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 3lf7_1_A DATA FIRST_RESID 21 DATA SEQUENCE YHLDTTAPPP TNLSTLPNNT LFHLWRPRAH ILPAEGQIGD PCAHYTDPST DATA SEQUENCE GLFHVGFLHD GDGIAGATTA NLATYTDTSD NGSFLIQPGG KNDPVAVFDG DATA SEQUENCE AVIPVGVNNT PTLLYTSVSF LPIHWSIPYT RGSETQSLAV ARDGGRRFDK DATA SEQUENCE LDQGPVIADH PFAVDVTAFR DPFVFRSARL DVLLSLDEEV ARNETAVQQA DATA SEQUENCE VDGWTEKNAP WYVAVSGGVH GVGPAQFLYR QNGGNASEFQ YWEYLGEWWQ DATA SEQUENCE EATNSSWGDE GTWAGRWGFN FETGNVLFLT EEGHDPQTGE VFVTLGTEGS DATA SEQUENCE GLPIVPQVSS IHDMLWAAGE VGVGSEQEGA KVEFSPSMAG FLDWGFSAYA DATA SEQUENCE AAGKVLPASS AVSKTSGVEV DRYVSFVWLT GDQYEQADGF PTAQQGWTGS DATA SEQUENCE LLLPRELKVQ TVENVVDNEL VREEGVSWVV GESDNQTATL RTLGITIARE DATA SEQUENCE TKAALLANGS VTAEEDRTLQ TAAVVPFAQS PSSKFFVLTA QLEFPASARS DATA SEQUENCE SPLQSGFEIL ASELERTAIY YQFSNESLVV DRSQTSAAAP TNPGLDSFTE DATA SEQUENCE SGKLRLFDVI ENGQEQVETL DLTVVVDNAV VEVYANGRFA LSTWARSWYD DATA SEQUENCE NSTQIRFFHN GEGEVQFRNV SVSEGLYNAW PER 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 21 Y HA 0.000 nan 4.550 nan 0.000 0.201 21 Y C 0.000 176.002 175.900 0.169 0.000 1.272 21 Y CA 0.000 58.176 58.100 0.126 0.000 1.940 21 Y CB 0.000 38.498 38.460 0.063 0.000 1.050 22 H N 5.951 124.569 119.070 -0.754 0.000 2.489 22 H HA 0.493 5.049 4.556 -0.000 0.000 0.343 22 H C -1.163 173.591 175.328 -0.958 0.000 1.086 22 H CA -1.268 54.386 56.048 -0.657 0.000 1.198 22 H CB 1.956 31.548 29.762 -0.284 0.000 1.490 22 H HN 0.801 nan 8.280 nan 0.000 0.504 23 L N 3.073 123.826 121.223 -0.783 0.000 2.640 23 L HA 0.058 4.398 4.340 -0.000 0.000 0.280 23 L C -0.047 176.571 176.870 -0.419 0.000 1.229 23 L CA 1.125 55.674 54.840 -0.485 0.000 0.919 23 L CB -0.143 41.792 42.059 -0.207 0.000 1.168 23 L HN 0.793 nan 8.230 nan 0.000 0.496 24 D N 2.844 123.104 120.400 -0.233 0.000 2.386 24 D HA 0.127 4.767 4.640 -0.000 0.000 0.247 24 D C 0.245 176.542 176.300 -0.005 0.000 1.336 24 D CA -0.060 53.848 54.000 -0.153 0.000 0.976 24 D CB 1.238 41.936 40.800 -0.170 0.000 1.257 24 D HN 0.641 nan 8.370 nan 0.000 0.570 25 T N -0.072 114.381 114.554 -0.168 0.000 3.434 25 T HA 0.039 4.389 4.350 -0.000 0.000 0.249 25 T C 1.271 175.974 174.700 0.005 0.000 1.050 25 T CA 0.433 62.331 62.100 -0.336 0.000 0.952 25 T CB -0.401 68.076 68.868 -0.651 0.000 1.046 25 T HN 0.340 nan 8.240 nan 0.000 0.590 26 T N -2.631 112.026 114.554 0.171 0.000 3.003 26 T HA 0.641 4.991 4.350 -0.000 0.000 0.261 26 T C 0.657 175.602 174.700 0.409 0.000 1.003 26 T CA -0.002 62.270 62.100 0.287 0.000 0.917 26 T CB 0.240 69.196 68.868 0.147 0.000 1.084 26 T HN 0.506 nan 8.240 nan 0.000 0.522 27 A N 2.002 125.060 122.820 0.396 0.000 2.330 27 A HA 0.832 5.152 4.320 -0.000 0.000 0.329 27 A C -2.911 174.919 177.584 0.409 0.000 1.135 27 A CA -2.279 49.982 52.037 0.374 0.000 0.817 27 A CB 0.704 19.847 19.000 0.239 0.000 1.269 27 A HN 0.158 nan 8.150 nan 0.000 0.469 28 P HA 0.133 nan 4.420 nan 0.000 0.266 28 P C -2.376 174.745 177.300 -0.299 0.000 1.193 28 P CA -0.339 62.761 63.100 0.000 0.000 0.770 28 P CB -0.048 31.664 31.700 0.021 0.000 0.836 29 P HA 0.202 nan 4.420 nan 0.000 0.274 29 P C -2.409 174.493 177.300 -0.664 0.000 1.237 29 P CA -1.524 60.820 63.100 -1.260 0.000 0.793 29 P CB -0.487 29.927 31.700 -2.143 0.000 0.977 30 P HA 0.009 nan 4.420 nan 0.000 0.272 30 P C 1.177 178.265 177.300 -0.353 0.000 1.240 30 P CA 0.025 62.853 63.100 -0.452 0.000 0.791 30 P CB 0.181 31.572 31.700 -0.514 0.000 0.978 31 T N -2.204 112.195 114.554 -0.259 0.000 2.788 31 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 31 T C 0.838 175.428 174.700 -0.184 0.000 1.044 31 T CA 1.013 62.992 62.100 -0.202 0.000 1.139 31 T CB -0.564 68.215 68.868 -0.147 0.000 0.867 31 T HN 0.423 nan 8.240 nan 0.000 0.454 32 N N 0.432 119.027 118.700 -0.174 0.000 2.524 32 N HA 0.376 5.116 4.740 -0.000 0.000 0.261 32 N C 0.501 175.926 175.510 -0.141 0.000 0.998 32 N CA -0.586 52.378 53.050 -0.143 0.000 0.915 32 N CB 0.909 39.332 38.487 -0.107 0.000 1.187 32 N HN 0.186 nan 8.380 nan 0.000 0.507 33 L N 1.159 122.295 121.223 -0.144 0.000 2.191 33 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 33 L C 1.559 178.375 176.870 -0.090 0.000 1.103 33 L CA 0.783 55.557 54.840 -0.110 0.000 0.769 33 L CB -0.151 41.846 42.059 -0.105 0.000 0.908 33 L HN 0.456 nan 8.230 nan 0.000 0.438 34 S N -0.947 114.693 115.700 -0.101 0.000 2.595 34 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 34 S C 1.834 176.407 174.600 -0.045 0.000 0.974 34 S CA 1.332 59.485 58.200 -0.077 0.000 0.942 34 S CB -0.328 62.826 63.200 -0.076 0.000 0.766 34 S HN 0.633 nan 8.310 nan 0.000 0.536 35 T N -1.127 113.401 114.554 -0.043 0.000 3.060 35 T HA 0.306 4.656 4.350 -0.000 0.000 0.249 35 T C 0.394 175.099 174.700 0.008 0.000 1.079 35 T CA -0.275 61.811 62.100 -0.022 0.000 1.013 35 T CB -0.160 68.686 68.868 -0.036 0.000 0.975 35 T HN -0.035 nan 8.240 nan 0.000 0.518 36 L N 2.382 123.617 121.223 0.020 0.000 2.453 36 L HA 0.464 4.804 4.340 -0.000 0.000 0.261 36 L C -2.171 174.732 176.870 0.055 0.000 1.179 36 L CA -2.178 52.705 54.840 0.072 0.000 0.813 36 L CB 0.053 42.173 42.059 0.103 0.000 1.110 36 L HN -0.008 nan 8.230 nan 0.000 0.466 37 P HA 0.064 nan 4.420 nan 0.000 0.269 37 P C -0.834 176.495 177.300 0.048 0.000 1.215 37 P CA -0.351 62.779 63.100 0.051 0.000 0.780 37 P CB 0.317 32.048 31.700 0.051 0.000 0.898 38 N N 2.143 120.870 118.700 0.045 0.000 2.395 38 N HA -0.058 4.681 4.740 -0.000 0.000 0.246 38 N C 0.626 176.179 175.510 0.072 0.000 1.246 38 N CA 0.645 53.729 53.050 0.056 0.000 0.879 38 N CB -0.742 37.778 38.487 0.055 0.000 1.098 38 N HN 0.489 nan 8.380 nan 0.000 0.444 39 N N -1.397 117.369 118.700 0.110 0.000 2.900 39 N HA -0.236 4.504 4.740 -0.000 0.000 0.240 39 N C 0.337 175.931 175.510 0.141 0.000 0.953 39 N CA 1.174 54.328 53.050 0.173 0.000 0.950 39 N CB -1.008 37.546 38.487 0.111 0.000 1.102 39 N HN 0.519 nan 8.380 nan 0.000 0.593 40 T N 0.464 115.067 114.554 0.082 0.000 2.759 40 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 40 T C 1.372 176.090 174.700 0.030 0.000 1.042 40 T CA 0.990 63.123 62.100 0.054 0.000 1.140 40 T CB 0.010 68.909 68.868 0.052 0.000 0.864 40 T HN 0.312 nan 8.240 nan 0.000 0.455 41 L N 0.119 121.342 121.223 0.000 0.000 2.685 41 L HA 0.317 4.657 4.340 -0.000 0.000 0.233 41 L C 1.529 178.381 176.870 -0.030 0.000 1.173 41 L CA -0.267 54.498 54.840 -0.126 0.000 0.961 41 L CB -0.475 41.428 42.059 -0.260 0.000 1.217 41 L HN 0.128 nan 8.230 nan 0.000 0.478 42 F N 1.197 121.127 119.950 -0.033 0.000 2.087 42 F HA -0.302 4.225 4.527 -0.000 0.000 0.299 42 F C 2.222 178.031 175.800 0.015 0.000 1.100 42 F CA 2.151 60.167 58.000 0.028 0.000 1.226 42 F CB 0.043 38.935 39.000 -0.180 0.000 0.983 42 F HN 0.268 nan 8.300 nan 0.000 0.479 43 H N -1.730 117.524 119.070 0.306 0.000 2.563 43 H HA 0.055 4.611 4.556 -0.000 0.000 0.264 43 H C 1.727 177.091 175.328 0.061 0.000 0.957 43 H CA 0.516 56.682 56.048 0.196 0.000 1.173 43 H CB -0.046 29.817 29.762 0.169 0.000 1.420 43 H HN 0.215 nan 8.280 nan 0.000 0.551 44 L N -0.030 121.164 121.223 -0.048 0.000 2.021 44 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 44 L C 0.837 177.565 176.870 -0.238 0.000 1.074 44 L CA 1.763 56.375 54.840 -0.380 0.000 0.760 44 L CB -0.258 41.222 42.059 -0.965 0.000 0.889 44 L HN 0.416 nan 8.230 nan 0.000 0.433 45 W N -0.592 120.816 121.300 0.181 0.000 2.870 45 W HA 0.355 5.015 4.660 -0.000 0.000 0.358 45 W C 0.826 177.572 176.519 0.379 0.000 1.043 45 W CA -0.742 56.740 57.345 0.229 0.000 1.692 45 W CB -0.572 29.002 29.460 0.189 0.000 1.100 45 W HN 0.043 nan 8.180 nan 0.000 0.557 46 R N 3.210 124.029 120.500 0.533 0.000 2.489 46 R HA 0.077 4.417 4.340 -0.000 0.000 0.287 46 R C -1.988 174.420 176.300 0.182 0.000 1.053 46 R CA -0.840 55.391 56.100 0.217 0.000 1.036 46 R CB 0.611 30.833 30.300 -0.129 0.000 0.966 46 R HN -0.262 nan 8.270 nan 0.000 0.432 47 P HA 0.090 nan 4.420 nan 0.000 0.276 47 P C -0.908 176.479 177.300 0.146 0.000 1.261 47 P CA -0.165 63.013 63.100 0.129 0.000 0.800 47 P CB 0.900 32.561 31.700 -0.066 0.000 1.066 48 R N 0.019 120.631 120.500 0.186 0.000 2.369 48 R HA 0.428 4.768 4.340 -0.000 0.000 0.210 48 R C 1.217 177.505 176.300 -0.019 0.000 0.881 48 R CA 0.206 56.330 56.100 0.040 0.000 1.031 48 R CB -0.276 29.921 30.300 -0.171 0.000 1.184 48 R HN 0.310 nan 8.270 nan 0.000 0.581 49 A N 0.557 123.382 122.820 0.009 0.000 2.465 49 A HA 0.335 4.655 4.320 -0.000 0.000 0.255 49 A C -0.803 176.805 177.584 0.041 0.000 1.274 49 A CA -0.389 51.528 52.037 -0.200 0.000 0.920 49 A CB -0.190 18.616 19.000 -0.324 0.000 1.033 49 A HN 0.266 nan 8.150 nan 0.000 0.516 50 H N -1.007 118.086 119.070 0.038 0.000 2.567 50 H HA 0.563 5.119 4.556 -0.000 0.000 0.345 50 H C -0.274 175.162 175.328 0.181 0.000 1.169 50 H CA -0.750 55.344 56.048 0.076 0.000 1.227 50 H CB 1.094 30.876 29.762 0.033 0.000 1.607 50 H HN 0.177 nan 8.280 nan 0.000 0.534 51 I N 4.099 124.774 120.570 0.175 0.000 2.379 51 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 51 I C -0.978 175.153 176.117 0.023 0.000 1.063 51 I CA -0.221 61.175 61.300 0.160 0.000 1.351 51 I CB -0.217 37.727 38.000 -0.095 0.000 1.410 51 I HN 0.204 nan 8.210 nan 0.000 0.505 52 L N 6.544 127.724 121.223 -0.073 0.000 2.710 52 L HA 0.689 5.029 4.340 -0.000 0.000 0.260 52 L C -3.003 173.502 176.870 -0.608 0.000 0.993 52 L CA -2.333 52.261 54.840 -0.409 0.000 0.877 52 L CB 0.479 42.370 42.059 -0.281 0.000 1.461 52 L HN 0.152 nan 8.230 nan 0.000 0.413 53 P HA 0.183 nan 4.420 nan 0.000 0.273 53 P C 0.497 177.531 177.300 -0.443 0.000 1.250 53 P CA 0.202 63.014 63.100 -0.479 0.000 0.793 53 P CB 0.779 32.160 31.700 -0.532 0.000 1.011 54 A N 0.675 123.281 122.820 -0.357 0.000 1.978 54 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 54 A C 1.033 178.623 177.584 0.010 0.000 1.170 54 A CA 1.563 53.472 52.037 -0.214 0.000 0.636 54 A CB -0.595 18.327 19.000 -0.130 0.000 0.810 54 A HN 0.760 nan 8.150 nan 0.000 0.448 55 E N -3.762 116.490 120.200 0.086 0.000 2.442 55 E HA 0.462 4.812 4.350 -0.000 0.000 0.278 55 E C 0.183 176.987 176.600 0.340 0.000 1.082 55 E CA -0.258 56.317 56.400 0.292 0.000 0.861 55 E CB -0.050 29.859 29.700 0.347 0.000 1.462 55 E HN 1.524 nan 8.360 nan 0.000 0.458 56 G N 0.691 109.723 108.800 0.386 0.000 2.693 56 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.226 56 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.226 56 G C -0.588 174.537 174.900 0.375 0.000 1.354 56 G CA 0.446 45.759 45.100 0.356 0.000 0.873 56 G HN 1.020 nan 8.290 nan 0.000 0.562 57 Q N -0.930 119.070 119.800 0.333 0.000 2.226 57 Q HA 0.811 5.151 4.340 -0.000 0.000 0.256 57 Q C -0.163 176.087 176.000 0.418 0.000 0.962 57 Q CA -0.853 55.143 55.803 0.322 0.000 0.887 57 Q CB 1.900 30.773 28.738 0.224 0.000 1.282 57 Q HN 1.464 nan 8.270 nan 0.000 0.449 58 I N 1.585 122.356 120.570 0.334 0.000 2.509 58 I HA 0.803 4.973 4.170 -0.000 0.000 0.293 58 I C -0.369 175.917 176.117 0.282 0.000 1.020 58 I CA -0.755 60.704 61.300 0.265 0.000 1.088 58 I CB 1.714 39.707 38.000 -0.012 0.000 1.267 58 I HN 0.876 nan 8.210 nan 0.000 0.430 59 G N 4.410 113.226 108.800 0.026 0.000 3.039 59 G HA2 0.262 4.222 3.960 -0.000 0.000 0.159 59 G HA3 0.262 4.222 3.960 -0.000 0.000 0.159 59 G C -1.023 173.302 174.900 -0.958 0.000 1.284 59 G CA -0.511 44.270 45.100 -0.531 0.000 0.996 59 G HN 0.561 nan 8.290 nan 0.000 0.592 60 D N 2.160 122.019 120.400 -0.903 0.000 2.525 60 D HA 0.217 4.857 4.640 -0.000 0.000 0.235 60 D C -1.822 174.390 176.300 -0.147 0.000 1.137 60 D CA -0.326 53.371 54.000 -0.505 0.000 0.868 60 D CB 0.953 41.589 40.800 -0.273 0.000 1.180 60 D HN 0.042 nan 8.370 nan 0.000 0.465 61 P HA 0.292 nan 4.420 nan 0.000 0.276 61 P C -0.529 176.763 177.300 -0.012 0.000 1.244 61 P CA -0.433 62.753 63.100 0.143 0.000 0.801 61 P CB 1.053 32.943 31.700 0.316 0.000 1.006 62 C N -1.060 118.099 119.300 -0.234 0.000 3.233 62 C HA 0.595 5.054 4.460 -0.000 0.000 0.358 62 C C 0.273 174.936 174.990 -0.544 0.000 1.461 62 C CA 0.169 58.980 59.018 -0.345 0.000 1.180 62 C CB 0.472 28.127 27.740 -0.142 0.000 1.604 62 C HN 0.744 nan 8.230 nan 0.000 0.437 63 A N 0.561 123.160 122.820 -0.368 0.000 2.748 63 A HA -0.165 4.155 4.320 -0.000 0.000 0.297 63 A C 0.153 177.640 177.584 -0.161 0.000 1.508 63 A CA 1.395 53.257 52.037 -0.293 0.000 0.799 63 A CB -2.086 16.706 19.000 -0.347 0.000 1.011 63 A HN 0.922 nan 8.150 nan 0.000 0.500 64 H N -1.093 117.978 119.070 0.002 0.000 2.607 64 H HA 0.620 5.176 4.556 -0.000 0.000 0.367 64 H C 0.185 175.554 175.328 0.068 0.000 1.181 64 H CA 1.043 57.030 56.048 -0.103 0.000 1.402 64 H CB 0.414 30.166 29.762 -0.018 0.000 1.474 64 H HN 1.017 nan 8.280 nan 0.000 0.596 65 Y N -2.902 117.271 120.300 -0.211 0.000 2.661 65 Y HA 0.246 4.796 4.550 -0.000 0.000 0.339 65 Y C -1.499 174.393 175.900 -0.014 0.000 1.186 65 Y CA -1.021 57.062 58.100 -0.028 0.000 1.137 65 Y CB 0.337 38.767 38.460 -0.050 0.000 1.354 65 Y HN 0.405 nan 8.280 nan 0.000 0.469 66 T N 3.349 118.076 114.554 0.288 0.000 2.733 66 T HA 0.151 4.501 4.350 -0.000 0.000 0.294 66 T C -0.828 174.010 174.700 0.230 0.000 0.956 66 T CA -0.196 62.069 62.100 0.275 0.000 0.987 66 T CB 0.390 69.466 68.868 0.348 0.000 0.920 66 T HN 0.640 nan 8.240 nan 0.000 0.470 67 D N 4.584 125.043 120.400 0.099 0.000 2.382 67 D HA 0.122 4.762 4.640 -0.000 0.000 0.259 67 D C -1.472 174.919 176.300 0.151 0.000 1.224 67 D CA -2.140 51.954 54.000 0.156 0.000 0.894 67 D CB 1.498 42.345 40.800 0.079 0.000 1.127 67 D HN 0.135 nan 8.370 nan 0.000 0.487 68 P HA -0.141 nan 4.420 nan 0.000 0.216 68 P C 1.399 178.752 177.300 0.088 0.000 1.150 68 P CA 0.893 64.064 63.100 0.118 0.000 0.837 68 P CB 0.240 32.005 31.700 0.109 0.000 0.786 69 S N -1.290 114.456 115.700 0.077 0.000 2.368 69 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 69 S C 1.836 176.472 174.600 0.060 0.000 1.029 69 S CA 2.118 60.353 58.200 0.058 0.000 0.988 69 S CB -1.034 62.193 63.200 0.045 0.000 0.838 69 S HN 0.317 nan 8.310 nan 0.000 0.462 70 T N -3.915 110.685 114.554 0.076 0.000 2.971 70 T HA 0.457 4.807 4.350 -0.000 0.000 0.252 70 T C 1.593 176.338 174.700 0.074 0.000 1.022 70 T CA 0.992 63.134 62.100 0.071 0.000 0.980 70 T CB 0.138 69.055 68.868 0.081 0.000 1.044 70 T HN 0.909 nan 8.240 nan 0.000 0.501 71 G N 1.632 110.488 108.800 0.094 0.000 2.179 71 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 71 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 71 G C 0.014 174.982 174.900 0.114 0.000 0.977 71 G CA 0.276 45.435 45.100 0.098 0.000 0.641 71 G HN 0.646 nan 8.290 nan 0.000 0.533 72 L N 0.018 121.310 121.223 0.116 0.000 2.439 72 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 72 L C 0.605 177.591 176.870 0.192 0.000 1.179 72 L CA -0.766 54.139 54.840 0.108 0.000 0.828 72 L CB 0.540 42.625 42.059 0.044 0.000 1.106 72 L HN 0.130 nan 8.230 nan 0.000 0.467 73 F N 2.754 122.708 119.950 0.006 0.000 2.405 73 F HA 0.309 4.836 4.527 0.000 0.000 0.355 73 F C 0.278 176.057 175.800 -0.035 0.000 1.121 73 F CA -0.354 57.658 58.000 0.020 0.000 1.112 73 F CB 0.300 39.322 39.000 0.036 0.000 1.126 73 F HN 0.329 nan 8.300 nan 0.000 0.481 74 H N 5.321 123.816 119.070 -0.959 0.000 2.473 74 H HA 0.514 5.070 4.556 -0.000 0.000 0.327 74 H C -0.719 174.119 175.328 -0.817 0.000 1.105 74 H CA -0.854 54.727 56.048 -0.779 0.000 1.280 74 H CB 1.869 31.049 29.762 -0.970 0.000 1.450 74 H HN 0.331 nan 8.280 nan 0.000 0.492 75 V N 2.195 121.921 119.914 -0.312 0.000 2.628 75 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 75 V C 0.530 176.612 176.094 -0.019 0.000 1.045 75 V CA -0.695 61.501 62.300 -0.173 0.000 0.905 75 V CB 1.957 33.615 31.823 -0.275 0.000 0.997 75 V HN 0.959 nan 8.190 nan 0.000 0.436 76 G N 2.393 111.242 108.800 0.083 0.000 2.619 76 G HA2 0.893 4.853 3.960 -0.000 0.000 0.296 76 G HA3 0.893 4.853 3.960 -0.000 0.000 0.296 76 G C -1.533 173.353 174.900 -0.023 0.000 1.334 76 G CA -0.589 44.418 45.100 -0.155 0.000 0.934 76 G HN 0.925 nan 8.290 nan 0.000 0.476 77 F N -1.145 118.745 119.950 -0.100 0.000 2.708 77 F HA 0.596 5.123 4.527 -0.000 0.000 0.309 77 F C -1.046 174.716 175.800 -0.063 0.000 1.120 77 F CA -1.648 56.299 58.000 -0.089 0.000 0.978 77 F CB 0.734 39.698 39.000 -0.061 0.000 1.283 77 F HN 0.474 nan 8.300 nan 0.000 0.439 78 L N 2.538 123.858 121.223 0.162 0.000 2.467 78 L HA 0.338 4.678 4.340 -0.000 0.000 0.270 78 L C -0.657 176.422 176.870 0.349 0.000 1.205 78 L CA 0.004 54.937 54.840 0.154 0.000 0.828 78 L CB 0.398 42.487 42.059 0.049 0.000 1.101 78 L HN 0.831 nan 8.230 nan 0.000 0.479 79 H N 2.230 121.424 119.070 0.205 0.000 3.017 79 H HA 0.180 4.736 4.556 -0.000 0.000 0.340 79 H C -0.595 174.917 175.328 0.306 0.000 1.014 79 H CA -0.994 55.181 56.048 0.212 0.000 1.341 79 H CB 0.900 30.633 29.762 -0.049 0.000 1.739 79 H HN 0.631 nan 8.280 nan 0.000 0.506 80 D N 3.892 124.360 120.400 0.113 0.000 2.983 80 D HA -0.173 4.467 4.640 -0.000 0.000 0.225 80 D C 1.097 177.464 176.300 0.111 0.000 1.174 80 D CA 1.800 55.826 54.000 0.043 0.000 0.831 80 D CB -1.365 39.370 40.800 -0.109 0.000 1.104 80 D HN 1.166 nan 8.370 nan 0.000 0.421 81 G N 0.760 109.654 108.800 0.156 0.000 2.258 81 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.274 81 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.274 81 G C 0.270 175.247 174.900 0.127 0.000 1.021 81 G CA 0.765 45.953 45.100 0.148 0.000 0.798 81 G HN 0.528 nan 8.290 nan 0.000 0.507 82 D N -0.708 119.776 120.400 0.140 0.000 2.804 82 D HA 0.512 5.152 4.640 -0.000 0.000 0.308 82 D C 0.957 177.229 176.300 -0.046 0.000 1.371 82 D CA 1.319 55.315 54.000 -0.007 0.000 0.823 82 D CB -0.176 40.537 40.800 -0.146 0.000 1.126 82 D HN 1.357 nan 8.370 nan 0.000 0.467 83 G N -0.091 108.810 108.800 0.169 0.000 2.343 83 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.562 83 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.562 83 G C -1.083 173.999 174.900 0.303 0.000 1.269 83 G CA -0.797 44.414 45.100 0.185 0.000 1.011 83 G HN 0.131 nan 8.290 nan 0.000 0.498 84 I N 1.430 122.102 120.570 0.171 0.000 2.354 84 I HA 0.612 4.782 4.170 -0.000 0.000 0.292 84 I C 0.824 176.895 176.117 -0.077 0.000 0.989 84 I CA -0.495 60.798 61.300 -0.011 0.000 1.188 84 I CB 1.494 39.398 38.000 -0.160 0.000 1.342 84 I HN 0.949 nan 8.210 nan 0.000 0.457 85 A N 4.561 127.124 122.820 -0.429 0.000 2.299 85 A HA 0.955 5.275 4.320 -0.000 0.000 0.332 85 A C -0.040 177.081 177.584 -0.773 0.000 1.131 85 A CA -0.451 51.187 52.037 -0.666 0.000 0.844 85 A CB 1.456 19.871 19.000 -0.974 0.000 1.251 85 A HN 0.805 nan 8.150 nan 0.000 0.486 86 G N -1.650 106.855 108.800 -0.493 0.000 2.680 86 G HA2 0.845 4.804 3.960 -0.000 0.000 0.290 86 G HA3 0.845 4.804 3.960 -0.000 0.000 0.290 86 G C -0.827 174.000 174.900 -0.121 0.000 1.355 86 G CA -0.015 44.903 45.100 -0.304 0.000 0.903 86 G HN 1.882 nan 8.290 nan 0.000 0.474 87 A N -0.634 122.168 122.820 -0.030 0.000 2.610 87 A HA 0.963 5.283 4.320 -0.000 0.000 0.291 87 A C -0.314 177.232 177.584 -0.064 0.000 1.086 87 A CA 0.082 52.168 52.037 0.081 0.000 0.677 87 A CB 1.524 20.732 19.000 0.346 0.000 1.278 87 A HN 1.926 nan 8.150 nan 0.000 0.414 88 T N -1.887 112.630 114.554 -0.061 0.000 2.896 88 T HA 0.841 5.191 4.350 -0.000 0.000 0.297 88 T C -0.473 174.192 174.700 -0.058 0.000 1.108 88 T CA -0.245 61.737 62.100 -0.196 0.000 1.004 88 T CB 1.848 70.475 68.868 -0.401 0.000 1.159 88 T HN 1.706 nan 8.240 nan 0.000 0.499 89 T N -0.761 113.752 114.554 -0.068 0.000 2.894 89 T HA 0.668 5.018 4.350 -0.000 0.000 0.309 89 T C 0.101 174.748 174.700 -0.088 0.000 1.208 89 T CA -0.017 61.983 62.100 -0.166 0.000 1.016 89 T CB 1.365 70.023 68.868 -0.351 0.000 1.192 89 T HN 1.124 nan 8.240 nan 0.000 0.491 90 A N 2.643 125.389 122.820 -0.124 0.000 2.431 90 A HA 0.333 4.653 4.320 -0.000 0.000 0.239 90 A C 1.034 178.568 177.584 -0.084 0.000 1.230 90 A CA 0.494 52.490 52.037 -0.070 0.000 0.928 90 A CB -0.201 18.760 19.000 -0.065 0.000 1.006 90 A HN 0.853 nan 8.150 nan 0.000 0.520 91 N N -2.407 116.209 118.700 -0.140 0.000 2.067 91 N HA 0.139 4.879 4.740 -0.000 0.000 0.227 91 N C 0.164 175.573 175.510 -0.168 0.000 1.348 91 N CA 0.230 53.193 53.050 -0.145 0.000 0.879 91 N CB 0.149 38.540 38.487 -0.161 0.000 1.109 91 N HN 0.379 nan 8.380 nan 0.000 0.501 92 L N -0.848 120.253 121.223 -0.203 0.000 3.608 92 L HA -0.200 4.140 4.340 -0.000 0.000 0.422 92 L C 0.392 177.149 176.870 -0.188 0.000 1.260 92 L CA 0.768 55.514 54.840 -0.156 0.000 0.889 92 L CB -1.531 40.468 42.059 -0.099 0.000 1.821 92 L HN 0.505 nan 8.230 nan 0.000 0.884 93 A N -2.332 120.278 122.820 -0.351 0.000 1.773 93 A HA 0.587 4.907 4.320 -0.000 0.000 0.210 93 A C 0.696 178.120 177.584 -0.266 0.000 1.775 93 A CA 0.772 52.678 52.037 -0.219 0.000 1.157 93 A CB 0.308 19.146 19.000 -0.270 0.000 1.119 93 A HN 0.855 nan 8.150 nan 0.000 0.501 94 T N -1.981 112.277 114.554 -0.494 0.000 2.918 94 T HA 0.749 5.099 4.350 -0.000 0.000 0.286 94 T C -0.842 173.295 174.700 -0.939 0.000 1.026 94 T CA -0.442 61.362 62.100 -0.492 0.000 1.031 94 T CB 1.345 70.082 68.868 -0.218 0.000 1.046 94 T HN 0.221 nan 8.240 nan 0.000 0.479 95 Y N -0.526 119.460 120.300 -0.524 0.000 2.602 95 Y HA 0.677 5.227 4.550 -0.000 0.000 0.342 95 Y C 0.373 176.059 175.900 -0.357 0.000 1.029 95 Y CA -1.013 56.725 58.100 -0.603 0.000 1.080 95 Y CB 2.722 40.461 38.460 -1.202 0.000 1.284 95 Y HN 0.738 nan 8.280 nan 0.000 0.485 96 T N 1.599 116.184 114.554 0.051 0.000 2.928 96 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 96 T C -1.294 173.582 174.700 0.292 0.000 1.000 96 T CA -0.998 61.221 62.100 0.199 0.000 0.989 96 T CB 0.959 69.869 68.868 0.069 0.000 1.005 96 T HN 0.425 nan 8.240 nan 0.000 0.442 97 D N 2.196 122.819 120.400 0.371 0.000 2.423 97 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 97 D C 1.547 177.910 176.300 0.105 0.000 1.142 97 D CA 0.266 54.407 54.000 0.235 0.000 0.884 97 D CB 1.498 42.375 40.800 0.129 0.000 1.199 97 D HN 0.673 nan 8.370 nan 0.000 0.438 98 T N -1.396 113.189 114.554 0.052 0.000 2.904 98 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 98 T C 1.010 175.732 174.700 0.036 0.000 1.059 98 T CA 0.596 62.714 62.100 0.030 0.000 1.137 98 T CB 0.067 68.952 68.868 0.029 0.000 0.879 98 T HN 0.474 nan 8.240 nan 0.000 0.467 99 S N 0.629 116.349 115.700 0.033 0.000 2.636 99 S HA 0.473 4.943 4.470 -0.000 0.000 0.268 99 S C -1.617 173.004 174.600 0.035 0.000 1.159 99 S CA -0.907 57.316 58.200 0.039 0.000 0.815 99 S CB 1.636 64.864 63.200 0.048 0.000 1.130 99 S HN 0.446 nan 8.310 nan 0.000 0.471 100 D N -0.062 120.364 120.400 0.042 0.000 2.478 100 D HA 0.291 4.931 4.640 -0.000 0.000 0.274 100 D C 0.220 176.559 176.300 0.066 0.000 1.234 100 D CA -0.239 53.786 54.000 0.042 0.000 1.069 100 D CB -0.261 40.563 40.800 0.039 0.000 1.113 100 D HN 0.937 nan 8.370 nan 0.000 0.571 101 N N -1.532 117.213 118.700 0.075 0.000 2.740 101 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 101 N C 0.791 176.414 175.510 0.188 0.000 1.062 101 N CA 2.259 55.379 53.050 0.117 0.000 0.704 101 N CB -1.259 37.294 38.487 0.109 0.000 0.968 101 N HN 1.002 nan 8.380 nan 0.000 0.547 102 G N -1.555 107.327 108.800 0.136 0.000 2.254 102 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 102 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 102 G C 0.484 175.273 174.900 -0.184 0.000 1.003 102 G CA 0.745 45.901 45.100 0.093 0.000 0.622 102 G HN 1.626 nan 8.290 nan 0.000 0.507 103 S N -0.948 114.721 115.700 -0.053 0.000 3.641 103 S HA -0.210 4.260 4.470 -0.000 0.000 0.346 103 S C 0.423 174.930 174.600 -0.156 0.000 1.074 103 S CA 0.977 59.123 58.200 -0.091 0.000 1.026 103 S CB -1.705 61.414 63.200 -0.136 0.000 0.908 103 S HN 1.205 nan 8.310 nan 0.000 0.479 104 F N 0.614 120.573 119.950 0.015 0.000 2.471 104 F HA 0.330 4.857 4.527 -0.000 0.000 0.353 104 F C 1.504 177.296 175.800 -0.013 0.000 1.113 104 F CA -0.013 57.982 58.000 -0.009 0.000 1.262 104 F CB 0.593 39.599 39.000 0.009 0.000 1.146 104 F HN 0.152 nan 8.300 nan 0.000 0.578 105 L N 3.021 124.349 121.223 0.175 0.000 2.362 105 L HA 0.366 4.706 4.340 -0.000 0.000 0.204 105 L C 0.148 177.093 176.870 0.126 0.000 1.060 105 L CA 0.404 55.340 54.840 0.159 0.000 0.827 105 L CB 0.403 42.552 42.059 0.150 0.000 1.027 105 L HN 0.497 nan 8.230 nan 0.000 0.474 106 I N -0.560 120.043 120.570 0.056 0.000 2.722 106 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 106 I C -1.682 174.386 176.117 -0.082 0.000 1.267 106 I CA -0.329 60.936 61.300 -0.058 0.000 1.036 106 I CB 2.190 40.053 38.000 -0.229 0.000 1.281 106 I HN 0.044 nan 8.210 nan 0.000 0.423 107 Q N 7.413 127.136 119.800 -0.129 0.000 2.451 107 Q HA 0.573 4.913 4.340 -0.000 0.000 0.281 107 Q C -2.597 173.325 176.000 -0.130 0.000 1.099 107 Q CA -1.851 53.843 55.803 -0.181 0.000 0.806 107 Q CB 2.361 30.902 28.738 -0.327 0.000 1.419 107 Q HN 0.392 nan 8.270 nan 0.000 0.427 108 P HA 0.062 nan 4.420 nan 0.000 0.274 108 P C 0.218 177.469 177.300 -0.081 0.000 1.260 108 P CA 0.458 63.513 63.100 -0.075 0.000 0.793 108 P CB 0.539 32.197 31.700 -0.069 0.000 1.048 109 G N -1.873 106.886 108.800 -0.068 0.000 2.205 109 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.180 109 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.180 109 G C 0.433 175.302 174.900 -0.052 0.000 1.004 109 G CA -0.117 44.943 45.100 -0.066 0.000 0.670 109 G HN 0.873 nan 8.290 nan 0.000 0.496 110 G N -0.378 108.399 108.800 -0.038 0.000 2.543 110 G HA2 0.532 4.492 3.960 -0.000 0.000 0.290 110 G HA3 0.532 4.492 3.960 -0.000 0.000 0.290 110 G C 0.871 175.748 174.900 -0.037 0.000 1.310 110 G CA 0.250 45.336 45.100 -0.024 0.000 1.025 110 G HN 0.240 nan 8.290 nan 0.000 0.502 111 K N -0.498 119.884 120.400 -0.030 0.000 2.155 111 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 111 K C 1.969 178.538 176.600 -0.051 0.000 1.052 111 K CA 1.029 57.293 56.287 -0.039 0.000 0.948 111 K CB 0.067 32.551 32.500 -0.026 0.000 0.728 111 K HN 0.276 nan 8.250 nan 0.000 0.448 112 N N 1.334 120.008 118.700 -0.044 0.000 2.395 112 N HA -0.079 4.661 4.740 -0.000 0.000 0.175 112 N C -0.195 175.263 175.510 -0.088 0.000 1.029 112 N CA 1.032 54.042 53.050 -0.066 0.000 0.897 112 N CB 0.197 38.637 38.487 -0.077 0.000 0.991 112 N HN 0.290 nan 8.380 nan 0.000 0.441 113 D N -0.753 119.611 120.400 -0.060 0.000 2.886 113 D HA 0.159 4.799 4.640 -0.000 0.000 0.355 113 D C -2.088 174.154 176.300 -0.096 0.000 1.274 113 D CA -1.587 52.369 54.000 -0.073 0.000 0.836 113 D CB 0.960 41.782 40.800 0.035 0.000 1.109 113 D HN 0.053 nan 8.370 nan 0.000 0.488 114 P HA -0.135 nan 4.420 nan 0.000 0.220 114 P C 1.188 178.402 177.300 -0.143 0.000 1.148 114 P CA 0.440 63.458 63.100 -0.137 0.000 0.803 114 P CB 0.643 32.242 31.700 -0.168 0.000 0.782 115 V N -0.912 118.895 119.914 -0.179 0.000 2.492 115 V HA 0.340 4.460 4.120 -0.000 0.000 0.241 115 V C 1.341 177.366 176.094 -0.115 0.000 1.041 115 V CA 1.384 63.593 62.300 -0.151 0.000 1.057 115 V CB -0.473 31.239 31.823 -0.186 0.000 0.711 115 V HN 0.230 nan 8.190 nan 0.000 0.468 116 A N -1.107 121.621 122.820 -0.154 0.000 2.564 116 A HA 0.708 5.028 4.320 -0.000 0.000 0.291 116 A C -1.782 175.729 177.584 -0.122 0.000 1.102 116 A CA -0.331 51.639 52.037 -0.113 0.000 0.660 116 A CB 1.676 20.627 19.000 -0.080 0.000 1.283 116 A HN -0.064 nan 8.150 nan 0.000 0.430 117 V N 1.729 121.654 119.914 0.019 0.000 2.407 117 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 117 V C -0.964 175.334 176.094 0.339 0.000 1.018 117 V CA -0.345 62.030 62.300 0.124 0.000 0.842 117 V CB 0.901 32.742 31.823 0.030 0.000 0.996 117 V HN 0.691 nan 8.190 nan 0.000 0.426 118 F N 1.100 121.131 119.950 0.136 0.000 2.450 118 F HA 0.538 5.064 4.527 -0.000 0.000 0.361 118 F C 0.924 176.769 175.800 0.074 0.000 1.092 118 F CA -1.682 56.372 58.000 0.090 0.000 1.105 118 F CB 0.403 39.456 39.000 0.090 0.000 1.458 118 F HN 0.429 nan 8.300 nan 0.000 0.496 119 D N -0.218 120.316 120.400 0.225 0.000 2.474 119 D HA 0.378 5.018 4.640 -0.000 0.000 0.232 119 D C 0.362 176.722 176.300 0.101 0.000 1.177 119 D CA 0.825 54.882 54.000 0.096 0.000 0.876 119 D CB 0.362 41.196 40.800 0.056 0.000 1.208 119 D HN 0.673 nan 8.370 nan 0.000 0.464 120 G N -1.634 107.176 108.800 0.018 0.000 2.649 120 G HA2 0.695 4.655 3.960 -0.000 0.000 0.290 120 G HA3 0.695 4.655 3.960 -0.000 0.000 0.290 120 G C -1.840 173.003 174.900 -0.096 0.000 1.426 120 G CA -0.192 44.901 45.100 -0.013 0.000 0.794 120 G HN 0.613 nan 8.290 nan 0.000 0.483 121 A N -0.969 121.764 122.820 -0.145 0.000 2.527 121 A HA 0.886 5.205 4.320 -0.000 0.000 0.293 121 A C -1.233 176.189 177.584 -0.269 0.000 1.117 121 A CA -0.622 51.294 52.037 -0.201 0.000 0.723 121 A CB 1.901 20.756 19.000 -0.242 0.000 1.313 121 A HN 1.415 nan 8.150 nan 0.000 0.411 122 V N 1.171 120.922 119.914 -0.272 0.000 2.628 122 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 122 V C -0.492 175.371 176.094 -0.385 0.000 1.045 122 V CA -0.281 61.810 62.300 -0.348 0.000 0.905 122 V CB 1.640 33.185 31.823 -0.463 0.000 0.997 122 V HN 0.688 nan 8.190 nan 0.000 0.436 123 I N 6.355 126.636 120.570 -0.482 0.000 2.307 123 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 123 I C -1.545 174.349 176.117 -0.372 0.000 1.021 123 I CA -1.739 59.160 61.300 -0.667 0.000 1.224 123 I CB 2.055 39.564 38.000 -0.818 0.000 1.376 123 I HN 0.475 nan 8.210 nan 0.000 0.470 124 P HA -0.151 nan 4.420 nan 0.000 0.215 124 P C 0.179 177.449 177.300 -0.049 0.000 1.157 124 P CA 1.181 64.257 63.100 -0.041 0.000 0.874 124 P CB 0.165 31.961 31.700 0.160 0.000 0.790 125 V N -0.699 119.233 119.914 0.031 0.000 2.257 125 V HA 0.527 4.647 4.120 -0.000 0.000 0.269 125 V C 0.854 176.935 176.094 -0.023 0.000 1.040 125 V CA 0.079 62.400 62.300 0.034 0.000 0.813 125 V CB 0.424 32.332 31.823 0.142 0.000 1.065 125 V HN 0.133 nan 8.190 nan 0.000 0.457 126 G N 3.210 111.854 108.800 -0.259 0.000 3.306 126 G HA2 0.451 4.411 3.960 -0.000 0.000 0.202 126 G HA3 0.451 4.411 3.960 -0.000 0.000 0.202 126 G C -0.030 174.393 174.900 -0.794 0.000 1.673 126 G CA -0.361 44.306 45.100 -0.720 0.000 0.776 126 G HN 0.346 nan 8.290 nan 0.000 0.740 127 V N 2.113 121.570 119.914 -0.761 0.000 2.655 127 V HA 0.144 4.264 4.120 -0.000 0.000 0.300 127 V C 0.412 176.368 176.094 -0.230 0.000 1.044 127 V CA 0.159 62.202 62.300 -0.428 0.000 1.095 127 V CB 0.852 32.498 31.823 -0.295 0.000 0.952 127 V HN 0.674 nan 8.190 nan 0.000 0.485 128 N N 3.510 122.133 118.700 -0.128 0.000 2.714 128 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 128 N C 0.502 175.964 175.510 -0.079 0.000 1.117 128 N CA 1.093 54.095 53.050 -0.081 0.000 0.719 128 N CB -1.320 37.116 38.487 -0.085 0.000 1.081 128 N HN 0.898 nan 8.380 nan 0.000 0.557 129 N N -2.568 116.084 118.700 -0.080 0.000 2.714 129 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 129 N C -0.033 175.432 175.510 -0.075 0.000 1.117 129 N CA 1.759 54.779 53.050 -0.049 0.000 0.719 129 N CB -1.673 36.809 38.487 -0.008 0.000 1.081 129 N HN 0.806 nan 8.380 nan 0.000 0.557 130 T N -4.044 110.429 114.554 -0.135 0.000 2.926 130 T HA 0.612 4.962 4.350 -0.000 0.000 0.289 130 T C -3.066 171.506 174.700 -0.214 0.000 1.054 130 T CA -2.104 59.905 62.100 -0.152 0.000 1.015 130 T CB 2.939 71.707 68.868 -0.166 0.000 1.167 130 T HN -0.302 nan 8.240 nan 0.000 0.526 131 P HA 0.214 nan 4.420 nan 0.000 0.260 131 P C -0.647 176.493 177.300 -0.266 0.000 1.185 131 P CA 0.230 63.114 63.100 -0.361 0.000 0.763 131 P CB 0.095 31.449 31.700 -0.576 0.000 0.776 132 T N 4.732 119.129 114.554 -0.261 0.000 2.786 132 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 132 T C -0.381 174.221 174.700 -0.163 0.000 0.992 132 T CA -0.467 61.526 62.100 -0.180 0.000 0.954 132 T CB 0.525 69.199 68.868 -0.324 0.000 0.934 132 T HN 0.118 nan 8.240 nan 0.000 0.440 133 L N 4.762 125.956 121.223 -0.048 0.000 2.276 133 L HA 0.665 5.005 4.340 -0.000 0.000 0.286 133 L C -1.014 175.806 176.870 -0.084 0.000 1.061 133 L CA -0.688 54.028 54.840 -0.206 0.000 0.807 133 L CB 0.682 42.461 42.059 -0.468 0.000 1.177 133 L HN 0.522 nan 8.230 nan 0.000 0.429 134 L N 7.632 128.771 121.223 -0.141 0.000 2.294 134 L HA 0.543 4.883 4.340 -0.000 0.000 0.283 134 L C -1.108 175.713 176.870 -0.082 0.000 1.015 134 L CA -0.263 54.480 54.840 -0.163 0.000 0.831 134 L CB 0.677 42.548 42.059 -0.313 0.000 1.217 134 L HN 0.672 nan 8.230 nan 0.000 0.420 135 Y N 0.775 120.953 120.300 -0.203 0.000 2.634 135 Y HA 0.758 5.308 4.550 -0.000 0.000 0.340 135 Y C -0.415 175.412 175.900 -0.121 0.000 1.058 135 Y CA -1.130 56.880 58.100 -0.151 0.000 1.081 135 Y CB 1.065 39.441 38.460 -0.141 0.000 1.295 135 Y HN 0.350 nan 8.280 nan 0.000 0.487 136 T N 2.813 117.352 114.554 -0.026 0.000 2.723 136 T HA 0.309 4.659 4.350 -0.000 0.000 0.297 136 T C -0.429 174.197 174.700 -0.124 0.000 0.925 136 T CA -0.540 61.497 62.100 -0.104 0.000 1.030 136 T CB -0.242 68.688 68.868 0.103 0.000 0.905 136 T HN 0.678 nan 8.240 nan 0.000 0.502 137 S N 2.850 118.348 115.700 -0.337 0.000 2.457 137 S HA 0.559 5.029 4.470 -0.000 0.000 0.289 137 S C -0.059 174.414 174.600 -0.211 0.000 1.163 137 S CA -0.905 57.155 58.200 -0.232 0.000 1.078 137 S CB 0.886 63.896 63.200 -0.318 0.000 0.987 137 S HN 0.396 nan 8.310 nan 0.000 0.482 138 V N 3.392 123.141 119.914 -0.276 0.000 2.427 138 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 138 V C 0.492 176.426 176.094 -0.267 0.000 1.034 138 V CA -0.452 61.645 62.300 -0.337 0.000 0.893 138 V CB 1.473 32.899 31.823 -0.661 0.000 0.982 138 V HN 1.056 nan 8.190 nan 0.000 0.452 139 S N 2.961 118.506 115.700 -0.258 0.000 2.559 139 S HA 0.451 4.921 4.470 -0.000 0.000 0.226 139 S C -0.309 173.720 174.600 -0.952 0.000 1.030 139 S CA 0.135 58.022 58.200 -0.521 0.000 0.956 139 S CB 0.240 63.141 63.200 -0.497 0.000 0.900 139 S HN 0.546 nan 8.310 nan 0.000 0.510 140 F N 0.746 120.639 119.950 -0.096 0.000 2.601 140 F HA 0.642 5.169 4.527 -0.000 0.000 0.309 140 F C -0.658 175.101 175.800 -0.068 0.000 1.089 140 F CA -0.898 57.053 58.000 -0.081 0.000 0.940 140 F CB 1.441 40.382 39.000 -0.098 0.000 1.273 140 F HN -0.171 nan 8.300 nan 0.000 0.450 141 L N 2.849 124.157 121.223 0.142 0.000 2.424 141 L HA 0.624 4.964 4.340 -0.000 0.000 0.258 141 L C -2.219 174.706 176.870 0.092 0.000 0.995 141 L CA -1.746 53.157 54.840 0.105 0.000 0.821 141 L CB 2.525 44.635 42.059 0.086 0.000 1.383 141 L HN 0.489 nan 8.230 nan 0.000 0.410 142 P HA 0.484 nan 4.420 nan 0.000 0.276 142 P C -1.247 176.116 177.300 0.106 0.000 1.261 142 P CA -0.318 62.839 63.100 0.095 0.000 0.800 142 P CB 1.524 33.265 31.700 0.067 0.000 1.066 143 I N 0.905 121.579 120.570 0.174 0.000 2.500 143 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 143 I C -0.352 175.941 176.117 0.294 0.000 1.063 143 I CA -0.429 60.999 61.300 0.214 0.000 1.062 143 I CB 1.531 39.704 38.000 0.287 0.000 1.223 143 I HN 0.461 nan 8.210 nan 0.000 0.435 144 H N 6.260 125.424 119.070 0.156 0.000 3.094 144 H HA 0.112 4.668 4.556 -0.000 0.000 0.346 144 H C -0.253 175.132 175.328 0.094 0.000 1.238 144 H CA -0.722 55.368 56.048 0.069 0.000 1.209 144 H CB 2.155 31.851 29.762 -0.111 0.000 1.911 144 H HN 0.805 nan 8.280 nan 0.000 0.540 145 W N 3.110 124.291 121.300 -0.199 0.000 2.421 145 W HA -0.096 4.564 4.660 -0.000 0.000 0.270 145 W C 0.591 177.186 176.519 0.126 0.000 1.233 145 W CA 1.114 58.422 57.345 -0.061 0.000 1.226 145 W CB -0.928 28.439 29.460 -0.155 0.000 1.121 145 W HN 0.398 nan 8.180 nan 0.000 0.579 146 S N 0.819 116.276 115.700 -0.404 0.000 2.631 146 S HA 0.221 4.691 4.470 -0.000 0.000 0.217 146 S C 0.638 175.199 174.600 -0.064 0.000 0.958 146 S CA 0.041 57.983 58.200 -0.429 0.000 0.920 146 S CB -1.099 61.466 63.200 -1.058 0.000 0.776 146 S HN 0.410 nan 8.310 nan 0.000 0.517 147 I N -3.619 117.013 120.570 0.102 0.000 3.074 147 I HA 0.673 4.843 4.170 -0.000 0.000 0.310 147 I C -3.289 172.922 176.117 0.158 0.000 1.153 147 I CA -3.276 58.073 61.300 0.081 0.000 0.993 147 I CB 1.039 39.049 38.000 0.017 0.000 1.237 147 I HN -0.302 nan 8.210 nan 0.000 0.443 148 P HA 0.002 nan 4.420 nan 0.000 0.265 148 P C -1.527 175.842 177.300 0.115 0.000 1.187 148 P CA 0.505 63.592 63.100 -0.021 0.000 0.766 148 P CB 0.064 31.731 31.700 -0.055 0.000 0.820 149 Y N 2.320 122.643 120.300 0.039 0.000 2.336 149 Y HA 0.203 4.753 4.550 -0.000 0.000 0.335 149 Y C 0.338 176.251 175.900 0.022 0.000 1.046 149 Y CA 0.153 58.313 58.100 0.099 0.000 1.198 149 Y CB 0.523 39.069 38.460 0.144 0.000 1.182 149 Y HN 0.223 nan 8.280 nan 0.000 0.502 150 T N 7.502 121.814 114.554 -0.404 0.000 2.761 150 T HA 0.174 4.523 4.350 -0.000 0.000 0.296 150 T C -0.156 174.336 174.700 -0.346 0.000 0.934 150 T CA -0.524 61.370 62.100 -0.344 0.000 1.091 150 T CB -0.015 68.634 68.868 -0.365 0.000 0.896 150 T HN 0.515 nan 8.240 nan 0.000 0.515 151 R N 2.488 122.906 120.500 -0.138 0.000 2.537 151 R HA 0.294 4.634 4.340 -0.000 0.000 0.281 151 R C 1.422 177.678 176.300 -0.073 0.000 0.988 151 R CA 1.456 57.564 56.100 0.013 0.000 1.077 151 R CB -0.622 29.667 30.300 -0.019 0.000 0.932 151 R HN 0.941 nan 8.270 nan 0.000 0.409 152 G N 2.172 111.041 108.800 0.116 0.000 2.159 152 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 152 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 152 G C 0.947 176.031 174.900 0.307 0.000 0.977 152 G CA 0.591 45.799 45.100 0.181 0.000 0.652 152 G HN 0.606 nan 8.290 nan 0.000 0.531 153 S N 0.053 115.865 115.700 0.186 0.000 2.356 153 S HA 0.047 4.517 4.470 -0.000 0.000 0.223 153 S C 0.893 175.586 174.600 0.156 0.000 1.032 153 S CA 1.685 59.988 58.200 0.171 0.000 1.005 153 S CB 0.001 63.071 63.200 -0.216 0.000 0.867 153 S HN 0.771 nan 8.310 nan 0.000 0.449 154 E N 0.781 121.149 120.200 0.279 0.000 2.224 154 E HA 0.455 4.805 4.350 -0.000 0.000 0.265 154 E C -0.670 176.087 176.600 0.262 0.000 0.878 154 E CA -0.477 56.069 56.400 0.243 0.000 0.759 154 E CB 1.985 31.913 29.700 0.380 0.000 1.164 154 E HN 0.313 nan 8.360 nan 0.000 0.414 155 T N -0.094 114.506 114.554 0.076 0.000 2.901 155 T HA 0.421 4.771 4.350 -0.000 0.000 0.293 155 T C -0.647 173.962 174.700 -0.151 0.000 1.084 155 T CA -1.183 60.937 62.100 0.033 0.000 1.008 155 T CB 1.639 70.502 68.868 -0.009 0.000 1.170 155 T HN 0.131 nan 8.240 nan 0.000 0.509 156 Q N 1.238 120.912 119.800 -0.210 0.000 2.325 156 Q HA 0.667 5.007 4.340 -0.000 0.000 0.262 156 Q C -0.735 175.030 176.000 -0.393 0.000 0.968 156 Q CA -0.521 55.061 55.803 -0.367 0.000 0.877 156 Q CB 1.796 30.279 28.738 -0.424 0.000 1.253 156 Q HN 0.739 nan 8.270 nan 0.000 0.448 157 S N 1.654 117.002 115.700 -0.587 0.000 2.689 157 S HA 0.708 5.178 4.470 -0.000 0.000 0.306 157 S C -0.150 174.263 174.600 -0.311 0.000 1.104 157 S CA -0.721 57.193 58.200 -0.477 0.000 0.973 157 S CB 1.229 64.086 63.200 -0.572 0.000 1.121 157 S HN 0.416 nan 8.310 nan 0.000 0.523 158 L N 1.281 122.447 121.223 -0.095 0.000 2.334 158 L HA 0.868 5.208 4.340 -0.000 0.000 0.273 158 L C -0.238 176.707 176.870 0.126 0.000 1.013 158 L CA -0.665 54.185 54.840 0.015 0.000 0.816 158 L CB 1.620 43.677 42.059 -0.004 0.000 1.278 158 L HN 0.760 nan 8.230 nan 0.000 0.431 159 A N 2.378 125.281 122.820 0.138 0.000 2.549 159 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 159 A C -1.378 176.306 177.584 0.166 0.000 1.061 159 A CA -0.454 51.680 52.037 0.162 0.000 0.690 159 A CB 1.972 21.087 19.000 0.191 0.000 1.287 159 A HN 0.331 nan 8.150 nan 0.000 0.402 160 V N 1.396 121.346 119.914 0.059 0.000 2.555 160 V HA 0.691 4.811 4.120 -0.000 0.000 0.302 160 V C 0.821 176.689 176.094 -0.377 0.000 1.038 160 V CA -0.323 61.916 62.300 -0.102 0.000 0.887 160 V CB 1.519 33.260 31.823 -0.135 0.000 0.991 160 V HN 1.427 nan 8.190 nan 0.000 0.434 161 A N 5.837 128.191 122.820 -0.777 0.000 2.462 161 A HA 0.680 5.000 4.320 -0.000 0.000 0.243 161 A C 0.268 177.531 177.584 -0.536 0.000 1.076 161 A CA 0.070 51.396 52.037 -1.185 0.000 0.773 161 A CB 0.273 18.569 19.000 -1.174 0.000 1.010 161 A HN 0.858 nan 8.150 nan 0.000 0.493 162 R N 0.183 120.431 120.500 -0.421 0.000 2.764 162 R HA 0.348 4.688 4.340 -0.000 0.000 0.270 162 R C -1.181 175.034 176.300 -0.143 0.000 1.014 162 R CA -0.588 55.382 56.100 -0.217 0.000 0.904 162 R CB 1.293 31.497 30.300 -0.159 0.000 1.236 162 R HN 0.865 nan 8.270 nan 0.000 0.466 163 D N 0.461 120.811 120.400 -0.084 0.000 2.697 163 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 163 D C 0.610 176.899 176.300 -0.019 0.000 1.167 163 D CA 1.806 55.781 54.000 -0.041 0.000 0.656 163 D CB -1.006 39.777 40.800 -0.029 0.000 1.025 163 D HN 0.951 nan 8.370 nan 0.000 0.419 164 G N -0.274 108.516 108.800 -0.016 0.000 2.225 164 G HA2 0.046 4.006 3.960 -0.000 0.000 0.267 164 G HA3 0.046 4.006 3.960 -0.000 0.000 0.267 164 G C 1.448 176.416 174.900 0.113 0.000 1.024 164 G CA 0.889 46.013 45.100 0.041 0.000 0.784 164 G HN 1.851 nan 8.290 nan 0.000 0.507 165 G N -1.276 107.523 108.800 -0.001 0.000 2.159 165 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.256 165 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.256 165 G C 0.968 175.954 174.900 0.144 0.000 0.977 165 G CA 1.099 46.223 45.100 0.040 0.000 0.652 165 G HN 0.972 nan 8.290 nan 0.000 0.531 166 R N -0.422 120.120 120.500 0.070 0.000 2.323 166 R HA 0.229 4.569 4.340 -0.000 0.000 0.198 166 R C 1.121 177.462 176.300 0.068 0.000 0.988 166 R CA 0.767 56.913 56.100 0.075 0.000 1.041 166 R CB 0.279 30.605 30.300 0.043 0.000 0.926 166 R HN 0.441 nan 8.270 nan 0.000 0.476 167 R N -0.239 120.274 120.500 0.021 0.000 2.664 167 R HA 0.198 4.538 4.340 -0.000 0.000 0.260 167 R C -1.939 174.304 176.300 -0.095 0.000 1.062 167 R CA -0.547 55.574 56.100 0.035 0.000 0.902 167 R CB 1.068 31.369 30.300 0.001 0.000 1.258 167 R HN -0.106 nan 8.270 nan 0.000 0.465 168 F N 2.222 122.140 119.950 -0.053 0.000 2.460 168 F HA 0.334 4.861 4.527 -0.000 0.000 0.341 168 F C -0.347 175.402 175.800 -0.085 0.000 1.130 168 F CA -0.536 57.411 58.000 -0.088 0.000 0.962 168 F CB 1.730 40.649 39.000 -0.134 0.000 1.171 168 F HN 0.286 nan 8.300 nan 0.000 0.436 169 D N 4.320 124.726 120.400 0.010 0.000 2.249 169 D HA 0.171 4.811 4.640 -0.000 0.000 0.246 169 D C -0.139 176.182 176.300 0.035 0.000 1.114 169 D CA -0.388 53.615 54.000 0.005 0.000 0.854 169 D CB 1.290 42.069 40.800 -0.035 0.000 1.132 169 D HN 0.386 nan 8.370 nan 0.000 0.461 170 K N 1.675 122.100 120.400 0.043 0.000 2.401 170 K HA 0.191 4.511 4.320 -0.000 0.000 0.278 170 K C 0.400 177.023 176.600 0.038 0.000 1.018 170 K CA -0.316 56.015 56.287 0.073 0.000 0.981 170 K CB 0.934 33.483 32.500 0.082 0.000 0.933 170 K HN 0.259 nan 8.250 nan 0.000 0.477 171 L N 2.077 123.321 121.223 0.036 0.000 2.439 171 L HA -0.014 4.326 4.340 -0.000 0.000 0.269 171 L C 0.608 177.482 176.870 0.007 0.000 1.179 171 L CA -0.110 54.735 54.840 0.008 0.000 0.828 171 L CB 0.327 42.386 42.059 -0.001 0.000 1.106 171 L HN 0.651 nan 8.230 nan 0.000 0.467 172 D N 2.883 123.282 120.400 -0.002 0.000 2.688 172 D HA 0.171 4.811 4.640 -0.000 0.000 0.228 172 D C -0.353 175.944 176.300 -0.004 0.000 1.116 172 D CA 0.033 54.032 54.000 -0.003 0.000 1.023 172 D CB 0.082 40.879 40.800 -0.005 0.000 1.100 172 D HN 0.512 nan 8.370 nan 0.000 0.487 173 Q N -0.531 119.266 119.800 -0.005 0.000 2.738 173 Q HA 0.574 4.914 4.340 -0.000 0.000 0.301 173 Q C -0.112 175.880 176.000 -0.013 0.000 0.901 173 Q CA -1.416 54.383 55.803 -0.007 0.000 0.756 173 Q CB 0.261 28.993 28.738 -0.010 0.000 1.463 173 Q HN 0.071 nan 8.270 nan 0.000 0.432 174 G N 0.636 109.428 108.800 -0.012 0.000 2.621 174 G HA2 0.509 4.469 3.960 -0.000 0.000 0.271 174 G HA3 0.509 4.469 3.960 -0.000 0.000 0.271 174 G C -2.220 172.657 174.900 -0.037 0.000 1.236 174 G CA -1.108 43.980 45.100 -0.020 0.000 0.958 174 G HN 0.610 nan 8.290 nan 0.000 0.512 175 P HA -0.011 nan 4.420 nan 0.000 0.267 175 P C 1.147 178.418 177.300 -0.049 0.000 1.201 175 P CA 0.108 63.155 63.100 -0.089 0.000 0.775 175 P CB 1.077 32.720 31.700 -0.095 0.000 0.854 176 V N -0.106 119.769 119.914 -0.064 0.000 3.406 176 V HA 0.175 4.295 4.120 -0.000 0.000 0.263 176 V C 1.076 177.204 176.094 0.057 0.000 1.172 176 V CA 0.886 63.199 62.300 0.022 0.000 1.140 176 V CB -0.716 31.180 31.823 0.123 0.000 0.784 176 V HN 0.330 nan 8.190 nan 0.000 0.467 177 I N 1.088 121.626 120.570 -0.053 0.000 2.641 177 I HA 0.542 4.712 4.170 -0.000 0.000 0.275 177 I C 0.892 177.013 176.117 0.008 0.000 1.129 177 I CA -0.162 61.118 61.300 -0.034 0.000 1.094 177 I CB 1.450 39.312 38.000 -0.230 0.000 1.232 177 I HN 0.078 nan 8.210 nan 0.000 0.503 178 A N 3.243 126.084 122.820 0.035 0.000 2.278 178 A HA 0.193 4.513 4.320 -0.000 0.000 0.212 178 A C 0.208 177.800 177.584 0.014 0.000 1.213 178 A CA 0.664 52.717 52.037 0.026 0.000 0.840 178 A CB -0.212 18.804 19.000 0.027 0.000 0.866 178 A HN 0.654 nan 8.150 nan 0.000 0.489 179 D N -2.077 118.315 120.400 -0.013 0.000 2.683 179 D HA 0.340 4.980 4.640 -0.000 0.000 0.246 179 D C -0.587 175.449 176.300 -0.439 0.000 1.238 179 D CA -0.584 53.301 54.000 -0.191 0.000 0.759 179 D CB 0.574 41.238 40.800 -0.227 0.000 1.349 179 D HN 0.357 nan 8.370 nan 0.000 0.426 180 H N -0.918 117.752 119.070 -0.666 0.000 2.597 180 H HA 0.600 5.156 4.556 -0.000 