725 173 S HA 0.213 4.683 4.470 0.000 0.000 0.196 173 S C -1.326 173.301 174.600 0.045 0.000 0.803 173 S CA -0.182 58.071 58.200 0.089 0.000 1.452 173 S CB -0.266 63.002 63.200 0.114 0.000 1.273 173 S HN 0.614 nan 8.310 nan 0.000 0.575 174 P HA 0.759 nan 4.420 nan 0.000 0.323 174 P C -1.428 175.919 177.300 0.078 0.000 1.309 174 P CA -0.254 62.868 63.100 0.036 0.000 0.739 174 P CB 0.248 31.957 31.700 0.015 0.000 1.454 175 Q N -1.425 118.427 119.800 0.087 0.000 3.429 175 Q HA 0.215 4.555 4.340 0.000 0.000 0.190 175 Q C -1.294 174.776 176.000 0.117 0.000 0.807 175 Q CA -0.131 55.740 55.803 0.115 0.000 0.854 175 Q CB 0.077 28.873 28.738 0.097 0.000 1.481 175 Q HN 0.349 nan 8.270 nan 0.000 0.463 176 E N 1.863 122.154 120.200 0.153 0.000 2.324 176 E HA 0.190 4.540 4.350 0.000 0.000 0.271 176 E C -0.596 176.103 176.600 0.164 0.000 1.028 176 E CA -0.083 56.411 56.400 0.158 0.000 0.890 176 E CB 1.022 30.851 29.700 0.216 0.000 1.004 176 E HN 0.324 nan 8.360 nan 0.000 0.431 177 D N 2.193 122.668 120.400 0.125 0.000 2.175 177 D HA 0.140 4.780 4.640 0.000 0.000 0.248 177 D C -0.758 175.645 176.300 0.171 0.000 1.047 177 D CA -0.429 53.653 54.000 0.135 0.000 0.883 177 D CB 1.041 41.892 40.800 0.085 0.000 1.180 177 D HN 0.286 nan 8.370 nan 0.000 0.438 178 F N 1.656 121.652 119.950 0.077 0.000 2.427 178 F HA 0.268 4.795 4.527 0.000 0.000 0.352 178 F C 0.242 176.081 175.800 0.065 0.000 1.100 178 F CA 0.359 58.412 58.000 0.089 0.000 1.191 178 F CB 1.088 40.117 39.000 0.048 0.000 1.128 178 F HN 0.034 nan 8.300 nan 0.000 0.533 179 T N 6.986 121.180 114.554 -0.600 0.000 3.012 179 T HA 0.395 4.745 4.350 0.000 0.000 0.330 179 T C -1.152 173.193 174.700 -0.593 0.000 1.321 179 T CA -0.759 61.095 62.100 -0.411 0.000 1.067 179 T CB 0.637 69.407 68.868 -0.164 0.000 1.235 179 T HN 0.577 nan 8.240 nan 0.000 0.479 180 L N 3.661 124.651 121.223 -0.388 0.000 2.371 180 L HA 0.449 4.789 4.340 0.000 0.000 0.272 180 L C 1.462 178.180 176.870 -0.252 0.000 1.124 180 L CA -0.247 54.391 54.840 -0.335 0.000 0.816 180 L CB 1.412 43.284 42.059 -0.311 0.000 1.129 180 L HN 0.958 nan 8.230 nan 0.000 0.448 181 T N -2.833 111.571 114.554 -0.251 0.000 3.200 181 T HA 0.274 4.624 4.350 0.000 0.000 0.284 181 T C 0.077 174.665 174.700 -0.186 0.000 1.009 181 T CA -0.085 61.901 62.100 -0.191 0.000 0.907 181 T CB 0.068 68.831 68.868 -0.175 0.000 1.120 181 T HN 0.624 nan 8.240 nan 0.000 0.534 182 S N -0.333 115.222 115.700 -0.241 0.000 2.636 182 S HA 0.565 5.035 4.470 0.000 0.000 0.268 182 S C -1.976 172.463 174.600 -0.268 0.000 1.159 182 S CA -0.983 57.085 58.200 -0.220 0.000 0.815 182 S CB 1.267 64.331 63.200 -0.226 0.000 1.130 182 S HN 0.071 nan 8.310 nan 0.000 0.471 183 D N 0.015 120.307 120.400 -0.180 0.000 2.383 183 D HA 0.310 4.950 4.640 0.000 0.000 0.248 183 D C -0.616 175.574 176.300 -0.183 0.000 1.170 183 D CA -0.058 53.860 54.000 -0.136 0.000 0.977 183 D CB 0.237 41.033 40.800 -0.008 0.000 1.120 183 D HN 0.609 nan 8.370 nan 0.000 0.481 184 W N 0.459 121.703 121.300 -0.093 0.000 2.202 184 W HA 0.253 4.913 4.660 -0.000 0.000 0.332 184 W C 0.859 177.351 176.519 -0.044 0.000 1.263 184 W CA -0.187 57.093 57.345 -0.110 0.000 1.223 184 W CB 0.585 29.972 29.460 -0.122 0.000 1.128 184 W HN 0.075 nan 8.180 nan 0.000 0.573 185 Q N 2.092 122.035 119.800 0.239 0.000 2.345 185 Q HA 0.357 4.697 4.340 0.000 0.000 0.275 185 Q C -0.603 175.636 176.000 0.399 0.000 1.063 185 Q CA -0.607 55.356 55.803 0.266 0.000 0.819 185 Q CB 2.274 31.108 28.738 0.160 0.000 1.356 185 Q HN 0.470 nan 8.270 nan 0.000 0.418 186 S N 1.248 117.170 115.700 0.370 0.000 2.652 186 S HA 0.192 4.662 4.470 0.000 0.000 0.270 186 S C 0.816 175.506 174.600 0.149 0.000 1.243 186 S CA -0.114 58.203 58.200 0.195 0.000 0.999 186 S CB 0.577 63.821 63.200 0.074 0.000 0.973 186 S HN 0.822 nan 8.310 nan 0.000 0.544 187 N N 1.576 120.295 118.700 0.032 0.000 2.412 187 N HA 0.063 4.803 4.740 0.000 0.000 0.184 187 N C 0.146 175.687 175.510 0.051 0.000 1.101 187 N CA 0.366 53.443 53.050 0.045 0.000 0.881 187 N CB -0.552 37.933 38.487 -0.002 0.000 0.969 187 N HN 0.735 nan 8.380 nan 0.000 0.459 188 M N -1.104 118.536 119.600 0.067 0.000 2.457 188 M HA 0.486 4.966 4.480 0.000 0.000 0.300 188 M C -0.533 175.880 176.300 0.188 0.000 1.141 188 M CA -0.981 54.393 55.300 0.123 0.000 0.901 188 M CB 2.061 34.755 32.600 0.156 0.000 1.687 188 M HN -0.098 nan 8.290 nan 0.000 0.449 189 T N -1.554 113.094 114.554 0.158 0.000 2.726 189 T HA 0.325 4.675 4.350 0.000 0.000 0.294 189 T C 1.111 175.883 174.700 0.121 0.000 1.013 189 T CA -0.570 61.617 62.100 0.146 0.000 0.996 189 T CB 1.217 70.136 68.868 0.084 0.000 1.016 189 T HN 0.760 nan 8.240 nan 0.000 0.529 190 R N 0.609 121.111 120.500 0.003 0.000 2.073 190 R HA -0.106 4.234 4.340 0.000 0.000 0.234 190 R C 2.323 178.528 176.300 -0.157 0.000 1.134 190 R CA 1.911 57.830 56.100 -0.302 0.000 0.952 190 R CB -0.733 29.360 30.300 -0.344 0.000 0.850 190 R HN 0.802 nan 8.270 nan 0.000 0.433 191 E N 0.358 120.523 120.200 -0.059 0.000 2.058 191 E HA -0.198 4.152 4.350 0.000 0.000 0.194 191 E C 2.158 178.767 176.600 0.014 0.000 0.997 191 E CA 1.388 57.774 56.400 -0.023 0.000 0.801 191 E CB -0.163 29.532 29.700 -0.008 0.000 0.746 191 E HN 0.395 nan 8.360 nan 0.000 0.450 192 Q N -0.737 119.091 119.800 0.047 0.000 2.124 192 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 192 Q C 1.913 177.975 176.000 0.102 0.000 0.977 192 Q CA 1.387 57.231 55.803 0.068 0.000 0.850 192 Q CB -0.243 28.545 28.738 0.082 0.000 0.901 192 Q HN 0.365 nan 8.270 nan 0.000 0.429 193 Y N 0.704 121.020 120.300 0.025 0.000 2.181 193 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 193 Y C 2.173 178.119 175.900 0.077 0.000 1.146 193 Y CA 1.663 59.812 58.100 0.082 0.000 1.164 193 Y CB -0.639 37.903 38.460 0.138 0.000 0.982 193 Y HN 0.078 nan 8.280 nan 0.000 0.515 194 G N 0.032 108.851 108.800 0.032 0.000 2.440 194 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 194 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 194 G C 1.530 176.428 174.900 -0.003 0.000 1.154 194 G CA 1.107 46.200 45.100 -0.012 0.000 0.767 194 G HN 0.367 nan 8.290 nan 0.000 0.552 195 E N 0.860 121.054 120.200 -0.009 0.000 2.106 195 E HA -0.069 4.281 4.350 0.000 0.000 0.192 195 E C 2.546 179.127 176.600 -0.032 0.000 0.984 195 E CA 0.731 57.124 56.400 -0.011 0.000 0.806 195 E CB -0.198 29.496 29.700 -0.010 0.000 0.750 195 E HN 0.475 nan 8.360 nan 0.000 0.458 196 K N 0.118 120.483 120.400 -0.058 0.000 2.026 196 K HA -0.124 4.196 4.320 0.000 0.000 0.208 196 K C 2.167 178.703 176.600 -0.105 0.000 1.048 196 K CA 0.966 57.207 56.287 -0.077 0.000 0.929 196 K CB -0.424 32.025 32.500 -0.085 0.000 0.713 196 K HN 0.086 nan 8.250 nan 0.000 0.439 197 F N 2.644 122.406 119.950 -0.314 0.000 2.126 197 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 197 F C 2.603 178.327 175.800 -0.127 0.000 1.096 197 F CA 1.515 59.343 58.000 -0.285 0.000 1.255 197 F CB -0.056 38.724 39.000 -0.366 0.000 0.997 197 F HN -0.108 nan 8.300 nan 0.000 0.479 198 R N 0.191 120.717 120.500 0.044 0.000 2.090 198 R HA -0.144 4.197 4.340 0.000 0.000 0.228 198 R C 2.114 178.340 176.300 -0.122 0.000 1.110 198 R CA 1.665 57.757 56.100 -0.012 0.000 0.973 198 R CB -0.388 29.929 30.300 0.029 0.000 0.869 198 R HN 0.428 nan 8.270 nan 0.000 0.440 199 Q N 0.178 119.904 119.800 -0.124 0.000 2.172 199 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 199 Q C 2.206 178.099 176.000 -0.178 0.000 0.964 199 Q CA 1.566 57.256 55.803 -0.188 0.000 0.855 199 Q CB 0.136 28.796 28.738 -0.131 0.000 0.918 199 Q HN 0.358 nan 8.270 nan 0.000 0.444 200 V N -1.015 118.812 119.914 -0.144 0.000 2.488 200 V HA -0.175 3.945 4.120 0.000 0.000 0.246 200 V C 1.911 177.898 176.094 -0.178 0.000 1.046 200 V CA 1.154 63.410 62.300 -0.073 0.000 1.053 200 V CB -0.235 31.526 31.823 -0.104 0.000 0.679 200 V HN 0.195 nan 8.190 nan 0.000 0.458 201 Q N 0.911 120.506 119.800 -0.342 0.000 2.152 201 Q HA -0.221 4.119 4.340 0.000 0.000 0.206 201 Q C 2.252 178.188 176.000 -0.105 0.000 0.985 201 Q CA 2.538 58.178 55.803 -0.272 0.000 0.863 201 Q CB -0.452 28.154 28.738 -0.221 0.000 0.904 201 Q HN 0.835 nan 8.270 nan 0.000 0.422 202 E N -0.796 119.333 120.200 -0.118 0.000 2.072 202 E HA -0.174 4.176 4.350 0.000 0.000 0.191 202 E C 1.889 178.453 176.600 -0.060 0.000 0.985 202 E CA 0.731 57.078 56.400 -0.088 0.000 0.801 