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 2ih9_1_B DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.335 176.600 -0.442 0.000 1.382 1 E CA 0.000 56.309 56.400 -0.151 0.000 0.976 1 E CB 0.000 29.630 29.700 -0.117 0.000 0.812 2 P HA 0.287 nan 4.420 nan 0.000 0.276 2 P C -0.035 176.951 177.300 -0.523 0.000 1.244 2 P CA -0.234 62.226 63.100 -1.067 0.000 0.801 2 P CB 1.619 32.534 31.700 -1.309 0.000 1.006 3 T N -3.204 111.095 114.554 -0.426 0.000 3.105 3 T HA 0.021 4.374 4.350 0.005 0.000 0.257 3 T C 1.294 175.898 174.700 -0.161 0.000 0.949 3 T CA 0.473 62.436 62.100 -0.228 0.000 0.959 3 T CB -0.716 68.055 68.868 -0.162 0.000 1.205 3 T HN 0.585 nan 8.240 nan 0.000 0.496 4 c N 1.376 119.888 118.600 -0.146 0.000 2.994 4 c HA 0.491 5.064 4.570 0.005 0.000 0.284 4 c C 0.579 174.646 174.090 -0.039 0.000 1.404 4 c CA -1.378 54.910 56.329 -0.068 0.000 1.775 4 c CB -1.945 40.551 42.510 -0.023 0.000 2.458 4 c HN 0.490 nan 8.230 nan 0.000 0.593 5 N N 3.263 121.922 118.700 -0.068 0.000 2.482 5 N HA 0.211 4.954 4.740 0.005 0.000 0.242 5 N C -0.258 175.232 175.510 -0.034 0.000 1.100 5 N CA 0.583 53.639 53.050 0.011 0.000 0.946 5 N CB 0.859 39.416 38.487 0.118 0.000 1.227 5 N HN 0.759 nan 8.380 nan 0.000 0.508 6 T N 0.537 115.062 114.554 -0.047 0.000 2.932 6 T HA 0.430 4.782 4.350 0.005 0.000 0.289 6 T C -1.778 172.851 174.700 -0.117 0.000 1.039 6 T CA -1.687 60.371 62.100 -0.070 0.000 1.024 6 T CB 2.096 70.933 68.868 -0.052 0.000 1.090 6 T HN 0.170 nan 8.240 nan 0.000 0.496 7 P HA -0.145 nan 4.420 nan 0.000 0.219 7 P C 1.520 178.738 177.300 -0.136 0.000 1.146 7 P CA 1.205 64.201 63.100 -0.173 0.000 0.808 7 P CB -0.058 31.576 31.700 -0.111 0.000 0.779 8 S N -2.561 113.089 115.700 -0.084 0.000 2.478 8 S HA 0.038 4.510 4.470 0.005 0.000 0.222 8 S C 1.088 175.662 174.600 -0.043 0.000 1.008 8 S CA 0.075 58.244 58.200 -0.052 0.000 0.928 8 S CB -0.531 62.649 63.200 -0.033 0.000 0.781 8 S HN -0.008 nan 8.310 nan 0.000 0.518 9 N N 0.855 119.524 118.700 -0.051 0.000 2.690 9 N HA 0.329 5.071 4.740 0.005 0.000 0.255 9 N C 0.006 175.498 175.510 -0.030 0.000 1.195 9 N CA -0.337 52.699 53.050 -0.023 0.000 0.790 9 N CB 0.866 39.351 38.487 -0.003 0.000 1.216 9 N HN 0.056 nan 8.380 nan 0.000 0.528 10 R N 0.866 121.333 120.500 -0.056 0.000 2.276 10 R HA 0.190 4.532 4.340 0.005 0.000 0.196 10 R C 1.383 177.719 176.300 0.059 0.000 0.961 10 R CA 0.353 56.419 56.100 -0.058 0.000 1.024 10 R CB -0.103 30.072 30.300 -0.208 0.000 0.940 10 R HN 0.479 nan 8.270 nan 0.000 0.480 11 A N 0.357 123.218 122.820 0.068 0.000 2.119 11 A HA -0.069 4.254 4.320 0.005 0.000 0.217 11 A C 1.166 178.832 177.584 0.136 0.000 1.153 11 A CA 0.394 52.490 52.037 0.099 0.000 0.692 11 A CB -0.201 18.851 19.000 0.086 0.000 0.799 11 A HN 0.309 nan 8.150 nan 0.000 0.458 12 c N -1.707 116.977 118.600 0.139 0.000 2.405 12 c HA 0.553 5.126 4.570 0.005 0.000 0.365 12 c C 0.990 175.260 174.090 0.300 0.000 1.233 12 c CA -0.605 55.830 56.329 0.177 0.000 2.230 12 c CB 0.507 43.077 42.510 0.099 0.000 2.443 12 c HN 0.700 nan 8.230 nan 0.000 0.556 13 W N 1.984 123.337 121.300 0.088 0.000 5.014 13 W HA 0.273 4.936 4.660 0.005 0.000 0.183 13 W C 0.222 176.790 176.519 0.082 0.000 1.511 13 W CA 0.604 58.008 57.345 0.098 0.000 2.181 13 W CB -0.461 29.110 29.460 0.185 0.000 0.906 13 W HN 0.767 nan 8.180 nan 0.000 0.985 14 S N 0.219 116.029 115.700 0.183 0.000 2.656 14 S HA 0.280 4.752 4.470 0.005 0.000 0.273 14 S C -1.632 173.069 174.600 0.169 0.000 1.168 14 S CA -0.657 57.574 58.200 0.052 0.000 0.817 14 S CB 1.871 65.069 63.200 -0.003 0.000 1.146 14 S HN 0.043 nan 8.310 nan 0.000 0.475 15 D N 1.168 121.633 120.400 0.109 0.000 2.383 15 D HA 0.448 5.091 4.640 0.005 0.000 0.275 15 D C 1.296 177.625 176.300 0.048 0.000 1.344 15 D CA 1.502 55.544 54.000 0.070 0.000 0.984 15 D CB -0.377 40.444 40.800 0.035 0.000 1.104 15 D HN 1.214 nan 8.370 nan 0.000 0.524 16 G N 1.470 110.232 108.800 -0.062 0.000 2.176 16 G HA2 -0.250 3.713 3.960 0.005 0.000 0.232 16 G HA3 -0.250 3.713 3.960 0.005 0.000 0.232 16 G C -0.088 174.442 174.900 -0.617 0.000 0.986 16 G CA -0.664 44.234 45.100 -0.337 0.000 0.643 16 G HN 0.409 nan 8.290 nan 0.000 0.522 17 F N 1.575 121.570 119.950 0.075 0.000 2.539 17 F HA 0.624 5.154 4.527 0.005 0.000 0.318 17 F C 0.114 176.092 175.800 0.296 0.000 1.135 17 F CA -0.302 57.787 58.000 0.150 0.000 0.915 17 F CB 2.193 41.154 39.000 -0.065 0.000 1.176 17 F HN 0.292 nan 8.300 nan 0.000 0.440 18 D N 1.006 121.702 120.400 0.493 0.000 2.921 18 D HA 0.250 4.893 4.640 0.005 0.000 0.329 18 D C 0.318 176.790 176.300 0.286 0.000 1.293 18 D CA -0.618 53.596 54.000 0.357 0.000 0.964 18 D CB 0.521 41.455 40.800 0.223 0.000 1.435 18 D HN 0.245 nan 8.370 nan 0.000 0.548 19 I N -0.034 120.651 120.570 0.190 0.000 2.614 19 I HA -0.006 4.167 4.170 0.005 0.000 0.258 19 I C 0.721 176.982 176.117 0.240 0.000 1.189 19 I CA 1.111 62.527 61.300 0.193 0.000 1.462 19 I CB -0.547 37.547 38.000 0.155 0.000 1.092 19 I HN 0.303 nan 8.210 nan 0.000 0.442 20 N N -0.437 118.388 118.700 0.209 0.000 2.373 20 N HA 0.055 4.797 4.740 0.005 0.000 0.181 20 N C 0.320 175.949 175.510 0.197 0.000 1.082 20 N CA 0.235 53.392 53.050 0.178 0.000 0.885 20 N CB -0.069 38.494 38.487 0.126 0.000 0.977 20 N HN 0.266 nan 8.380 nan 0.000 0.462 21 T N 1.604 116.324 114.554 0.277 0.000 2.916 21 T HA -0.040 4.313 4.350 0.005 0.000 0.303 21 T C 0.161 175.054 174.700 0.322 0.000 1.025 21 T CA 0.031 62.318 62.100 0.311 0.000 1.142 21 T CB 1.011 70.181 68.868 0.504 0.000 0.947 21 T HN -0.027 nan 8.240 nan 0.000 0.544 22 D N 2.535 123.049 120.400 0.189 0.000 2.416 22 D HA 0.036 4.679 4.640 0.005 0.000 0.240 22 D C 1.134 177.511 176.300 0.129 0.000 1.250 22 D CA -0.550 53.476 54.000 0.044 0.000 0.967 22 D CB 0.004 40.808 40.800 0.007 0.000 1.059 22 D HN 0.667 nan 8.370 nan 0.000 0.512 23 Y N 1.443 121.943 120.300 0.333 0.000 2.403 23 Y HA -0.047 4.505 4.550 0.005 0.000 0.291 23 Y C 1.598 177.670 175.900 0.286 0.000 1.143 23 Y CA 0.738 59.097 58.100 0.431 0.000 1.257 23 Y CB -0.487 38.139 38.460 0.278 0.000 0.984 23 Y HN 0.279 nan 8.280 nan 0.000 0.550 24 E N 0.422 120.556 120.200 -0.109 0.000 2.268 24 E HA -0.078 4.275 4.350 0.005 0.000 0.195 24 E C 1.675 178.330 176.600 0.091 0.000 0.995 24 E CA 1.526 57.939 56.400 0.021 0.000 0.836 24 E CB 0.080 29.715 29.700 -0.110 0.000 0.763 24 E HN 0.613 nan 8.360 nan 0.000 0.491 25 V N -4.070 115.905 119.914 0.101 0.000 3.548 25 V HA 0.271 4.394 4.120 0.005 0.000 0.279 25 V C 0.374 176.564 176.094 0.159 0.000 1.446 25 V CA -0.433 61.933 62.300 0.109 0.000 1.023 25 V CB 1.294 33.154 31.823 0.062 0.000 0.820 25 V HN -0.136 nan 8.190 nan 0.000 0.438 26 S N 0.977 116.826 115.700 0.248 0.000 2.561 26 S HA 0.768 5.240 4.470 0.005 0.000 0.303 26 S C -0.391 174.459 174.600 0.416 0.000 1.110 26 S CA -0.232 58.159 58.200 0.317 0.000 1.034 26 S CB 1.939 65.328 63.200 0.315 0.000 1.010 26 S HN 0.545 nan 8.310 nan 0.000 0.482 27 T N 4.682 119.383 114.554 0.245 0.000 2.916 27 T HA 0.559 4.912 4.350 0.005 0.000 0.298 27 T C -2.841 171.629 174.700 -0.383 0.000 1.031 27 T CA -1.293 60.772 62.100 -0.059 0.000 0.993 27 T CB 1.794 70.693 68.868 0.052 0.000 1.045 27 T HN 0.324 nan 8.240 nan 0.000 0.454 28 P HA 0.217 nan 4.420 nan 0.000 0.279 28 P C -0.925 176.113 177.300 -0.437 0.000 1.239 28 P CA -0.325 62.148 63.100 -1.045 0.000 0.789 28 P CB 0.915 31.672 31.700 -1.571 0.000 0.933 29 D N 2.209 122.466 120.400 -0.237 0.000 2.456 29 D HA 0.067 4.710 4.640 0.005 0.000 0.219 29 D C 0.953 177.183 176.300 -0.116 0.000 1.126 29 D CA -0.073 53.850 54.000 -0.128 0.000 0.890 29 D CB 0.794 41.559 40.800 -0.059 0.000 1.025 29 D HN 0.322 nan 8.370 nan 0.000 0.511 30 T N 0.047 114.532 114.554 -0.115 0.000 3.044 30 T HA 0.177 4.529 4.350 0.005 0.000 0.255 30 T C 1.624 176.286 174.700 -0.064 0.000 1.073 30 T CA 0.707 62.756 62.100 -0.084 0.000 1.125 30 T CB 0.137 68.967 68.868 -0.063 0.000 0.908 30 T HN 0.499 nan 8.240 nan 0.000 0.480 31 G N 0.915 109.677 108.800 -0.063 0.000 2.168 31 G HA2 -0.209 3.753 3.960 0.005 0.000 0.257 31 G HA3 -0.209 3.753 3.960 0.005 0.000 0.257 31 G C 0.034 174.898 174.900 -0.059 0.000 0.997 31 G CA 0.209 45.275 45.100 -0.056 0.000 0.708 31 G HN 0.766 nan 8.290 nan 0.000 0.520 32 V N 0.489 120.366 119.914 -0.061 0.000 2.483 32 V HA 0.730 4.853 4.120 0.005 0.000 0.295 32 V C 0.460 176.504 176.094 -0.083 0.000 1.035 32 V CA -0.132 62.130 62.300 -0.064 0.000 0.896 32 V CB 1.922 33.716 31.823 -0.048 0.000 0.986 32 V HN 0.262 nan 8.190 nan 0.000 0.447 33 T N 4.366 118.859 114.554 -0.101 0.000 2.807 33 T HA 0.449 4.802 4.350 0.005 0.000 0.279 33 T C -0.742 173.864 174.700 -0.156 0.000 0.993 33 T CA -0.576 61.441 62.100 -0.139 0.000 0.970 33 T CB 1.426 70.206 68.868 -0.146 0.000 0.950 33 T HN 0.521 nan 8.240 nan 0.000 0.441 34 Q N 2.386 122.074 119.800 -0.186 0.000 2.348 34 Q HA 0.497 4.840 4.340 0.005 0.000 0.265 34 Q C -0.386 175.419 176.000 -0.325 0.000 0.998 34 Q CA -0.514 55.152 55.803 -0.228 0.000 0.831 34 Q CB 1.816 30.487 28.738 -0.111 0.000 1.251 34 Q HN 0.827 nan 8.270 nan 0.000 0.456 35 S N 2.189 117.625 115.700 -0.439 0.000 2.537 35 S HA 0.832 5.305 4.470 0.005 0.000 0.301 35 S C -0.873 173.347 174.600 -0.633 0.000 1.092 35 S CA -0.438 57.519 58.200 -0.404 0.000 1.048 35 S CB 1.097 64.148 63.200 -0.248 0.000 1.053 35 S HN 0.398 nan 8.310 nan 0.000 0.501 36 Y N -0.141 120.084 120.300 -0.125 0.000 2.553 36 Y HA 0.639 5.192 4.550 0.005 0.000 0.347 36 Y C -0.605 175.257 175.900 -0.063 0.000 1.019 36 Y CA -1.162 56.919 58.100 -0.032 0.000 1.032 36 Y CB 2.069 40.560 38.460 0.051 0.000 1.284 36 Y HN 0.589 nan 8.280 nan 0.000 0.466 37 V N 3.053 123.112 119.914 0.241 0.000 2.448 37 V HA 0.404 4.527 4.120 0.005 0.000 0.295 37 V C -1.188 175.186 176.094 0.465 0.000 1.025 37 V CA -0.815 61.606 62.300 0.203 0.000 0.859 37 V CB 1.300 33.205 31.823 0.136 0.000 0.988 37 V HN 0.457 nan 8.190 nan 0.000 0.431 38 F N 3.674 123.700 119.950 0.127 0.000 2.332 38 F HA 0.461 4.990 4.527 0.004 0.000 0.368 38 F C 0.384 176.236 175.800 0.086 0.000 1.110 38 F CA -1.521 56.545 58.000 0.111 0.000 1.087 38 F CB 1.121 40.187 39.000 0.110 0.000 1.235 38 F HN 0.440 nan 8.300 nan 0.000 0.470 39 N N 4.749 123.591 118.700 0.237 0.000 2.457 39 N HA 0.312 5.055 4.740 0.005 0.000 0.250 39 N C -1.087 174.478 175.510 0.091 0.000 0.982 39 N CA -0.239 52.894 53.050 0.138 0.000 0.941 39 N CB 0.630 39.180 38.487 0.105 0.000 1.120 39 N HN 0.512 nan 8.380 nan 0.000 0.505 40 L N 3.027 124.296 121.223 0.076 0.000 2.278 40 L HA 0.349 4.692 4.340 0.005 0.000 0.287 40 L C 0.625 177.501 176.870 0.011 0.000 1.072 40 L CA -0.443 54.417 54.840 0.033 0.000 0.819 40 L CB 0.707 42.782 42.059 0.026 0.000 1.176 40 L HN 0.535 nan 8.230 nan 0.000 0.435 41 T N -0.738 113.814 114.554 -0.004 0.000 2.912 41 T HA 0.428 4.781 4.350 0.005 0.000 0.288 41 T C -0.526 174.159 174.700 -0.026 0.000 1.030 41 T CA -0.911 61.185 62.100 -0.006 0.000 1.020 41 T CB 2.317 71.189 68.868 0.006 0.000 1.056 41 T HN 0.482 nan 8.240 nan 0.000 0.480 42 E N 1.387 121.581 120.200 -0.010 0.000 2.109 42 E HA 0.534 4.887 4.350 0.005 0.000 0.278 42 E C -1.269 175.330 176.600 -0.001 0.000 0.954 42 E CA -0.763 55.631 56.400 -0.010 0.000 0.779 42 E CB 0.962 30.672 29.700 0.017 0.000 1.093 42 E HN 0.538 nan 8.360 nan 0.000 0.401 43 V N 4.812 124.710 119.914 -0.027 0.000 2.448 43 V HA 0.279 4.402 4.120 0.005 0.000 0.295 43 V C -0.346 175.778 176.094 0.051 0.000 1.025 43 V CA -0.962 61.347 62.300 0.015 0.000 0.859 43 V CB 1.723 33.543 31.823 -0.006 0.000 0.988 43 V HN 0.680 nan 8.190 nan 0.000 0.431 44 D N 3.368 123.820 120.400 0.087 0.000 2.229 44 D HA 0.329 4.972 4.640 0.005 0.000 0.249 44 D C 0.382 176.765 176.300 0.139 0.000 1.027 44 D CA -0.261 53.799 54.000 0.099 0.000 0.923 44 D CB 0.921 41.767 40.800 0.077 0.000 1.174 44 D HN 0.581 nan 8.370 nan 0.000 0.443 45 N N 0.732 119.515 118.700 0.138 0.000 2.725 45 N HA -0.241 4.502 4.740 0.005 0.000 0.251 45 N C -0.830 174.797 175.510 0.196 0.000 1.031 45 N CA 0.376 53.506 53.050 0.134 0.000 0.720 45 N CB -1.158 37.378 38.487 0.082 0.000 0.930 45 N HN 0.530 nan 8.380 nan 0.000 0.543 46 W N 1.242 122.562 121.300 0.033 0.000 2.287 46 W HA 0.403 5.065 4.660 0.004 0.000 0.313 46 W C 0.679 177.224 176.519 0.043 0.000 1.267 46 W CA -0.806 56.565 57.345 0.042 0.000 1.201 46 W CB 0.434 29.931 29.460 0.061 0.000 1.196 46 W HN 0.155 nan 8.180 nan 0.000 0.536 47 M N 7.278 126.663 119.600 -0.358 0.000 2.220 47 M HA 0.355 4.838 4.480 0.005 0.000 0.343 47 M C 0.318 176.092 176.300 -0.878 0.000 1.470 47 M CA -0.049 54.983 55.300 -0.446 0.000 1.161 47 M CB -0.242 32.155 32.600 -0.338 0.000 1.737 47 M HN 0.473 nan 8.290 nan 0.000 0.464 48 G N 5.910 114.417 108.800 -0.489 0.000 2.599 48 G HA2 0.404 4.367 3.960 0.005 0.000 0.264 48 G HA3 0.404 4.367 3.960 0.005 0.000 0.264 48 G C -1.734 172.957 174.900 -0.349 0.000 1.200 48 G CA -1.048 43.806 45.100 -0.411 0.000 0.896 48 G HN 0.716 nan 8.290 nan 0.000 0.536 49 P HA -0.052 nan 4.420 nan 0.000 0.228 49 P C 0.423 177.611 177.300 -0.188 0.000 1.151 49 P CA 1.125 64.076 63.100 -0.247 0.000 0.770 49 P CB 0.278 31.831 31.700 -0.245 0.000 0.786 50 D N -1.730 118.590 120.400 -0.133 0.000 2.424 50 D HA 0.171 4.814 4.640 0.005 0.000 0.220 50 D C 1.357 177.623 176.300 -0.055 0.000 1.150 50 D CA -0.013 53.945 54.000 -0.070 0.000 0.831 50 D CB -0.464 40.344 40.800 0.013 0.000 0.981 50 D HN 0.208 nan 8.370 nan 0.000 0.500 51 G N -0.481 108.262 108.800 -0.095 0.000 2.241 51 G HA2 -0.269 3.694 3.960 0.005 0.000 0.244 51 G HA3 -0.269 3.694 3.960 0.005 0.000 0.244 51 G C 0.202 175.030 174.900 -0.119 0.000 0.998 51 G CA 0.242 45.280 45.100 -0.102 0.000 0.621 51 G HN 0.384 nan 8.290 nan 0.000 0.519 52 V N 1.013 120.847 119.914 -0.134 0.000 2.785 52 V HA 0.599 4.722 4.120 0.005 0.000 0.300 52 V C 0.808 176.804 176.094 -0.163 0.000 1.062 52 V CA -0.611 61.546 62.300 -0.240 0.000 1.029 52 V CB 1.899 33.357 31.823 -0.610 0.000 1.024 52 V HN 0.262 nan 8.190 nan 0.000 0.477 53 V N 4.402 124.223 119.914 -0.155 0.000 2.370 53 V HA 0.359 4.482 4.120 0.005 0.000 0.283 53 V C 0.204 176.292 176.094 -0.009 0.000 1.023 53 V CA -0.844 61.424 62.300 -0.053 0.000 0.857 53 V CB 1.283 33.081 31.823 -0.041 0.000 0.985 53 V HN 0.792 nan 8.190 nan 0.000 0.443 54 K N 3.482 123.957 120.400 0.125 0.000 2.143 54 K HA 0.317 4.640 4.320 0.005 0.000 0.272 54 K C 1.016 177.699 176.600 0.138 0.000 1.001 54 K CA -0.465 55.913 56.287 0.152 0.000 0.915 54 K CB 2.208 34.863 32.500 0.259 0.000 1.047 54 K HN 0.748 nan 8.250 nan 0.000 0.458 55 E N 2.330 122.585 120.200 0.092 0.000 2.033 55 E HA -0.193 4.160 4.350 0.005 0.000 0.199 55 E C -0.107 176.545 176.600 0.085 0.000 1.011 55 E CA 1.616 58.061 56.400 0.074 0.000 0.815 55 E CB 0.364 30.095 29.700 0.051 0.000 0.755 55 E HN 0.381 nan 8.360 nan 0.000 0.451 56 K N -0.362 120.084 120.400 0.077 0.000 2.502 56 K HA 0.377 4.700 4.320 0.005 0.000 0.257 56 K C -1.498 175.116 176.600 0.024 0.000 0.938 56 K CA -0.657 55.663 56.287 0.055 0.000 0.819 56 K CB 2.320 34.846 32.500 0.043 0.000 1.333 56 K HN 0.066 nan 8.250 nan 0.000 0.434 57 V N -0.079 119.810 119.914 -0.043 0.000 3.049 57 V HA 0.625 4.748 4.120 0.005 0.000 0.309 57 V C -1.034 174.964 176.094 -0.160 