0.000 0.370 180 H C -2.301 172.564 175.328 -0.771 0.000 1.281 180 H CA -1.485 53.722 56.048 -1.402 0.000 1.422 180 H CB -0.945 28.023 29.762 -1.323 0.000 1.524 180 H HN 0.031 nan 8.280 nan 0.000 0.607 181 P HA -0.114 nan 4.420 nan 0.000 0.263 181 P C -0.534 176.716 177.300 -0.083 0.000 1.175 181 P CA 0.298 63.140 63.100 -0.429 0.000 0.761 181 P CB 0.085 31.465 31.700 -0.533 0.000 0.794 182 F N 4.065 123.936 119.950 -0.131 0.000 2.593 182 F HA 0.128 4.655 4.527 -0.000 0.000 0.393 182 F C 1.257 177.063 175.800 0.011 0.000 1.037 182 F CA 0.883 58.846 58.000 -0.061 0.000 1.195 182 F CB -0.508 38.478 39.000 -0.022 0.000 1.034 182 F HN 0.639 nan 8.300 nan 0.000 0.552 183 A N 3.358 125.710 122.820 -0.780 0.000 2.861 183 A HA -0.214 4.106 4.320 -0.000 0.000 0.261 183 A C -0.006 177.452 177.584 -0.209 0.000 1.351 183 A CA 0.900 52.573 52.037 -0.606 0.000 0.904 183 A CB -2.672 15.821 19.000 -0.844 0.000 1.076 183 A HN 0.656 nan 8.150 nan 0.000 0.729 184 V N 1.124 120.984 119.914 -0.090 0.000 2.432 184 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 184 V C 0.582 176.541 176.094 -0.225 0.000 1.043 184 V CA 0.203 62.449 62.300 -0.090 0.000 0.925 184 V CB 1.576 33.366 31.823 -0.055 0.000 0.985 184 V HN 0.450 nan 8.190 nan 0.000 0.466 185 D N 4.496 124.816 120.400 -0.134 0.000 2.608 185 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 185 D C 0.255 176.501 176.300 -0.090 0.000 1.123 185 D CA -0.119 53.815 54.000 -0.110 0.000 1.030 185 D CB 0.284 41.092 40.800 0.014 0.000 1.093 185 D HN 0.453 nan 8.370 nan 0.000 0.497 186 V N 1.304 120.962 119.914 -0.426 0.000 2.843 186 V HA 0.229 4.349 4.120 -0.000 0.000 0.305 186 V C 1.438 177.333 176.094 -0.330 0.000 1.065 186 V CA 0.337 62.405 62.300 -0.388 0.000 1.116 186 V CB 0.914 32.330 31.823 -0.678 0.000 0.968 186 V HN 0.433 nan 8.190 nan 0.000 0.487 187 T N 0.260 114.662 114.554 -0.254 0.000 3.035 187 T HA 0.612 4.962 4.350 -0.000 0.000 0.259 187 T C 0.626 175.353 174.700 0.045 0.000 1.078 187 T CA 0.530 62.494 62.100 -0.226 0.000 1.132 187 T CB 0.074 68.803 68.868 -0.231 0.000 0.900 187 T HN 1.893 nan 8.240 nan 0.000 0.480 188 A N 0.276 123.097 122.820 0.002 0.000 2.599 188 A HA 0.654 4.974 4.320 -0.000 0.000 0.294 188 A C -2.074 175.685 177.584 0.292 0.000 1.055 188 A CA -0.858 51.305 52.037 0.211 0.000 0.683 188 A CB 0.894 20.062 19.000 0.279 0.000 1.278 188 A HN 0.301 nan 8.150 nan 0.000 0.412 189 F N 2.086 122.137 119.950 0.167 0.000 2.971 189 F HA 0.542 5.069 4.527 -0.000 0.000 0.373 189 F C 0.006 175.938 175.800 0.221 0.000 1.288 189 F CA -0.163 57.929 58.000 0.153 0.000 1.204 189 F CB 0.452 39.445 39.000 -0.011 0.000 1.852 189 F HN 0.869 nan 8.300 nan 0.000 0.624 190 R N 0.616 121.169 120.500 0.089 0.000 2.810 190 R HA 0.597 4.936 4.340 -0.000 0.000 0.266 190 R C -1.349 174.989 176.300 0.062 0.000 1.061 190 R CA -0.819 55.319 56.100 0.064 0.000 0.943 190 R CB 0.798 31.271 30.300 0.289 0.000 1.237 190 R HN 0.103 nan 8.270 nan 0.000 0.459 191 D N -0.031 120.419 120.400 0.083 0.000 2.760 191 D HA -0.076 4.564 4.640 -0.000 0.000 0.244 191 D C -2.265 174.093 176.300 0.097 0.000 1.123 191 D CA 0.565 54.622 54.000 0.095 0.000 0.719 191 D CB -1.086 39.781 40.800 0.110 0.000 1.045 191 D HN 0.515 nan 8.370 nan 0.000 0.426 192 P HA 0.190 nan 4.420 nan 0.000 0.268 192 P C -0.446 176.942 177.300 0.146 0.000 1.204 192 P CA -0.068 63.047 63.100 0.025 0.000 0.768 192 P CB 0.407 32.017 31.700 -0.151 0.000 0.842 193 F N 4.702 124.719 119.950 0.111 0.000 2.507 193 F HA 0.363 4.890 4.527 -0.000 0.000 0.328 193 F C -0.481 175.515 175.800 0.327 0.000 1.136 193 F CA -0.877 57.245 58.000 0.203 0.000 0.930 193 F CB 1.563 40.710 39.000 0.244 0.000 1.166 193 F HN 0.203 nan 8.300 nan 0.000 0.436 194 V N 4.572 124.357 119.914 -0.215 0.000 2.617 194 V HA 0.833 4.953 4.120 -0.000 0.000 0.298 194 V C -0.948 175.422 176.094 0.460 0.000 1.048 194 V CA -0.660 61.715 62.300 0.126 0.000 0.964 194 V CB 1.228 33.018 31.823 -0.055 0.000 1.004 194 V HN 0.847 nan 8.190 nan 0.000 0.466 195 F N 0.699 121.045 119.950 0.661 0.000 2.770 195 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 195 F C -0.860 175.263 175.800 0.539 0.000 1.154 195 F CA -1.383 57.027 58.000 0.684 0.000 0.923 195 F CB 1.512 40.952 39.000 0.732 0.000 1.301 195 F HN 0.559 nan 8.300 nan 0.000 0.449 196 R N 0.793 121.563 120.500 0.450 0.000 2.832 196 R HA 0.798 5.138 4.340 -0.000 0.000 0.271 196 R C -1.373 174.999 176.300 0.120 0.000 0.996 196 R CA -1.255 54.954 56.100 0.182 0.000 0.977 196 R CB 2.036 32.315 30.300 -0.036 0.000 1.168 196 R HN 0.831 nan 8.270 nan 0.000 0.482 197 S N 0.056 115.724 115.700 -0.053 0.000 2.592 197 S HA 0.381 4.851 4.470 -0.000 0.000 0.275 197 S C -0.033 174.070 174.600 -0.829 0.000 1.169 197 S CA -0.236 57.572 58.200 -0.653 0.000 0.958 197 S CB 1.656 64.594 63.200 -0.436 0.000 1.095 197 S HN 0.729 nan 8.310 nan 0.000 0.471 198 A N 4.958 126.843 122.820 -1.560 0.000 1.897 198 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 198 A C 2.173 179.323 177.584 -0.724 0.000 1.181 198 A CA 0.771 51.681 52.037 -1.879 0.000 0.620 198 A CB -0.505 17.480 19.000 -1.693 0.000 0.821 198 A HN 0.741 nan 8.150 nan 0.000 0.443 199 R N -0.015 120.191 120.500 -0.489 0.000 2.091 199 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 199 R C 1.997 178.223 176.300 -0.123 0.000 1.136 199 R CA 1.571 57.546 56.100 -0.208 0.000 0.959 199 R CB -0.788 29.459 30.300 -0.087 0.000 0.856 199 R HN 0.611 nan 8.270 nan 0.000 0.437 200 L N 0.225 121.354 121.223 -0.157 0.000 2.072 200 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 200 L C 2.038 178.938 176.870 0.050 0.000 1.079 200 L CA 1.257 56.032 54.840 -0.108 0.000 0.752 200 L CB -0.589 41.180 42.059 -0.482 0.000 0.906 200 L HN 0.082 nan 8.230 nan 0.000 0.436 201 D N -0.016 120.444 120.400 0.100 0.000 2.104 201 D HA -0.162 4.477 4.640 -0.000 0.000 0.194 201 D C 2.312 178.689 176.300 0.128 0.000 0.994 201 D CA 1.153 55.281 54.000 0.212 0.000 0.830 201 D CB -0.278 40.728 40.800 0.344 0.000 0.959 201 D HN 0.068 nan 8.370 nan 0.000 0.452 202 V N 0.991 120.937 119.914 0.053 0.000 2.261 202 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 202 V C 2.695 178.816 176.094 0.046 0.000 1.047 202 V CA 1.144 63.473 62.300 0.048 0.000 1.015 202 V CB -0.527 31.299 31.823 0.005 0.000 0.642 202 V HN 0.207 nan 8.190 nan 0.000 0.446 203 L N -0.751 120.493 121.223 0.035 0.000 2.079 203 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 203 L C 2.268 179.173 176.870 0.060 0.000 1.081 203 L CA 1.531 56.397 54.840 0.043 0.000 0.752 203 L CB -0.371 41.716 42.059 0.046 0.000 0.896 203 L HN 0.336 nan 8.230 nan 0.000 0.433 204 L N -1.326 119.945 121.223 0.081 0.000 2.446 204 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 204 L C 2.579 179.491 176.870 0.070 0.000 1.116 204 L CA 0.768 55.661 54.840 0.087 0.000 0.844 204 L CB -0.199 41.937 42.059 0.128 0.000 0.970 204 L HN 0.319 nan 8.230 nan 0.000 0.457 205 S N -0.673 115.069 115.700 0.069 0.000 2.441 205 S HA 0.117 4.587 4.470 -0.000 0.000 0.224 205 S C 0.973 175.599 174.600 0.043 0.000 1.043 205 S CA -0.227 58.007 58.200 0.055 0.000 0.948 205 S CB -0.324 62.915 63.200 0.065 0.000 0.810 205 S HN 0.131 nan 8.310 nan 0.000 0.504 206 L N 2.592 123.840 121.223 0.042 0.000 2.476 206 L HA 0.203 4.543 4.340 -0.000 0.000 0.264 206 L C 0.291 177.178 176.870 0.028 0.000 1.224 206 L CA -0.462 54.398 54.840 0.033 0.000 0.821 206 L CB 0.118 42.195 42.059 0.030 0.000 1.101 206 L HN 0.296 nan 8.230 nan 0.000 0.488 207 D N 0.518 120.932 120.400 0.023 0.000 2.361 207 D HA -0.055 4.585 4.640 -0.000 0.000 0.239 207 D C 0.943 177.255 176.300 0.020 0.000 1.200 207 D CA -0.046 53.965 54.000 0.020 0.000 0.915 207 D CB 0.635 41.445 40.800 0.016 0.000 1.170 207 D HN 0.642 nan 8.370 nan 0.000 0.444 208 E N -0.137 120.074 120.200 0.019 0.000 2.204 208 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 208 E C 1.382 177.991 176.600 0.015 0.000 0.989 208 E CA 1.024 57.435 56.400 0.019 0.000 0.824 208 E CB 0.023 29.734 29.700 0.018 0.000 0.756 208 E HN 0.567 nan 8.360 nan 0.000 0.477 209 E N 0.619 120.826 120.200 0.013 0.000 2.216 209 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 209 E C 2.017 178.623 176.600 0.010 0.000 0.973 209 E CA 0.442 56.848 56.400 0.010 0.000 0.851 209 E CB 0.474 30.179 29.700 0.009 0.000 0.804 209 E HN 0.199 nan 8.360 nan 0.000 0.477 210 V N 0.344 120.265 119.914 0.012 0.000 2.871 210 V HA 0.057 4.177 4.120 -0.000 0.000 0.256 210 V C 1.717 177.819 176.094 0.013 0.000 1.082 210 V CA 1.512 63.819 62.300 0.012 0.000 1.105 210 V CB 0.106 31.938 31.823 0.014 0.000 0.713 210 V HN 0.364 nan 8.190 nan 0.000 0.473 211 A N -0.486 122.343 122.820 0.015 0.000 2.278 211 A HA 0.175 4.495 4.320 -0.000 0.000 0.212 211 A C 2.032 179.623 177.584 0.012 0.000 1.213 211 A CA 0.053 52.100 52.037 0.016 0.000 0.840 211 A CB -0.289 18.725 19.000 0.022 0.000 0.866 211 A HN 0.447 nan 8.150 nan 0.000 0.489 212 R N 1.262 121.767 120.500 0.009 0.000 2.112 212 R HA 0.007 4.346 4.340 -0.000 0.000 0.216 212 R C 0.319 176.620 176.300 0.001 0.000 1.080 212 R CA 0.590 56.693 56.100 0.004 0.000 0.996 212 R CB -0.633 29.670 30.300 0.004 0.000 0.902 212 R HN 0.758 nan 8.270 nan 0.000 0.449 213 N N 2.020 120.722 118.700 0.003 0.000 2.444 213 N HA 0.001 4.741 4.740 -0.000 0.000 0.271 213 N C 0.147 175.658 175.510 0.002 0.000 1.069 213 N CA 0.087 53.138 53.050 0.001 0.000 0.965 213 N CB 1.444 39.933 38.487 0.003 0.000 1.092 213 N HN 0.081 nan 8.380 nan 0.000 0.476 214 E N 1.564 121.763 120.200 -0.001 0.000 2.204 214 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 214 E C 0.909 177.510 176.600 0.001 0.000 0.989 214 E CA 1.279 57.678 56.400 -0.002 0.000 0.824 214 E CB -0.092 29.604 29.700 -0.006 0.000 0.756 214 E HN 0.698 nan 8.360 nan 0.000 0.477 215 T N 1.610 116.166 114.554 0.002 0.000 2.595 215 T HA -0.230 4.120 4.350 -0.000 0.000 0.264 215 T C 2.165 176.869 174.700 0.007 0.000 1.058 215 T CA 1.619 63.722 62.100 0.004 0.000 1.166 215 T CB -0.447 68.424 68.868 0.004 0.000 0.863 215 T HN 0.305 nan 8.240 nan 0.000 0.415 216 A N 1.031 123.856 122.820 0.008 0.000 1.892 216 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 216 A C 2.633 180.225 177.584 0.014 0.000 1.188 216 A CA 1.935 53.979 52.037 0.012 0.000 0.631 216 A CB -1.285 17.722 19.000 0.012 0.000 0.822 216 A HN 0.352 nan 8.150 nan 0.000 0.447 217 V N -0.250 119.670 119.914 0.011 0.000 2.255 217 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 217 V C 2.734 178.832 176.094 0.008 0.000 1.051 217 V CA 2.444 64.750 62.300 0.010 0.000 1.018 217 V CB -0.885 30.940 31.823 0.004 0.000 0.641 217 V HN 0.699 nan 8.190 nan 0.000 0.445 218 Q N -0.056 119.746 119.800 0.005 0.000 2.234 218 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 218 Q C 2.115 178.124 176.000 0.015 0.000 0.980 218 Q CA 1.850 57.656 55.803 0.004 0.000 0.869 218 Q CB -0.389 28.351 28.738 0.004 0.000 0.912 218 Q HN 0.719 nan 8.270 nan 0.000 0.436 219 Q N -1.022 118.789 119.800 0.019 0.000 2.079 219 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 219 Q C 1.952 177.976 176.000 0.039 0.000 0.974 219 Q CA 1.739 57.557 55.803 0.026 0.000 0.840 219 Q CB -0.314 28.438 28.738 0.023 0.000 0.898 219 Q HN 0.499 nan 8.270 nan 0.000 0.430 220 A N -0.174 122.672 122.820 0.042 0.000 1.929 220 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 220 A C 2.266 179.907 177.584 0.094 0.000 1.176 220 A CA 1.056 53.132 52.037 0.065 0.000 0.628 220 A CB -0.594 18.443 19.000 0.063 0.000 0.816 220 A HN 0.219 nan 8.150 nan 0.000 0.444 221 V N 0.888 120.835 119.914 0.056 0.000 2.392 221 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 221 V C 2.081 178.235 176.094 0.100 0.000 1.059 221 V CA 2.342 64.665 62.300 0.039 0.000 1.051 221 V CB -0.843 30.959 31.823 -0.036 0.000 0.658 221 V HN 0.491 nan 8.190 nan 0.000 0.455 222 D N 0.767 121.213 120.400 0.077 0.000 2.149 222 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 222 D C 2.062 178.426 176.300 0.108 0.000 0.990 222 D CA 1.648 55.696 54.000 0.081 0.000 0.839 222 D CB -0.385 40.447 40.800 0.052 0.000 0.948 222 D HN 0.521 nan 8.370 nan 0.000 0.460 223 G N -0.846 108.023 108.800 0.115 0.000 3.042 223 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.212 223 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.212 223 G C 0.001 174.981 174.900 0.133 0.000 1.166 223 G CA -0.627 44.532 45.100 0.098 0.000 0.767 223 G HN 0.145 nan 8.290 nan 0.000 0.546 224 W N 1.924 123.216 121.300 -0.014 0.000 2.223 224 W HA 0.454 5.114 4.660 -0.000 0.000 0.334 224 W C 0.061 176.565 176.519 -0.025 0.000 1.334 224 W CA 0.124 57.456 57.345 -0.022 0.000 1.246 224 W CB 0.937 30.380 29.460 -0.029 0.000 1.184 224 W HN -0.086 nan 8.180 nan 0.000 0.563 225 T N 5.284 119.412 114.554 -0.710 0.000 2.809 225 T HA 0.114 4.464 4.350 -0.000 0.000 0.284 225 T C 0.677 174.573 174.700 -1.340 0.000 0.992 225 T CA -0.517 61.154 62.100 -0.715 0.000 0.957 225 T CB 1.337 69.977 68.868 -0.381 0.000 0.942 225 T HN 0.750 nan 8.240 nan 0.000 0.439 226 E N 3.998 123.492 120.200 -1.177 0.000 2.072 226 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 226 E C 1.832 178.142 176.600 -0.483 0.000 0.985 226 E CA 1.150 56.979 56.400 -0.952 0.000 0.801 226 E CB -0.020 29.531 29.700 -0.248 0.000 0.750 226 E HN 0.762 nan 8.360 nan 0.000 0.452 227 K N 0.521 120.734 120.400 -0.311 0.000 2.148 227 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 227 K C 1.055 177.554 176.600 -0.168 0.000 1.050 227 K CA 2.045 58.229 56.287 -0.172 0.000 0.932 227 K CB -0.122 32.301 32.500 -0.128 0.000 0.717 227 K HN 0.339 nan 8.250 nan 0.000 0.462 228 N N -1.465 117.086 118.700 -0.249 0.000 2.365 228 N HA 0.129 4.869 4.740 -0.000 0.000 0.257 228 N C -0.789 174.576 175.510 -0.241 0.000 1.287 228 N CA -0.070 52.864 53.050 -0.193 0.000 0.882 228 N CB 0.699 39.095 38.487 -0.152 0.000 1.250 228 N HN 0.052 nan 8.380 nan 0.000 0.507 229 A N 1.904 124.527 122.820 -0.328 0.000 2.322 229 A HA 0.536 4.856 4.320 -0.000 0.000 0.269 229 A C -2.186 175.248 177.584 -0.249 0.000 1.094 229 A CA -1.135 50.758 52.037 -0.240 0.000 0.807 229 A CB 0.216 19.137 19.000 -0.131 0.000 1.047 229 A HN 0.199 nan 8.150 nan 0.000 0.487 230 P HA 0.157 nan 4.420 nan 0.000 0.276 230 P C -1.213 175.874 177.300 -0.355 0.000 1.244 230 P CA -0.250 62.688 63.100 -0.269 0.000 0.801 230 P CB 0.514 32.045 31.700 -0.282 0.000 1.006 231 W N 0.728 121.917 121.300 -0.186 0.000 2.365 231 W HA 0.364 5.024 4.660 -0.000 0.000 0.316 231 W C 0.032 176.408 176.519 -0.238 0.000 1.164 231 W CA 0.030 57.331 57.345 -0.073 0.000 1.204 231 W CB 0.515 30.073 29.460 0.163 0.000 1.213 231 W HN 0.308 nan 8.180 nan 0.000 0.539 232 Y N 1.300 121.596 120.300 -0.007 0.000 2.453 232 Y HA 0.617 5.167 4.550 -0.000 0.000 0.326 232 Y C 0.067 175.891 175.900 -0.127 0.000 1.186 232 Y CA -1.008 56.930 58.100 -0.270 0.000 1.200 232 Y CB 1.228 39.045 38.460 -1.072 0.000 1.247 232 Y HN -0.034 nan 8.280 nan 0.000 0.482 233 V N 1.637 121.689 119.914 0.229 0.000 2.686 233 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 233 V C -0.784 175.548 176.094 0.396 0.000 1.065 233 V CA -1.106 61.350 62.300 0.261 0.000 0.894 233 V CB 1.543 33.407 31.823 0.069 0.000 1.004 233 V HN 0.840 nan 8.190 nan 0.000 0.424 234 A N 4.379 127.475 122.820 0.460 0.000 2.287 234 A HA 0.877 5.197 4.320 -0.000 0.000 0.317 234 A C -0.783 177.023 177.584 0.370 0.000 1.220 234 A CA -0.531 51.765 52.037 0.432 0.000 0.835 234 A CB 1.341 20.604 19.000 0.438 0.000 1.180 234 A HN 0.715 nan 8.150 nan 0.000 0.500 235 V N 2.256 122.414 119.914 0.407 0.000 2.513 235 V HA 0.497 4.616 4.120 -0.000 0.000 0.299 235 V C 0.327 176.665 176.094 0.406 0.000 1.035 235 V CA -0.452 62.014 62.300 0.277 0.000 0.889 235 V CB 1.832 33.692 31.823 0.061 0.000 0.988 235 V HN 0.904 nan 8.190 nan 0.000 0.440 236 S N 2.328 118.204 115.700 0.293 0.000 2.578 236 S HA 0.932 5.402 4.470 -0.000 0.000 0.283 236 S C 0.544 175.352 174.600 0.348 0.000 1.195 236 S CA 0.276 58.650 58.200 0.290 0.000 1.050 236 S CB 1.761 65.090 63.200 0.215 0.000 1.012 236 S HN 1.284 nan 8.310 nan 0.000 0.511 237 G N 0.425 109.379 108.800 0.258 0.000 2.609 237 G HA2 0.606 4.566 3.960 -0.000 0.000 0.082 237 G HA3 0.606 4.566 3.960 -0.000 0.000 0.082 237 G C -0.419 174.475 174.900 -0.009 0.000 1.075 237 G CA 0.119 45.371 45.100 0.253 0.000 1.172 237 G HN 1.228 nan 8.290 nan 0.000 0.532 238 G N -2.107 106.717 108.800 0.041 0.000 2.340 238 G HA2 0.611 4.571 3.960 -0.000 0.000 0.299 238 G HA3 0.611 4.571 3.960 -0.000 0.000 0.299 238 G C -2.150 172.739 174.900 -0.019 0.000 1.291 238 G CA 0.403 45.406 45.100 -0.162 0.000 0.841 238 G HN 1.463 nan 8.290 nan 0.000 0.500 239 V N 1.091 120.945 119.914 -0.100 0.000 2.577 239 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 239 V C -0.408 175.657 176.094 -0.049 0.000 1.042 239 V CA -1.043 61.234 62.300 -0.037 0.000 0.872 239 V CB 1.509 33.341 31.823 0.015 0.000 0.998 239 V HN 0.753 nan 8.190 nan 0.000 0.423 240 H N 3.135 122.213 119.070 0.014 0.000 3.034 240 H HA 0.128 4.684 4.556 -0.000 0.000 0.324 240 H C 1.452 176.801 175.328 0.036 0.000 1.015 240 H CA 1.855 57.934 56.048 0.053 0.000 1.429 240 H CB 0.789 30.583 29.762 0.053 0.000 1.429 240 H HN 1.124 nan 8.280 nan 0.000 0.585 241 G N 2.504 111.404 108.800 0.165 0.000 2.189 241 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 241 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 241 G C 0.853 175.774 174.900 0.034 0.000 0.975 241 G CA 0.671 45.831 45.100 0.100 0.000 0.644 241 G HN 0.513 nan 8.290 nan 0.000 0.537 242 V N -0.882 119.030 119.914 -0.003 0.000 3.054 242 V HA 0.733 4.853 4.120 -0.000 0.000 0.227 242 V C 1.353 177.372 176.094 -0.125 0.000 1.252 242 V CA 1.536 63.805 62.300 -0.052 0.000 1.279 242 V CB 0.534 32.330 31.823 -0.045 0.000 1.118 242 V HN 1.920 nan 8.190 nan 0.000 0.504 243 G N 0.599 109.292 108.800 -0.179 0.000 2.353 243 G HA2 0.242 4.202 3.960 -0.000 0.000 0.308 243 G HA3 0.242 4.202 3.960 -0.000 0.000 0.308 243 G C -3.377 171.257 174.900 -0.444 0.000 1.418 243 G CA -0.507 44.409 45.100 -0.306 0.000 0.966 243 G HN 0.080 nan 8.290 nan 0.000 0.638 244 P HA 0.503 nan 4.420 nan 0.000 0.270 244 P C -0.017 176.524 177.300 -1.265 0.000 1.223 244 P CA 0.773 63.269 63.100 -1.006 0.000 0.785 244 P CB 1.626 32.486 31.700 -1.400 0.000 0.923 245 A N 1.202 123.354 122.820 -1.113 0.000 2.540 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.291 245 A C -1.601 175.687 177.584 -0.493 0.000 1.083 245 A CA -0.585 50.951 52.037 -0.836 0.000 0.650 245 A CB 1.096 19.687 19.000 -0.682 0.000 1.292 245 A HN 0.507 nan 8.150 nan 0.000 0.435 246 Q N 0.089 119.749 119.800 -0.234 0.000 2.330 246 Q HA 0.587 4.927 4.340 -0.000 0.000 0.269 246 Q C -1.824 174.231 176.000 0.091 0.000 1.022 246 Q CA -0.288 55.568 55.803 0.089 0.000 0.796 246 Q CB 1.873 30.940 28.738 0.549 0.000 1.271 246 Q HN 0.537 nan 8.270 nan 0.000 0.450 247 F N 2.324 122.570 119.950 0.493 0.000 2.405 247 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 247 F C -0.166 175.927 175.800 0.489 0.000 1.121 247 F CA -0.799 57.539 58.000 0.564 0.000 1.112 247 F CB 0.575 40.015 39.000 0.733 0.000 1.126 247 F HN 0.305 nan 8.300 nan 0.000 0.481 248 L N 5.301 126.772 121.223 0.414 0.000 2.295 248 L HA 0.536 4.876 4.340 -0.000 0.000 0.285 248 L C -1.357 175.575 176.870 0.103 0.000 1.035 248 L CA -0.593 54.365 54.840 0.197 0.000 0.806 248 L CB 0.402 42.416 42.059 -0.075 0.000 1.214 248 L HN 0.490 nan 8.230 nan 0.000 0.426 249 Y N 3.757 124.266 120.300 0.348 0.000 2.633 249 Y HA 0.795 5.345 4.550 -0.000 0.000 0.339 249 Y C -0.271 175.825 175.900 0.327 0.000 1.045 249 Y CA -0.954 57.378 58.100 0.386 0.000 1.098 249 Y CB 1.825 40.538 38.460 0.421 0.000 1.296 249 Y HN 0.591 nan 8.280 nan 0.000 0.494 250 R N -0.134 120.645 120.500 0.465 0.000 2.663 250 R HA 0.385 4.725 4.340 -0.000 0.000 0.267 250 R C -1.884 174.471 176.300 0.092 0.000 1.038 250 R CA -1.078 55.117 56.100 0.159 0.000 0.886 250 R CB 1.199 31.343 30.300 -0.259 0.000 1.249 250 R HN 0.669 nan 8.270 nan 0.000 0.463 251 Q N 1.919 121.594 119.800 -0.209 0.000 2.308 251 Q HA -0.084 4.256 4.340 -0.000 0.000 0.313 251 Q C -0.358 175.445 176.000 -0.328 0.000 1.075 251 Q CA 0.410 55.843 55.803 -0.616 0.000 0.995 251 Q CB 0.249 28.614 28.738 -0.622 0.000 1.107 251 Q HN 0.447 nan 8.270 nan 0.000 0.380 252 N N 1.322 119.850 118.700 -0.287 0.000 2.294 252 N HA -0.076 4.664 4.740 -0.000 0.000 0.263 252 N C 0.861 176.302 175.510 -0.114 0.000 1.281 252 N CA 1.661 54.644 53.050 -0.112 0.000 0.846 252 N CB 0.165 38.627 38.487 -0.043 0.000 1.061 252 N HN 0.778 nan 8.380 nan 0.000 0.478 253 G N 2.285 111.046 108.800 -0.065 0.000 2.175 253 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.265 253 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.265 253 G C 0.876 175.729 174.900 -0.078 0.000 0.979 253 G CA 0.700 45.765 45.100 -0.059 0.000 0.663 253 G HN 1.749 nan 8.290 nan 0.000 0.533 254 G N -1.041 107.688 108.800 -0.119 0.000 2.147 254 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 254 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 254 G C 0.059 174.865 174.900 -0.157 0.000 1.005 254 G CA 0.770 45.786 45.100 -0.140 0.000 0.713 254 G HN 1.420 nan 8.290 nan 0.000 0.515 255 N N 0.686 119.272 118.700 -0.190 0.000 2.415 255 N HA 0.533 5.273 4.740 -0.000 0.000 0.246 255 N C 1.506 176.849 175.510 -0.278 0.000 1.078 255 N CA 0.509 53.440 53.050 -0.198 0.000 0.942 255 N CB 0.879 39.257 38.487 -0.182 0.000 1.140 255 N HN 0.469 nan 8.380 nan 0.000 0.501 256 A N 2.702 125.387 122.820 -0.225 0.000 2.131 256 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 256 A C 1.809 179.182 177.584 -0.351 0.000 1.158 256 A CA 1.904 53.807 52.037 -0.222 0.000 0.665 256 A CB -0.346 18.578 19.000 -0.126 0.000 0.795 256 A HN 0.718 nan 8.150 nan 0.000 0.460 257 S N -1.106 114.391 115.700 -0.338 0.000 2.556 257 S HA 0.160 4.629 4.470 -0.000 0.000 0.216 257 S C 0.411 174.670 174.600 -0.567 0.000 0.970 257 S CA 0.286 58.274 58.200 -0.354 0.000 0.912 257 S CB -0.021 63.115 63.200 -0.108 0.000 0.790 257 S HN 0.419 nan 8.310 nan 0.000 0.504 258 E N 1.067 120.884 120.200 -0.638 0.000 2.052 258 E HA 0.384 4.734 4.350 -0.000 0.000 0.283 258 E C -0.623 175.449 176.600 -0.880 0.000 1.071 258 E CA -0.540 55.521 56.400 -0.564 0.000 0.851 258 E CB -0.106 29.351 29.700 -0.404 0.000 1.066 258 E HN 0.351 nan 8.360 nan 0.000 0.396 259 F N 2.556 122.343 119.950 -0.272 0.000 2.704 259 F HA 0.183 4.710 