202 E CB -0.225 29.344 29.700 -0.220 0.000 0.750 202 E HN 0.357 nan 8.360 nan 0.000 0.452 203 Y N 0.775 121.019 120.300 -0.093 0.000 2.207 203 Y HA -0.191 4.360 4.550 0.000 0.000 0.287 203 Y C 2.202 178.010 175.900 -0.152 0.000 1.156 203 Y CA 0.644 58.678 58.100 -0.111 0.000 1.182 203 Y CB -0.439 37.949 38.460 -0.121 0.000 0.979 203 Y HN 0.041 nan 8.280 nan 0.000 0.521 204 L N -0.789 120.401 121.223 -0.055 0.000 2.131 204 L HA -0.200 4.140 4.340 0.000 0.000 0.210 204 L C 1.176 177.868 176.870 -0.298 0.000 1.092 204 L CA 1.710 56.406 54.840 -0.240 0.000 0.759 204 L CB -0.755 41.068 42.059 -0.393 0.000 0.903 204 L HN 0.277 nan 8.230 nan 0.000 0.435 205 H N -1.753 117.327 119.070 0.017 0.000 2.533 205 H HA 0.420 4.977 4.556 0.000 0.000 0.281 205 H C 0.666 176.009 175.328 0.024 0.000 1.238 205 H CA 0.576 56.638 56.048 0.022 0.000 1.024 205 H CB 0.240 30.006 29.762 0.006 0.000 1.604 205 H HN 0.243 nan 8.280 nan 0.000 0.531 206 S N -1.898 113.862 115.700 0.100 0.000 2.483 206 S HA 0.118 4.588 4.470 0.000 0.000 0.280 206 S C 1.328 175.957 174.600 0.048 0.000 1.059 206 S CA -0.028 58.217 58.200 0.074 0.000 1.359 206 S CB 0.954 64.207 63.200 0.088 0.000 1.171 206 S HN 0.499 nan 8.310 nan 0.000 0.625 207 G N 2.672 111.488 108.800 0.027 0.000 2.195 207 G HA2 -0.252 3.708 3.960 0.000 0.000 0.256 207 G HA3 -0.252 3.708 3.960 0.000 0.000 0.256 207 G C 0.017 174.860 174.900 -0.094 0.000 0.817 207 G CA 0.805 45.892 45.100 -0.021 0.000 1.235 207 G HN 0.449 nan 8.290 nan 0.000 0.358 208 D N -0.263 120.043 120.400 -0.156 0.000 2.085 208 D HA 0.091 4.731 4.640 0.000 0.000 0.199 208 D C 1.420 177.490 176.300 -0.383 0.000 0.981 208 D CA 1.481 55.360 54.000 -0.202 0.000 0.834 208 D CB 0.205 40.895 40.800 -0.183 0.000 0.992 208 D HN 0.521 nan 8.370 nan 0.000 0.457 209 C N -1.225 117.779 119.300 -0.493 0.000 2.994 209 C HA 0.357 4.817 4.460 0.000 0.000 0.304 209 C C 0.026 174.555 174.990 -0.768 0.000 1.273 209 C CA -0.784 57.827 59.018 -0.680 0.000 1.537 209 C CB 0.873 28.407 27.740 -0.344 0.000 2.001 209 C HN 0.318 nan 8.230 nan 0.000 0.471 210 Y N -0.039 120.229 120.300 -0.052 0.000 2.535 210 Y HA 0.320 4.870 4.550 0.000 0.000 0.266 210 Y C 0.918 176.789 175.900 -0.049 0.000 1.088 210 Y CA 0.170 58.239 58.100 -0.051 0.000 1.285 210 Y CB 0.110 38.551 38.460 -0.031 0.000 1.166 210 Y HN 0.660 nan 8.280 nan 0.000 0.525 211 Q N 0.478 120.289 119.800 0.018 0.000 2.320 211 Q HA 0.646 4.986 4.340 0.000 0.000 0.272 211 Q C -2.241 173.743 176.000 -0.027 0.000 1.023 211 Q CA -0.632 55.180 55.803 0.016 0.000 0.855 211 Q CB 2.588 31.362 28.738 0.060 0.000 1.367 211 Q HN -0.073 nan 8.270 nan 0.000 0.406 212 V N 3.158 123.059 119.914 -0.021 0.000 2.623 212 V HA 0.339 4.459 4.120 0.000 0.000 0.304 212 V C -0.689 175.417 176.094 0.019 0.000 1.054 212 V CA -0.988 61.300 62.300 -0.020 0.000 0.882 212 V CB 1.817 33.615 31.823 -0.042 0.000 1.002 212 V HN 0.794 nan 8.190 nan 0.000 0.424 213 N N 3.830 122.546 118.700 0.026 0.000 2.402 213 N HA 0.301 5.041 4.740 0.000 0.000 0.252 213 N C -0.886 174.673 175.510 0.083 0.000 1.118 213 N CA -0.209 52.875 53.050 0.057 0.000 0.945 213 N CB 0.852 39.358 38.487 0.033 0.000 1.147 213 N HN 0.641 nan 8.380 nan 0.000 0.495 214 L N 3.466 124.763 121.223 0.124 0.000 2.275 214 L HA 0.746 5.086 4.340 0.000 0.000 0.288 214 L C -0.505 176.474 176.870 0.182 0.000 1.046 214 L CA -0.496 54.431 54.840 0.144 0.000 0.805 214 L CB 0.723 42.884 42.059 0.170 0.000 1.193 214 L HN 0.590 nan 8.230 nan 0.000 0.426 215 A N 4.903 127.792 122.820 0.115 0.000 2.356 215 A HA 0.713 5.033 4.320 0.000 0.000 0.323 215 A C -0.735 176.763 177.584 -0.144 0.000 1.119 215 A CA -0.620 51.415 52.037 -0.003 0.000 0.790 215 A CB 1.118 20.089 19.000 -0.047 0.000 1.273 215 A HN 0.739 nan 8.150 nan 0.000 0.452 216 Q N 0.104 119.700 119.800 -0.339 0.000 2.257 216 Q HA 0.498 4.838 4.340 0.000 0.000 0.262 216 Q C -0.611 174.934 176.000 -0.759 0.000 0.997 216 Q CA -0.626 54.879 55.803 -0.497 0.000 0.873 216 Q CB 2.138 30.466 28.738 -0.685 0.000 1.312 216 Q HN 0.683 nan 8.270 nan 0.000 0.450 217 R N 2.084 122.204 120.500 -0.634 0.000 2.393 217 R HA 0.400 4.740 4.340 0.000 0.000 0.315 217 R C -1.540 174.542 176.300 -0.364 0.000 0.952 217 R CA -0.341 55.459 56.100 -0.499 0.000 0.842 217 R CB 0.663 30.832 30.300 -0.219 0.000 1.163 217 R HN 0.356 nan 8.270 nan 0.000 0.450 218 F N 3.551 123.489 119.950 -0.021 0.000 2.421 218 F HA 0.358 4.885 4.527 0.000 0.000 0.337 218 F C 0.383 176.393 175.800 0.351 0.000 1.105 218 F CA -0.407 57.648 58.000 0.091 0.000 1.049 218 F CB 1.370 40.280 39.000 -0.150 0.000 1.139 218 F HN 0.634 nan 8.300 nan 0.000 0.479 219 H N 0.579 119.921 119.070 0.454 0.000 2.930 219 H HA 0.914 5.470 4.556 0.000 0.000 0.371 219 H C -1.795 173.580 175.328 0.077 0.000 1.169 219 H CA -1.005 55.165 56.048 0.202 0.000 1.157 219 H CB 1.695 31.468 29.762 0.018 0.000 1.789 219 H HN 0.845 nan 8.280 nan 0.000 0.547 220 A N 1.681 124.115 122.820 -0.642 0.000 2.593 220 A HA 0.670 4.990 4.320 0.000 0.000 0.290 220 A C -0.402 176.917 177.584 -0.442 0.000 1.126 220 A CA -0.383 51.200 52.037 -0.757 0.000 0.695 220 A CB 1.160 19.443 19.000 -1.196 0.000 1.290 220 A HN 1.193 nan 8.150 nan 0.000 0.414 221 T N -1.460 112.890 114.554 -0.341 0.000 2.944 221 T HA 0.814 5.164 4.350 0.000 0.000 0.284 221 T C -0.506 174.085 174.700 -0.181 0.000 1.010 221 T CA -0.138 61.847 62.100 -0.191 0.000 1.025 221 T CB 1.202 69.976 68.868 -0.157 0.000 1.079 221 T HN 1.815 nan 8.240 nan 0.000 0.516 222 Y N -1.133 118.999 120.300 -0.280 0.000 2.638 222 Y HA 0.737 5.287 4.550 0.000 0.000 0.335 222 Y C -0.909 174.802 175.900 -0.315 0.000 1.155 222 Y CA -1.037 56.816 58.100 -0.412 0.000 1.046 222 Y CB 0.972 39.068 38.460 -0.607 0.000 1.303 222 Y HN 1.023 nan 8.280 nan 0.000 0.460 223 S N 0.820 116.352 115.700 -0.280 0.000 2.632 223 S HA 0.967 5.437 4.470 0.000 0.000 0.289 223 S C 0.010 174.599 174.600 -0.018 0.000 1.115 223 S CA -0.353 57.733 58.200 -0.191 0.000 0.889 223 S CB 1.324 64.432 63.200 -0.154 0.000 1.116 223 S HN 2.587 nan 8.310 nan 0.000 0.486 224 G N 0.921 109.780 108.800 0.097 0.000 2.587 224 G HA2 -0.029 3.931 3.960 0.000 0.000 0.212 224 G HA3 -0.029 3.931 3.960 0.000 0.000 0.212 224 G C -1.209 173.919 174.900 0.381 0.000 1.327 224 G CA -0.139 45.075 45.100 0.190 0.000 0.898 224 G HN 0.982 nan 8.290 nan 0.000 0.551 225 D N 0.759 121.402 120.400 0.404 0.000 2.336 225 D HA 0.482 5.122 4.640 0.000 0.000 0.249 225 D C 1.604 178.183 176.300 0.465 0.000 1.213 225 D CA -0.180 54.087 54.000 0.445 0.000 0.870 225 D CB 1.040 42.063 40.800 0.372 0.000 1.076 225 D HN 0.392 nan 8.370 nan 0.000 0.483 226 E N 2.942 123.422 120.200 0.466 0.000 2.209 226 E HA -0.158 4.192 4.350 0.000 0.000 0.196 226 E C 1.643 178.454 176.600 0.351 0.000 0.993 226 E CA 0.667 57.264 56.400 0.329 0.000 0.819 226 E CB -0.109 29.789 29.700 0.330 0.000 0.745 226 E HN 0.671 nan 8.360 nan 0.000 0.477 227 W N 1.358 122.743 121.300 0.142 0.000 2.363 227 W HA -0.244 4.416 4.660 0.000 0.000 0.296 227 W C 1.120 177.624 176.519 -0.025 0.000 1.212 227 W CA 1.188 58.419 57.345 -0.190 0.000 1.260 227 W CB 0.118 29.380 29.460 -0.330 0.000 1.131 227 W HN 0.109 nan 8.180 nan 0.000 0.530 228 Q N 0.626 120.368 119.800 -0.096 0.000 2.079 228 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 228 Q C 2.471 178.334 176.000 -0.227 0.000 0.974 228 Q CA 1.914 57.622 55.803 -0.157 0.000 0.840 228 Q CB -1.353 27.422 28.738 0.062 0.000 0.898 228 Q HN 0.383 nan 8.270 nan 0.000 0.430 229 A N 0.524 123.177 122.820 -0.278 0.000 1.902 229 A HA -0.166 4.154 4.320 0.000 0.000 0.217 229 A C 1.984 179.369 177.584 -0.331 0.000 1.181 229 A CA 1.247 52.952 52.037 -0.552 0.000 0.623 229 A CB -0.870 17.273 19.000 -1.427 0.000 0.818 229 A HN 0.342 nan 8.150 nan 0.000 0.443 230 F N 0.624 120.373 119.950 -0.336 0.000 2.126 230 F HA -0.164 4.363 4.527 0.000 0.000 0.299 230 F C 1.825 177.370 175.800 -0.426 0.000 1.096 230 F CA 1.793 59.627 58.000 -0.277 0.000 1.255 230 F CB -0.259 38.667 39.000 -0.122 0.000 0.997 230 F HN 0.148 nan 8.300 nan 0.000 0.479 231 L N 0.297 121.148 121.223 -0.621 0.000 2.046 231 L HA -0.237 4.103 4.340 0.000 0.000 0.208 231 L C 2.710 179.321 176.870 -0.431 0.000 1.077 231 L CA 1.701 56.188 54.840 -0.588 0.000 0.747 231 L CB -0.924 40.831 42.059 -0.506 0.000 0.896 231 L HN 0.311 nan 8.230 nan 0.000 0.432 232 Q N 0.002 