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 3d37_1_A DATA FIRST_RESID 6 DATA SEQUENCE YGYAVSVRVG GKEHRHWERY DIDSDFLIPA DSFDFVIGRX XXXXXXPDLS DATA SEQUENCE GESCEVVIDG QIVMTGIIGS QRHGKSKGSR ELSLSGRDLA GFLVDCSAPQ DATA SEQUENCE LNVKGMTVLD AAKKLAAPWP QIKAVVLKAE NNPALGKIDI EPGETVWQAL DATA SEQUENCE THIANSVGLH PWLEPDGTLV VGGADYSSPP VATLcWSRTD SRcNIERMDI DATA SEQUENCE EWDTDNRFSE VTFLAQSHGX XXXXXXHDLK WVYKDPTMTL HRPKTVVVSX DATA SEQUENCE XDNLAALQKQ AKKQLADWRL EGFTLTITVG GHKTRDGVLW QPGLRVHVID DATA SEQUENCE DEHGIDAVFF LMGRRFMLSR MDGTQTELRL KEDGIWTPDA YP 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.832 175.900 -0.114 0.000 1.272 6 Y CA 0.000 58.059 58.100 -0.068 0.000 1.940 6 Y CB 0.000 38.435 38.460 -0.042 0.000 1.050 7 G N -1.129 107.671 108.800 -0.001 0.000 3.217 7 G HA2 0.487 4.447 3.960 -0.000 0.000 0.213 7 G HA3 0.487 4.447 3.960 -0.000 0.000 0.213 7 G C -1.633 173.143 174.900 -0.206 0.000 1.294 7 G CA -0.689 44.330 45.100 -0.135 0.000 0.987 7 G HN -0.084 nan 8.290 nan 0.000 0.584 8 Y N 0.484 120.817 120.300 0.055 0.000 2.319 8 Y HA 0.480 5.030 4.550 -0.000 0.000 0.328 8 Y C 0.906 176.855 175.900 0.083 0.000 1.133 8 Y CA -0.178 57.956 58.100 0.058 0.000 1.265 8 Y CB 1.324 39.835 38.460 0.085 0.000 1.218 8 Y HN 0.498 nan 8.280 nan 0.000 0.508 9 A N 3.934 126.864 122.820 0.183 0.000 2.343 9 A HA 0.567 4.887 4.320 -0.000 0.000 0.305 9 A C -0.836 176.820 177.584 0.120 0.000 1.308 9 A CA -0.501 51.606 52.037 0.116 0.000 0.949 9 A CB -0.420 18.600 19.000 0.033 0.000 1.148 9 A HN 0.548 nan 8.150 nan 0.000 0.545 10 V N 3.495 123.506 119.914 0.163 0.000 2.409 10 V HA 0.630 4.750 4.120 -0.000 0.000 0.291 10 V C 0.241 176.437 176.094 0.170 0.000 1.020 10 V CA -0.093 62.274 62.300 0.111 0.000 0.848 10 V CB 1.325 33.194 31.823 0.077 0.000 0.990 10 V HN 1.060 nan 8.190 nan 0.000 0.430 11 S N 3.688 119.410 115.700 0.036 0.000 2.599 11 S HA 0.802 5.272 4.470 -0.000 0.000 0.287 11 S C -0.993 173.507 174.600 -0.166 0.000 1.105 11 S CA -0.849 57.383 58.200 0.053 0.000 0.899 11 S CB 2.117 65.312 63.200 -0.007 0.000 1.100 11 S HN 0.334 nan 8.310 nan 0.000 0.482 12 V N 2.038 121.867 119.914 -0.142 0.000 2.311 12 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 12 V C 0.333 176.412 176.094 -0.025 0.000 1.022 12 V CA -0.566 61.563 62.300 -0.286 0.000 0.830 12 V CB 0.713 32.263 31.823 -0.455 0.000 1.012 12 V HN 0.883 nan 8.190 nan 0.000 0.452 13 R N 3.976 124.437 120.500 -0.065 0.000 2.216 13 R HA 0.637 4.976 4.340 -0.000 0.000 0.332 13 R C -1.386 174.928 176.300 0.023 0.000 1.056 13 R CA -0.177 55.923 56.100 0.001 0.000 0.901 13 R CB 1.168 31.447 30.300 -0.035 0.000 1.039 13 R HN 0.539 nan 8.270 nan 0.000 0.456 14 V N 3.486 123.460 119.914 0.100 0.000 2.569 14 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 14 V C 0.346 176.495 176.094 0.092 0.000 1.044 14 V CA -0.419 61.932 62.300 0.085 0.000 0.874 14 V CB 1.776 33.651 31.823 0.087 0.000 1.002 14 V HN 1.025 nan 8.190 nan 0.000 0.424 15 G N 3.618 112.452 108.800 0.056 0.000 2.372 15 G HA2 0.099 4.059 3.960 -0.000 0.000 0.297 15 G HA3 0.099 4.059 3.960 -0.000 0.000 0.297 15 G C 1.272 176.189 174.900 0.029 0.000 1.005 15 G CA 0.781 45.908 45.100 0.045 0.000 1.173 15 G HN 2.377 nan 8.290 nan 0.000 0.511 16 G N -0.670 108.140 108.800 0.016 0.000 2.238 16 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.270 16 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.270 16 G C 0.594 175.479 174.900 -0.024 0.000 0.977 16 G CA 1.741 46.839 45.100 -0.004 0.000 0.639 16 G HN 1.350 nan 8.290 nan 0.000 0.544 17 K N 1.028 121.416 120.400 -0.020 0.000 2.183 17 K HA 0.438 4.758 4.320 -0.000 0.000 0.274 17 K C -0.305 176.208 176.600 -0.145 0.000 1.009 17 K CA -0.629 55.600 56.287 -0.097 0.000 0.888 17 K CB 0.520 32.973 32.500 -0.078 0.000 1.078 17 K HN 0.096 nan 8.250 nan 0.000 0.459 18 E N 3.252 123.313 120.200 -0.232 0.000 2.200 18 E HA 0.147 4.497 4.350 -0.000 0.000 0.283 18 E C -1.017 175.347 176.600 -0.393 0.000 1.015 18 E CA -0.501 55.780 56.400 -0.199 0.000 0.819 18 E CB 1.117 30.723 29.700 -0.156 0.000 1.081 18 E HN 0.516 nan 8.360 nan 0.000 0.397 19 H N 1.501 120.534 119.070 -0.061 0.000 2.504 19 H HA 0.465 5.021 4.556 -0.000 0.000 0.322 19 H C 0.124 175.355 175.328 -0.162 0.000 1.055 19 H CA -0.470 55.515 56.048 -0.105 0.000 1.231 19 H CB 1.363 31.140 29.762 0.024 0.000 1.417 19 H HN 0.251 nan 8.280 nan 0.000 0.472 20 R N -0.111 120.134 120.500 -0.425 0.000 3.018 20 R HA 0.391 4.731 4.340 -0.000 0.000 0.243 20 R C -0.625 175.127 176.300 -0.914 0.000 1.315 20 R CA -0.803 54.942 56.100 -0.592 0.000 1.039 20 R CB 0.825 30.683 30.300 -0.736 0.000 1.315 20 R HN 0.964 nan 8.270 nan 0.000 0.492 21 H N -2.232 116.596 119.070 -0.404 0.000 2.931 21 H HA -0.153 4.403 4.556 -0.000 0.000 0.290 21 H C -1.271 173.877 175.328 -0.300 0.000 1.264 21 H CA 0.491 56.372 56.048 -0.279 0.000 1.140 21 H CB -1.568 28.054 29.762 -0.233 0.000 1.343 21 H HN 0.327 nan 8.280 nan 0.000 0.403 22 W N 1.319 122.800 121.300 0.302 0.000 2.202 22 W HA 0.187 4.847 4.660 -0.000 0.000 0.332 22 W C 1.682 178.351 176.519 0.250 0.000 1.263 22 W CA 0.129 57.671 57.345 0.330 0.000 1.223 22 W CB 0.470 30.257 29.460 0.546 0.000 1.128 22 W HN 0.447 nan 8.180 nan 0.000 0.573 23 E N 1.228 121.682 120.200 0.424 0.000 2.250 23 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 23 E C 0.477 177.185 176.600 0.180 0.000 0.986 23 E CA 0.315 56.865 56.400 0.249 0.000 0.849 23 E CB 0.212 30.015 29.700 0.172 0.000 0.797 23 E HN 0.501 nan 8.360 nan 0.000 0.482 24 R N -0.413 120.219 120.500 0.220 0.000 2.680 24 R HA 0.453 4.793 4.340 -0.000 0.000 0.269 24 R C -1.701 174.614 176.300 0.026 0.000 1.026 24 R CA -1.015 55.096 56.100 0.018 0.000 0.889 24 R CB 1.058 31.358 30.300 -0.001 0.000 1.241 24 R HN 0.127 nan 8.270 nan 0.000 0.463 25 Y N -1.438 118.804 120.300 -0.097 0.000 2.656 25 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 25 Y C -1.889 173.822 175.900 -0.316 0.000 1.179 25 Y CA -1.407 56.445 58.100 -0.414 0.000 1.050 25 Y CB 1.710 39.622 38.460 -0.914 0.000 1.308 25 Y HN 0.581 nan 8.280 nan 0.000 0.456 26 D N 1.926 122.240 120.400 -0.143 0.000 2.855 26 D HA 0.502 5.142 4.640 -0.000 0.000 0.241 26 D C -1.324 174.892 176.300 -0.139 0.000 1.277 26 D CA -0.107 53.841 54.000 -0.087 0.000 0.918 26 D CB 2.675 43.406 40.800 -0.115 0.000 1.462 26 D HN 0.645 nan 8.370 nan 0.000 0.559 27 I N 1.712 122.246 120.570 -0.061 0.000 2.439 27 I HA 0.185 4.355 4.170 -0.000 0.000 0.283 27 I C -0.565 175.479 176.117 -0.122 0.000 1.023 27 I CA -0.511 60.760 61.300 -0.049 0.000 1.100 27 I CB 2.049 40.072 38.000 0.039 0.000 1.238 27 I HN 0.069 nan 8.210 nan 0.000 0.445 28 D N 5.150 125.474 120.400 -0.127 0.000 2.425 28 D HA 0.436 5.076 4.640 -0.000 0.000 0.240 28 D C -1.096 175.090 176.300 -0.189 0.000 1.080 28 D CA -0.093 53.793 54.000 -0.188 0.000 0.836 28 D CB 1.895 42.594 40.800 -0.167 0.000 1.125 28 D HN 0.368 nan 8.370 nan 0.000 0.525 29 S N 2.978 118.518 115.700 -0.267 0.000 2.513 29 S HA 0.508 4.978 4.470 -0.000 0.000 0.299 29 S C -0.889 173.508 174.600 -0.338 0.000 1.087 29 S CA -0.882 57.156 58.200 -0.270 0.000 1.012 29 S CB 2.336 65.361 63.200 -0.291 0.000 1.044 29 S HN 0.493 nan 8.310 nan 0.000 0.485 30 D N 0.497 120.708 120.400 -0.315 0.000 2.937 30 D HA 0.239 4.879 4.640 -0.000 0.000 0.215 30 D C -0.337 175.824 176.300 -0.232 0.000 1.274 30 D CA -0.415 53.396 54.000 -0.315 0.000 0.869 30 D CB 0.954 41.634 40.800 -0.200 0.000 1.675 30 D HN 0.297 nan 8.370 nan 0.000 0.538 31 F N 1.668 121.446 119.950 -0.287 0.000 2.234 31 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 31 F C 2.151 177.948 175.800 -0.006 0.000 1.087 31 F CA 0.829 58.688 58.000 -0.236 0.000 1.340 31 F CB 0.022 38.590 39.000 -0.721 0.000 1.031 31 F HN 0.369 nan 8.300 nan 0.000 0.500 32 L N -1.039 120.227 121.223 0.071 0.000 2.357 32 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 32 L C 0.618 177.602 176.870 0.190 0.000 1.075 32 L CA 0.096 55.007 54.840 0.119 0.000 0.830 32 L CB -0.162 41.887 42.059 -0.016 0.000 0.996 32 L HN -0.157 nan 8.230 nan 0.000 0.467 33 I N 1.493 122.107 120.570 0.074 0.000 2.452 33 I HA 0.026 4.196 4.170 -0.000 0.000 0.287 33 I C -1.241 174.884 176.117 0.014 0.000 1.079 33 I CA -1.412 59.904 61.300 0.028 0.000 1.387 33 I CB 0.741 38.710 38.000 -0.052 0.000 1.404 33 I HN -0.140 nan 8.210 nan 0.000 0.522 34 P HA -0.180 nan 4.420 nan 0.000 0.214 34 P C -0.029 176.907 177.300 -0.607 0.000 1.169 34 P CA 1.103 63.917 63.100 -0.477 0.000 0.908 34 P CB 0.236 31.472 31.700 -0.772 0.000 0.791 35 A N 0.004 122.558 122.820 -0.444 0.000 2.256 35 A HA 0.270 4.590 4.320 -0.000 0.000 0.317 35 A C -0.417 177.043 177.584 -0.206 0.000 1.318 35 A CA -0.556 51.271 52.037 -0.351 0.000 0.894 35 A CB -0.125 18.674 19.000 -0.336 0.000 1.165 35 A HN -0.039 nan 8.150 nan 0.000 0.525 36 D N 1.803 122.119 120.400 -0.140 0.000 2.400 36 D HA 0.362 5.002 4.640 -0.000 0.000 0.238 36 D C 0.698 176.951 176.300 -0.077 0.000 1.157 36 D CA 0.968 54.910 54.000 -0.095 0.000 0.889 36 D CB 0.932 41.700 40.800 -0.052 0.000 1.199 36 D HN 0.626 nan 8.370 nan 0.000 0.436 37 S N -0.209 115.448 115.700 -0.071 0.000 2.627 37 S HA 0.832 5.302 4.470 -0.000 0.000 0.283 37 S C -0.903 173.702 174.600 0.007 0.000 1.127 37 S CA -1.036 57.101 58.200 -0.106 0.000 0.863 37 S CB 1.480 64.562 63.200 -0.197 0.000 1.121 37 S HN 0.424 nan 8.310 nan 0.000 0.479 38 F N -1.171 118.721 119.950 -0.098 0.000 2.613 38 F HA 0.849 5.376 4.527 -0.000 0.000 0.310 38 F C -1.345 174.380 175.800 -0.126 0.000 1.085 38 F CA -0.747 57.181 58.000 -0.121 0.000 0.945 38 F CB 1.712 40.719 39.000 0.012 0.000 1.298 38 F HN 0.617 nan 8.300 nan 0.000 0.455 39 D N 2.071 122.420 120.400 -0.085 0.000 2.891 39 D HA 0.393 5.033 4.640 -0.000 0.000 0.224 39 D C -2.036 174.077 176.300 -0.311 0.000 1.321 39 D CA -0.018 53.908 54.000 -0.123 0.000 0.929 39 D CB 2.156 42.867 40.800 -0.148 0.000 1.551 39 D HN 0.485 nan 8.370 nan 0.000 0.574 40 F N 1.447 121.350 119.950 -0.078 0.000 2.540 40 F HA 0.528 5.055 4.527 -0.000 0.000 0.317 40 F C -0.039 175.769 175.800 0.013 0.000 1.104 40 F CA -0.752 57.103 58.000 -0.241 0.000 0.913 40 F CB 2.199 40.570 39.000 -1.047 0.000 1.170 40 F HN -0.057 nan 8.300 nan 0.000 0.450 41 V N 4.324 124.472 119.914 0.389 0.000 2.686 41 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 41 V C -1.096 175.359 176.094 0.601 0.000 1.065 41 V CA -0.683 61.870 62.300 0.422 0.000 0.894 41 V CB 2.154 34.114 31.823 0.228 0.000 1.004 41 V HN 0.572 nan 8.190 nan 0.000 0.424 42 I N 2.826 123.704 120.570 0.514 0.000 2.603 42 I HA 0.902 5.072 4.170 -0.000 0.000 0.300 42 I C 0.455 176.692 176.117 0.201 0.000 1.017 42 I CA -0.312 61.179 61.300 0.318 0.000 1.098 42 I CB 2.228 40.322 38.000 0.156 0.000 1.279 42 I HN 0.674 nan 8.210 nan 0.000 0.437 43 G N 6.867 115.752 108.800 0.141 0.000 4.332 43 G HA2 0.606 4.566 3.960 -0.000 0.000 0.321 43 G HA3 0.606 4.566 3.960 -0.000 0.000 0.321 43 G C -0.492 174.450 174.900 0.069 0.000 1.439 43 G CA -0.540 44.620 45.100 0.100 0.000 0.900 43 G HN 0.575 nan 8.290 nan 0.000 0.515 53 D N 1.749 122.152 120.400 0.005 0.000 2.344 53 D HA 0.178 4.817 4.640 -0.000 0.000 0.253 53 D C 0.611 176.918 176.300 0.012 0.000 1.255 53 D CA -0.147 53.860 54.000 0.012 0.000 0.894 53 D CB 0.539 41.349 40.800 0.017 0.000 1.067 53 D HN 0.363 nan 8.370 nan 0.000 0.492 54 L N 2.393 