0.000 1.148 57 V CA -1.033 61.172 62.300 -0.159 0.000 0.990 57 V CB 1.977 33.531 31.823 -0.449 0.000 1.039 57 V HN 0.807 nan 8.190 nan 0.000 0.430 58 M N 4.473 123.987 119.600 -0.143 0.000 2.018 58 M HA 0.605 5.088 4.480 0.005 0.000 0.311 58 M C -1.207 175.017 176.300 -0.127 0.000 0.928 58 M CA -0.147 55.095 55.300 -0.097 0.000 0.911 58 M CB 1.511 34.094 32.600 -0.028 0.000 1.447 58 M HN 0.591 nan 8.290 nan 0.000 0.407 59 L N 3.531 124.660 121.223 -0.157 0.000 2.334 59 L HA 0.707 5.050 4.340 0.005 0.000 0.272 59 L C -0.454 176.370 176.870 -0.077 0.000 1.020 59 L CA -1.010 53.740 54.840 -0.151 0.000 0.812 59 L CB 1.897 43.825 42.059 -0.219 0.000 1.264 59 L HN 0.593 nan 8.230 nan 0.000 0.439 60 I N 2.078 122.603 120.570 -0.074 0.000 2.354 60 I HA 0.265 4.438 4.170 0.005 0.000 0.292 60 I C -0.140 175.952 176.117 -0.041 0.000 0.989 60 I CA -0.489 60.768 61.300 -0.072 0.000 1.188 60 I CB 1.204 39.086 38.000 -0.196 0.000 1.342 60 I HN 0.676 nan 8.210 nan 0.000 0.457 61 N N 4.636 123.342 118.700 0.010 0.000 2.693 61 N HA -0.209 4.533 4.740 0.005 0.000 0.249 61 N C 0.963 176.501 175.510 0.048 0.000 1.119 61 N CA 1.395 54.473 53.050 0.046 0.000 0.717 61 N CB -1.264 37.261 38.487 0.064 0.000 1.071 61 N HN 1.157 nan 8.380 nan 0.000 0.555 62 G N -2.104 106.717 108.800 0.034 0.000 2.168 62 G HA2 -0.364 3.598 3.960 0.005 0.000 0.263 62 G HA3 -0.364 3.598 3.960 0.005 0.000 0.263 62 G C 0.096 175.056 174.900 0.100 0.000 0.977 62 G CA 0.604 45.739 45.100 0.060 0.000 0.659 62 G HN 0.559 nan 8.290 nan 0.000 0.533 63 N N -0.877 117.864 118.700 0.068 0.000 2.471 63 N HA 0.534 5.277 4.740 0.005 0.000 0.288 63 N C 1.346 176.901 175.510 0.074 0.000 1.220 63 N CA -0.357 52.761 53.050 0.113 0.000 0.893 63 N CB 1.246 39.781 38.487 0.081 0.000 1.256 63 N HN 0.035 nan 8.380 nan 0.000 0.534 64 I N -0.287 120.383 120.570 0.167 0.000 2.454 64 I HA -0.030 4.143 4.170 0.005 0.000 0.254 64 I C 0.144 176.274 176.117 0.022 0.000 1.156 64 I CA 1.309 62.688 61.300 0.132 0.000 1.433 64 I CB 0.226 38.403 38.000 0.296 0.000 1.082 64 I HN 0.351 nan 8.210 nan 0.000 0.432 65 M N -0.766 118.838 119.600 0.007 0.000 2.572 65 M HA 0.386 4.869 4.480 0.005 0.000 0.299 65 M C 0.186 176.453 176.300 -0.055 0.000 1.205 65 M CA -0.574 54.699 55.300 -0.045 0.000 0.876 65 M CB 1.825 34.388 32.600 -0.061 0.000 1.728 65 M HN 0.001 nan 8.290 nan 0.000 0.458 66 G N 1.207 109.948 108.800 -0.099 0.000 2.588 66 G HA2 0.496 4.459 3.960 0.005 0.000 0.278 66 G HA3 0.496 4.459 3.960 0.005 0.000 0.278 66 G C -2.841 172.046 174.900 -0.023 0.000 1.307 66 G CA -1.020 44.005 45.100 -0.124 0.000 1.016 66 G HN 0.327 nan 8.290 nan 0.000 0.503 67 P HA 0.055 nan 4.420 nan 0.000 0.266 67 P C -0.501 176.864 177.300 0.107 0.000 1.195 67 P CA -0.163 62.991 63.100 0.089 0.000 0.768 67 P CB 0.397 32.206 31.700 0.182 0.000 0.838 68 N N 3.097 121.849 118.700 0.086 0.000 2.402 68 N HA 0.111 4.854 4.740 0.005 0.000 0.259 68 N C 0.063 175.595 175.510 0.037 0.000 1.167 68 N CA 0.115 53.216 53.050 0.085 0.000 0.949 68 N CB -0.308 38.226 38.487 0.078 0.000 1.212 68 N HN 0.369 nan 8.380 nan 0.000 0.493 69 I N 2.288 122.861 120.570 0.004 0.000 2.581 69 I HA -0.011 4.162 4.170 0.005 0.000 0.285 69 I C -0.042 176.134 176.117 0.098 0.000 1.129 69 I CA 0.014 61.217 61.300 -0.163 0.000 1.397 69 I CB 0.283 38.245 38.000 -0.063 0.000 1.399 69 I HN 0.004 nan 8.210 nan 0.000 0.537 70 V N 6.613 126.655 119.914 0.214 0.000 2.531 70 V HA 0.858 4.981 4.120 0.005 0.000 0.301 70 V C 0.016 176.234 176.094 0.207 0.000 1.034 70 V CA -0.374 62.048 62.300 0.203 0.000 0.865 70 V CB 1.434 33.369 31.823 0.187 0.000 0.995 70 V HN 0.896 nan 8.190 nan 0.000 0.424 71 A N 4.358 127.274 122.820 0.160 0.000 2.599 71 A HA 0.745 5.068 4.320 0.005 0.000 0.290 71 A C -1.091 176.588 177.584 0.160 0.000 1.101 71 A CA -0.847 51.269 52.037 0.131 0.000 0.674 71 A CB 1.437 20.484 19.000 0.077 0.000 1.277 71 A HN 0.750 nan 8.150 nan 0.000 0.419 72 N N -0.549 118.260 118.700 0.181 0.000 2.482 72 N HA 0.417 5.160 4.740 0.005 0.000 0.279 72 N C -0.885 174.785 175.510 0.266 0.000 1.182 72 N CA -0.449 52.772 53.050 0.284 0.000 0.969 72 N CB 0.770 39.499 38.487 0.403 0.000 1.201 72 N HN 0.710 nan 8.380 nan 0.000 0.523 73 W N 1.239 122.545 121.300 0.010 0.000 2.397 73 W HA 0.254 4.917 4.660 0.005 0.000 0.327 73 W C 0.962 177.469 176.519 -0.020 0.000 1.421 73 W CA 0.487 57.785 57.345 -0.078 0.000 1.288 73 W CB -0.880 28.363 29.460 -0.362 0.000 1.312 73 W HN 0.771 nan 8.180 nan 0.000 0.559 74 G N 3.386 112.254 108.800 0.113 0.000 2.176 74 G HA2 -0.259 3.704 3.960 0.005 0.000 0.232 74 G HA3 -0.259 3.704 3.960 0.005 0.000 0.232 74 G C 0.105 174.985 174.900 -0.033 0.000 0.986 74 G CA -0.008 45.035 45.100 -0.094 0.000 0.643 74 G HN 0.522 nan 8.290 nan 0.000 0.522 75 D N 0.350 120.765 120.400 0.024 0.000 2.433 75 D HA 0.624 5.266 4.640 0.005 0.000 0.255 75 D C 0.400 176.663 176.300 -0.061 0.000 1.226 75 D CA 0.464 54.452 54.000 -0.020 0.000 1.015 75 D CB 0.751 41.547 40.800 -0.006 0.000 1.091 75 D HN 0.035 nan 8.370 nan 0.000 0.527 76 T N 0.231 114.706 114.554 -0.131 0.000 2.809 76 T HA 0.429 4.782 4.350 0.005 0.000 0.284 76 T C -0.350 174.131 174.700 -0.364 0.000 0.992 76 T CA -0.604 61.364 62.100 -0.220 0.000 0.957 76 T CB 1.201 69.962 68.868 -0.178 0.000 0.942 76 T HN -0.038 nan 8.240 nan 0.000 0.439 77 V N 3.383 122.888 119.914 -0.681 0.000 2.481 77 V HA 0.537 4.660 4.120 0.005 0.000 0.286 77 V C 0.145 175.708 176.094 -0.885 0.000 1.042 77 V CA -0.634 61.142 62.300 -0.873 0.000 0.928 77 V CB 1.593 32.515 31.823 -1.502 0.000 0.986 77 V HN 0.874 nan 8.190 nan 0.000 0.462 78 E N 3.053 122.918 120.200 -0.559 0.000 2.246 78 E HA 0.694 5.047 4.350 0.005 0.000 0.266 78 E C -1.943 174.464 176.600 -0.322 0.000 0.880 78 E CA -0.442 55.705 56.400 -0.422 0.000 0.762 78 E CB 2.196 31.730 29.700 -0.277 0.000 1.180 78 E HN 0.449 nan 8.360 nan 0.000 0.416 79 V N 3.493 123.230 119.914 -0.295 0.000 2.569 79 V HA 0.338 4.461 4.120 0.005 0.000 0.301 79 V C -0.521 175.519 176.094 -0.090 0.000 1.044 79 V CA -0.774 61.359 62.300 -0.279 0.000 0.874 79 V CB 2.129 33.611 31.823 -0.568 0.000 1.002 79 V HN 0.765 nan 8.190 nan 0.000 0.424 80 T N 4.586 119.088 114.554 -0.087 0.000 2.738 80 T HA 0.425 4.778 4.350 0.005 0.000 0.298 80 T C -0.135 174.596 174.700 0.051 0.000 0.962 80 T CA -0.209 61.893 62.100 0.003 0.000 0.972 80 T CB 0.950 69.820 68.868 0.003 0.000 0.928 80 T HN 0.361 nan 8.240 nan 0.000 0.474 81 V N 6.105 126.098 119.914 0.132 0.000 2.364 81 V HA 0.416 4.539 4.120 0.005 0.000 0.272 81 V C 0.148 176.325 176.094 0.138 0.000 1.036 81 V CA -0.711 61.713 62.300 0.206 0.000 0.880 81 V CB 0.682 32.705 31.823 0.334 0.000 0.991 81 V HN 0.783 nan 8.190 nan 0.000 0.460 82 I N 4.461 125.111 120.570 0.134 0.000 2.330 82 I HA 0.355 4.527 4.170 0.005 0.000 0.289 82 I C 0.112 176.265 176.117 0.061 0.000 1.001 82 I CA -0.403 60.944 61.300 0.078 0.000 1.193 82 I CB 1.371 39.414 38.000 0.070 0.000 1.345 82 I HN 0.462 nan 8.210 nan 0.000 0.461 83 N N 6.058 124.769 118.700 0.018 0.000 2.469 83 N HA 0.149 4.892 4.740 0.005 0.000 0.239 83 N C -0.119 175.373 175.510 -0.030 0.000 1.053 83 N CA 0.070 53.108 53.050 -0.021 0.000 0.937 83 N CB 0.322 38.764 38.487 -0.074 0.000 1.163 83 N HN 0.442 nan 8.380 nan 0.000 0.509 84 N N 3.316 122.009 118.700 -0.013 0.000 2.273 84 N HA 0.148 4.891 4.740 0.005 0.000 0.231 84 N C -0.005 175.495 175.510 -0.017 0.000 1.134 84 N CA -0.095 52.948 53.050 -0.011 0.000 0.856 84 N CB 0.594 39.087 38.487 0.010 0.000 1.068 84 N HN 0.472 nan 8.380 nan 0.000 0.510 85 L N -0.169 121.031 121.223 -0.038 0.000 2.476 85 L HA 0.155 4.497 4.340 0.005 0.000 0.255 85 L C 1.876 178.735 176.870 -0.019 0.000 1.218 85 L CA -0.382 54.441 54.840 -0.028 0.000 0.819 85 L CB 0.694 42.721 42.059 -0.053 0.000 1.119 85 L HN -0.161 nan 8.230 nan 0.000 0.485 86 V N -0.684 119.244 119.914 0.023 0.000 2.300 86 V HA -0.144 3.978 4.120 0.005 0.000 0.241 86 V C 1.944 178.084 176.094 0.078 0.000 1.034 86 V CA 2.164 64.494 62.300 0.051 0.000 1.021 86 V CB -0.485 31.387 31.823 0.082 0.000 0.662 86 V HN 1.082 nan 8.190 nan 0.000 0.458 87 T N -3.881 110.760 114.554 0.146 0.000 3.019 87 T HA 0.149 4.502 4.350 0.005 0.000 0.247 87 T C 0.745 175.611 174.700 0.277 0.000 0.992 87 T CA -0.135 62.126 62.100 0.269 0.000 1.036 87 T CB -0.440 68.663 68.868 0.392 0.000 1.063 87 T HN 0.358 nan 8.240 nan 0.000 0.476 88 N N 1.579 120.374 118.700 0.159 0.000 2.479 88 N HA 0.417 5.160 4.740 0.005 0.000 0.257 88 N C 0.331 175.605 175.510 -0.392 0.000 1.232 88 N CA -0.032 52.994 53.050 -0.040 0.000 0.920 88 N CB 0.752 39.166 38.487 -0.122 0.000 1.105 88 N HN 0.527 nan 8.380 nan 0.000 0.444 89 G N -0.207 107.978 108.800 -1.025 0.000 2.537 89 G HA2 0.453 4.416 3.960 0.005 0.000 0.297 89 G HA3 0.453 4.416 3.960 0.005 0.000 0.297 89 G C -0.524 173.520 174.900 -1.426 0.000 1.310 89 G CA -0.078 44.398 45.100 -1.040 0.000 1.027 89 G HN 0.435 nan 8.290 nan 0.000 0.505 90 T N -1.806 112.248 114.554 -0.832 0.000 2.802 90 T HA 0.591 4.944 4.350 0.005 0.000 0.311 90 T C -1.341 173.235 174.700 -0.207 0.000 1.405 90 T CA 0.063 61.889 62.100 -0.455 0.000 1.016 90 T CB 1.364 70.084 68.868 -0.246 0.000 1.352 90 T HN 1.546 nan 8.240 nan 0.000 0.498 91 S N 2.736 118.410 115.700 -0.043 0.000 2.616 91 S HA 0.519 4.992 4.470 0.005 0.000 0.276 91 S C -1.331 173.270 174.600 0.001 0.000 1.159 91 S CA -0.952 57.287 58.200 0.065 0.000 1.000 91 S CB 0.562 63.798 63.200 0.060 0.000 1.117 91 S HN 0.625 nan 8.310 nan 0.000 0.464 92 I N 4.291 124.791 120.570 -0.117 0.000 2.325 92 I HA 0.353 4.526 4.170 0.005 0.000 0.291 92 I C 0.405 175.938 176.117 -0.973 0.000 1.019 92 I CA -0.131 60.828 61.300 -0.568 0.000 1.302 92 I CB 0.203 37.769 38.000 -0.723 0.000 1.401 92 I HN 0.926 nan 8.210 nan 0.000 0.485 93 H N 6.570 125.059 119.070 -0.968 0.000 2.489 93 H HA 0.361 4.920 4.556 0.005 0.000 0.322 93 H C -1.386 173.253 175.328 -1.148 0.000 1.091 93 H CA -0.722 54.774 56.048 -0.919 0.000 1.291 93 H CB 0.698 30.086 29.762 -0.623 0.000 1.436 93 H HN 0.409 nan 8.280 nan 0.000 0.480 94 W N 5.362 126.195 121.300 -0.778 0.000 2.175 94 W HA 0.201 4.865 4.660 0.006 0.000 0.350 94 W C -0.015 175.906 176.519 -0.996 0.000 0.877 94 W CA -0.924 55.973 57.345 -0.747 0.000 1.544 94 W CB -0.456 28.550 29.460 -0.756 0.000 1.585 94 W HN 0.689 nan 8.180 nan 0.000 0.347 95 H N 1.618 119.970 119.070 -1.196 0.000 3.107 95 H HA 0.314 4.872 4.556 0.004 0.000 0.301 95 H C 1.458 176.518 175.328 -0.448 0.000 0.981 95 H CA 1.912 57.398 56.048 -0.935 0.000 1.443 95 H CB 0.466 29.518 29.762 -1.182 0.000 1.479 95 H HN 0.758 nan 8.280 nan 0.000 0.564 96 G N 4.628 113.348 108.800 -0.132 0.000 2.308 96 G HA2 -0.255 3.708 3.960 0.005 0.000 0.221 96 G HA3 -0.255 3.708 3.960 0.005 0.000 0.221 96 G C -0.000 174.770 174.900 -0.215 0.000 1.032 96 G CA 0.020 45.085 45.100 -0.058 0.000 0.623 96 G HN 0.576 nan 8.290 nan 0.000 0.506 97 I N 3.334 123.715 120.570 -0.315 0.000 2.406 97 I HA 0.257 4.430 4.170 0.005 0.000 0.293 97 I C 1.532 177.511 176.117 -0.230 0.000 1.101 97 I CA -0.296 60.747 61.300 -0.429 0.000 1.334 97 I CB 0.276 37.779 38.000 -0.828 0.000 1.421 97 I HN 0.101 nan 8.210 nan 0.000 0.513 98 H N 5.355 124.264 119.070 -0.268 0.000 2.489 98 H HA -0.097 4.461 4.556 0.004 0.000 0.295 98 H C 0.512 175.654 175.328 -0.309 0.000 1.082 98 H CA 0.487 56.335 56.048 -0.332 0.000 1.295 98 H CB 0.022 29.611 29.762 -0.288 0.000 1.380 98 H HN 0.456 nan 8.280 nan 0.000 0.548 99 Q N -0.076 119.716 119.800 -0.014 0.000 2.452 99 Q HA -0.215 4.128 4.340 0.005 0.000 0.318 99 Q C 0.081 176.187 176.000 0.177 0.000 1.386 99 Q CA 0.584 56.464 55.803 0.127 0.000 0.872 99 Q CB -1.680 27.245 28.738 0.311 0.000 1.151 99 Q HN 0.439 nan 8.270 nan 0.000 0.417 100 K N 2.340 122.802 120.400 0.104 0.000 2.319 100 K HA -0.049 4.274 4.320 0.005 0.000 0.277 100 K C 0.043 176.732 176.600 0.149 0.000 1.111 100 K CA 0.818 57.167 56.287 0.104 0.000 1.093 100 K CB 0.019 32.573 32.500 0.090 0.000 0.910 100 K HN 0.266 nan 8.250 nan 0.000 0.452 101 D N 2.470 122.984 120.400 0.190 0.000 3.012 101 D HA -0.168 4.475 4.640 0.005 0.000 0.222 101 D C -0.565 175.842 176.300 0.179 0.000 1.167 101 D CA 1.646 55.749 54.000 0.172 0.000 0.854 101 D CB -1.441 39.431 40.800 0.119 0.000 1.107 101 D HN 0.735 nan 8.370 nan 0.000 0.421 102 T N -3.061 111.638 114.554 0.241 0.000 3.533 102 T HA 0.167 4.520 4.350 0.005 0.000 0.275 102 T C 0.897 175.801 174.700 0.341 0.000 1.000 102 T CA -0.288 61.984 62.100 0.287 0.000 1.015 102 T CB 0.273 69.293 68.868 0.253 0.000 1.153 102 T HN 0.162 nan 8.240 nan 0.000 0.504 103 N N 1.237 120.077 118.700 0.233 0.000 2.132 103 N HA -0.106 4.637 4.740 0.005 0.000 0.191 103 N C 1.488 177.021 175.510 0.039 0.000 1.015 103 N CA 1.160 54.230 53.050 0.032 0.000 0.864 103 N CB -0.150 38.145 38.487 -0.319 0.000 1.006 103 N HN 0.518 nan 8.380 nan 0.000 0.430 104 L N -0.220 121.028 121.223 0.041 0.000 2.549 104 L HA -0.096 4.246 4.340 0.005 0.000 0.229 104 L C 1.143 177.997 176.870 -0.025 0.000 1.158 104 L CA 0.682 55.505 54.840 -0.030 0.000 0.842 104 L CB -0.442 41.545 42.059 -0.120 0.000 0.952 104 L HN 0.357 nan 8.230 nan 0.000 0.452 105 H N -1.916 117.326 119.070 0.286 0.000 2.549 105 H HA 0.013 4.572 4.556 0.005 0.000 0.279 105 H C 1.069 176.748 175.328 0.585 0.000 1.018 105 H CA 0.094 56.436 56.048 0.490 0.000 1.175 105 H CB 0.510 30.528 29.762 0.426 0.000 1.485 105 H HN 0.267 nan 8.280 nan 0.000 0.543 106 D N 0.695 121.394 120.400 0.497 0.000 2.219 106 D HA -0.066 4.577 4.640 0.005 0.000 0.205 106 D C 1.730 178.270 176.300 0.400 0.000 0.970 106 D CA 1.196 55.476 54.000 0.466 0.000 0.851 106 D CB 0.016 41.067 40.800 0.420 0.000 0.943 106 D HN 0.541 nan 8.370 nan 0.000 0.488 107 G N -0.663 108.375 108.800 0.395 0.000 2.176 107 G HA2 -0.178 3.785 3.960 0.005 0.000 0.252 107 G HA3 -0.178 3.785 3.960 0.005 0.000 0.252 107 G C 0.244 175.226 174.900 0.136 0.000 1.024 107 G CA 0.365 45.629 45.100 0.273 0.000 0.755 107 G HN 0.693 nan 8.290 nan 0.000 0.507 108 A N 0.874 123.747 122.820 0.087 0.000 2.444 108 A HA 0.613 4.936 4.320 0.005 0.000 0.332 108 A C 0.675 178.242 177.584 -0.028 0.000 1.430 108 A CA -0.018 51.976 52.037 -0.071 0.000 0.975 108 A CB -0.178 18.718 19.000 -0.174 0.000 1.147 108 A HN 0.863 nan 8.150 nan 0.000 0.524 109 N N 1.678 120.383 118.700 0.009 0.000 2.454 109 N HA 0.298 5.040 4.740 0.005 0.000 0.254 109 N C 0.945 176.521 175.510 0.110 0.000 1.228 109 N CA 0.324 53.392 53.050 0.029 0.000 0.900 109 N CB 0.659 39.105 38.487 -0.068 0.000 1.089 109 N HN 1.079 nan 8.380 nan 0.000 0.449 110 G N -0.027 108.857 108.800 0.140 0.000 2.205 110 G HA2 -0.290 3.673 3.960 0.005 0.000 0.261 110 G HA3 -0.290 3.673 3.960 0.005 0.000 0.261 110 G C 0.389 175.326 174.900 0.063 0.000 0.980 110 G CA 0.475 45.664 45.100 0.147 0.000 0.632 110 G HN 0.520 nan 8.290 nan 0.000 0.533 111 V N 0.020 119.948 119.914 0.023 0.000 3.444 111 V HA 0.199 4.322 4.120 0.005 0.000 0.210 111 V C 2.511 178.599 176.094 -0.011 0.000 1.217 111 V CA 2.415 64.690 62.300 -0.043 0.000 1.302 111 V CB 0.016 31.754 31.823 -0.141 0.000 1.341 111 V HN 0.715 nan 8.190 nan 0.000 0.522 112 T N -0.775 113.779 114.554 0.001 0.000 3.044 112 T HA 0.247 4.600 4.350 0.005 0.000 0.250 112 