119.597 119.800 -0.342 0.000 2.137 232 Q HA -0.130 4.210 4.340 0.000 0.000 0.198 232 Q C 2.241 178.082 176.000 -0.264 0.000 0.960 232 Q CA 1.175 56.833 55.803 -0.242 0.000 0.847 232 Q CB -0.437 28.204 28.738 -0.161 0.000 0.915 232 Q HN 0.482 nan 8.270 nan 0.000 0.448 233 L N 1.319 122.346 121.223 -0.326 0.000 2.201 233 L HA -0.137 4.203 4.340 0.000 0.000 0.212 233 L C 2.351 179.001 176.870 -0.368 0.000 1.105 233 L CA 0.950 55.609 54.840 -0.302 0.000 0.775 233 L CB -0.534 41.356 42.059 -0.282 0.000 0.913 233 L HN 0.271 nan 8.230 nan 0.000 0.440 234 N N 0.212 118.562 118.700 -0.584 0.000 2.171 234 N HA -0.182 4.558 4.740 0.000 0.000 0.184 234 N C 1.917 177.277 175.510 -0.249 0.000 1.021 234 N CA 1.340 54.057 53.050 -0.555 0.000 0.854 234 N CB 0.066 38.062 38.487 -0.818 0.000 0.994 234 N HN 0.226 nan 8.380 nan 0.000 0.426 235 Q N -0.294 119.367 119.800 -0.231 0.000 2.167 235 Q HA 0.187 4.527 4.340 0.000 0.000 0.202 235 Q C 1.734 177.670 176.000 -0.107 0.000 0.970 235 Q CA 1.394 57.125 55.803 -0.120 0.000 0.855 235 Q CB -0.226 28.426 28.738 -0.143 0.000 0.911 235 Q HN 0.447 nan 8.270 nan 0.000 0.438 236 A N 0.033 122.773 122.820 -0.134 0.000 2.167 236 A HA -0.046 4.274 4.320 0.000 0.000 0.214 236 A C 1.428 178.966 177.584 -0.077 0.000 1.151 236 A CA 0.976 52.955 52.037 -0.097 0.000 0.735 236 A CB 0.045 18.985 19.000 -0.099 0.000 0.802 236 A HN 0.284 nan 8.150 nan 0.000 0.467 237 N N -1.154 117.495 118.700 -0.086 0.000 2.503 237 N HA 0.031 4.771 4.740 0.000 0.000 0.210 237 N C -0.381 175.113 175.510 -0.027 0.000 1.077 237 N CA 0.094 53.111 53.050 -0.056 0.000 0.855 237 N CB 0.302 38.745 38.487 -0.072 0.000 1.323 237 N HN 0.281 nan 8.380 nan 0.000 0.452 238 R N 0.891 121.374 120.500 -0.028 0.000 3.333 238 R HA -0.146 4.194 4.340 0.000 0.000 0.256 238 R C -0.465 175.843 176.300 0.012 0.000 1.010 238 R CA 0.451 56.565 56.100 0.023 0.000 0.680 238 R CB -2.294 28.035 30.300 0.048 0.000 1.102 238 R HN 0.211 nan 8.270 nan 0.000 0.440 239 A N 1.304 124.129 122.820 0.007 0.000 2.320 239 A HA 0.484 4.804 4.320 0.000 0.000 0.287 239 A C -0.862 176.733 177.584 0.019 0.000 1.181 239 A CA -1.437 50.620 52.037 0.032 0.000 0.831 239 A CB 0.596 19.629 19.000 0.055 0.000 1.102 239 A HN -0.012 nan 8.150 nan 0.000 0.513 240 P HA -0.076 nan 4.420 nan 0.000 0.225 240 P C 0.110 177.133 177.300 -0.461 0.000 1.148 240 P CA 1.250 64.230 63.100 -0.200 0.000 0.779 240 P CB 0.032 31.645 31.700 -0.145 0.000 0.780 241 F N -0.393 119.557 119.950 0.001 0.000 2.908 241 F HA 0.245 4.772 4.527 0.000 0.000 0.328 241 F C 0.932 176.774 175.800 0.069 0.000 1.211 241 F CA -0.400 57.611 58.000 0.019 0.000 1.291 241 F CB 0.050 39.037 39.000 -0.021 0.000 0.962 241 F HN -0.280 nan 8.300 nan 0.000 0.505 242 S N 1.060 116.856 115.700 0.160 0.000 2.624 242 S HA 0.807 5.277 4.470 0.000 0.000 0.263 242 S C 0.139 174.882 174.600 0.237 0.000 1.287 242 S CA -0.332 58.012 58.200 0.240 0.000 0.990 242 S CB 1.387 64.755 63.200 0.279 0.000 0.950 242 S HN 0.353 nan 8.310 nan 0.000 0.561 243 A N 0.764 123.752 122.820 0.280 0.000 2.605 243 A HA 0.682 5.002 4.320 0.000 0.000 0.294 243 A C -1.902 175.609 177.584 -0.122 0.000 1.062 243 A CA -0.618 51.462 52.037 0.072 0.000 0.682 243 A CB 0.927 19.947 19.000 0.033 0.000 1.278 243 A HN 0.643 nan 8.150 nan 0.000 0.410 244 F N 1.801 121.451 119.950 -0.500 0.000 2.499 244 F HA 0.727 5.254 4.527 0.000 0.000 0.333 244 F C -1.258 174.388 175.800 -0.256 0.000 1.138 244 F CA -0.694 56.977 58.000 -0.549 0.000 0.945 244 F CB 1.227 39.806 39.000 -0.701 0.000 1.181 244 F HN 0.495 nan 8.300 nan 0.000 0.435 245 L N 5.605 126.532 121.223 -0.493 0.000 2.346 245 L HA 0.604 4.944 4.340 0.000 0.000 0.276 245 L C -0.623 176.035 176.870 -0.354 0.000 1.006 245 L CA -1.157 53.521 54.840 -0.270 0.000 0.817 245 L CB 1.908 43.850 42.059 -0.195 0.000 1.272 245 L HN 0.469 nan 8.230 nan 0.000 0.421 246 R N 3.380 123.824 120.500 -0.094 0.000 2.215 246 R HA 0.641 4.981 4.340 0.000 0.000 0.336 246 R C -1.288 174.888 176.300 -0.208 0.000 0.996 246 R CA -0.111 55.926 56.100 -0.105 0.000 0.847 246 R CB 0.368 30.716 30.300 0.081 0.000 1.127 246 R HN 0.582 nan 8.270 nan 0.000 0.465 247 L N 3.305 124.361 121.223 -0.278 0.000 2.365 247 L HA 0.416 4.756 4.340 0.000 0.000 0.267 247 L C 1.259 177.911 176.870 -0.364 0.000 1.033 247 L CA -0.870 53.691 54.840 -0.465 0.000 0.802 247 L CB 1.521 43.345 42.059 -0.392 0.000 1.267 247 L HN 0.693 nan 8.230 nan 0.000 0.457 248 E N -0.009 119.925 120.200 -0.443 0.000 2.204 248 E HA -0.219 4.131 4.350 0.000 0.000 0.195 248 E C 1.333 177.893 176.600 -0.068 0.000 0.990 248 E CA 1.147 57.438 56.400 -0.181 0.000 0.821 248 E CB 0.040 29.685 29.700 -0.091 0.000 0.750 248 E HN 0.573 nan 8.360 nan 0.000 0.477 249 Q N -0.136 119.622 119.800 -0.070 0.000 2.376 249 Q HA 0.189 4.529 4.340 0.000 0.000 0.206 249 Q C 0.742 176.760 176.000 0.031 0.000 0.921 249 Q CA 0.827 56.641 55.803 0.018 0.000 0.911 249 Q CB 1.305 30.084 28.738 0.069 0.000 1.032 249 Q HN 0.255 nan 8.270 nan 0.000 0.510 250 G N -1.057 107.739 108.800 -0.008 0.000 2.348 250 G HA2 0.604 4.564 3.960 0.000 0.000 0.296 250 G HA3 0.604 4.564 3.960 0.000 0.000 0.296 250 G C -1.829 173.054 174.900 -0.028 0.000 1.258 250 G CA -0.366 44.762 45.100 0.048 0.000 0.868 250 G HN 0.109 nan 8.290 nan 0.000 0.488 251 A N -0.342 122.464 122.820 -0.023 0.000 2.355 251 A HA 0.751 5.071 4.320 0.000 0.000 0.317 251 A C -0.835 176.639 177.584 -0.183 0.000 1.094 251 A CA -0.553 51.370 52.037 -0.190 0.000 0.764 251 A CB 1.072 19.964 19.000 -0.181 0.000 1.230 251 A HN 0.673 nan 8.150 nan 0.000 0.448 252 I N 2.798 123.181 120.570 -0.312 0.000 2.339 252 I HA 0.319 4.489 4.170 0.000 0.000 0.290 252 I C -1.019 174.947 176.117 -0.253 0.000 0.994 252 I CA -0.587 60.600 61.300 -0.189 0.000 1.191 252 I CB 1.079 39.003 38.000 -0.127 0.000 1.343 252 I HN 0.409 nan 8.210 nan 0.000 0.458 253 L N 5.567 126.765 121.223 -0.042 0.000 2.313 253 L HA 0.319 4.659 4.340 0.000 0.000 0.273 253 L C 0.374 177.378 176.870 0.223 0.000 1.028 253 L CA 0.103 55.035 54.840 0.154 0.000 0.871 253 L CB 1.184 43.380 42.059 0.228 0.000 1.242 253 L HN 0.537 nan 8.230 nan 0.000 0.434 254 S N 3.678 119.530 115.700 0.254 0.000 2.449 254 S HA 0.605 5.075 4.470 0.000 0.000 0.310 254 S C 0.052 174.812 174.600 0.267 0.000 1.096 254 S CA -0.563 57.770 58.200 0.220 0.000 1.095 254 S CB 0.627 63.919 63.200 0.153 0.000 1.007 254 S HN 0.416 nan 8.310 nan 0.000 0.474 255 L N 4.147 125.469 121.223 0.165 0.000 3.094 255 L HA 0.348 4.688 4.340 0.000 0.000 0.254 255 L C 0.951 177.881 176.870 0.100 0.000 1.298 255 L CA -0.031 54.872 54.840 0.106 0.000 1.050 255 L CB -0.725 41.343 42.059 0.014 0.000 1.420 255 L HN 0.650 nan 8.230 nan 0.000 0.548 256 S N 2.625 118.401 115.700 0.126 0.000 2.564 256 S HA 0.301 4.771 4.470 0.000 0.000 0.278 256 S C -1.416 173.273 174.600 0.149 0.000 1.333 256 S CA -0.560 57.705 58.200 0.109 0.000 1.048 256 S CB 1.004 64.260 63.200 0.093 0.000 0.900 256 S HN 0.183 nan 8.310 nan 0.000 0.505 257 P HA 0.262 nan 4.420 nan 0.000 0.262 257 P C -0.512 176.869 177.300 0.136 0.000 1.304 257 P CA 0.138 63.333 63.100 0.159 0.000 0.859 257 P CB 0.125 31.881 31.700 0.093 0.000 1.310 258 E N 0.448 120.658 120.200 0.017 0.000 2.183 258 E HA 0.328 4.678 4.350 0.000 0.000 0.271 258 E C -0.210 176.048 176.600 -0.570 0.000 0.919 258 E CA -1.010 55.274 56.400 -0.194 0.000 0.781 258 E CB 2.064 31.689 29.700 -0.125 0.000 1.140 258 E HN -0.056 nan 8.360 nan 0.000 0.402 259 R N 2.369 122.284 120.500 -0.975 0.000 2.594 259 R HA 0.080 4.420 4.340 0.000 0.000 0.272 259 R C -0.167 175.919 176.300 -0.356 0.000 1.074 259 R CA -0.002 55.437 56.100 -1.102 0.000 1.105 259 R CB 0.386 30.035 30.300 -1.084 0.000 1.008 259 R HN 0.506 nan 8.270 nan 0.000 0.472 260 F N 3.861 123.593 119.950 -0.364 0.000 2.414 260 F HA 0.433 4.960 4.527 0.000 0.000 0.255 260 F C 0.076 175.772 175.800 -0.173 0.000 1.032 260 F CA 0.274 58.151 58.000 -0.204 0.000 1.049 260 F CB 0.350 39.276 39.000 -0.123 0.000 1.140 260 F HN 0.310 nan 8.300 nan 0.000 0.643 261 I N 1.703 122.070 120.570 -0.338 0.000 2.569 261 I HA 0.292 4.462 4.170 0.000 0.000 0.290 261 I C -1.472 174.508 176.117 -0.228 0.000 1.088 261 I CA -0.953 60.110 61.300 -0.396 0.000 1.047 261 I CB 2.427 40.081 38.000 -0.578 0.000 1.237 261 I HN 0.106 nan 8.210 nan 0.000 0.421 262 L N 6.665 127.796 121.223 -0.154 0.000 