4.527 -0.000 0.000 0.304 259 F C 1.844 177.595 175.800 -0.082 0.000 1.094 259 F CA -0.207 57.684 58.000 -0.183 0.000 1.275 259 F CB 0.276 39.285 39.000 0.015 0.000 1.073 259 F HN 0.436 nan 8.300 nan 0.000 0.586 260 Q N -0.079 119.638 119.800 -0.138 0.000 2.089 260 Q HA 0.025 4.365 4.340 -0.000 0.000 0.195 260 Q C -0.482 175.244 176.000 -0.455 0.000 0.963 260 Q CA 1.415 57.038 55.803 -0.300 0.000 0.834 260 Q CB -0.029 28.370 28.738 -0.566 0.000 0.906 260 Q HN 0.318 nan 8.270 nan 0.000 0.452 261 Y N -0.845 119.359 120.300 -0.160 0.000 2.331 261 Y HA 0.390 4.940 4.550 -0.000 0.000 0.338 261 Y C -1.171 174.529 175.900 -0.333 0.000 0.992 261 Y CA -1.014 57.031 58.100 -0.092 0.000 1.121 261 Y CB 0.814 39.241 38.460 -0.054 0.000 1.184 261 Y HN 0.022 nan 8.280 nan 0.000 0.469 262 W N 3.277 124.717 121.300 0.234 0.000 2.336 262 W HA 0.385 5.045 4.660 -0.000 0.000 0.315 262 W C -0.242 176.490 176.519 0.356 0.000 1.016 262 W CA -1.166 56.321 57.345 0.237 0.000 1.318 262 W CB 0.792 30.363 29.460 0.185 0.000 1.247 262 W HN 0.491 nan 8.180 nan 0.000 0.414 263 E N 2.459 122.889 120.200 0.382 0.000 2.360 263 E HA 0.002 4.352 4.350 -0.000 0.000 0.269 263 E C -0.940 175.902 176.600 0.403 0.000 1.022 263 E CA -0.582 56.017 56.400 0.333 0.000 0.887 263 E CB 0.901 30.699 29.700 0.164 0.000 0.990 263 E HN 0.423 nan 8.360 nan 0.000 0.426 264 Y N 4.658 125.064 120.300 0.176 0.000 2.393 264 Y HA 0.150 4.700 4.550 -0.000 0.000 0.338 264 Y C 0.088 175.956 175.900 -0.054 0.000 1.029 264 Y CA -0.673 57.343 58.100 -0.139 0.000 1.239 264 Y CB 0.680 39.083 38.460 -0.096 0.000 1.170 264 Y HN 0.662 nan 8.280 nan 0.000 0.515 265 L N 5.868 126.826 121.223 -0.442 0.000 2.607 265 L HA 0.347 4.687 4.340 -0.000 0.000 0.228 265 L C 1.077 177.648 176.870 -0.500 0.000 1.123 265 L CA 0.423 55.074 54.840 -0.315 0.000 0.890 265 L CB -0.653 41.380 42.059 -0.044 0.000 1.103 265 L HN 1.010 nan 8.230 nan 0.000 0.468 266 G N 0.736 108.782 108.800 -1.256 0.000 2.645 266 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.645 266 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.645 266 G C -0.522 174.338 174.900 -0.066 0.000 1.304 266 G CA -0.835 43.811 45.100 -0.757 0.000 0.885 266 G HN 0.217 nan 8.290 nan 0.000 0.526 267 E N 1.331 121.637 120.200 0.177 0.000 1.802 267 E HA 0.115 4.465 4.350 -0.000 0.000 0.265 267 E C 1.345 178.100 176.600 0.257 0.000 1.168 267 E CA -0.259 56.279 56.400 0.230 0.000 1.033 267 E CB 0.040 29.819 29.700 0.131 0.000 1.095 267 E HN 0.569 nan 8.360 nan 0.000 0.436 268 W N 3.865 125.222 121.300 0.095 0.000 2.468 268 W HA -0.099 4.561 4.660 -0.000 0.000 0.262 268 W C -0.471 176.202 176.519 0.257 0.000 1.241 268 W CA 0.168 57.597 57.345 0.141 0.000 1.232 268 W CB -0.208 29.345 29.460 0.154 0.000 1.124 268 W HN 0.417 nan 8.180 nan 0.000 0.597 269 W N 3.603 124.773 121.300 -0.217 0.000 3.326 269 W HA 0.374 5.034 4.660 0.000 0.000 0.333 269 W C -1.418 174.967 176.519 -0.223 0.000 1.108 269 W CA -1.714 55.421 57.345 -0.350 0.000 1.245 269 W CB 0.017 29.126 29.460 -0.586 0.000 1.331 269 W HN 0.120 nan 8.180 nan 0.000 0.464 270 Q N 3.665 123.314 119.800 -0.252 0.000 2.416 270 Q HA 0.760 5.100 4.340 -0.000 0.000 0.281 270 Q C -1.226 174.468 176.000 -0.509 0.000 1.067 270 Q CA -0.940 54.550 55.803 -0.521 0.000 0.809 270 Q CB 3.392 31.943 28.738 -0.312 0.000 1.418 270 Q HN 0.280 nan 8.270 nan 0.000 0.411 271 E N 0.514 120.333 120.200 -0.635 0.000 2.367 271 E HA 0.567 4.917 4.350 -0.000 0.000 0.273 271 E C -1.094 175.317 176.600 -0.314 0.000 0.903 271 E CA -0.804 55.333 56.400 -0.439 0.000 0.764 271 E CB 2.248 31.565 29.700 -0.639 0.000 1.252 271 E HN 0.799 nan 8.360 nan 0.000 0.446 272 A N 1.433 124.158 122.820 -0.159 0.000 2.483 272 A HA 0.237 4.557 4.320 -0.000 0.000 0.238 272 A C 0.248 177.719 177.584 -0.187 0.000 1.070 272 A CA 0.040 51.991 52.037 -0.142 0.000 0.770 272 A CB -0.280 18.674 19.000 -0.077 0.000 1.008 272 A HN 0.494 nan 8.150 nan 0.000 0.497 273 T N 2.769 117.187 114.554 -0.226 0.000 2.867 273 T HA -0.007 4.343 4.350 -0.000 0.000 0.290 273 T C 1.091 175.530 174.700 -0.436 0.000 1.025 273 T CA 1.435 63.324 62.100 -0.352 0.000 1.146 273 T CB -0.306 68.405 68.868 -0.261 0.000 1.024 273 T HN 0.979 nan 8.240 nan 0.000 0.519 274 N N 1.330 119.618 118.700 -0.687 0.000 2.696 274 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 274 N C 0.180 175.522 175.510 -0.280 0.000 1.090 274 N CA 0.949 53.617 53.050 -0.637 0.000 0.716 274 N CB -1.007 36.957 38.487 -0.872 0.000 1.020 274 N HN 0.818 nan 8.380 nan 0.000 0.548 275 S N -1.922 113.700 115.700 -0.131 0.000 2.681 275 S HA 0.783 5.253 4.470 -0.000 0.000 0.270 275 S C 0.366 174.929 174.600 -0.063 0.000 1.209 275 S CA 0.013 58.200 58.200 -0.023 0.000 0.988 275 S CB 2.024 65.284 63.200 0.099 0.000 1.006 275 S HN 0.720 nan 8.310 nan 0.000 0.558 276 S N -0.434 115.179 115.700 -0.144 0.000 2.618 276 S HA 0.477 4.947 4.470 -0.000 0.000 0.277 276 S C -1.194 173.221 174.600 -0.308 0.000 1.138 276 S CA -1.014 56.907 58.200 -0.465 0.000 0.844 276 S CB 0.818 63.825 63.200 -0.323 0.000 1.127 276 S HN 0.963 nan 8.310 nan 0.000 0.474 277 W N 2.317 123.192 121.300 -0.708 0.000 2.303 277 W HA 0.452 5.111 4.660 -0.000 0.000 0.318 277 W C 0.435 176.849 176.519 -0.174 0.000 1.362 277 W CA 1.372 58.530 57.345 -0.312 0.000 1.234 277 W CB 0.052 29.268 29.460 -0.407 0.000 1.248 277 W HN 1.564 nan 8.180 nan 0.000 0.546 278 G N 4.793 113.153 108.800 -0.733 0.000 2.712 278 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.686 278 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.686 278 G C 0.306 175.037 174.900 -0.282 0.000 1.321 278 G CA -0.239 44.520 45.100 -0.570 0.000 0.813 278 G HN 0.574 nan 8.290 nan 0.000 0.599 279 D N 0.560 120.833 120.400 -0.212 0.000 2.178 279 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 279 D C 1.670 177.914 176.300 -0.094 0.000 0.980 279 D CA 1.804 55.725 54.000 -0.131 0.000 0.842 279 D CB 0.266 41.006 40.800 -0.100 0.000 0.948 279 D HN 0.732 nan 8.370 nan 0.000 0.472 280 E N -0.583 119.568 120.200 -0.082 0.000 2.887 280 E HA 0.310 4.660 4.350 -0.000 0.000 0.206 280 E C 0.372 176.933 176.600 -0.065 0.000 0.983 280 E CA -0.288 56.075 56.400 -0.062 0.000 1.141 280 E CB 1.057 30.732 29.700 -0.042 0.000 1.061 280 E HN 0.040 nan 8.360 nan 0.000 0.468 281 G N 1.760 110.509 108.800 -0.085 0.000 2.396 281 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.288 281 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.288 281 G C 0.681 175.559 174.900 -0.037 0.000 0.926 281 G CA 1.130 46.182 45.100 -0.080 0.000 1.211 281 G HN 0.296 nan 8.290 nan 0.000 0.496 282 T N -1.389 113.143 114.554 -0.036 0.000 3.033 282 T HA 0.073 4.423 4.350 -0.000 0.000 0.248 282 T C 1.729 176.295 174.700 -0.224 0.000 1.040 282 T CA 1.413 63.402 62.100 -0.185 0.000 1.133 282 T CB -0.003 68.665 68.868 -0.332 0.000 0.895 282 T HN 0.567 nan 8.240 nan 0.000 0.465 283 W N 1.181 122.607 121.300 0.210 0.000 3.177 283 W HA 0.650 5.310 4.660 0.000 0.000 0.309 283 W C 1.151 177.831 176.519 0.267 0.000 1.224 283 W CA -0.330 57.227 57.345 0.353 0.000 1.718 283 W CB 0.570 30.166 29.460 0.226 0.000 1.078 283 W HN 0.117 nan 8.180 nan 0.000 0.618 284 A N -0.052 122.884 122.820 0.194 0.000 2.897 284 A HA 0.625 4.945 4.320 -0.000 0.000 0.230 284 A C 1.005 178.289 177.584 -0.500 0.000 0.896 284 A CA 0.145 51.991 52.037 -0.317 0.000 1.114 284 A CB -0.759 17.980 19.000 -0.436 0.000 1.230 284 A HN 0.339 nan 8.150 nan 0.000 0.481 285 G N 1.180 109.926 108.800 -0.089 0.000 2.627 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.312 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.312 285 G C 0.067 174.806 174.900 -0.269 0.000 1.299 285 G CA 0.724 45.787 45.100 -0.061 0.000 0.989 285 G HN 0.928 nan 8.290 nan 0.000 0.547 286 R N -1.538 118.789 120.500 -0.289 0.000 2.795 286 R HA 0.406 4.746 4.340 -0.000 0.000 0.275 286 R C 0.630 176.768 176.300 -0.270 0.000 0.981 286 R CA -0.625 55.268 56.100 -0.345 0.000 0.917 286 R CB 1.307 31.493 30.300 -0.190 0.000 1.202 286 R HN 0.599 nan 8.270 nan 0.000 0.469 287 W N 1.332 122.589 121.300 -0.073 0.000 2.465 287 W HA -0.040 4.620 4.660 -0.000 0.000 0.268 287 W C 1.376 177.850 176.519 -0.075 0.000 1.242 287 W CA 0.800 58.147 57.345 0.003 0.000 1.248 287 W CB 0.006 29.460 29.460 -0.009 0.000 1.118 287 W HN 1.005 nan 8.180 nan 0.000 0.587 288 G N 0.514 109.280 108.800 -0.057 0.000 2.601 288 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.252 288 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.252 288 G C -0.087 174.471 174.900 -0.571 0.000 1.294 288 G CA 0.385 45.318 45.100 -0.278 0.000 0.912 288 G HN 0.208 nan 8.290 nan 0.000 0.574 289 F N 0.843 120.438 119.950 -0.590 0.000 2.714 289 F HA 0.388 4.915 4.527 -0.000 0.000 0.294 289 F C 1.186 176.580 175.800 -0.677 0.000 1.120 289 F CA 0.723 58.233 58.000 -0.817 0.000 1.398 289 F CB 0.486 38.444 39.000 -1.737 0.000 1.120 289 F HN 0.542 nan 8.300 nan 0.000 0.589 290 N N -1.073 117.408 118.700 -0.365 0.000 2.367 290 N HA 0.277 5.017 4.740 -0.000 0.000 0.278 290 N C -1.730 173.824 175.510 0.073 0.000 1.117 290 N CA -0.441 52.497 53.050 -0.187 0.000 0.867 290 N CB 1.125 39.555 38.487 -0.095 0.000 1.649 290 N HN -0.299 nan 8.380 nan 0.000 0.479 291 F N 1.366 121.239 119.950 -0.128 0.000 2.404 291 F HA 0.505 5.032 4.527 -0.000 0.000 0.339 291 F C 0.669 176.458 175.800 -0.018 0.000 1.105 291 F CA -0.490 57.439 58.000 -0.118 0.000 1.087 291 F CB 1.103 39.965 39.000 -0.231 0.000 1.143 291 F HN 0.411 nan 8.300 nan 0.000 0.491 292 E N -0.425 119.869 120.200 0.156 0.000 2.392 292 E HA 0.304 4.654 4.350 -0.000 0.000 0.269 292 E C -0.558 176.035 176.600 -0.012 0.000 0.924 292 E CA -0.847 55.613 56.400 0.101 0.000 0.784 292 E CB 1.955 31.745 29.700 0.149 0.000 1.292 292 E HN 0.620 nan 8.360 nan 0.000 0.447 293 T N -1.277 113.285 114.554 0.013 0.000 3.398 293 T HA -0.201 4.149 4.350 -0.000 0.000 0.408 293 T C 0.314 174.996 174.700 -0.030 0.000 0.769 293 T CA 0.252 62.352 62.100 -0.000 0.000 2.018 293 T CB -2.036 66.799 68.868 -0.054 0.000 1.703 293 T HN 0.670 nan 8.240 nan 0.000 0.639 294 G N 1.215 110.021 108.800 0.011 0.000 2.406 294 G HA2 0.502 4.462 3.960 -0.000 0.000 0.251 294 G HA3 0.502 4.462 3.960 -0.000 0.000 0.251 294 G C -0.167 174.601 174.900 -0.219 0.000 1.271 294 G CA -0.706 44.365 45.100 -0.049 0.000 0.859 294 G HN 0.656 nan 8.290 nan 0.000 0.540 295 N N 0.060 118.494 118.700 -0.444 0.000 2.296 295 N HA 0.488 5.228 4.740 -0.000 0.000 0.294 295 N C -0.769 174.268 175.510 -0.788 0.000 1.033 295 N CA -0.467 51.932 53.050 -1.085 0.000 0.839 295 N CB 2.429 40.516 38.487 -0.667 0.000 1.395 295 N HN 0.234 nan 8.380 nan 0.000 0.479 296 V N 2.920 122.312 119.914 -0.871 0.000 2.357 296 V HA 0.516 4.636 4.120 -0.000 0.000 0.284 296 V C -0.602 175.104 176.094 -0.646 0.000 1.018 296 V CA -0.698 61.162 62.300 -0.733 0.000 0.841 296 V CB 0.789 31.907 31.823 -1.175 0.000 0.991 296 V HN 0.396 nan 8.190 nan 0.000 0.437 297 L N 4.842 125.626 121.223 -0.733 0.000 2.333 297 L HA 0.678 5.018 4.340 -0.000 0.000 0.269 297 L C -0.740 175.620 176.870 -0.850 0.000 1.010 297 L CA -0.396 54.074 54.840 -0.616 0.000 0.818 297 L CB 1.485 43.140 42.059 -0.672 0.000 1.306 297 L HN 0.430 nan 8.230 nan 0.000 0.430 298 F N 2.646 122.458 119.950 -0.231 0.000 2.532 298 F HA 0.529 5.056 4.527 -0.000 0.000 0.365 298 F C -0.611 174.955 175.800 -0.389 0.000 1.112 298 F CA -0.524 57.297 58.000 -0.299 0.000 1.082 298 F CB 1.023 39.807 39.000 -0.360 0.000 1.319 298 F HN 0.066 nan 8.300 nan 0.000 0.457 299 L N 2.147 123.320 121.223 -0.083 0.000 2.344 299 L HA 0.759 5.099 4.340 -0.000 0.000 0.272 299 L C 0.537 177.384 176.870 -0.038 0.000 1.035 299 L CA -0.474 54.286 54.840 -0.134 0.000 0.807 299 L CB 1.877 43.686 42.059 -0.416 0.000 1.237 299 L HN 0.656 nan 8.230 nan 0.000 0.442 300 T N -2.915 111.611 114.554 -0.046 0.000 2.773 300 T HA 0.429 4.778 4.350 -0.000 0.000 0.278 300 T C 0.544 175.227 174.700 -0.029 0.000 1.011 300 T CA -0.600 61.494 62.100 -0.009 0.000 1.014 300 T CB 0.919 69.792 68.868 0.008 0.000 1.293 300 T HN 0.522 nan 8.240 nan 0.000 0.554 301 E N -0.080 120.114 120.200 -0.009 0.000 2.511 301 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 301 E C 0.853 177.443 176.600 -0.017 0.000 1.066 301 E CA 0.543 56.934 56.400 -0.016 0.000 0.871 301 E CB 0.145 29.844 29.700 -0.001 0.000 0.863 301 E HN 0.575 nan 8.360 nan 0.000 0.520 302 E N -1.083 119.113 120.200 -0.007 0.000 2.391 302 E HA 0.193 4.543 4.350 -0.000 0.000 0.206 302 E C 0.740 177.345 176.600 0.008 0.000 0.851 302 E CA 0.570 56.971 56.400 0.001 0.000 1.059 302 E CB 1.246 30.953 29.700 0.012 0.000 1.065 302 E HN 0.184 nan 8.360 nan 0.000 0.512 303 G N -0.936 107.877 108.800 0.021 0.000 2.825 303 G HA2 0.029 3.989 3.960 -0.000 0.000 0.100 303 G HA3 0.029 3.989 3.960 -0.000 0.000 0.100 303 G C -1.455 173.516 174.900 0.119 0.000 1.195 303 G CA -0.592 44.547 45.100 0.064 0.000 1.317 303 G HN 0.105 nan 8.290 nan 0.000 0.632 304 H N 1.319 120.444 119.070 0.091 0.000 2.547 304 H HA 0.627 5.183 4.556 -0.000 0.000 0.342 304 H C -1.923 173.500 175.328 0.158 0.000 1.048 304 H CA -0.190 55.946 56.048 0.147 0.000 1.204 304 H CB 2.162 32.072 29.762 0.246 0.000 1.493 304 H HN 0.423 nan 8.280 nan 0.000 0.511 305 D N 6.955 127.256 120.400 -0.166 0.000 2.616 305 D HA 0.131 4.771 4.640 -0.000 0.000 0.238 305 D C -2.182 174.041 176.300 -0.128 0.000 1.354 305 D CA -1.580 52.407 54.000 -0.022 0.000 0.970 305 D CB 2.750 43.563 40.800 0.022 0.000 1.369 305 D HN 0.294 nan 8.370 nan 0.000 0.585 306 P HA -0.086 nan 4.420 nan 0.000 0.234 306 P C 0.917 177.861 177.300 -0.593 0.000 1.167 306 P CA 0.739 63.593 63.100 -0.409 0.000 0.763 306 P CB 0.766 32.388 31.700 -0.130 0.000 0.835 307 Q N 0.495 120.134 119.800 -0.268 0.000 2.387 307 Q HA -0.003 4.337 4.340 -0.000 0.000 0.212 307 Q C 1.631 177.539 176.000 -0.152 0.000 0.925 307 Q CA 1.505 57.154 55.803 -0.258 0.000 0.901 307 Q CB 0.162 28.951 28.738 0.084 0.000 1.020 307 Q HN 0.197 nan 8.270 nan 0.000 0.545 308 T N -3.160 111.357 114.554 -0.062 0.000 3.010 308 T HA 0.343 4.693 4.350 -0.000 0.000 0.257 308 T C 0.776 175.479 174.700 0.006 0.000 1.020 308 T CA 0.113 62.200 62.100 -0.020 0.000 0.938 308 T CB 0.605 69.479 68.868 0.010 0.000 1.049 308 T HN 0.223 nan 8.240 nan 0.000 0.522 309 G N 1.245 110.052 108.800 0.012 0.000 2.527 309 G HA2 0.407 4.367 3.960 -0.000 0.000 0.248 309 G HA3 0.407 4.367 3.960 -0.000 0.000 0.248 309 G C -0.479 174.506 174.900 0.141 0.000 1.231 309 G CA -0.557 44.579 45.100 0.061 0.000 0.838 309 G HN 0.560 nan 8.290 nan 0.000 0.570 310 E N 0.372 120.660 120.200 0.146 0.000 2.366 310 E HA 0.257 4.607 4.350 -0.000 0.000 0.266 310 E C -0.216 176.471 176.600 0.145 0.000 1.051 310 E CA -0.710 55.781 56.400 0.151 0.000 0.884 310 E CB 0.982 30.791 29.700 0.183 0.000 1.006 310 E HN 0.144 nan 8.360 nan 0.000 0.417 311 V N 5.048 124.963 119.914 0.002 0.000 2.470 311 V HA 0.166 4.286 4.120 -0.000 0.000 0.276 311 V C -0.335 175.610 176.094 -0.247 0.000 1.040 311 V CA 0.369 62.548 62.300 -0.201 0.000 1.008 311 V CB -0.489 31.276 31.823 -0.097 0.000 0.990 311 V HN 0.504 nan 8.190 nan 0.000 0.477 312 F N 3.236 122.929 119.950 -0.429 0.000 2.563 312 F HA 0.750 5.277 4.527 -0.000 0.000 0.316 312 F C -0.163 175.344 175.800 -0.490 0.000 1.076 312 F CA -0.762 57.043 58.000 -0.325 0.000 0.921 312 F CB 2.393 41.220 39.000 -0.289 0.000 1.209 312 F HN 0.166 nan 8.300 nan 0.000 0.462 313 V N 1.228 120.997 119.914 -0.241 0.000 2.686 313 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 313 V C -0.603 175.427 176.094 -0.106 0.000 1.065 313 V CA -0.823 61.275 62.300 -0.338 0.000 0.894 313 V CB 2.255 33.714 31.823 -0.607 0.000 1.004 313 V HN 0.823 nan 8.190 nan 0.000 0.424 314 T N 3.295 117.775 114.554 -0.123 0.000 2.888 314 T HA 0.946 5.296 4.350 -0.000 0.000 0.284 314 T C -0.743 173.896 174.700 -0.101 0.000 1.017 314 T CA -0.667 61.417 62.100 -0.027 0.000 1.022 314 T CB 1.830 70.702 68.868 0.007 0.000 1.013 314 T HN 1.045 nan 8.240 nan 0.000 0.465 315 L N -1.192 119.963 121.223 -0.114 0.000 2.869 315 L HA 0.910 5.250 4.340 -0.000 0.000 0.265 315 L C -0.527 176.206 176.870 -0.229 0.000 1.011 315 L CA -1.324 53.395 54.840 -0.202 0.000 0.913 315 L CB 1.317 43.172 42.059 -0.338 0.000 1.490 315 L HN 0.934 nan 8.230 nan 0.000 0.410 316 G N 0.019 108.642 108.800 -0.295 0.000 2.388 316 G HA2 0.659 4.619 3.960 -0.000 0.000 0.330 316 G HA3 0.659 4.619 3.960 -0.000 0.000 0.330 316 G C -0.586 174.326 174.900 0.020 0.000 1.142 316 G CA -0.071 44.835 45.100 -0.323 0.000 0.908 316 G HN 0.922 nan 8.290 nan 0.000 0.473 317 T N -0.786 113.898 114.554 0.217 0.000 2.863 317 T HA 0.605 4.955 4.350 -0.000 0.000 0.285 317 T C -0.538 174.251 174.700 0.149 0.000 1.009 317 T CA -0.809 61.405 62.100 0.190 0.000 0.989 317 T CB 2.440 71.394 68.868 0.144 0.000 1.004 317 T HN 0.425 nan 8.240 nan 0.000 0.455 318 E N 1.202 121.422 120.200 0.034 0.000 2.174 318 E HA 0.562 4.912 4.350 -0.000 0.000 0.282 318 E C 0.135 176.655 176.600 -0.134 0.000 0.992 318 E CA -0.912 55.405 56.400 -0.140 0.000 0.803 318 E CB 1.552 31.191 29.700 -0.103 0.000 1.090 318 E HN 0.878 nan 8.360 nan 0.000 0.396 319 G N 0.974 109.721 108.800 -0.089 0.000 2.788 319 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 319 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 319 G C -1.046 173.943 174.900 0.149 0.000 1.305 319 G CA -0.475 44.681 45.100 0.093 0.000 1.005 319 G HN 0.369 nan 8.290 nan 0.000 0.496 320 S N -1.894 113.965 115.700 0.265 0.000 2.543 320 S HA 0.677 5.147 4.470 -0.000 0.000 0.274 320 S C 0.043 174.761 174.600 0.198 0.000 1.149 320 S CA 0.134 58.450 58.200 0.192 0.000 0.866 320 S CB 1.126 64.417 63.200 0.151 0.000 1.111 320 S HN 1.419 nan 8.310 nan 0.000 0.457 321 G N 1.607 110.483 108.800 0.127 0.000 2.547 321 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 321 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 321 G C -0.994 173.970 174.900 0.107 0.000 1.211 321 G CA -0.720 44.444 45.100 0.107 0.000 0.950 321 G HN 0.757 nan 8.290 nan 0.000 0.504 322 L N 1.502 122.781 121.223 0.093 0.000 2.325 322 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 322 L C -1.390 175.512 176.870 0.054 0.000 1.023 322 L CA -1.519 53.372 54.840 0.084 0.000 0.811 322 L CB 1.747 43.861 42.059 0.092 0.000 1.249 322 L HN 0.464 nan 8.230 nan 0.000 0.431 323 P HA 0.302 nan 4.420 nan 0.000 0.276 323 P C -0.605 176.716 177.300 0.035 0.000 1.244 323 P CA -0.591 62.535 63.100 0.043 0.000 0.801 323 P CB 1.151 32.867 31.700 0.027 0.000 1.006 324 I N 1.197 121.785 120.570 0.031 0.000 2.692 324 I HA 0.009 4.179 4.170 -0.000 0.000 0.284 324 I C 0.415 176.503 176.117 -0.049 0.000 1.159 324 I CA -0.325 60.971 61.300 -0.007 0.000 1.423 324 I CB 0.626 38.610 38.000 -0.027 0.000 1.380 324 I HN 0.079 nan 8.210 nan 0.000 0.580 325 V N 8.526 128.393 119.914 -0.080 0.000 2.293 325 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 325 V C -2.106 173.868 176.094 -0.200 0.000 1.021 325 V CA -1.761 60.477 62.300 -0.102 0.000 0.815 325 V CB 1.257 33.040 31.823 -0.066 0.000 1.025 325 V HN 0.629 nan 8.190 nan 0.000 0.448 326 P HA -0.037 nan 4.420 nan 0.000 0.259 326 P C 0.393 177.437 177.300 -0.426 0.000 1.163 326 P CA 0.771 63.677 63.100 -0.324 0.000 0.760 326 P CB 0.084 31.661 31.700 -0.206 0.000 0.762 327 Q N -1.620 117.709 119.800 -0.785 0.000 2.466 327 Q HA -0.142 4.198 4.340 -0.000 0.000 0.248 327 Q C -0.798 174.700 176.000 -0.837 0.000 0.791 327 Q CA 0.336 55.470 55.803 -1.115 0.000 1.225 327 Q CB -1.795 26.646 28.738 -0.496 0.000 1.418 327 Q HN 0.261 nan 8.270 nan 0.000 0.662 328 V N 0.810 120.377 119.914 -0.577 0.000 2.525 328 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 328 V C -0.088 176.034 176.094 0.048 0.000 1.034 328 V CA -0.468 61.739 62.300 -0.155 0.000 0.863 328 V CB 2.151 33.926 31.823 -0.079 0.000 0.999 328 V HN 0.063 nan 8.190 nan 0.000 0.423 329 S N 2.241 118.073 115.700 0.221 0.000 2.461 329 S HA 0.170 4.640 4.470 -0.000 0.000 0.322 329 S C 1.194 175.814 174.600 0.033 0.000 1.063 329 S CA -0.038 58.286 58.200 0.205 0.000 1.120 329 S CB 1.297 64.547 63.200 0.083 0.000 0.968 329 S HN 1.006 nan 8.310 nan 0.000 0.467 330 S N 2.958 118.695 115.700 0.062 0.000 2.453 330 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 330 S C 0.587 175.197 174.600 0.016 0.000 1.005 330 S CA 0.465 58.713 58.200 0.080 0.000 0.949 330 S CB -0.149 63.107 63.200 0.093 0.000 0.774 330 S HN 0.550 nan 8.310 nan 0.000 0.510 331 I N 2.096 122.582 120.570 -0.139 0.000 2.498 331 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 331 I C -1.265 174.546 176.117 -0.511 0.000 1.032 331 I CA -0.652 60.520 61.300 -0.213 0.000 1.073 331 I CB 1.409 39.369 38.000 -0.066 0.000 1.251 331 I HN 0.162 nan 8.210 nan 0.000 0.426 332 H N 3.425 122.186 119.070 -0.515 0.000 2.736 332 H HA 0.361 4.917 4.556 -0.000 0.000 0.271 332 H C -0.997 174.234 175.328 -0.162 0.000 1.184 332 H CA -0.537 55.097 56.048 -0.690 0.000 1.378 332 H CB 0.713 29.478 29.762 -1.661 0.000 1.428 332 H HN 0.322 nan 8.280 nan 0.000 0.500 333 D N 2.533 123.041 120.400 0.181 0.000 2.264 333 D HA 0.092 4.732 4.640 -0.000 0.000 0.250 333 D C 0.061 176.544 176.300 0.305 0.000 1.113 333 D CA -0.535 53.633 54.000 0.280 0.000 0.871 333 D CB 1.290 42.142 40.800 0.085 0.000 1.167 333 D HN 0.335 nan 8.370 nan 0.000 0.447 334 M N 4.324 124.108 119.600 0.307 0.000 2.495 334 M HA 0.267 4.747 4.480 -0.000 0.000 0.346 334 M C -1.481 174.800 176.300 -0.032 0.000 1.251 334 M CA -0.236 55.160 55.300 0.159 0.000 1.249 334 M CB -0.386 32.359 32.600 0.242 0.000 1.229 334 M HN 0.214 nan 8.290 nan 0.000 0.450 335 L N 3.653 124.749 121.223 -0.212 0.000 2.400 335 L HA 0.733 5.073 4.340 -0.000 0.000 0.264 335 L C -0.446 176.387 176.870 -0.061 0.000 1.061 335 L CA -0.823 53.801 54.840 -0.361 0.000 0.799 335 L CB 1.217 42.992 42.059 -0.472 0.000 1.240 335 L HN 0.701 nan 8.230 nan 0.000 0.461 336 W N -0.076 121.122 121.300 -0.170 0.000 3.167 336 W HA 0.837 5.497 4.660 -0.000 0.000 0.324 336 W C -1.815 174.652 176.519 -0.088 0.000 1.230 336 W CA -1.180 56.116 57.345 -0.081 0.000 1.184 336 W CB 1.571 31.029 29.460 -0.004 0.000 1.414 336 W HN 0.615 nan 8.180 nan 0.000 0.551 337 A N 1.295 124.244 122.820 0.215 0.000 2.549 337 A HA 0.897 5.217 4.320 -0.000 0.000 0.297 337 A C -1.681 175.901 177.584 -0.004 0.000 1.061 337 A CA -0.387 51.583 52.037 -0.112 0.000 0.690 337 A CB 1.325 20.188 19.000 -0.229 0.000 1.287 337 A HN 1.491 nan 8.150 nan 0.000 0.402 