T C 0.328 175.146 174.700 0.197 0.000 1.081 112 T CA 0.497 62.609 62.100 0.020 0.000 1.040 112 T CB -0.091 68.772 68.868 -0.008 0.000 0.962 112 T HN 0.760 nan 8.240 nan 0.000 0.506 113 E N -1.124 119.222 120.200 0.244 0.000 2.422 113 E HA 0.455 4.808 4.350 0.005 0.000 0.280 113 E C -1.641 174.980 176.600 0.035 0.000 1.091 113 E CA -1.191 55.355 56.400 0.243 0.000 0.849 113 E CB 0.536 30.314 29.700 0.129 0.000 1.353 113 E HN 0.063 nan 8.360 nan 0.000 0.449 114 c N 1.182 119.687 118.600 -0.158 0.000 2.398 114 c HA 0.552 5.125 4.570 0.005 0.000 0.364 114 c C -2.158 171.702 174.090 -0.385 0.000 1.219 114 c CA -1.051 55.121 56.329 -0.261 0.000 2.312 114 c CB 0.342 42.717 42.510 -0.225 0.000 2.428 114 c HN 0.589 nan 8.230 nan 0.000 0.564 115 P HA 0.212 nan 4.420 nan 0.000 0.272 115 P C -0.734 176.250 177.300 -0.527 0.000 1.223 115 P CA 0.093 62.725 63.100 -0.780 0.000 0.784 115 P CB 0.257 31.093 31.700 -1.441 0.000 0.923 116 I N 4.347 124.725 120.570 -0.320 0.000 2.452 116 I HA 0.141 4.313 4.170 0.005 0.000 0.287 116 I C -1.702 174.350 176.117 -0.109 0.000 1.079 116 I CA -2.032 59.182 61.300 -0.145 0.000 1.387 116 I CB 0.326 38.273 38.000 -0.089 0.000 1.404 116 I HN 0.184 nan 8.210 nan 0.000 0.522 117 P HA 0.135 nan 4.420 nan 0.000 0.269 117 P C -2.530 174.683 177.300 -0.145 0.000 1.209 117 P CA -1.156 62.008 63.100 0.107 0.000 0.776 117 P CB 0.077 31.880 31.700 0.171 0.000 0.876 118 P HA 0.021 nan 4.420 nan 0.000 0.293 118 P C -0.216 176.957 177.300 -0.212 0.000 1.298 118 P CA -0.053 62.877 63.100 -0.282 0.000 0.757 118 P CB 0.198 31.700 31.700 -0.331 0.000 1.262 119 K N -1.140 119.188 120.400 -0.119 0.000 3.150 119 K HA -0.192 4.131 4.320 0.005 0.000 0.267 119 K C 0.901 177.482 176.600 -0.031 0.000 1.028 119 K CA 1.119 57.374 56.287 -0.053 0.000 0.753 119 K CB -2.637 29.845 32.500 -0.030 0.000 1.288 119 K HN 1.071 nan 8.250 nan 0.000 0.473 120 G N -1.600 107.183 108.800 -0.028 0.000 2.163 120 G HA2 -0.198 3.765 3.960 0.005 0.000 0.213 120 G HA3 -0.198 3.765 3.960 0.005 0.000 0.213 120 G C 0.455 175.351 174.900 -0.008 0.000 0.991 120 G CA 0.204 45.298 45.100 -0.009 0.000 0.653 120 G HN 0.816 nan 8.290 nan 0.000 0.518 121 G N -0.575 108.211 108.800 -0.024 0.000 2.491 121 G HA2 0.471 4.434 3.960 0.005 0.000 0.238 121 G HA3 0.471 4.434 3.960 0.005 0.000 0.238 121 G C -0.115 174.782 174.900 -0.005 0.000 1.277 121 G CA 0.787 45.879 45.100 -0.014 0.000 0.851 121 G HN 0.622 nan 8.290 nan 0.000 0.573 122 Q N -0.213 119.584 119.800 -0.005 0.000 2.421 122 Q HA 0.647 4.990 4.340 0.005 0.000 0.280 122 Q C -0.863 175.119 176.000 -0.030 0.000 1.085 122 Q CA -0.989 54.812 55.803 -0.004 0.000 0.807 122 Q CB 2.146 30.884 28.738 0.001 0.000 1.405 122 Q HN 0.578 nan 8.270 nan 0.000 0.419 123 R N 1.279 121.756 120.500 -0.039 0.000 2.644 123 R HA 0.338 4.680 4.340 0.005 0.000 0.257 123 R C -1.905 174.331 176.300 -0.106 0.000 1.082 123 R CA -0.261 55.769 56.100 -0.117 0.000 0.927 123 R CB 2.225 32.392 30.300 -0.223 0.000 1.258 123 R HN 0.763 nan 8.270 nan 0.000 0.459 124 T N 4.012 118.492 114.554 -0.124 0.000 2.786 124 T HA 0.462 4.815 4.350 0.005 0.000 0.283 124 T C -0.891 173.793 174.700 -0.027 0.000 0.992 124 T CA -0.296 61.778 62.100 -0.044 0.000 0.954 124 T CB 0.487 69.342 68.868 -0.022 0.000 0.934 124 T HN 0.263 nan 8.240 nan 0.000 0.440 125 Y N 1.906 122.269 120.300 0.105 0.000 2.352 125 Y HA 0.636 5.189 4.550 0.004 0.000 0.326 125 Y C 0.877 176.742 175.900 -0.058 0.000 1.166 125 Y CA -0.846 57.395 58.100 0.234 0.000 1.182 125 Y CB 1.202 39.842 38.460 0.300 0.000 1.216 125 Y HN 0.341 nan 8.280 nan 0.000 0.474 126 R N 4.357 124.861 120.500 0.007 0.000 2.510 126 R HA 0.319 4.661 4.340 0.005 0.000 0.287 126 R C -2.099 173.969 176.300 -0.387 0.000 1.084 126 R CA -0.581 55.306 56.100 -0.356 0.000 0.934 126 R CB 1.352 31.479 30.300 -0.288 0.000 1.201 126 R HN 0.920 nan 8.270 nan 0.000 0.431 127 W N 2.657 123.744 121.300 -0.355 0.000 3.167 127 W HA 0.490 5.153 4.660 0.004 0.000 0.324 127 W C -1.461 174.951 176.519 -0.178 0.000 1.230 127 W CA -1.134 56.050 57.345 -0.268 0.000 1.184 127 W CB 0.714 30.021 29.460 -0.254 0.000 1.414 127 W HN 0.400 nan 8.180 nan 0.000 0.551 128 R N 1.771 122.409 120.500 0.229 0.000 2.349 128 R HA 0.559 4.902 4.340 0.005 0.000 0.299 128 R C -0.125 176.367 176.300 0.321 0.000 1.027 128 R CA -0.108 56.089 56.100 0.163 0.000 0.958 128 R CB 1.330 31.691 30.300 0.102 0.000 1.047 128 R HN 0.555 nan 8.270 nan 0.000 0.468 129 A N 5.309 128.287 122.820 0.263 0.000 2.922 129 A HA 0.210 4.532 4.320 0.005 0.000 0.298 129 A C 0.250 178.017 177.584 0.305 0.000 1.588 129 A CA -0.342 51.888 52.037 0.321 0.000 1.288 129 A CB -0.225 18.936 19.000 0.269 0.000 1.130 129 A HN 0.914 nan 8.150 nan 0.000 0.557 130 R N 0.417 121.069 120.500 0.253 0.000 2.310 130 R HA 0.056 4.399 4.340 0.005 0.000 0.202 130 R C -0.236 176.236 176.300 0.287 0.000 0.933 130 R CA 0.544 56.837 56.100 0.322 0.000 1.054 130 R CB 0.219 30.660 30.300 0.234 0.000 0.985 130 R HN 0.758 nan 8.270 nan 0.000 0.489 131 Q N 0.264 120.086 119.800 0.037 0.000 2.375 131 Q HA 0.284 4.627 4.340 0.005 0.000 0.271 131 Q C -1.557 174.217 176.000 -0.378 0.000 1.074 131 Q CA -1.072 54.533 55.803 -0.331 0.000 0.808 131 Q CB 2.159 30.632 28.738 -0.443 0.000 1.327 131 Q HN 0.098 nan 8.270 nan 0.000 0.441 132 Y N -0.751 119.095 120.300 -0.757 0.000 2.352 132 Y HA 0.918 5.471 4.550 0.005 0.000 0.339 132 Y C 0.357 175.963 175.900 -0.492 0.000 0.992 132 Y CA -0.480 57.238 58.100 -0.636 0.000 1.100 132 Y CB 1.455 39.363 38.460 -0.920 0.000 1.192 132 Y HN 0.778 nan 8.280 nan 0.000 0.458 133 G N 1.280 109.934 108.800 -0.244 0.000 2.373 133 G HA2 0.307 4.269 3.960 0.005 0.000 0.250 133 G HA3 0.307 4.269 3.960 0.005 0.000 0.250 133 G C -1.481 173.346 174.900 -0.123 0.000 1.304 133 G CA -0.639 44.330 45.100 -0.218 0.000 0.948 133 G HN 0.669 nan 8.290 nan 0.000 0.474 134 T N 0.806 115.288 114.554 -0.121 0.000 2.797 134 T HA 0.822 5.175 4.350 0.005 0.000 0.279 134 T C -0.163 174.505 174.700 -0.054 0.000 0.991 134 T CA 0.042 62.101 62.100 -0.068 0.000 0.979 134 T CB 1.510 70.336 68.868 -0.070 0.000 0.943 134 T HN 0.758 nan 8.240 nan 0.000 0.444 135 S N 1.251 116.960 115.700 0.016 0.000 2.880 135 S HA 0.828 5.301 4.470 0.005 0.000 0.308 135 S C -1.741 172.991 174.600 0.220 0.000 1.195 135 S CA -0.978 57.280 58.200 0.097 0.000 0.866 135 S CB 1.434 64.653 63.200 0.031 0.000 1.254 135 S HN 0.834 nan 8.310 nan 0.000 0.571 136 W N 0.586 121.807 121.300 -0.131 0.000 2.959 136 W HA 0.679 5.341 4.660 0.004 0.000 0.358 136 W C -2.461 174.019 176.519 -0.065 0.000 1.228 136 W CA -1.186 56.064 57.345 -0.158 0.000 1.183 136 W CB -0.127 29.143 29.460 -0.317 0.000 1.467 136 W HN 0.767 nan 8.180 nan 0.000 0.578 137 Y N 0.168 120.438 120.300 -0.051 0.000 2.570 137 Y HA 0.825 5.378 4.550 0.004 0.000 0.345 137 Y C -0.688 175.006 175.900 -0.343 0.000 1.014 137 Y CA -1.284 56.569 58.100 -0.413 0.000 1.063 137 Y CB 1.722 39.986 38.460 -0.328 0.000 1.272 137 Y HN 0.763 nan 8.280 nan 0.000 0.477 138 H N -1.713 117.094 119.070 -0.438 0.000 2.987 138 H HA 0.533 5.091 4.556 0.004 0.000 0.316 138 H C -1.408 173.759 175.328 -0.268 0.000 1.380 138 H CA -1.003 54.821 56.048 -0.373 0.000 1.160 138 H CB 0.959 30.256 29.762 -0.775 0.000 1.865 138 H HN 0.790 nan 8.280 nan 0.000 0.521 139 S N -0.611 115.123 115.700 0.057 0.000 2.603 139 S HA 0.114 4.587 4.470 0.005 0.000 0.268 139 S C -0.099 174.592 174.600 0.152 0.000 1.317 139 S CA -0.316 57.936 58.200 0.087 0.000 1.012 139 S CB 0.200 63.504 63.200 0.173 0.000 0.926 139 S HN 0.798 nan 8.310 nan 0.000 0.539 140 H N 2.267 121.414 119.070 0.130 0.000 2.916 140 H HA 0.244 4.803 4.556 0.004 0.000 0.262 140 H C -0.988 174.438 175.328 0.163 0.000 1.178 140 H CA -0.345 55.781 56.048 0.130 0.000 1.090 140 H CB -0.034 29.740 29.762 0.021 0.000 1.657 140 H HN 0.565 nan 8.280 nan 0.000 0.601 141 F N 2.005 122.028 119.950 0.121 0.000 2.462 141 F HA 0.247 4.776 4.527 0.003 0.000 0.354 141 F C 0.963 176.872 175.800 0.182 0.000 1.192 141 F CA 0.253 58.270 58.000 0.029 0.000 1.173 141 F CB -0.116 38.782 39.000 -0.171 0.000 1.402 141 F HN 0.066 nan 8.300 nan 0.000 0.595 142 S N 2.646 118.422 115.700 0.127 0.000 4.112 142 S HA -0.330 4.143 4.470 0.005 0.000 0.602 142 S C 0.750 175.449 174.600 0.164 0.000 1.939 142 S CA 1.167 59.453 58.200 0.143 0.000 4.230 142 S CB -1.440 61.834 63.200 0.123 0.000 0.245 142 S HN 1.112 nan 8.310 nan 0.000 0.530 143 A N 0.647 123.556 122.820 0.149 0.000 2.637 143 A HA 0.440 4.763 4.320 0.005 0.000 0.293 143 A C 1.223 178.838 177.584 0.052 0.000 1.216 143 A CA 0.830 52.897 52.037 0.050 0.000 0.956 143 A CB -0.091 18.928 19.000 0.033 0.000 1.174 143 A HN 0.566 nan 8.150 nan 0.000 0.525 144 Q N -0.460 119.455 119.800 0.191 0.000 2.248 144 Q HA -0.250 4.093 4.340 0.005 0.000 0.208 144 Q C 1.512 177.609 176.000 0.162 0.000 0.984 144 Q CA 2.292 58.215 55.803 0.201 0.000 0.875 144 Q CB -0.345 28.565 28.738 0.287 0.000 0.910 144 Q HN 0.985 nan 8.270 nan 0.000 0.433 145 Y N -2.429 117.921 120.300 0.085 0.000 2.574 145 Y HA 0.177 4.730 4.550 0.005 0.000 0.294 145 Y C 1.702 177.639 175.900 0.061 0.000 1.142 145 Y CA 0.891 59.033 58.100 0.069 0.000 1.314 145 Y CB -0.709 37.799 38.460 0.081 0.000 0.991 145 Y HN -0.001 nan 8.280 nan 0.000 0.555 146 G N 0.698 109.336 108.800 -0.269 0.000 2.534 146 G HA2 -0.208 3.755 3.960 0.005 0.000 0.217 146 G HA3 -0.208 3.755 3.960 0.005 0.000 0.217 146 G C 1.238 176.136 174.900 -0.003 0.000 1.128 146 G CA 0.592 45.573 45.100 -0.198 0.000 0.784 146 G HN 0.401 nan 8.290 nan 0.000 0.542 147 N N 0.253 118.964 118.700 0.019 0.000 2.422 147 N HA 0.133 4.876 4.740 0.005 0.000 0.181 147 N C 1.653 177.152 175.510 -0.018 0.000 1.080 147 N CA 1.015 54.073 53.050 0.013 0.000 0.893 147 N CB 0.598 39.095 38.487 0.017 0.000 0.973 147 N HN 0.424 nan 8.380 nan 0.000 0.456 148 G N -0.964 107.852 108.800 0.027 0.000 2.425 148 G HA2 -0.200 3.763 3.960 0.005 0.000 0.177 148 G HA3 -0.200 3.763 3.960 0.005 0.000 0.177 148 G C -0.210 174.704 174.900 0.023 0.000 0.999 148 G CA -0.268 44.833 45.100 0.000 0.000 0.723 148 G HN 0.095 nan 8.290 nan 0.000 0.491 149 V N 1.704 121.661 119.914 0.073 0.000 2.157 149 V HA 0.541 4.664 4.120 0.005 0.000 0.241 149 V C 0.506 176.675 176.094 0.125 0.000 1.349 149 V CA 0.446 62.795 62.300 0.081 0.000 1.319 149 V CB 0.286 32.167 31.823 0.097 0.000 1.421 149 V HN 0.578 nan 8.190 nan 0.000 0.501 150 V N 2.638 122.579 119.914 0.044 0.000 3.216 150 V HA 1.044 5.167 4.120 0.005 0.000 0.302 150 V C -0.063 175.829 176.094 -0.336 0.000 1.286 150 V CA 0.392 62.668 62.300 -0.039 0.000 1.048 150 V CB 2.559 34.464 31.823 0.135 0.000 1.081 150 V HN 0.783 nan 8.190 nan 0.000 0.442 151 G N 1.259 109.615 108.800 -0.740 0.000 2.356 151 G HA2 0.592 4.554 3.960 0.005 0.000 0.294 151 G HA3 0.592 4.554 3.960 0.005 0.000 0.294 151 G C -0.763 173.658 174.900 -0.799 0.000 1.423 151 G CA 0.186 44.739 45.100 -0.912 0.000 0.806 151 G HN 1.377 nan 8.290 nan 0.000 0.527 152 T N -1.876 112.480 114.554 -0.330 0.000 2.945 152 T HA 0.801 5.154 4.350 0.005 0.000 0.286 152 T C -0.325 174.478 174.700 0.171 0.000 1.025 152 T CA -0.701 61.370 62.100 -0.048 0.000 1.039 152 T CB 1.699 70.546 68.868 -0.035 0.000 1.068 152 T HN 0.572 nan 8.240 nan 0.000 0.497 153 I N 1.332 122.021 120.570 0.198 0.000 2.466 153 I HA 0.384 4.557 4.170 0.005 0.000 0.289 153 I C -0.362 175.841 176.117 0.143 0.000 1.026 153 I CA -0.702 60.744 61.300 0.243 0.000 1.078 153 I CB 2.231 40.428 38.000 0.329 0.000 1.249 153 I HN 0.661 nan 8.210 nan 0.000 0.429 154 Q N 6.827 126.708 119.800 0.135 0.000 2.401 154 Q HA 0.433 4.776 4.340 0.005 0.000 0.260 154 Q C -1.452 174.612 176.000 0.107 0.000 1.034 154 Q CA -0.645 55.214 55.803 0.093 0.000 0.737 154 Q CB 1.292 30.080 28.738 0.083 0.000 1.227 154 Q HN 0.501 nan 8.270 nan 0.000 0.488 155 I N 3.901 124.519 120.570 0.079 0.000 2.306 155 I HA 0.243 4.416 4.170 0.005 0.000 0.288 155 I C 0.004 176.136 176.117 0.024 0.000 1.036 155 I CA -0.556 60.794 61.300 0.083 0.000 1.221 155 I CB 0.495 38.547 38.000 0.087 0.000 1.385 155 I HN 0.554 nan 8.210 nan 0.000 0.472 156 N N 4.627 123.357 118.700 0.051 0.000 2.479 156 N HA 0.509 5.251 4.740 0.005 0.000 0.257 156 N C 0.498 175.752 175.510 -0.427 0.000 1.232 156 N CA 0.273 53.308 53.050 -0.024 0.000 0.920 156 N CB 1.919 40.521 38.487 0.193 0.000 1.105 156 N HN 0.865 nan 8.380 nan 0.000 0.444 157 G N 0.674 109.019 108.800 -0.757 0.000 2.490 157 G HA2 0.356 4.319 3.960 0.005 0.000 0.308 157 G HA3 0.356 4.319 3.960 0.005 0.000 0.308 157 G C -3.126 171.241 174.900 -0.887 0.000 1.286 157 G CA -0.530 43.627 45.100 -1.571 0.000 0.825 157 G HN 0.327 nan 8.290 nan 0.000 0.479 158 P HA 0.589 nan 4.420 nan 0.000 0.277 158 P C -0.510 176.795 177.300 0.008 0.000 1.271 158 P CA 0.061 63.061 63.100 -0.166 0.000 0.795 158 P CB 1.824 33.463 31.700 -0.102 0.000 1.101 159 A N -0.163 122.735 122.820 0.130 0.000 2.532 159 A HA 0.507 4.830 4.320 0.005 0.000 0.290 159 A C 0.725 178.406 177.584 0.161 0.000 1.143 159 A CA -0.207 51.950 52.037 0.200 0.000 0.728 159 A CB 0.632 19.857 19.000 0.375 0.000 1.317 159 A HN 0.471 nan 8.150 nan 0.000 0.414 160 S N -0.687 115.102 115.700 0.148 0.000 2.631 160 S HA 0.456 4.928 4.470 0.005 0.000 0.217 160 S C -0.097 174.571 174.600 0.114 0.000 0.958 160 S CA 0.277 58.548 58.200 0.119 0.000 0.920 160 S CB -0.564 62.696 63.200 0.099 0.000 0.776 160 S HN 0.841 nan 8.310 nan 0.000 0.517 161 L N 1.578 122.890 121.223 0.148 0.000 2.545 161 L HA 0.546 4.889 4.340 0.005 0.000 0.258 161 L C -2.769 174.205 176.870 0.174 0.000 0.942 161 L CA -1.645 53.280 54.840 0.142 0.000 0.855 161 L CB 2.111 44.253 42.059 0.138 0.000 1.374 161 L HN -0.157 nan 8.230 nan 0.000 0.411 162 P HA 0.340 nan 4.420 nan 0.000 0.275 162 P C -1.880 175.487 177.300 0.113 0.000 1.228 162 P CA 0.100 63.208 63.100 0.013 0.000 0.786 162 P CB 0.632 32.330 31.700 -0.004 0.000 0.927 163 Y N -1.396 118.908 120.300 0.007 0.000 2.624 163 Y HA 0.421 4.974 4.550 0.005 0.000 0.334 163 Y C 0.203 176.083 175.900 -0.035 0.000 1.155 163 Y CA -0.936 57.155 58.100 -0.015 0.000 1.046 163 Y CB 0.298 38.755 38.460 -0.005 0.000 1.316 163 Y HN 0.140 nan 8.280 nan 0.000 0.457 164 D N 1.389 121.853 120.400 0.107 0.000 2.269 164 D HA 0.185 4.828 4.640 0.005 0.000 0.220 164 D C 0.187 176.520 176.300 0.055 0.000 0.962 164 D CA 1.164 55.164 54.000 0.000 0.000 0.884 164 D CB 1.082 41.834 40.800 -0.080 0.000 1.023 164 D HN 0.455 nan 8.370 nan 0.000 0.484 165 I N 0.987 121.587 120.570 0.051 0.000 2.603 165 I HA 0.170 4.343 4.170 0.005 0.000 0.300 165 I C -0.586 175.608 176.117 0.128 0.000 1.017 165 I CA -0.776 60.556 61.300 0.052 0.000 1.098 165 I CB 2.426 40.376 38.000 -0.083 0.000 1.279 165 I HN -0.269 nan 8.210 nan 0.000 0.437 166 D N 5.821 126.291 120.400 0.117 0.000 2.460 166 D HA 0.299 4.941 4.640 0.005 0.000 0.232 166 D C 0.578 176.885 176.300 0.013 0.000 1.079 166 D CA -0.290 53.741 54.000 0.051 0.000 0.864 166 D CB 1.300 42.180 40.800 0.134 0.000 1.048 166 D HN 0.420 nan 8.370 nan 0.000 0.523 167 L N 2.747 123.951 121.223 -0.033 0.000 2.465 167 L HA 0.155 4.497 4.340 0.005 0.000 0.224 167 L C 1.616 178.446 176.870 -0.067 0.000 1.145 167 L CA 0.660 55.456 54.840 -0.073 0.000 0.834 167 