2.334 262 L HA 0.765 5.105 4.340 0.000 0.000 0.272 262 L C -0.906 175.921 176.870 -0.073 0.000 1.020 262 L CA -0.026 54.765 54.840 -0.082 0.000 0.812 262 L CB 1.876 43.940 42.059 0.009 0.000 1.264 262 L HN 0.794 nan 8.230 nan 0.000 0.439 263 C N 3.448 122.723 119.300 -0.042 0.000 3.309 263 C HA 0.424 4.884 4.460 0.000 0.000 0.335 263 C C -1.213 173.789 174.990 0.021 0.000 1.018 263 C CA -0.748 58.252 59.018 -0.031 0.000 1.326 263 C CB -0.573 27.128 27.740 -0.066 0.000 1.752 263 C HN 0.886 nan 8.230 nan 0.000 0.567 264 D N 3.653 124.077 120.400 0.041 0.000 2.428 264 D HA 0.255 4.895 4.640 0.000 0.000 0.221 264 D C 0.681 176.968 176.300 -0.022 0.000 1.123 264 D CA 0.768 54.818 54.000 0.082 0.000 0.869 264 D CB 0.248 41.120 40.800 0.120 0.000 1.032 264 D HN 0.755 nan 8.370 nan 0.000 0.506 265 N N 3.108 121.766 118.700 -0.070 0.000 2.727 265 N HA -0.320 4.420 4.740 0.000 0.000 0.249 265 N C -0.329 175.106 175.510 -0.125 0.000 1.048 265 N CA 1.124 54.036 53.050 -0.230 0.000 0.714 265 N CB -0.962 37.182 38.487 -0.570 0.000 0.959 265 N HN 0.344 nan 8.380 nan 0.000 0.544 266 S N -2.636 113.022 115.700 -0.070 0.000 2.929 266 S HA -0.301 4.169 4.470 0.000 0.000 0.271 266 S C -0.082 174.485 174.600 -0.056 0.000 1.295 266 S CA 1.388 59.550 58.200 -0.064 0.000 1.277 266 S CB -1.144 62.013 63.200 -0.072 0.000 1.557 266 S HN 0.925 nan 8.310 nan 0.000 0.666 267 E N 1.797 121.968 120.200 -0.048 0.000 2.081 267 E HA 0.594 4.944 4.350 0.000 0.000 0.276 267 E C -0.200 176.386 176.600 -0.025 0.000 0.950 267 E CA -0.561 55.819 56.400 -0.033 0.000 0.776 267 E CB 0.378 30.064 29.700 -0.022 0.000 1.094 267 E HN 0.477 nan 8.360 nan 0.000 0.402 268 I N 3.882 124.429 120.570 -0.039 0.000 2.428 268 I HA 0.306 4.476 4.170 0.000 0.000 0.289 268 I C 0.031 176.123 176.117 -0.042 0.000 1.019 268 I CA -0.470 60.798 61.300 -0.055 0.000 1.351 268 I CB 1.111 39.065 38.000 -0.076 0.000 1.412 268 I HN 0.624 nan 8.210 nan 0.000 0.513 269 Q N 4.556 124.326 119.800 -0.049 0.000 2.327 269 Q HA 0.325 4.665 4.340 0.000 0.000 0.265 269 Q C -0.593 175.372 176.000 -0.059 0.000 0.993 269 Q CA -0.654 55.132 55.803 -0.028 0.000 0.885 269 Q CB 1.902 30.654 28.738 0.024 0.000 1.379 269 Q HN 0.833 nan 8.270 nan 0.000 0.408 270 T N 0.586 115.104 114.554 -0.061 0.000 2.924 270 T HA 0.912 5.262 4.350 0.000 0.000 0.301 270 T C -0.236 174.444 174.700 -0.034 0.000 1.120 270 T CA -0.297 61.748 62.100 -0.091 0.000 0.940 270 T CB 0.888 69.702 68.868 -0.089 0.000 1.591 270 T HN 0.686 nan 8.240 nan 0.000 0.578 298 K N 2.288 122.702 120.400 0.023 0.000 2.412 298 K HA -0.239 4.081 4.320 0.000 0.000 0.245 298 K C -0.115 176.502 176.600 0.029 0.000 1.044 298 K CA 1.729 58.033 56.287 0.028 0.000 1.125 298 K CB -0.380 32.139 32.500 0.032 0.000 0.719 298 K HN 0.803 nan 8.250 nan 0.000 0.454 299 D N 1.103 121.521 120.400 0.030 0.000 2.946 299 D HA -0.222 4.418 4.640 0.000 0.000 0.202 299 D C 0.853 177.168 176.300 0.025 0.000 1.068 299 D CA 1.892 55.911 54.000 0.031 0.000 1.011 299 D CB -0.691 40.130 40.800 0.035 0.000 1.105 299 D HN 0.813 nan 8.370 nan 0.000 0.425 300 R N 1.137 121.650 120.500 0.020 0.000 2.115 300 R HA 0.151 4.491 4.340 0.000 0.000 0.226 300 R C 2.669 178.977 176.300 0.014 0.000 1.100 300 R CA 1.409 57.519 56.100 0.017 0.000 0.980 300 R CB -0.195 30.113 30.300 0.015 0.000 0.875 300 R HN 0.270 nan 8.270 nan 0.000 0.445 301 A N 1.578 124.405 122.820 0.012 0.000 1.908 301 A HA -0.248 4.072 4.320 0.000 0.000 0.218 301 A C 2.004 179.593 177.584 0.008 0.000 1.181 301 A CA 1.431 53.471 52.037 0.005 0.000 0.627 301 A CB -0.460 18.542 19.000 0.003 0.000 0.818 301 A HN 0.329 nan 8.150 nan 0.000 0.445 302 E N 0.340 120.551 120.200 0.017 0.000 2.072 302 E HA -0.291 4.059 4.350 0.000 0.000 0.218 302 E C 1.859 178.474 176.600 0.024 0.000 1.051 302 E CA 2.021 58.436 56.400 0.026 0.000 0.880 302 E CB -0.371 29.349 29.700 0.034 0.000 0.783 302 E HN 0.834 nan 8.360 nan 0.000 0.473 303 N N 0.766 119.479 118.700 0.023 0.000 2.188 303 N HA -0.163 4.577 4.740 0.000 0.000 0.184 303 N C 2.339 177.859 175.510 0.015 0.000 1.018 303 N CA 1.046 54.109 53.050 0.021 0.000 0.858 303 N CB -0.694 37.806 38.487 0.021 0.000 0.989 303 N HN 0.252 nan 8.380 nan 0.000 0.426 304 L N 0.473 121.702 121.223 0.010 0.000 2.081 304 L HA -0.111 4.230 4.340 0.000 0.000 0.212 304 L C 2.758 179.630 176.870 0.003 0.000 1.080 304 L CA 1.239 56.082 54.840 0.004 0.000 0.754 304 L CB -0.558 41.501 42.059 -0.001 0.000 0.893 304 L HN 0.149 nan 8.230 nan 0.000 0.433 305 M N 0.621 120.223 119.600 0.003 0.000 2.132 305 M HA -0.169 4.311 4.480 0.000 0.000 0.263 305 M C 2.335 178.646 176.300 0.019 0.000 1.065 305 M CA 1.890 57.192 55.300 0.005 0.000 1.122 305 M CB -0.071 32.532 32.600 0.005 0.000 1.365 305 M HN 0.337 nan 8.290 nan 0.000 0.411 306 I N -2.129 118.455 120.570 0.023 0.000 2.394 306 I HA -0.096 4.074 4.170 0.000 0.000 0.251 306 I C 1.917 178.045 176.117 0.019 0.000 1.136 306 I CA 0.867 62.182 61.300 0.025 0.000 1.425 306 I CB -1.349 36.666 38.000 0.024 0.000 1.079 306 I HN -0.038 nan 8.210 nan 0.000 0.425 307 V N 1.755 121.677 119.914 0.014 0.000 2.392 307 V HA -0.324 3.796 4.120 0.000 0.000 0.249 307 V C 2.331 178.427 176.094 0.003 0.000 1.059 307 V CA 2.436 64.741 62.300 0.008 0.000 1.051 307 V CB -1.072 30.755 31.823 0.006 0.000 0.658 307 V HN 0.563 nan 8.190 nan 0.000 0.455 308 D N -0.760 119.642 120.400 0.004 0.000 2.219 308 D HA -0.141 4.499 4.640 0.000 0.000 0.205 308 D C 2.038 178.340 176.300 0.004 0.000 0.970 308 D CA 0.573 54.572 54.000 -0.000 0.000 0.851 308 D CB -0.017 40.781 40.800 -0.003 0.000 0.943 308 D HN 0.235 nan 8.370 nan 0.000 0.488 309 L N 0.314 121.545 121.223 0.012 0.000 1.937 309 L HA -0.173 4.167 4.340 0.000 0.000 0.213 309 L C 2.006 178.882 176.870 0.010 0.000 1.077 309 L CA 1.621 56.472 54.840 0.017 0.000 0.758 309 L CB -1.061 41.014 42.059 0.027 0.000 0.888 309 L HN 0.186 nan 8.230 nan 0.000 0.433 310 M N -0.351 119.256 119.600 0.012 0.000 2.190 310 M HA -0.330 4.150 4.480 0.000 0.000 0.252 310 M C 2.250 178.533 176.300 -0.027 0.000 1.076 310 M CA 1.951 57.249 55.300 -0.003 0.000 1.079 310 M CB -1.778 30.817 32.600 -0.009 0.000 1.303 310 M HN 0.360 nan 8.290 nan 0.000 0.412 311 R N 0.246 120.733 120.500 -0.021 0.000 2.122 311 R HA -0.239 4.101 4.340 0.000 0.000 0.236 311 R C 2.018 178.302 176.300 -0.026 0.000 1.129 311 R CA 2.539 58.624 56.100 -0.025 0.000 0.925 311 R CB -0.543 29.747 30.300 -0.017 0.000 0.850 311 R HN 0.506 nan 8.270 nan 0.000 0.431 312 N N 0.011 118.700 118.700 -0.017 0.000 2.309 312 N HA -0.144 4.596 4.740 0.000 0.000 0.182 312 N C 1.159 176.653 175.510 -0.027 0.000 1.018 312 N CA 1.525 54.563 53.050 -0.019 0.000 0.876 312 N CB -0.089 38.391 38.487 -0.011 0.000 0.972 312 N HN 0.242 nan 8.380 nan 0.000 0.434 313 D N 0.459 120.845 120.400 -0.025 0.000 2.137 313 D HA -0.178 4.462 4.640 0.000 0.000 0.189 313 D C 1.804 178.071 176.300 -0.056 0.000 0.998 313 D CA 1.193 55.174 54.000 -0.031 0.000 0.839 313 D CB -0.280 40.509 40.800 -0.018 0.000 0.962 313 D HN 0.301 nan 8.370 nan 0.000 0.446 314 I N 0.295 120.823 120.570 -0.070 0.000 2.361 314 I HA -0.121 4.049 4.170 0.000 0.000 0.251 314 I C 2.329 178.407 176.117 -0.066 0.000 1.133 314 I CA 1.245 62.494 61.300 -0.086 0.000 1.413 314 I CB -1.357 36.587 38.000 -0.092 0.000 1.073 314 I HN 0.015 nan 8.210 nan 0.000 0.424 315 G N 1.125 109.894 108.800 -0.050 0.000 2.598 315 G HA2 -0.149 3.811 3.960 0.000 0.000 0.215 315 G HA3 -0.149 3.811 3.960 0.000 0.000 0.215 315 G C 1.715 176.591 174.900 -0.040 0.000 1.131 315 G CA -0.128 44.947 45.100 -0.041 0.000 0.785 315 G HN 0.318 nan 8.290 nan 0.000 0.539 316 R N -0.202 120.271 120.500 -0.044 0.000 2.189 316 R HA 0.041 4.381 4.340 0.000 0.000 0.223 316 R C 1.634 177.907 176.300 -0.046 0.000 1.092 316 R CA 0.756 56.831 56.100 -0.041 0.000 0.989 316 R CB -0.220 30.054 30.300 -0.043 0.000 0.876 316 R HN 0.391 nan 8.270 nan 0.000 0.457 317 V N 0.005 119.886 119.914 -0.055 0.000 3.539 317 V HA 0.223 4.343 4.120 0.000 0.000 0.262 317 V C 0.815 176.875 176.094 -0.056 0.000 1.381 317 V CA 0.263 62.529 62.300 -0.057 0.000 1.060 317 V CB 0.706 32.485 31.823 -0.073 0.000 0.842 317 V HN 0.206 nan 8.190 nan 0.000 0.445 318 A N 0.256 123.043 122.820 -0.056 0.000 2.346 318 A HA 0.449 4.769 4.320 0.000 0.000 0.252 318 A C 0.147 177.704 177.584 -0.045 0.000 1.089 318 A CA 0.037 