338 A N -0.003 122.666 122.820 -0.252 0.000 2.423 338 A HA 1.040 5.360 4.320 -0.000 0.000 0.304 338 A C 0.236 177.517 177.584 -0.505 0.000 1.104 338 A CA -0.020 51.629 52.037 -0.647 0.000 0.757 338 A CB 1.629 19.886 19.000 -1.239 0.000 1.313 338 A HN 2.662 nan 8.150 nan 0.000 0.423 339 G N -0.478 108.048 108.800 -0.457 0.000 2.392 339 G HA2 0.497 4.457 3.960 -0.000 0.000 0.260 339 G HA3 0.497 4.457 3.960 -0.000 0.000 0.260 339 G C -1.636 173.052 174.900 -0.354 0.000 1.226 339 G CA 0.123 44.894 45.100 -0.549 0.000 0.913 339 G HN 0.970 nan 8.290 nan 0.000 0.483 340 E N -1.057 118.900 120.200 -0.406 0.000 2.343 340 E HA 0.673 5.023 4.350 -0.000 0.000 0.270 340 E C -1.128 175.375 176.600 -0.162 0.000 0.895 340 E CA -0.587 55.696 56.400 -0.196 0.000 0.767 340 E CB 2.268 31.876 29.700 -0.154 0.000 1.248 340 E HN 0.546 nan 8.360 nan 0.000 0.440 341 V N 2.494 122.405 119.914 -0.006 0.000 2.435 341 V HA 0.877 4.997 4.120 -0.000 0.000 0.290 341 V C 0.455 176.568 176.094 0.033 0.000 1.030 341 V CA 0.010 62.352 62.300 0.069 0.000 0.881 341 V CB 1.253 33.209 31.823 0.223 0.000 0.983 341 V HN 0.708 nan 8.190 nan 0.000 0.445 342 G N 2.210 111.023 108.800 0.023 0.000 2.658 342 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 342 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 342 G C -1.068 173.857 174.900 0.041 0.000 1.320 342 G CA -0.757 44.352 45.100 0.015 0.000 0.933 342 G HN 0.593 nan 8.290 nan 0.000 0.476 343 V N 0.622 120.556 119.914 0.034 0.000 2.811 343 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 343 V C 1.427 177.543 176.094 0.036 0.000 1.063 343 V CA 0.673 62.998 62.300 0.043 0.000 1.088 343 V CB 0.735 32.578 31.823 0.034 0.000 0.982 343 V HN 1.165 nan 8.190 nan 0.000 0.485 344 G N 4.591 113.417 108.800 0.043 0.000 2.855 344 G HA2 0.221 4.181 3.960 -0.000 0.000 0.248 344 G HA3 0.221 4.181 3.960 -0.000 0.000 0.248 344 G C 0.448 175.360 174.900 0.019 0.000 1.243 344 G CA 0.307 45.428 45.100 0.035 0.000 0.881 344 G HN 1.383 nan 8.290 nan 0.000 0.598 345 S N -1.109 114.599 115.700 0.014 0.000 2.607 345 S HA 0.345 4.815 4.470 -0.000 0.000 0.272 345 S C 0.437 175.043 174.600 0.011 0.000 1.166 345 S CA 0.107 58.312 58.200 0.007 0.000 1.021 345 S CB 0.963 64.164 63.200 0.001 0.000 1.113 345 S HN 0.768 nan 8.310 nan 0.000 0.531 346 E N 0.860 121.065 120.200 0.008 0.000 1.774 346 E HA 0.336 4.686 4.350 -0.000 0.000 0.265 346 E C -0.149 176.460 176.600 0.014 0.000 1.207 346 E CA 0.086 56.492 56.400 0.011 0.000 1.054 346 E CB -0.786 28.919 29.700 0.008 0.000 1.074 346 E HN 0.591 nan 8.360 nan 0.000 0.433 347 Q N 0.728 120.539 119.800 0.018 0.000 2.854 347 Q HA 0.342 4.682 4.340 -0.000 0.000 0.331 347 Q C -0.169 175.847 176.000 0.027 0.000 0.859 347 Q CA -1.005 54.811 55.803 0.022 0.000 0.787 347 Q CB 0.611 29.363 28.738 0.024 0.000 1.410 347 Q HN 0.213 nan 8.270 nan 0.000 0.510 348 E N 0.389 120.609 120.200 0.033 0.000 2.437 348 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 348 E C -0.094 176.533 176.600 0.045 0.000 1.029 348 E CA 0.018 56.441 56.400 0.039 0.000 0.948 348 E CB 0.518 30.245 29.700 0.045 0.000 1.082 348 E HN 0.680 nan 8.360 nan 0.000 0.456 349 G N 0.406 109.229 108.800 0.040 0.000 2.630 349 G HA2 0.454 4.414 3.960 -0.000 0.000 0.223 349 G HA3 0.454 4.414 3.960 -0.000 0.000 0.223 349 G C -0.093 174.822 174.900 0.024 0.000 1.434 349 G CA 0.011 45.137 45.100 0.043 0.000 1.057 349 G HN 0.229 nan 8.290 nan 0.000 0.570 350 A N -0.785 122.052 122.820 0.028 0.000 2.561 350 A HA 0.239 4.559 4.320 -0.000 0.000 0.234 350 A C 1.457 179.062 177.584 0.034 0.000 1.055 350 A CA 0.485 52.533 52.037 0.018 0.000 0.756 350 A CB 0.216 19.269 19.000 0.087 0.000 0.986 350 A HN 0.646 nan 8.150 nan 0.000 0.505 351 K N 0.564 120.980 120.400 0.026 0.000 2.103 351 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 351 K C 0.566 177.214 176.600 0.081 0.000 1.052 351 K CA 1.549 57.864 56.287 0.046 0.000 0.945 351 K CB -0.481 32.044 32.500 0.041 0.000 0.722 351 K HN 0.755 nan 8.250 nan 0.000 0.443 352 V N -0.881 119.111 119.914 0.130 0.000 2.914 352 V HA 0.489 4.609 4.120 -0.000 0.000 0.314 352 V C -1.326 174.913 176.094 0.241 0.000 1.084 352 V CA -1.069 61.337 62.300 0.177 0.000 0.963 352 V CB 2.220 34.173 31.823 0.217 0.000 1.025 352 V HN 0.064 nan 8.190 nan 0.000 0.432 353 E N 2.089 122.399 120.200 0.183 0.000 2.314 353 E HA 0.485 4.835 4.350 -0.000 0.000 0.272 353 E C -1.938 174.644 176.600 -0.031 0.000 0.884 353 E CA -0.517 55.944 56.400 0.101 0.000 0.753 353 E CB 3.114 32.826 29.700 0.019 0.000 1.213 353 E HN 0.721 nan 8.360 nan 0.000 0.432 354 F N 1.716 121.372 119.950 -0.490 0.000 2.410 354 F HA 0.382 4.909 4.527 -0.000 0.000 0.349 354 F C -0.617 174.758 175.800 -0.707 0.000 1.117 354 F CA -0.376 57.129 58.000 -0.825 0.000 1.104 354 F CB 1.230 39.204 39.000 -1.711 0.000 1.122 354 F HN 0.172 nan 8.300 nan 0.000 0.483 355 S N 7.830 122.787 115.700 -1.238 0.000 2.640 355 S HA 0.420 4.890 4.470 -0.000 0.000 0.320 355 S C -2.641 171.212 174.600 -1.246 0.000 1.097 355 S CA -1.203 56.412 58.200 -0.974 0.000 1.092 355 S CB 1.278 64.186 63.200 -0.486 0.000 0.988 355 S HN 0.409 nan 8.310 nan 0.000 0.470 356 P HA 0.141 nan 4.420 nan 0.000 0.268 356 P C 0.379 177.357 177.300 -0.537 0.000 1.205 356 P CA -0.091 62.409 63.100 -1.000 0.000 0.771 356 P CB 0.748 31.969 31.700 -0.800 0.000 0.858 357 S N 1.975 117.381 115.700 -0.491 0.000 2.549 357 S HA 0.313 4.783 4.470 -0.000 0.000 0.225 357 S C 0.420 174.966 174.600 -0.090 0.000 1.039 357 S CA -0.124 57.980 58.200 -0.159 0.000 0.942 357 S CB -0.324 62.773 63.200 -0.173 0.000 0.881 357 S HN 0.528 nan 8.310 nan 0.000 0.503 358 M N -0.198 119.104 119.600 -0.497 0.000 2.562 358 M HA 0.863 5.343 4.480 -0.000 0.000 0.281 358 M C -1.835 173.856 176.300 -1.014 0.000 1.195 358 M CA -0.916 54.087 55.300 -0.495 0.000 0.888 358 M CB 1.567 34.111 32.600 -0.094 0.000 1.731 358 M HN 0.118 nan 8.290 nan 0.000 0.493 359 A N 0.701 122.767 122.820 -1.257 0.000 2.606 359 A HA 1.059 5.379 4.320 -0.000 0.000 0.293 359 A C -0.705 176.096 177.584 -1.306 0.000 1.082 359 A CA -0.040 51.118 52.037 -1.464 0.000 0.685 359 A CB 1.728 19.975 19.000 -1.255 0.000 1.284 359 A HN 1.614 nan 8.150 nan 0.000 0.408 360 G N -0.768 106.972 108.800 -1.768 0.000 2.677 360 G HA2 0.612 4.572 3.960 -0.000 0.000 0.283 360 G HA3 0.612 4.572 3.960 -0.000 0.000 0.283 360 G C -1.809 172.554 174.900 -0.894 0.000 1.221 360 G CA -0.464 44.067 45.100 -0.948 0.000 0.851 360 G HN 0.606 nan 8.290 nan 0.000 0.504 361 F N 0.086 119.849 119.950 -0.312 0.000 2.495 361 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 361 F C 0.962 176.863 175.800 0.169 0.000 1.103 361 F CA -0.637 57.143 58.000 -0.368 0.000 0.949 361 F CB 2.377 40.550 39.000 -1.378 0.000 1.142 361 F HN 0.347 nan 8.300 nan 0.000 0.457 362 L N 1.165 122.596 121.223 0.347 0.000 2.131 362 L HA 0.189 4.529 4.340 -0.000 0.000 0.206 362 L C 0.007 176.962 176.870 0.142 0.000 1.087 362 L CA 1.748 56.747 54.840 0.264 0.000 0.767 362 L CB -0.171 42.001 42.059 0.188 0.000 0.917 362 L HN 0.531 nan 8.230 nan 0.000 0.441 363 D N -2.515 117.955 120.400 0.116 0.000 2.977 363 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 363 D C -0.584 175.727 176.300 0.019 0.000 1.267 363 D CA -0.396 53.625 54.000 0.034 0.000 0.884 363 D CB 0.782 41.602 40.800 0.033 0.000 1.667 363 D HN 0.070 nan 8.370 nan 0.000 0.536 364 W N 2.205 123.381 121.300 -0.206 0.000 3.180 364 W HA 0.249 4.909 4.660 -0.000 0.000 0.254 364 W C 1.567 177.984 176.519 -0.170 0.000 1.318 364 W CA -0.178 56.959 57.345 -0.346 0.000 1.608 364 W CB 0.308 29.527 29.460 -0.401 0.000 1.124 364 W HN 0.363 nan 8.180 nan 0.000 0.694 365 G N 0.323 109.189 108.800 0.109 0.000 2.380 365 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.242 365 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.242 365 G C 0.325 175.357 174.900 0.219 0.000 1.298 365 G CA -0.500 44.683 45.100 0.138 0.000 0.878 365 G HN 0.211 nan 8.290 nan 0.000 0.542 366 F N 2.047 122.104 119.950 0.178 0.000 2.095 366 F HA -0.151 4.375 4.527 -0.000 0.000 0.298 366 F C 2.437 178.403 175.800 0.277 0.000 1.104 366 F CA 2.158 60.308 58.000 0.250 0.000 1.232 366 F CB 0.260 39.495 39.000 0.392 0.000 0.987 366 F HN 0.361 nan 8.300 nan 0.000 0.475 367 S N 0.326 116.244 115.700 0.363 0.000 2.631 367 S HA 0.390 4.860 4.470 -0.000 0.000 0.217 367 S C 0.512 175.061 174.600 -0.084 0.000 0.958 367 S CA 0.126 58.329 58.200 0.005 0.000 0.920 367 S CB -0.513 62.687 63.200 -0.000 0.000 0.776 367 S HN 0.432 nan 8.310 nan 0.000 0.517 368 A N 1.330 124.206 122.820 0.094 0.000 2.301 368 A HA 0.778 5.098 4.320 -0.000 0.000 0.298 368 A C -0.626 177.179 177.584 0.369 0.000 1.185 368 A CA -0.314 51.804 52.037 0.135 0.000 0.830 368 A CB 0.515 19.579 19.000 0.106 0.000 1.112 368 A HN 0.461 nan 8.150 nan 0.000 0.508 369 Y N 0.969 121.418 120.300 0.249 0.000 2.930 369 Y HA 0.399 4.949 4.550 -0.000 0.000 0.336 369 Y C 0.679 176.848 175.900 0.447 0.000 1.416 369 Y CA -0.093 58.226 58.100 0.364 0.000 1.091 369 Y CB 0.560 39.324 38.460 0.506 0.000 1.631 369 Y HN 1.643 nan 8.280 nan 0.000 0.436 370 A N 0.628 123.395 122.820 -0.089 0.000 2.550 370 A HA -0.038 4.282 4.320 -0.000 0.000 0.298 370 A C 0.211 177.864 177.584 0.115 0.000 1.485 370 A CA 0.995 53.012 52.037 -0.034 0.000 0.780 370 A CB -2.189 16.924 19.000 0.188 0.000 1.045 370 A HN 1.668 nan 8.150 nan 0.000 0.423 371 A N -0.455 122.423 122.820 0.097 0.000 2.540 371 A HA 0.559 4.879 4.320 -0.000 0.000 0.239 371 A C 0.761 178.468 177.584 0.203 0.000 1.061 371 A CA 0.773 52.922 52.037 0.186 0.000 0.758 371 A CB 0.111 19.203 19.000 0.153 0.000 0.991 371 A HN 2.342 nan 8.150 nan 0.000 0.502 372 A N 2.617 125.640 122.820 0.337 0.000 2.385 372 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 372 A C 0.276 178.242 177.584 0.636 0.000 1.094 372 A CA 0.174 52.452 52.037 0.402 0.000 0.729 372 A CB 0.881 20.045 19.000 0.274 0.000 1.194 372 A HN 1.767 nan 8.150 nan 0.000 0.442 373 G N 0.579 109.735 108.800 0.594 0.000 3.016 373 G HA2 0.743 4.703 3.960 -0.000 0.000 0.270 373 G HA3 0.743 4.703 3.960 -0.000 0.000 0.270 373 G C -0.848 174.312 174.900 0.433 0.000 1.352 373 G CA -0.729 44.622 45.100 0.420 0.000 1.060 373 G HN 0.794 nan 8.290 nan 0.000 0.538 374 K N -1.740 118.556 120.400 -0.173 0.000 2.642 374 K HA 0.452 4.772 4.320 -0.000 0.000 0.290 374 K C -1.142 175.340 176.600 -0.198 0.000 1.006 374 K CA -0.567 55.790 56.287 0.116 0.000 0.869 374 K CB 1.601 34.395 32.500 0.489 0.000 1.499 374 K HN 0.406 nan 8.250 nan 0.000 0.403 375 V N 2.777 122.746 119.914 0.092 0.000 2.614 375 V HA 0.331 4.451 4.120 -0.000 0.000 0.291 375 V C -0.296 175.834 176.094 0.060 0.000 1.049 375 V CA -0.457 61.849 62.300 0.010 0.000 1.038 375 V CB 0.944 32.798 31.823 0.051 0.000 0.980 375 V HN 0.579 nan 8.190 nan 0.000 0.481 376 L N 8.907 130.111 121.223 -0.031 0.000 2.356 376 L HA 0.573 4.913 4.340 -0.000 0.000 0.264 376 L C -2.468 174.410 176.870 0.015 0.000 1.029 376 L CA -1.895 52.904 54.840 -0.069 0.000 0.897 376 L CB 1.200 43.088 42.059 -0.284 0.000 1.256 376 L HN 0.404 nan 8.230 nan 0.000 0.444 377 P HA 0.014 nan 4.420 nan 0.000 0.264 377 P C 0.297 177.636 177.300 0.064 0.000 1.179 377 P CA 0.363 63.523 63.100 0.101 0.000 0.763 377 P CB 0.803 32.582 31.700 0.132 0.000 0.806 378 A N 2.759 125.618 122.820 0.065 0.000 2.121 378 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 378 A C 1.902 179.510 177.584 0.041 0.000 1.154 378 A CA 1.824 53.887 52.037 0.043 0.000 0.679 378 A CB -1.251 17.776 19.000 0.046 0.000 0.795 378 A HN 0.587 nan 8.150 nan 0.000 0.458 379 S N 0.315 116.050 115.700 0.058 0.000 2.562 379 S HA 0.065 4.535 4.470 -0.000 0.000 0.221 379 S C 1.004 175.640 174.600 0.060 0.000 0.975 379 S CA 0.359 58.593 58.200 0.057 0.000 0.918 379 S CB -0.870 62.371 63.200 0.068 0.000 0.772 379 S HN 0.732 nan 8.310 nan 0.000 0.531 380 S N 1.047 116.785 115.700 0.063 0.000 2.573 380 S HA 0.599 5.069 4.470 -0.000 0.000 0.277 380 S C 1.373 176.000 174.600 0.044 0.000 1.346 380 S CA -0.290 57.953 58.200 0.071 0.000 1.034 380 S CB 0.950 64.192 63.200 0.070 0.000 0.879 380 S HN 0.514 nan 8.310 nan 0.000 0.528 381 A N 2.411 125.261 122.820 0.050 0.000 1.972 381 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 381 A C 2.077 179.663 177.584 0.002 0.000 1.169 381 A CA 1.517 53.569 52.037 0.026 0.000 0.635 381 A CB -1.136 17.881 19.000 0.028 0.000 0.810 381 A HN 0.785 nan 8.150 nan 0.000 0.446 382 V N -0.268 119.647 119.914 0.001 0.000 2.237 382 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 382 V C 2.777 178.845 176.094 -0.044 0.000 1.046 382 V CA 2.439 64.718 62.300 -0.035 0.000 1.007 382 V CB -0.876 30.913 31.823 -0.056 0.000 0.638 382 V HN 0.563 nan 8.190 nan 0.000 0.445 383 S N -0.732 114.947 115.700 -0.034 0.000 2.399 383 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 383 S C 1.933 176.522 174.600 -0.019 0.000 1.022 383 S CA 1.305 59.487 58.200 -0.031 0.000 0.983 383 S CB -0.254 62.935 63.200 -0.018 0.000 0.803 383 S HN 0.569 nan 8.310 nan 0.000 0.480 384 K N 0.631 121.025 120.400 -0.009 0.000 2.097 384 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 384 K C 2.235 178.825 176.600 -0.017 0.000 1.050 384 K CA 1.417 57.700 56.287 -0.006 0.000 0.938 384 K CB -0.334 32.167 32.500 0.003 0.000 0.718 384 K HN 0.238 nan 8.250 nan 0.000 0.442 385 T N 0.729 115.268 114.554 -0.025 0.000 2.777 385 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 385 T C 2.033 176.708 174.700 -0.042 0.000 1.040 385 T CA 1.736 63.815 62.100 -0.035 0.000 1.141 385 T CB -0.135 68.706 68.868 -0.045 0.000 0.868 385 T HN 0.342 nan 8.240 nan 0.000 0.444 386 S N 0.287 115.959 115.700 -0.048 0.000 2.527 386 S HA 0.315 4.785 4.470 -0.000 0.000 0.222 386 S C 1.780 176.356 174.600 -0.040 0.000 0.985 386 S CA 0.636 58.804 58.200 -0.053 0.000 0.921 386 S CB -0.220 62.941 63.200 -0.065 0.000 0.772 386 S HN 0.735 nan 8.310 nan 0.000 0.529 387 G N 0.539 109.321 108.800 -0.030 0.000 2.137 387 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.237 387 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.237 387 G C -0.072 174.817 174.900 -0.018 0.000 1.002 387 G CA -0.026 45.062 45.100 -0.021 0.000 0.702 387 G HN 0.681 nan 8.290 nan 0.000 0.515 388 V N 1.097 120.999 119.914 -0.021 0.000 2.455 388 V HA 0.257 4.377 4.120 -0.000 0.000 0.273 388 V C 1.271 177.364 176.094 -0.002 0.000 1.045 388 V CA 0.101 62.391 62.300 -0.016 0.000 0.976 388 V CB 1.422 33.229 31.823 -0.026 0.000 0.993 388 V HN 0.402 nan 8.190 nan 0.000 0.475 389 E N 3.015 123.218 120.200 0.004 0.000 2.479 389 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 389 E C 0.289 176.905 176.600 0.027 0.000 1.049 389 E CA 0.363 56.772 56.400 0.015 0.000 0.870 389 E CB 0.980 30.687 29.700 0.013 0.000 0.944 389 E HN 0.660 nan 8.360 nan 0.000 0.492 390 V N -1.119 118.812 119.914 0.028 0.000 2.815 390 V HA 0.441 4.561 4.120 -0.000 0.000 0.314 390 V C -0.408 175.722 176.094 0.060 0.000 1.064 390 V CA -1.236 61.092 62.300 0.046 0.000 0.952 390 V CB 2.115 33.963 31.823 0.042 0.000 1.020 390 V HN -0.265 nan 8.190 nan 0.000 0.439 391 D N 2.322 122.780 120.400 0.097 0.000 2.389 391 D HA 0.458 5.098 4.640 -0.000 0.000 0.247 391 D C 0.100 176.484 176.300 0.140 0.000 1.128 391 D CA 0.273 54.349 54.000 0.127 0.000 0.884 391 D CB 0.953 41.872 40.800 0.197 0.000 1.194 391 D HN 0.595 nan 8.370 nan 0.000 0.441 392 R N 0.993 121.551 120.500 0.097 0.000 2.902 392 R HA 0.465 4.805 4.340 -0.000 0.000 0.258 392 R C -0.953 175.409 176.300 0.103 0.000 1.071 392 R CA -0.992 55.160 56.100 0.087 0.000 1.024 392 R CB 1.555 31.846 30.300 -0.015 0.000 1.184 392 R HN 0.418 nan 8.270 nan 0.000 0.492 393 Y N 0.950 121.254 120.300 0.007 0.000 2.376 393 Y HA 0.341 4.891 4.550 -0.000 0.000 0.326 393 Y C -1.154 174.715 175.900 -0.052 0.000 0.970 393 Y CA -0.688 57.405 58.100 -0.012 0.000 1.248 393 Y CB 1.211 39.716 38.460 0.075 0.000 1.117 393 Y HN 0.204 nan 8.280 nan 0.000 0.476 394 V N 5.418 125.029 119.914 -0.505 0.000 2.394 394 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 394 V C -0.140 175.674 176.094 -0.467 0.000 1.031 394 V CA -0.442 61.591 62.300 -0.444 0.000 0.881 394 V CB 1.399 32.924 31.823 -0.498 0.000 0.982 394 V HN 0.769 nan 8.190 nan 0.000 0.451 395 S N 4.914 120.421 115.700 -0.322 0.000 2.472 395 S HA 0.749 5.219 4.470 -0.000 0.000 0.303 395 S C -1.070 173.385 174.600 -0.242 0.000 1.099 395 S CA -0.440 57.702 58.200 -0.096 0.000 1.077 395 S CB 0.555 63.823 63.200 0.112 0.000 1.031 395 S HN 0.399 nan 8.310 nan 0.000 0.487 396 F N 3.749 123.772 119.950 0.123 0.000 2.402 396 F HA 0.475 5.002 4.527 -0.000 0.000 0.355 396 F C 0.054 175.972 175.800 0.196 0.000 1.123 396 F CA -0.759 57.322 58.000 0.136 0.000 1.021 396 F CB 1.634 40.720 39.000 0.144 0.000 1.160 396 F HN 0.213 nan 8.300 nan 0.000 0.451 397 V N 2.806 122.900 119.914 0.301 0.000 2.539 397 V HA 0.162 4.282 4.120 -0.000 0.000 0.292 397 V C -0.624 175.686 176.094 0.359 0.000 1.045 397 V CA -0.879 61.594 62.300 0.289 0.000 0.945 397 V CB 1.416 33.352 31.823 0.187 0.000 0.993 397 V HN 0.730 nan 8.190 nan 0.000 0.464 398 W N 5.938 127.348 121.300 0.182 0.000 2.315 398 W HA 0.580 5.240 4.660 -0.000 0.000 0.316 398 W C -0.776 175.831 176.519 0.147 0.000 1.211 398 W CA -1.070 56.378 57.345 0.172 0.000 1.201 398 W CB 1.137 30.720 29.460 0.205 0.000 1.184 398 W HN 0.398 nan 8.180 nan 0.000 0.544 399 L N 7.415 128.536 121.223 -0.171 0.000 2.384 399 L HA 0.262 4.602 4.340 -0.000 0.000 0.261 399 L C 0.384 176.874 176.870 -0.634 0.000 1.024 399 L CA -0.237 54.383 54.840 -0.367 0.000 0.899 399 L CB 0.678 42.572 42.059 -0.275 0.000 1.243 399 L HN 0.470 nan 8.230 nan 0.000 0.449 400 T N 2.211 115.972 114.554 -1.322 0.000 2.946 400 T HA 0.210 4.560 4.350 -0.000 0.000 0.311 400 T C 1.361 175.822 174.700 -0.399 0.000 1.063 400 T CA 0.715 62.066 62.100 -1.248 0.000 1.139 400 T CB 0.832 68.665 68.868 -1.725 0.000 0.994 400 T HN 0.807 nan 8.240 nan 0.000 0.547 401 G N 2.600 111.230 108.800 -0.284 0.000 2.683 401 G HA2 0.052 4.012 3.960 -0.000 0.000 0.213 401 G HA3 0.052 4.012 3.960 -0.000 0.000 0.213 401 G C 0.417 174.829 174.900 -0.813 0.000 1.142 401 G CA 0.440 45.216 45.100 -0.540 0.000 0.793 401 G HN 0.851 nan 8.290 nan 0.000 0.534 402 D N -1.170 118.909 120.400 -0.535 0.000 2.895 402 D HA 0.152 4.792 4.640 -0.000 0.000 0.350 402 D C 0.353 176.508 176.300 -0.241 0.000 1.389 402 D CA -0.776 52.957 54.000 -0.444 0.000 0.812 402 D CB -0.783 39.831 40.800 -0.311 0.000 1.164 402 D HN 0.244 nan 8.370 nan 0.000 0.455 403 Q N 0.145 119.785 119.800 -0.266 0.000 2.435 403 Q HA -0.276 4.064 4.340 -0.000 0.000 0.312 403 Q C -0.701 175.304 176.000 0.009 0.000 1.333 403 Q CA 0.458 56.231 55.803 -0.050 0.000 0.883 403 Q CB -2.213 26.633 28.738 0.180 0.000 1.170 403 Q HN 0.555 nan 8.270 nan 0.000 0.443 404 Y N -2.266 117.979 120.300 -0.092 0.000 3.589 404 Y HA -0.325 4.225 4.550 -0.000 0.000 0.218 404 Y C 0.589 176.518 175.900 0.048 0.000 1.234 404 Y CA 1.270 59.332 58.100 -0.062 0.000 1.576 404 Y CB -2.519 35.778 38.460 -0.272 0.000 1.487 404 Y HN 0.578 nan 8.280 nan 0.000 0.616 405 E N -2.025 118.236 120.200 0.102 0.000 2.868 405 E HA -0.323 4.027 4.350 -0.000 0.000 0.278 405 E C 0.674 177.338 176.600 0.108 0.000 1.009 405 E CA 0.692 57.151 56.400 0.097 0.000 0.856 405 E CB -0.532 29.247 29.700 0.131 0.000 1.428 405 E HN 0.601 nan 8.360 nan 0.000 0.423 406 Q N -1.693 118.180 119.800 0.122 0.000 2.171 406 Q HA 0.308 4.648 4.340 -0.000 0.000 0.218 406 Q C 0.397 176.452 176.000 0.091 0.000 0.822 406 Q CA 0.643 56.522 55.803 0.126 0.000 0.987 406 Q CB 1.091 29.944 28.738 0.192 0.000 1.144 406 Q HN 0.350 nan 8.270 nan 0.000 0.494 407 A N 1.564 124.419 122.820 0.059 0.000 2.498 407 A HA 0.018 4.338 4.320 -0.000 0.000 0.239 407 A C 0.197 177.812 177.584 0.052 0.000 1.068 407 A CA -0.046 52.018 52.037 0.044 0.000 0.766 407 A CB 0.132 19.141 19.000 0.014 0.000 1.003 407 A HN 0.014 nan 8.150 nan 0.000 0.497 408 D N 1.785 122.211 120.400 0.043 0.000 2.608 408 D HA 0.360 5.000 4.640 -0.000 0.000 0.224 408 D C 1.112 177.424 176.300 0.021 0.000 1.123 408 D CA 1.191 55.207 54.000 0.027 0.000 1.030 408 D CB -0.952 39.856 40.800 0.014 0.000 1.093 408 D HN 1.153 nan 8.370 nan 0.000 0.497 409 G N 3.320 112.140 108.800 0.033 0.000 2.324 409 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.292 409 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.292 409 G C 0.160 175.070 174.900 0.017 0.000 1.079 409 G CA -0.153 44.959 45.100 0.020 0.000 1.026 409 G HN 0.497 nan 8.290 nan 0.000 0.506 410 F N 1.685 121.585 119.950 -0.083 0.000 2.563 410 F HA 0.458 4.985 4.527 -0.000 0.000 0.363 410 F C -0.839 174.909 175.800 -0.087 0.000 1.123 410 F CA -1.383 56.547 58.000 -0.116 0.000 1.307 410 F CB 0.800 39.691 39.000 -0.181 0.000 1.115 410 F HN 0.095 nan 8.300 nan 0.000 0.592 411 P HA 0.044 nan 4.420 nan 0.000 0.230 411 P C 0.255 177.471 177.300 -0.141 0.000 1.791 411 P CA 0.152 63.033 63.100 -0.364 0.000 1.020 411 P CB 0.020 31.480 31.700 -0.401 0.000 1.977 412 T N 1.070 115.690 114.554 0.109 0.000 2.708 412 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 412 T C 1.970 176.698 174.700 0.048 0.000 1.037 412 T CA 1.866 64.050 62.100 0.140 0.000 1.146 412 T CB -0.312 68.627 68.868 0.119 0.000 0.865 412 T HN 0.297 nan 8.240 nan 0.000 0.435 413 A N 1.147 123.990 122.820 0.038 0.000 1.972 413 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 413 A C 2.272 179.882 177.584 0.044 0.000 1.169 413 A CA 1.445 53.509 52.037 0.044 0.000 0.635 413 A CB -0.558 18.464 19.000 0.036 0.000 0.810 413 A HN 0.391 nan 8.150 nan 0.000 0.446 414 Q N -0.820 118.987 119.800 0.012 0.000 2.172 414 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 414 Q C 2.117 178.127 176.000 0.017 0.000 0.964 414 Q CA 1.775 57.584 55.803 0.010 0.000 0.855 414 Q CB -0.283 28.437 28.738 -0.030 0.000 0.918 414 Q HN 0.860 nan 8.270 nan 0.000 0.444 415 Q N -0.890 118.893 119.800 -0.029 0.000 2.137 415 Q HA -0.006 4.334 4.340 -0.000 0.000 0.198 415 Q C 0.649 176.633 176.000 -0.027 0.000 0.960 415 Q CA 1.032 56.758 55.803 -0.128 0.000 0.847 415 Q CB 0.113 28.658 28.738 -0.321 0.000 0.915 415 Q HN 0.449 nan 8.270 nan 0.000 0.448 416 G N 0.041 108.885 108.800 0.074 0.000 2.143 416 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.249 416 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.249 416 G C -0.383 174.728 174.900 0.351 0.000 0.981 416 G CA 0.491 45.773 45.100 0.304 0.000 0.665 416 G HN 0.429 nan 8.290 