123.619 121.223 0.004 0.000 2.607 54 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 54 L C 0.927 177.812 176.870 0.024 0.000 1.123 54 L CA -0.293 54.548 54.840 0.002 0.000 0.890 54 L CB -0.297 41.735 42.059 -0.045 0.000 1.103 54 L HN 0.305 nan 8.230 nan 0.000 0.468 55 S N 0.234 115.951 115.700 0.027 0.000 2.549 55 S HA 0.349 4.819 4.470 -0.000 0.000 0.286 55 S C 1.348 175.967 174.600 0.033 0.000 1.314 55 S CA 0.194 58.411 58.200 0.028 0.000 1.062 55 S CB 1.114 64.326 63.200 0.021 0.000 0.865 55 S HN 0.520 nan 8.310 nan 0.000 0.498 56 G N 1.139 109.959 108.800 0.033 0.000 2.179 56 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 56 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 56 G C -0.097 174.843 174.900 0.067 0.000 0.977 56 G CA 0.200 45.327 45.100 0.045 0.000 0.641 56 G HN 0.754 nan 8.290 nan 0.000 0.533 57 E N 0.887 121.126 120.200 0.064 0.000 2.343 57 E HA 0.505 4.855 4.350 -0.000 0.000 0.269 57 E C 0.364 177.016 176.600 0.087 0.000 1.047 57 E CA -0.154 56.288 56.400 0.071 0.000 0.874 57 E CB 1.243 30.975 29.700 0.052 0.000 1.033 57 E HN 0.183 nan 8.360 nan 0.000 0.409 58 S N 0.875 116.631 115.700 0.093 0.000 2.564 58 S HA 0.262 4.732 4.470 -0.000 0.000 0.278 58 S C 0.188 174.824 174.600 0.060 0.000 1.333 58 S CA -0.599 57.660 58.200 0.099 0.000 1.048 58 S CB 0.047 63.310 63.200 0.105 0.000 0.900 58 S HN 0.645 nan 8.310 nan 0.000 0.505 59 C N 1.918 121.241 119.300 0.039 0.000 3.291 59 C HA 0.812 5.272 4.460 -0.000 0.000 0.316 59 C C -1.224 173.719 174.990 -0.078 0.000 1.391 59 C CA -0.981 58.015 59.018 -0.037 0.000 1.394 59 C CB 0.713 28.392 27.740 -0.102 0.000 1.744 59 C HN 0.824 nan 8.230 nan 0.000 0.461 60 E N 0.378 120.505 120.200 -0.123 0.000 2.293 60 E HA 0.619 4.969 4.350 -0.000 0.000 0.270 60 E C -1.323 175.145 176.600 -0.221 0.000 0.879 60 E CA -0.647 55.673 56.400 -0.133 0.000 0.756 60 E CB 2.441 32.102 29.700 -0.065 0.000 1.208 60 E HN 0.586 nan 8.360 nan 0.000 0.428 61 V N 2.922 122.694 119.914 -0.236 0.000 2.407 61 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 61 V C -0.417 175.590 176.094 -0.144 0.000 1.037 61 V CA -0.613 61.536 62.300 -0.253 0.000 0.900 61 V CB 1.336 33.016 31.823 -0.238 0.000 0.983 61 V HN 0.394 nan 8.190 nan 0.000 0.459 62 V N 6.193 126.024 119.914 -0.138 0.000 2.638 62 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 62 V C -0.436 175.600 176.094 -0.097 0.000 1.052 62 V CA -0.476 61.768 62.300 -0.094 0.000 0.885 62 V CB 2.054 33.836 31.823 -0.069 0.000 0.999 62 V HN 0.682 nan 8.190 nan 0.000 0.424 63 I N 3.003 123.512 120.570 -0.102 0.000 2.418 63 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 63 I C -0.303 175.801 176.117 -0.021 0.000 1.008 63 I CA -0.520 60.722 61.300 -0.097 0.000 1.104 63 I CB 1.690 39.530 38.000 -0.266 0.000 1.264 63 I HN 0.617 nan 8.210 nan 0.000 0.438 64 D N 5.490 125.912 120.400 0.036 0.000 2.686 64 D HA -0.196 4.444 4.640 -0.000 0.000 0.235 64 D C 1.214 177.517 176.300 0.005 0.000 1.160 64 D CA 1.676 55.700 54.000 0.039 0.000 0.645 64 D CB -0.829 40.017 40.800 0.078 0.000 1.039 64 D HN 1.155 nan 8.370 nan 0.000 0.423 65 G N -0.147 108.647 108.800 -0.010 0.000 2.189 65 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 65 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 65 G C 0.201 175.091 174.900 -0.016 0.000 0.975 65 G CA 0.788 45.878 45.100 -0.017 0.000 0.644 65 G HN 0.643 nan 8.290 nan 0.000 0.537 66 Q N -0.003 119.786 119.800 -0.018 0.000 2.307 66 Q HA 0.644 4.984 4.340 -0.000 0.000 0.262 66 Q C 0.341 176.327 176.000 -0.023 0.000 0.961 66 Q CA -1.038 54.757 55.803 -0.014 0.000 0.882 66 Q CB 0.647 29.380 28.738 -0.009 0.000 1.264 66 Q HN 0.381 nan 8.270 nan 0.000 0.446 67 I N 4.642 125.205 120.570 -0.011 0.000 2.598 67 I HA -0.057 4.113 4.170 -0.000 0.000 0.284 67 I C 1.119 177.241 176.117 0.008 0.000 1.140 67 I CA -0.010 61.282 61.300 -0.013 0.000 1.420 67 I CB 0.957 38.955 38.000 -0.003 0.000 1.387 67 I HN 0.658 nan 8.210 nan 0.000 0.553 68 V N 3.856 123.773 119.914 0.005 0.000 3.661 68 V HA 0.403 4.523 4.120 -0.000 0.000 0.271 68 V C 0.332 176.459 176.094 0.055 0.000 1.315 68 V CA -0.002 62.334 62.300 0.060 0.000 1.072 68 V CB 0.246 32.145 31.823 0.127 0.000 0.830 68 V HN 0.777 nan 8.190 nan 0.000 0.443 69 M N 0.470 120.079 119.600 0.015 0.000 2.426 69 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 69 M C -1.741 174.553 176.300 -0.010 0.000 1.168 69 M CA 0.028 55.340 55.300 0.019 0.000 0.933 69 M CB 2.394 35.009 32.600 0.025 0.000 1.750 69 M HN 0.102 nan 8.290 nan 0.000 0.494 70 T N 2.673 117.247 114.554 0.033 0.000 2.812 70 T HA 0.854 5.204 4.350 -0.000 0.000 0.282 70 T C -0.174 174.575 174.700 0.081 0.000 0.990 70 T CA -0.335 61.789 62.100 0.040 0.000 0.960 70 T CB 1.616 70.523 68.868 0.064 0.000 0.948 70 T HN 0.875 nan 8.240 nan 0.000 0.438 71 G N 1.842 110.695 108.800 0.089 0.000 2.588 71 G HA2 0.649 4.609 3.960 -0.000 0.000 0.281 71 G HA3 0.649 4.609 3.960 -0.000 0.000 0.281 71 G C -2.160 172.836 174.900 0.160 0.000 1.223 71 G CA -0.632 44.560 45.100 0.154 0.000 0.871 71 G HN 0.592 nan 8.290 nan 0.000 0.492 72 I N 0.459 121.137 120.570 0.179 0.000 2.569 72 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 72 I C -0.235 175.985 176.117 0.172 0.000 1.088 72 I CA -0.412 60.958 61.300 0.116 0.000 1.047 72 I CB 2.174 40.148 38.000 -0.043 0.000 1.237 72 I HN 0.385 nan 8.210 nan 0.000 0.421 73 I N 5.016 125.702 120.570 0.194 0.000 2.505 73 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 73 I C 1.403 177.524 176.117 0.008 0.000 1.104 73 I CA 0.409 61.803 61.300 0.158 0.000 1.387 73 I CB 0.662 38.754 38.000 0.153 0.000 1.404 73 I HN 0.914 nan 8.210 nan 0.000 0.528 74 G N 4.492 113.238 108.800 -0.089 0.000 2.492 74 G HA2 0.043 4.003 3.960 -0.000 0.000 0.214 74 G HA3 0.043 4.003 3.960 -0.000 0.000 0.214 74 G C 0.403 175.261 174.900 -0.070 0.000 1.147 74 G CA 0.565 45.601 45.100 -0.106 0.000 0.809 74 G HN 0.627 nan 8.290 nan 0.000 0.533 75 S N -1.654 114.008 115.700 -0.062 0.000 2.547 75 S HA 0.636 5.106 4.470 -0.000 0.000 0.270 75 S C -1.462 173.139 174.600 0.001 0.000 1.150 75 S CA -0.746 57.435 58.200 -0.032 0.000 0.850 75 S CB 2.388 65.559 63.200 -0.048 0.000 1.118 75 S HN 0.248 nan 8.310 nan 0.000 0.461 76 Q N 0.609 120.422 119.800 0.022 0.000 2.315 76 Q HA 0.608 4.948 4.340 -0.000 0.000 0.273 76 Q C -1.703 174.333 176.000 0.061 0.000 1.053 76 Q CA -0.622 55.213 55.803 0.053 0.000 0.817 76 Q CB 1.770 30.542 28.738 0.057 0.000 1.326 76 Q HN 0.800 nan 8.270 nan 0.000 0.423 77 R N 1.838 122.389 120.500 0.085 0.000 2.621 77 R HA 0.405 4.745 4.340 -0.000 0.000 0.292 77 R C -1.178 175.216 176.300 0.157 0.000 0.969 77 R CA -0.729 55.425 56.100 0.091 0.000 0.887 77 R CB 1.837 32.170 30.300 0.056 0.000 1.180 77 R HN 0.510 nan 8.270 nan 0.000 0.450 78 H N 1.171 120.267 119.070 0.044 0.000 2.505 78 H HA 0.518 5.074 4.556 -0.000 0.000 0.338 78 H C -1.021 174.330 175.328 0.037 0.000 1.057 78 H CA -0.672 55.403 56.048 0.046 0.000 1.202 78 H CB 1.868 31.655 29.762 0.042 0.000 1.466 78 H HN 0.847 nan 8.280 nan 0.000 0.499 79 G N 3.944 112.451 108.800 -0.488 0.000 2.617 79 G HA2 0.419 4.379 3.960 -0.000 0.000 0.306 79 G HA3 0.419 4.379 3.960 -0.000 0.000 0.306 79 G C -1.371 173.262 174.900 -0.445 0.000 1.360 79 G CA -0.675 44.216 45.100 -0.348 0.000 0.983 79 G HN 0.524 nan 8.290 nan 0.000 0.496 80 K N 0.493 120.733 120.400 -0.267 0.000 2.482 80 K HA 0.659 4.979 4.320 -0.000 0.000 0.251 80 K C -0.512 176.047 176.600 -0.067 0.000 0.936 80 K CA -0.586 55.612 56.287 -0.149 0.000 0.791 80 K CB 2.191 34.646 32.500 -0.075 0.000 1.213 80 K HN 0.745 nan 8.250 nan 0.000 0.428 81 S N 1.491 117.167 115.700 -0.040 0.000 2.806 81 S HA 0.506 4.975 4.470 -0.000 0.000 0.306 81 S C -1.079 173.516 174.600 -0.007 0.000 1.167 81 S CA -1.119 57.070 58.200 -0.019 0.000 0.847 81 S CB 1.176 64.365 63.200 -0.018 0.000 1.216 81 S HN 0.224 nan 8.310 nan 0.000 0.532 82 K N 0.938 121.337 120.400 -0.002 0.000 2.379 82 K HA 0.502 4.822 4.320 -0.000 0.000 0.284 82 K C 1.230 177.831 176.600 0.002 0.000 1.044 82 K CA 1.007 57.295 56.287 0.002 0.000 0.974 82 K CB 0.059 32.561 32.500 0.003 0.000 0.962 82 K HN 1.285 nan 8.250 nan 0.000 0.474 83 G N 1.840 110.643 108.800 0.005 0.000 2.241 83 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 83 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 83 G C -0.252 174.652 174.900 0.007 0.000 0.998 83 G CA 0.313 45.416 45.100 0.006 0.000 0.621 83 G HN 0.638 nan 8.290 nan 0.000 0.519 84 S N -0.663 115.039 115.700 0.003 0.000 2.541 84 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 84 S C -0.812 173.785 174.600 -0.005 0.000 1.133 84 S CA -0.993 57.209 58.200 0.004 0.000 0.876 84 S CB 2.390 65.591 63.200 0.001 0.000 1.105 84 S HN 0.616 nan 8.310 nan 0.000 0.470 85 R N 0.549 121.055 120.500 0.011 0.000 2.575 85 R HA 0.664 5.004 4.340 -0.000 0.000 0.293 85 R C -1.306 175.011 176.300 0.029 0.000 0.983 85 R CA -0.590 55.511 56.100 0.001 0.000 0.887 85 R CB 2.248 32.619 30.300 0.118 0.000 1.184 85 R HN 0.753 nan 8.270 nan 0.000 0.445 86 E N 2.549 122.733 120.200 -0.027 0.000 2.241 86 E HA 0.295 4.645 4.350 -0.000 0.000 0.263 86 E C -1.743 174.935 176.600 0.130 0.000 0.882 86 E CA -0.876 55.561 56.400 0.061 0.000 0.769 86 E CB 1.659 31.379 29.700 0.033 0.000 1.185 86 E HN 0.289 nan 8.360 nan 0.000 0.415 87 L N 3.840 125.209 121.223 0.243 0.000 2.313 87 L HA 0.641 4.981 4.340 -0.000 0.000 0.283 87 L C -1.098 175.936 176.870 0.274 0.000 1.013 87 L CA -0.112 54.904 54.840 0.293 0.000 0.816 87 L CB 1.522 43.756 42.059 0.291 0.000 1.236 87 L HN 0.502 nan 8.230 nan 0.000 0.419 88 S N 5.203 121.035 115.700 0.219 0.000 2.568 88 S HA 0.876 5.346 4.470 -0.000 0.000 0.293 88 S C -0.916 173.787 174.600 0.172 0.000 1.089 88 S CA -0.880 57.444 58.200 0.208 0.000 0.945 88 S CB 1.518 64.801 63.200 0.139 0.000 1.077 88 S HN 0.651 nan 8.310 nan 0.000 0.485 89 L N 1.731 123.061 121.223 0.179 0.000 2.408 89 L HA 0.708 5.048 4.340 -0.000 0.000 0.268 89 L C -0.556 176.381 176.870 0.112 0.000 0.986 89 L CA -0.575 54.358 54.840 0.154 0.000 0.820 89 L CB 2.387 44.570 42.059 0.206 0.000 1.303 89 L HN 0.791 nan 8.230 nan 0.000 0.411 90 S N 0.415 116.093 115.700 -0.036 0.000 2.632 90 S HA 0.981 5.451 4.470 -0.000 0.000 0.289 90 S C -0.235 174.004 174.600 -0.602 0.000 1.115 90 S CA -0.582 57.430 58.200 -0.314 0.000 0.889 90 S CB 2.533 65.575 63.200 -0.263 0.000 1.116 90 S HN 0.944 nan 8.310 nan 0.000 0.486 91 G N 0.453 108.497 108.800 -1.260 0.000 2.430 91 G HA2 0.610 4.569 3.960 -0.000 0.000 0.300 91 G HA3 0.610 4.569 3.960 -0.000 0.000 0.300 91 G C -2.099 172.203 174.900 -0.996 0.000 1.330 91 G CA -0.859 43.562 45.100 -1.131 0.000 0.813 91 G HN 0.603 nan 8.290 nan 0.000 0.487 92 R N -0.267 119.976 120.500 -0.428 0.000 2.867 92 R HA 0.494 4.834 4.340 -0.000 0.000 0.268 92 R C -0.679 175.625 176.300 0.007 0.000 1.014 92 R CA -0.829 55.150 56.100 -0.202 0.000 0.946 92 R CB 1.841 31.993 30.300 -0.247 0.000 1.208 92 R HN 0.781 nan 8.270 nan 0.000 0.477 93 D N 0.640 121.045 120.400 0.008 0.000 2.380 93 D HA -0.026 4.614 4.640 -0.000 0.000 0.254 93 D C 1.027 177.309 176.300 -0.030 0.000 1.288 93 D CA -0.211 53.811 54.000 0.037 0.000 1.008 93 D CB 0.538 41.362 40.800 0.039 0.000 1.099 93 D HN 0.439 nan 8.370 nan 0.000 0.537 94 L N -0.560 120.694 121.223 0.050 0.000 2.465 94 L HA -0.004 4.336 4.340 -0.000 0.000 