52.042 52.037 -0.054 0.000 0.797 318 A CB 0.318 19.286 19.000 -0.054 0.000 1.047 318 A HN 0.083 nan 8.150 nan 0.000 0.494 319 V N 1.623 121.511 119.914 -0.044 0.000 2.485 319 V HA 0.263 4.383 4.120 0.000 0.000 0.287 319 V C 1.236 177.311 176.094 -0.032 0.000 1.022 319 V CA 0.388 62.666 62.300 -0.037 0.000 1.067 319 V CB 0.030 31.831 31.823 -0.036 0.000 0.967 319 V HN 1.187 nan 8.190 nan 0.000 0.479 320 A N 5.222 128.025 122.820 -0.028 0.000 2.592 320 A HA 0.364 4.684 4.320 0.000 0.000 0.250 320 A C 1.569 179.139 177.584 -0.023 0.000 1.017 320 A CA 0.699 52.721 52.037 -0.024 0.000 0.794 320 A CB -0.749 18.238 19.000 -0.021 0.000 0.917 320 A HN 2.348 nan 8.150 nan 0.000 0.515 321 G N 1.801 110.588 108.800 -0.022 0.000 2.198 321 G HA2 -0.201 3.759 3.960 0.000 0.000 0.260 321 G HA3 -0.201 3.759 3.960 0.000 0.000 0.260 321 G C 0.762 175.649 174.900 -0.021 0.000 1.025 321 G CA 1.033 46.121 45.100 -0.020 0.000 0.769 321 G HN 2.120 nan 8.290 nan 0.000 0.507 322 S N -2.216 113.469 115.700 -0.025 0.000 2.512 322 S HA 0.408 4.878 4.470 0.000 0.000 0.216 322 S C 0.770 175.354 174.600 -0.026 0.000 1.006 322 S CA 0.497 58.681 58.200 -0.026 0.000 0.915 322 S CB 0.946 64.127 63.200 -0.031 0.000 0.824 322 S HN 0.759 nan 8.310 nan 0.000 0.497 323 V N 3.694 123.592 119.914 -0.027 0.000 2.397 323 V HA 0.383 4.503 4.120 0.000 0.000 0.262 323 V C -0.024 176.058 176.094 -0.021 0.000 1.047 323 V CA -0.286 61.997 62.300 -0.027 0.000 1.003 323 V CB -0.074 31.731 31.823 -0.029 0.000 1.037 323 V HN 0.485 nan 8.190 nan 0.000 0.480 324 K N 5.591 125.980 120.400 -0.019 0.000 2.358 324 K HA 0.647 4.967 4.320 0.000 0.000 0.260 324 K C -1.202 175.391 176.600 -0.012 0.000 0.956 324 K CA -0.456 55.823 56.287 -0.014 0.000 0.834 324 K CB 1.840 34.333 32.500 -0.011 0.000 1.102 324 K HN 0.302 nan 8.250 nan 0.000 0.431 325 V N 5.835 125.744 119.914 -0.010 0.000 2.539 325 V HA 0.578 4.698 4.120 0.000 0.000 0.292 325 V C -1.677 174.415 176.094 -0.003 0.000 1.045 325 V CA -1.308 60.988 62.300 -0.007 0.000 0.945 325 V CB 0.951 32.770 31.823 -0.007 0.000 0.993 325 V HN 0.987 nan 8.190 nan 0.000 0.464 326 P HA 0.418 nan 4.420 nan 0.000 0.317 326 P C -0.007 177.294 177.300 0.003 0.000 1.301 326 P CA -0.767 62.335 63.100 0.002 0.000 0.799 326 P CB 0.972 32.676 31.700 0.006 0.000 1.344 343 T N 4.348 118.921 114.554 0.032 0.000 3.619 343 T HA 0.203 4.553 4.350 0.000 0.000 0.445 343 T C -0.932 173.775 174.700 0.012 0.000 1.406 343 T CA -0.630 61.491 62.100 0.034 0.000 1.078 343 T CB 0.166 69.067 68.868 0.056 0.000 1.447 343 T HN 0.718 nan 8.240 nan 0.000 0.441 344 I N 3.872 124.440 120.570 -0.002 0.000 2.692 344 I HA 0.364 4.534 4.170 0.000 0.000 0.284 344 I C 1.065 177.170 176.117 -0.021 0.000 1.159 344 I CA 0.146 61.436 61.300 -0.016 0.000 1.423 344 I CB 0.932 38.914 38.000 -0.030 0.000 1.380 344 I HN 0.698 nan 8.210 nan 0.000 0.580 345 T N 2.629 117.171 114.554 -0.020 0.000 2.906 345 T HA 0.918 5.268 4.350 0.000 0.000 0.295 345 T C -0.570 174.113 174.700 -0.030 0.000 1.075 345 T CA -0.851 61.236 62.100 -0.021 0.000 1.005 345 T CB 2.352 71.215 68.868 -0.008 0.000 1.136 345 T HN 0.903 nan 8.240 nan 0.000 0.498 346 A N 1.106 123.905 122.820 -0.035 0.000 2.456 346 A HA 0.701 5.021 4.320 0.000 0.000 0.294 346 A C -1.866 175.693 177.584 -0.042 0.000 1.057 346 A CA -1.069 50.945 52.037 -0.039 0.000 0.623 346 A CB 0.999 19.971 19.000 -0.047 0.000 1.338 346 A HN 1.051 nan 8.150 nan 0.000 0.464 347 Q N -0.056 119.718 119.800 -0.044 0.000 2.496 347 Q HA 0.787 5.127 4.340 0.000 0.000 0.286 347 Q C -1.629 174.337 176.000 -0.055 0.000 1.103 347 Q CA -0.856 54.918 55.803 -0.047 0.000 0.813 347 Q CB 1.845 30.557 28.738 -0.043 0.000 1.444 347 Q HN 1.043 nan 8.270 nan 0.000 0.443 348 L N 1.598 122.784 121.223 -0.061 0.000 2.307 348 L HA 0.488 4.828 4.340 0.000 0.000 0.282 348 L C -2.476 174.352 176.870 -0.069 0.000 1.051 348 L CA -1.561 53.238 54.840 -0.068 0.000 0.804 348 L CB 1.163 43.175 42.059 -0.077 0.000 1.197 348 L HN 0.464 nan 8.230 nan 0.000 0.431 349 P HA 0.047 nan 4.420 nan 0.000 0.266 349 P C -0.162 177.087 177.300 -0.085 0.000 1.195 349 P CA -0.008 63.052 63.100 -0.066 0.000 0.768 349 P CB 0.467 32.131 31.700 -0.060 0.000 0.838 350 E N 1.960 122.114 120.200 -0.077 0.000 2.267 350 E HA -0.268 4.082 4.350 0.000 0.000 0.197 350 E C 1.433 177.960 176.600 -0.122 0.000 0.998 350 E CA 0.982 57.328 56.400 -0.091 0.000 0.830 350 E CB -0.490 29.172 29.700 -0.063 0.000 0.751 350 E HN 0.517 nan 8.360 nan 0.000 0.491 351 Q N 0.735 120.472 119.800 -0.106 0.000 2.384 351 Q HA 0.101 4.441 4.340 0.000 0.000 0.207 351 Q C 0.740 176.662 176.000 -0.130 0.000 0.904 351 Q CA 0.251 55.995 55.803 -0.099 0.000 0.933 351 Q CB 0.210 28.921 28.738 -0.046 0.000 1.077 351 Q HN 0.304 nan 8.270 nan 0.000 0.522 352 L N 1.159 122.290 121.223 -0.153 0.000 2.431 352 L HA 0.420 4.760 4.340 0.000 0.000 0.260 352 L C -0.306 176.377 176.870 -0.311 0.000 1.098 352 L CA -0.862 53.910 54.840 -0.113 0.000 0.800 352 L CB 0.786 42.806 42.059 -0.065 0.000 1.210 352 L HN 0.091 nan 8.230 nan 0.000 0.465 353 H N -1.148 117.899 119.070 -0.038 0.000 2.710 353 H HA 0.356 4.912 4.556 0.000 0.000 0.361 353 H C 0.549 175.843 175.328 -0.057 0.000 1.175 353 H CA -0.078 55.950 56.048 -0.034 0.000 1.206 353 H CB 1.808 31.555 29.762 -0.025 0.000 1.750 353 H HN 0.654 nan 8.280 nan 0.000 0.553 354 A N 0.780 123.643 122.820 0.072 0.000 1.978 354 A HA -0.231 4.089 4.320 0.000 0.000 0.220 354 A C 2.217 179.769 177.584 -0.053 0.000 1.170 354 A CA 2.117 54.145 52.037 -0.015 0.000 0.636 354 A CB -1.120 17.873 19.000 -0.012 0.000 0.810 354 A HN 0.744 nan 8.150 nan 0.000 0.448 355 S N 0.300 115.992 115.700 -0.013 0.000 2.383 355 S HA -0.216 4.254 4.470 0.000 0.000 0.229 355 S C 1.397 175.927 174.600 -0.116 0.000 1.030 355 S CA 1.480 59.631 58.200 -0.082 0.000 1.002 355 S CB -0.524 62.643 63.200 -0.056 0.000 0.829 355 S HN 0.588 nan 8.310 nan 0.000 0.467 356 D N 1.361 121.729 120.400 -0.054 0.000 2.149 356 D HA 0.012 4.652 4.640 0.000 0.000 0.201 356 D C 1.890 178.112 176.300 -0.130 0.000 0.972 356 D CA 0.801 54.749 54.000 -0.086 0.000 0.835 356 D CB -0.391 40.390 40.800 -0.032 0.000 0.966 356 D HN 0.386 nan 8.370 nan 0.000 0.476 357 L N 0.795 121.947 121.223 -0.118 0.000 2.201 357 L HA -0.071 4.269 4.340 0.000 0.000 0.212 357 L C 1.969 178.736 176.870 -0.172 0.000 1.105 357 L CA 1.089 55.844 54.840 -0.143 0.000 0.775 357 L CB -0.391 41.583 42.059 -0.142 0.000 0.913 357 L HN -0.043 nan 8.230 nan 0.000 0.440 358 L N -0.619 120.489 121.223 -0.191 0.000 2.131 358 L HA -0.064 4.276 4.340 0.000 0.000 0.206 358 L C 2.672 179.430 176.870 -0.187 0.000 1.087 358 L CA 1.460 56.197 54.840 -0.171 0.000 0.767 358 L CB -0.658 41.240 42.059 -0.269 0.000 0.917 358 L HN 0.300 nan 8.230 nan 0.000 0.441 359 R N -0.323 119.966 120.500 -0.352 0.000 2.081 359 R HA -0.153 4.187 4.340 0.000 0.000 0.235 359 R C 2.090 178.135 176.300 -0.424 0.000 1.131 359 R CA 1.414 57.109 56.100 -0.675 0.000 0.960 359 R CB -0.373 29.485 30.300 -0.736 0.000 0.856 359 R HN 0.478 nan 8.270 nan 0.000 0.436 360 A N -0.015 122.663 122.820 -0.235 0.000 2.070 360 A HA -0.018 4.302 4.320 0.000 0.000 0.220 360 A C 1.944 179.502 177.584 -0.043 0.000 1.159 360 A CA 1.598 53.559 52.037 -0.127 0.000 0.656 360 A CB -0.251 18.687 19.000 -0.104 0.000 0.800 360 A HN 0.517 nan 8.150 nan 0.000 0.453 361 A N -2.211 120.612 122.820 0.006 0.000 2.382 361 A HA 0.496 4.816 4.320 0.000 0.000 0.228 361 A C 0.338 178.122 177.584 0.333 0.000 1.217 361 A CA -0.448 51.667 52.037 0.129 0.000 0.923 361 A CB -0.149 18.865 19.000 0.023 0.000 0.979 361 A HN 0.399 nan 8.150 nan 0.000 0.515 362 F N 2.310 122.358 119.950 0.164 0.000 2.412 362 F HA 0.525 5.052 4.527 0.000 0.000 0.348 362 F C -2.338 173.501 175.800 0.065 0.000 1.102 362 F CA -2.286 55.802 58.000 0.146 0.000 1.196 362 F CB 1.101 40.197 39.000 0.161 0.000 1.144 362 F HN -0.013 nan 8.300 nan 0.000 0.541 363 P HA 0.263 nan 4.420 nan 0.000 0.282 363 P C -0.664 176.274 177.300 -0.604 0.000 1.259 363 P CA -0.487 61.803 63.100 -1.349 0.000 0.826 363 P CB 0.808 31.788 31.700 -1.200 0.000 1.064 364 G N 0.627 109.028 108.800 -0.665 0.000 2.178 364 G HA2 0.155 4.115 3.960 0.000 0.000 0.244 364 G HA3 0.155 4.115 3.960 0.000 0.000 0.244 364 G C 1.386 176.203 174.900 -0.137 0.000 1.213 364 G CA 0.213 45.130 45.100 -0.305 0.000 0.912 364 G HN 0.604 