L CB -0.665 41.296 42.059 -0.164 0.000 0.944 167 L HN 0.661 nan 8.230 nan 0.000 0.451 168 G N -0.127 108.647 108.800 -0.042 0.000 2.584 168 G HA2 -0.240 3.723 3.960 0.005 0.000 0.229 168 G HA3 -0.240 3.723 3.960 0.005 0.000 0.229 168 G C -0.207 174.687 174.900 -0.009 0.000 1.320 168 G CA -0.369 44.723 45.100 -0.012 0.000 0.891 168 G HN 0.252 nan 8.290 nan 0.000 0.573 169 V N -2.826 117.099 119.914 0.019 0.000 2.811 169 V HA 0.698 4.821 4.120 0.005 0.000 0.302 169 V C 0.299 176.467 176.094 0.124 0.000 1.063 169 V CA 0.151 62.473 62.300 0.037 0.000 1.088 169 V CB 1.413 33.241 31.823 0.009 0.000 0.982 169 V HN 1.610 nan 8.190 nan 0.000 0.485 170 F N 6.214 126.087 119.950 -0.128 0.000 2.794 170 F HA 0.545 5.075 4.527 0.005 0.000 0.353 170 F C -2.580 173.122 175.800 -0.163 0.000 1.371 170 F CA -2.721 55.184 58.000 -0.158 0.000 1.173 170 F CB 1.569 40.463 39.000 -0.178 0.000 1.693 170 F HN 0.488 nan 8.300 nan 0.000 0.606 171 P HA 0.308 nan 4.420 nan 0.000 0.282 171 P C -0.487 176.590 177.300 -0.372 0.000 1.262 171 P CA 0.135 63.055 63.100 -0.300 0.000 0.773 171 P CB 1.525 33.067 31.700 -0.264 0.000 0.879 172 I N 2.636 123.013 120.570 -0.321 0.000 2.362 172 I HA 0.388 4.561 4.170 0.005 0.000 0.289 172 I C 0.786 176.858 176.117 -0.075 0.000 0.994 172 I CA -0.288 60.833 61.300 -0.298 0.000 1.158 172 I CB 1.961 39.738 38.000 -0.371 0.000 1.315 172 I HN 0.274 nan 8.210 nan 0.000 0.451 173 T N 3.328 117.860 114.554 -0.036 0.000 2.901 173 T HA 0.390 4.743 4.350 0.005 0.000 0.293 173 T C -1.253 173.578 174.700 0.217 0.000 1.084 173 T CA -0.728 61.435 62.100 0.105 0.000 1.008 173 T CB 1.454 70.329 68.868 0.010 0.000 1.170 173 T HN 0.666 nan 8.240 nan 0.000 0.509 174 D N 1.085 121.625 120.400 0.234 0.000 2.329 174 D HA 0.313 4.955 4.640 0.005 0.000 0.246 174 D C -1.159 175.225 176.300 0.140 0.000 1.111 174 D CA -0.212 53.891 54.000 0.172 0.000 0.941 174 D CB 0.453 41.324 40.800 0.117 0.000 1.169 174 D HN 0.451 nan 8.370 nan 0.000 0.441 175 Y N 0.678 120.833 120.300 -0.242 0.000 2.331 175 Y HA 0.374 4.928 4.550 0.006 0.000 0.326 175 Y C -1.862 173.776 175.900 -0.437 0.000 1.020 175 Y CA -1.119 56.876 58.100 -0.174 0.000 1.136 175 Y CB 1.000 39.417 38.460 -0.072 0.000 1.157 175 Y HN 0.312 nan 8.280 nan 0.000 0.444 176 Y N 5.082 125.171 120.300 -0.352 0.000 2.377 176 Y HA 0.283 4.836 4.550 0.005 0.000 0.339 176 Y C -0.049 175.580 175.900 -0.451 0.000 1.011 176 Y CA -0.834 57.038 58.100 -0.380 0.000 1.093 176 Y CB 0.901 39.276 38.460 -0.143 0.000 1.201 176 Y HN 0.582 nan 8.280 nan 0.000 0.455 177 Y N -0.018 120.193 120.300 -0.147 0.000 2.457 177 Y HA 0.092 4.644 4.550 0.004 0.000 0.292 177 Y C 0.938 176.798 175.900 -0.066 0.000 1.125 177 Y CA -0.013 58.000 58.100 -0.146 0.000 1.254 177 Y CB -0.185 38.233 38.460 -0.069 0.000 1.012 177 Y HN 0.306 nan 8.280 nan 0.000 0.555 178 R N 0.265 120.821 120.500 0.093 0.000 2.459 178 R HA 0.542 4.885 4.340 0.005 0.000 0.281 178 R C 0.285 176.593 176.300 0.014 0.000 1.050 178 R CA -0.315 55.801 56.100 0.025 0.000 1.055 178 R CB 0.785 31.053 30.300 -0.054 0.000 1.045 178 R HN 0.092 nan 8.270 nan 0.000 0.495 179 A N 1.640 124.465 122.820 0.008 0.000 2.406 179 A HA 0.322 4.645 4.320 0.005 0.000 0.243 179 A C 1.220 178.809 177.584 0.009 0.000 1.082 179 A CA 0.395 52.441 52.037 0.016 0.000 0.786 179 A CB 0.328 19.340 19.000 0.019 0.000 1.029 179 A HN 0.928 nan 8.150 nan 0.000 0.495 180 A N 0.347 123.194 122.820 0.044 0.000 1.908 180 A HA -0.160 4.162 4.320 0.005 0.000 0.218 180 A C 1.589 179.235 177.584 0.103 0.000 1.181 180 A CA 2.018 54.111 52.037 0.093 0.000 0.627 180 A CB -0.612 18.445 19.000 0.095 0.000 0.818 180 A HN 0.839 nan 8.150 nan 0.000 0.445 181 D N 0.000 120.449 120.400 0.082 0.000 2.178 181 D HA -0.122 4.521 4.640 0.005 0.000 0.201 181 D C 0.990 177.328 176.300 0.064 0.000 0.980 181 D CA 1.320 55.369 54.000 0.082 0.000 0.842 181 D CB -0.294 40.533 40.800 0.044 0.000 0.948 181 D HN 0.415 nan 8.370 nan 0.000 0.472 182 D N 0.363 120.775 120.400 0.021 0.000 2.224 182 D HA -0.023 4.619 4.640 0.005 0.000 0.205 182 D C 2.290 178.601 176.300 0.018 0.000 0.965 182 D CA 0.255 54.267 54.000 0.021 0.000 0.852 182 D CB 0.080 40.866 40.800 -0.024 0.000 0.947 182 D HN 0.258 nan 8.370 nan 0.000 0.494 183 L N 0.186 121.351 121.223 -0.096 0.000 2.270 183 L HA -0.036 4.306 4.340 0.005 0.000 0.210 183 L C 2.363 179.052 176.870 -0.302 0.000 1.104 183 L CA 0.186 54.828 54.840 -0.330 0.000 0.804 183 L CB 0.095 41.742 42.059 -0.686 0.000 0.937 183 L HN -0.114 nan 8.230 nan 0.000 0.450 184 V N -0.769 119.132 119.914 -0.021 0.000 2.379 184 V HA -0.284 3.839 4.120 0.005 0.000 0.245 184 V C 2.475 178.639 176.094 0.117 0.000 1.044 184 V CA 1.710 64.086 62.300 0.126 0.000 1.036 184 V CB -0.728 31.222 31.823 0.213 0.000 0.664 184 V HN 0.532 nan 8.190 nan 0.000 0.453 185 H N -0.936 118.166 119.070 0.053 0.000 2.389 185 H HA -0.187 4.373 4.556 0.007 0.000 0.299 185 H C 2.233 177.609 175.328 0.080 0.000 1.081 185 H CA 2.056 58.143 56.048 0.064 0.000 1.345 185 H CB -0.019 29.777 29.762 0.056 0.000 1.393 185 H HN 0.423 nan 8.280 nan 0.000 0.520 186 F N 1.999 121.901 119.950 -0.081 0.000 2.084 186 F HA -0.175 4.354 4.527 0.002 0.000 0.296 186 F C 2.747 178.463 175.800 -0.140 0.000 1.111 186 F CA 2.239 60.161 58.000 -0.130 0.000 1.224 186 F CB -0.739 38.171 39.000 -0.149 0.000 0.991 186 F HN 0.201 nan 8.300 nan 0.000 0.471 187 T N -2.023 112.461 114.554 -0.117 0.000 3.051 187 T HA -0.143 4.210 4.350 0.005 0.000 0.269 187 T C 1.686 176.430 174.700 0.073 0.000 1.127 187 T CA 1.123 63.145 62.100 -0.130 0.000 1.107 187 T CB -0.486 68.266 68.868 -0.193 0.000 0.898 187 T HN 0.469 nan 8.240 nan 0.000 0.517 188 Q N 0.749 120.567 119.800 0.030 0.000 2.230 188 Q HA 0.056 4.399 4.340 0.005 0.000 0.202 188 Q C 1.607 177.635 176.000 0.046 0.000 0.963 188 Q CA 0.924 56.773 55.803 0.076 0.000 0.866 188 Q CB 0.067 28.790 28.738 -0.025 0.000 0.931 188 Q HN 0.606 nan 8.270 nan 0.000 0.452 189 N N -0.615 118.044 118.700 -0.068 0.000 2.166 189 N HA 0.132 4.874 4.740 0.005 0.000 0.213 189 N C -0.377 175.086 175.510 -0.078 0.000 1.222 189 N CA 0.088 53.042 53.050 -0.160 0.000 0.900 189 N CB 0.854 39.198 38.487 -0.239 0.000 1.055 189 N HN 0.139 nan 8.380 nan 0.000 0.515 190 N N 0.248 118.884 118.700 -0.107 0.000 2.380 190 N HA 0.442 5.184 4.740 0.005 0.000 0.290 190 N C -0.941 174.464 175.510 -0.175 0.000 1.236 190 N CA -0.428 52.465 53.050 -0.263 0.000 0.780 190 N CB 2.483 40.282 38.487 -1.146 0.000 1.438 190 N HN -0.093 nan 8.380 nan 0.000 0.491 191 A N 1.625 124.349 122.820 -0.161 0.000 2.388 191 A HA 0.350 4.673 4.320 0.005 0.000 0.257 191 A C -2.065 175.491 177.584 -0.047 0.000 1.095 191 A CA -0.980 50.965 52.037 -0.153 0.000 0.791 191 A CB -0.395 18.577 19.000 -0.046 0.000 1.029 191 A HN 0.394 nan 8.150 nan 0.000 0.489 192 P HA 0.116 nan 4.420 nan 0.000 0.264 192 P C -2.414 175.002 177.300 0.194 0.000 1.183 192 P CA -0.352 62.783 63.100 0.058 0.000 0.763 192 P CB -0.166 31.651 31.700 0.195 0.000 0.807 193 P HA 0.282 nan 4.420 nan 0.000 0.278 193 P C -0.393 177.165 177.300 0.430 0.000 1.266 193 P CA -0.432 62.825 63.100 0.261 0.000 0.807 193 P CB 0.585 32.369 31.700 0.141 0.000 1.094 194 F N 0.286 120.281 119.950 0.076 0.000 2.410 194 F HA 0.135 4.665 4.527 0.004 0.000 0.334 194 F C 1.550 177.338 175.800 -0.020 0.000 1.134 194 F CA -0.742 57.256 58.000 -0.003 0.000 1.227 194 F CB 0.266 39.212 39.000 -0.089 0.000 1.194 194 F HN 0.258 nan 8.300 nan 0.000 0.571 195 S N 1.315 116.984 115.700 -0.052 0.000 2.579 195 S HA 0.081 4.554 4.470 0.005 0.000 0.275 195 S C 0.642 175.046 174.600 -0.326 0.000 1.345 195 S CA -0.699 57.200 58.200 -0.502 0.000 1.031 195 S CB 0.798 63.677 63.200 -0.535 0.000 0.892 195 S HN 0.566 nan 8.310 nan 0.000 0.529 196 D N 0.877 120.977 120.400 -0.500 0.000 2.234 196 D HA 0.080 4.723 4.640 0.005 0.000 0.205 196 D C 0.472 176.621 176.300 -0.251 0.000 0.962 196 D CA 0.986 54.710 54.000 -0.460 0.000 0.855 196 D CB -0.129 40.007 40.800 -1.107 0.000 0.951 196 D HN 0.520 nan 8.370 nan 0.000 0.500 197 N N -1.268 117.329 118.700 -0.172 0.000 3.261 197 N HA 0.156 4.899 4.740 0.005 0.000 0.248 197 N C -2.012 173.499 175.510 0.002 0.000 1.498 197 N CA -0.453 52.584 53.050 -0.022 0.000 0.884 197 N CB 1.833 40.361 38.487 0.069 0.000 1.428 197 N HN -0.346 nan 8.380 nan 0.000 0.517 198 V N 1.941 121.850 119.914 -0.008 0.000 2.482 198 V HA 0.469 4.591 4.120 0.005 0.000 0.295 198 V C -0.323 175.695 176.094 -0.126 0.000 1.026 198 V CA -0.649 61.631 62.300 -0.035 0.000 0.856 198 V CB 1.449 33.210 31.823 -0.104 0.000 1.001 198 V HN 0.437 nan 8.190 nan 0.000 0.424 199 L N 5.932 127.071 121.223 -0.139 0.000 2.290 199 L HA 0.555 4.898 4.340 0.005 0.000 0.284 199 L C -0.408 176.311 176.870 -0.251 0.000 1.078 199 L CA -0.184 54.533 54.840 -0.205 0.000 0.815 199 L CB 0.993 42.916 42.059 -0.228 0.000 1.162 199 L HN 0.476 nan 8.230 nan 0.000 0.435 200 I N 4.160 124.565 120.570 -0.274 0.000 2.328 200 I HA 0.189 4.362 4.170 0.005 0.000 0.287 200 I C 0.262 176.112 176.117 -0.445 0.000 1.012 200 I CA -0.429 60.610 61.300 -0.436 0.000 1.195 200 I CB 1.033 38.803 38.000 -0.384 0.000 1.350 200 I HN 0.713 nan 8.210 nan 0.000 0.464 201 N N 5.246 123.642 118.700 -0.508 0.000 2.738 201 N HA -0.201 4.542 4.740 0.005 0.000 0.249 201 N C 0.793 176.197 175.510 -0.176 0.000 1.047 201 N CA 1.280 54.136 53.050 -0.322 0.000 0.707 201 N CB -0.740 37.595 38.487 -0.253 0.000 0.937 201 N HN 1.105 nan 8.380 nan 0.000 0.545 202 G N -2.585 106.112 108.800 -0.171 0.000 2.284 202 G HA2 -0.298 3.665 3.960 0.005 0.000 0.247 202 G HA3 -0.298 3.665 3.960 0.005 0.000 0.247 202 G C 0.241 175.057 174.900 -0.140 0.000 1.012 202 G CA 1.276 46.306 45.100 -0.117 0.000 0.618 202 G HN 1.533 nan 8.290 nan 0.000 0.521 203 T N -2.161 112.302 114.554 -0.151 0.000 2.930 203 T HA 1.008 5.361 4.350 0.005 0.000 0.290 203 T C -0.300 174.301 174.700 -0.163 0.000 1.052 203 T CA 0.339 62.346 62.100 -0.154 0.000 1.017 203 T CB 2.463 71.269 68.868 -0.104 0.000 1.137 203 T HN 2.087 nan 8.240 nan 0.000 0.511 204 A N 0.661 123.374 122.820 -0.179 0.000 2.601 204 A HA 0.683 5.006 4.320 0.005 0.000 0.291 204 A C -1.304 176.144 177.584 -0.227 0.000 1.075 204 A CA -0.820 51.109 52.037 -0.180 0.000 0.671 204 A CB 1.180 20.084 19.000 -0.160 0.000 1.277 204 A HN 0.950 nan 8.150 nan 0.000 0.417 205 V N 1.982 121.716 119.914 -0.301 0.000 2.532 205 V HA 0.341 4.464 4.120 0.005 0.000 0.295 205 V C 0.394 176.399 176.094 -0.148 0.000 1.041 205 V CA -0.913 61.193 62.300 -0.323 0.000 0.926 205 V CB 1.741 33.187 31.823 -0.629 0.000 0.992 205 V HN 0.830 nan 8.190 nan 0.000 0.457 206 N N 6.315 124.964 118.700 -0.085 0.000 2.442 206 N HA 0.144 4.887 4.740 0.005 0.000 0.265 206 N C -1.482 174.028 175.510 0.001 0.000 1.138 206 N CA -1.275 51.774 53.050 -0.001 0.000 0.956 206 N CB 1.857 40.351 38.487 0.011 0.000 1.067 206 N HN 0.406 nan 8.380 nan 0.000 0.474 207 P HA -0.060 nan 4.420 nan 0.000 0.230 207 P C 0.132 177.457 177.300 0.040 0.000 1.158 207 P CA 0.974 64.094 63.100 0.034 0.000 0.769 207 P CB 0.634 32.358 31.700 0.039 0.000 0.807 208 N N -0.493 118.232 118.700 0.042 0.000 2.591 208 N HA -0.022 4.721 4.740 0.005 0.000 0.200 208 N C 1.803 177.328 175.510 0.024 0.000 1.040 208 N CA 1.669 54.742 53.050 0.037 0.000 0.911 208 N CB -0.582 37.932 38.487 0.045 0.000 1.259 208 N HN 0.214 nan 8.380 nan 0.000 0.438 209 T N -2.244 112.320 114.554 0.016 0.000 3.067 209 T HA 0.243 4.595 4.350 0.005 0.000 0.257 209 T C 1.435 176.134 174.700 -0.002 0.000 1.105 209 T CA 0.890 62.991 62.100 0.003 0.000 1.104 209 T CB 0.188 69.049 68.868 -0.010 0.000 0.925 209 T HN 0.327 nan 8.240 nan 0.000 0.498 210 G N 1.140 109.937 108.800 -0.004 0.000 2.148 210 G HA2 -0.239 3.724 3.960 0.005 0.000 0.254 210 G HA3 -0.239 3.724 3.960 0.005 0.000 0.254 210 G C -0.192 174.687 174.900 -0.035 0.000 0.981 210 G CA 0.304 45.399 45.100 -0.010 0.000 0.670 210 G HN 0.672 nan 8.290 nan 0.000 0.528 211 E N -0.312 119.860 120.200 -0.047 0.000 2.314 211 E HA 0.553 4.906 4.350 0.005 0.000 0.262 211 E C 0.884 177.425 176.600 -0.098 0.000 1.093 211 E CA 0.148 56.510 56.400 -0.063 0.000 0.908 211 E CB 1.101 30.766 29.700 -0.057 0.000 1.091 211 E HN 1.469 nan 8.360 nan 0.000 0.425 212 G N 0.709 109.446 108.800 -0.105 0.000 2.710 212 G HA2 -0.158 3.804 3.960 0.005 0.000 0.668 212 G HA3 -0.158 3.804 3.960 0.005 0.000 0.668 212 G C -1.064 173.744 174.900 -0.153 0.000 1.320 212 G CA -0.851 44.169 45.100 -0.135 0.000 0.860 212 G HN 0.318 nan 8.290 nan 0.000 0.538 213 Q N -1.108 118.599 119.800 -0.155 0.000 2.413 213 Q HA 0.585 4.928 4.340 0.005 0.000 0.276 213 Q C -1.088 174.840 176.000 -0.121 0.000 1.099 213 Q CA -0.715 55.019 55.803 -0.115 0.000 0.814 213 Q CB 2.035 30.749 28.738 -0.040 0.000 1.379 213 Q HN 0.538 nan 8.270 nan 0.000 0.436 214 Y N 0.128 120.451 120.300 0.038 0.000 2.299 214 Y HA 0.391 4.944 4.550 0.005 0.000 0.326 214 Y C 0.615 176.543 175.900 0.047 0.000 1.164 214 Y CA -0.442 57.705 58.100 0.077 0.000 1.234 214 Y CB 1.107 39.666 38.460 0.166 0.000 1.219 214 Y HN 0.622 nan 8.280 nan 0.000 0.497 215 A N 3.300 126.251 122.820 0.219 0.000 2.524 215 A HA 0.153 4.475 4.320 0.005 0.000 0.250 215 A C -0.072 177.596 177.584 0.141 0.000 1.078 215 A CA -0.215 51.897 52.037 0.125 0.000 0.761 215 A CB -0.295 18.750 19.000 0.075 0.000 1.012 215 A HN 0.710 nan 8.150 nan 0.000 0.500 216 N N 2.287 121.014 118.700 0.046 0.000 2.479 216 N HA 0.450 5.193 4.740 0.005 0.000 0.261 216 N C -1.383 174.028 175.510 -0.165 0.000 0.979 216 N CA -0.306 52.725 53.050 -0.032 0.000 0.930 216 N CB 1.475 39.947 38.487 -0.024 0.000 1.172 216 N HN 0.254 nan 8.380 nan 0.000 0.499 217 V N 2.716 122.403 119.914 -0.378 0.000 2.370 217 V HA 0.411 4.534 4.120 0.005 0.000 0.283 217 V C 0.266 176.068 176.094 -0.487 0.000 1.023 217 V CA -0.631 61.282 62.300 -0.645 0.000 0.857 217 V CB 1.350 32.271 31.823 -1.504 0.000 0.985 217 V HN 0.570 nan 8.190 nan 0.000 0.443 218 T N 7.070 121.441 114.554 -0.305 0.000 2.733 218 T HA 0.543 4.896 4.350 0.005 0.000 0.294 218 T C -0.115 174.424 174.700 -0.268 0.000 0.956 218 T CA -0.144 61.852 62.100 -0.173 0.000 0.987 218 T CB 0.273 69.126 68.868 -0.026 0.000 0.920 218 T HN 0.345 nan 8.240 nan 0.000 0.470 219 L N 3.256 124.260 121.223 -0.364 0.000 2.325 219 L HA 0.416 4.759 4.340 0.005 0.000 0.279 219 L C 0.670 177.398 176.870 -0.237 0.000 1.054 219 L CA -0.783 53.743 54.840 -0.524 0.000 0.804 219 L CB 1.102 42.666 42.059 -0.826 0.000 1.200 219 L HN 0.533 nan 8.230 nan 0.000 0.436 220 T N 3.114 117.747 114.554 0.131 0.000 2.771 220 T HA 0.273 4.626 4.350 0.005 0.000 0.291 220 T C -2.393 172.336 174.700 0.050 0.000 0.954 220 T CA -1.299 60.846 62.100 0.076 0.000 1.045 220 T CB 1.106 70.021 68.868 0.079 0.000 0.917 220 T HN 0.295 nan 8.240 nan 0.000 0.484 221 P HA 0.136 nan 4.420 nan 0.000 0.262 221 P C 1.137 178.499 177.300 0.102 0.000 1.182 221 P CA 0.988 64.160 63.100 0.120 0.000 0.761 221 P CB 0.205 32.010 31.700 0.175 0.000 0.795 222 G N 1.727 110.606 108.800 0.131 0.000 2.189 222 G HA2 -0.249 3.714 3.960 0.005 0.000 0.267 222 G HA3 -0.249 3.714 3.960 0.005 0.000 0.267 222 G C 0.207 175.134 174.900 0.045 0.000 0.975 222 G CA 0.080 45.233 45.100 0.088 0.000 0.644 222 G HN 0.487 nan 