0.224 94 L C 2.443 179.345 176.870 0.052 0.000 1.145 94 L CA 0.879 55.798 54.840 0.133 0.000 0.834 94 L CB -0.623 41.577 42.059 0.234 0.000 0.944 94 L HN 0.533 nan 8.230 nan 0.000 0.451 95 A N 0.792 123.566 122.820 -0.075 0.000 2.019 95 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 95 A C 2.440 179.830 177.584 -0.323 0.000 1.164 95 A CA 1.475 53.358 52.037 -0.257 0.000 0.644 95 A CB -1.017 17.572 19.000 -0.686 0.000 0.805 95 A HN 0.438 nan 8.150 nan 0.000 0.449 96 G N -0.541 108.069 108.800 -0.317 0.000 2.505 96 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 96 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 96 G C 1.295 175.981 174.900 -0.357 0.000 1.145 96 G CA 1.312 46.197 45.100 -0.359 0.000 0.761 96 G HN 0.451 nan 8.290 nan 0.000 0.571 97 F N 0.797 120.565 119.950 -0.303 0.000 2.065 97 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 97 F C 2.740 178.182 175.800 -0.597 0.000 1.112 97 F CA 1.035 58.742 58.000 -0.488 0.000 1.212 97 F CB -0.576 37.870 39.000 -0.923 0.000 0.975 97 F HN 0.029 nan 8.300 nan 0.000 0.476 98 L N -0.922 120.089 121.223 -0.353 0.000 2.093 98 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 98 L C 2.342 179.232 176.870 0.034 0.000 1.085 98 L CA 0.778 55.503 54.840 -0.192 0.000 0.755 98 L CB -1.057 41.085 42.059 0.139 0.000 0.904 98 L HN 0.030 nan 8.230 nan 0.000 0.435 99 V N 0.037 119.934 119.914 -0.029 0.000 2.407 99 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 99 V C 2.026 178.116 176.094 -0.007 0.000 1.055 99 V CA 1.788 64.076 62.300 -0.020 0.000 1.049 99 V CB -0.419 31.290 31.823 -0.190 0.000 0.662 99 V HN 0.412 nan 8.190 nan 0.000 0.455 100 D N -1.153 119.223 120.400 -0.039 0.000 2.162 100 D HA 0.021 4.661 4.640 -0.000 0.000 0.205 100 D C 0.978 177.318 176.300 0.067 0.000 0.964 100 D CA 0.606 54.605 54.000 -0.001 0.000 0.847 100 D CB -0.151 40.638 40.800 -0.020 0.000 0.988 100 D HN 0.414 nan 8.370 nan 0.000 0.480 101 C N 0.184 119.542 119.300 0.098 0.000 2.347 101 C HA 0.568 5.028 4.460 -0.000 0.000 0.366 101 C C 0.879 175.992 174.990 0.204 0.000 1.241 101 C CA -0.727 58.418 59.018 0.212 0.000 2.360 101 C CB 1.322 29.322 27.740 0.433 0.000 2.290 101 C HN 0.052 nan 8.230 nan 0.000 0.587 102 S N 0.566 116.403 115.700 0.229 0.000 2.541 102 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 102 S C 0.158 174.872 174.600 0.192 0.000 1.196 102 S CA -0.413 57.889 58.200 0.170 0.000 1.062 102 S CB 0.897 64.168 63.200 0.119 0.000 1.009 102 S HN 0.942 nan 8.310 nan 0.000 0.502 103 A N 4.820 127.723 122.820 0.138 0.000 2.445 103 A HA 0.511 4.831 4.320 -0.000 0.000 0.242 103 A C -2.201 175.435 177.584 0.087 0.000 1.075 103 A CA -0.884 51.224 52.037 0.118 0.000 0.777 103 A CB -0.613 18.426 19.000 0.066 0.000 1.013 103 A HN 0.549 nan 8.150 nan 0.000 0.493 104 P HA 0.198 nan 4.420 nan 0.000 0.275 104 P C -0.516 176.797 177.300 0.020 0.000 1.266 104 P CA -0.344 62.777 63.100 0.036 0.000 0.793 104 P CB 0.386 32.099 31.700 0.022 0.000 1.074 105 Q N 0.455 120.261 119.800 0.009 0.000 3.008 105 Q HA 0.250 4.590 4.340 -0.000 0.000 0.307 105 Q C -0.560 175.439 176.000 -0.003 0.000 1.273 105 Q CA -0.639 55.165 55.803 0.001 0.000 1.091 105 Q CB -0.587 28.151 28.738 -0.000 0.000 1.393 105 Q HN 0.321 nan 8.270 nan 0.000 0.521 106 L N 1.604 122.826 121.223 -0.003 0.000 2.426 106 L HA 0.194 4.534 4.340 -0.000 0.000 0.271 106 L C -0.071 176.793 176.870 -0.009 0.000 1.169 106 L CA 0.299 55.136 54.840 -0.006 0.000 0.836 106 L CB 0.580 42.636 42.059 -0.004 0.000 1.112 106 L HN 0.166 nan 8.230 nan 0.000 0.465 107 N N 3.584 122.278 118.700 -0.009 0.000 2.421 107 N HA 0.155 4.895 4.740 -0.000 0.000 0.285 107 N C -0.091 175.411 175.510 -0.012 0.000 1.027 107 N CA -0.284 52.761 53.050 -0.009 0.000 0.918 107 N CB 1.865 40.348 38.487 -0.006 0.000 1.152 107 N HN 0.568 nan 8.380 nan 0.000 0.485 108 V N 3.269 123.176 119.914 -0.013 0.000 3.621 108 V HA 0.144 4.264 4.120 -0.000 0.000 0.285 108 V C 0.164 176.245 176.094 -0.023 0.000 1.346 108 V CA 0.283 62.572 62.300 -0.019 0.000 1.104 108 V CB -0.347 31.463 31.823 -0.021 0.000 0.913 108 V HN 0.551 nan 8.190 nan 0.000 0.432 109 K N 0.940 121.328 120.400 -0.019 0.000 2.201 109 K HA 0.527 4.847 4.320 -0.000 0.000 0.278 109 K C 0.377 176.962 176.600 -0.025 0.000 1.027 109 K CA -0.077 56.196 56.287 -0.024 0.000 0.909 109 K CB 1.355 33.844 32.500 -0.018 0.000 1.062 109 K HN 0.185 nan 8.250 nan 0.000 0.465 110 G N 4.405 113.186 108.800 -0.031 0.000 3.286 110 G HA2 0.191 4.151 3.960 -0.000 0.000 0.303 110 G HA3 0.191 4.151 3.960 -0.000 0.000 0.303 110 G C 0.047 174.926 174.900 -0.035 0.000 0.974 110 G CA -0.709 44.369 45.100 -0.037 0.000 1.635 110 G HN 0.514 nan 8.290 nan 0.000 0.535 111 M N 1.718 121.298 119.600 -0.033 0.000 2.284 111 M HA 0.039 4.519 4.480 -0.000 0.000 0.351 111 M C 1.037 177.311 176.300 -0.044 0.000 1.443 111 M CA 0.301 55.580 55.300 -0.035 0.000 1.031 111 M CB 0.094 32.675 32.600 -0.032 0.000 1.893 111 M HN 0.219 nan 8.290 nan 0.000 0.456 112 T N 2.142 116.668 114.554 -0.046 0.000 2.882 112 T HA -0.086 4.264 4.350 -0.000 0.000 0.330 112 T C 1.251 175.914 174.700 -0.062 0.000 1.075 112 T CA -0.099 61.968 62.100 -0.055 0.000 1.129 112 T CB 0.708 69.545 68.868 -0.052 0.000 1.071 112 T HN 0.631 nan 8.240 nan 0.000 0.531 113 V N 3.287 123.156 119.914 -0.075 0.000 2.427 113 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 113 V C 2.141 178.184 176.094 -0.086 0.000 1.051 113 V CA 1.585 63.834 62.300 -0.087 0.000 1.048 113 V CB -0.420 31.339 31.823 -0.106 0.000 0.666 113 V HN 0.750 nan 8.190 nan 0.000 0.456 114 L N 0.355 121.529 121.223 -0.082 0.000 2.083 114 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 114 L C 1.984 178.819 176.870 -0.058 0.000 1.083 114 L CA 2.234 57.029 54.840 -0.075 0.000 0.752 114 L CB -0.960 41.059 42.059 -0.068 0.000 0.899 114 L HN 0.352 nan 8.230 nan 0.000 0.433 115 D N -0.452 119.918 120.400 -0.050 0.000 2.162 115 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 115 D C 2.208 178.487 176.300 -0.036 0.000 0.967 115 D CA 1.297 55.274 54.000 -0.038 0.000 0.840 115 D CB -0.114 40.666 40.800 -0.035 0.000 0.972 115 D HN 0.420 nan 8.370 nan 0.000 0.482 116 A N 0.856 123.651 122.820 -0.042 0.000 2.019 116 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 116 A C 2.210 179.769 177.584 -0.041 0.000 1.164 116 A CA 1.881 53.895 52.037 -0.038 0.000 0.644 116 A CB -0.439 18.535 19.000 -0.044 0.000 0.805 116 A HN 0.223 nan 8.150 nan 0.000 0.449 117 A N -0.151 122.635 122.820 -0.056 0.000 1.874 117 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 117 A C 2.072 179.643 177.584 -0.021 0.000 1.189 117 A CA 1.546 53.547 52.037 -0.060 0.000 0.615 117 A CB -0.377 18.566 19.000 -0.094 0.000 0.830 117 A HN 0.483 nan 8.150 nan 0.000 0.443 118 K N -0.221 120.167 120.400 -0.021 0.000 2.074 118 K HA -0.229 4.090 4.320 -0.000 0.000 0.209 118 K C 2.183 178.789 176.600 0.011 0.000 1.048 118 K CA 1.876 58.162 56.287 -0.003 0.000 0.926 118 K CB -0.122 32.371 32.500 -0.013 0.000 0.713 118 K HN 0.366 nan 8.250 nan 0.000 0.444 119 K N 1.441 121.842 120.400 0.002 0.000 1.985 119 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 119 K C 1.820 178.440 176.600 0.033 0.000 1.047 119 K CA 1.400 57.690 56.287 0.005 0.000 0.932 119 K CB -0.379 32.118 32.500 -0.005 0.000 0.716 119 K HN 0.034 nan 8.250 nan 0.000 0.439 120 L N 0.045 121.298 121.223 0.050 0.000 2.191 120 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 120 L C 2.237 179.249 176.870 0.238 0.000 1.103 120 L CA 1.222 56.131 54.840 0.114 0.000 0.769 120 L CB -0.395 41.708 42.059 0.073 0.000 0.908 120 L HN 0.307 nan 8.230 nan 0.000 0.438 121 A N -0.630 122.307 122.820 0.195 0.000 2.178 121 A HA 0.240 4.560 4.320 -0.000 0.000 0.211 121 A C 2.471 180.202 177.584 0.245 0.000 1.157 121 A CA 0.790 53.005 52.037 0.297 0.000 0.780 121 A CB -0.309 18.798 19.000 0.180 0.000 0.828 121 A HN 0.303 nan 8.150 nan 0.000 0.476 122 A N 1.564 124.442 122.820 0.097 0.000 1.884 122 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 122 A C 0.174 177.689 177.584 -0.116 0.000 1.197 122 A CA 2.118 54.151 52.037 -0.006 0.000 0.637 122 A CB -1.849 17.128 19.000 -0.037 0.000 0.827 122 A HN 0.448 nan 8.150 nan 0.000 0.450 123 P HA -0.111 nan 4.420 nan 0.000 0.226 123 P C -0.091 176.681 177.300 -0.881 0.000 1.146 123 P CA 0.798 63.470 63.100 -0.713 0.000 0.773 123 P CB 0.006 30.957 31.700 -1.249 0.000 0.772 124 W N 0.549 121.780 121.300 -0.116 0.000 2.374 124 W HA 0.250 4.910 4.660 -0.000 0.000 0.302 124 W C -1.871 174.570 176.519 -0.129 0.000 0.942 124 W CA -1.825 55.399 57.345 -0.201 0.000 1.666 124 W CB 0.846 30.154 29.460 -0.254 0.000 1.593 124 W HN 0.089 nan 8.180 nan 0.000 0.412 125 P HA -0.241 nan 4.420 nan 0.000 0.225 125 P C 1.704 179.025 177.300 0.035 0.000 1.148 125 P CA 1.572 64.673 63.100 0.002 0.000 0.779 125 P CB 0.212 31.890 31.700 -0.037 0.000 0.780 126 Q N 0.429 120.254 119.800 0.041 0.000 2.173 126 Q HA -0.144 4.196 4.340 -0.000 0.000 0.208 126 Q C 1.061 177.125 176.000 0.107 0.000 0.989 126 Q CA 1.065 56.911 55.803 0.073 0.000 0.872 126 Q CB -1.344 27.436 28.738 0.069 0.000 0.909 126 Q HN 0.350 nan 8.270 nan 0.000 0.420 127 I N 2.363 123.010 120.570 0.129 0.000 2.329 127 I HA 0.043 4.213 4.170 -0.000 0.000 0.295 127 I C 1.090 177.260 176.117 0.089 0.000 1.109 127 I CA 0.065 61.441 61.300 0.127 0.000 1.297 127 I CB 0.510 38.607 38.000 0.162 0.000 1.433 127 I HN 0.020 nan 8.210 nan 0.000 0.509 128 K N 4.674 125.117 120.400 0.071 0.000 2.393 128 K HA 0.376 4.696 4.320 -0.000 0.000 0.193 128 K C 0.357 176.981 176.600 0.040 0.000 1.026 128 K CA 0.055 56.372 56.287 0.050 0.000 1.064 128 K CB 0.511 33.038 32.500 0.045 0.000 0.833 128 K HN 0.695 nan 8.250 nan 0.000 0.521 129 A N 0.528 123.374 122.820 0.044 0.000 2.574 129 A HA 0.551 4.871 4.320 -0.000 0.000 0.297 129 A C -1.321 176.277 177.584 0.025 0.000 1.062 129 A CA -0.688 51.367 52.037 0.030 0.000 0.686 129 A CB 1.636 20.652 19.000 0.027 0.000 1.285 129 A HN -0.091 nan 8.150 nan 0.000 0.403 130 V N 1.462 121.380 119.914 0.008 0.000 2.448 130 V HA 0.682 4.802 4.120 -0.000 0.000 0.295 130 V C -0.363 175.712 176.094 -0.033 0.000 1.025 130 V CA -0.564 61.727 62.300 -0.015 0.000 0.859 130 V CB 1.332 33.146 31.823 -0.015 0.000 0.988 130 V HN 0.755 nan 8.190 nan 0.000 0.431 131 V N 4.966 124.845 119.914 -0.059 0.000 2.914 131 V HA 0.566 4.686 4.120 -0.000 0.000 0.314 131 V C -0.826 175.208 176.094 -0.101 0.000 1.084 131 V CA -0.784 61.482 62.300 -0.056 0.000 0.963 131 V CB 2.378 34.186 31.823 -0.026 0.000 1.025 131 V HN 0.723 nan 8.190 nan 0.000 0.432 132 L N 3.452 124.626 121.223 -0.081 0.000 2.296 132 L HA 0.635 4.975 4.340 -0.000 0.000 0.286 132 L C -0.186 176.641 176.870 -0.071 0.000 1.023 132 L CA -0.127 54.647 54.840 -0.110 0.000 0.812 132 L CB 1.284 43.279 42.059 -0.106 0.000 1.223 132 L HN 0.520 nan 8.230 nan 0.000 0.421 133 K N 4.146 124.495 120.400 -0.085 0.000 2.655 133 K HA 0.803 5.123 4.320 -0.000 0.000 0.213 133 K C -1.185 175.373 176.600 -0.070 0.000 1.126 133 K CA 0.136 56.469 56.287 0.078 0.000 1.076 133 K CB 0.698 33.302 32.500 0.173 0.000 1.644 133 K HN 0.685 nan 8.250 nan 0.000 0.523 134 A N 0.198 122.810 122.820 -0.346 0.000 2.608 134 A HA 0.373 4.693 4.320 -0.000 0.000 0.292 134 A C 0.179 177.399 177.584 -0.606 0.000 1.066 134 A CA -0.604 50.987 52.037 -0.744 0.000 0.676 134 A CB 