nan 8.290 nan 0.000 0.474 365 G N 1.749 110.543 108.800 -0.010 0.000 2.442 365 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 365 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 365 G C 2.164 177.049 174.900 -0.025 0.000 1.141 365 G CA 1.556 46.649 45.100 -0.011 0.000 0.763 365 G HN 0.985 nan 8.290 nan 0.000 0.554 366 S N 0.974 116.660 115.700 -0.024 0.000 2.440 366 S HA -0.135 4.335 4.470 0.000 0.000 0.238 366 S C 1.831 176.389 174.600 -0.070 0.000 1.010 366 S CA 1.442 59.623 58.200 -0.033 0.000 0.972 366 S CB -0.296 62.885 63.200 -0.031 0.000 0.774 366 S HN 0.690 nan 8.310 nan 0.000 0.501 367 I N -2.153 118.344 120.570 -0.122 0.000 4.009 367 I HA 0.455 4.625 4.170 0.000 0.000 0.331 367 I C 1.276 177.335 176.117 -0.098 0.000 1.462 367 I CA -0.225 60.983 61.300 -0.154 0.000 1.117 367 I CB 0.010 37.826 38.000 -0.307 0.000 1.091 367 I HN -0.044 nan 8.210 nan 0.000 0.410 368 T N 0.158 114.682 114.554 -0.049 0.000 3.146 368 T HA 0.690 5.040 4.350 0.000 0.000 0.235 368 T C 0.884 175.582 174.700 -0.003 0.000 0.985 368 T CA 1.196 63.296 62.100 -0.000 0.000 1.265 368 T CB -0.053 68.809 68.868 -0.010 0.000 0.946 368 T HN 0.697 nan 8.240 nan 0.000 0.418 369 G N 0.426 109.223 108.800 -0.006 0.000 2.318 369 G HA2 0.414 4.374 3.960 0.000 0.000 0.367 369 G HA3 0.414 4.374 3.960 0.000 0.000 0.367 369 G C -1.298 173.603 174.900 0.002 0.000 1.260 369 G CA -0.267 44.834 45.100 0.002 0.000 1.055 369 G HN 0.916 nan 8.290 nan 0.000 0.484 370 A N 0.145 122.969 122.820 0.008 0.000 2.486 370 A HA 0.928 5.249 4.320 0.000 0.000 0.300 370 A C -2.870 174.676 177.584 -0.063 0.000 1.048 370 A CA -1.125 50.931 52.037 0.032 0.000 0.696 370 A CB 1.905 20.990 19.000 0.141 0.000 1.278 370 A HN 0.703 nan 8.150 nan 0.000 0.405 371 P HA 0.018 nan 4.420 nan 0.000 0.266 371 P C 0.692 177.966 177.300 -0.043 0.000 1.193 371 P CA 0.056 63.142 63.100 -0.023 0.000 0.770 371 P CB 0.710 32.384 31.700 -0.043 0.000 0.836 372 K N 1.675 122.064 120.400 -0.019 0.000 1.988 372 K HA -0.174 4.146 4.320 0.000 0.000 0.221 372 K C 1.714 178.290 176.600 -0.040 0.000 1.053 372 K CA 2.077 58.349 56.287 -0.025 0.000 0.959 372 K CB -0.767 31.722 32.500 -0.017 0.000 0.728 372 K HN 0.092 nan 8.250 nan 0.000 0.447 373 V N 0.963 120.854 119.914 -0.038 0.000 2.332 373 V HA -0.249 3.871 4.120 0.000 0.000 0.248 373 V C 2.477 178.530 176.094 -0.069 0.000 1.055 373 V CA 2.195 64.469 62.300 -0.045 0.000 1.038 373 V CB -0.577 31.227 31.823 -0.032 0.000 0.651 373 V HN 0.388 nan 8.190 nan 0.000 0.450 374 R N 0.830 121.275 120.500 -0.092 0.000 2.096 374 R HA -0.106 4.234 4.340 0.000 0.000 0.235 374 R C 2.161 178.370 176.300 -0.153 0.000 1.127 374 R CA 1.784 57.800 56.100 -0.140 0.000 0.968 374 R CB -0.767 29.426 30.300 -0.180 0.000 0.861 374 R HN 0.455 nan 8.270 nan 0.000 0.440 375 A N 0.363 123.111 122.820 -0.119 0.000 1.902 375 A HA -0.156 4.165 4.320 0.000 0.000 0.217 375 A C 2.183 179.737 177.584 -0.049 0.000 1.181 375 A CA 1.775 53.755 52.037 -0.095 0.000 0.623 375 A CB -0.477 18.485 19.000 -0.063 0.000 0.818 375 A HN 0.421 nan 8.150 nan 0.000 0.443 376 M N -0.640 118.945 119.600 -0.025 0.000 2.374 376 M HA -0.128 4.352 4.480 0.000 0.000 0.264 376 M C 1.791 178.100 176.300 0.015 0.000 1.067 376 M CA 1.198 56.521 55.300 0.039 0.000 1.103 376 M CB -0.398 32.216 32.600 0.022 0.000 1.402 376 M HN 0.502 nan 8.290 nan 0.000 0.444 377 E N 0.814 120.987 120.200 -0.046 0.000 2.072 377 E HA -0.110 4.240 4.350 0.000 0.000 0.190 377 E C 1.899 178.454 176.600 -0.076 0.000 0.982 377 E CA 1.059 57.421 56.400 -0.064 0.000 0.803 377 E CB -0.088 29.547 29.700 -0.108 0.000 0.755 377 E HN 0.534 nan 8.360 nan 0.000 0.453 378 I N 1.032 121.525 120.570 -0.128 0.000 2.493 378 I HA -0.208 3.962 4.170 0.000 0.000 0.254 378 I C 2.188 178.294 176.117 -0.019 0.000 1.160 378 I CA 0.780 62.008 61.300 -0.121 0.000 1.445 378 I CB -0.085 37.790 38.000 -0.207 0.000 1.086 378 I HN 0.102 nan 8.210 nan 0.000 0.433 379 I N 0.655 121.226 120.570 0.001 0.000 2.286 379 I HA -0.273 3.897 4.170 0.000 0.000 0.245 379 I C 2.198 178.339 176.117 0.039 0.000 1.104 379 I CA 1.553 62.871 61.300 0.030 0.000 1.397 379 I CB -0.300 37.734 38.000 0.057 0.000 1.072 379 I HN 0.215 nan 8.210 nan 0.000 0.417 380 D N 0.809 121.239 120.400 0.049 0.000 2.178 380 D HA -0.266 4.374 4.640 0.000 0.000 0.202 380 D C 2.103 178.423 176.300 0.033 0.000 0.974 380 D CA 1.161 55.191 54.000 0.051 0.000 0.841 380 D CB 0.057 40.888 40.800 0.051 0.000 0.953 380 D HN 0.369 nan 8.370 nan 0.000 0.478 381 E N -0.470 119.746 120.200 0.028 0.000 2.107 381 E HA -0.105 4.245 4.350 0.000 0.000 0.191 381 E C 1.785 178.413 176.600 0.046 0.000 0.982 381 E CA 0.737 57.160 56.400 0.039 0.000 0.809 381 E CB 0.034 29.770 29.700 0.059 0.000 0.756 381 E HN 0.386 nan 8.360 nan 0.000 0.459 382 L N 0.256 121.506 121.223 0.044 0.000 2.575 382 L HA 0.244 4.584 4.340 0.000 0.000 0.228 382 L C 0.505 177.391 176.870 0.027 0.000 1.075 382 L CA -0.069 54.794 54.840 0.038 0.000 0.867 382 L CB 0.302 42.388 42.059 0.044 0.000 1.097 382 L HN 0.004 nan 8.230 nan 0.000 0.485 383 E N 1.671 121.883 120.200 0.021 0.000 2.257 383 E HA 0.053 4.403 4.350 0.000 0.000 0.278 383 E C -1.553 175.048 176.600 0.001 0.000 1.049 383 E CA -1.703 54.701 56.400 0.006 0.000 0.876 383 E CB 1.341 31.037 29.700 -0.007 0.000 1.035 383 E HN 0.004 nan 8.360 nan 0.000 0.419 384 P HA -0.162 nan 4.420 nan 0.000 0.216 384 P C -0.314 176.978 177.300 -0.013 0.000 1.150 384 P CA 1.348 64.447 63.100 -0.002 0.000 0.837 384 P CB 0.370 32.071 31.700 0.001 0.000 0.786 385 Q N -1.657 118.123 119.800 -0.034 0.000 2.399 385 Q HA 0.412 4.752 4.340 0.000 0.000 0.276 385 Q C -0.150 175.827 176.000 -0.039 0.000 1.098 385 Q CA -0.749 55.028 55.803 -0.044 0.000 0.827 385 Q CB 1.316 30.007 28.738 -0.079 0.000 1.386 385 Q HN -0.098 nan 8.270 nan 0.000 0.443 386 R N 0.849 121.336 120.500 -0.021 0.000 2.590 386 R HA 0.112 4.452 4.340 0.000 0.000 0.274 386 R C 0.710 177.008 176.300 -0.003 0.000 1.061 386 R CA 0.173 56.285 56.100 0.020 0.000 1.081 386 R CB 0.469 30.797 30.300 0.046 0.000 0.984 386 R HN 0.536 nan 8.270 nan 0.000 0.448 387 R N 1.801 122.316 120.500 0.026 0.000 2.148 387 R HA -0.188 4.152 4.340 0.000 0.000 0.227 387 R C 1.066 177.434 176.300 0.114 0.000 1.103 387 R CA 1.132 57.264 56.100 0.053 0.000 0.983 387 R CB -0.414 29.850 30.300 -0.059 0.000 0.874 387 R HN 0.765 nan 8.270 nan 0.000 0.451 388 N N -0.914 117.861 118.700 0.125 0.000 1.188 388 N HA -0.398 4.342 4.740 0.000 0.000 0.128 388 N C 0.762 176.356 175.510 0.140 0.000 0.759 388 N CA 2.216 55.328 53.050 0.103 0.000 0.905 388 N CB -1.346 37.151 38.487 0.016 0.000 1.156 388 N HN 0.135 nan 8.380 nan 0.000 0.553 389 A N -1.390 121.494 122.820 0.107 0.000 2.131 389 A HA -0.032 4.288 4.320 0.000 0.000 0.220 389 A C 0.739 178.434 177.584 0.185 0.000 1.158 389 A CA 1.617 53.726 52.037 0.121 0.000 0.665 389 A CB -0.926 18.122 19.000 0.080 0.000 0.795 389 A HN 0.503 nan 8.150 nan 0.000 0.460 390 W N -1.784 119.522 121.300 0.009 0.000 2.287 390 W HA 0.385 5.045 4.660 0.000 0.000 0.313 390 W C 0.445 176.936 176.519 -0.047 0.000 1.267 390 W CA 0.223 57.557 57.345 -0.017 0.000 1.201 390 W CB 0.279 29.712 29.460 -0.046 0.000 1.196 390 W HN 0.339 nan 8.180 nan 0.000 0.536 391 C N 4.482 123.318 119.300 -0.773 0.000 4.465 391 C HA -0.147 4.313 4.460 0.000 0.000 0.274 391 C C 1.301 176.111 174.990 -0.299 0.000 1.337 391 C CA 0.755 59.305 59.018 -0.779 0.000 1.822 391 C CB -2.098 24.969 27.740 -1.122 0.000 1.357 391 C HN 1.024 nan 8.230 nan 0.000 0.753 392 G N -0.497 108.264 108.800 -0.065 0.000 2.882 392 G HA2 0.680 4.640 3.960 0.000 0.000 0.164 392 G HA3 0.680 4.640 3.960 0.000 0.000 0.164 392 G C -0.207 174.766 174.900 0.121 0.000 1.429 392 G CA 0.642 45.822 45.100 0.132 0.000 1.059 392 G HN 0.615 nan 8.290 nan 0.000 0.581 393 S N -1.231 114.715 115.700 0.410 0.000 2.599 393 S HA 0.626 5.096 4.470 0.000 0.000 0.287 393 S C -0.923 173.868 174.600 0.317 0.000 1.105 393 S CA -0.318 58.061 58.200 0.298 0.000 0.899 393 S CB 1.799 65.227 63.200 0.381 0.000 1.100 393 S HN 0.415 nan 8.310 nan 0.000 0.482 394 I N 1.282 121.990 120.570 0.230 0.000 2.562 394 I HA 0.807 4.977 4.170 0.000 0.000 0.301 394 I C 0.589 176.847 176.117 0.235 0.000 1.003 394 I CA -0.176 61.233 61.300 0.183 0.000 1.127 394 I CB 2.064 40.121 38.000 0.094 0.000 1.304 394 I HN 0.853 nan 8.210 nan 