8.290 nan 0.000 0.537 223 K N 0.362 120.773 120.400 0.019 0.000 2.098 223 K HA 0.492 4.814 4.320 0.005 0.000 0.258 223 K C 0.574 177.090 176.600 -0.140 0.000 0.973 223 K CA -0.683 55.539 56.287 -0.108 0.000 0.898 223 K CB 1.037 33.390 32.500 -0.245 0.000 1.057 223 K HN 0.325 nan 8.250 nan 0.000 0.447 224 R N 2.026 122.440 120.500 -0.143 0.000 2.254 224 R HA 0.250 4.592 4.340 0.005 0.000 0.318 224 R C -0.532 175.686 176.300 -0.136 0.000 1.031 224 R CA -0.552 55.532 56.100 -0.026 0.000 0.905 224 R CB 0.434 30.768 30.300 0.057 0.000 1.050 224 R HN 0.511 nan 8.270 nan 0.000 0.456 225 H N 0.978 120.051 119.070 0.005 0.000 2.466 225 H HA 0.290 4.849 4.556 0.005 0.000 0.338 225 H C -0.391 174.862 175.328 -0.124 0.000 1.091 225 H CA -0.807 55.215 56.048 -0.044 0.000 1.207 225 H CB 1.478 31.193 29.762 -0.077 0.000 1.466 225 H HN 0.245 nan 8.280 nan 0.000 0.493 226 R N 2.930 123.348 120.500 -0.136 0.000 2.221 226 R HA 0.399 4.741 4.340 0.005 0.000 0.327 226 R C -1.384 174.809 176.300 -0.179 0.000 1.033 226 R CA -0.907 54.999 56.100 -0.323 0.000 0.887 226 R CB 0.417 30.240 30.300 -0.794 0.000 1.057 226 R HN 0.499 nan 8.270 nan 0.000 0.455 227 L N 4.985 126.126 121.223 -0.137 0.000 2.349 227 L HA 0.442 4.785 4.340 0.005 0.000 0.278 227 L C -0.806 176.026 176.870 -0.063 0.000 0.996 227 L CA -0.397 54.369 54.840 -0.123 0.000 0.825 227 L CB 1.540 43.514 42.059 -0.142 0.000 1.243 227 L HN 0.599 nan 8.230 nan 0.000 0.412 228 R N 6.557 127.033 120.500 -0.041 0.000 2.391 228 R HA 0.456 4.799 4.340 0.005 0.000 0.310 228 R C -0.759 175.571 176.300 0.050 0.000 1.174 228 R CA -0.279 55.817 56.100 -0.006 0.000 1.118 228 R CB -0.008 30.277 30.300 -0.026 0.000 1.134 228 R HN 0.572 nan 8.270 nan 0.000 0.524 229 I N 4.380 125.003 120.570 0.089 0.000 2.416 229 I HA 0.143 4.315 4.170 0.005 0.000 0.288 229 I C -0.275 175.833 176.117 -0.015 0.000 1.051 229 I CA -0.372 61.003 61.300 0.126 0.000 1.375 229 I CB 0.519 38.650 38.000 0.218 0.000 1.407 229 I HN 0.238 nan 8.210 nan 0.000 0.516 230 L N 6.095 127.248 121.223 -0.117 0.000 2.354 230 L HA 0.492 4.835 4.340 0.005 0.000 0.264 230 L C -0.225 176.434 176.870 -0.351 0.000 1.008 230 L CA -0.571 54.088 54.840 -0.302 0.000 0.819 230 L CB 1.347 43.150 42.059 -0.426 0.000 1.339 230 L HN 0.423 nan 8.230 nan 0.000 0.420 231 N N 0.028 118.426 118.700 -0.503 0.000 2.564 231 N HA 0.263 5.006 4.740 0.005 0.000 0.248 231 N C -0.095 174.919 175.510 -0.827 0.000 0.986 231 N CA -0.261 52.518 53.050 -0.452 0.000 0.921 231 N CB 1.133 39.386 38.487 -0.391 0.000 1.136 231 N HN 0.728 nan 8.380 nan 0.000 0.509 232 T N -0.767 113.320 114.554 -0.777 0.000 3.264 232 T HA 0.292 4.645 4.350 0.005 0.000 0.257 232 T C 0.484 174.946 174.700 -0.396 0.000 0.976 232 T CA -0.414 61.037 62.100 -1.080 0.000 0.908 232 T CB -0.308 68.049 68.868 -0.851 0.000 1.082 232 T HN 0.130 nan 8.240 nan 0.000 0.567 233 S N 1.730 117.257 115.700 -0.289 0.000 2.634 233 S HA 0.342 4.814 4.470 0.005 0.000 0.261 233 S C 1.676 176.282 174.600 0.011 0.000 1.271 233 S CA -0.095 58.047 58.200 -0.097 0.000 0.985 233 S CB 0.988 64.052 63.200 -0.225 0.000 0.968 233 S HN 0.722 nan 8.310 nan 0.000 0.568 234 T N -2.135 112.363 114.554 -0.094 0.000 2.990 234 T HA 0.281 4.634 4.350 0.005 0.000 0.249 234 T C 0.946 175.354 174.700 -0.486 0.000 1.039 234 T CA -0.015 61.852 62.100 -0.389 0.000 1.036 234 T CB 0.188 68.641 68.868 -0.692 0.000 0.994 234 T HN 0.554 nan 8.240 nan 0.000 0.489 235 E N 1.136 121.212 120.200 -0.206 0.000 2.926 235 E HA 0.105 4.458 4.350 0.005 0.000 0.232 235 E C -0.433 176.200 176.600 0.056 0.000 1.095 235 E CA -0.122 56.218 56.400 -0.100 0.000 1.755 235 E CB -0.095 29.665 29.700 0.099 0.000 2.411 235 E HN 0.408 nan 8.360 nan 0.000 1.046 236 N N 1.596 120.290 118.700 -0.010 0.000 2.359 236 N HA -0.037 4.705 4.740 0.005 0.000 0.261 236 N C -0.824 174.386 175.510 -0.500 0.000 1.267 236 N CA 0.494 53.455 53.050 -0.148 0.000 0.864 236 N CB 0.143 38.490 38.487 -0.234 0.000 1.063 236 N HN 0.150 nan 8.380 nan 0.000 0.474 237 H N 2.098 120.902 119.070 -0.444 0.000 2.476 237 H HA 0.355 4.914 4.556 0.004 0.000 0.328 237 H C -0.584 174.387 175.328 -0.594 0.000 1.073 237 H CA -0.288 55.447 56.048 -0.521 0.000 1.229 237 H CB 0.444 30.180 29.762 -0.044 0.000 1.432 237 H HN 0.320 nan 8.280 nan 0.000 0.477 238 F N 0.765 120.427 119.950 -0.481 0.000 2.497 238 F HA 0.482 5.012 4.527 0.004 0.000 0.331 238 F C 0.261 175.719 175.800 -0.571 0.000 1.060 238 F CA -0.880 56.778 58.000 -0.571 0.000 0.989 238 F CB 1.147 39.850 39.000 -0.496 0.000 1.245 238 F HN 0.351 nan 8.300 nan 0.000 0.486 239 Q N 1.227 120.912 119.800 -0.192 0.000 2.304 239 Q HA 0.638 4.981 4.340 0.005 0.000 0.270 239 Q C -1.392 174.448 176.000 -0.268 0.000 1.035 239 Q CA -0.952 54.736 55.803 -0.191 0.000 0.781 239 Q CB 2.963 31.680 28.738 -0.036 0.000 1.261 239 Q HN 0.552 nan 8.270 nan 0.000 0.444 240 V N -0.781 118.955 119.914 -0.297 0.000 2.769 240 V HA 0.977 5.100 4.120 0.005 0.000 0.312 240 V C -0.491 175.354 176.094 -0.415 0.000 1.061 240 V CA -0.606 61.432 62.300 -0.437 0.000 0.931 240 V CB 1.813 33.390 31.823 -0.409 0.000 1.010 240 V HN 0.842 nan 8.190 nan 0.000 0.433 241 S N 3.321 118.673 115.700 -0.581 0.000 2.547 241 S HA 0.779 5.251 4.470 0.005 0.000 0.270 241 S C -1.474 172.857 174.600 -0.450 0.000 1.150 241 S CA -0.738 57.228 58.200 -0.390 0.000 0.850 241 S CB 1.714 64.790 63.200 -0.207 0.000 1.118 241 S HN 1.543 nan 8.310 nan 0.000 0.461 242 L N 2.239 123.298 121.223 -0.273 0.000 2.343 242 L HA 0.612 4.955 4.340 0.005 0.000 0.278 242 L C -0.797 176.041 176.870 -0.052 0.000 0.996 242 L CA -0.642 54.066 54.840 -0.221 0.000 0.831 242 L CB 1.619 43.448 42.059 -0.383 0.000 1.232 242 L HN 0.731 nan 8.230 nan 0.000 0.413 243 V N 6.843 126.796 119.914 0.065 0.000 2.583 243 V HA -0.006 4.117 4.120 0.005 0.000 0.302 243 V C 0.830 177.045 176.094 0.200 0.000 1.033 243 V CA 0.551 62.954 62.300 0.171 0.000 1.194 243 V CB -0.461 31.539 31.823 0.296 0.000 0.879 243 V HN 1.021 nan 8.190 nan 0.000 0.482 244 N N 1.976 120.730 118.700 0.091 0.000 2.828 244 N HA -0.187 4.556 4.740 0.005 0.000 0.248 244 N C -0.165 175.210 175.510 -0.224 0.000 1.044 244 N CA 1.334 54.357 53.050 -0.045 0.000 0.851 244 N CB -1.167 37.302 38.487 -0.029 0.000 1.136 244 N HN 0.940 nan 8.380 nan 0.000 0.572 245 H N -1.262 117.704 119.070 -0.173 0.000 2.747 245 H HA 0.601 5.160 4.556 0.005 0.000 0.371 245 H C 0.319 175.575 175.328 -0.120 0.000 1.161 245 H CA -0.067 55.882 56.048 -0.166 0.000 1.167 245 H CB 1.437 31.070 29.762 -0.216 0.000 1.732 245 H HN 0.098 nan 8.280 nan 0.000 0.544 246 T N -0.401 114.175 114.554 0.037 0.000 2.952 246 T HA 0.693 5.046 4.350 0.005 0.000 0.286 246 T C -0.110 174.587 174.700 -0.005 0.000 1.024 246 T CA -1.045 61.053 62.100 -0.004 0.000 1.029 246 T CB 1.149 70.008 68.868 -0.014 0.000 1.094 246 T HN 0.388 nan 8.240 nan 0.000 0.515 247 M N 1.683 121.265 119.600 -0.030 0.000 2.321 247 M HA 0.366 4.849 4.480 0.005 0.000 0.315 247 M C -0.824 175.455 176.300 -0.034 0.000 1.052 247 M CA -0.634 54.644 55.300 -0.036 0.000 0.936 247 M CB 2.610 35.173 32.600 -0.063 0.000 1.639 247 M HN 0.651 nan 8.290 nan 0.000 0.433 248 T N 2.738 117.282 114.554 -0.016 0.000 2.781 248 T HA 0.353 4.706 4.350 0.005 0.000 0.305 248 T C 0.015 174.710 174.700 -0.008 0.000 1.001 248 T CA -0.544 61.552 62.100 -0.007 0.000 0.950 248 T CB 0.428 69.305 68.868 0.015 0.000 0.955 248 T HN 0.384 nan 8.240 nan 0.000 0.471 249 V N 5.915 125.817 119.914 -0.019 0.000 2.485 249 V HA 0.109 4.231 4.120 0.005 0.000 0.287 249 V C 1.364 177.483 176.094 0.042 0.000 1.022 249 V CA 0.239 62.541 62.300 0.004 0.000 1.067 249 V CB -0.280 31.530 31.823 -0.022 0.000 0.967 249 V HN 0.913 nan 8.190 nan 0.000 0.479 250 I N 2.021 122.620 120.570 0.048 0.000 4.154 250 I HA 0.799 4.972 4.170 0.005 0.000 0.334 250 I C 0.494 176.636 176.117 0.040 0.000 1.371 250 I CA -0.001 61.328 61.300 0.049 0.000 1.110 250 I CB 0.475 38.503 38.000 0.046 0.000 1.085 250 I HN 0.532 nan 8.210 nan 0.000 0.398 251 A N 1.368 124.225 122.820 0.062 0.000 2.573 251 A HA 0.807 5.130 4.320 0.005 0.000 0.299 251 A C -1.266 176.356 177.584 0.062 0.000 1.060 251 A CA -0.103 51.945 52.037 0.018 0.000 0.736 251 A CB 0.786 19.746 19.000 -0.066 0.000 1.280 251 A HN 0.412 nan 8.150 nan 0.000 0.401 252 A N 2.707 125.512 122.820 -0.025 0.000 2.285 252 A HA 0.724 5.047 4.320 0.005 0.000 0.310 252 A C 0.344 177.788 177.584 -0.234 0.000 1.266 252 A CA 0.363 52.295 52.037 -0.176 0.000 0.832 252 A CB -0.029 18.947 19.000 -0.040 0.000 1.163 252 A HN 1.246 nan 8.150 nan 0.000 0.499 253 D N 0.710 120.914 120.400 -0.326 0.000 3.685 253 D HA -0.263 4.380 4.640 0.005 0.000 0.152 253 D C 0.634 176.814 176.300 -0.199 0.000 0.966 253 D CA 2.041 55.904 54.000 -0.227 0.000 1.085 253 D CB -0.610 40.090 40.800 -0.165 0.000 0.521 253 D HN 0.628 nan 8.370 nan 0.000 0.543 254 M N 0.752 120.232 119.600 -0.200 0.000 2.655 254 M HA 0.291 4.773 4.480 0.005 0.000 0.311 254 M C -0.883 175.175 176.300 -0.403 0.000 1.229 254 M CA 0.077 55.199 55.300 -0.297 0.000 0.972 254 M CB 0.528 32.944 32.600 -0.307 0.000 1.366 254 M HN 0.052 nan 8.290 nan 0.000 0.500 255 V N 1.383 121.126 119.914 -0.285 0.000 2.407 255 V HA 0.417 4.540 4.120 0.005 0.000 0.291 255 V C -2.431 173.544 176.094 -0.199 0.000 1.018 255 V CA -1.719 60.438 62.300 -0.237 0.000 0.842 255 V CB 1.428 33.225 31.823 -0.044 0.000 0.996 255 V HN 0.194 nan 8.190 nan 0.000 0.426 256 P HA 0.218 nan 4.420 nan 0.000 0.271 256 P C -0.566 176.732 177.300 -0.003 0.000 1.226 256 P CA 0.182 63.208 63.100 -0.124 0.000 0.765 256 P CB 0.858 32.482 31.700 -0.127 0.000 0.835 257 V N 1.050 120.980 119.914 0.026 0.000 2.919 257 V HA 0.564 4.687 4.120 0.005 0.000 0.316 257 V C -0.155 175.977 176.094 0.063 0.000 1.077 257 V CA -1.146 61.187 62.300 0.056 0.000 0.977 257 V CB 1.932 33.797 31.823 0.071 0.000 1.039 257 V HN 0.246 nan 8.190 nan 0.000 0.441 258 N N 1.992 120.731 118.700 0.064 0.000 2.492 258 N HA 0.311 5.054 4.740 0.005 0.000 0.262 258 N C 0.483 176.026 175.510 0.055 0.000 1.202 258 N CA 0.611 53.697 53.050 0.060 0.000 0.926 258 N CB 1.200 39.720 38.487 0.054 0.000 1.078 258 N HN 1.261 nan 8.380 nan 0.000 0.454 259 A N 2.551 125.403 122.820 0.053 0.000 2.600 259 A HA -0.046 4.277 4.320 0.005 0.000 0.244 259 A C 0.466 178.071 177.584 0.034 0.000 1.016 259 A CA 0.647 52.711 52.037 0.045 0.000 0.778 259 A CB -0.421 18.607 19.000 0.046 0.000 0.920 259 A HN 0.777 nan 8.150 nan 0.000 0.513 260 M N 3.960 123.575 119.600 0.025 0.000 2.090 260 M HA 0.263 4.746 4.480 0.005 0.000 0.277 260 M C -0.700 175.597 176.300 -0.006 0.000 0.935 260 M CA -0.064 55.243 55.300 0.012 0.000 0.966 260 M CB 1.433 34.043 32.600 0.016 0.000 1.635 260 M HN 0.595 nan 8.290 nan 0.000 0.446 261 T N 4.736 119.287 114.554 -0.004 0.000 2.761 261 T HA 0.530 4.883 4.350 0.005 0.000 0.296 261 T C -0.228 174.459 174.700 -0.021 0.000 0.934 261 T CA -0.447 61.646 62.100 -0.012 0.000 1.091 261 T CB 0.348 69.214 68.868 -0.004 0.000 0.896 261 T HN 0.566 nan 8.240 nan 0.000 0.515 262 V N 0.721 120.614 119.914 -0.034 0.000 3.102 262 V HA 0.586 4.709 4.120 0.005 0.000 0.312 262 V C 0.064 176.138 176.094 -0.034 0.000 1.135 262 V CA -0.882 61.398 62.300 -0.033 0.000 1.022 262 V CB 2.370 34.164 31.823 -0.048 0.000 1.056 262 V HN 0.602 nan 8.190 nan 0.000 0.436 263 D N 0.865 121.252 120.400 -0.022 0.000 2.277 263 D HA 0.143 4.786 4.640 0.005 0.000 0.209 263 D C 0.817 177.097 176.300 -0.033 0.000 0.970 263 D CA 1.560 55.545 54.000 -0.025 0.000 0.874 263 D CB 0.965 41.755 40.800 -0.017 0.000 0.982 263 D HN 0.849 nan 8.370 nan 0.000 0.504 264 S N -0.433 115.270 115.700 0.006 0.000 2.588 264 S HA 0.677 5.150 4.470 0.005 0.000 0.275 264 S C -0.984 173.614 174.600 -0.004 0.000 1.130 264 S CA -0.896 57.311 58.200 0.011 0.000 0.855 264 S CB 2.372 65.647 63.200 0.127 0.000 1.116 264 S HN 0.013 nan 8.310 nan 0.000 0.472 265 L N 1.623 122.735 121.223 -0.186 0.000 2.401 265 L HA 0.640 4.982 4.340 0.005 0.000 0.266 265 L C -1.492 175.129 176.870 -0.416 0.000 0.991 265 L CA -0.786 53.866 54.840 -0.313 0.000 0.818 265 L CB 2.174 44.001 42.059 -0.387 0.000 1.321 265 L HN 0.830 nan 8.230 nan 0.000 0.413 266 F N 3.217 122.850 119.950 -0.529 0.000 2.408 266 F HA 0.622 5.151 4.527 0.004 0.000 0.344 266 F C -1.034 174.773 175.800 0.012 0.000 1.112 266 F CA -0.448 57.350 58.000 -0.337 0.000 1.096 266 F CB 1.077 39.925 39.000 -0.252 0.000 1.129 266 F HN 0.170 nan 8.300 nan 0.000 0.486 267 L N 6.232 126.980 121.223 -0.793 0.000 2.372 267 L HA 0.611 4.954 4.340 0.005 0.000 0.273 267 L C -0.085 176.278 176.870 -0.846 0.000 0.989 267 L CA -0.290 54.246 54.840 -0.507 0.000 0.841 267 L CB 1.345 43.267 42.059 -0.227 0.000 1.225 267 L HN 0.803 nan 8.230 nan 0.000 0.414 268 A N 3.059 125.536 122.820 -0.571 0.000 2.280 268 A HA 0.620 4.943 4.320 0.005 0.000 0.268 268 A C 0.031 177.235 177.584 -0.634 0.000 1.111 268 A CA -0.490 51.220 52.037 -0.546 0.000 0.814 268 A CB 0.480 19.445 19.000 -0.060 0.000 1.093 268 A HN 0.363 nan 8.150 nan 0.000 0.498 269 V N 0.882 120.308 119.914 -0.813 0.000 2.540 269 V HA 0.394 4.516 4.120 0.005 0.000 0.297 269 V C 1.611 177.431 176.094 -0.457 0.000 1.024 269 V CA 1.822 63.776 62.300 -0.576 0.000 1.105 269 V CB -0.138 31.442 31.823 -0.405 0.000 0.938 269 V HN 1.909 nan 8.190 nan 0.000 0.482 270 G N 3.509 111.974 108.800 -0.558 0.000 2.241 270 G HA2 -0.230 3.732 3.960 0.005 0.000 0.244 270 G HA3 -0.230 3.732 3.960 0.005 0.000 0.244 270 G C 0.266 174.947 174.900 -0.366 0.000 0.998 270 G CA 0.192 45.005 45.100 -0.479 0.000 0.621 270 G HN 0.631 nan 8.290 nan 0.000 0.519 271 Q N 0.184 119.772 119.800 -0.354 0.000 2.354 271 Q HA 0.655 4.998 4.340 0.005 0.000 0.244 271 Q C 0.274 176.044 176.000 -0.383 0.000 0.969 271 Q CA 0.132 55.745 55.803 -0.316 0.000 0.885 271 Q CB 0.592 29.162 28.738 -0.281 0.000 1.241 271 Q HN 0.427 nan 8.270 nan 0.000 0.461 272 R N 0.806 121.066 120.500 -0.400 0.000 2.771 272 R HA 0.547 4.890 4.340 0.005 0.000 0.274 272 R C -1.701 174.331 176.300 -0.447 0.000 0.987 272 R CA -0.561 55.339 56.100 -0.333 0.000 0.908 272 R CB 1.386 31.542 30.300 -0.240 0.000 1.213 272 R HN 0.467 nan 8.270 nan 0.000 0.468 273 Y N -0.148 120.100 120.300 -0.086 0.000 2.362 273 Y HA 0.278 4.831 4.550 0.005 0.000 0.326 273 Y C -1.074 174.793 175.900 -0.055 0.000 1.083 273 Y CA -1.124 56.940 58.100 -0.060 0.000 1.073 273 Y CB 2.168 40.602 38.460 -0.043 0.000 1.211 273 Y HN 0.562 nan 8.280 nan 0.000 0.433 274 D N 3.124 123.593 120.400 0.115 0.000 2.317 274 D HA 0.537 5.180 4.640 0.005 0.000 0.234 274 D C -0.640 175.676 176.300 0.027 0.000 1.112 274 D CA -0.208 53.805 54.000 0.021 0.000 0.840 274 D CB 1.195 41.973 40.800 -0.036 0.000 1.078 274 D HN 0.309 nan 8.370 nan 0.000 0.486 275 V N -0.115 119.795 119.914 -0.007 0.000 3.046 275 V HA 0.730 4.853 4.120 0.005 0.000 0.316 275 V C -0.533 175.526 176.094 -0.057 0.000 1.104 275 V CA -0.868 61.420 62.300 -0.020 0.000 1.006 275 V CB 2.062 33.878 31.823 -0.012 0.000 1.058 275 V HN 0.185 nan 8.190 nan 0.000 0.440 276 V N 3.906 123.801 119.914 -0.032 0.000 2.376 276 V HA 0.473 4.596 4.120 0.005 0.000 0.287 276 V C -0.311 175.796 176.094 0.022 0.000 1.015 276 V CA -0.324 61.966 62.300 -0.016 0.000 0.834 276 V