0.896 19.650 19.000 -0.410 0.000 1.277 134 A HN 0.216 nan 8.150 nan 0.000 0.413 135 E N 0.664 120.488 120.200 -0.627 0.000 2.072 135 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 135 E C -0.037 176.457 176.600 -0.177 0.000 0.985 135 E CA 1.071 57.299 56.400 -0.287 0.000 0.801 135 E CB 0.068 29.656 29.700 -0.187 0.000 0.750 135 E HN 0.587 nan 8.360 nan 0.000 0.452 136 N N 0.959 119.544 118.700 -0.192 0.000 2.292 136 N HA 0.112 4.852 4.740 -0.000 0.000 0.303 136 N C -0.702 174.725 175.510 -0.139 0.000 1.140 136 N CA -0.436 52.532 53.050 -0.136 0.000 0.788 136 N CB 1.411 39.827 38.487 -0.119 0.000 1.361 136 N HN -0.094 nan 8.380 nan 0.000 0.489 137 N N 1.700 120.336 118.700 -0.107 0.000 2.918 137 N HA 0.246 4.986 4.740 -0.000 0.000 0.270 137 N C -2.664 172.793 175.510 -0.089 0.000 1.536 137 N CA -1.602 51.388 53.050 -0.100 0.000 0.877 137 N CB 0.420 38.858 38.487 -0.083 0.000 1.190 137 N HN 0.322 nan 8.380 nan 0.000 0.492 138 P HA 0.129 nan 4.420 nan 0.000 0.268 138 P C -0.398 176.857 177.300 -0.076 0.000 1.205 138 P CA -0.342 62.706 63.100 -0.087 0.000 0.771 138 P CB 0.765 32.407 31.700 -0.097 0.000 0.858 139 A N 4.460 127.240 122.820 -0.066 0.000 2.520 139 A HA 0.188 4.508 4.320 -0.000 0.000 0.245 139 A C 0.478 178.025 177.584 -0.062 0.000 1.072 139 A CA -0.150 51.852 52.037 -0.059 0.000 0.761 139 A CB -0.413 18.555 19.000 -0.053 0.000 1.004 139 A HN 0.474 nan 8.150 nan 0.000 0.499 140 L N 2.667 123.856 121.223 -0.057 0.000 2.418 140 L HA 0.394 4.734 4.340 -0.000 0.000 0.265 140 L C 1.371 178.212 176.870 -0.049 0.000 1.143 140 L CA 0.807 55.615 54.840 -0.054 0.000 0.809 140 L CB 0.590 42.621 42.059 -0.046 0.000 1.124 140 L HN 0.902 nan 8.230 nan 0.000 0.456 141 G N 1.522 110.294 108.800 -0.047 0.000 2.546 141 G HA2 0.137 4.096 3.960 -0.000 0.000 0.239 141 G HA3 0.137 4.096 3.960 -0.000 0.000 0.239 141 G C -0.259 174.627 174.900 -0.024 0.000 1.476 141 G CA -0.432 44.642 45.100 -0.043 0.000 1.064 141 G HN 0.568 nan 8.290 nan 0.000 0.561 142 K N 0.286 120.679 120.400 -0.012 0.000 2.284 142 K HA 0.313 4.633 4.320 -0.000 0.000 0.287 142 K C -0.705 175.915 176.600 0.033 0.000 1.081 142 K CA -0.303 55.990 56.287 0.011 0.000 0.910 142 K CB 0.189 32.705 32.500 0.026 0.000 1.088 142 K HN 0.081 nan 8.250 nan 0.000 0.478 143 I N 4.252 124.843 120.570 0.036 0.000 2.354 143 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 143 I C -0.583 175.551 176.117 0.028 0.000 1.007 143 I CA -0.629 60.716 61.300 0.075 0.000 1.167 143 I CB 1.407 39.467 38.000 0.100 0.000 1.320 143 I HN 0.623 nan 8.210 nan 0.000 0.458 144 D N 7.773 128.189 120.400 0.027 0.000 2.396 144 D HA 0.417 5.057 4.640 -0.000 0.000 0.225 144 D C 0.046 176.271 176.300 -0.125 0.000 1.121 144 D CA -0.095 53.893 54.000 -0.020 0.000 0.853 144 D CB 1.253 42.064 40.800 0.018 0.000 1.043 144 D HN 0.392 nan 8.370 nan 0.000 0.500 145 I N -0.199 120.286 120.570 -0.141 0.000 2.460 145 I HA 0.441 4.611 4.170 -0.000 0.000 0.298 145 I C 0.387 176.444 176.117 -0.101 0.000 0.989 145 I CA -1.038 60.141 61.300 -0.201 0.000 1.173 145 I CB 1.623 39.518 38.000 -0.176 0.000 1.338 145 I HN 0.114 nan 8.210 nan 0.000 0.456 146 E N 4.546 124.694 120.200 -0.088 0.000 2.266 146 E HA 0.376 4.726 4.350 -0.000 0.000 0.277 146 E C -2.323 174.268 176.600 -0.016 0.000 1.018 146 E CA -1.852 54.527 56.400 -0.035 0.000 0.840 146 E CB 1.185 30.874 29.700 -0.018 0.000 1.082 146 E HN 0.376 nan 8.360 nan 0.000 0.395 147 P HA -0.113 nan 4.420 nan 0.000 0.216 147 P C 1.202 178.515 177.300 0.022 0.000 1.150 147 P CA 1.369 64.475 63.100 0.009 0.000 0.837 147 P CB 0.014 31.721 31.700 0.012 0.000 0.786 148 G N -0.442 108.372 108.800 0.024 0.000 2.882 148 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.206 148 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.206 148 G C 0.381 175.306 174.900 0.042 0.000 1.155 148 G CA -0.075 45.046 45.100 0.035 0.000 0.800 148 G HN 0.285 nan 8.290 nan 0.000 0.524 149 E N 1.077 121.296 120.200 0.032 0.000 2.398 149 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 149 E C 0.675 177.314 176.600 0.064 0.000 1.046 149 E CA 0.048 56.471 56.400 0.037 0.000 0.908 149 E CB 0.694 30.394 29.700 0.000 0.000 0.963 149 E HN 0.287 nan 8.360 nan 0.000 0.431 150 T N -1.524 113.083 114.554 0.087 0.000 2.874 150 T HA 0.110 4.460 4.350 -0.000 0.000 0.281 150 T C 1.425 176.198 174.700 0.122 0.000 0.994 150 T CA -0.937 61.233 62.100 0.117 0.000 1.015 150 T CB 1.134 70.087 68.868 0.141 0.000 1.028 150 T HN 0.182 nan 8.240 nan 0.000 0.523 151 V N 0.512 120.514 119.914 0.146 0.000 2.324 151 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 151 V C 2.165 178.317 176.094 0.097 0.000 1.060 151 V CA 1.826 64.207 62.300 0.136 0.000 1.042 151 V CB -1.234 30.688 31.823 0.164 0.000 0.650 151 V HN 0.892 nan 8.190 nan 0.000 0.450 152 W N 0.681 121.976 121.300 -0.008 0.000 2.332 152 W HA -0.233 4.427 4.660 -0.000 0.000 0.321 152 W C 2.617 179.147 176.519 0.019 0.000 1.219 152 W CA 2.212 59.555 57.345 -0.004 0.000 1.277 152 W CB -0.394 29.062 29.460 -0.007 0.000 1.161 152 W HN 0.318 nan 8.180 nan 0.000 0.476 153 Q N -0.090 119.797 119.800 0.144 0.000 2.133 153 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 153 Q C 2.377 178.375 176.000 -0.004 0.000 0.991 153 Q CA 2.451 58.300 55.803 0.078 0.000 0.867 153 Q CB -0.643 28.158 28.738 0.105 0.000 0.911 153 Q HN 0.278 nan 8.270 nan 0.000 0.417 154 A N 0.290 123.094 122.820 -0.028 0.000 1.930 154 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 154 A C 1.969 179.501 177.584 -0.087 0.000 1.175 154 A CA 0.997 53.005 52.037 -0.048 0.000 0.627 154 A CB -0.468 18.514 19.000 -0.030 0.000 0.815 154 A HN 0.322 nan 8.150 nan 0.000 0.443 155 L N -0.257 120.845 121.223 -0.203 0.000 2.141 155 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 155 L C 2.477 179.127 176.870 -0.368 0.000 1.094 155 L CA 2.491 57.140 54.840 -0.319 0.000 0.763 155 L CB -0.881 40.863 42.059 -0.525 0.000 0.908 155 L HN 0.379 nan 8.230 nan 0.000 0.437 156 T N -2.143 112.169 114.554 -0.402 0.000 2.737 156 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 156 T C 1.711 176.342 174.700 -0.114 0.000 1.038 156 T CA 1.546 63.452 62.100 -0.324 0.000 1.144 156 T CB -0.378 68.361 68.868 -0.214 0.000 0.866 156 T HN 0.460 nan 8.240 nan 0.000 0.434 157 H N 0.851 119.848 119.070 -0.123 0.000 2.252 157 H HA -0.078 4.478 4.556 -0.000 0.000 0.292 157 H C 2.105 177.380 175.328 -0.088 0.000 1.082 157 H CA 2.042 58.047 56.048 -0.072 0.000 1.229 157 H CB -0.459 29.274 29.762 -0.050 0.000 1.353 157 H HN 0.256 nan 8.280 nan 0.000 0.488 158 I N -0.033 120.571 120.570 0.056 0.000 2.118 158 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 158 I C 2.761 178.825 176.117 -0.088 0.000 1.070 158 I CA 1.301 62.589 61.300 -0.020 0.000 1.327 158 I CB -0.506 37.465 38.000 -0.048 0.000 1.034 158 I HN 0.441 nan 8.210 nan 0.000 0.405 159 A N 0.672 123.414 122.820 -0.130 0.000 1.908 159 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 159 A C 2.054 179.564 177.584 -0.124 0.000 1.181 159 A CA 2.186 54.135 52.037 -0.148 0.000 0.627 159 A CB -0.695 18.181 19.000 -0.207 0.000 0.818 159 A HN 0.433 nan 8.150 nan 0.000 0.445 160 N N 0.192 118.824 118.700 -0.113 0.000 2.270 160 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 160 N C 2.002 177.428 175.510 -0.139 0.000 1.016 160 N CA 1.528 54.518 53.050 -0.099 0.000 0.870 160 N CB -0.463 37.983 38.487 -0.068 0.000 0.979 160 N HN 0.631 nan 8.380 nan 0.000 0.431 161 S N 0.190 115.800 115.700 -0.149 0.000 2.402 161 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 161 S C 1.441 175.963 174.600 -0.130 0.000 1.030 161 S CA 1.465 59.581 58.200 -0.140 0.000 1.003 161 S CB -0.477 62.662 63.200 -0.102 0.000 0.813 161 S HN 0.132 nan 8.310 nan 0.000 0.477 162 V N -2.464 117.372 119.914 -0.130 0.000 3.043 162 V HA 0.723 4.843 4.120 -0.000 0.000 0.357 162 V C 1.236 177.238 176.094 -0.153 0.000 1.372 162 V CA -0.380 61.839 62.300 -0.134 0.000 1.214 162 V CB -0.915 30.832 31.823 -0.126 0.000 1.224 162 V HN 0.696 nan 8.190 nan 0.000 0.507 163 G N 1.064 109.767 108.800 -0.160 0.000 2.249 163 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.273 163 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.273 163 G C -0.194 174.576 174.900 -0.217 0.000 1.036 163 G CA 1.062 46.050 45.100 -0.187 0.000 0.824 163 G HN 0.583 nan 8.290 nan 0.000 0.504 164 L N -2.127 118.991 121.223 -0.175 0.000 2.235 164 L HA 0.912 5.252 4.340 -0.000 0.000 0.260 164 L C 0.072 176.917 176.870 -0.041 0.000 1.025 164 L CA -1.433 53.309 54.840 -0.163 0.000 0.836 164 L CB 2.157 44.123 42.059 -0.155 0.000 1.395 164 L HN 0.259 nan 8.230 nan 0.000 0.443 165 H N 0.047 119.080 119.070 -0.061 0.000 3.046 165 H HA 0.443 4.999 4.556 -0.000 0.000 0.363 165 H C -2.855 172.599 175.328 0.210 0.000 1.203 165 H CA -1.203 54.928 56.048 0.137 0.000 1.169 165 H CB 3.059 33.053 29.762 0.386 0.000 1.851 165 H HN 0.165 nan 8.280 nan 0.000 0.546 166 P HA 0.252 nan 4.420 nan 0.000 0.288 166 P C -1.434 176.220 177.300 0.589 0.000 1.267 166 P CA -0.352 62.692 63.100 -0.094 0.000 0.815 166 P CB 1.156 32.461 31.700 -0.658 0.000 0.989 167 W N 2.024 123.586 121.300 0.436 0.000 3.074 167 W HA 0.537 5.197 4.660 -0.000 0.000 0.332 167 W C -2.142 174.630 176.519 0.421 0.000 1.253 167 W CA -1.106 56.584 57.345 0.577 0.000 1.180 167 W CB 0.474 30.297 29.460 0.606 0.000 1.445 167 W HN -0.004 nan 8.180 nan 0.000 0.573 168 L N 2.956 124.512 121.223 0.556 0.000 2.326 168 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 168 L C 0.606 177.737 176.870 0.435 0.000 1.092 168 L CA -0.417 54.633 54.840 0.350 0.000 0.810 168 L CB 0.876 43.073 42.059 0.230 0.000 1.153 168 L HN 0.636 nan 8.230 nan 0.000 0.439 169 E N 4.152 124.543 120.200 0.319 0.000 2.314 169 E HA 0.187 4.537 4.350 -0.000 0.000 0.262 169 E C -1.579 175.132 176.600 0.186 0.000 1.093 169 E CA -1.621 54.958 56.400 0.298 0.000 0.908 169 E CB 0.840 30.688 29.700 0.247 0.000 1.091 169 E HN 0.348 nan 8.360 nan 0.000 0.425 170 P HA -0.216 nan 4.420 nan 0.000 0.216 170 P C 0.650 178.000 177.300 0.083 0.000 1.154 170 P CA 1.571 64.731 63.100 0.101 0.000 0.865 170 P CB 0.053 31.806 31.700 0.090 0.000 0.789 171 D N -2.156 118.296 120.400 0.087 0.000 2.336 171 D HA 0.075 4.715 4.640 -0.000 0.000 0.229 171 D C 1.317 177.664 176.300 0.079 0.000 1.061 171 D CA 0.648 54.690 54.000 0.070 0.000 0.875 171 D CB -0.946 39.892 40.800 0.063 0.000 0.904 171 D HN 0.276 nan 8.370 nan 0.000 0.525 172 G N -0.635 108.223 108.800 0.097 0.000 2.175 172 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 172 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 172 G C 0.331 175.295 174.900 0.106 0.000 0.982 172 G CA 0.187 45.350 45.100 0.106 0.000 0.641 172 G HN 0.445 nan 8.290 nan 0.000 0.527 173 T N 1.533 116.145 114.554 0.096 0.000 2.870 173 T HA 0.460 4.810 4.350 -0.000 0.000 0.300 173 T C 0.327 175.068 174.700 0.067 0.000 0.989 173 T CA -0.023 62.120 62.100 0.073 0.000 1.139 173 T CB 1.876 70.779 68.868 0.059 0.000 0.920 173 T HN 0.614 nan 8.240 nan 0.000 0.537 174 L N 5.643 126.894 121.223 0.048 0.000 2.331 174 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 174 L C -0.646 176.152 176.870 -0.120 0.000 1.106 174 L CA 0.021 54.871 54.840 0.018 0.000 0.824 174 L CB 0.552 42.645 42.059 0.055 0.000 1.142 174 L HN 0.411 nan 8.230 nan 0.000 0.443 175 V N 5.904 125.630 