0.000 0.446 395 G N 3.779 112.725 108.800 0.244 0.000 2.341 395 G HA2 0.445 4.405 3.960 0.000 0.000 0.299 395 G HA3 0.445 4.405 3.960 0.000 0.000 0.299 395 G C -2.184 172.838 174.900 0.204 0.000 1.274 395 G CA -0.543 44.669 45.100 0.185 0.000 0.853 395 G HN 0.580 nan 8.290 nan 0.000 0.493 396 Y N -1.421 118.939 120.300 0.100 0.000 2.534 396 Y HA 0.836 5.386 4.550 0.000 0.000 0.345 396 Y C -1.359 174.625 175.900 0.140 0.000 1.031 396 Y CA -1.820 56.304 58.100 0.040 0.000 1.022 396 Y CB 1.619 39.921 38.460 -0.264 0.000 1.292 396 Y HN 0.455 nan 8.280 nan 0.000 0.459 397 L N 3.570 125.010 121.223 0.361 0.000 2.353 397 L HA 0.452 4.792 4.340 0.000 0.000 0.270 397 L C 0.125 177.194 176.870 0.332 0.000 1.003 397 L CA -0.772 54.223 54.840 0.258 0.000 0.862 397 L CB 1.813 43.947 42.059 0.125 0.000 1.221 397 L HN 0.812 nan 8.230 nan 0.000 0.430 398 S N 1.185 117.140 115.700 0.425 0.000 2.549 398 S HA 0.221 4.691 4.470 0.000 0.000 0.283 398 S C 1.162 175.792 174.600 0.050 0.000 1.320 398 S CA -0.272 58.031 58.200 0.171 0.000 1.058 398 S CB 0.358 63.697 63.200 0.231 0.000 0.882 398 S HN 0.411 nan 8.310 nan 0.000 0.498 399 F N 2.656 122.577 119.950 -0.048 0.000 2.307 399 F HA -0.075 4.452 4.527 0.000 0.000 0.301 399 F C 2.573 178.377 175.800 0.008 0.000 1.076 399 F CA 0.663 58.644 58.000 -0.032 0.000 1.383 399 F CB -1.169 37.760 39.000 -0.120 0.000 1.055 399 F HN 0.827 nan 8.300 nan 0.000 0.526 400 C N -1.124 118.289 119.300 0.189 0.000 2.511 400 C HA 0.573 5.033 4.460 0.000 0.000 0.277 400 C C 2.153 177.238 174.990 0.157 0.000 1.451 400 C CA 0.096 59.206 59.018 0.153 0.000 1.735 400 C CB -0.932 26.889 27.740 0.136 0.000 1.704 400 C HN 0.735 nan 8.230 nan 0.000 0.571 401 G N 0.663 109.563 108.800 0.167 0.000 2.194 401 G HA2 -0.214 3.746 3.960 0.000 0.000 0.236 401 G HA3 -0.214 3.746 3.960 0.000 0.000 0.236 401 G C -0.168 174.814 174.900 0.136 0.000 0.987 401 G CA 0.115 45.302 45.100 0.144 0.000 0.635 401 G HN 0.534 nan 8.290 nan 0.000 0.520 402 N N 0.222 119.035 118.700 0.188 0.000 2.371 402 N HA 0.628 5.368 4.740 0.000 0.000 0.243 402 N C 0.231 175.843 175.510 0.171 0.000 1.287 402 N CA 0.520 53.691 53.050 0.201 0.000 0.911 402 N CB 0.768 39.440 38.487 0.308 0.000 1.142 402 N HN 0.621 nan 8.380 nan 0.000 0.451 403 M N 0.402 120.014 119.600 0.020 0.000 2.470 403 M HA 0.335 4.815 4.480 0.000 0.000 0.285 403 M C -2.094 173.912 176.300 -0.492 0.000 1.213 403 M CA -0.620 54.536 55.300 -0.241 0.000 0.901 403 M CB 2.144 34.649 32.600 -0.158 0.000 1.718 403 M HN 0.325 nan 8.290 nan 0.000 0.469 404 D N 1.686 121.538 120.400 -0.913 0.000 2.859 404 D HA 0.709 5.349 4.640 0.000 0.000 0.223 404 D C -1.690 174.421 176.300 -0.316 0.000 1.218 404 D CA 0.376 54.080 54.000 -0.492 0.000 0.850 404 D CB 2.511 43.142 40.800 -0.283 0.000 1.656 404 D HN 0.779 nan 8.370 nan 0.000 0.484 405 T N -1.038 113.455 114.554 -0.101 0.000 2.868 405 T HA 0.743 5.093 4.350 0.000 0.000 0.306 405 T C -0.243 174.476 174.700 0.031 0.000 1.224 405 T CA -0.753 61.364 62.100 0.027 0.000 1.012 405 T CB 1.248 70.172 68.868 0.094 0.000 1.221 405 T HN 0.294 nan 8.240 nan 0.000 0.499 406 S N 1.010 116.761 115.700 0.085 0.000 2.767 406 S HA 0.805 5.275 4.470 0.000 0.000 0.300 406 S C -0.413 174.187 174.600 0.001 0.000 1.123 406 S CA -1.100 57.087 58.200 -0.023 0.000 0.992 406 S CB 0.798 64.049 63.200 0.084 0.000 1.138 406 S HN 0.764 nan 8.310 nan 0.000 0.550 407 I N 2.125 122.639 120.570 -0.093 0.000 2.336 407 I HA 0.245 4.415 4.170 0.000 0.000 0.292 407 I C 0.403 176.432 176.117 -0.147 0.000 0.991 407 I CA -0.272 60.916 61.300 -0.187 0.000 1.227 407 I CB 1.391 39.242 38.000 -0.248 0.000 1.366 407 I HN 0.937 nan 8.210 nan 0.000 0.466 408 T N 4.833 119.291 114.554 -0.160 0.000 3.855 408 T HA 0.409 4.759 4.350 0.000 0.000 0.306 408 T C 0.318 174.861 174.700 -0.261 0.000 1.575 408 T CA -0.600 61.431 62.100 -0.115 0.000 1.214 408 T CB -1.201 67.652 68.868 -0.025 0.000 1.262 408 T HN 0.444 nan 8.240 nan 0.000 0.883 409 I N -1.719 118.705 120.570 -0.244 0.000 2.945 409 I HA 0.449 4.619 4.170 0.000 0.000 0.292 409 I C 0.699 176.854 176.117 0.062 0.000 1.093 409 I CA -1.388 59.799 61.300 -0.188 0.000 1.336 409 I CB 0.186 38.105 38.000 -0.135 0.000 1.435 409 I HN 0.301 nan 8.210 nan 0.000 0.593 410 R N 0.654 121.278 120.500 0.206 0.000 3.225 410 R HA -0.137 4.203 4.340 0.000 0.000 0.245 410 R C -0.885 175.514 176.300 0.165 0.000 0.928 410 R CA 0.693 56.893 56.100 0.167 0.000 0.632 410 R CB -2.248 28.104 30.300 0.087 0.000 1.038 410 R HN 0.811 nan 8.270 nan 0.000 0.461 411 T N 0.892 115.597 114.554 0.252 0.000 2.848 411 T HA 0.604 4.954 4.350 0.000 0.000 0.285 411 T C -0.281 174.565 174.700 0.244 0.000 0.995 411 T CA -0.774 61.463 62.100 0.228 0.000 0.970 411 T CB 1.631 70.624 68.868 0.209 0.000 0.976 411 T HN 0.046 nan 8.240 nan 0.000 0.441 412 L N 2.234 123.570 121.223 0.188 0.000 2.331 412 L HA 0.631 4.971 4.340 0.000 0.000 0.275 412 L C 0.490 177.478 176.870 0.197 0.000 1.022 412 L CA -0.526 54.432 54.840 0.196 0.000 0.812 412 L CB 1.716 43.875 42.059 0.166 0.000 1.257 412 L HN 0.550 nan 8.230 nan 0.000 0.435 413 T N 1.808 116.530 114.554 0.279 0.000 2.770 413 T HA 0.702 5.052 4.350 0.000 0.000 0.283 413 T C -0.336 174.565 174.700 0.335 0.000 0.988 413 T CA -0.521 61.738 62.100 0.265 0.000 0.957 413 T CB 1.362 70.385 68.868 0.258 0.000 0.930 413 T HN 0.647 nan 8.240 nan 0.000 0.443 414 A N 4.078 127.038 122.820 0.233 0.000 2.267 414 A HA 0.760 5.080 4.320 0.000 0.000 0.315 414 A C -0.196 177.590 177.584 0.336 0.000 1.297 414 A CA -0.773 51.432 52.037 0.280 0.000 0.865 414 A CB -0.207 18.852 19.000 0.097 0.000 1.165 414 A HN 0.949 nan 8.150 nan 0.000 0.513 415 I N 0.545 121.354 120.570 0.398 0.000 2.468 415 I HA 0.451 4.621 4.170 0.000 0.000 0.284 415 I C -0.454 175.807 176.117 0.240 0.000 1.038 415 I CA -0.417 61.058 61.300 0.291 0.000 1.083 415 I CB 1.334 39.486 38.000 0.252 0.000 1.223 415 I HN 0.506 nan 8.210 nan 0.000 0.443 416 N N 5.519 124.324 118.700 0.175 0.000 2.669 416 N HA -0.213 4.527 4.740 0.000 0.000 0.266 416 N C 1.013 176.442 175.510 -0.135 0.000 1.024 416 N CA 1.609 54.682 53.050 0.038 0.000 0.766 416 N CB -0.788 37.723 38.487 0.040 0.000 0.898 416 N HN 1.444 nan 8.380 nan 0.000 0.548 417 G N -1.205 107.280 108.800 -0.524 0.000 2.241 417 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 417 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 417 G C -0.158 174.527 174.900 -0.359 0.000 0.998 417 G CA 0.337 44.995 45.100 -0.736 0.000 0.621 417 G HN 0.490 nan 8.290 nan 0.000 0.519 418 Q N 0.013 119.820 119.800 0.011 0.000 2.337 418 Q HA 0.728 5.068 4.340 0.000 0.000 0.266 418 Q C -0.854 175.229 176.000 0.139 0.000 1.023 418 Q CA -0.619 55.203 55.803 0.032 0.000 0.829 418 Q CB 2.467 31.215 28.738 0.017 0.000 1.306 418 Q HN 0.580 nan 8.270 nan 0.000 0.449 419 I N 1.457 121.982 120.570 -0.075 0.000 2.608 419 I HA 0.546 4.716 4.170 0.000 0.000 0.295 419 I C -1.685 174.293 176.117 -0.232 0.000 1.049 419 I CA -0.769 60.541 61.300 0.018 0.000 1.063 419 I CB 1.298 39.372 38.000 0.124 0.000 1.248 419 I HN 0.430 nan 8.210 nan 0.000 0.424 420 F N 5.780 125.916 119.950 0.310 0.000 2.546 420 F HA 0.621 5.148 4.527 0.000 0.000 0.320 420 F C -0.392 175.532 175.800 0.206 0.000 1.076 420 F CA -0.744 57.426 58.000 0.284 0.000 0.928 420 F CB 1.831 40.925 39.000 0.157 0.000 1.189 420 F HN 0.367 nan 8.300 nan 0.000 0.465 421 C N 2.008 121.489 119.300 0.302 0.000 2.505 421 C HA 0.739 5.199 4.460 0.000 0.000 0.342 421 C C -0.720 174.199 174.990 -0.118 0.000 1.121 421 C CA -0.333 58.721 59.018 0.061 0.000 1.306 421 C CB -0.015 27.664 27.740 -0.100 0.000 1.897 421 C HN 0.851 nan 8.230 nan 0.000 0.446 422 S N 2.718 118.099 115.700 -0.532 0.000 2.681 422 S HA 0.948 5.418 4.470 0.000 0.000 0.299 422 S C -0.393 173.713 174.600 -0.822 0.000 1.113 422 S CA -0.499 57.081 58.200 -1.034 0.000 1.013 422 S CB 1.755 63.813 63.200 -1.903 0.000 1.076 422 S HN 1.251 nan 8.310 nan 0.000 0.534 423 A N 0.649 123.047 122.820 -0.703 0.000 2.459 423 A HA 0.831 5.151 4.320 0.000 0.000 0.296 423 A C -0.206 177.313 177.584 -0.108 0.000 1.039 423 A CA -0.429 51.497 52.037 -0.185 0.000 0.698 423 A CB 1.325 20.307 19.000 -0.030 0.000 1.261 423 A HN 1.025 nan 8.150 nan 0.000 0.405 424 G N -0.265 108.652 108.800 0.196 0.000 2.866 424 G HA2 0.880 4.840 3.960 0.000 0.000 0.289 424 G HA3 0.880 