CB 1.218 33.051 31.823 0.017 0.000 1.001 276 V HN 0.712 nan 8.190 nan 0.000 0.428 277 I N 3.632 124.229 120.570 0.044 0.000 2.315 277 I HA 0.426 4.599 4.170 0.005 0.000 0.291 277 I C -0.434 175.768 176.117 0.142 0.000 1.006 277 I CA -0.340 60.994 61.300 0.057 0.000 1.265 277 I CB 1.551 39.548 38.000 -0.004 0.000 1.387 277 I HN 0.480 nan 8.210 nan 0.000 0.475 278 D N 5.877 126.358 120.400 0.135 0.000 2.317 278 D HA 0.308 4.950 4.640 0.005 0.000 0.234 278 D C 0.507 176.922 176.300 0.191 0.000 1.112 278 D CA -0.241 53.849 54.000 0.151 0.000 0.840 278 D CB 2.094 42.951 40.800 0.094 0.000 1.078 278 D HN 0.595 nan 8.370 nan 0.000 0.486 279 A N 1.892 124.831 122.820 0.198 0.000 3.051 279 A HA 0.143 4.466 4.320 0.005 0.000 0.257 279 A C 1.184 178.932 177.584 0.273 0.000 1.785 279 A CA -0.311 51.832 52.037 0.177 0.000 1.420 279 A CB -0.582 18.369 19.000 -0.082 0.000 1.063 279 A HN 0.389 nan 8.150 nan 0.000 0.630 280 S N -0.452 115.366 115.700 0.197 0.000 2.577 280 S HA 0.199 4.672 4.470 0.005 0.000 0.219 280 S C 0.812 175.436 174.600 0.040 0.000 0.962 280 S CA -0.481 57.782 58.200 0.106 0.000 0.921 280 S CB 0.360 63.585 63.200 0.041 0.000 0.789 280 S HN 0.550 nan 8.310 nan 0.000 0.497 281 R N 1.559 122.080 120.500 0.035 0.000 2.606 281 R HA 0.725 5.068 4.340 0.005 0.000 0.249 281 R C 0.217 176.437 176.300 -0.133 0.000 1.127 281 R CA -0.462 55.557 56.100 -0.135 0.000 1.133 281 R CB -0.135 29.899 30.300 -0.443 0.000 1.243 281 R HN 0.257 nan 8.270 nan 0.000 0.558 282 A N 1.947 124.687 122.820 -0.133 0.000 2.477 282 A HA 0.288 4.611 4.320 0.005 0.000 0.246 282 A C -1.960 175.401 177.584 -0.372 0.000 1.078 282 A CA -0.960 50.983 52.037 -0.156 0.000 0.770 282 A CB -0.527 18.427 19.000 -0.077 0.000 1.011 282 A HN 0.288 nan 8.150 nan 0.000 0.494 283 P HA 0.140 nan 4.420 nan 0.000 0.259 283 P C -0.536 176.572 177.300 -0.321 0.000 1.211 283 P CA 0.732 63.581 63.100 -0.419 0.000 0.810 283 P CB 0.391 32.020 31.700 -0.118 0.000 0.815 284 D N 2.219 122.385 120.400 -0.389 0.000 2.851 284 D HA 0.202 4.845 4.640 0.005 0.000 0.339 284 D C -1.113 175.026 176.300 -0.268 0.000 1.347 284 D CA -0.437 53.342 54.000 -0.369 0.000 0.888 284 D CB 1.408 41.833 40.800 -0.625 0.000 1.431 284 D HN 0.063 nan 8.370 nan 0.000 0.509 285 N N 0.668 119.152 118.700 -0.360 0.000 2.408 285 N HA 0.338 5.081 4.740 0.005 0.000 0.280 285 N C -1.177 174.081 175.510 -0.419 0.000 1.002 285 N CA -0.116 52.816 53.050 -0.197 0.000 0.907 285 N CB 1.084 39.457 38.487 -0.190 0.000 1.161 285 N HN 0.253 nan 8.380 nan 0.000 0.488 286 Y N 0.017 120.305 120.300 -0.021 0.000 2.393 286 Y HA 0.339 4.892 4.550 0.004 0.000 0.341 286 Y C 0.006 175.922 175.900 0.027 0.000 0.988 286 Y CA -0.918 57.172 58.100 -0.017 0.000 1.078 286 Y CB 1.227 39.743 38.460 0.093 0.000 1.203 286 Y HN 0.411 nan 8.280 nan 0.000 0.453 287 W N 3.466 124.867 121.300 0.168 0.000 2.190 287 W HA 0.244 4.907 4.660 0.005 0.000 0.330 287 W C -0.474 176.110 176.519 0.108 0.000 1.299 287 W CA -0.451 56.959 57.345 0.108 0.000 1.215 287 W CB 0.453 29.927 29.460 0.024 0.000 1.147 287 W HN 0.415 nan 8.180 nan 0.000 0.563 288 F N 4.529 124.653 119.950 0.291 0.000 2.332 288 F HA 0.379 4.909 4.527 0.004 0.000 0.368 288 F C -0.473 175.376 175.800 0.083 0.000 1.110 288 F CA -0.900 57.138 58.000 0.063 0.000 1.087 288 F CB 0.038 39.124 39.000 0.143 0.000 1.235 288 F HN 0.243 nan 8.300 nan 0.000 0.470 289 N N 4.112 122.635 118.700 -0.296 0.000 2.438 289 N HA 0.488 5.231 4.740 0.005 0.000 0.282 289 N C -1.361 173.897 175.510 -0.419 0.000 1.037 289 N CA -0.552 52.340 53.050 -0.263 0.000 0.942 289 N CB 2.046 40.427 38.487 -0.177 0.000 1.136 289 N HN 0.302 nan 8.380 nan 0.000 0.481 290 V N 2.011 121.736 119.914 -0.315 0.000 2.370 290 V HA 0.505 4.628 4.120 0.005 0.000 0.283 290 V C 0.180 176.065 176.094 -0.348 0.000 1.023 290 V CA -0.373 61.673 62.300 -0.423 0.000 0.857 290 V CB 0.930 32.425 31.823 -0.546 0.000 0.985 290 V HN 0.886 nan 8.190 nan 0.000 0.443 291 T N 1.829 116.165 114.554 -0.364 0.000 2.864 291 T HA 0.805 5.158 4.350 0.005 0.000 0.289 291 T C -0.961 173.499 174.700 -0.400 0.000 1.082 291 T CA -0.662 61.295 62.100 -0.238 0.000 1.009 291 T CB 1.926 70.756 68.868 -0.064 0.000 1.234 291 T HN 0.112 nan 8.240 nan 0.000 0.526 292 F N -0.561 119.424 119.950 0.058 0.000 2.546 292 F HA 0.800 5.330 4.527 0.005 0.000 0.320 292 F C 0.838 176.695 175.800 0.096 0.000 1.076 292 F CA -0.360 57.689 58.000 0.081 0.000 0.928 292 F CB 2.520 41.520 39.000 -0.001 0.000 1.189 292 F HN 1.106 nan 8.300 nan 0.000 0.465 293 G N -0.643 108.352 108.800 0.325 0.000 3.022 293 G HA2 0.488 4.451 3.960 0.005 0.000 0.284 293 G HA3 0.488 4.451 3.960 0.005 0.000 0.284 293 G C 0.348 175.350 174.900 0.170 0.000 1.375 293 G CA -0.553 44.675 45.100 0.215 0.000 0.902 293 G HN 1.282 nan 8.290 nan 0.000 0.538 294 G N -1.010 107.845 108.800 0.092 0.000 2.155 294 G HA2 -0.148 3.815 3.960 0.005 0.000 0.257 294 G HA3 -0.148 3.815 3.960 0.005 0.000 0.257 294 G C 0.668 175.605 174.900 0.061 0.000 0.983 294 G CA 0.847 45.975 45.100 0.046 0.000 0.676 294 G HN 1.494 nan 8.290 nan 0.000 0.528 295 Q N -3.171 116.680 119.800 0.086 0.000 2.451 295 Q HA -0.206 4.136 4.340 0.005 0.000 0.305 295 Q C 1.395 177.462 176.000 0.112 0.000 1.345 295 Q CA 2.109 57.968 55.803 0.095 0.000 0.854 295 Q CB -2.439 26.346 28.738 0.079 0.000 1.162 295 Q HN 2.503 nan 8.270 nan 0.000 0.440 296 A N -2.094 120.793 122.820 0.112 0.000 2.861 296 A HA -0.254 4.069 4.320 0.005 0.000 0.261 296 A C 1.612 179.252 177.584 0.093 0.000 1.351 296 A CA 2.062 54.161 52.037 0.102 0.000 0.904 296 A CB -1.832 17.320 19.000 0.254 0.000 1.076 296 A HN 1.432 nan 8.150 nan 0.000 0.729 297 A N -1.029 121.824 122.820 0.055 0.000 2.067 297 A HA 0.154 4.476 4.320 0.005 0.000 0.219 297 A C 1.656 179.199 177.584 -0.069 0.000 1.158 297 A CA 1.886 53.925 52.037 0.003 0.000 0.661 297 A CB -0.943 18.036 19.000 -0.034 0.000 0.801 297 A HN 2.177 nan 8.150 nan 0.000 0.452 298 c N -3.063 115.488 118.600 -0.082 0.000 2.955 298 c HA 0.661 5.234 4.570 0.005 0.000 0.229 298 c C 0.728 174.761 174.090 -0.096 0.000 1.842 298 c CA -0.617 55.566 56.329 -0.242 0.000 1.539 298 c CB -1.010 41.184 42.510 -0.527 0.000 2.869 298 c HN 1.778 nan 8.230 nan 0.000 0.503 299 G N -0.316 108.439 108.800 -0.074 0.000 2.612 299 G HA2 0.502 4.465 3.960 0.005 0.000 0.686 299 G HA3 0.502 4.465 3.960 0.005 0.000 0.686 299 G C -0.401 174.003 174.900 -0.827 0.000 1.274 299 G CA -0.091 44.875 45.100 -0.224 0.000 0.849 299 G HN 2.286 nan 8.290 nan 0.000 0.595 300 G N -1.420 106.425 108.800 -1.592 0.000 2.523 300 G HA2 0.840 4.803 3.960 0.005 0.000 0.291 300 G HA3 0.840 4.803 3.960 0.005 0.000 0.291 300 G C -0.850 172.872 174.900 -1.962 0.000 1.450 300 G CA 0.930 44.378 45.100 -2.754 0.000 0.790 300 G HN 1.895 nan 8.290 nan 0.000 0.496 301 S N -1.220 113.731 115.700 -1.249 0.000 2.599 301 S HA 0.589 5.062 4.470 0.005 0.000 0.294 301 S C 0.961 175.552 174.600 -0.015 0.000 1.094 301 S CA -0.801 57.194 58.200 -0.342 0.000 0.931 301 S CB 1.496 64.698 63.200 0.005 0.000 1.093 301 S HN 0.514 nan 8.310 nan 0.000 0.488 302 L N 2.007 123.266 121.223 0.061 0.000 2.492 302 L HA 0.210 4.552 4.340 0.005 0.000 0.223 302 L C 0.733 177.626 176.870 0.038 0.000 1.132 302 L CA 0.207 55.101 54.840 0.090 0.000 0.850 302 L CB -0.270 41.820 42.059 0.053 0.000 0.966 302 L HN 0.510 nan 8.230 nan 0.000 0.454 303 N N 1.362 120.071 118.700 0.016 0.000 2.420 303 N HA 0.106 4.849 4.740 0.005 0.000 0.249 303 N C -1.533 173.962 175.510 -0.025 0.000 1.033 303 N CA -2.100 50.954 53.050 0.007 0.000 0.944 303 N CB 1.324 39.817 38.487 0.011 0.000 1.113 303 N HN -0.110 nan 8.380 nan 0.000 0.502 304 P HA -0.083 nan 4.420 nan 0.000 0.220 304 P C -0.545 176.404 177.300 -0.585 0.000 1.148 304 P CA 1.358 64.272 63.100 -0.309 0.000 0.803 304 P CB 0.275 31.768 31.700 -0.345 0.000 0.782 305 H N -0.864 118.202 119.070 -0.008 0.000 2.429 305 H HA 0.369 4.928 4.556 0.005 0.000 0.231 305 H C -2.485 172.788 175.328 -0.092 0.000 1.416 305 H CA -2.094 53.908 56.048 -0.077 0.000 1.443 305 H CB 0.376 30.047 29.762 -0.153 0.000 1.591 305 H HN 0.175 nan 8.280 nan 0.000 0.507 306 P HA 0.331 nan 4.420 nan 0.000 0.276 306 P C -0.466 176.827 177.300 -0.011 0.000 1.253 306 P CA 0.012 63.104 63.100 -0.014 0.000 0.766 306 P CB 1.171 32.826 31.700 -0.074 0.000 0.845 307 A N 2.613 125.493 122.820 0.100 0.000 2.594 307 A HA 0.870 5.192 4.320 0.005 0.000 0.291 307 A C -1.373 176.472 177.584 0.436 0.000 1.105 307 A CA -0.568 51.583 52.037 0.190 0.000 0.694 307 A CB 1.674 20.637 19.000 -0.062 0.000 1.291 307 A HN 0.493 nan 8.150 nan 0.000 0.410 308 A N 0.165 123.314 122.820 0.548 0.000 2.386 308 A HA 0.856 5.178 4.320 0.005 0.000 0.308 308 A C -0.903 177.032 177.584 0.585 0.000 1.128 308 A CA -0.538 51.827 52.037 0.545 0.000 0.789 308 A CB 0.821 20.125 19.000 0.506 0.000 1.325 308 A HN 0.792 nan 8.150 nan 0.000 0.437 309 I N 0.337 121.141 120.570 0.390 0.000 2.404 309 I HA 0.367 4.540 4.170 0.005 0.000 0.293 309 I C -1.373 174.920 176.117 0.294 0.000 0.992 309 I CA -0.191 61.255 61.300 0.244 0.000 1.149 309 I CB 1.546 39.533 38.000 -0.022 0.000 1.315 309 I HN 0.483 nan 8.210 nan 0.000 0.446 310 F N 4.577 124.560 119.950 0.055 0.000 2.311 310 F HA 0.271 4.800 4.527 0.004 0.000 0.371 310 F C 0.306 176.162 175.800 0.093 0.000 1.083 310 F CA -0.648 57.358 58.000 0.010 0.000 1.113 310 F CB 0.189 39.161 39.000 -0.046 0.000 1.349 310 F HN 0.416 nan 8.300 nan 0.000 0.470 311 H N 2.844 121.925 119.070 0.019 0.000 2.646 311 H HA 0.262 4.821 4.556 0.005 0.000 0.325 311 H C -1.232 174.146 175.328 0.084 0.000 1.075 311 H CA -0.145 55.935 56.048 0.053 0.000 1.421 311 H CB 0.461 30.205 29.762 -0.029 0.000 1.461 311 H HN 0.410 nan 8.280 nan 0.000 0.525 312 Y N 3.350 123.328 120.300 -0.538 0.000 2.336 312 Y HA 0.329 4.882 4.550 0.005 0.000 0.335 312 Y C 0.417 175.968 175.900 -0.582 0.000 1.046 312 Y CA -0.244 57.638 58.100 -0.365 0.000 1.198 312 Y CB 0.831 39.203 38.460 -0.147 0.000 1.182 312 Y HN 0.854 nan 8.280 nan 0.000 0.502 313 A N 3.050 125.770 122.820 -0.166 0.000 2.515 313 A HA 0.429 4.752 4.320 0.005 0.000 0.263 313 A C 1.303 178.895 177.584 0.014 0.000 1.096 313 A CA 0.950 52.962 52.037 -0.042 0.000 0.769 313 A CB -0.941 18.063 19.000 0.008 0.000 1.040 313 A HN 1.383 nan 8.150 nan 0.000 0.505 314 G N 1.175 110.004 108.800 0.049 0.000 2.307 314 G HA2 0.190 4.153 3.960 0.005 0.000 0.210 314 G HA3 0.190 4.153 3.960 0.005 0.000 0.210 314 G C 0.655 175.585 174.900 0.050 0.000 1.005 314 G CA 0.225 45.358 45.100 0.055 0.000 0.634 314 G HN 2.041 nan 8.290 nan 0.000 0.496 315 A N 1.832 124.658 122.820 0.011 0.000 2.313 315 A HA 0.737 5.060 4.320 0.005 0.000 0.261 315 A C -1.199 176.470 177.584 0.143 0.000 1.090 315 A CA -0.298 51.747 52.037 0.013 0.000 0.807 315 A CB 0.114 19.069 19.000 -0.075 0.000 1.055 315 A HN 0.346 nan 8.150 nan 0.000 0.492 316 P HA 0.297 nan 4.420 nan 0.000 0.274 316 P C 0.380 177.762 177.300 0.136 0.000 1.246 316 P CA 0.097 63.252 63.100 0.092 0.000 0.795 316 P CB 0.616 32.326 31.700 0.016 0.000 1.006 317 G N -0.832 107.980 108.800 0.021 0.000 2.508 317 G HA2 0.537 4.500 3.960 0.005 0.000 0.278 317 G HA3 0.537 4.500 3.960 0.005 0.000 0.278 317 G C 0.204 175.060 174.900 -0.074 0.000 1.389 317 G CA -0.054 44.995 45.100 -0.085 0.000 1.050 317 G HN 0.871 nan 8.290 nan 0.000 0.522 318 G N -2.185 106.553 108.800 -0.103 0.000 2.610 318 G HA2 -0.035 3.928 3.960 0.005 0.000 0.304 318 G HA3 -0.035 3.928 3.960 0.005 0.000 0.304 318 G C -0.366 174.433 174.900 -0.169 0.000 1.309 318 G CA -0.369 44.671 45.100 -0.099 0.000 0.906 318 G HN 0.836 nan 8.290 nan 0.000 0.521 319 L N 1.138 122.247 121.223 -0.191 0.000 2.375 319 L HA 0.433 4.775 4.340 0.005 0.000 0.271 319 L C -1.654 174.924 176.870 -0.486 0.000 1.107 319 L CA -1.673 52.942 54.840 -0.375 0.000 0.806 319 L CB 0.987 42.930 42.059 -0.193 0.000 1.146 319 L HN 0.357 nan 8.230 nan 0.000 0.447 320 P HA 0.043 nan 4.420 nan 0.000 0.269 320 P C 0.483 177.514 177.300 -0.448 0.000 1.215 320 P CA -0.163 62.450 63.100 -0.811 0.000 0.780 320 P CB 0.709 31.555 31.700 -1.422 0.000 0.898 321 T N -3.156 111.233 114.554 -0.274 0.000 3.040 321 T HA 0.052 4.405 4.350 0.005 0.000 0.252 321 T C 0.492 175.187 174.700 -0.009 0.000 1.064 321 T CA 0.295 62.334 62.100 -0.101 0.000 1.110 321 T CB -0.223 68.581 68.868 -0.106 0.000 0.921 321 T HN 0.227 nan 8.240 nan 0.000 0.480 322 D N 1.633 122.018 120.400 -0.025 0.000 2.359 322 D HA 0.240 4.883 4.640 0.005 0.000 0.230 322 D C 0.742 177.182 176.300 0.234 0.000 1.118 322 D CA -0.327 53.715 54.000 0.071 0.000 0.844 322 D CB 1.337 42.163 40.800 0.043 0.000 1.059 322 D HN 0.326 nan 8.370 nan 0.000 0.493 323 E N 2.025 122.346 120.200 0.202 0.000 2.347 323 E HA 0.155 4.508 4.350 0.005 0.000 0.196 323 E C 1.223 177.883 176.600 0.101 0.000 1.008 323 E CA 0.370 56.869 56.400 0.164 0.000 0.852 323 E CB 0.054 29.762 29.700 0.012 0.000 0.783 323 E HN 0.730 nan 8.360 nan 0.000 0.505 324 G N 1.268 110.128 108.800 0.100 0.000 2.796 324 G HA2 -0.266 3.697 3.960 0.005 0.000 0.226 324 G HA3 -0.266 3.697 3.960 0.005 0.000 0.226 324 G C 0.041 174.961 174.900 0.033 0.000 1.381 324 G CA -0.240 44.904 45.100 0.073 0.000 0.867 324 G HN 0.234 nan 8.290 nan 0.000 0.552 325 T N -0.199 114.371 114.554 0.027 0.000 2.902 325 T HA 0.731 5.084 4.350 0.005 0.000 0.283 325 T C -1.892 172.815 174.700 0.012 0.000 1.009 325 T CA -0.772 61.338 62.100 0.017 0.000 1.051 325 T CB 1.973 70.850 68.868 0.015 0.000 0.999 325 T HN 0.794 nan 8.240 nan 0.000 0.474 326 P HA 0.273 nan 4.420 nan 0.000 0.271 326 P C -2.135 175.175 177.300 0.017 0.000 1.220 326 P CA -0.945 62.167 63.100 0.021 0.000 0.768 326 P CB -0.239 31.484 31.700 0.037 0.000 0.848 327 P HA 0.036 nan 4.420 nan 0.000 0.274 327 P C -0.114 177.205 177.300 0.033 0.000 1.260 327 P CA -0.354 62.760 63.100 0.025 0.000 0.793 327 P CB 0.614 32.335 31.700 0.034 0.000 1.048 328 V N 1.184 121.103 119.914 0.007 0.000 2.655 328 V HA -0.023 4.100 4.120 0.005 0.000 0.300 328 V C 0.494 176.568 176.094 -0.034 0.000 1.044 328 V CA 0.079 62.345 62.300 -0.057 0.000 1.095 328 V CB -0.113 31.616 31.823 -0.156 0.000 0.952 328 V HN 0.559 nan 8.190 nan 0.000 0.485 329 D N 5.180 125.565 120.400 -0.024 0.000 2.363 329 D HA 0.022 4.665 4.640 0.005 0.000 0.263 329 D C 1.060 177.330 176.300 -0.049 0.000 1.258 329 D CA 0.284 54.300 54.000 0.026 0.000 0.907 329 D CB 0.365 41.179 40.800 0.022 0.000 1.107 329 D HN 0.722 nan 8.370 nan 0.000 0.495 330 H N 3.276 122.340 119.070 -0.010 0.000 2.555 330 H HA -0.020 4.539 4.556 0.005 0.000 0.269 330 H C 0.485 175.675 175.328 -0.230 0.000 0.988 330 H CA 0.350 56.339 56.048 -0.098 0.000 1.178 330 H CB 0.544 30.282 29.762 -0.041 0.000 1.373 330 H HN 0.539 nan 8.280 nan 0.000 0.588 331 Q N -1.018 118.742 119.800 -0.066 0.000 2.457 331 Q HA -0.187 4.156 4.340 0.005 0.000 0.283 331 Q C 0.506 176.380 176.000 -0.209 0.000 1.234 331 Q CA 0.853 56.594 55.803 -0.103 0.000 0.877 331 Q CB -2.637 26.051 28.738 -0.083 0.000 1.250 331 Q HN 0.697 nan 8.270 nan 0.000 0.481 332 c N -1.555 116.836 118.600 -0.349 0.000 4.365 332 c HA -0.219 4.354 4.570 0.005 0.000 0.299 332 c C 0.527 174.234 174.090 -0.638 0.000 1.409 332 c CA 0.892 56.937 56.329 -0.474 0.000 2.007 332 