119.914 -0.314 0.000 2.513 175 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 175 V C -0.400 175.337 176.094 -0.596 0.000 1.035 175 V CA -0.704 61.264 62.300 -0.553 0.000 0.889 175 V CB 1.980 33.222 31.823 -0.969 0.000 0.988 175 V HN 0.539 nan 8.190 nan 0.000 0.440 176 V N 3.893 123.552 119.914 -0.425 0.000 2.459 176 V HA 1.003 5.123 4.120 -0.000 0.000 0.295 176 V C 0.555 176.452 176.094 -0.329 0.000 1.029 176 V CA 0.595 62.684 62.300 -0.350 0.000 0.874 176 V CB 1.126 32.807 31.823 -0.236 0.000 0.985 176 V HN 1.166 nan 8.190 nan 0.000 0.438 177 G N 2.901 111.549 108.800 -0.254 0.000 2.356 177 G HA2 0.702 4.662 3.960 -0.000 0.000 0.281 177 G HA3 0.702 4.662 3.960 -0.000 0.000 0.281 177 G C -0.539 174.411 174.900 0.083 0.000 1.246 177 G CA 0.253 45.291 45.100 -0.104 0.000 0.889 177 G HN 1.149 nan 8.290 nan 0.000 0.486 178 G N -1.635 107.272 108.800 0.178 0.000 2.606 178 G HA2 0.775 4.735 3.960 -0.000 0.000 0.300 178 G HA3 0.775 4.735 3.960 -0.000 0.000 0.300 178 G C -0.555 174.363 174.900 0.030 0.000 1.360 178 G CA 0.534 45.542 45.100 -0.154 0.000 0.783 178 G HN 1.837 nan 8.290 nan 0.000 0.484 179 A N -0.297 122.364 122.820 -0.265 0.000 2.388 179 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 179 A C -0.525 176.823 177.584 -0.394 0.000 1.095 179 A CA 0.020 51.834 52.037 -0.371 0.000 0.791 179 A CB 0.754 19.096 19.000 -1.096 0.000 1.029 179 A HN 0.497 nan 8.150 nan 0.000 0.489 180 D N 1.115 121.257 120.400 -0.431 0.000 2.454 180 D HA 0.397 5.037 4.640 -0.000 0.000 0.225 180 D C -0.409 175.641 176.300 -0.416 0.000 1.081 180 D CA -0.134 53.558 54.000 -0.513 0.000 0.864 180 D CB 0.187 40.563 40.800 -0.707 0.000 1.040 180 D HN 0.408 nan 8.370 nan 0.000 0.517 181 Y N 1.261 121.535 120.300 -0.043 0.000 2.490 181 Y HA 0.019 4.569 4.550 -0.000 0.000 0.281 181 Y C 2.392 178.286 175.900 -0.009 0.000 1.174 181 Y CA 0.234 58.327 58.100 -0.011 0.000 1.295 181 Y CB -0.079 38.360 38.460 -0.035 0.000 1.062 181 Y HN 0.384 nan 8.280 nan 0.000 0.522 182 S N -1.780 113.950 115.700 0.050 0.000 2.425 182 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 182 S C 0.998 175.607 174.600 0.015 0.000 1.024 182 S CA -0.025 58.191 58.200 0.027 0.000 0.951 182 S CB -0.472 62.725 63.200 -0.004 0.000 0.796 182 S HN 0.139 nan 8.310 nan 0.000 0.498 183 S N 4.613 120.307 115.700 -0.010 0.000 2.546 183 S HA 0.271 4.741 4.470 -0.000 0.000 0.290 183 S C -2.367 172.265 174.600 0.054 0.000 1.262 183 S CA -0.678 57.529 58.200 0.011 0.000 1.083 183 S CB 0.195 63.396 63.200 0.002 0.000 0.859 183 S HN 0.390 nan 8.310 nan 0.000 0.495 184 P HA 0.205 nan 4.420 nan 0.000 0.269 184 P C -2.385 174.964 177.300 0.080 0.000 1.209 184 P CA -1.105 62.028 63.100 0.055 0.000 0.776 184 P CB -0.419 31.304 31.700 0.039 0.000 0.876 185 P HA -0.072 nan 4.420 nan 0.000 0.267 185 P C 0.845 178.218 177.300 0.122 0.000 1.200 185 P CA 0.130 63.312 63.100 0.137 0.000 0.772 185 P CB 0.277 32.072 31.700 0.157 0.000 0.855 186 V N -0.703 119.291 119.914 0.134 0.000 3.506 186 V HA 0.541 4.661 4.120 -0.000 0.000 0.263 186 V C 0.522 176.666 176.094 0.085 0.000 1.203 186 V CA 0.909 63.258 62.300 0.082 0.000 1.133 186 V CB -0.894 30.953 31.823 0.039 0.000 0.802 186 V HN 0.614 nan 8.190 nan 0.000 0.459 187 A N -0.828 122.091 122.820 0.165 0.000 2.605 187 A HA 0.708 5.028 4.320 -0.000 0.000 0.294 187 A C -0.502 177.230 177.584 0.246 0.000 1.062 187 A CA -0.230 51.924 52.037 0.195 0.000 0.682 187 A CB 1.293 20.455 19.000 0.270 0.000 1.278 187 A HN 0.127 nan 8.150 nan 0.000 0.410 188 T N 2.157 116.838 114.554 0.212 0.000 2.791 188 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 188 T C -0.533 174.242 174.700 0.125 0.000 0.999 188 T CA -0.091 62.111 62.100 0.169 0.000 0.952 188 T CB 0.205 69.171 68.868 0.163 0.000 0.938 188 T HN 0.453 nan 8.240 nan 0.000 0.444 189 L N 3.461 124.743 121.223 0.099 0.000 2.325 189 L HA 0.801 5.141 4.340 -0.000 0.000 0.278 189 L C 0.218 177.114 176.870 0.043 0.000 1.023 189 L CA -0.966 53.928 54.840 0.090 0.000 0.811 189 L CB 1.443 43.556 42.059 0.090 0.000 1.249 189 L HN 0.801 nan 8.230 nan 0.000 0.431 190 c N 0.016 118.653 118.600 0.061 0.000 2.898 190 c HA 0.590 5.160 4.570 -0.000 0.000 0.304 190 c C -0.943 173.224 174.090 0.127 0.000 1.237 190 c CA -0.906 55.468 56.329 0.077 0.000 1.529 190 c CB 1.975 44.507 42.510 0.037 0.000 2.021 190 c HN 0.981 nan 8.230 nan 0.000 0.474 191 W N 2.697 123.993 121.300 -0.007 0.000 2.529 191 W HA 0.653 5.312 4.660 -0.000 0.000 0.321 191 W C -0.912 175.615 176.519 0.013 0.000 1.047 191 W CA -0.088 57.256 57.345 -0.001 0.000 1.216 191 W CB 1.842 31.300 29.460 -0.002 0.000 1.357 191 W HN 0.993 nan 8.180 nan 0.000 0.489 192 S N 5.011 120.200 115.700 -0.852 0.000 2.562 192 S HA 0.350 4.820 4.470 -0.000 0.000 0.274 192 S C 0.197 174.385 174.600 -0.686 0.000 1.160 192 S CA -0.596 57.259 58.200 -0.575 0.000 0.933 192 S CB 1.475 64.544 63.200 -0.218 0.000 1.100 192 S HN 0.690 nan 8.310 nan 0.000 0.468 193 R N 1.318 121.585 120.500 -0.388 0.000 2.299 193 R HA 0.099 4.439 4.340 -0.000 0.000 0.197 193 R C 1.519 177.733 176.300 -0.143 0.000 0.971 193 R CA 1.366 57.325 56.100 -0.235 0.000 1.030 193 R CB 0.080 30.364 30.300 -0.027 0.000 0.932 193 R HN 0.787 nan 8.270 nan 0.000 0.477 194 T N -4.493 109.986 114.554 -0.126 0.000 2.980 194 T HA 0.055 4.405 4.350 -0.000 0.000 0.252 194 T C 0.352 175.004 174.700 -0.080 0.000 0.962 194 T CA -0.410 61.644 62.100 -0.078 0.000 0.932 194 T CB 0.309 69.154 68.868 -0.037 0.000 1.188 194 T HN -0.169 nan 8.240 nan 0.000 0.500 195 D N 2.877 123.218 120.400 -0.098 0.000 2.365 195 D HA 0.295 4.935 4.640 -0.000 0.000 0.237 195 D C 1.468 177.707 176.300 -0.102 0.000 1.190 195 D CA 0.117 54.069 54.000 -0.079 0.000 0.867 195 D CB 1.626 42.392 40.800 -0.057 0.000 1.050 195 D HN 0.364 nan 8.370 nan 0.000 0.491 196 S N 3.935 119.590 115.700 -0.074 0.000 2.481 196 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 196 S C 1.561 176.130 174.600 -0.052 0.000 0.996 196 S CA 0.325 58.483 58.200 -0.070 0.000 0.942 196 S CB -0.031 63.140 63.200 -0.048 0.000 0.768 196 S HN 0.500 nan 8.310 nan 0.000 0.520 197 R N 0.040 120.517 120.500 -0.038 0.000 2.189 197 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 197 R C 0.253 176.541 176.300 -0.020 0.000 1.092 197 R CA 0.452 56.541 56.100 -0.018 0.000 0.989 197 R CB -0.693 29.604 30.300 -0.005 0.000 0.876 197 R HN 0.374 nan 8.270 nan 0.000 0.457 198 c N 2.134 120.701 118.600 -0.054 0.000 2.435 198 c HA 0.103 4.673 4.570 -0.000 0.000 0.375 198 c C 1.347 175.389 174.090 -0.081 0.000 1.281 198 c CA -0.737 55.553 56.329 -0.064 0.000 1.963 198 c CB 0.202 42.643 42.510 -0.115 0.000 2.490 198 c HN 0.606 nan 8.230 nan 0.000 0.557 199 N N 1.499 120.186 118.700 -0.022 0.000 2.181 199 N HA 0.161 4.901 4.740 -0.000 0.000 0.207 199 N C -0.198 175.330 175.510 0.031 0.000 1.182 199 N CA -0.263 52.792 53.050 0.007 0.000 0.893 199 N CB -0.050 38.472 38.487 0.057 0.000 1.032 199 N HN 0.632 nan 8.380 nan 0.000 0.513 200 I N 1.793 122.399 120.570 0.060 0.000 2.662 200 I HA -0.046 4.124 4.170 -0.000 0.000 0.285 200 I C 0.882 177.103 176.117 0.174 0.000 1.161 200 I CA 0.320 61.707 61.300 0.144 0.000 1.415 200 I CB 0.830 38.998 38.000 0.278 0.000 1.385 200 I HN 0.277 nan 8.210 nan 0.000 0.552 201 E N 5.311 125.597 120.200 0.142 0.000 2.250 201 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 201 E C 0.569 177.322 176.600 0.255 0.000 0.986 201 E CA 0.340 56.829 56.400 0.147 0.000 0.849 201 E CB 0.409 30.151 29.700 0.070 0.000 0.797 201 E HN 0.491 nan 8.360 nan 0.000 0.482 202 R N 0.514 121.126 120.500 0.188 0.000 2.536 202 R HA 0.365 4.705 4.340 -0.000 0.000 0.269 202 R C -1.893 174.371 176.300 -0.060 0.000 1.113 202 R CA -0.349 55.794 56.100 0.071 0.000 0.948 202 R CB 1.271 31.579 30.300 0.014 0.000 1.237 202 R HN -0.042 nan 8.270 nan 0.000 0.441 203 M N 3.962 123.437 119.600 -0.210 0.000 2.197 203 M HA 0.444 4.924 4.480 -0.000 0.000 0.301 203 M C -1.803 174.313 176.300 -0.307 0.000 0.987 203 M CA -0.450 54.672 55.300 -0.298 0.000 0.921 203 M CB 1.801 34.148 32.600 -0.421 0.000 1.569 203 M HN 0.605 nan 8.290 nan 0.000 0.431 204 D N 6.426 126.645 120.400 -0.301 0.000 2.492 204 D HA 0.513 5.153 4.640 -0.000 0.000 0.248 204 D C -0.839 175.216 176.300 -0.409 0.000 1.101 204 D CA -0.010 53.814 54.000 -0.294 0.000 0.840 204 D CB 1.994 42.651 40.800 -0.238 0.000 1.209 204 D HN 0.574 nan 8.370 nan 0.000 0.524 205 I N 1.273 121.580 120.570 -0.437 0.000 2.474 205 I HA 0.332 4.502 4.170 -0.000 0.000 0.294 205 I C 0.043 175.754 176.117 -0.677 0.000 1.005 205 I CA -0.712 60.150 61.300 -0.730 0.000 1.113 205 I CB 1.815 39.306 38.000 -0.849 0.000 1.289 205 I HN 0.064 nan 8.210 nan 0.000 0.436 206 E N 6.086 125.789 120.200 -0.829 0.000 2.224 206 E HA 0.426 4.776 4.350 -0.000 0.000 0.265 206 E C -1.666 174.648 176.600 -0.478 0.000 0.878 206 E CA -0.678 55.447 56.400 -0.459 0.000 0.759 206 E CB 2.444 31.962 29.700 -0.303 0.000 1.164 206 E HN 0.423 nan 8.360 nan 0.000 0.414 207 W N 2.291 123.563 121.300 -0.047 0.000 2.632 207 W HA 0.375 5.035 4.660 -0.000 0.000 0.328 207 W C -0.410 176.112 176.519 0.004 0.000 1.044 207 W CA -0.564 56.804 57.345 0.039 0.000 1.225 207 W CB 2.057 31.573 29.460 0.094 0.000 1.396 207 W HN 0.469 nan 8.180 nan 0.000 0.499 208 D N 1.258 121.796 120.400 0.231 0.000 2.936 208 D HA 0.138 4.778 4.640 -0.000 0.000 0.238 208 D C 0.349 176.686 176.300 0.062 0.000 1.248 208 D CA -0.207 53.855 54.000 0.103 0.000 0.903 208 D CB 2.194 43.022 40.800 0.046 0.000 1.544 208 D HN 0.354 nan 8.370 nan 0.000 0.543 209 T N 0.140 114.698 114.554 0.006 0.000 3.176 209 T HA 0.095 4.445 4.350 -0.000 0.000 0.263 209 T C 1.038 175.635 174.700 -0.172 0.000 1.021 209 T CA -0.277 61.785 62.100 -0.064 0.000 0.905 209 T CB 0.380 69.218 68.868 -0.049 0.000 1.057 209 T HN 0.200 nan 8.240 nan 0.000 0.558 210 D N 2.699 123.007 120.400 -0.153 0.000 2.133 210 D HA -0.120 4.520 4.640 -0.000 0.000 0.192 210 D C 0.942 176.965 176.300 -0.462 0.000 1.001 210 D CA 1.157 55.032 54.000 -0.208 0.000 0.844 210 D CB 0.015 40.739 40.800 -0.126 0.000 0.944 210 D HN 0.369 nan 8.370 nan 0.000 0.447 211 N N -0.042 118.303 118.700 -0.593 0.000 2.389 211 N HA 0.047 4.787 4.740 -0.000 0.000 0.260 211 N C -0.420 174.320 175.510 -1.284 0.000 1.191 211 N CA -0.086 52.259 53.050 -1.175 0.000 0.885 211 N CB 0.810 38.817 38.487 -0.800 0.000 1.162 211 N HN 0.100 nan 8.380 nan 0.000 0.512 212 R N 0.793 120.715 120.500 -0.964 0.000 2.215 212 R HA 0.310 4.650 4.340 -0.000 0.000 0.337 212 R C -1.043 174.901 176.300 -0.593 0.000 1.010 212 R CA -0.268 55.505 56.100 -0.545 0.000 0.871 212 R CB -0.011 30.158 30.300 -0.218 0.000 1.134 212 R HN -0.231 nan 8.270 nan 0.000 0.477 213 F N 1.200 121.117 119.950 -0.055 0.000 2.470 213 F HA 0.270 4.797 4.527 -0.000 0.000 0.329 213 F C 1.701 177.510 175.800 0.015 0.000 1.072 213 F CA -0.599 57.358 58.000 -0.072 0.000 0.989 213 F CB 1.981 40.899 39.000 -0.137 0.000 1.193 213 F HN 0.589 nan 8.300 nan 0.000 0.481 214 S N -0.027 115.762 115.700 0.147 0.000 2.348 214 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 214 S C 0.175 174.788 174.600 0.022 0.000 1.033 214 S CA 0.424 58.656 58.200 0.053 0.000 0.974 214 S CB -0.282 62.919 63.200 0.002 0.000 0.868 214 S HN 0.669 nan 8.310 nan 0.000 0.459 215 E N 0.102 120.304 120.200 0.004 0.000 2.288 215 E HA 0.671 5.021 4.350 -0.000 0.000 