nan 0.000 0.528 417 W N -2.034 119.260 121.300 -0.010 0.000 3.057 417 W HA 0.655 5.315 4.660 -0.000 0.000 0.328 417 W C -1.097 175.387 176.519 -0.058 0.000 1.232 417 W CA -0.410 56.907 57.345 -0.047 0.000 1.187 417 W CB 0.433 29.771 29.460 -0.203 0.000 1.417 417 W HN 0.526 nan 8.180 nan 0.000 0.569 418 T N 1.596 116.276 114.554 0.211 0.000 3.172 418 T HA 0.610 4.960 4.350 -0.000 0.000 0.320 418 T C 0.008 174.847 174.700 0.233 0.000 1.085 418 T CA 0.525 62.604 62.100 -0.035 0.000 1.052 418 T CB 1.208 70.037 68.868 -0.065 0.000 1.107 418 T HN 1.613 nan 8.240 nan 0.000 0.458 419 G N 1.878 110.794 108.800 0.193 0.000 2.795 419 G HA2 0.256 4.216 3.960 -0.000 0.000 0.664 419 G HA3 0.256 4.216 3.960 -0.000 0.000 0.664 419 G C -0.382 174.828 174.900 0.517 0.000 1.381 419 G CA -0.100 45.236 45.100 0.394 0.000 0.853 419 G HN 1.429 nan 8.290 nan 0.000 0.545 420 S N -1.449 114.491 115.700 0.400 0.000 2.595 420 S HA 0.668 5.138 4.470 -0.000 0.000 0.270 420 S C -0.503 174.233 174.600 0.228 0.000 1.145 420 S CA -0.314 58.029 58.200 0.239 0.000 0.825 420 S CB 0.994 64.319 63.200 0.209 0.000 1.107 420 S HN 1.149 nan 8.310 nan 0.000 0.461 421 L N 2.446 123.779 121.223 0.183 0.000 2.400 421 L HA 0.592 4.932 4.340 -0.000 0.000 0.264 421 L C -0.149 176.873 176.870 0.253 0.000 1.061 421 L CA -0.968 54.015 54.840 0.239 0.000 0.799 421 L CB 0.831 43.012 42.059 0.203 0.000 1.240 421 L HN 0.601 nan 8.230 nan 0.000 0.461 422 L N 0.781 122.136 121.223 0.221 0.000 2.416 422 L HA 0.401 4.741 4.340 -0.000 0.000 0.263 422 L C -0.084 176.801 176.870 0.025 0.000 1.065 422 L CA -0.946 53.999 54.840 0.175 0.000 0.798 422 L CB 1.023 43.150 42.059 0.112 0.000 1.267 422 L HN 0.365 nan 8.230 nan 0.000 0.467 423 L N 1.480 122.631 121.223 -0.119 0.000 2.514 423 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 423 L C -2.065 174.739 176.870 -0.109 0.000 1.223 423 L CA -1.522 53.215 54.840 -0.171 0.000 0.864 423 L CB -0.263 41.739 42.059 -0.095 0.000 1.118 423 L HN 0.260 nan 8.230 nan 0.000 0.494 424 P HA 0.094 nan 4.420 nan 0.000 0.265 424 P C -1.002 176.107 177.300 -0.317 0.000 1.193 424 P CA 0.303 63.091 63.100 -0.520 0.000 0.765 424 P CB 0.464 31.888 31.700 -0.461 0.000 0.823 425 R N 2.205 122.509 120.500 -0.327 0.000 2.534 425 R HA 0.336 4.676 4.340 -0.000 0.000 0.301 425 R C -0.272 175.936 176.300 -0.153 0.000 0.961 425 R CA -0.741 55.270 56.100 -0.148 0.000 0.871 425 R CB 1.940 32.232 30.300 -0.014 0.000 1.170 425 R HN 0.466 nan 8.270 nan 0.000 0.446 426 E N 2.444 122.578 120.200 -0.111 0.000 2.259 426 E HA 0.194 4.543 4.350 -0.000 0.000 0.281 426 E C -0.797 175.777 176.600 -0.045 0.000 1.027 426 E CA -0.494 55.857 56.400 -0.082 0.000 0.838 426 E CB 0.941 30.593 29.700 -0.081 0.000 1.066 426 E HN 0.005 nan 8.360 nan 0.000 0.401 427 L N 4.159 125.380 121.223 -0.004 0.000 2.329 427 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 427 L C -0.056 176.733 176.870 -0.135 0.000 1.014 427 L CA -0.206 54.589 54.840 -0.076 0.000 0.814 427 L CB 1.159 43.199 42.059 -0.030 0.000 1.257 427 L HN 0.587 nan 8.230 nan 0.000 0.424 428 K N 0.918 121.157 120.400 -0.268 0.000 2.544 428 K HA 0.619 4.939 4.320 -0.000 0.000 0.282 428 K C -1.677 174.684 176.600 -0.399 0.000 1.020 428 K CA -0.933 55.184 56.287 -0.284 0.000 0.830 428 K CB 1.172 33.592 32.500 -0.132 0.000 1.521 428 K HN 0.005 nan 8.250 nan 0.000 0.376 429 V N 1.923 121.674 119.914 -0.273 0.000 2.408 429 V HA 0.180 4.300 4.120 -0.000 0.000 0.267 429 V C -0.397 175.649 176.094 -0.081 0.000 1.047 429 V CA -0.109 62.086 62.300 -0.175 0.000 0.937 429 V CB 0.656 32.459 31.823 -0.034 0.000 0.999 429 V HN 0.653 nan 8.190 nan 0.000 0.472 430 Q N 4.234 124.001 119.800 -0.055 0.000 2.245 430 Q HA 0.599 4.939 4.340 -0.000 0.000 0.256 430 Q C -0.144 175.872 176.000 0.027 0.000 0.942 430 Q CA -0.329 55.469 55.803 -0.009 0.000 0.896 430 Q CB 1.790 30.532 28.738 0.006 0.000 1.272 430 Q HN 0.913 nan 8.270 nan 0.000 0.442 431 T N -0.267 114.298 114.554 0.018 0.000 2.885 431 T HA 0.783 5.133 4.350 -0.000 0.000 0.285 431 T C -0.822 173.876 174.700 -0.004 0.000 1.019 431 T CA -0.815 61.292 62.100 0.011 0.000 1.010 431 T CB 1.312 70.182 68.868 0.003 0.000 1.022 431 T HN 0.310 nan 8.240 nan 0.000 0.466 432 V N 2.456 122.347 119.914 -0.038 0.000 2.407 432 V HA 0.418 4.538 4.120 -0.000 0.000 0.291 432 V C -0.094 175.948 176.094 -0.086 0.000 1.018 432 V CA -0.783 61.480 62.300 -0.061 0.000 0.842 432 V CB 1.147 32.902 31.823 -0.114 0.000 0.996 432 V HN 0.972 nan 8.190 nan 0.000 0.426 433 E N 2.725 122.893 120.200 -0.052 0.000 2.280 433 E HA 0.437 4.787 4.350 -0.000 0.000 0.264 433 E C 0.138 176.708 176.600 -0.050 0.000 1.064 433 E CA -0.582 55.788 56.400 -0.050 0.000 0.900 433 E CB 0.629 30.313 29.700 -0.027 0.000 1.123 433 E HN 0.772 nan 8.360 nan 0.000 0.418 434 N N -0.841 117.832 118.700 -0.046 0.000 2.735 434 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 434 N C -1.082 174.402 175.510 -0.045 0.000 1.083 434 N CA -0.159 52.870 53.050 -0.036 0.000 0.703 434 N CB -1.116 37.359 38.487 -0.020 0.000 1.005 434 N HN 0.035 nan 8.380 nan 0.000 0.550 435 V N 0.985 120.848 119.914 -0.085 0.000 2.498 435 V HA 0.197 4.317 4.120 -0.000 0.000 0.279 435 V C 1.013 177.067 176.094 -0.067 0.000 1.048 435 V CA -0.655 61.580 62.300 -0.109 0.000 0.967 435 V CB 1.643 33.294 31.823 -0.287 0.000 0.988 435 V HN 0.029 nan 8.190 nan 0.000 0.473 436 V N 4.090 123.993 119.914 -0.017 0.000 2.485 436 V HA 0.032 4.152 4.120 -0.000 0.000 0.287 436 V C 0.744 176.842 176.094 0.006 0.000 1.022 436 V CA -0.060 62.242 62.300 0.004 0.000 1.067 436 V CB 0.762 32.603 31.823 0.031 0.000 0.967 436 V HN 0.872 nan 8.190 nan 0.000 0.479 437 D N 5.142 125.544 120.400 0.002 0.000 2.441 437 D HA 0.110 4.750 4.640 -0.000 0.000 0.243 437 D C 0.134 176.458 176.300 0.039 0.000 1.257 437 D CA 0.122 54.130 54.000 0.012 0.000 1.027 437 D CB -0.026 40.778 40.800 0.006 0.000 1.084 437 D HN 0.863 nan 8.370 nan 0.000 0.514 438 N N 0.587 119.327 118.700 0.066 0.000 3.439 438 N HA 0.196 4.936 4.740 -0.000 0.000 0.343 438 N C 0.820 176.397 175.510 0.112 0.000 1.597 438 N CA -0.580 52.517 53.050 0.079 0.000 0.733 438 N CB 0.342 38.875 38.487 0.077 0.000 1.973 438 N HN -0.255 nan 8.380 nan 0.000 0.646 439 E N 0.131 120.397 120.200 0.111 0.000 2.097 439 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 439 E C 1.579 178.297 176.600 0.198 0.000 1.000 439 E CA 1.450 57.928 56.400 0.130 0.000 0.804 439 E CB -0.584 29.182 29.700 0.110 0.000 0.740 439 E HN 0.503 nan 8.360 nan 0.000 0.454 440 L N -0.165 121.194 121.223 0.227 0.000 2.129 440 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 440 L C 2.139 179.318 176.870 0.514 0.000 1.087 440 L CA 0.833 55.872 54.840 0.331 0.000 0.757 440 L CB -0.420 41.818 42.059 0.299 0.000 0.896 440 L HN 0.087 nan 8.230 nan 0.000 0.434 441 V N -1.089 119.052 119.914 0.378 0.000 2.599 441 V HA -0.044 4.076 4.120 -0.000 0.000 0.245 441 V C 2.266 178.597 176.094 0.394 0.000 1.046 441 V CA 0.968 63.488 62.300 0.366 0.000 1.065 441 V CB -0.337 31.535 31.823 0.082 0.000 0.703 441 V HN 0.352 nan 8.190 nan 0.000 0.464 442 R N 0.541 121.182 120.500 0.235 0.000 2.313 442 R HA 0.128 4.468 4.340 -0.000 0.000 0.199 442 R C 0.913 177.276 176.300 0.104 0.000 0.958 442 R CA -0.136 56.052 56.100 0.147 0.000 1.047 442 R CB -0.488 29.869 30.300 0.095 0.000 0.955 442 R HN 0.622 nan 8.270 nan 0.000 0.481 443 E N 1.888 122.171 120.200 0.140 0.000 2.467 443 E HA -0.117 4.233 4.350 -0.000 0.000 0.264 443 E C -0.083 176.478 176.600 -0.064 0.000 1.020 443 E CA 0.236 56.673 56.400 0.062 0.000 0.945 443 E CB 0.622 30.392 29.700 0.117 0.000 0.942 443 E HN -0.052 nan 8.360 nan 0.000 0.449 444 E N 2.397 122.552 120.200 -0.075 0.000 2.313 444 E HA 0.188 4.538 4.350 -0.000 0.000 0.272 444 E C -0.243 176.207 176.600 -0.249 0.000 1.038 444 E CA 0.392 56.696 56.400 -0.159 0.000 0.863 444 E CB 1.106 30.725 29.700 -0.134 0.000 1.060 444 E HN 0.759 nan 8.360 nan 0.000 0.402 445 G N 2.567 111.117 108.800 -0.416 0.000 2.351 445 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.297 445 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.297 445 G C -0.128 174.590 174.900 -0.302 0.000 1.054 445 G CA 0.513 45.189 45.100 -0.706 0.000 1.123 445 G HN 0.410 nan 8.290 nan 0.000 0.512 446 V N -0.461 119.292 119.914 -0.269 0.000 3.302 446 V HA 0.801 4.921 4.120 -0.000 0.000 0.304 446 V C 1.241 177.118 176.094 -0.362 0.000 1.209 446 V CA 0.293 62.168 62.300 -0.707 0.000 1.032 446 V CB 2.085 32.919 31.823 -1.648 0.000 1.219 446 V HN 0.477 nan 8.190 nan 0.000 0.469 447 S N 1.306 116.629 115.700 -0.628 0.000 2.583 447 S HA 0.271 4.741 4.470 -0.000 0.000 0.239 447 S C -0.861 173.962 174.600 0.371 0.000 0.966 447 S CA -0.210 57.987 58.200 -0.005 0.000 0.973 447 S CB -0.470 62.977 63.200 0.412 0.000 0.794 447 S HN 0.634 nan 8.310 nan 0.000 0.463 448 W N -0.227 121.188 121.300 0.191 0.000 3.066 448 W HA 0.702 5.362 4.660 0.000 0.000 0.330 448 W C -1.415 175.164 176.519 0.100 0.000 1.253 448 W CA -1.443 56.010 57.345 0.181 0.000 1.187 448 W CB 0.385 29.931 29.460 0.144 0.000 1.434 448 W HN -0.105 nan 8.180 nan 0.000 0.572 449 V N -0.468 119.660 119.914 0.357 0.000 2.914 449 V HA 0.807 4.926 4.120 -0.000 0.000 0.314 449 V C -0.884 175.327 176.094 0.195 0.000 1.084 449 V CA -1.440 60.985 62.300 0.208 0.000 0.963 449 V CB 1.263 33.153 31.823 0.113 0.000 1.025 449 V HN 0.647 nan 8.190 nan 0.000 0.432 450 V N 3.771 123.765 119.914 0.132 0.000 2.405 450 V HA 0.373 4.493 4.120 -0.000 0.000 0.264 450 V C 1.609 177.729 176.094 0.043 0.000 1.048 450 V CA 1.048 63.391 62.300 0.072 0.000 0.966 450 V CB 0.205 32.060 31.823 0.055 0.000 1.015 450 V HN 1.211 nan 8.190 nan 0.000 0.477 451 G N 4.920 113.737 108.800 0.029 0.000 2.404 451 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.215 451 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.215 451 G C 0.418 175.324 174.900 0.010 0.000 1.174 451 G CA 0.879 45.992 45.100 0.022 0.000 0.780 451 G HN 0.798 nan 8.290 nan 0.000 0.537 452 E N -2.509 117.692 120.200 0.001 0.000 2.423 452 E HA 0.605 4.955 4.350 -0.000 0.000 0.280 452 E C -1.538 175.057 176.600 -0.008 0.000 1.030 452 E CA -0.887 55.511 56.400 -0.002 0.000 0.812 452 E CB 1.595 31.294 29.700 -0.003 0.000 1.313 452 E HN 0.086 nan 8.360 nan 0.000 0.456 453 S N -0.106 115.590 115.700 -0.006 0.000 2.597 453 S HA 0.278 4.748 4.470 -0.000 0.000 0.274 453 S C -1.684 172.913 174.600 -0.003 0.000 1.132 453 S CA -0.523 57.672 58.200 -0.008 0.000 0.835 453 S CB 1.355 64.552 63.200 -0.006 0.000 1.092 453 S HN 0.596 nan 8.310 nan 0.000 0.457 454 D N 1.826 122.224 120.400 -0.004 0.000 2.599 454 D HA 0.290 4.930 4.640 -0.000 0.000 0.249 454 D C 0.019 176.320 176.300 0.001 0.000 1.313 454 D CA -0.253 53.747 54.000 -0.001 0.000 0.815 454 D CB 0.142 40.941 40.800 -0.002 0.000 1.077 454 D HN 0.569 nan 8.370 nan 0.000 0.492 455 N N 0.602 119.303 118.700 0.002 0.000 2.936 455 N HA -0.218 4.522 4.740 -0.000 0.000 0.236 455 N C 1.272 176.785 175.510 0.006 0.000 0.930 455 N CA 1.701 54.755 53.050 0.006 0.000 0.966 455 N CB -0.708 37.783 38.487 0.007 0.000 1.090 455 N HN 0.404 nan 8.380 nan 0.000 0.592 456 Q N -0.602 119.198 119.800 0.002 0.000 2.581 456 Q HA 0.249 4.588 4.340 -0.000 0.000 0.222 456 Q C 0.775 176.773 176.000 -0.003 0.000 0.904 456 Q CA 1.241 57.045 55.803 0.001 0.000 0.923 456 Q CB -0.068 28.671 28.738 0.001 0.000 1.117 456 Q HN 0.386 nan 8.270 nan 0.000 0.618 457 T N -1.681 112.867 114.554 -0.010 0.000 2.921 457 T HA 0.891 5.241 4.350 -0.000 0.000 0.297 457 T C -0.859 173.824 174.700 -0.029 0.000 1.013 457 T CA -0.368 61.720 62.100 -0.020 0.000 0.990 457 T CB 1.881 70.739 68.868 -0.018 0.000 1.023 457 T HN 0.468 nan 8.240 nan 0.000 0.447 458 A N 2.113 124.903 122.820 -0.049 0.000 2.435 458 A HA 0.909 5.229 4.320 -0.000 0.000 0.296 458 A C -0.156 177.380 177.584 -0.081 0.000 1.147 458 A CA -0.985 51.019 52.037 -0.055 0.000 0.775 458 A CB 1.624 20.591 19.000 -0.054 0.000 1.340 458 A HN 0.859 nan 8.150 nan 0.000 0.427 459 T N 1.217 115.731 114.554 -0.066 0.000 2.779 459 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 459 T C -0.761 173.893 174.700 -0.077 0.000 0.987 459 T CA -0.125 61.932 62.100 -0.071 0.000 0.966 459 T CB 0.503 69.350 68.868 -0.036 0.000 0.933 459 T HN 0.345 nan 8.240 nan 0.000 0.442 460 L N 3.338 124.486 121.223 -0.125 0.000 2.360 460 L HA 0.607 4.947 4.340 -0.000 0.000 0.271 460 L C 0.546 177.417 176.870 0.002 0.000 1.057 460 L CA -0.333 54.446 54.840 -0.102 0.000 0.803 460 L CB 0.914 42.776 42.059 -0.328 0.000 1.207 460 L HN 0.465 nan 8.230 nan 0.000 0.445 461 R N 0.342 120.900 120.500 0.098 0.000 2.513 461 R HA 0.742 5.082 4.340 -0.000 0.000 0.301 461 R C -0.765 175.683 176.300 0.247 0.000 0.968 461 R CA -0.519 55.664 56.100 0.138 0.000 0.872 461 R CB 2.204 32.580 30.300 0.125 0.000 1.177 461 R HN 0.677 nan 8.270 nan 0.000 0.444 462 T N 1.261 115.957 114.554 0.237 0.000 2.731 462 T HA 0.303 4.653 4.350 -0.000 0.000 0.300 462 T C -1.474 173.284 174.700 0.097 0.000 1.283 462 T CA -0.665 61.628 62.100 0.321 0.000 1.005 462 T CB 1.296 70.413 68.868 0.416 0.000 1.420 462 T HN 0.323 nan 8.240 nan 0.000 0.503 463 L N 2.491 123.600 121.223 -0.191 0.000 2.361 463 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 463 L C 0.638 177.309 176.870 -0.332 0.000 1.113 463 L CA -0.051 54.409 54.840 -0.632 0.000 0.849 463 L CB 0.034 41.108 42.059 -1.642 0.000 1.155 463 L HN 0.873 nan 8.230 nan 0.000 0.452 464 G N 6.456 115.084 108.800 -0.286 0.000 2.353 464 G HA2 0.538 4.498 3.960 -0.000 0.000 0.284 464 G HA3 0.538 4.498 3.960 -0.000 0.000 0.284 464 G C -0.599 174.235 174.900 -0.111 0.000 1.172 464 G CA -0.481 44.543 45.100 -0.126 0.000 0.854 464 G HN 0.660 nan 8.290 nan 0.000 0.485 465 I N 2.268 122.839 120.570 0.001 0.000 2.439 465 I HA 0.414 4.584 4.170 -0.000 0.000 0.283 465 I C -0.023 176.167 176.117 0.122 0.000 1.023 465 I CA -0.607 60.727 61.300 0.056 0.000 1.100 465 I CB 2.247 40.315 38.000 0.113 0.000 1.238 465 I HN 0.605 nan 8.210 nan 0.000 0.445 466 T N 2.865 117.450 114.554 0.052 0.000 2.883 466 T HA 0.631 4.981 4.350 -0.000 0.000 0.301 466 T C -0.343 174.292 174.700 -0.109 0.000 1.158 466 T CA -0.809 61.273 62.100 -0.030 0.000 1.007 466 T CB 1.634 70.466 68.868 -0.059 0.000 1.186 466 T HN 0.264 nan 8.240 nan 0.000 0.499 467 I N 2.203 122.593 120.570 -0.300 0.000 2.618 467 I HA 0.362 4.531 4.170 -0.000 0.000 0.284 467 I C 1.409 177.420 176.117 -0.176 0.000 1.146 467 I CA -0.464 60.673 61.300 -0.272 0.000 1.425 467 I CB 0.405 38.175 38.000 -0.383 0.000 1.383 467 I HN 0.973 nan 8.210 nan 0.000 0.562 468 A N 7.426 130.152 122.820 -0.158 0.000 2.580 468 A HA -0.040 4.280 4.320 -0.000 0.000 0.244 468 A C 1.757 179.264 177.584 -0.128 0.000 1.045 468 A CA 0.018 51.965 52.037 -0.151 0.000 0.761 468 A CB 0.025 18.919 19.000 -0.178 0.000 0.962 468 A HN 0.985 nan 8.150 nan 0.000 0.512 469 R N 2.019 122.451 120.500 -0.114 0.000 2.119 469 R HA -0.252 4.088 4.340 -0.000 0.000 0.246 469 R C 1.003 177.240 176.300 -0.105 0.000 1.146 469 R CA 2.183 58.222 56.100 -0.102 0.000 0.962 469 R CB -0.460 29.789 30.300 -0.085 0.000 0.863 469 R HN 0.733 nan 8.270 nan 0.000 0.442 470 E N 0.575 120.708 120.200 -0.111 0.000 2.077 470 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 470 E C 2.063 178.582 176.600 -0.136 0.000 0.989 470 E CA 2.078 58.403 56.400 -0.125 0.000 0.800 470 E CB -0.225 29.398 29.700 -0.128 0.000 0.746 470 E HN 0.406 nan 8.360 nan 0.000 0.452 471 T N 0.561 115.055 114.554 -0.101 0.000 2.777 471 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 471 T C 1.789 176.458 174.700 -0.052 0.000 1.040 471 T CA 1.416 63.487 62.100 -0.048 0.000 1.141 471 T CB -0.136 68.729 68.868 -0.004 0.000 0.868 471 T HN 0.100 nan 8.240 nan 0.000 0.444 472 K N 1.068 121.419 120.400 -0.081 0.000 2.057 472 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 472 K C 2.481 179.034 176.600 -0.078 0.000 1.049 472 K CA 1.202 57.442 56.287 -0.078 0.000 0.931 472 K CB -0.317 32.118 32.500 -0.109 0.000 0.714 472 K HN 0.262 nan 8.250 nan 0.000 0.440 473 A N 1.071 123.828 122.820 -0.106 0.000 1.877 473 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 473 A C 2.354 179.837 177.584 -0.168 0.000 1.186 473 A CA 1.957 53.924 52.037 -0.116 0.000 0.620 473 A CB -0.938 17.991 19.000 -0.119 0.000 0.822 473 A HN 0.491 nan 8.150 nan 0.000 0.443 474 A N -0.420 122.234 122.820 -0.277 0.000 1.933 474 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 474 A C 2.147 179.471 177.584 -0.434 0.000 1.175 474 A CA 1.445 53.146 52.037 -0.560 0.000 0.628 474 A CB -0.591 17.783 19.000 -1.044 0.000 0.814 474 A HN 0.482 nan 8.150 nan 0.000 0.444 475 L N -0.955 120.215 121.223 -0.087 0.000 2.083 475 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 475 L C 2.129 179.061 176.870 0.104 0.000 1.083 475 L CA 1.078 56.030 54.840 0.186 0.000 0.752 475 L CB -0.308 41.850 42.059 0.165 0.000 0.899 475 L HN 0.389 nan 8.230 nan 0.000 0.433 476 L N -1.815 119.419 121.223 0.019 0.000 2.554 476 L HA 0.146 4.486 4.340 -0.000 0.000 0.225 476 L C 2.636 179.505 176.870 -0.002 0.000 1.104 476 L CA 0.222 55.076 54.840 0.023 0.000 0.866 476 L CB -0.522 41.543 42.059 0.010 0.000 1.047 476 L HN 0.108 nan 8.230 nan 0.000 0.468 477 A N 1.470 124.261 122.820 -0.048 0.000 1.882 477 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 477 A C 1.668 179.237 177.584 -0.024 0.000 1.253 477 A CA 2.334 54.334 52.037 -0.061 0.000 0.664 477 A CB -0.543 18.383 19.000 -0.124 0.000 0.838 477 A HN 0.526 nan 8.150 nan 0.000 0.460 478 N N -0.161 118.537 118.700 -0.003 0.000 2.275 478 N HA 0.194 4.934 4.740 -0.000 0.000 0.236 478 N C 0.306 175.839 175.510 0.038 0.000 1.154 478 N CA 0.587 53.646 53.050 0.015 0.000 0.866 478 N CB 0.592 39.088 38.487 0.015 0.000 1.093 478 N HN 0.445 nan 8.380 nan 0.000 0.515 479 G N 0.173 109.002 108.800 0.050 0.000 2.395 479 G HA2 0.169 4.129 3.960 -0.000 0.000 0.283 479 G HA3 0.169 4.129 3.960 -0.000 0.000 0.283 479 G C -0.072 174.862 174.900 0.058 0.000 1.178 479 G CA -0.146 44.996 45.100 0.071 0.000 0.837 479 G HN 0.043 nan 8.290 nan 0.000 0.518 480 S N -0.057 115.681 115.700 0.064 0.000 2.549 480 S HA 0.337 4.807 4.470 -0.000 0.000 0.279 480 S C 0.180 174.812 174.600 0.054 0.000 1.321 480 S CA -0.545 57.685 58.200 0.051 0.000 1.054 480 S CB 0.559 63.789 63.200 0.050 0.000 0.899 480 S HN 0.439 nan 8.310 nan 0.000 0.497 481 V N 5.132 125.071 119.914 0.041 0.000 2.398 481 V HA 0.477 4.597 4.120 -0.000 0.000 0.286 481 V C -0.033 176.080 176.094 0.032 0.000 1.026 481 V CA -0.566 61.758 62.300 0.039 0.000 0.868 481 V CB 1.567 33.408 31.823 0.031 0.000 0.982 481 V HN 0.956 nan 8.190 nan 0.000 0.443 482 T N 4.429 119.003 114.554 0.033 0.000 2.930 482 T HA 0.648 4.998 4.350 -0.000 0.000 0.313 482 T C 0.024 174.731 174.700 0.012 0.000 1.019 482 T CA -0.224 61.891 62.100 0.024 0.000 1.004 482 T CB 1.378 70.264 68.868 0.031 0.000 0.987 482 T HN 0.895 nan 8.240 nan 0.000 0.456 483 A N 3.098 125.917 122.820 -0.002 0.000 2.279 483 A HA 0.772 5.092 4.320 -0.000 0.000 0.303 483 A C 0.047 177.593 177.584 -0.063 0.000 1.108 483 A CA -0.624 51.400 52.037 -0.022 0.000 0.830 483 A CB 0.600 19.598 19.000 -0.005 0.000 1.106 483 A HN 0.605 nan 8.150 nan 0.000 0.493 484 E N 0.953 121.088 120.200 -0.108 0.000 2.207 484 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 484 E C -0.646 175.935 176.600 -0.032 0.000 0.927 484 E CA -0.641 55.672 56.400 -0.145 0.000 0.799 484 E CB 1.386 30.854 29.700 -0.387 0.000 1.172 484 E HN 0.632 nan 8.360 nan 0.000 0.404 485 E N 1.601 121.788 120.200 -0.021 0.000 2.392 485 E HA 0.027 4.377 4.350 -0.000 0.000 0.264 485 E C -0.456 176.141 176.600 -0.004 0.000 1.024 485 E CA -0.049 56.343 56.400 -0.013 0.000 0.903 485 E CB 0.585 30.268 29.700 -0.029 0.000 0.963 485 E HN 0.277 nan 8.360 nan 0.000 0.432 486 D N 2.029 122.433 120.400 0.006 0.000 2.506 486 D HA -0.020 4.620 4.640 -0.000 0.000 0.234 486 D C 0.530 176.800 176.300 -0.050 0.000 1.143 486 D CA 0.906 54.916 54.000 0.018 0.000 0.871 486 D CB 0.685 41.491 40.800 0.010 0.000 1.190 486 D HN 0.268 nan 8.370 nan 0.000 0.459 487 R N 0.074 120.536 120.500 -0.062 0.000 2.740 487 R HA 0.468 4.808 4.340 -0.000 0.000 0.273 487 R C -1.449 174.814 176.300 -0.062 0.000 0.998 487 R CA -0.583 55.414 56.100 -0.173 0.000 0.900 487 R CB 1.674 31.635 30.300 -0.564 0.000 1.223 487 R HN 0.334 nan 8.270 nan 0.000 0.466 488 T N 3.759 118.253 114.554 -0.100 0.000 2.861 488 T HA 0.514 4.864 4.350 -0.000 0.000 0.287 488 T C -0.895 173.735 174.700 -0.117 0.000 1.003 488 T CA -0.566 61.471 62.100 -0.105 0.000 0.977 488 T CB 1.145 69.949 68.868 -0.106 0.000 0.996 488 T HN 0.315 nan 8.240 nan 0.000 0.448 489 L N 2.763 123.882 121.223 -0.175 0.000 2.385 489 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 489 L C 0.677 177.350 176.870 -0.328 0.000 0.990 489 L CA -0.590 54.130 54.840 -0.200 0.000 0.821 489 L CB 2.249 44.220 42.059 -0.146 0.000 1.279 489 L HN 0.696 nan 8.230 nan 0.000 0.412 490 Q N 0.055 119.796 119.800 -0.099 0.000 2.586 490 Q HA 0.114 4.454 4.340 -0.000 0.000 0.243 490 Q C 0.604 176.707 176.000 0.172 0.000 0.846 490 Q CA 0.034 55.843 55.803 0.009 0.000 0.959 490 Q CB 0.983 29.720 28.738 -0.002 0.000 1.227 490 Q HN 0.667 nan 8.270 nan 0.000 0.611 491 T N 0.364 114.987 114.554 0.116 0.000 2.882 491 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 491 T C -0.168 174.616 174.700 0.140 0.000 1.014 491 T CA -0.245 61.914 62.100 0.099 0.000 1.049 491 T CB 0.930 69.827 68.868 0.049 0.000 1.001 491 T HN 0.251 nan 8.240 nan 0.000 0.525 492 A N 1.964 124.810 122.820 0.044 0.000 2.511 492 A HA 0.621 4.941 4.320 -0.000 0.000 0.242 492 A C 0.452 178.064 177.584 0.048 0.000 1.069 492 A CA 0.162 52.193 52.037 -0.010 0.000 0.763 492 A CB -0.844 18.131 19.000 -0.041 0.000 1.001 492 A HN 1.587 nan 8.150 nan 0.000 0.498 493 A N 1.515 124.374 122.820 0.064 0.000 2.583 493 A HA 0.587 4.907 4.320 -0.000 0.000 0.292 493 A C -1.360 176.334 177.584 0.183 0.000 1.045 493 A CA -0.362 51.742 52.037 0.112 0.000 0.672 493 A CB 0.832 19.892 19.000 0.099 0.000 1.283 493 A HN 1.487 nan 8.150 nan 0.000 0.419 494 V N 1.349 121.382 119.914 0.198 0.000 2.380 494 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 494 V C -0.738 175.479 176.094 0.205 0.000 1.015 494 V CA -0.484 61.966 62.300 0.251 0.000 0.834 494 V CB 1.345 33.301 31.823 0.222 0.000 1.009 494 V HN 0.785 nan 8.190 nan 0.000 0.428 495 V N 7.656 127.725 119.914 0.260 0.000 2.357 495 V HA 0.417 