c CB -2.217 40.194 42.510 -0.164 0.000 1.264 332 c HN 0.495 nan 8.230 nan 0.000 0.777 333 L N 1.173 121.829 121.223 -0.945 0.000 2.436 333 L HA 0.528 4.871 4.340 0.005 0.000 0.268 333 L C 0.067 176.687 176.870 -0.416 0.000 0.974 333 L CA -0.461 54.084 54.840 -0.491 0.000 0.826 333 L CB 1.452 43.366 42.059 -0.243 0.000 1.291 333 L HN 0.255 nan 8.230 nan 0.000 0.406 334 D N -0.000 120.412 120.400 0.021 0.000 2.354 334 D HA 0.076 4.719 4.640 0.005 0.000 0.247 334 D C 0.017 176.436 176.300 0.199 0.000 1.138 334 D CA -0.399 53.783 54.000 0.305 0.000 0.958 334 D CB 1.560 42.601 40.800 0.401 0.000 1.144 334 D HN 0.307 nan 8.370 nan 0.000 0.458 335 T N 0.530 115.234 114.554 0.250 0.000 2.814 335 T HA 0.215 4.568 4.350 0.005 0.000 0.297 335 T C 0.868 175.660 174.700 0.152 0.000 0.956 335 T CA -0.562 61.640 62.100 0.171 0.000 1.123 335 T CB -0.201 68.757 68.868 0.150 0.000 0.902 335 T HN 0.324 nan 8.240 nan 0.000 0.528 336 L N 4.371 125.653 121.223 0.098 0.000 2.728 336 L HA 0.273 4.616 4.340 0.005 0.000 0.235 336 L C 1.029 177.942 176.870 0.071 0.000 1.197 336 L CA -0.100 54.792 54.840 0.087 0.000 0.992 336 L CB 0.036 42.130 42.059 0.059 0.000 1.263 336 L HN 0.613 nan 8.230 nan 0.000 0.484 337 D N 0.107 120.550 120.400 0.073 0.000 2.346 337 D HA 0.006 4.648 4.640 0.005 0.000 0.206 337 D C 1.003 177.341 176.300 0.064 0.000 1.001 337 D CA 0.452 54.485 54.000 0.055 0.000 0.871 337 D CB 0.514 41.339 40.800 0.042 0.000 0.943 337 D HN 0.183 nan 8.370 nan 0.000 0.518 338 V N 0.351 120.318 119.914 0.088 0.000 2.585 338 V HA 0.268 4.391 4.120 0.005 0.000 0.296 338 V C 0.212 176.352 176.094 0.077 0.000 1.035 338 V CA -0.334 62.022 62.300 0.093 0.000 1.084 338 V CB 0.764 32.669 31.823 0.137 0.000 0.953 338 V HN -0.101 nan 8.190 nan 0.000 0.483 339 R N 5.371 125.911 120.500 0.067 0.000 2.371 339 R HA 0.480 4.823 4.340 0.005 0.000 0.312 339 R C -2.806 173.532 176.300 0.063 0.000 0.980 339 R CA -2.241 53.895 56.100 0.059 0.000 0.867 339 R CB 1.745 32.075 30.300 0.049 0.000 1.163 339 R HN 0.587 nan 8.270 nan 0.000 0.492 340 P HA -0.032 nan 4.420 nan 0.000 0.267 340 P C 1.006 178.353 177.300 0.078 0.000 1.200 340 P CA -0.112 63.032 63.100 0.074 0.000 0.772 340 P CB 0.999 32.749 31.700 0.082 0.000 0.855 341 V N 2.540 122.509 119.914 0.093 0.000 2.307 341 V HA -0.144 3.979 4.120 0.005 0.000 0.245 341 V C 1.361 177.517 176.094 0.103 0.000 1.045 341 V CA 1.565 63.925 62.300 0.101 0.000 1.024 341 V CB -0.431 31.465 31.823 0.122 0.000 0.651 341 V HN 0.323 nan 8.190 nan 0.000 0.449 342 V N 3.889 123.876 119.914 0.122 0.000 2.389 342 V HA 0.236 4.359 4.120 0.005 0.000 0.264 342 V C -1.733 174.396 176.094 0.058 0.000 1.049 342 V CA -1.386 60.964 62.300 0.084 0.000 0.932 342 V CB 0.727 32.580 31.823 0.049 0.000 1.011 342 V HN 0.393 nan 8.190 nan 0.000 0.475 343 P HA 0.450 nan 4.420 nan 0.000 0.276 343 P C -0.835 176.494 177.300 0.048 0.000 1.252 343 P CA -0.692 62.436 63.100 0.046 0.000 0.802 343 P CB 1.284 33.008 31.700 0.039 0.000 1.035 344 R N 0.293 120.816 120.500 0.039 0.000 2.604 344 R HA 0.532 4.875 4.340 0.005 0.000 0.281 344 R C -0.850 175.417 176.300 -0.055 0.000 1.020 344 R CA -0.626 55.499 56.100 0.041 0.000 0.899 344 R CB 1.980 32.331 30.300 0.085 0.000 1.205 344 R HN 0.454 nan 8.270 nan 0.000 0.450 345 S N 0.771 116.419 115.700 -0.086 0.000 2.500 345 S HA 0.625 5.097 4.470 0.005 0.000 0.301 345 S C -1.047 173.362 174.600 -0.317 0.000 1.092 345 S CA -0.712 57.401 58.200 -0.146 0.000 1.030 345 S CB 2.371 65.536 63.200 -0.058 0.000 1.031 345 S HN 0.317 nan 8.310 nan 0.000 0.483 346 V N 4.632 124.332 119.914 -0.357 0.000 2.888 346 V HA 0.637 4.760 4.120 0.005 0.000 0.309 346 V C -2.514 173.481 176.094 -0.165 0.000 1.114 346 V CA -2.099 59.926 62.300 -0.458 0.000 0.940 346 V CB 2.425 33.748 31.823 -0.833 0.000 1.021 346 V HN 0.754 nan 8.190 nan 0.000 0.426 347 P HA 0.262 nan 4.420 nan 0.000 0.280 347 P C 0.138 177.437 177.300 -0.001 0.000 1.244 347 P CA 0.030 63.122 63.100 -0.014 0.000 0.784 347 P CB 1.669 33.368 31.700 -0.001 0.000 0.913 348 V N -0.479 119.425 119.914 -0.016 0.000 3.556 348 V HA 0.063 4.186 4.120 0.005 0.000 0.287 348 V C 1.680 177.778 176.094 0.006 0.000 1.422 348 V CA 0.392 62.685 62.300 -0.011 0.000 1.038 348 V CB -0.726 31.110 31.823 0.021 0.000 0.850 348 V HN 0.473 nan 8.190 nan 0.000 0.437 349 N N 2.799 121.493 118.700 -0.009 0.000 2.300 349 N HA -0.132 4.611 4.740 0.005 0.000 0.179 349 N C 1.615 177.110 175.510 -0.025 0.000 1.016 349 N CA 1.676 54.724 53.050 -0.004 0.000 0.876 349 N CB -0.286 38.195 38.487 -0.010 0.000 0.979 349 N HN 0.658 nan 8.380 nan 0.000 0.432 350 S N -0.522 115.139 115.700 -0.065 0.000 2.593 350 S HA 0.078 4.551 4.470 0.005 0.000 0.217 350 S C 0.410 174.912 174.600 -0.163 0.000 0.966 350 S CA -0.726 57.410 58.200 -0.105 0.000 0.914 350 S CB -0.753 62.383 63.200 -0.108 0.000 0.776 350 S HN 0.290 nan 8.310 nan 0.000 0.523 351 F N 3.176 122.947 119.950 -0.298 0.000 2.578 351 F HA 0.436 4.966 4.527 0.004 0.000 0.381 351 F C -0.397 175.288 175.800 -0.193 0.000 1.069 351 F CA -0.512 57.275 58.000 -0.355 0.000 1.231 351 F CB 0.520 39.276 39.000 -0.406 0.000 1.086 351 F HN -0.087 nan 8.300 nan 0.000 0.564 352 V N 6.799 125.992 119.914 -1.201 0.000 2.709 352 V HA 0.234 4.357 4.120 0.005 0.000 0.308 352 V C -0.355 175.051 176.094 -1.147 0.000 1.062 352 V CA -1.439 60.336 62.300 -0.876 0.000 0.901 352 V CB 1.841 33.400 31.823 -0.440 0.000 1.003 352 V HN 0.645 nan 8.190 nan 0.000 0.425 353 K N 5.759 125.719 120.400 -0.733 0.000 2.338 353 K HA 0.357 4.680 4.320 0.005 0.000 0.290 353 K C -0.168 176.284 176.600 -0.246 0.000 1.069 353 K CA -0.268 55.759 56.287 -0.433 0.000 0.941 353 K CB 0.255 32.664 32.500 -0.151 0.000 1.023 353 K HN 0.774 nan 8.250 nan 0.000 0.477 354 R N 3.278 123.657 120.500 -0.202 0.000 2.854 354 R HA 0.337 4.680 4.340 0.005 0.000 0.271 354 R C -2.392 173.888 176.300 -0.033 0.000 0.996 354 R CA -2.312 53.721 56.100 -0.112 0.000 0.961 354 R CB 0.666 30.887 30.300 -0.131 0.000 1.182 354 R HN 0.226 nan 8.270 nan 0.000 0.479 355 P HA -0.190 nan 4.420 nan 0.000 0.219 355 P C -0.005 177.348 177.300 0.088 0.000 1.146 355 P CA 1.525 64.653 63.100 0.047 0.000 0.808 355 P CB 0.009 31.732 31.700 0.039 0.000 0.779 356 D N -1.596 118.846 120.400 0.070 0.000 2.363 356 D HA -0.101 4.542 4.640 0.005 0.000 0.226 356 D C 1.037 177.430 176.300 0.154 0.000 1.020 356 D CA 0.438 54.512 54.000 0.123 0.000 0.892 356 D CB -1.089 39.758 40.800 0.077 0.000 0.900 356 D HN 0.385 nan 8.370 nan 0.000 0.531 357 N N -1.066 117.677 118.700 0.071 0.000 2.160 357 N HA 0.011 4.754 4.740 0.005 0.000 0.226 357 N C -0.619 175.022 175.510 0.218 0.000 1.256 357 N CA -0.444 52.590 53.050 -0.028 0.000 0.890 357 N CB 0.724 39.056 38.487 -0.260 0.000 1.116 357 N HN -0.160 nan 8.380 nan 0.000 0.517 358 T N 1.611 116.305 114.554 0.233 0.000 2.779 358 T HA 0.398 4.751 4.350 0.005 0.000 0.280 358 T C -0.369 174.488 174.700 0.261 0.000 0.987 358 T CA -0.415 61.822 62.100 0.228 0.000 0.966 358 T CB 2.071 71.023 68.868 0.139 0.000 0.933 358 T HN 0.118 nan 8.240 nan 0.000 0.442 359 L N 5.891 127.280 121.223 0.277 0.000 2.387 359 L HA 0.332 4.675 4.340 0.005 0.000 0.259 359 L C -2.182 174.805 176.870 0.195 0.000 1.050 359 L CA -2.030 52.953 54.840 0.238 0.000 0.922 359 L CB 1.021 43.252 42.059 0.286 0.000 1.280 359 L HN 0.329 nan 8.230 nan 0.000 0.449 360 P HA 0.119 nan 4.420 nan 0.000 0.282 360 P C -0.256 177.122 177.300 0.130 0.000 1.274 360 P CA -0.107 63.083 63.100 0.149 0.000 0.770 360 P CB 1.687 33.465 31.700 0.130 0.000 0.867 361 V N 3.856 123.853 119.914 0.139 0.000 2.546 361 V HA 0.586 4.709 4.120 0.005 0.000 0.284 361 V C 0.687 176.885 176.094 0.173 0.000 1.050 361 V CA -0.051 62.325 62.300 0.127 0.000 0.981 361 V CB 0.796 32.660 31.823 0.069 0.000 0.990 361 V HN 0.800 nan 8.190 nan 0.000 0.474 362 A N 4.765 127.696 122.820 0.186 0.000 2.549 362 A HA 0.794 5.117 4.320 0.005 0.000 0.297 362 A C -1.429 176.208 177.584 0.088 0.000 1.061 362 A CA -0.605 51.519 52.037 0.146 0.000 0.690 362 A CB 1.602 20.654 19.000 0.085 0.000 1.287 362 A HN 0.772 nan 8.150 nan 0.000 0.402 363 L N 1.566 122.750 121.223 -0.064 0.000 2.265 363 L HA 0.615 4.958 4.340 0.005 0.000 0.289 363 L C -0.821 175.922 176.870 -0.213 0.000 1.033 363 L CA -0.046 54.561 54.840 -0.389 0.000 0.814 363 L CB 1.036 42.727 42.059 -0.613 0.000 1.203 363 L HN 0.650 nan 8.230 nan 0.000 0.423 364 D N 4.267 124.540 120.400 -0.210 0.000 2.329 364 D HA 0.288 4.930 4.640 0.005 0.000 0.232 364 D C 0.279 176.479 176.300 -0.167 0.000 1.088 364 D CA -0.057 53.862 54.000 -0.136 0.000 0.835 364 D CB 0.945 41.692 40.800 -0.089 0.000 1.078 364 D HN 0.622 nan 8.370 nan 0.000 0.495 365 L N 2.819 123.952 121.223 -0.150 0.000 2.769 365 L HA 0.151 4.493 4.340 0.005 0.000 0.240 365 L C 1.493 178.270 176.870 -0.155 0.000 1.163 365 L CA 0.079 54.804 54.840 -0.191 0.000 0.962 365 L CB 0.188 42.139 42.059 -0.179 0.000 1.258 365 L HN 0.445 nan 8.230 nan 0.000 0.513 366 T N -3.338 111.148 114.554 -0.114 0.000 3.223 366 T HA 0.417 4.770 4.350 0.005 0.000 0.259 366 T C 0.644 175.295 174.700 -0.082 0.000 1.015 366 T CA 0.034 62.081 62.100 -0.089 0.000 0.908 366 T CB 0.422 69.252 68.868 -0.063 0.000 1.054 366 T HN 0.218 nan 8.240 nan 0.000 0.567 367 G N 0.247 108.988 108.800 -0.098 0.000 3.243 367 G HA2 0.621 4.584 3.960 0.005 0.000 0.248 367 G HA3 0.621 4.584 3.960 0.005 0.000 0.248 367 G C -1.372 173.473 174.900 -0.092 0.000 1.267 367 G CA -0.760 44.292 45.100 -0.080 0.000 0.906 367 G HN 0.220 nan 8.290 nan 0.000 0.592 368 T N 2.124 116.636 114.554 -0.071 0.000 2.847 368 T HA 0.592 4.944 4.350 0.005 0.000 0.291 368 T C -2.249 172.420 174.700 -0.052 0.000 0.998 368 T CA -0.384 61.675 62.100 -0.068 0.000 0.967 368 T CB 1.661 70.501 68.868 -0.047 0.000 0.954 368 T HN 0.351 nan 8.240 nan 0.000 0.441 369 P HA 0.354 nan 4.420 nan 0.000 0.286 369 P C 1.042 178.241 177.300 -0.170 0.000 1.293 369 P CA -0.821 62.217 63.100 -0.103 0.000 0.770 369 P CB 0.573 32.228 31.700 -0.075 0.000 1.206 370 L N -0.509 120.546 121.223 -0.280 0.000 2.005 370 L HA 0.066 4.409 4.340 0.005 0.000 0.207 370 L C 0.558 177.096 176.870 -0.554 0.000 1.072 370 L CA 1.596 56.142 54.840 -0.491 0.000 0.744 370 L CB -0.676 40.935 42.059 -0.748 0.000 0.895 370 L HN 0.178 nan 8.230 nan 0.000 0.433 371 F N 0.401 120.268 119.950 -0.139 0.000 2.406 371 F HA 0.386 4.916 4.527 0.004 0.000 0.358 371 F C -0.150 175.547 175.800 -0.173 0.000 1.161 371 F CA -0.709 57.177 58.000 -0.191 0.000 1.185 371 F CB 0.068 39.025 39.000 -0.073 0.000 1.421 371 F HN -0.357 nan 8.300 nan 0.000 0.576 372 V N 2.531 122.366 119.914 -0.131 0.000 2.487 372 V HA 0.324 4.447 4.120 0.005 0.000 0.298 372 V C -0.891 175.087 176.094 -0.193 0.000 1.028 372 V CA -1.220 61.038 62.300 -0.070 0.000 0.860 372 V CB 1.366 33.157 31.823 -0.052 0.000 0.991 372 V HN 0.546 nan 8.190 nan 0.000 0.427 373 W N 4.047 125.374 121.300 0.045 0.000 2.391 373 W HA 0.640 5.302 4.660 0.004 0.000 0.311 373 W C 0.195 176.701 176.519 -0.022 0.000 1.087 373 W CA -0.550 56.792 57.345 -0.004 0.000 1.209 373 W CB 1.291 30.723 29.460 -0.048 0.000 1.273 373 W HN 0.310 nan 8.180 nan 0.000 0.482 374 K N 2.458 122.970 120.400 0.186 0.000 2.324 374 K HA 0.658 4.981 4.320 0.005 0.000 0.253 374 K C -1.185 175.472 176.600 0.095 0.000 0.932 374 K CA -1.084 55.264 56.287 0.102 0.000 0.799 374 K CB 2.485 35.016 32.500 0.053 0.000 1.154 374 K HN 0.139 nan 8.250 nan 0.000 0.425 375 V N 3.035 122.983 119.914 0.057 0.000 2.378 375 V HA 0.164 4.287 4.120 0.005 0.000 0.288 375 V C 0.182 176.302 176.094 0.043 0.000 1.016 375 V CA -0.765 61.563 62.300 0.048 0.000 0.840 375 V CB 0.860 32.691 31.823 0.014 0.000 0.994 375 V HN 0.952 nan 8.190 nan 0.000 0.431 376 N N 3.609 122.347 118.700 0.063 0.000 2.747 376 N HA -0.183 4.560 4.740 0.005 0.000 0.249 376 N C 0.957 176.494 175.510 0.045 0.000 1.107 376 N CA 1.877 54.965 53.050 0.062 0.000 0.707 376 N CB -1.073 37.453 38.487 0.065 0.000 1.054 376 N HN 1.652 nan 8.380 nan 0.000 0.555 377 G N -2.363 106.462 108.800 0.042 0.000 2.157 377 G HA2 -0.131 3.831 3.960 0.005 0.000 0.239 377 G HA3 -0.131 3.831 3.960 0.005 0.000 0.239 377 G C -0.173 174.739 174.900 0.020 0.000 0.982 377 G CA 0.757 45.876 45.100 0.030 0.000 0.650 377 G HN 1.768 nan 8.290 nan 0.000 0.527 378 S N 0.017 115.728 115.700 0.019 0.000 2.533 378 S HA 0.595 5.068 4.470 0.005 0.000 0.271 378 S C -1.068 173.539 174.600 0.011 0.000 1.143 378 S CA -0.171 58.034 58.200 0.008 0.000 0.891 378 S CB 2.470 65.668 63.200 -0.002 0.000 1.105 378 S HN 0.691 nan 8.310 nan 0.000 0.468 379 D N 1.975 122.381 120.400 0.011 0.000 2.256 379 D HA 0.296 4.939 4.640 0.005 0.000 0.250 379 D C 0.081 176.374 176.300 -0.012 0.000 1.093 379 D CA -0.520 53.492 54.000 0.021 0.000 0.882 379 D CB 1.076 41.899 40.800 0.038 0.000 1.185 379 D HN 0.639 nan 8.370 nan 0.000 0.437 380 I N 1.629 122.184 120.570 -0.025 0.000 2.634 380 I HA 0.049 4.221 4.170 0.005 0.000 0.284 380 I C -0.117 175.953 176.117 -0.077 0.000 1.124 380 I CA 0.087 61.349 61.300 -0.064 0.000 1.417 380 I CB 0.329 38.274 38.000 -0.091 0.000 1.396 380 I HN 0.368 nan 8.210 nan 0.000 0.571 381 N N 6.842 125.481 118.700 -0.102 0.000 2.747 381 N HA 0.167 4.910 4.740 0.005 0.000 0.262 381 N C -1.105 174.310 175.510 -0.158 0.000 1.261 381 N CA -0.387 52.580 53.050 -0.139 0.000 0.809 381 N CB 1.480 39.898 38.487 -0.115 0.000 1.450 381 N HN 0.364 nan 8.380 nan 0.000 0.560 382 V N 0.113 119.906 119.914 -0.200 0.000 2.953 382 V HA 0.525 4.648 4.120 0.005 0.000 0.304 382 V C 0.316 176.273 176.094 -0.229 0.000 1.073 382 V CA -0.432 61.767 62.300 -0.169 0.000 1.064 382 V CB 1.556 33.304 31.823 -0.124 0.000 1.047 382 V HN 0.455 nan 8.190 nan 0.000 0.478 383 D N 2.759 123.105 120.400 -0.090 0.000 2.373 383 D HA 0.235 4.878 4.640 0.005 0.000 0.227 383 D C 0.422 176.762 176.300 0.067 0.000 1.091 383 D CA -0.497 53.467 54.000 -0.060 0.000 0.840 383 D CB 0.894 41.723 40.800 0.048 0.000 1.060 383 D HN 0.696 nan 8.370 nan 0.000 0.502 384 W N 2.670 123.927 121.300 -0.071 0.000 2.392 384 W HA 0.015 4.677 4.660 0.002 0.000 0.279 384 W C 1.913 178.455 176.519 0.038 0.000 1.225 384 W CA 0.882 58.172 57.345 -0.091 0.000 1.233 384 W CB -0.700 28.683 29.460 -0.128 0.000 1.122 384 W HN 0.582 nan 8.180 nan 0.000 0.561 385 G N -0.595 108.412 108.800 0.344 0.000 2.838 385 G HA2 -0.035 3.928 3.960 0.005 0.000 0.210 385 G HA3 -0.035 3.928 3.960 0.005 0.000 0.210 385 G C 0.571 175.575 174.900 0.174 0.000 1.153 385 G CA -0.015 45.276 45.100 0.318 0.000 0.778 385 G HN 0.108 nan 8.290 nan 0.000 0.539 386 K N 0.896 121.389 120.400 0.155 0.000 2.865 386 K HA 0.343 4.666 4.320 0.005 0.000 0.215 386 K C -2.971 173.771 176.600 0.237 0.000 1.120 386 K CA -1.412 54.957 56.287 0.136 0.000 1.037 386 K CB 2.150 34.685 32.500 0.059 0.000 1.233 386 K HN -0.062 nan 8.250 nan 0.000 0.577 387 P HA 0.058 nan 4.420 nan 0.000 0.272 387 P C 0.999 178.515 177.300 0.360 0.000 1.240 387 P CA -0.626 62.650 63.100 0.293 0.000 0.791 387 P CB 0.612 32.529 31.700 0.361 0.000 0.978 388 I N 0.958 121.653 120.570 0.209 0.000 2.335 388 I HA -0.190 3.982 4.170 0.005 0.000 0.251 388 I C 1.863 178.069 176.117 0.149 0.000 1.129 388 I CA 1.624 63.006 61.300 0.137 0.000 1.402 388 I