0.268 215 E C -1.872 174.719 176.600 -0.015 0.000 0.885 215 E CA -0.871 55.512 56.400 -0.028 0.000 0.767 215 E CB 2.593 32.249 29.700 -0.073 0.000 1.220 215 E HN 0.118 nan 8.360 nan 0.000 0.427 216 V N 1.738 121.660 119.914 0.013 0.000 2.525 216 V HA 0.295 4.415 4.120 -0.000 0.000 0.299 216 V C -0.273 175.643 176.094 -0.295 0.000 1.034 216 V CA -0.847 61.346 62.300 -0.178 0.000 0.863 216 V CB 1.763 33.520 31.823 -0.109 0.000 0.999 216 V HN 0.839 nan 8.190 nan 0.000 0.423 217 T N 1.814 116.162 114.554 -0.343 0.000 2.749 217 T HA 0.725 5.075 4.350 -0.000 0.000 0.287 217 T C -0.782 173.738 174.700 -0.300 0.000 0.970 217 T CA -0.304 61.660 62.100 -0.226 0.000 0.980 217 T CB 0.351 69.140 68.868 -0.132 0.000 0.924 217 T HN 0.175 nan 8.240 nan 0.000 0.456 218 F N 2.737 122.709 119.950 0.037 0.000 2.420 218 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 218 F C 0.154 175.978 175.800 0.039 0.000 1.113 218 F CA -1.222 56.823 58.000 0.076 0.000 1.059 218 F CB 1.345 40.471 39.000 0.211 0.000 1.128 218 F HN 0.373 nan 8.300 nan 0.000 0.475 219 L N 3.228 124.512 121.223 0.101 0.000 2.362 219 L HA 0.947 5.287 4.340 -0.000 0.000 0.271 219 L C -0.484 176.351 176.870 -0.058 0.000 1.002 219 L CA -0.938 53.866 54.840 -0.059 0.000 0.818 219 L CB 1.967 43.797 42.059 -0.382 0.000 1.298 219 L HN 0.748 nan 8.230 nan 0.000 0.420 220 A N 1.435 124.282 122.820 0.046 0.000 2.606 220 A HA 0.813 5.132 4.320 -0.000 0.000 0.293 220 A C -0.976 176.757 177.584 0.249 0.000 1.082 220 A CA -0.368 51.752 52.037 0.137 0.000 0.685 220 A CB 1.831 20.893 19.000 0.102 0.000 1.284 220 A HN 0.656 nan 8.150 nan 0.000 0.408 221 Q N 0.367 120.318 119.800 0.253 0.000 2.307 221 Q HA 0.714 5.054 4.340 -0.000 0.000 0.262 221 Q C 0.153 176.221 176.000 0.113 0.000 0.961 221 Q CA -0.262 55.645 55.803 0.173 0.000 0.882 221 Q CB 1.192 30.002 28.738 0.120 0.000 1.264 221 Q HN 1.229 nan 8.270 nan 0.000 0.446 222 S N 0.821 116.576 115.700 0.092 0.000 2.580 222 S HA 0.014 4.484 4.470 -0.000 0.000 0.266 222 S C 1.155 175.817 174.600 0.104 0.000 1.354 222 S CA -0.106 58.150 58.200 0.093 0.000 1.008 222 S CB 0.226 63.473 63.200 0.078 0.000 0.898 222 S HN 0.889 nan 8.310 nan 0.000 0.555 223 H N 0.720 119.802 119.070 0.020 0.000 2.352 223 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 223 H C 0.891 176.225 175.328 0.011 0.000 1.097 223 H CA 1.436 57.491 56.048 0.013 0.000 1.311 223 H CB -0.073 29.693 29.762 0.007 0.000 1.377 223 H HN 0.632 nan 8.280 nan 0.000 0.504 233 D N 2.213 122.699 120.400 0.143 0.000 2.323 233 D HA -0.013 4.627 4.640 -0.000 0.000 0.209 233 D C 0.372 176.739 176.300 0.112 0.000 0.973 233 D CA 0.245 54.307 54.000 0.103 0.000 0.874 233 D CB 0.916 41.757 40.800 0.069 0.000 0.930 233 D HN 0.342 nan 8.370 nan 0.000 0.521 234 L N 0.137 121.441 121.223 0.134 0.000 2.295 234 L HA 0.494 4.834 4.340 -0.000 0.000 0.285 234 L C 0.205 177.163 176.870 0.147 0.000 1.035 234 L CA -0.618 54.298 54.840 0.127 0.000 0.806 234 L CB 1.473 43.599 42.059 0.112 0.000 1.214 234 L HN -0.175 nan 8.230 nan 0.000 0.426 235 K N 3.160 123.662 120.400 0.169 0.000 2.575 235 K HA 0.263 4.583 4.320 -0.000 0.000 0.255 235 K C -2.478 174.293 176.600 0.286 0.000 0.953 235 K CA -0.414 55.987 56.287 0.191 0.000 0.840 235 K CB 2.493 35.071 32.500 0.130 0.000 1.303 235 K HN 0.603 nan 8.250 nan 0.000 0.438 236 W N 5.000 126.379 121.300 0.132 0.000 2.900 236 W HA 0.464 5.124 4.660 -0.000 0.000 0.336 236 W C -1.737 174.929 176.519 0.245 0.000 1.064 236 W CA -0.756 56.678 57.345 0.149 0.000 1.237 236 W CB 1.070 30.593 29.460 0.106 0.000 1.391 236 W HN 0.171 nan 8.180 nan 0.000 0.468 237 V N 7.801 127.384 119.914 -0.552 0.000 2.555 237 V HA 0.599 4.719 4.120 -0.000 0.000 0.302 237 V C -1.942 173.656 176.094 -0.825 0.000 1.038 237 V CA -0.690 61.311 62.300 -0.498 0.000 0.887 237 V CB 1.467 33.158 31.823 -0.221 0.000 0.991 237 V HN 0.549 nan 8.190 nan 0.000 0.434 238 Y N 6.030 125.925 120.300 -0.675 0.000 2.420 238 Y HA 0.770 5.320 4.550 -0.000 0.000 0.334 238 Y C -0.270 175.526 175.900 -0.174 0.000 1.094 238 Y CA -0.663 57.149 58.100 -0.479 0.000 1.126 238 Y CB 1.676 40.016 38.460 -0.200 0.000 1.217 238 Y HN 0.741 nan 8.280 nan 0.000 0.462 239 K N 4.515 124.388 120.400 -0.879 0.000 2.501 239 K HA 0.287 4.607 4.320 -0.000 0.000 0.252 239 K C -2.022 174.084 176.600 -0.823 0.000 0.934 239 K CA -1.061 54.830 56.287 -0.660 0.000 0.797 239 K CB 2.088 34.403 32.500 -0.309 0.000 1.270 239 K HN 0.657 nan 8.250 nan 0.000 0.431 240 D N 2.101 122.201 120.400 -0.501 0.000 2.349 240 D HA 0.191 4.831 4.640 -0.000 0.000 0.232 240 D C -2.181 174.052 176.300 -0.112 0.000 1.071 240 D CA -2.191 51.676 54.000 -0.222 0.000 0.832 240 D CB 1.593 42.385 40.800 -0.015 0.000 1.086 240 D HN 0.119 nan 8.370 nan 0.000 0.504 241 P HA -0.008 nan 4.420 nan 0.000 0.239 241 P C 0.750 178.036 177.300 -0.024 0.000 1.184 241 P CA 0.642 63.712 63.100 -0.051 0.000 0.760 241 P CB 0.266 31.941 31.700 -0.041 0.000 0.884 242 T N -2.112 112.434 114.554 -0.013 0.000 3.081 242 T HA 0.136 4.485 4.350 -0.000 0.000 0.255 242 T C 0.867 175.568 174.700 0.002 0.000 1.113 242 T CA 0.274 62.374 62.100 0.000 0.000 1.082 242 T CB -0.190 68.686 68.868 0.012 0.000 0.939 242 T HN 0.012 nan 8.240 nan 0.000 0.506 243 M N 3.459 123.060 119.600 0.002 0.000 2.220 243 M HA 0.145 4.625 4.480 -0.000 0.000 0.343 243 M C 1.557 177.860 176.300 0.005 0.000 1.470 243 M CA 0.231 55.535 55.300 0.006 0.000 1.161 243 M CB 0.643 33.251 32.600 0.013 0.000 1.737 243 M HN 0.266 nan 8.290 nan 0.000 0.464 244 T N 1.510 116.068 114.554 0.006 0.000 2.976 244 T HA 0.181 4.531 4.350 -0.000 0.000 0.257 244 T C 0.952 175.669 174.700 0.028 0.000 1.051 244 T CA 0.186 62.292 62.100 0.011 0.000 1.141 244 T CB -0.032 68.838 68.868 0.004 0.000 0.881 244 T HN 0.547 nan 8.240 nan 0.000 0.461 245 L N 2.446 123.685 121.223 0.027 0.000 2.416 245 L HA 0.275 4.614 4.340 -0.000 0.000 0.272 245 L C 0.433 177.350 176.870 0.077 0.000 1.161 245 L CA -0.616 54.251 54.840 0.045 0.000 0.845 245 L CB -0.017 42.054 42.059 0.020 0.000 1.119 245 L HN 0.304 nan 8.230 nan 0.000 0.464 246 H N 4.315 123.384 119.070 -0.002 0.000 3.017 246 H HA 0.204 4.760 4.556 -0.000 0.000 0.276 246 H C -0.282 175.055 175.328 0.016 0.000 1.062 246 H CA 0.265 56.314 56.048 0.002 0.000 1.486 246 H CB 0.188 29.947 29.762 -0.005 0.000 1.507 246 H HN 0.404 nan 8.280 nan 0.000 0.508 247 R N 6.197 126.537 120.500 -0.267 0.000 2.684 247 R HA 0.213 4.553 4.340 -0.000 0.000 0.252 247 R C -3.031 173.174 176.300 -0.158 0.000 1.628 247 R CA -1.615 54.390 56.100 -0.158 0.000 1.622 247 R CB 0.722 31.029 30.300 0.010 0.000 1.418 247 R HN 0.506 nan 8.270 nan 0.000 0.697 248 P HA 0.212 nan 4.420 nan 0.000 0.282 248 P C -1.308 175.805 177.300 -0.312 0.000 1.249 248 P CA -0.357 62.563 63.100 -0.299 0.000 0.806 248 P CB 1.627 33.134 31.700 -0.321 0.000 0.984 249 K N 0.620 120.791 120.400 -0.383 0.000 2.469 249 K HA 0.550 4.870 4.320 -0.000 0.000 0.254 249 K C -1.132 175.240 176.600 -0.379 0.000 0.939 249 K CA -0.530 55.456 56.287 -0.503 0.000 0.812 249 K CB 2.004 33.876 32.500 -1.047 0.000 1.301 249 K HN 0.533 nan 8.250 nan 0.000 0.433 250 T N 0.006 114.379 114.554 -0.301 0.000 2.848 250 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 250 T C -1.210 173.357 174.700 -0.222 0.000 0.995 250 T CA -0.573 61.373 62.100 -0.255 0.000 0.970 250 T CB 1.279 70.052 68.868 -0.159 0.000 0.976 250 T HN 0.171 nan 8.240 nan 0.000 0.441 251 V N 4.291 124.058 119.914 -0.244 0.000 2.588 251 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 251 V C -0.135 175.937 176.094 -0.037 0.000 1.042 251 V CA -0.910 61.328 62.300 -0.103 0.000 0.877 251 V CB 2.017 33.809 31.823 -0.053 0.000 0.996 251 V HN 0.906 nan 8.190 nan 0.000 0.425 252 V N 5.492 125.392 119.914 -0.023 0.000 2.432 252 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 252 V C -0.003 176.121 176.094 0.050 0.000 1.043 252 V CA -0.307 61.967 62.300 -0.043 0.000 0.925 252 V CB 1.684 33.473 31.823 -0.056 0.000 0.985 252 V HN 0.623 nan 8.190 nan 0.000 0.466 253 V N 5.571 125.526 119.914 0.068 0.000 2.398 253 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 253 V C 0.353 176.485 176.094 0.064 0.000 1.026 253 V CA -0.234 62.111 62.300 0.074 0.000 0.868 253 V CB 1.751 33.620 31.823 0.077 0.000 0.982 253 V HN 1.027 nan 8.190 nan 0.000 0.443 258 N N -1.011 117.695 118.700 0.009 0.000 3.043 258 N HA 0.163 4.903 4.740 -0.000 0.000 0.243 258 N C -0.114 175.388 175.510 -0.014 0.000 1.347 258 N CA -0.878 52.173 53.050 0.002 0.000 0.896 258 N CB 0.720 39.196 38.487 -0.017 0.000 1.501 258 N HN -0.227 nan 8.380 nan 0.000 0.504 259 L N 0.128 121.346 121.223 -0.008 0.000 2.187 259 L HA -0.024 4.316 4.340 -0.000 0.000 0.213 259 L C 1.956 178.763 176.870 -0.105 0.000 1.100 259 L CA 2.417 57.243 54.840 -0.023 0.000 0.765 259 L CB -1.611 40.452 42.059 0.007 0.000 0.904 259 L HN 0.924 nan 8.230 nan 0.000 0.437 260 A N -0.645 122.114 122.820 -0.102 0.000 1.855 260 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 260 A C 2.453 179.938 177.584 -0.166 0.000 1.191 260 A CA 1.600 53.552 52.037 -0.142 0.000 0.613 260 A CB -0.694 18.242 19.000 -0.107 0.000 0.829 260 A HN 0.441 nan 8.150 nan 0.000 0.442 261 A N -0.750 121.996 122.820 -0.124 0.000 1.969 261 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 261 A C 2.105 179.602 177.584 -0.144 0.000 1.169 261 A CA 1.591 53.553 52.037 -0.125 0.000 0.635 261 A CB -0.546 18.403 19.000 -0.086 0.000 0.810 261 A HN 0.618 nan 8.150 nan 0.000 0.445 262 L N -0.196 120.956 121.223 -0.119 0.000 2.017 262 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 262 L C 2.473 179.190 176.870 -0.254 0.000 1.073 262 L CA 2.652 57.428 54.840 -0.107 0.000 0.745 262 L CB -0.777 41.283 42.059 0.002 0.000 0.894 262 L HN 0.576 nan 8.230 nan 0.000 0.432 263 Q N -0.558 119.011 119.800 -0.385 0.000 2.084 263 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 263 Q C 2.369 177.997 176.000 -0.621 0.000 0.978 263 Q CA 1.967 57.316 55.803 -0.756 0.000 0.844 263 Q CB -0.192 28.035 28.738 -0.853 0.000 0.898 263 Q HN 0.515 nan 8.270 nan 0.000 0.426 264 K N -0.012 120.144 120.400 -0.406 0.000 2.044 264 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 264 K C 1.997 178.408 176.600 -0.315 0.000 1.049 264 K CA 1.995 58.091 56.287 -0.318 0.000 0.927 264 K CB -0.031 32.329 32.500 -0.233 0.000 0.713 264 K HN 0.354 nan 8.250 nan 0.000 0.443 265 Q N -0.616 119.006 119.800 -0.298 0.000 2.187 265 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 265 Q C 2.094 177.875 176.000 -0.366 0.000 0.957 265 Q CA 0.911 56.550 55.803 -0.273 0.000 0.857 265 Q CB 0.026 28.643 28.738 -0.202 0.000 0.929 265 Q HN 0.401 nan 8.270 nan 0.000 0.453 266 A N 1.790 124.279 122.820 -0.552 0.000 1.902 266 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 266 A C 1.946 179.119 177.584 -0.686 0.000 1.181 266 A CA 1.448 52.848 52.037 -1.061 0.000 0.623 266 A CB -0.268 17.813 19.000 -1.532 0.000 0.818 266 A HN 0.150 nan 8.150 nan 0.000 0.443 267 K N -0.504 119.600 120.400 -0.493 0.000 2.148 267 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 267 K C 2.204 178.656 176.600 -0.247 0.000 1.050 267 K CA 1.426 57.528 56.287 -0.309 0.000 0.942 267 K CB -0.100 32.218 32.500 -0.302 0.000 0.724 267 K HN 0.481 nan 8.250 nan 0.000 0.446 268 K N 1.036 121.278 120.400 -0.263 0.000 2.057 268 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 