4.537 4.120 -0.000 0.000 0.284 495 V C -2.064 174.241 176.094 0.352 0.000 1.018 495 V CA -1.936 60.525 62.300 0.267 0.000 0.841 495 V CB 1.973 33.939 31.823 0.239 0.000 0.991 495 V HN 0.659 nan 8.190 nan 0.000 0.437 496 P HA 0.130 nan 4.420 nan 0.000 0.268 496 P C -0.331 177.191 177.300 0.370 0.000 1.205 496 P CA -0.191 63.042 63.100 0.223 0.000 0.771 496 P CB 0.620 32.396 31.700 0.127 0.000 0.858 497 F N 1.484 121.457 119.950 0.038 0.000 2.535 497 F HA 0.093 4.620 4.527 0.000 0.000 0.332 497 F C 2.083 177.909 175.800 0.043 0.000 1.208 497 F CA -0.333 57.685 58.000 0.031 0.000 1.330 497 F CB -0.790 38.157 39.000 -0.088 0.000 1.167 497 F HN 0.427 nan 8.300 nan 0.000 0.597 498 A N 1.005 123.940 122.820 0.191 0.000 1.930 498 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 498 A C 0.725 178.367 177.584 0.097 0.000 1.175 498 A CA 1.273 53.374 52.037 0.107 0.000 0.627 498 A CB -0.384 18.649 19.000 0.054 0.000 0.815 498 A HN 0.677 nan 8.150 nan 0.000 0.443 499 Q N -0.004 119.865 119.800 0.114 0.000 2.309 499 Q HA 0.441 4.781 4.340 -0.000 0.000 0.254 499 Q C -1.493 174.555 176.000 0.080 0.000 0.938 499 Q CA -0.291 55.558 55.803 0.076 0.000 0.789 499 Q CB 1.468 30.235 28.738 0.049 0.000 1.313 499 Q HN 0.318 nan 8.270 nan 0.000 0.438 500 S N 3.970 119.686 115.700 0.026 0.000 2.646 500 S HA 0.573 5.043 4.470 -0.000 0.000 0.276 500 S C -2.244 172.301 174.600 -0.092 0.000 1.222 500 S CA -0.868 57.290 58.200 -0.071 0.000 1.014 500 S CB 0.979 64.103 63.200 -0.127 0.000 0.991 500 S HN 0.573 nan 8.310 nan 0.000 0.533 501 P HA 0.154 nan 4.420 nan 0.000 0.272 501 P C -0.169 177.097 177.300 -0.057 0.000 1.240 501 P CA -0.290 62.739 63.100 -0.118 0.000 0.791 501 P CB 0.598 32.164 31.700 -0.224 0.000 0.978 502 S N -1.435 114.272 115.700 0.011 0.000 2.602 502 S HA 0.259 4.729 4.470 -0.000 0.000 0.240 502 S C 0.474 175.119 174.600 0.075 0.000 0.992 502 S CA -0.283 57.937 58.200 0.033 0.000 0.971 502 S CB -0.637 62.585 63.200 0.037 0.000 0.855 502 S HN 0.629 nan 8.310 nan 0.000 0.481 503 S N 0.555 116.324 115.700 0.114 0.000 2.685 503 S HA 0.561 5.031 4.470 -0.000 0.000 0.282 503 S C -0.706 174.003 174.600 0.182 0.000 1.159 503 S CA -1.042 57.269 58.200 0.186 0.000 0.833 503 S CB 1.209 64.599 63.200 0.317 0.000 1.151 503 S HN 0.158 nan 8.310 nan 0.000 0.485 504 K N 0.398 120.817 120.400 0.032 0.000 2.811 504 K HA 0.320 4.640 4.320 -0.000 0.000 0.217 504 K C -1.443 174.869 176.600 -0.481 0.000 1.115 504 K CA 0.072 56.282 56.287 -0.129 0.000 1.179 504 K CB -0.324 32.021 32.500 -0.258 0.000 0.994 504 K HN 0.474 nan 8.250 nan 0.000 0.464 505 F N 1.774 121.861 119.950 0.228 0.000 2.646 505 F HA 0.353 4.880 4.527 -0.000 0.000 0.364 505 F C -0.447 175.482 175.800 0.215 0.000 1.137 505 F CA -1.295 56.768 58.000 0.105 0.000 1.085 505 F CB 0.712 39.767 39.000 0.091 0.000 1.331 505 F HN -0.017 nan 8.300 nan 0.000 0.472 506 F N 0.117 120.153 119.950 0.143 0.000 2.773 506 F HA 0.839 5.366 4.527 -0.000 0.000 0.314 506 F C -2.168 173.679 175.800 0.078 0.000 1.160 506 F CA -1.575 56.486 58.000 0.102 0.000 0.920 506 F CB 1.085 40.116 39.000 0.052 0.000 1.323 506 F HN -0.103 nan 8.300 nan 0.000 0.457 507 V N 2.819 122.900 119.914 0.279 0.000 2.407 507 V HA 0.541 4.661 4.120 -0.000 0.000 0.291 507 V C -1.057 175.190 176.094 0.256 0.000 1.018 507 V CA -0.559 61.841 62.300 0.168 0.000 0.842 507 V CB 1.367 33.259 31.823 0.115 0.000 0.996 507 V HN 0.799 nan 8.190 nan 0.000 0.426 508 L N 6.334 127.696 121.223 0.231 0.000 2.282 508 L HA 0.866 5.206 4.340 -0.000 0.000 0.288 508 L C 0.260 177.169 176.870 0.065 0.000 1.033 508 L CA 0.501 55.427 54.840 0.144 0.000 0.807 508 L CB 1.756 43.875 42.059 0.099 0.000 1.209 508 L HN 0.831 nan 8.230 nan 0.000 0.423 509 T N 2.433 117.016 114.554 0.048 0.000 2.908 509 T HA 1.005 5.355 4.350 -0.000 0.000 0.290 509 T C -0.501 174.249 174.700 0.083 0.000 1.034 509 T CA -0.247 61.894 62.100 0.069 0.000 1.010 509 T CB 1.818 70.728 68.868 0.070 0.000 1.068 509 T HN 1.270 nan 8.240 nan 0.000 0.481 510 A N 1.546 124.456 122.820 0.151 0.000 2.569 510 A HA 0.633 4.953 4.320 -0.000 0.000 0.292 510 A C -1.824 175.905 177.584 0.242 0.000 1.032 510 A CA -1.089 51.102 52.037 0.256 0.000 0.669 510 A CB 1.211 20.489 19.000 0.464 0.000 1.290 510 A HN 0.822 nan 8.150 nan 0.000 0.422 511 Q N 0.451 120.383 119.800 0.220 0.000 2.321 511 Q HA 0.634 4.974 4.340 -0.000 0.000 0.270 511 Q C -1.681 174.329 176.000 0.017 0.000 1.032 511 Q CA -0.766 55.096 55.803 0.099 0.000 0.784 511 Q CB 2.368 31.134 28.738 0.046 0.000 1.264 511 Q HN 0.501 nan 8.270 nan 0.000 0.448 512 L N 2.353 123.490 121.223 -0.144 0.000 2.313 512 L HA 0.361 4.701 4.340 -0.000 0.000 0.283 512 L C -0.297 176.138 176.870 -0.724 0.000 1.013 512 L CA -0.050 54.478 54.840 -0.520 0.000 0.816 512 L CB 1.574 43.268 42.059 -0.609 0.000 1.236 512 L HN 0.529 nan 8.230 nan 0.000 0.419 513 E N 3.568 123.328 120.200 -0.732 0.000 2.145 513 E HA 0.526 4.876 4.350 -0.000 0.000 0.270 513 E C -1.338 174.905 176.600 -0.595 0.000 0.906 513 E CA -0.458 55.627 56.400 -0.526 0.000 0.761 513 E CB 1.514 31.055 29.700 -0.264 0.000 1.116 513 E HN 0.198 nan 8.360 nan 0.000 0.408 514 F N 3.057 122.989 119.950 -0.030 0.000 2.492 514 F HA 0.422 4.949 4.527 -0.000 0.000 0.327 514 F C -1.942 173.847 175.800 -0.019 0.000 1.079 514 F CA -2.622 55.389 58.000 0.018 0.000 0.967 514 F CB 1.023 40.156 39.000 0.222 0.000 1.169 514 F HN 0.259 nan 8.300 nan 0.000 0.472 515 P HA 0.241 nan 4.420 nan 0.000 0.282 515 P C -0.056 177.229 177.300 -0.024 0.000 1.249 515 P CA -0.282 62.840 63.100 0.037 0.000 0.806 515 P CB 1.634 33.341 31.700 0.012 0.000 0.984 516 A N 2.855 125.652 122.820 -0.038 0.000 1.997 516 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 516 A C 2.127 179.629 177.584 -0.137 0.000 1.172 516 A CA 2.475 54.465 52.037 -0.079 0.000 0.645 516 A CB -1.726 17.249 19.000 -0.041 0.000 0.813 516 A HN 0.686 nan 8.150 nan 0.000 0.454 517 S N -0.239 115.398 115.700 -0.105 0.000 2.469 517 S HA 0.117 4.587 4.470 -0.000 0.000 0.238 517 S C 1.838 176.331 174.600 -0.178 0.000 0.998 517 S CA 1.048 59.182 58.200 -0.110 0.000 0.957 517 S CB -0.497 62.665 63.200 -0.064 0.000 0.764 517 S HN 0.910 nan 8.310 nan 0.000 0.514 518 A N 2.014 124.675 122.820 -0.266 0.000 2.119 518 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 518 A C 2.299 179.394 177.584 -0.815 0.000 1.153 518 A CA 0.550 52.336 52.037 -0.419 0.000 0.692 518 A CB -0.443 18.349 19.000 -0.346 0.000 0.799 518 A HN 0.519 nan 8.150 nan 0.000 0.458 519 R N 0.525 120.506 120.500 -0.866 0.000 2.091 519 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 519 R C 1.976 178.107 176.300 -0.282 0.000 1.136 519 R CA 1.717 57.371 56.100 -0.744 0.000 0.959 519 R CB -0.363 29.717 30.300 -0.367 0.000 0.856 519 R HN 0.645 nan 8.270 nan 0.000 0.437 520 S N 0.035 115.616 115.700 -0.198 0.000 2.671 520 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 520 S C 0.557 175.111 174.600 -0.076 0.000 0.951 520 S CA -0.380 57.764 58.200 -0.094 0.000 0.932 520 S CB 0.068 63.226 63.200 -0.071 0.000 0.777 520 S HN 0.205 nan 8.310 nan 0.000 0.508 521 S N 0.754 116.395 115.700 -0.099 0.000 2.681 521 S HA 0.623 5.093 4.470 -0.000 0.000 0.299 521 S C -2.828 171.765 174.600 -0.013 0.000 1.113 521 S CA -1.504 56.663 58.200 -0.055 0.000 1.013 521 S CB 1.188 64.350 63.200 -0.064 0.000 1.076 521 S HN 0.014 nan 8.310 nan 0.000 0.534 522 P HA 0.219 nan 4.420 nan 0.000 0.255 522 P C 0.216 177.496 177.300 -0.034 0.000 1.357 522 P CA -0.340 62.748 63.100 -0.021 0.000 0.839 522 P CB -0.198 31.481 31.700 -0.036 0.000 1.356 523 L N 0.518 121.738 121.223 -0.004 0.000 2.543 523 L HA -0.044 4.296 4.340 -0.000 0.000 0.285 523 L C -0.200 176.649 176.870 -0.034 0.000 1.236 523 L CA 0.935 55.767 54.840 -0.012 0.000 0.871 523 L CB 0.165 42.284 42.059 0.099 0.000 1.121 523 L HN 0.084 nan 8.230 nan 0.000 0.501 524 Q N 4.100 123.829 119.800 -0.118 0.000 2.275 524 Q HA 0.418 4.758 4.340 -0.000 0.000 0.258 524 Q C -1.562 174.371 176.000 -0.111 0.000 0.960 524 Q CA -0.558 55.184 55.803 -0.102 0.000 0.801 524 Q CB 2.162 30.717 28.738 -0.305 0.000 1.302 524 Q HN 0.675 nan 8.270 nan 0.000 0.433 525 S N 0.495 116.316 115.700 0.202 0.000 2.547 525 S HA 0.955 5.425 4.470 -0.000 0.000 0.281 525 S C -0.274 174.628 174.600 0.504 0.000 1.118 525 S CA -0.263 58.116 58.200 0.299 0.000 0.947 525 S CB 1.996 65.475 63.200 0.465 0.000 1.053 525 S HN 0.871 nan 8.310 nan 0.000 0.482 526 G N 1.309 110.421 108.800 0.520 0.000 2.623 526 G HA2 0.558 4.518 3.960 -0.000 0.000 0.085 526 G HA3 0.558 4.518 3.960 -0.000 0.000 0.085 526 G C -2.049 172.847 174.900 -0.006 0.000 1.116 526 G CA -0.421 44.935 45.100 0.426 0.000 1.200 526 G HN 0.509 nan 8.290 nan 0.000 0.556 527 F N 0.341 120.569 119.950 0.464 0.000 2.662 527 F HA 0.657 5.184 4.527 -0.000 0.000 0.312 527 F C -0.496 175.386 175.800 0.138 0.000 1.113 527 F CA -0.764 57.378 58.000 0.237 0.000 0.951 527 F CB 2.367 41.413 39.000 0.077 0.000 1.344 527 F HN 0.263 nan 8.300 nan 0.000 0.462 528 E N 2.398 122.739 120.200 0.235 0.000 2.210 528 E HA 0.694 5.044 4.350 -0.000 0.000 0.266 528 E C -1.151 175.457 176.600 0.014 0.000 0.883 528 E CA -0.709 55.739 56.400 0.080 0.000 0.761 528 E CB 2.925 32.639 29.700 0.023 0.000 1.156 528 E HN 0.578 nan 8.360 nan 0.000 0.412 529 I N -1.303 119.280 120.570 0.022 0.000 3.145 529 I HA 0.441 4.611 4.170 -0.000 0.000 0.313 529 I C -0.096 176.044 176.117 0.039 0.000 1.122 529 I CA -1.270 60.036 61.300 0.009 0.000 0.987 529 I CB 1.419 39.492 38.000 0.122 0.000 1.236 529 I HN 0.570 nan 8.210 nan 0.000 0.453 530 L N 0.575 121.837 121.223 0.065 0.000 3.660 530 L HA -0.221 4.119 4.340 -0.000 0.000 0.440 530 L C 0.111 177.013 176.870 0.053 0.000 1.262 530 L CA 0.590 55.478 54.840 0.080 0.000 0.837 530 L CB -1.648 40.467 42.059 0.093 0.000 1.689 530 L HN 0.884 nan 8.230 nan 0.000 0.890 531 A N -0.139 122.689 122.820 0.013 0.000 2.337 531 A HA 0.935 5.255 4.320 -0.000 0.000 0.331 531 A C 0.268 177.859 177.584 0.012 0.000 1.137 531 A CA 0.425 52.470 52.037 0.014 0.000 0.807 531 A CB 1.815 20.809 19.000 -0.011 0.000 1.250 531 A HN 0.489 nan 8.150 nan 0.000 0.468 532 S N -0.305 115.407 115.700 0.019 0.000 2.843 532 S HA 0.381 4.851 4.470 -0.000 0.000 0.301 532 S C 0.671 175.265 174.600 -0.010 0.000 1.206 532 S CA 0.244 58.443 58.200 -0.002 0.000 0.875 532 S CB 0.611 63.806 63.200 -0.008 0.000 1.248 532 S HN 0.735 nan 8.310 nan 0.000 0.555 533 E N -0.179 119.998 120.200 -0.039 0.000 2.106 533 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 533 E C 1.187 177.775 176.600 -0.021 0.000 0.984 533 E CA 1.026 57.406 56.400 -0.033 0.000 0.806 533 E CB -0.251 29.419 29.700 -0.051 0.000 0.750 533 E HN 0.616 nan 8.360 nan 0.000 0.458 534 L N 0.327 121.532 121.223 -0.030 0.000 2.607 534 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 534 L C 0.101 177.031 176.870 0.102 0.000 1.123 534 L CA 0.112 54.971 54.840 0.031 0.000 0.890 534 L CB 0.218 42.296 42.059 0.032 0.000 1.103 534 L HN -0.027 nan 8.230 nan 0.000 0.468 535 E N 0.352 120.608 120.200 0.094 0.000 2.412 535 E HA 0.649 4.999 4.350 -0.000 0.000 0.279 535 E C -1.106 175.532 176.600 0.064 0.000 0.984 535 E CA -0.945 55.520 56.400 0.109 0.000 0.788 535 E CB 2.518 32.333 29.700 0.191 0.000 1.277 535 E HN 0.039 nan 8.360 nan 0.000 0.455 536 R N -0.893 119.635 120.500 0.047 0.000 2.833 536 R HA 0.461 4.801 4.340 -0.000 0.000 0.259 536 R C -1.923 174.384 176.300 0.011 0.000 1.047 536 R CA -0.639 55.475 56.100 0.023 0.000 0.916 536 R CB 0.982 31.283 30.300 0.002 0.000 1.259 536 R HN 0.347 nan 8.270 nan 0.000 0.482 537 T N 1.481 116.041 114.554 0.010 0.000 2.840 537 T HA 0.797 5.146 4.350 -0.000 0.000 0.287 537 T C -0.881 173.826 174.700 0.011 0.000 0.991 537 T CA -0.249 61.853 62.100 0.003 0.000 0.964 537 T CB 1.560 70.433 68.868 0.009 0.000 0.954 537 T HN 0.784 nan 8.240 nan 0.000 0.438 538 A N 3.957 126.777 122.820 -0.000 0.000 2.305 538 A HA 0.851 5.171 4.320 -0.000 0.000 0.322 538 A C -0.417 177.204 177.584 0.062 0.000 1.187 538 A CA -0.668 51.387 52.037 0.030 0.000 0.825 538 A CB 0.260 19.241 19.000 -0.032 0.000 1.164 538 A HN 0.875 nan 8.150 nan 0.000 0.498 539 I N 3.415 124.084 120.570 0.166 0.000 2.439 539 I HA 0.464 4.634 4.170 -0.000 0.000 0.283 539 I C -1.108 175.196 176.117 0.313 0.000 1.023 539 I CA -0.498 60.881 61.300 0.131 0.000 1.100 539 I CB 1.208 39.325 38.000 0.195 0.000 1.238 539 I HN 0.791 nan 8.210 nan 0.000 0.445 540 Y N 4.518 124.950 120.300 0.219 0.000 2.597 540 Y HA 0.588 5.138 4.550 -0.000 0.000 0.340 540 Y C -1.615 174.391 175.900 0.177 0.000 1.097 540 Y CA -1.618 56.654 58.100 0.288 0.000 1.037 540 Y CB 0.876 39.584 38.460 0.413 0.000 1.305 540 Y HN 0.413 nan 8.280 nan 0.000 0.463 541 Y N 2.036 122.507 120.300 0.286 0.000 2.320 541 Y HA 0.548 5.098 4.550 0.000 0.000 0.324 541 Y C -0.507 175.394 175.900 0.003 0.000 1.190 541 Y CA -0.493 57.612 58.100 0.009 0.000 1.215 541 Y CB 1.582 39.990 38.460 -0.087 0.000 1.221 541 Y HN 0.820 nan 8.280 nan 0.000 0.486 542 Q N 4.608 123.868 119.800 -0.901 0.000 2.274 542 Q HA 0.271 4.611 4.340 -0.000 0.000 0.268 542 Q C -0.911 174.629 176.000 -0.767 0.000 1.015 542 Q CA -0.516 54.978 55.803 -0.515 0.000 0.775 542 Q CB 0.966 29.593 28.738 -0.184 0.000 1.256 542 Q HN 0.878 nan 8.270 nan 0.000 0.442 543 F N 0.594 120.355 119.950 -0.314 0.000 2.335 543 F HA -0.120 4.407 4.527 -0.000 0.000 0.296 543 F C 2.457 178.173 175.800 -0.141 0.000 1.091 543 F CA 1.313 59.207 58.000 -0.177 0.000 1.399 543 F CB 0.093 39.040 39.000 -0.088 0.000 1.067 543 F HN 0.667 nan 8.300 nan 0.000 0.520 544 S N 1.080 116.805 115.700 0.042 0.000 2.400 544 S HA -0.277 4.193 4.470 -0.000 0.000 0.234 544 S C 1.269 175.851 174.600 -0.031 0.000 1.049 544 S CA 1.819 60.022 58.200 0.005 0.000 1.039 544 S CB -0.797 62.394 63.200 -0.015 0.000 0.856 544 S HN 0.592 nan 8.310 nan 0.000 0.465 545 N N 0.105 118.745 118.700 -0.101 0.000 2.307 545 N HA 0.102 4.842 4.740 -0.000 0.000 0.248 545 N C -0.922 174.457 175.510 -0.218 0.000 1.322 545 N CA 0.018 52.985 53.050 -0.138 0.000 0.861 545 N CB -0.808 37.591 38.487 -0.147 0.000 1.303 545 N HN 0.529 nan 8.380 nan 0.000 0.498 546 E N 0.329 120.395 120.200 -0.223 0.000 2.160 546 E HA -0.185 4.165 4.350 -0.000 0.000 0.180 546 E C -1.014 175.313 176.600 -0.454 0.000 1.452 546 E CA 0.681 56.903 56.400 -0.295 0.000 0.683 546 E CB -1.336 28.386 29.700 0.037 0.000 1.072 546 E HN 0.434 nan 8.360 nan 0.000 0.332 547 S N 0.429 115.702 115.700 -0.711 0.000 2.569 547 S HA 0.573 5.043 4.470 -0.000 0.000 0.280 547 S C -0.285 173.933 174.600 -0.637 0.000 1.111 547 S CA -0.817 57.031 58.200 -0.587 0.000 0.887 547 S CB 1.644 64.587 63.200 -0.428 0.000 1.095 547 S HN 0.248 nan 8.310 nan 0.000 0.476 548 L N 2.430 123.385 121.223 -0.446 0.000 2.289 548 L HA 0.636 4.976 4.340 -0.000 0.000 0.285 548 L C -1.003 175.710 176.870 -0.262 0.000 1.049 548 L CA -0.551 54.117 54.840 -0.286 0.000 0.804 548 L CB 1.312 43.209 42.059 -0.270 0.000 1.195 548 L HN 0.346 nan 8.230 nan 0.000 0.428 549 V N 4.140 123.822 119.914 -0.385 0.000 2.680 549 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 549 V C -0.344 175.490 176.094 -0.434 0.000 1.052 549 V CA -0.688 61.333 62.300 -0.464 0.000 0.908 549 V CB 2.441 33.816 31.823 -0.748 0.000 1.001 549 V HN 0.368 nan 8.190 nan 0.000 0.431 550 V N 2.983 122.754 119.914 -0.239 0.000 2.349 550 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 550 V C -0.490 175.531 176.094 -0.121 0.000 1.014 550 V CA -0.480 61.731 62.300 -0.149 0.000 0.826 550 V CB 1.513 33.292 31.823 -0.074 0.000 1.009 550 V HN 0.906 nan 8.190 nan 0.000 0.431 551 D N 4.577 124.918 120.400 -0.098 0.000 2.347 551 D HA 0.283 4.923 4.640 -0.000 0.000 0.235 551 D C 0.683 176.958 176.300 -0.042 0.000 1.149 551 D CA -0.438 53.543 54.000 -0.031 0.000 0.850 551 D CB 1.120 41.955 40.800 0.058 0.000 1.061 551 D HN 0.471 nan 8.370 nan 0.000 0.487 552 R N 1.580 122.040 120.500 -0.066 0.000 2.507 552 R HA 0.065 4.405 4.340 -0.000 0.000 0.298 552 R C 1.973 178.229 176.300 -0.073 0.000 0.999 552 R CA -0.039 56.009 56.100 -0.087 0.000 1.082 552 R CB 0.326 30.533 30.300 -0.156 0.000 1.246 552 R HN 0.337 nan 8.270 nan 0.000 0.553 553 S N 0.815 116.489 115.700 -0.044 0.000 2.400 553 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 553 S C 1.578 176.162 174.600 -0.027 0.000 1.025 553 S CA 1.091 59.272 58.200 -0.031 0.000 0.993 553 S CB -0.036 63.158 63.200 -0.011 0.000 0.808 553 S HN 0.397 nan 8.310 nan 0.000 0.478 554 Q N -0.078 119.710 119.800 -0.020 0.000 2.179 554 Q HA 0.271 4.611 4.340 -0.000 0.000 0.213 554 Q C 1.198 177.202 176.000 0.008 0.000 0.833 554 Q CA 0.067 55.868 55.803 -0.005 0.000 0.990 554 Q CB 0.418 29.155 28.738 -0.002 0.000 1.132 554 Q HN 0.486 nan 8.270 nan 0.000 0.493 555 T N 0.168 114.717 114.554 -0.010 0.000 2.652 555 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 555 T C 0.903 175.630 174.700 0.045 0.000 1.039 555 T CA 1.274 63.377 62.100 0.003 0.000 1.153 555 T CB 0.030 68.874 68.868 -0.041 0.000 0.863 555 T HN 0.103 nan 8.240 nan 0.000 0.428 556 S N -0.393 115.324 115.700 0.028 0.000 2.498 556 S HA 0.619 5.089 4.470 -0.000 0.000 0.317 556 S C 0.926 175.561 174.600 0.058 0.000 1.090 556 S CA -0.407 57.840 58.200 0.078 0.000 1.089 556 S CB 1.297 64.520 63.200 0.039 0.000 0.997 556 S HN 0.319 nan 8.310 nan 0.000 0.470 557 A N 4.132 127.012 122.820 0.099 0.000 2.121 557 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 557 A C 1.948 179.463 177.584 -0.115 0.000 1.154 557 A CA 1.481 53.536 52.037 0.029 0.000 0.679 557 A CB -0.583 18.492 19.000 0.124 0.000 0.795 557 A HN 1.113 nan 8.150 nan 0.000 0.458 558 A N -0.812 121.933 122.820 -0.124 0.000 2.147 558 A HA 0.490 4.810 4.320 -0.000 0.000 0.211 558 A C 2.246 179.756 177.584 -0.123 0.000 1.160 558 A CA 1.103 53.014 52.037 -0.210 0.000 0.781 558 A CB -0.543 18.343 19.000 -0.190 0.000 0.842 558 A HN 0.823 nan 8.150 nan 0.000 0.475 559 A N 1.147 123.922 122.820 -0.076 0.000 1.940 559 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 559 A C 0.175 177.710 177.584 -0.081 0.000 1.176 559 A CA 1.821 53.809 52.037 -0.083 0.000 0.631 559 A CB -1.579 17.374 19.000 -0.078 0.000 0.814 559 A HN 0.421 nan 8.150 nan 0.000 0.446 560 P HA -0.144 nan 4.420 nan 0.000 0.216 560 P C 1.428 178.682 177.300 -0.075 0.000 1.153 560 P CA 2.173 65.234 63.100 -0.066 0.000 0.858 560 P CB -0.156 31.508 31.700 -0.061 0.000 0.789 561 T N -6.445 108.049 114.554 -0.099 0.000 3.069 561 T HA 0.190 4.540 4.350 -0.000 0.000 0.252 561 T C 0.340 174.977 174.700 -0.105 0.000 1.053 561 T CA -0.262 61.778 62.100 -0.101 0.000 0.964 561 T CB -0.745 68.051 68.868 -0.120 0.000 1.005 561 T HN -0.023 nan 8.240 nan 0.000 0.532 562 N N 2.640 121.275 118.700 -0.108 0.000 2.762 562 N HA 0.312 5.052 4.740 -0.000 0.000 0.252 562 N C -2.304 173.150 175.510 -0.094 0.000 1.269 562 N CA -1.588 51.395 53.050 -0.112 0.000 0.799 562 N CB 1.993 40.396 38.487 -0.140 0.000 1.173 562 N HN 0.063 nan 8.380 nan 0.000 0.516 563 P HA -0.120 nan 4.420 nan 0.000 0.226 563 P C 1.278 178.556 177.300 -0.037 0.000 1.146 563 P CA 0.800 63.871 63.100 -0.048 0.000 0.773 563 P CB 0.272 31.953 31.700 -0.032 0.000 0.772 564 G N 0.184 108.958 108.800 -0.044 0.000 2.448 564 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 564 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 564 G C 0.628 175.562 174.900 0.057 0.000 1.127 564 G CA 0.209 45.318 45.100 0.015 0.000 0.766 564 G HN 0.204 nan 8.290 nan 0.000 0.552 565 L N 3.291 124.484 121.223 -0.050 0.000 2.356 565 L HA 0.215 4.555 4.340 -0.000 0.000 0.282 565 L C -0.042 176.741 176.870 -0.144 0.000 1.132 565 L CA -1.150 53.625 54.840 -0.108 0.000 0.923 565 L CB 0.280 42.231 42.059 -0.180 0.000 1.278 565 L HN 0.234 nan 8.230 nan 0.000 0.436 566 D N 0.777 121.072 120.400 -0.174 0.000 2.472 566 D HA -0.037 4.603 4.640 -0.000 0.000 0.237 566 D C 0.652 176.728 176.300 -0.373 0.000 1.141 566 D CA 0.259 54.107 54.000 -0.252 0.000 0.875 566 D CB 0.945 41.547 40.800 -0.331 0.000 1.192 566 D HN 0.475 nan 8.370 nan 0.000 0.450 567 S N 0.077 115.576 115.700 -0.336 0.000 2.847 567 S HA 0.136 4.606 4.470 -0.000 0.000 0.254 567 S C 0.479 174.923 174.600 -0.259 0.000 1.039 567 S CA -0.910 57.118 58.200 -0.287 0.000 1.113 567 S CB -0.648 62.468 63.200 -0.140 0.000 1.092 567 S HN 0.445 nan 8.310 nan 0.000 0.620 568 F N 2.642 122.525 119.950 -0.112 0.000 2.539 568 F HA 0.596 5.123 4.527 -0.000 0.000 0.340 568 F C 0.378 176.128 175.800 -0.084 0.000 1.185 568 F CA -0.719 57.219 58.000 -0.103 0.000 1.333 568 F CB -0.898 38.014 39.000 -0.147 0.000 1.152 568 F HN -0.148 nan 8.300 nan 0.000 0.602 569 T N 2.593 117.278 114.554 0.218 0.000 2.916 569 T HA 0.135 4.485 4.350 -0.000 0.000 0.303 569 T C -0.134 174.696 174.700 0.216 0.000 1.025 569 T CA -0.357 61.816 62.100 0.122 0.000 1.142 569 T CB 0.229 69.141 68.868 0.074 0.000 0.947 569 T HN 0.515 nan 8.240 nan 0.000 0.544 570 E N 1.629 121.888 120.200 0.098 0.000 2.207 570 E HA 0.615 4.965 4.350 -0.000 0.000 0.270 570 E C -0.439 176.180 176.600 0.033 0.000 0.927 570 E CA -0.645 55.834 56.400 0.131 0.000 0.799 570 E CB 2.038 31.789 29.700 0.086 0.000 1.172 570 E HN 0.753 nan 8.360 nan 0.000 0.404 571 S N -0.096 115.628 115.700 0.040 0.000 2.578 571 S HA 0.753 5.223 4.470 -0.000 0.000 0.272 571 S C -0.655 173.887 174.600 -0.098 0.000 1.145 571 S CA -0.776 57.389 58.200 -0.058 0.000 0.835 571 S CB 1.744 64.871 63.200 -0.121 0.000 1.104 571 S HN 0.577 nan 8.310 nan 0.000 0.458 572 G N 0.933 109.562 108.800 -0.285 0.000 2.659 572 G HA2 0.623 4.583 3.960 -0.000 0.000 0.296 572 G HA3 0.623 4.583 3.960 -0.000 0.000 0.296 572 G C -1.578 172.703 174.900 -1.033 0.000 1.369 572 G CA -0.923 43.585 45.100 -0.985 0.000 0.937 572 G HN 0.589 nan 8.290 nan 0.000 0.485 573 K N 0.381 119.779 120.400 -1.670 0.000 2.249 573 K HA 0.465 4.785 4.320 -0.000 0.000 0.280 573 K C -1.077 175.432 176.600 -0.152 0.000 1.033 573 K CA -0.551 55.322 56.287 -0.690 0.000 0.946 573 K CB 1.970 34.148 32.500 -0.537 0.000 1.005 573 K HN 0.343 nan 8.250 nan 0.000 0.469 574 L N 2.541 123.750 121.223 -0.023 0.000 2.611 574 L HA 0.277 4.617 4.340 -0.000 0.000 0.263 574 L C -0.758 176.238 176.870 0.209 0.000 0.969 574 L CA -0.356 54.553 54.840 0.116 0.000 0.894 574 L CB 1.458 43.350 42.059 -0.279 0.000 1.229 574 L HN 0.598 nan 8.230 nan 0.000 0.416 575 R N 4.867 125.507 120.500 0.234 0.000 2.308 575 R HA 0.630 4.970 4.340 -0.000 0.000 0.305 575 R C -1.368 174.687 176.300 -0.407 0.000 1.053 575 