4.840 3.960 0.000 0.000 0.289 424 G C -0.338 174.661 174.900 0.165 0.000 1.396 424 G CA -0.353 44.852 45.100 0.176 0.000 0.848 424 G HN 1.677 nan 8.290 nan 0.000 0.515 425 G N -1.689 107.212 108.800 0.168 0.000 2.733 425 G HA2 0.640 4.600 3.960 0.000 0.000 0.297 425 G HA3 0.640 4.600 3.960 0.000 0.000 0.297 425 G C -0.279 174.709 174.900 0.147 0.000 1.422 425 G CA 0.192 45.380 45.100 0.146 0.000 0.942 425 G HN 1.075 nan 8.290 nan 0.000 0.510 426 G N -0.301 108.566 108.800 0.112 0.000 2.403 426 G HA2 0.512 4.472 3.960 0.000 0.000 0.259 426 G HA3 0.512 4.472 3.960 0.000 0.000 0.259 426 G C -0.449 174.524 174.900 0.120 0.000 1.244 426 G CA -0.261 44.896 45.100 0.095 0.000 0.849 426 G HN 0.592 nan 8.290 nan 0.000 0.532 427 I N 1.807 122.438 120.570 0.101 0.000 2.378 427 I HA 0.412 4.582 4.170 0.000 0.000 0.291 427 I C 0.252 176.382 176.117 0.021 0.000 0.992 427 I CA -0.765 60.590 61.300 0.091 0.000 1.154 427 I CB 2.065 40.087 38.000 0.037 0.000 1.315 427 I HN 0.427 nan 8.210 nan 0.000 0.448 428 V N 3.036 122.972 119.914 0.036 0.000 3.046 428 V HA 0.758 4.878 4.120 0.000 0.000 0.316 428 V C 1.121 177.217 176.094 0.003 0.000 1.104 428 V CA -0.241 62.071 62.300 0.020 0.000 1.006 428 V CB 1.409 33.266 31.823 0.057 0.000 1.058 428 V HN 0.847 nan 8.190 nan 0.000 0.440 429 A N 0.776 123.581 122.820 -0.025 0.000 1.971 429 A HA -0.293 4.027 4.320 0.000 0.000 0.231 429 A C 1.351 179.003 177.584 0.114 0.000 1.546 429 A CA 2.925 54.956 52.037 -0.009 0.000 0.716 429 A CB -1.085 17.953 19.000 0.062 0.000 0.839 429 A HN 1.036 nan 8.150 nan 0.000 0.513 430 D N -0.711 119.759 120.400 0.116 0.000 2.462 430 D HA 0.195 4.835 4.640 0.000 0.000 0.221 430 D C 0.132 176.538 176.300 0.176 0.000 1.173 430 D CA 0.308 54.394 54.000 0.144 0.000 0.831 430 D CB 0.239 41.106 40.800 0.111 0.000 1.001 430 D HN 0.441 nan 8.370 nan 0.000 0.499 431 S N 0.990 116.822 115.700 0.219 0.000 2.596 431 S HA 0.138 4.608 4.470 0.000 0.000 0.260 431 S C 0.455 175.270 174.600 0.359 0.000 1.336 431 S CA -0.402 57.975 58.200 0.295 0.000 0.993 431 S CB 1.060 64.492 63.200 0.386 0.000 0.923 431 S HN 0.051 nan 8.310 nan 0.000 0.567 432 Q N 1.220 121.151 119.800 0.219 0.000 2.368 432 Q HA 0.257 4.597 4.340 0.000 0.000 0.263 432 Q C 0.849 176.740 176.000 -0.182 0.000 1.009 432 Q CA -0.291 55.556 55.803 0.074 0.000 0.818 432 Q CB 1.289 30.058 28.738 0.052 0.000 1.239 432 Q HN 0.913 nan 8.270 nan 0.000 0.464 433 E N 2.530 122.356 120.200 -0.623 0.000 2.119 433 E HA -0.362 3.988 4.350 0.000 0.000 0.221 433 E C 1.069 177.499 176.600 -0.285 0.000 1.062 433 E CA 2.385 58.202 56.400 -0.973 0.000 0.894 433 E CB 0.306 29.632 29.700 -0.624 0.000 0.785 433 E HN 0.595 nan 8.360 nan 0.000 0.472 434 E N -0.235 119.889 120.200 -0.127 0.000 2.204 434 E HA -0.135 4.215 4.350 0.000 0.000 0.195 434 E C 1.589 178.213 176.600 0.040 0.000 0.990 434 E CA 1.340 57.737 56.400 -0.004 0.000 0.821 434 E CB -0.228 29.462 29.700 -0.015 0.000 0.750 434 E HN 0.397 nan 8.360 nan 0.000 0.477 435 A N 0.629 123.456 122.820 0.011 0.000 1.872 435 A HA -0.116 4.204 4.320 0.000 0.000 0.214 435 A C 2.060 179.680 177.584 0.061 0.000 1.187 435 A CA 1.251 53.310 52.037 0.037 0.000 0.614 435 A CB -0.492 18.530 19.000 0.038 0.000 0.826 435 A HN 0.167 nan 8.150 nan 0.000 0.442 436 E N -0.654 119.596 120.200 0.084 0.000 2.035 436 E HA -0.257 4.093 4.350 0.000 0.000 0.204 436 E C 1.806 178.467 176.600 0.101 0.000 1.025 436 E CA 1.836 58.331 56.400 0.159 0.000 0.835 436 E CB -0.810 29.067 29.700 0.295 0.000 0.764 436 E HN 0.727 nan 8.360 nan 0.000 0.457 437 Y N 1.511 121.771 120.300 -0.067 0.000 2.181 437 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 437 Y C 2.373 178.238 175.900 -0.058 0.000 1.179 437 Y CA 2.047 59.939 58.100 -0.348 0.000 1.179 437 Y CB 0.008 38.273 38.460 -0.326 0.000 0.973 437 Y HN 0.051 nan 8.280 nan 0.000 0.519 438 Q N 0.337 120.135 119.800 -0.004 0.000 2.245 438 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 438 Q C 2.177 178.181 176.000 0.007 0.000 0.955 438 Q CA 1.515 57.287 55.803 -0.052 0.000 0.870 438 Q CB -0.262 28.464 28.738 -0.019 0.000 0.945 438 Q HN 0.799 nan 8.270 nan 0.000 0.461 439 E N 0.178 120.388 120.200 0.017 0.000 2.347 439 E HA -0.122 4.228 4.350 0.000 0.000 0.196 439 E C 1.478 178.091 176.600 0.021 0.000 1.008 439 E CA 1.487 57.905 56.400 0.030 0.000 0.852 439 E CB 0.020 29.747 29.700 0.045 0.000 0.783 439 E HN 0.314 nan 8.360 nan 0.000 0.505 440 T N -0.923 113.619 114.554 -0.019 0.000 2.708 440 T HA -0.143 4.207 4.350 0.000 0.000 0.266 440 T C 1.690 176.347 174.700 -0.072 0.000 1.037 440 T CA 0.988 63.044 62.100 -0.072 0.000 1.146 440 T CB -0.797 67.946 68.868 -0.209 0.000 0.865 440 T HN 0.133 nan 8.240 nan 0.000 0.435 441 F N 2.242 122.091 119.950 -0.168 0.000 2.408 441 F HA 0.064 4.591 4.527 0.000 0.000 0.300 441 F C 2.006 177.712 175.800 -0.157 0.000 1.090 441 F CA 0.780 58.688 58.000 -0.153 0.000 1.427 441 F CB -0.281 38.585 39.000 -0.223 0.000 1.070 441 F HN 0.202 nan 8.300 nan 0.000 0.549 442 D N -0.626 119.802 120.400 0.047 0.000 2.355 442 D HA -0.030 4.610 4.640 0.000 0.000 0.206 442 D C 2.043 178.328 176.300 -0.024 0.000 1.010 442 D CA 0.406 54.406 54.000 0.001 0.000 0.875 442 D CB -0.050 40.755 40.800 0.009 0.000 0.966 442 D HN 0.223 nan 8.370 nan 0.000 0.512 443 K N 0.858 121.251 120.400 -0.012 0.000 2.097 443 K HA -0.052 4.268 4.320 0.000 0.000 0.206 443 K C 1.591 178.167 176.600 -0.040 0.000 1.049 443 K CA 0.963 57.248 56.287 -0.004 0.000 0.933 443 K CB 0.188 32.708 32.500 0.033 0.000 0.717 443 K HN 0.167 nan 8.250 nan 0.000 0.442 444 V N -0.776 119.078 119.914 -0.100 0.000 2.915 444 V HA 0.136 4.256 4.120 0.000 0.000 0.364 444 V C 1.285 177.216 176.094 -0.271 0.000 1.354 444 V CA -0.458 61.745 62.300 -0.161 0.000 1.213 444 V CB -0.160 31.555 31.823 -0.180 0.000 1.268 444 V HN 0.153 nan 8.190 nan 0.000 0.557 445 N N 3.126 121.699 118.700 -0.212 0.000 2.084 445 N HA -0.227 4.513 4.740 0.000 0.000 0.190 445 N C 1.763 177.161 175.510 -0.188 0.000 1.030 445 N CA 2.343 55.263 53.050 -0.217 0.000 0.849 445 N CB -0.071 38.345 38.487 -0.119 0.000 1.012 445 N HN 0.666 nan 8.380 nan 0.000 0.423 446 R N -0.190 120.233 120.500 -0.128 0.000 2.236 446 R HA 0.128 4.468 4.340 0.000 0.000 0.208 446 R C 2.305 178.536 176.300 -0.116 0.000 1.036 446 R CA 0.431 56.471 56.100 -0.100 0.000 1.001 446 R CB -0.095 30.164 30.300 -0.068 0.000 0.896 446 R HN 0.308 nan 8.270 nan 0.000 0.464 447 I N 0.968 121.444 120.570 -0.158 0.000 2.202 447 I HA -0.254 3.916 4.170 0.000 0.000 0.242 447 I C 2.114 178.105 176.117 -0.211 0.000 1.091 447 I CA 1.323 62.527 61.300 -0.160 0.000 1.368 447 I CB -0.144 37.752 38.000 -0.172 0.000 1.058 447 I HN 0.084 nan 8.210 nan 0.000 0.410 448 L N -0.074 120.895 121.223 -0.423 0.000 2.083 448 L HA -0.206 4.134 4.340 0.000 0.000 0.209 448 L C 2.578 179.424 176.870 -0.040 0.000 1.083 448 L CA 0.959 55.411 54.840 -0.647 0.000 0.752 448 L CB -0.797 40.493 42.059 -1.282 0.000 0.899 448 L HN 0.177 nan 8.230 nan 0.000 0.433 449 K N 0.177 120.526 120.400 -0.086 0.000 1.965 449 K HA -0.232 4.088 4.320 0.000 0.000 0.218 449 K C 2.026 178.665 176.600 0.064 0.000 1.048 449 K CA 1.314 57.607 56.287 0.010 0.000 0.960 449 K CB -0.698 31.780 32.500 -0.037 0.000 0.732 449 K HN 0.054 nan 8.250 nan 0.000 0.444 450 Q N 0.566 120.376 119.800 0.017 0.000 2.188 450 Q HA -0.203 4.137 4.340 0.000 0.000 0.217 450 Q C 1.886 177.928 176.000 0.070 0.000 1.018 450 Q CA 1.761 57.575 55.803 0.018 0.000 0.910 450 Q CB -0.567 28.156 28.738 -0.025 0.000 0.979 450 Q HN 0.209 nan 8.270 nan 0.000 0.413 451 L N 0.173 121.488 121.223 0.153 0.000 2.554 451 L HA 0.140 4.480 4.340 0.000 0.000 0.226 451 L C 0.255 177.273 176.870 0.247 0.000 1.137 451 L CA 0.727 55.711 54.840 0.239 0.000 0.863 451 L CB -0.109 42.167 42.059 0.362 0.000 0.985 451 L HN 0.134 nan 8.230 nan 0.000 0.451 452 E N -0.129 120.200 120.200 0.215 0.000 2.249 452 E HA 0.157 4.507 4.350 0.000 0.000 0.280 452 E C 0.026 176.673 176.600 0.080 0.000 1.016 452 E CA -0.376 56.109 56.400 0.143 0.000 0.830 452 E CB 1.288 31.096 29.700 0.181 0.000 1.081 452 E HN 0.012 nan 8.360 nan 0.000 0.395 453 K N 0.000 120.425 120.400 0.042 0.000 2.780 453 K HA 0.000 4.320 4.320 0.000 0.000 0.191 453 K CA 0.000 56.304 56.287 0.028 0.000 0.838 453 K CB 0.000 32.507 32.500 0.011 0.000 1.064 453 K HN 0.000 nan 8.250 nan 0.000 0.543