268 K C 2.247 178.707 176.600 -0.233 0.000 1.050 268 K CA 1.510 57.671 56.287 -0.210 0.000 0.935 268 K CB 0.076 32.460 32.500 -0.193 0.000 0.715 268 K HN -0.058 nan 8.250 nan 0.000 0.439 269 Q N 1.154 120.761 119.800 -0.322 0.000 2.096 269 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 269 Q C 1.934 177.579 176.000 -0.592 0.000 0.982 269 Q CA 1.592 57.084 55.803 -0.518 0.000 0.850 269 Q CB -0.240 28.169 28.738 -0.547 0.000 0.901 269 Q HN 0.399 nan 8.270 nan 0.000 0.422 270 L N -0.543 120.507 121.223 -0.289 0.000 2.141 270 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 270 L C 2.309 179.187 176.870 0.013 0.000 1.094 270 L CA 0.996 55.808 54.840 -0.047 0.000 0.763 270 L CB -0.583 41.401 42.059 -0.125 0.000 0.908 270 L HN 0.307 nan 8.230 nan 0.000 0.437 271 A N -0.523 122.266 122.820 -0.051 0.000 1.930 271 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 271 A C 1.887 179.516 177.584 0.075 0.000 1.176 271 A CA 1.419 53.468 52.037 0.019 0.000 0.632 271 A CB -0.328 18.664 19.000 -0.013 0.000 0.819 271 A HN 0.290 nan 8.150 nan 0.000 0.445 272 D N -0.822 119.584 120.400 0.011 0.000 2.117 272 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 272 D C 1.680 178.093 176.300 0.188 0.000 0.987 272 D CA 0.945 54.984 54.000 0.065 0.000 0.829 272 D CB -0.310 40.464 40.800 -0.043 0.000 0.961 272 D HN 0.632 nan 8.370 nan 0.000 0.460 273 W N 1.559 122.928 121.300 0.114 0.000 2.363 273 W HA -0.018 4.642 4.660 -0.000 0.000 0.296 273 W C 2.472 179.036 176.519 0.076 0.000 1.212 273 W CA 0.260 57.666 57.345 0.100 0.000 1.260 273 W CB -0.970 28.567 29.460 0.129 0.000 1.131 273 W HN 0.065 nan 8.180 nan 0.000 0.530 274 R N 0.473 121.158 120.500 0.309 0.000 2.096 274 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 274 R C 2.256 178.674 176.300 0.198 0.000 1.127 274 R CA 1.426 57.655 56.100 0.214 0.000 0.968 274 R CB -0.691 29.707 30.300 0.163 0.000 0.861 274 R HN 0.147 nan 8.270 nan 0.000 0.440 275 L N 0.689 122.027 121.223 0.193 0.000 2.046 275 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 275 L C 2.254 179.219 176.870 0.159 0.000 1.077 275 L CA 1.601 56.550 54.840 0.181 0.000 0.747 275 L CB -0.338 41.822 42.059 0.167 0.000 0.896 275 L HN 0.290 nan 8.230 nan 0.000 0.432 276 E N -0.251 120.049 120.200 0.165 0.000 2.265 276 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 276 E C 2.097 178.757 176.600 0.100 0.000 0.996 276 E CA 0.835 57.310 56.400 0.125 0.000 0.832 276 E CB -0.196 29.605 29.700 0.167 0.000 0.756 276 E HN 0.558 nan 8.360 nan 0.000 0.491 277 G N 0.037 108.922 108.800 0.141 0.000 2.650 277 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 277 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 277 G C 0.016 175.040 174.900 0.206 0.000 1.136 277 G CA -0.073 45.118 45.100 0.152 0.000 0.789 277 G HN 0.155 nan 8.290 nan 0.000 0.536 278 F N 1.043 120.987 119.950 -0.009 0.000 2.588 278 F HA 0.566 5.093 4.527 -0.000 0.000 0.314 278 F C -1.233 174.470 175.800 -0.161 0.000 1.134 278 F CA -0.713 57.209 58.000 -0.130 0.000 0.961 278 F CB 1.968 40.921 39.000 -0.079 0.000 1.239 278 F HN -0.146 nan 8.300 nan 0.000 0.448 279 T N 6.898 120.851 114.554 -1.002 0.000 2.921 279 T HA 0.492 4.841 4.350 -0.000 0.000 0.297 279 T C -1.730 172.275 174.700 -1.158 0.000 1.013 279 T CA -0.480 61.133 62.100 -0.811 0.000 0.990 279 T CB 1.673 70.272 68.868 -0.449 0.000 1.023 279 T HN 0.606 nan 8.240 nan 0.000 0.447 280 L N 3.447 124.129 121.223 -0.903 0.000 2.276 280 L HA 0.608 4.948 4.340 -0.000 0.000 0.286 280 L C -0.425 176.136 176.870 -0.515 0.000 1.024 280 L CA 0.083 54.471 54.840 -0.754 0.000 0.826 280 L CB 0.994 42.588 42.059 -0.774 0.000 1.211 280 L HN 0.653 nan 8.230 nan 0.000 0.422 281 T N 6.764 121.050 114.554 -0.446 0.000 2.770 281 T HA 0.549 4.899 4.350 -0.000 0.000 0.297 281 T C 0.066 174.581 174.700 -0.308 0.000 0.997 281 T CA -0.049 61.844 62.100 -0.344 0.000 0.949 281 T CB 0.253 68.945 68.868 -0.295 0.000 0.941 281 T HN 0.408 nan 8.240 nan 0.000 0.457 282 I N 2.902 123.294 120.570 -0.297 0.000 2.377 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 282 I C 0.314 176.295 176.117 -0.227 0.000 0.987 282 I CA -0.635 60.517 61.300 -0.246 0.000 1.185 282 I CB 1.767 39.617 38.000 -0.249 0.000 1.341 282 I HN 0.469 nan 8.210 nan 0.000 0.455 283 T N 5.989 120.454 114.554 -0.149 0.000 2.794 283 T HA 0.543 4.893 4.350 -0.000 0.000 0.280 283 T C -0.268 174.392 174.700 -0.066 0.000 0.987 283 T CA -0.554 61.475 62.100 -0.117 0.000 0.993 283 T CB 1.512 70.336 68.868 -0.074 0.000 0.939 283 T HN 0.414 nan 8.240 nan 0.000 0.449 284 V N 0.556 120.427 119.914 -0.072 0.000 2.960 284 V HA 1.016 5.136 4.120 -0.000 0.000 0.315 284 V C 0.402 176.540 176.094 0.073 0.000 1.087 284 V CA -1.106 61.198 62.300 0.007 0.000 0.982 284 V CB 1.581 33.413 31.823 0.015 0.000 1.039 284 V HN 0.903 nan 8.190 nan 0.000 0.437 285 G N 0.371 109.232 108.800 0.102 0.000 2.476 285 G HA2 0.645 4.605 3.960 -0.000 0.000 0.269 285 G HA3 0.645 4.605 3.960 -0.000 0.000 0.269 285 G C 0.459 175.465 174.900 0.176 0.000 1.195 285 G CA 0.290 45.454 45.100 0.108 0.000 0.843 285 G HN 2.277 nan 8.290 nan 0.000 0.545 286 G N 0.323 109.211 108.800 0.148 0.000 2.782 286 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.228 286 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.228 286 G C 0.137 175.142 174.900 0.176 0.000 1.372 286 G CA 0.281 45.499 45.100 0.198 0.000 0.862 286 G HN 1.062 nan 8.290 nan 0.000 0.547 287 H N 0.125 119.271 119.070 0.127 0.000 3.058 287 H HA 0.292 4.848 4.556 -0.000 0.000 0.266 287 H C 0.714 176.121 175.328 0.132 0.000 1.135 287 H CA 0.165 56.254 56.048 0.068 0.000 1.174 287 H CB 0.805 30.114 29.762 -0.755 0.000 1.581 287 H HN 0.332 nan 8.280 nan 0.000 0.553 288 K N 1.565 122.071 120.400 0.176 0.000 2.318 288 K HA 0.227 4.547 4.320 -0.000 0.000 0.249 288 K C -0.097 176.341 176.600 -0.270 0.000 0.942 288 K CA -0.658 55.546 56.287 -0.137 0.000 0.808 288 K CB 2.307 34.825 32.500 0.031 0.000 1.189 288 K HN 0.052 nan 8.250 nan 0.000 0.428 289 T N -1.149 113.016 114.554 -0.648 0.000 2.734 289 T HA 0.050 4.400 4.350 -0.000 0.000 0.314 289 T C 1.241 175.867 174.700 -0.124 0.000 1.057 289 T CA -0.154 61.697 62.100 -0.415 0.000 1.047 289 T CB 0.654 69.232 68.868 -0.483 0.000 0.991 289 T HN 0.546 nan 8.240 nan 0.000 0.540 290 R N 0.916 121.395 120.500 -0.035 0.000 2.139 290 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 290 R C 1.384 177.673 176.300 -0.019 0.000 1.145 290 R CA 1.820 57.920 56.100 0.000 0.000 0.976 290 R CB -0.361 29.955 30.300 0.028 0.000 0.866 290 R HN 0.868 nan 8.270 nan 0.000 0.449 291 D N -1.347 119.027 120.400 -0.043 0.000 2.395 291 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 291 D C 0.819 177.088 176.300 -0.053 0.000 1.146 291 D CA 0.561 54.538 54.000 -0.037 0.000 0.830 291 D CB 0.274 41.058 40.800 -0.027 0.000 0.958 291 D HN 0.266 nan 8.370 nan 0.000 0.501 292 G N -0.348 108.412 108.800 -0.067 0.000 2.136 292 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.242 292 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.242 292 G C 0.018 174.871 174.900 -0.078 0.000 0.989 292 G CA 0.131 45.200 45.100 -0.051 0.000 0.682 292 G HN 0.363 nan 8.290 nan 0.000 0.522 293 V N 1.858 121.681 119.914 -0.151 0.000 2.406 293 V HA 0.453 4.573 4.120 -0.000 0.000 0.272 293 V C 1.225 177.170 176.094 -0.248 0.000 1.043 293 V CA -0.694 61.506 62.300 -0.166 0.000 0.915 293 V CB 1.489 33.209 31.823 -0.170 0.000 0.988 293 V HN 0.342 nan 8.190 nan 0.000 0.466 294 L N 4.943 126.101 121.223 -0.108 0.000 2.559 294 L HA 0.072 4.412 4.340 -0.000 0.000 0.274 294 L C 0.060 176.963 176.870 0.055 0.000 1.205 294 L CA 0.271 55.109 54.840 -0.004 0.000 0.907 294 L CB 0.080 42.191 42.059 0.088 0.000 1.153 294 L HN 0.632 nan 8.230 nan 0.000 0.490 295 W N 4.148 125.590 121.300 0.236 0.000 2.257 295 W HA 0.227 4.887 4.660 -0.000 0.000 0.337 295 W C 0.438 176.919 176.519 -0.063 0.000 1.321 295 W CA 0.051 57.437 57.345 0.070 0.000 1.267 295 W CB 0.177 29.659 29.460 0.037 0.000 1.187 295 W HN 0.411 nan 8.180 nan 0.000 0.565 296 Q N 4.040 123.898 119.800 0.097 0.000 2.352 296 Q HA 0.366 4.706 4.340 -0.000 0.000 0.270 296 Q C -2.737 173.140 176.000 -0.206 0.000 1.006 296 Q CA -2.213 53.535 55.803 -0.090 0.000 0.880 296 Q CB 2.060 30.788 28.738 -0.015 0.000 1.392 296 Q HN -0.026 nan 8.270 nan 0.000 0.401 297 P HA 0.239 nan 4.420 nan 0.000 0.266 297 P C 0.325 177.350 177.300 -0.457 0.000 1.195 297 P CA 1.541 64.219 63.100 -0.704 0.000 0.768 297 P CB 0.702 31.586 31.700 -1.359 0.000 0.838 298 G N 1.038 109.686 108.800 -0.253 0.000 2.238 298 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 298 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 298 G C -0.039 174.916 174.900 0.092 0.000 0.996 298 G CA -0.439 44.763 45.100 0.169 0.000 0.632 298 G HN 0.441 nan 8.290 nan 0.000 0.503 299 L N 0.871 122.075 121.223 -0.032 0.000 2.452 299 L HA 0.572 4.912 4.340 -0.000 0.000 0.267 299 L C 1.064 177.985 176.870 0.086 0.000 1.188 299 L CA -0.356 54.520 54.840 0.061 0.000 0.821 299 L CB 0.545 42.665 42.059 0.101 0.000 1.102 299 L HN 0.141 nan 8.230 nan 0.000 0.470 300 R N 1.221 121.840 120.500 0.198 0.000 2.589 300 R HA 0.682 5.022 4.340 -0.000 0.000 0.293 300 R C -1.341 175.109 176.300 0.249 0.000 0.963 300 R CA -0.720 55.540 56.100 0.267 0.000 0.905 300 R CB 2.196 32.683 30.300 0.312 0.000 1.144 300 R HN 0.304 nan 8.270 nan 0.000 0.459 301 V N 2.355 122.438 119.914 0.281 0.000 2.525 301 V HA 0.176 4.296 4.120 -0.000 0.000 0.299 301 V C -0.359 175.949 176.094 0.357 0.000 1.034 301 V CA -0.829 61.654 62.300 0.304 0.000 0.863 301 V CB 1.439 33.417 31.823 0.259 0.000 0.999 301 V HN 0.768 nan 8.190 nan 0.000 0.423 302 H N 4.216 123.409 119.070 0.205 0.000 2.742 302 H HA 0.571 5.127 4.556 -0.000 0.000 0.302 302 H C -1.233 174.225 175.328 0.216 0.000 1.069 302 H CA -0.381 55.777 56.048 0.184 0.000 1.446 302 H CB 1.364 31.204 29.762 0.131 0.000 1.462 302 H HN 0.465 nan 8.280 nan 0.000 0.499 303 V N 7.932 127.963 119.914 0.195 0.000 2.495 303 V HA 0.278 4.398 4.120 -0.000 0.000 0.298 303 V C 0.080 176.163 176.094 -0.018 0.000 1.031 303 V CA -0.667 61.690 62.300 0.094 0.000 0.871 303 V CB 1.600 33.560 31.823 0.228 0.000 0.988 303 V HN 0.644 nan 8.190 nan 0.000 0.432 304 I N 3.901 124.429 120.570 -0.069 0.000 2.418 304 I HA 0.496 4.666 4.170 -0.000 0.000 0.287 304 I C -0.972 175.206 176.117 0.101 0.000 1.008 304 I CA -0.215 61.084 61.300 -0.001 0.000 1.104 304 I CB 1.943 39.909 38.000 -0.056 0.000 1.264 304 I HN 0.511 nan 8.210 nan 0.000 0.438 305 D N 5.339 125.823 120.400 0.140 0.000 2.389 305 D HA 0.184 4.824 4.640 -0.000 0.000 0.256 305 D C 0.311 176.733 176.300 0.203 0.000 1.239 305 D CA -0.300 53.824 54.000 0.206 0.000 0.925 305 D CB 1.233 42.119 40.800 0.143 0.000 1.145 305 D HN 0.387 nan 8.370 nan 0.000 0.542 306 D N 2.111 122.626 120.400 0.191 0.000 2.123 306 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 306 D C 1.504 177.902 176.300 0.164 0.000 0.992 306 D CA 1.052 55.145 54.000 0.156 0.000 0.833 306 D CB 0.362 41.236 40.800 0.123 0.000 0.954 306 D HN 0.603 nan 8.370 nan 0.000 0.455 307 E N -0.516 119.808 120.200 0.207 0.000 2.086 307 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 307 E C 1.743 178.424 176.600 0.135 0.000 1.012 307 E CA 1.202 57.706 56.400 0.173 0.000 0.812 307 E CB -0.148 