R CA -0.471 55.601 56.100 -0.047 0.000 0.957 575 R CB 0.737 30.917 30.300 -0.201 0.000 1.022 575 R HN 0.773 nan 8.270 nan 0.000 0.461 576 L N 6.284 127.358 121.223 -0.247 0.000 2.264 576 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 576 L C -0.554 176.199 176.870 -0.195 0.000 1.039 576 L CA -0.653 54.065 54.840 -0.203 0.000 0.829 576 L CB 0.512 42.522 42.059 -0.082 0.000 1.211 576 L HN 0.582 nan 8.230 nan 0.000 0.427 577 F N 1.110 121.044 119.950 -0.028 0.000 2.440 577 F HA 0.094 4.621 4.527 -0.000 0.000 0.323 577 F C 1.079 176.874 175.800 -0.008 0.000 1.192 577 F CA -0.221 57.750 58.000 -0.048 0.000 1.252 577 F CB 0.323 39.234 39.000 -0.148 0.000 1.214 577 F HN 0.405 nan 8.300 nan 0.000 0.578 578 D N 1.336 121.867 120.400 0.218 0.000 2.308 578 D HA 0.405 5.045 4.640 -0.000 0.000 0.251 578 D C -0.265 176.091 176.300 0.095 0.000 1.127 578 D CA 0.223 54.295 54.000 0.120 0.000 0.876 578 D CB 1.356 42.211 40.800 0.092 0.000 1.176 578 D HN 0.330 nan 8.370 nan 0.000 0.446 579 V N -0.875 119.077 119.914 0.063 0.000 3.160 579 V HA 0.576 4.696 4.120 -0.000 0.000 0.310 579 V C -0.963 175.142 176.094 0.019 0.000 1.181 579 V CA -1.012 61.308 62.300 0.034 0.000 1.047 579 V CB 2.461 34.304 31.823 0.034 0.000 1.068 579 V HN 0.218 nan 8.190 nan 0.000 0.441 580 I N 1.616 122.191 120.570 0.007 0.000 2.354 580 I HA 0.523 4.693 4.170 -0.000 0.000 0.286 580 I C 0.680 176.797 176.117 0.001 0.000 1.007 580 I CA 0.141 61.443 61.300 0.004 0.000 1.167 580 I CB 0.793 38.793 38.000 -0.000 0.000 1.320 580 I HN 0.922 nan 8.210 nan 0.000 0.458 581 E N 3.697 123.898 120.200 0.002 0.000 2.206 581 E HA 0.140 4.490 4.350 -0.000 0.000 0.195 581 E C 0.074 176.673 176.600 -0.002 0.000 0.935 581 E CA 0.441 56.840 56.400 -0.001 0.000 0.875 581 E CB 0.586 30.285 29.700 -0.001 0.000 0.841 581 E HN 0.490 nan 8.360 nan 0.000 0.477 582 N N -0.242 118.457 118.700 -0.003 0.000 2.703 582 N HA 0.141 4.881 4.740 -0.000 0.000 0.283 582 N C -0.044 175.464 175.510 -0.003 0.000 1.851 582 N CA 0.513 53.561 53.050 -0.004 0.000 0.826 582 N CB 1.423 39.907 38.487 -0.005 0.000 1.239 582 N HN 0.272 nan 8.380 nan 0.000 0.495 583 G N 0.796 109.594 108.800 -0.003 0.000 2.270 583 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.268 583 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.268 583 G C 0.252 175.151 174.900 -0.001 0.000 0.982 583 G CA 0.758 45.857 45.100 -0.002 0.000 0.628 583 G HN 0.524 nan 8.290 nan 0.000 0.544 584 Q N 0.265 120.064 119.800 -0.002 0.000 2.226 584 Q HA 0.552 4.892 4.340 -0.000 0.000 0.256 584 Q C -0.463 175.538 176.000 0.002 0.000 0.962 584 Q CA -0.731 55.072 55.803 -0.001 0.000 0.887 584 Q CB 0.943 29.679 28.738 -0.003 0.000 1.282 584 Q HN 0.326 nan 8.270 nan 0.000 0.449 585 E N 2.514 122.717 120.200 0.004 0.000 2.227 585 E HA 0.149 4.499 4.350 -0.000 0.000 0.282 585 E C -1.386 175.221 176.600 0.011 0.000 1.015 585 E CA -0.133 56.273 56.400 0.010 0.000 0.823 585 E CB 1.128 30.835 29.700 0.012 0.000 1.081 585 E HN 0.665 nan 8.360 nan 0.000 0.396 586 Q N 1.027 120.838 119.800 0.018 0.000 2.501 586 Q HA 0.469 4.809 4.340 -0.000 0.000 0.288 586 Q C -1.338 174.687 176.000 0.041 0.000 1.051 586 Q CA -0.991 54.825 55.803 0.021 0.000 0.788 586 Q CB 1.374 30.119 28.738 0.010 0.000 1.469 586 Q HN 0.206 nan 8.270 nan 0.000 0.416 587 V N 1.886 121.833 119.914 0.055 0.000 2.555 587 V HA 0.048 4.168 4.120 -0.000 0.000 0.286 587 V C 0.395 176.538 176.094 0.082 0.000 1.044 587 V CA -0.090 62.266 62.300 0.093 0.000 1.026 587 V CB 0.883 32.798 31.823 0.153 0.000 0.981 587 V HN 0.879 nan 8.190 nan 0.000 0.480 588 E N 3.381 123.630 120.200 0.081 0.000 2.568 588 E HA -0.046 4.304 4.350 -0.000 0.000 0.262 588 E C -0.147 176.464 176.600 0.018 0.000 0.961 588 E CA -0.218 56.215 56.400 0.054 0.000 0.945 588 E CB 0.487 30.233 29.700 0.077 0.000 0.924 588 E HN 0.753 nan 8.360 nan 0.000 0.467 589 T N 4.840 119.388 114.554 -0.010 0.000 2.916 589 T HA 0.103 4.453 4.350 -0.000 0.000 0.303 589 T C -0.063 174.600 174.700 -0.061 0.000 1.025 589 T CA -0.417 61.650 62.100 -0.055 0.000 1.142 589 T CB 0.369 69.212 68.868 -0.042 0.000 0.947 589 T HN 0.375 nan 8.240 nan 0.000 0.544 590 L N 4.286 125.442 121.223 -0.113 0.000 2.295 590 L HA 0.320 4.660 4.340 -0.000 0.000 0.288 590 L C -0.136 176.726 176.870 -0.013 0.000 1.079 590 L CA -0.224 54.559 54.840 -0.095 0.000 0.830 590 L CB 0.247 42.222 42.059 -0.140 0.000 1.200 590 L HN 0.482 nan 8.230 nan 0.000 0.438 591 D N 5.970 126.388 120.400 0.029 0.000 2.396 591 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 591 D C -0.719 175.655 176.300 0.122 0.000 1.121 591 D CA -0.153 53.891 54.000 0.074 0.000 0.853 591 D CB 0.565 41.404 40.800 0.066 0.000 1.043 591 D HN 0.524 nan 8.370 nan 0.000 0.500 592 L N 2.300 123.618 121.223 0.158 0.000 2.344 592 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 592 L C 0.315 177.291 176.870 0.177 0.000 1.035 592 L CA -0.547 54.411 54.840 0.197 0.000 0.807 592 L CB 2.006 44.214 42.059 0.249 0.000 1.237 592 L HN 0.223 nan 8.230 nan 0.000 0.442 593 T N 1.407 116.086 114.554 0.207 0.000 3.187 593 T HA 0.327 4.677 4.350 -0.000 0.000 0.328 593 T C -0.626 174.215 174.700 0.235 0.000 0.951 593 T CA -0.373 61.832 62.100 0.175 0.000 1.049 593 T CB 1.287 70.229 68.868 0.123 0.000 1.015 593 T HN 0.143 nan 8.240 nan 0.000 0.461 594 V N 3.749 123.759 119.914 0.161 0.000 2.370 594 V HA 0.492 4.612 4.120 -0.000 0.000 0.279 594 V C 0.060 176.190 176.094 0.061 0.000 1.029 594 V CA -0.736 61.643 62.300 0.132 0.000 0.870 594 V CB 1.628 33.504 31.823 0.088 0.000 0.984 594 V HN 0.653 nan 8.190 nan 0.000 0.451 595 V N 5.989 125.943 119.914 0.066 0.000 2.347 595 V HA 0.411 4.531 4.120 -0.000 0.000 0.280 595 V C -0.129 175.869 176.094 -0.160 0.000 1.021 595 V CA -0.518 61.775 62.300 -0.012 0.000 0.847 595 V CB 1.740 33.639 31.823 0.127 0.000 0.990 595 V HN 0.613 nan 8.190 nan 0.000 0.444 596 V N 3.896 123.550 119.914 -0.434 0.000 2.334 596 V HA 0.419 4.539 4.120 -0.000 0.000 0.281 596 V C -0.416 175.455 176.094 -0.371 0.000 1.016 596 V CA -0.364 61.615 62.300 -0.535 0.000 0.832 596 V CB 1.687 32.877 31.823 -1.054 0.000 0.999 596 V HN 0.888 nan 8.190 nan 0.000 0.439 597 D N 5.617 125.873 120.400 -0.241 0.000 2.458 597 D HA 0.283 4.923 4.640 -0.000 0.000 0.258 597 D C 0.658 176.840 176.300 -0.197 0.000 1.134 597 D CA 0.012 53.961 54.000 -0.086 0.000 0.915 597 D CB 0.220 41.026 40.800 0.009 0.000 1.028 597 D HN 0.501 nan 8.370 nan 0.000 0.508 598 N N 2.080 120.477 118.700 -0.504 0.000 1.188 598 N HA -0.369 4.371 4.740 -0.000 0.000 0.128 598 N C 1.065 176.478 175.510 -0.161 0.000 0.759 598 N CA 2.460 55.230 53.050 -0.467 0.000 0.905 598 N CB -1.122 37.231 38.487 -0.223 0.000 1.156 598 N HN 0.378 nan 8.380 nan 0.000 0.553 599 A N 0.457 123.322 122.820 0.075 0.000 2.015 599 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 599 A C 0.947 178.512 177.584 -0.031 0.000 1.163 599 A CA 1.497 53.613 52.037 0.132 0.000 0.646 599 A CB -0.316 18.898 19.000 0.355 0.000 0.806 599 A HN 0.405 nan 8.150 nan 0.000 0.448 600 V N 1.318 121.112 119.914 -0.200 0.000 2.446 600 V HA 0.201 4.321 4.120 -0.000 0.000 0.276 600 V C -0.254 175.622 176.094 -0.363 0.000 1.030 600 V CA 0.129 62.116 62.300 -0.522 0.000 1.033 600 V CB 0.719 32.087 31.823 -0.757 0.000 0.993 600 V HN 0.150 nan 8.190 nan 0.000 0.477 601 V N 5.642 125.362 119.914 -0.323 0.000 2.409 601 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 601 V C -0.075 175.919 176.094 -0.167 0.000 1.020 601 V CA -0.623 61.553 62.300 -0.207 0.000 0.848 601 V CB 1.774 33.502 31.823 -0.158 0.000 0.990 601 V HN 0.915 nan 8.190 nan 0.000 0.430 602 E N 3.478 123.627 120.200 -0.086 0.000 2.191 602 E HA 0.544 4.894 4.350 -0.000 0.000 0.263 602 E C -1.363 175.214 176.600 -0.040 0.000 0.881 602 E CA -0.584 55.760 56.400 -0.094 0.000 0.757 602 E CB 2.601 32.306 29.700 0.007 0.000 1.147 602 E HN 0.436 nan 8.360 nan 0.000 0.414 603 V N 4.410 124.266 119.914 -0.096 0.000 2.328 603 V HA 0.281 4.401 4.120 -0.000 0.000 0.278 603 V C -0.943 175.180 176.094 0.048 0.000 1.021 603 V CA -0.633 61.709 62.300 0.069 0.000 0.838 603 V CB -0.064 31.851 31.823 0.153 0.000 0.999 603 V HN 0.585 nan 8.190 nan 0.000 0.447 604 Y N 2.645 123.072 120.300 0.212 0.000 2.387 604 Y HA 0.785 5.334 4.550 -0.000 0.000 0.336 604 Y C 0.379 176.453 175.900 0.290 0.000 1.067 604 Y CA -0.596 57.653 58.100 0.248 0.000 1.114 604 Y CB 2.131 40.679 38.460 0.147 0.000 1.208 604 Y HN 0.686 nan 8.280 nan 0.000 0.458 605 A N 2.162 125.291 122.820 0.515 0.000 2.459 605 A HA 0.407 4.727 4.320 -0.000 0.000 0.296 605 A C -0.247 177.507 177.584 0.283 0.000 1.039 605 A CA -0.936 51.295 52.037 0.322 0.000 0.698 605 A CB 0.546 19.638 19.000 0.154 0.000 1.261 605 A HN 1.014 nan 8.150 nan 0.000 0.405 606 N N 1.199 120.009 118.700 0.183 0.000 2.696 606 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 606 N C 1.021 176.632 175.510 0.168 0.000 1.090 606 N CA 1.144 54.283 53.050 0.149 0.000 0.716 606 N CB -0.699 37.864 38.487 0.127 0.000 1.020 606 N HN 2.138 nan 8.380 nan 0.000 0.548 607 G N 0.638 109.547 108.800 0.182 0.000 2.212 607 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 607 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 607 G C 0.570 175.576 174.900 0.176 0.000 1.002 607 G CA 1.219 46.410 45.100 0.152 0.000 0.729 607 G HN 0.810 nan 8.290 nan 0.000 0.517 608 R N -2.089 118.571 120.500 0.266 0.000 2.518 608 R HA 0.591 4.931 4.340 -0.000 0.000 0.419 608 R C -0.157 176.430 176.300 0.478 0.000 0.902 608 R CA -0.439 55.842 56.100 0.303 0.000 1.146 608 R CB 0.135 30.617 30.300 0.303 0.000 1.652 608 R HN 0.599 nan 8.270 nan 0.000 0.555 609 F N 1.101 121.223 119.950 0.285 0.000 2.608 609 F HA 0.757 5.284 4.527 -0.000 0.000 0.309 609 F C -1.909 174.029 175.800 0.231 0.000 1.103 609 F CA -0.612 57.583 58.000 0.325 0.000 0.954 609 F CB 2.282 41.449 39.000 0.278 0.000 1.267 609 F HN 0.117 nan 8.300 nan 0.000 0.444 610 A N 5.427 127.927 122.820 -0.532 0.000 2.459 610 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 610 A C -2.613 174.606 177.584 -0.608 0.000 1.039 610 A CA -0.542 51.188 52.037 -0.513 0.000 0.698 610 A CB 1.648 20.433 19.000 -0.358 0.000 1.261 610 A HN 1.023 nan 8.150 nan 0.000 0.405 611 L N 1.931 122.911 121.223 -0.405 0.000 2.441 611 L HA 0.757 5.097 4.340 -0.000 0.000 0.270 611 L C -0.830 175.961 176.870 -0.132 0.000 0.973 611 L CA 0.226 54.958 54.840 -0.181 0.000 0.842 611 L CB 1.976 44.023 42.059 -0.020 0.000 1.239 611 L HN 0.557 nan 8.230 nan 0.000 0.406 612 S N 2.574 118.203 115.700 -0.119 0.000 2.532 612 S HA 0.927 5.397 4.470 -0.000 0.000 0.301 612 S C -0.506 174.001 174.600 -0.154 0.000 1.083 612 S CA -0.544 57.562 58.200 -0.157 0.000 1.025 612 S CB 1.998 65.090 63.200 -0.180 0.000 1.056 612 S HN 0.804 nan 8.310 nan 0.000 0.494 613 T N 0.257 114.666 114.554 -0.241 0.000 2.693 613 T HA 0.531 4.881 4.350 -0.000 0.000 0.304 613 T C -2.157 172.312 174.700 -0.385 0.000 1.471 613 T CA -0.650 61.302 62.100 -0.247 0.000 0.993 613 T CB 0.365 69.165 68.868 -0.115 0.000 1.554 613 T HN 0.572 nan 8.240 nan 0.000 0.496 614 W N 1.503 122.681 121.300 -0.204 0.000 2.433 614 W HA 0.700 5.360 4.660 0.000 0.000 0.315 614 W C 0.049 176.413 176.519 -0.258 0.000 1.087 614 W CA -0.680 56.520 57.345 -0.243 0.000 1.205 614 W CB 1.429 30.704 29.460 -0.309 0.000 1.288 614 W HN 0.762 nan 8.180 nan 0.000 0.504 615 A N 4.174 126.999 122.820 0.009 0.000 2.802 615 A HA 0.444 4.764 4.320 -0.000 0.000 0.344 615 A C -0.058 177.479 177.584 -0.078 0.000 1.215 615 A CA -0.850 51.154 52.037 -0.055 0.000 0.821 615 A CB 0.092 19.064 19.000 -0.046 0.000 1.099 615 A HN 0.744 nan 8.150 nan 0.000 0.479 616 R N 2.014 122.369 120.500 -0.243 0.000 4.556 616 R HA 0.124 4.464 4.340 -0.000 0.000 0.197 616 R C 0.542 176.855 176.300 0.022 0.000 1.791 616 R CA 0.198 55.975 56.100 -0.537 0.000 1.526 616 R CB -0.148 29.332 30.300 -1.366 0.000 1.410 616 R HN 0.765 nan 8.270 nan 0.000 0.826 617 S N -0.297 115.517 115.700 0.190 0.000 2.573 617 S HA -0.025 4.445 4.470 -0.000 0.000 0.277 617 S C 0.668 175.552 174.600 0.473 0.000 1.346 617 S CA -0.762 57.607 58.200 0.282 0.000 1.034 617 S CB 1.069 64.390 63.200 0.201 0.000 0.879 617 S HN 0.674 nan 8.310 nan 0.000 0.528 618 W N 1.864 123.273 121.300 0.181 0.000 2.728 618 W HA 0.197 4.857 4.660 -0.000 0.000 0.270 618 W C -0.603 175.879 176.519 -0.062 0.000 1.150 618 W CA -0.208 57.158 57.345 0.034 0.000 1.518 618 W CB -0.201 29.154 29.460 -0.175 0.000 1.069 618 W HN 0.709 nan 8.180 nan 0.000 0.590 619 Y N 3.277 123.710 120.300 0.221 0.000 2.411 619 Y HA -0.008 4.542 4.550 -0.000 0.000 0.333 619 Y C 1.695 177.588 175.900 -0.010 0.000 1.186 619 Y CA 0.515 58.669 58.100 0.090 0.000 1.381 619 Y CB 0.385 38.959 38.460 0.190 0.000 1.273 619 Y HN -0.087 nan 8.280 nan 0.000 0.546 620 D N 0.588 121.061 120.400 0.121 0.000 2.219 620 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 620 D C 1.050 177.403 176.300 0.088 0.000 0.970 620 D CA 1.098 55.133 54.000 0.059 0.000 0.851 620 D CB 0.000 40.820 40.800 0.033 0.000 0.943 620 D HN 0.597 nan 8.370 nan 0.000 0.488 621 N N 0.378 119.150 118.700 0.120 0.000 2.457 621 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 621 N C 0.229 175.778 175.510 0.065 0.000 1.050 621 N CA 0.213 53.305 53.050 0.070 0.000 0.906 621 N CB 0.103 38.609 38.487 0.032 0.000 0.968 621 N HN -0.099 nan 8.380 nan 0.000 0.445 622 S N 0.878 116.647 115.700 0.114 0.000 4.051 622 S HA 0.071 4.541 4.470 -0.000 0.000 0.215 622 S C 1.182 175.821 174.600 0.065 0.000 1.289 622 S CA -0.048 58.211 58.200 0.098 0.000 0.907 622 S CB -0.351 62.949 63.200 0.167 0.000 1.603 622 S HN 0.421 nan 8.310 nan 0.000 0.453 623 T N -2.164 112.401 114.554 0.019 0.000 3.144 623 T HA 0.194 4.544 4.350 -0.000 0.000 0.290 623 T C 0.287 174.915 174.700 -0.120 0.000 0.966 623 T CA -0.483 61.604 62.100 -0.022 0.000 0.907 623 T CB 0.185 69.046 68.868 -0.011 0.000 1.152 623 T HN 0.223 nan 8.240 nan 0.000 0.532 624 Q N 1.184 120.927 119.800 -0.095 0.000 2.392 624 Q HA 0.444 4.784 4.340 -0.000 0.000 0.262 624 Q C -0.350 175.502 176.000 -0.246 0.000 1.003 624 Q CA 0.322 56.038 55.803 -0.145 0.000 0.888 624 Q CB 1.231 29.923 28.738 -0.078 0.000 1.260 624 Q HN 0.569 nan 8.270 nan 0.000 0.435 625 I N 2.564 122.889 120.570 -0.408 0.000 2.498 625 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 625 I C -0.367 175.316 176.117 -0.724 0.000 1.032 625 I CA -0.625 60.264 61.300 -0.684 0.000 1.073 625 I CB 1.827 39.108 38.000 -1.198 0.000 1.251 625 I HN 0.347 nan 8.210 nan 0.000 0.426 626 R N 4.419 124.686 120.500 -0.388 0.000 2.744 626 R HA 0.576 4.916 4.340 -0.000 0.000 0.279 626 R C -1.327 175.056 176.300 0.139 0.000 0.977 626 R CA -0.772 55.295 56.100 -0.054 0.000 0.906 626 R CB 2.083 32.429 30.300 0.077 0.000 1.197 626 R HN 0.253 nan 8.270 nan 0.000 0.463 627 F N 1.799 121.906 119.950 0.262 0.000 2.471 627 F HA 0.275 4.802 4.527 -0.000 0.000 0.353 627 F C 0.084 175.940 175.800 0.093 0.000 1.113 627 F CA 0.342 58.316 58.000 -0.043 0.000 1.262 627 F CB 0.548 39.387 39.000 -0.268 0.000 1.146 627 F HN 0.319 nan 8.300 nan 0.000 0.578 628 F N 3.422 123.440 119.950 0.114 0.000 2.547 628 F HA 0.522 5.049 4.527 -0.000 0.000 0.316 628 F C -1.428 174.558 175.800 0.310 0.000 1.121 628 F CA -0.795 57.317 58.000 0.186 0.000 0.911 628 F CB 1.097 40.184 39.000 0.145 0.000 1.179 628 F HN 0.501 nan 8.300 nan 0.000 0.443 629 H N 4.400 122.986 119.070 -0.808 0.000 3.029 629 H HA 0.293 4.849 4.556 -0.000 0.000 0.358 629 H C -0.558 174.310 175.328 -0.768 0.000 1.129 629 H CA -0.849 54.768 56.048 -0.718 0.000 1.230 629 H CB 1.248 30.902 29.762 -0.181 0.000 1.827 629 H HN 0.541 nan 8.280 nan 0.000 0.530 630 N N 2.987 121.007 118.700 -1.132 0.000 2.313 630 N HA 0.143 4.883 4.740 -0.000 0.000 0.207 630 N C 1.160 176.346 175.510 -0.539 0.000 1.141 630 N CA 0.524 53.187 53.050 -0.644 0.000 0.830 630 N CB 0.239 38.482 38.487 -0.406 0.000 1.008 630 N HN 0.973 nan 8.380 nan 0.000 0.481 631 G N -0.113 108.209 108.800 -0.796 0.000 2.212 631 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.266 631 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.266 631 G C -0.352 174.424 174.900 -0.207 0.000 0.978 631 G CA 0.254 45.171 45.100 -0.305 0.000 0.632 631 G HN 0.423 nan 8.290 nan 0.000 0.537 632 E N 1.462 121.462 120.200 -0.333 0.000 2.052 632 E HA 0.505 4.854 4.350 -0.000 0.000 0.283 632 E C 1.076 177.673 176.600 -0.004 0.000 1.071 632 E CA 0.882 57.204 56.400 -0.130 0.000 0.851 632 E CB 0.391 30.013 29.700 -0.130 0.000 1.066 632 E HN 1.560 nan 8.360 nan 0.000 0.396 633 G N 3.656 112.498 108.800 0.070 0.000 2.642 633 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 633 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 633 G C -0.488 174.560 174.900 0.248 0.000 1.338 633 G CA 0.027 45.200 45.100 0.122 0.000 0.883 633 G HN 0.617 nan 8.290 nan 0.000 0.570 634 E N -2.276 118.021 120.200 0.161 0.000 2.383 634 E HA 0.705 5.055 4.350 -0.000 0.000 0.275 634 E C -1.367 175.215 176.600 -0.030 0.000 0.918 634 E CA -0.872 55.513 56.400 -0.025 0.000 0.764 634 E CB 2.439 32.110 29.700 -0.049 0.000 1.252 634 E HN 1.550 nan 8.360 nan 0.000 0.449 635 V N 1.307 121.042 119.914 -0.299 0.000 2.962 635 V HA 0.406 4.525 4.120 -0.000 0.000 0.313 635 V C -1.648 174.151 176.094 -0.492 0.000 1.099 635 V CA -0.447 61.632 62.300 -0.368 0.000 0.971 635 V CB 2.140 33.684 31.823 -0.465 0.000 1.028 635 V HN 0.818 nan 8.190 nan 0.000 0.430 636 Q N 4.844 124.320 119.800 -0.540 0.000 2.357 636 Q HA 0.467 4.807 4.340 -0.000 0.000 0.266 636 Q C -1.688 174.066 176.000 -0.410 0.000 1.021 636 Q CA -0.267 55.314 55.803 -0.371 0.000 0.784 636 Q CB 2.120 30.719 28.738 -0.230 0.000 1.243 636 Q HN 0.676 nan 8.270 nan 0.000 0.465 637 F N 2.183 122.061 119.950 -0.120 0.000 2.410 637 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 637 F C 0.567 176.380 175.800 0.021 0.000 1.106 637 F CA -0.209 57.798 58.000 0.011 0.000 1.163 637 F CB 0.865 39.963 39.000 0.162 0.000 1.129 637 F HN 0.239 nan 8.300 nan 0.000 0.516 638 R N 1.115 121.749 120.500 0.223 0.000 2.740 638 R HA 0.334 4.674 4.340 -0.000 0.000 0.273 638 R C -0.674 175.713 176.300 0.145 0.000 0.998 638 R CA -1.313 54.866 56.100 0.132 0.000 0.900 638 R CB 1.533 31.860 30.300 0.045 0.000 1.223 638 R HN 0.741 nan 8.270 nan 0.000 0.466 639 N N -0.281 118.480 118.700 0.103 0.000 2.725 639 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 639 N C -0.850 174.727 175.510 0.112 0.000 1.031 639 N CA 0.045 53.146 53.050 0.085 0.000 0.720 639 N CB -0.809 37.718 38.487 0.066 0.000 0.930 639 N HN 0.122 nan 8.380 nan 0.000 0.543 640 V N 0.412 120.405 119.914 0.132 0.000 2.498 640 V HA 0.592 4.712 4.120 -0.000 0.000 0.279 640 V C 0.515 176.621 176.094 0.020 0.000 1.048 640 V CA 0.019 62.389 62.300 0.117 0.000 0.967 640 V CB 1.683 33.602 31.823 0.161 0.000 0.988 640 V HN 0.346 nan 8.190 nan 0.000 0.473 641 S N 3.454 119.168 115.700 0.022 0.000 2.588 641 S HA 0.772 5.242 4.470 -0.000 0.000 0.269 641 S C -1.612 173.021 174.600 0.055 0.000 1.157 641 S CA -0.463 57.751 58.200 0.023 0.000 0.824 641 S CB 2.051 65.270 63.200 0.031 0.000 1.126 641 S HN 0.434 nan 8.310 nan 0.000 0.464 642 V N 2.406 122.358 119.914 0.063 0.000 2.577 642 V HA 0.689 4.809 4.120 -0.000 0.000 0.303 642 V C -0.351 175.798 176.094 0.092 0.000 1.042 642 V CA -0.662 61.688 62.300 0.084 0.000 0.872 642 V CB 1.696 33.537 31.823 0.031 0.000 0.998 642 V HN 0.806 nan 8.190 nan 0.000 0.423 643 S N 3.833 119.615 115.700 0.137 0.000 2.474 643 S HA 0.500 4.970 4.470 -0.000 0.000 0.321 643 S C -0.590 174.124 174.600 0.191 0.000 1.080 643 S CA -0.515 57.763 58.200 0.129 0.000 1.106 643 S CB 0.837 64.104 63.200 0.110 0.000 0.984 643 S HN 0.873 nan 8.310 nan 0.000 0.464 644 E N 3.301 123.601 120.200 0.165 0.000 2.204 644 E HA 0.604 4.954 4.350 -0.000 0.000 0.276 644 E C 0.932 177.644 176.600 0.187 0.000 0.974 644 E CA 0.075 56.603 56.400 0.214 0.000 0.815 644 E CB 0.972 30.768 29.700 0.159 0.000 1.119 644 E HN 0.908 nan 8.360 nan 0.000 0.393 645 G N 3.740 112.681 108.800 0.235 0.000 2.491 645 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.203 645 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.203 645 G C 0.553 175.541 174.900 0.147 0.000 1.052 645 G CA -0.166 45.033 45.100 0.166 0.000 0.675 645 G HN 0.702 nan 8.290 nan 0.000 0.504 646 L N -1.949 119.389 121.223 0.190 0.000 6.780 646 L HA -0.193 4.147 4.340 -0.000 0.000 0.053 646 L C 0.660 177.688 176.870 0.264 0.000 1.778 646 L CA 2.183 57.159 54.840 0.227 0.000 1.657 646 L CB -1.393 40.779 42.059 0.188 0.000 2.738 646 L HN 1.700 nan 8.230 nan 0.000 1.065 647 Y N -2.080 118.224 120.300 0.007 0.000 2.741 647 Y HA 0.523 5.073 4.550 -0.000 0.000 0.339 647 Y C -0.671 175.219 175.900 -0.016 0.000 1.226 647 Y CA -1.227 56.860 58.100 -0.020 0.000 1.072 647 Y CB 0.992 39.442 38.460 -0.017 0.000 1.331 647 Y HN 0.437 nan 8.280 nan 0.000 0.453 648 N N 1.131 119.796 118.700 -0.059 0.000 2.408 648 N HA 0.345 5.085 4.740 -0.000 0.000 0.257 648 N C 0.333 175.780 175.510 -0.105 0.000 1.064 648 N CA 0.658 53.650 53.050 -0.098 0.000 0.952 648 N CB 1.809 40.308 38.487 0.019 0.000 1.093 648 N HN 0.936 nan 8.380 nan 0.000 0.490 649 A N 3.587 126.274 122.820 -0.221 0.000 2.169 649 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 649 A C -0.038 177.367 177.584 -0.298 0.000 1.153 649 A CA 0.253 52.167 52.037 -0.204 0.000 0.756 649 A CB -0.145 18.725 19.000 -0.218 0.000 0.813 649 A HN 0.718 nan 8.150 nan 0.000 0.471 650 W N -0.581 120.758 121.300 0.064 0.000 2.148 650 W HA 0.429 5.089 4.660 0.000 0.000 0.288 650 W C -2.241 174.304 176.519 0.044 0.000 0.920 650 W CA -2.038 55.352 57.345 0.075 0.000 1.904 650 W CB 0.419 29.912 29.460 0.054 0.000 2.083 650 W HN 0.126 nan 8.180 nan 0.000 0.398 651 P HA -0.228 nan 4.420 nan 0.000 0.217 651 P C 0.856 178.221 177.300 0.108 0.000 1.148 651 P CA 1.851 65.012 63.100 0.102 0.000 0.828 651 P CB 0.402 32.133 31.700 0.052 0.000 0.783 652 E N -1.542 118.741 120.200 0.138 0.000 2.479 652 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 652 E C 0.794 177.466 176.600 0.120 0.000 1.049 652 E CA -0.102 56.366 56.400 0.114 0.000 0.870 652 E CB 0.107 29.869 29.700 0.103 0.000 0.944 652 E HN 0.310 nan 8.360 nan 0.000 0.492 653 R N 0.000 120.592 120.500 0.153 0.000 2.786 653 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 653 R CA 0.000 56.161 56.100 0.102 0.000 0.921 653 R CB 0.000 30.356 30.300 0.093 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535