29.687 29.700 0.225 0.000 0.743 307 E HN 0.445 nan 8.360 nan 0.000 0.453 308 H N -1.588 117.525 119.070 0.073 0.000 2.551 308 H HA 0.110 4.666 4.556 -0.000 0.000 0.266 308 H C 0.918 176.298 175.328 0.086 0.000 0.964 308 H CA 0.606 56.691 56.048 0.061 0.000 1.180 308 H CB 0.515 30.298 29.762 0.035 0.000 1.408 308 H HN 0.301 nan 8.280 nan 0.000 0.563 309 G N 0.702 109.633 108.800 0.218 0.000 2.147 309 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 309 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 309 G C 0.033 175.055 174.900 0.203 0.000 1.005 309 G CA 0.404 45.611 45.100 0.178 0.000 0.713 309 G HN 0.349 nan 8.290 nan 0.000 0.515 310 I N 0.668 121.370 120.570 0.220 0.000 2.365 310 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 310 I C -0.270 175.957 176.117 0.183 0.000 1.004 310 I CA -0.406 61.018 61.300 0.207 0.000 1.311 310 I CB 1.559 39.671 38.000 0.186 0.000 1.401 310 I HN 0.060 nan 8.210 nan 0.000 0.491 311 D N 6.168 126.681 120.400 0.189 0.000 2.351 311 D HA 0.637 5.276 4.640 -0.000 0.000 0.235 311 D C -1.360 175.068 176.300 0.213 0.000 1.331 311 D CA -0.063 54.059 54.000 0.204 0.000 0.959 311 D CB 1.325 42.237 40.800 0.187 0.000 1.432 311 D HN 0.687 nan 8.370 nan 0.000 0.544 312 A N 1.604 124.572 122.820 0.246 0.000 2.586 312 A HA 0.679 4.999 4.320 -0.000 0.000 0.290 312 A C -1.456 176.133 177.584 0.009 0.000 1.086 312 A CA -0.598 51.444 52.037 0.009 0.000 0.665 312 A CB 1.368 20.196 19.000 -0.287 0.000 1.279 312 A HN 0.153 nan 8.150 nan 0.000 0.423 313 V N 0.650 120.434 119.914 -0.216 0.000 2.472 313 V HA 0.672 4.792 4.120 -0.000 0.000 0.290 313 V C -0.929 174.917 176.094 -0.413 0.000 1.037 313 V CA -0.054 62.188 62.300 -0.097 0.000 0.908 313 V CB 0.811 32.629 31.823 -0.008 0.000 0.985 313 V HN 0.642 nan 8.190 nan 0.000 0.454 314 F N 3.192 123.255 119.950 0.188 0.000 2.593 314 F HA 0.584 5.110 4.527 -0.000 0.000 0.320 314 F C -0.503 175.460 175.800 0.273 0.000 1.060 314 F CA -0.807 57.314 58.000 0.203 0.000 0.940 314 F CB 1.810 40.898 39.000 0.147 0.000 1.268 314 F HN 0.398 nan 8.300 nan 0.000 0.475 315 F N 3.155 123.306 119.950 0.335 0.000 2.415 315 F HA 0.561 5.088 4.527 -0.000 0.000 0.348 315 F C -0.824 175.086 175.800 0.184 0.000 1.119 315 F CA -1.165 57.002 58.000 0.278 0.000 1.069 315 F CB 0.956 40.169 39.000 0.355 0.000 1.124 315 F HN 0.289 nan 8.300 nan 0.000 0.472 316 L N 7.979 128.851 121.223 -0.584 0.000 2.325 316 L HA 0.244 4.584 4.340 -0.000 0.000 0.284 316 L C 0.457 176.881 176.870 -0.743 0.000 1.089 316 L CA 0.287 54.823 54.840 -0.508 0.000 0.836 316 L CB 0.965 42.837 42.059 -0.312 0.000 1.184 316 L HN 0.941 nan 8.230 nan 0.000 0.444 317 M N 3.405 122.727 119.600 -0.464 0.000 2.567 317 M HA 0.484 4.964 4.480 -0.000 0.000 0.261 317 M C 0.462 176.499 176.300 -0.439 0.000 1.180 317 M CA 0.411 55.501 55.300 -0.351 0.000 1.143 317 M CB 0.523 33.010 32.600 -0.188 0.000 1.319 317 M HN 0.541 nan 8.290 nan 0.000 0.490 318 G N 0.391 108.946 108.800 -0.408 0.000 2.733 318 G HA2 0.650 4.610 3.960 -0.000 0.000 0.297 318 G HA3 0.650 4.610 3.960 -0.000 0.000 0.297 318 G C -1.841 172.829 174.900 -0.384 0.000 1.422 318 G CA -0.929 43.935 45.100 -0.393 0.000 0.942 318 G HN 0.386 nan 8.290 nan 0.000 0.510 319 R N -0.134 120.122 120.500 -0.407 0.000 2.604 319 R HA 0.762 5.102 4.340 -0.000 0.000 0.270 319 R C -1.208 174.809 176.300 -0.473 0.000 1.052 319 R CA -1.048 54.790 56.100 -0.436 0.000 0.902 319 R CB 1.627 31.647 30.300 -0.467 0.000 1.233 319 R HN 0.556 nan 8.270 nan 0.000 0.455 320 R N 3.416 123.665 120.500 -0.418 0.000 2.435 320 R HA 0.422 4.762 4.340 -0.000 0.000 0.308 320 R C -1.285 174.869 176.300 -0.245 0.000 0.975 320 R CA -0.691 55.210 56.100 -0.331 0.000 0.867 320 R CB 0.767 30.938 30.300 -0.216 0.000 1.171 320 R HN 0.533 nan 8.270 nan 0.000 0.470 321 F N 5.032 124.889 119.950 -0.154 0.000 2.467 321 F HA 0.321 4.848 4.527 -0.000 0.000 0.362 321 F C 0.550 176.359 175.800 0.015 0.000 1.090 321 F CA 0.033 57.914 58.000 -0.199 0.000 1.202 321 F CB 0.773 39.464 39.000 -0.515 0.000 1.113 321 F HN 0.263 nan 8.300 nan 0.000 0.541 322 M N 4.889 124.686 119.600 0.329 0.000 2.457 322 M HA 0.525 5.005 4.480 -0.000 0.000 0.300 322 M C -1.576 174.666 176.300 -0.098 0.000 1.141 322 M CA -0.989 54.364 55.300 0.088 0.000 0.901 322 M CB 2.810 35.422 32.600 0.019 0.000 1.687 322 M HN 0.442 nan 8.290 nan 0.000 0.449 323 L N 2.645 123.520 121.223 -0.580 0.000 2.410 323 L HA 0.838 5.178 4.340 -0.000 0.000 0.270 323 L C -0.857 175.829 176.870 -0.306 0.000 0.983 323 L CA 0.086 54.596 54.840 -0.551 0.000 0.822 323 L CB 2.077 43.512 42.059 -1.041 0.000 1.285 323 L HN 0.861 nan 8.230 nan 0.000 0.409 324 S N 3.437 119.047 115.700 -0.149 0.000 2.595 324 S HA 0.614 5.084 4.470 -0.000 0.000 0.281 324 S C 0.609 175.186 174.600 -0.037 0.000 1.117 324 S CA -0.979 57.173 58.200 -0.080 0.000 0.873 324 S CB 1.964 65.129 63.200 -0.059 0.000 1.108 324 S HN 0.688 nan 8.310 nan 0.000 0.477 325 R N 0.234 120.726 120.500 -0.013 0.000 2.081 325 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 325 R C 2.119 178.418 176.300 -0.002 0.000 1.131 325 R CA 1.618 57.720 56.100 0.003 0.000 0.960 325 R CB -0.484 29.823 30.300 0.012 0.000 0.856 325 R HN 0.763 nan 8.270 nan 0.000 0.436 326 M N 0.667 120.262 119.600 -0.008 0.000 2.156 326 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 326 M C 0.407 176.703 176.300 -0.006 0.000 1.067 326 M CA 1.790 57.086 55.300 -0.007 0.000 1.131 326 M CB 0.305 32.899 32.600 -0.010 0.000 1.368 326 M HN -0.025 nan 8.290 nan 0.000 0.416 327 D N -0.119 120.274 120.400 -0.012 0.000 2.433 327 D HA 0.233 4.873 4.640 -0.000 0.000 0.211 327 D C 1.135 177.432 176.300 -0.005 0.000 1.114 327 D CA 0.776 54.771 54.000 -0.008 0.000 0.837 327 D CB 0.608 41.401 40.800 -0.011 0.000 0.984 327 D HN 0.586 nan 8.370 nan 0.000 0.505 328 G N 1.410 110.205 108.800 -0.009 0.000 2.582 328 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.288 328 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.288 328 G C 0.119 175.009 174.900 -0.017 0.000 1.247 328 G CA 0.175 45.273 45.100 -0.003 0.000 0.972 328 G HN 0.215 nan 8.290 nan 0.000 0.557 329 T N 2.118 116.675 114.554 0.005 0.000 2.743 329 T HA 0.609 4.959 4.350 -0.000 0.000 0.293 329 T C 0.243 174.947 174.700 0.008 0.000 0.945 329 T CA 0.369 62.457 62.100 -0.020 0.000 1.030 329 T CB 1.117 69.970 68.868 -0.025 0.000 0.912 329 T HN 0.630 nan 8.240 nan 0.000 0.483 330 Q N 1.216 121.077 119.800 0.103 0.000 2.553 330 Q HA 0.606 4.946 4.340 -0.000 0.000 0.293 330 Q C -1.101 175.092 176.000 0.322 0.000 1.038 330 Q CA -1.088 54.808 55.803 0.155 0.000 0.777 330 Q CB 2.385 31.165 28.738 0.069 0.000 1.487 330 Q HN 0.497 nan 8.270 nan 0.000 0.426 331 T N 0.655 115.331 114.554 0.204 0.000 2.879 331 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 331 T C -1.222 173.402 174.700 -0.127 0.000 0.993 331 T CA -0.729 61.433 62.100 0.102 0.000 0.975 331 T CB 1.511 70.467 68.868 0.147 0.000 0.981 331 T HN 0.519 nan 8.240 nan 0.000 0.439 332 E N 3.594 123.693 120.200 -0.168 0.000 2.200 332 E HA 0.420 4.770 4.350 -0.000 0.000 0.283 332 E C -1.095 175.310 176.600 -0.325 0.000 1.015 332 E CA -0.631 55.629 56.400 -0.233 0.000 0.819 332 E CB 0.552 30.138 29.700 -0.191 0.000 1.081 332 E HN 0.517 nan 8.360 nan 0.000 0.397 333 L N 5.641 126.645 121.223 -0.366 0.000 2.294 333 L HA 0.470 4.810 4.340 -0.000 0.000 0.283 333 L C 0.052 176.720 176.870 -0.337 0.000 1.015 333 L CA -0.636 53.959 54.840 -0.409 0.000 0.831 333 L CB 1.314 43.051 42.059 -0.536 0.000 1.217 333 L HN 0.425 nan 8.230 nan 0.000 0.420 334 R N 4.807 125.119 120.500 -0.313 0.000 2.230 334 R HA 0.539 4.879 4.340 -0.000 0.000 0.337 334 R C -0.937 175.212 176.300 -0.251 0.000 1.063 334 R CA -0.450 55.481 56.100 -0.282 0.000 0.935 334 R CB 0.830 30.974 30.300 -0.261 0.000 1.121 334 R HN 0.517 nan 8.270 nan 0.000 0.486 335 L N 3.125 124.204 121.223 -0.239 0.000 2.325 335 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 335 L C 0.168 177.029 176.870 -0.016 0.000 1.023 335 L CA -0.793 53.969 54.840 -0.130 0.000 0.811 335 L CB 1.266 43.216 42.059 -0.182 0.000 1.249 335 L HN 0.294 nan 8.230 nan 0.000 0.431 336 K N 1.539 122.070 120.400 0.218 0.000 2.395 336 K HA 0.305 4.625 4.320 -0.000 0.000 0.247 336 K C -0.860 176.071 176.600 0.551 0.000 0.973 336 K CA -0.939 55.562 56.287 0.356 0.000 0.828 336 K CB 2.084 34.756 32.500 0.287 0.000 1.272 336 K HN 0.521 nan 8.250 nan 0.000 0.439 337 E N 1.519 122.010 120.200 0.485 0.000 2.608 337 E HA -0.161 4.189 4.350 -0.000 0.000 0.259 337 E C -0.634 176.077 176.600 0.185 0.000 0.951 337 E CA 0.346 56.906 56.400 0.265 0.000 0.945 337 E CB 0.434 30.195 29.700 0.101 0.000 0.916 337 E HN 0.299 nan 8.360 nan 0.000 0.477 338 D N 2.424 122.847 120.400 0.038 0.000 2.382 338 D HA 0.217 4.857 4.640 -0.000 0.000 0.245 338 D C 0.843 176.951 176.300 -0.321 0.000 1.120 338 D CA 1.469 55.445 54.000 -0.040 0.000 0.890 338 D CB 0.704 41.455 40.800 -0.081 0.000 1.201 338 D HN 0.622 nan 8.370 nan 0.000 0.433 339 G N 2.863 111.124 108.800 -0.899 0.000 2.179 339 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 339 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 339 G C 0.967 175.468 174.900 -0.666 0.000 0.977 339 G CA 0.387 44.693 45.100 -1.323 0.000 0.641 339 G HN 0.455 nan 8.290 nan 0.000 0.533 340 I N -1.404 118.987 120.570 -0.298 0.000 2.628 340 I HA 0.254 4.424 4.170 -0.000 0.000 0.255 340 I C 1.520 177.671 176.117 0.057 0.000 1.119 340 I CA -0.352 60.909 61.300 -0.065 0.000 1.448 340 I CB -0.895 37.124 38.000 0.031 0.000 1.133 340 I HN 0.310 nan 8.210 nan 0.000 0.438 341 W N 3.878 125.145 121.300 -0.055 0.000 2.216 341 W HA 0.179 4.839 4.660 -0.000 0.000 0.326 341 W C 1.052 177.550 176.519 -0.036 0.000 1.319 341 W CA 0.322 57.636 57.345 -0.052 0.000 1.213 341 W CB 0.179 29.589 29.460 -0.084 0.000 1.171 341 W HN 0.385 nan 8.180 nan 0.000 0.557 342 T N 3.988 118.169 114.554 -0.622 0.000 3.290 342 T HA -0.211 4.139 4.350 -0.000 0.000 0.422 342 T C -1.325 173.226 174.700 -0.249 0.000 0.771 342 T CA 0.504 62.238 62.100 -0.610 0.000 2.100 342 T CB -1.235 66.979 68.868 -1.091 0.000 1.676 342 T HN 0.525 nan 8.240 nan 0.000 0.613 343 P HA 0.028 nan 4.420 nan 0.000 0.225 343 P C 1.001 178.284 177.300 -0.028 0.000 1.156 343 P CA 0.815 63.918 63.100 0.004 0.000 0.787 343 P CB 0.159 31.829 31.700 -0.049 0.000 0.802 344 D N 0.291 120.629 120.400 -0.103 0.000 2.312 344 D HA -0.010 4.630 4.640 -0.000 0.000 0.211 344 D C 2.041 178.261 176.300 -0.134 0.000 0.964 344 D CA 0.868 54.801 54.000 -0.112 0.000 0.877 344 D CB -0.504 40.211 40.800 -0.142 0.000 0.924 344 D HN 0.119 nan 8.370 nan 0.000 0.515 345 A N 0.047 122.773 122.820 -0.156 0.000 1.940 345 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 345 A C 0.349 177.676 177.584 -0.428 0.000 1.176 345 A CA 1.102 52.973 52.037 -0.277 0.000 0.631 345 A CB -0.361 18.512 19.000 -0.212 0.000 0.814 345 A HN 0.268 nan 8.150 nan 0.000 0.446 346 Y N -0.423 119.840 120.300 -0.062 0.000 2.592 346 Y HA 0.373 4.923 4.550 -0.000 0.000 0.354 346 Y C -2.387 173.509 175.900 -0.008 0.000 1.063 346 Y CA -2.532 55.549 58.100 -0.032 0.000 1.205 346 Y CB 0.311 38.754 38.460 -0.028 0.000 1.106 346 Y HN 0.134 nan 8.280 nan 0.000 0.649 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.132 63.100 0.054 0.000 0.800 347 P CB 0.000 31.702 31.700 0.003 0.000 0.726