CB -1.117 36.799 38.000 -0.139 0.000 1.069 388 I HN 0.374 nan 8.210 nan 0.000 0.424 389 I N 0.599 121.185 120.570 0.028 0.000 2.493 389 I HA -0.239 3.934 4.170 0.005 0.000 0.254 389 I C 2.161 178.179 176.117 -0.166 0.000 1.160 389 I CA 1.269 62.451 61.300 -0.197 0.000 1.445 389 I CB -1.165 36.526 38.000 -0.516 0.000 1.086 389 I HN 0.222 nan 8.210 nan 0.000 0.433 390 D N 0.040 120.528 120.400 0.146 0.000 2.183 390 D HA -0.201 4.441 4.640 0.005 0.000 0.203 390 D C 2.157 178.507 176.300 0.083 0.000 0.969 390 D CA 1.244 55.368 54.000 0.207 0.000 0.842 390 D CB 0.018 40.987 40.800 0.283 0.000 0.957 390 D HN 0.265 nan 8.370 nan 0.000 0.484 391 Y N 0.010 120.378 120.300 0.115 0.000 2.242 391 Y HA -0.067 4.486 4.550 0.004 0.000 0.291 391 Y C 2.228 178.188 175.900 0.100 0.000 1.137 391 Y CA 0.450 58.629 58.100 0.132 0.000 1.181 391 Y CB -0.077 38.550 38.460 0.278 0.000 0.989 391 Y HN 0.069 nan 8.280 nan 0.000 0.527 392 I N -0.142 120.569 120.570 0.235 0.000 2.179 392 I HA -0.274 3.899 4.170 0.005 0.000 0.242 392 I C 2.039 178.179 176.117 0.038 0.000 1.088 392 I CA 1.632 62.998 61.300 0.110 0.000 1.357 392 I CB -1.179 36.827 38.000 0.011 0.000 1.051 392 I HN 0.279 nan 8.210 nan 0.000 0.409 393 L N 0.330 121.547 121.223 -0.010 0.000 2.465 393 L HA -0.117 4.225 4.340 0.005 0.000 0.224 393 L C 1.922 178.801 176.870 0.015 0.000 1.145 393 L CA 1.309 56.137 54.840 -0.019 0.000 0.834 393 L CB -0.632 41.393 42.059 -0.056 0.000 0.944 393 L HN 0.379 nan 8.230 nan 0.000 0.451 394 T N -4.803 109.768 114.554 0.028 0.000 3.085 394 T HA 0.272 4.625 4.350 0.005 0.000 0.264 394 T C 1.262 175.977 174.700 0.025 0.000 1.019 394 T CA 0.256 62.368 62.100 0.019 0.000 0.910 394 T CB 0.663 69.527 68.868 -0.006 0.000 1.059 394 T HN 0.303 nan 8.240 nan 0.000 0.542 395 G N 2.124 110.949 108.800 0.042 0.000 2.295 395 G HA2 -0.255 3.708 3.960 0.005 0.000 0.287 395 G HA3 -0.255 3.708 3.960 0.005 0.000 0.287 395 G C -0.211 174.707 174.900 0.030 0.000 1.055 395 G CA -0.019 45.105 45.100 0.039 0.000 0.922 395 G HN 0.727 nan 8.290 nan 0.000 0.503 396 N N 0.094 118.831 118.700 0.062 0.000 2.476 396 N HA 0.481 5.223 4.740 0.005 0.000 0.257 396 N C 1.399 176.857 175.510 -0.086 0.000 0.970 396 N CA 0.105 53.184 53.050 0.048 0.000 0.938 396 N CB 1.133 39.694 38.487 0.123 0.000 1.144 396 N HN 0.271 nan 8.380 nan 0.000 0.500 397 T N -1.109 113.276 114.554 -0.282 0.000 3.060 397 T HA 0.049 4.402 4.350 0.005 0.000 0.249 397 T C 0.991 175.138 174.700 -0.922 0.000 1.079 397 T CA -0.112 61.557 62.100 -0.718 0.000 1.013 397 T CB -0.089 68.593 68.868 -0.310 0.000 0.975 397 T HN 0.280 nan 8.240 nan 0.000 0.518 398 S N 1.873 117.299 115.700 -0.456 0.000 4.085 398 S HA 0.226 4.699 4.470 0.005 0.000 0.189 398 S C -0.691 173.759 174.600 -0.251 0.000 1.392 398 S CA -0.873 57.175 58.200 -0.255 0.000 0.972 398 S CB -1.387 61.777 63.200 -0.060 0.000 1.482 398 S HN 0.436 nan 8.310 nan 0.000 0.446 399 Y N 3.135 123.310 120.300 -0.209 0.000 2.465 399 Y HA 0.294 4.847 4.550 0.004 0.000 0.331 399 Y C -1.306 174.464 175.900 -0.216 0.000 1.102 399 Y CA -2.797 55.042 58.100 -0.436 0.000 1.358 399 Y CB -0.478 37.741 38.460 -0.401 0.000 1.213 399 Y HN 0.368 nan 8.280 nan 0.000 0.525 400 P HA 0.006 nan 4.420 nan 0.000 0.269 400 P C 0.852 178.147 177.300 -0.008 0.000 1.209 400 P CA -0.157 62.945 63.100 0.004 0.000 0.776 400 P CB 1.387 33.104 31.700 0.028 0.000 0.876 401 V N 1.508 121.421 119.914 -0.001 0.000 2.317 401 V HA -0.260 3.863 4.120 0.005 0.000 0.251 401 V C 2.741 178.821 176.094 -0.024 0.000 1.065 401 V CA 2.591 64.887 62.300 -0.007 0.000 1.049 401 V CB -1.497 30.325 31.823 -0.001 0.000 0.651 401 V HN 0.686 nan 8.190 nan 0.000 0.450 402 S N -0.865 114.819 115.700 -0.027 0.000 2.440 402 S HA -0.234 4.239 4.470 0.005 0.000 0.238 402 S C 1.668 176.229 174.600 -0.066 0.000 1.010 402 S CA 1.418 59.593 58.200 -0.041 0.000 0.972 402 S CB -0.504 62.673 63.200 -0.038 0.000 0.774 402 S HN 0.638 nan 8.310 nan 0.000 0.501 403 D N 1.077 121.432 120.400 -0.076 0.000 2.355 403 D HA 0.041 4.684 4.640 0.005 0.000 0.218 403 D C 0.094 176.311 176.300 -0.137 0.000 1.004 403 D CA 0.197 54.128 54.000 -0.115 0.000 0.880 403 D CB -0.210 40.504 40.800 -0.142 0.000 0.911 403 D HN 0.277 nan 8.370 nan 0.000 0.528 404 N N 0.971 119.607 118.700 -0.107 0.000 2.705 404 N HA -0.183 4.559 4.740 0.005 0.000 0.255 404 N C -0.506 174.909 175.510 -0.158 0.000 1.008 404 N CA 0.387 53.369 53.050 -0.113 0.000 0.742 404 N CB -1.126 37.290 38.487 -0.118 0.000 0.906 404 N HN 0.324 nan 8.380 nan 0.000 0.541 405 I N 0.642 121.122 120.570 -0.150 0.000 2.452 405 I HA 0.058 4.231 4.170 0.005 0.000 0.287 405 I C 0.692 176.751 176.117 -0.098 0.000 1.079 405 I CA -0.111 61.077 61.300 -0.188 0.000 1.387 405 I CB 0.683 38.513 38.000 -0.284 0.000 1.404 405 I HN -0.139 nan 8.210 nan 0.000 0.522 406 V N 7.368 127.223 119.914 -0.099 0.000 2.275 406 V HA 0.205 4.328 4.120 0.005 0.000 0.272 406 V C 0.390 176.563 176.094 0.131 0.000 1.028 406 V CA -0.705 61.611 62.300 0.026 0.000 0.810 406 V CB 0.968 32.760 31.823 -0.052 0.000 1.043 406 V HN 0.696 nan 8.190 nan 0.000 0.453 407 Q N 3.528 123.401 119.800 0.121 0.000 2.307 407 Q HA 0.345 4.688 4.340 0.005 0.000 0.261 407 Q C -0.859 175.254 176.000 0.188 0.000 1.051 407 Q CA -0.170 55.711 55.803 0.130 0.000 0.911 407 Q CB 1.119 29.926 28.738 0.114 0.000 1.227 407 Q HN 0.630 nan 8.270 nan 0.000 0.418 408 V N 5.215 125.248 119.914 0.198 0.000 2.318 408 V HA 0.106 4.229 4.120 0.005 0.000 0.271 408 V C 0.069 176.238 176.094 0.125 0.000 1.030 408 V CA -0.439 61.978 62.300 0.195 0.000 0.844 408 V CB 1.310 33.254 31.823 0.202 0.000 1.015 408 V HN 0.829 nan 8.190 nan 0.000 0.460 409 D N 3.012 123.471 120.400 0.098 0.000 2.350 409 D HA 0.151 4.794 4.640 0.005 0.000 0.213 409 D C 1.281 177.607 176.300 0.043 0.000 1.031 409 D CA 0.357 54.398 54.000 0.069 0.000 0.861 409 D CB 0.725 41.564 40.800 0.064 0.000 0.926 409 D HN 0.668 nan 8.370 nan 0.000 0.520 410 A N 1.087 123.923 122.820 0.027 0.000 2.566 410 A HA 0.164 4.487 4.320 0.005 0.000 0.245 410 A C 0.388 177.961 177.584 -0.018 0.000 1.056 410 A CA 0.080 52.112 52.037 -0.008 0.000 0.757 410 A CB 0.243 19.216 19.000 -0.045 0.000 0.979 410 A HN -0.025 nan 8.150 nan 0.000 0.508 411 V N 4.039 123.943 119.914 -0.017 0.000 2.348 411 V HA 0.228 4.351 4.120 0.005 0.000 0.270 411 V C 0.490 176.556 176.094 -0.048 0.000 1.037 411 V CA 0.150 62.441 62.300 -0.016 0.000 0.872 411 V CB 0.486 32.310 31.823 0.001 0.000 1.002 411 V HN 1.052 nan 8.190 nan 0.000 0.464 412 D N 3.296 123.652 120.400 -0.073 0.000 2.689 412 D HA -0.188 4.455 4.640 0.005 0.000 0.237 412 D C 0.211 176.394 176.300 -0.195 0.000 1.148 412 D CA 1.198 55.121 54.000 -0.130 0.000 0.656 412 D CB -0.343 40.407 40.800 -0.083 0.000 1.050 412 D HN 0.839 nan 8.370 nan 0.000 0.426 413 Q N -1.073 118.592 119.800 -0.225 0.000 2.416 413 Q HA 0.555 4.898 4.340 0.005 0.000 0.279 413 Q C -0.467 175.320 176.000 -0.355 0.000 1.101 413 Q CA -0.925 54.747 55.803 -0.218 0.000 0.830 413 Q CB 1.028 29.714 28.738 -0.088 0.000 1.402 413 Q HN 0.226 nan 8.270 nan 0.000 0.445 414 W N 1.585 122.761 121.300 -0.206 0.000 2.311 414 W HA 0.269 4.932 4.660 0.004 0.000 0.310 414 W C 0.091 176.296 176.519 -0.522 0.000 1.274 414 W CA -0.035 57.079 57.345 -0.384 0.000 1.215 414 W CB 1.029 30.270 29.460 -0.364 0.000 1.227 414 W HN 0.407 nan 8.180 nan 0.000 0.523 415 T N 0.832 115.088 114.554 -0.496 0.000 2.829 415 T HA 0.520 4.873 4.350 0.005 0.000 0.280 415 T C -1.159 173.028 174.700 -0.855 0.000 0.999 415 T CA -0.866 60.867 62.100 -0.611 0.000 0.983 415 T CB 0.877 69.404 68.868 -0.569 0.000 0.968 415 T HN 0.184 nan 8.240 nan 0.000 0.446 416 Y N 0.915 120.787 120.300 -0.713 0.000 2.341 416 Y HA 0.616 5.169 4.550 0.005 0.000 0.337 416 Y C -0.743 174.516 175.900 -1.068 0.000 1.014 416 Y CA -1.270 56.426 58.100 -0.672 0.000 1.111 416 Y CB 1.344 39.557 38.460 -0.413 0.000 1.194 416 Y HN 0.699 nan 8.280 nan 0.000 0.462 417 W N 4.889 126.154 121.300 -0.058 0.000 2.715 417 W HA 0.554 5.217 4.660 0.005 0.000 0.331 417 W C -1.437 175.058 176.519 -0.041 0.000 1.031 417 W CA -0.732 56.608 57.345 -0.007 0.000 1.237 417 W CB 1.374 30.829 29.460 -0.009 0.000 1.378 417 W HN 0.279 nan 8.180 nan 0.000 0.454 418 L N 5.181 126.506 121.223 0.170 0.000 2.257 418 L HA 0.614 4.957 4.340 0.005 0.000 0.290 418 L C -0.882 176.133 176.870 0.243 0.000 1.044 418 L CA -0.489 54.421 54.840 0.116 0.000 0.810 418 L CB 0.178 42.250 42.059 0.023 0.000 1.193 418 L HN 0.322 nan 8.230 nan 0.000 0.425 419 I N 4.636 125.371 120.570 0.276 0.000 2.321 419 I HA 0.362 4.534 4.170 0.005 0.000 0.291 419 I C -0.080 176.218 176.117 0.301 0.000 0.998 419 I CA -0.104 61.371 61.300 0.292 0.000 1.227 419 I CB 1.387 39.571 38.000 0.308 0.000 1.368 419 I HN 0.565 nan 8.210 nan 0.000 0.466 420 E N 4.394 124.755 120.200 0.269 0.000 2.166 420 E HA 0.273 4.626 4.350 0.005 0.000 0.275 420 E C -0.504 176.239 176.600 0.240 0.000 0.941 420 E CA -0.708 55.863 56.400 0.286 0.000 0.784 420 E CB 1.267 31.119 29.700 0.252 0.000 1.115 420 E HN 0.301 nan 8.360 nan 0.000 0.399 421 N N 3.271 122.119 118.700 0.247 0.000 3.083 421 N HA 0.007 4.750 4.740 0.005 0.000 0.260 421 N C -0.973 174.662 175.510 0.208 0.000 1.163 421 N CA -0.086 53.100 53.050 0.226 0.000 1.060 421 N CB -0.156 38.456 38.487 0.209 0.000 1.345 421 N HN 0.456 nan 8.380 nan 0.000 0.515 422 D N 1.177 121.697 120.400 0.200 0.000 2.810 422 D HA -0.170 4.472 4.640 0.005 0.000 0.224 422 D C -1.556 174.831 176.300 0.145 0.000 1.222 422 D CA 0.008 54.109 54.000 0.169 0.000 0.698 422 D CB 0.173 41.087 40.800 0.189 0.000 0.961 422 D HN 0.381 nan 8.370 nan 0.000 0.403 423 P HA -0.112 nan 4.420 nan 0.000 0.216 423 P C 0.849 178.206 177.300 0.096 0.000 1.153 423 P CA 0.934 64.114 63.100 0.134 0.000 0.848 423 P CB 0.282 32.078 31.700 0.159 0.000 0.787 424 E N -0.449 119.804 120.200 0.090 0.000 2.419 424 E HA 0.209 4.562 4.350 0.005 0.000 0.190 424 E C 1.104 177.745 176.600 0.067 0.000 1.040 424 E CA 0.007 56.448 56.400 0.068 0.000 0.900 424 E CB -0.292 29.444 29.700 0.060 0.000 1.054 424 E HN 0.147 nan 8.360 nan 0.000 0.462 425 G N 1.855 110.705 108.800 0.084 0.000 2.562 425 G HA2 0.265 4.227 3.960 0.005 0.000 0.275 425 G HA3 0.265 4.227 3.960 0.005 0.000 0.275 425 G C -1.618 173.343 174.900 0.101 0.000 1.196 425 G CA -0.933 44.220 45.100 0.089 0.000 0.908 425 G HN -0.077 nan 8.290 nan 0.000 0.524 426 P HA 0.119 nan 4.420 nan 0.000 0.221 426 P C -0.296 177.151 177.300 0.245 0.000 1.155 426 P CA 0.560 63.740 63.100 0.133 0.000 0.812 426 P CB 0.264 32.025 31.700 0.102 0.000 0.801 427 F N -0.784 119.198 119.950 0.053 0.000 2.591 427 F HA 0.651 5.181 4.527 0.004 0.000 0.309 427 F C -1.191 174.673 175.800 0.107 0.000 1.098 427 F CA -1.428 56.614 58.000 0.070 0.000 0.937 427 F CB 1.877 40.920 39.000 0.071 0.000 1.250 427 F HN -0.425 nan 8.300 nan 0.000 0.447 428 S N 5.819 121.355 115.700 -0.274 0.000 2.571 428 S HA 0.838 5.311 4.470 0.005 0.000 0.284 428 S C -1.572 172.781 174.600 -0.412 0.000 1.128 428 S CA -0.519 57.556 58.200 -0.210 0.000 0.970 428 S CB 0.853 64.044 63.200 -0.015 0.000 1.039 428 S HN 0.632 nan 8.310 nan 0.000 0.485 429 L N 4.445 125.475 121.223 -0.322 0.000 2.333 429 L HA 0.617 4.959 4.340 0.005 0.000 0.269 429 L C -2.430 174.130 176.870 -0.517 0.000 1.010 429 L CA -2.666 51.924 54.840 -0.416 0.000 0.818 429 L CB 2.319 44.150 42.059 -0.379 0.000 1.306 429 L HN 0.430 nan 8.230 nan 0.000 0.430 430 P HA 0.197 nan 4.420 nan 0.000 0.279 430 P C -1.401 175.602 177.300 -0.495 0.000 1.239 430 P CA -0.116 62.780 63.100 -0.339 0.000 0.789 430 P CB 0.553 32.127 31.700 -0.210 0.000 0.933 431 H N 2.577 121.651 119.070 0.007 0.000 2.589 431 H HA 0.270 4.829 4.556 0.004 0.000 0.351 431 H C -2.359 173.045 175.328 0.127 0.000 1.074 431 H CA -2.125 53.952 56.048 0.047 0.000 1.203 431 H CB 1.905 31.633 29.762 -0.057 0.000 1.558 431 H HN 0.271 nan 8.280 nan 0.000 0.522 432 P HA 0.099 nan 4.420 nan 0.000 0.280 432 P C -0.207 177.213 177.300 0.199 0.000 1.386 432 P CA -0.455 62.804 63.100 0.266 0.000 0.899 432 P CB 0.343 32.166 31.700 0.206 0.000 1.098 433 M N 3.681 123.374 119.600 0.156 0.000 2.146 433 M HA 0.203 4.686 4.480 0.005 0.000 0.352 433 M C 0.254 176.686 176.300 0.220 0.000 1.343 433 M CA -0.141 55.164 55.300 0.007 0.000 1.115 433 M CB -0.595 31.951 32.600 -0.091 0.000 1.657 433 M HN 0.420 nan 8.290 nan 0.000 0.471 434 H N 2.923 121.973 119.070 -0.034 0.000 2.538 434 H HA 0.713 5.271 4.556 0.004 0.000 0.353 434 H C -2.031 173.398 175.328 0.168 0.000 1.109 434 H CA -0.875 55.254 56.048 0.135 0.000 1.192 434 H CB 1.376 31.194 29.762 0.093 0.000 1.555 434 H HN 0.591 nan 8.280 nan 0.000 0.518 435 L N 5.302 126.411 121.223 -0.190 0.000 2.341 435 L HA 0.368 4.711 4.340 0.005 0.000 0.278 435 L C -0.913 175.721 176.870 -0.394 0.000 1.005 435 L CA -0.291 54.516 54.840 -0.055 0.000 0.818 435 L CB 1.095 43.340 42.059 0.310 0.000 1.259 435 L HN 0.818 nan 8.230 nan 0.000 0.418 436 H N 3.605 122.457 119.070 -0.363 0.000 2.562 436 H HA 0.349 4.907 4.556 0.004 0.000 0.352 436 H C 0.952 176.002 175.328 -0.463 0.000 1.125 436 H CA 0.144 56.070 56.048 -0.203 0.000 1.379 436 H CB 1.190 31.018 29.762 0.111 0.000 1.464 436 H HN 0.966 nan 8.280 nan 0.000 0.563 437 G N 1.661 110.099 108.800 -0.603 0.000 2.228 437 G HA2 -0.255 3.707 3.960 0.005 0.000 0.270 437 G HA3 -0.255 3.707 3.960 0.005 0.000 0.270 437 G C 0.087 174.044 174.900 -1.572 0.000 0.976 437 G CA 0.531 44.723 45.100 -1.514 0.000 0.636 437 G HN 0.785 nan 8.290 nan 0.000 0.542 438 H N -0.599 117.876 119.070 -0.992 0.000 3.016 438 H HA 0.417 4.976 4.556 0.005 0.000 0.362 438 H C -1.488 173.366 175.328 -0.789 0.000 1.233 438 H CA -0.797 54.647 56.048 -1.007 0.000 1.124 438 H CB 1.672 31.006 29.762 -0.714 0.000 1.850 438 H HN 0.145 nan 8.280 nan 0.000 0.549 439 D N 1.931 122.063 120.400 -0.446 0.000 2.217 439 D HA 0.213 4.855 4.640 0.005 0.000 0.243 439 D C -0.190 176.045 176.300 -0.109 0.000 1.054 439 D CA -0.252 53.604 54.000 -0.241 0.000 0.838 439 D CB 1.244 42.055 40.800 0.018 0.000 1.162 439 D HN 0.195 nan 8.370 nan 0.000 0.472 440 F N 0.348 120.339 119.950 0.068 0.000 2.457 440 F HA 0.579 5.109 4.527 0.004 0.000 0.330 440 F C -0.375 175.507 175.800 0.138 0.000 1.069 440 F CA -1.336 56.741 58.000 0.128 0.000 1.009 440 F CB 0.387 39.454 39.000 0.112 0.000 1.276 440 F HN 0.019 nan 8.300 nan 0.000 0.492 441 L N 2.129 123.623 121.223 0.451 0.000 2.289 441 L HA 0.483 4.826 4.340 0.005 0.000 0.285 441 L C -0.675 176.366 176.870 0.284 0.000 1.049 441 L CA -1.223 53.776 54.840 0.265 0.000 0.804 441 L CB 1.678 43.781 42.059 0.072 0.000 1.195 441 L HN 0.468 nan 8.230 nan 0.000 0.428 442 V N 5.318 125.382 119.914 0.249 0.000 2.322 442 V HA 0.104 4.227 4.120 0.005 0.000 0.258 442 V C 1.190 177.348 176.094 0.107 0.000 1.074 442 V CA -0.187 62.230 62.300 0.195 0.000 0.909 442 V CB 0.684 32.634 31.823 0.212 0.000 1.090 442 V HN 0.716 nan 8.190 nan 0.000 0.486 443 L N 3.376 124.645 121.223 0.076 0.000 2.109 443 L HA 0.329 4.671 4.340 0.005 0.000 0.207 443 L C 1.240 178.167 176.870 0.094 0.000 1.086 443 L CA 1.332 56.207 54.840 0.058 0.000 0.760 443 L CB -0.214 41.859 42.059 0.023 0.000 0.910 443 L HN 0.785 nan 8.230 nan 0.000 0.437 444 G N -0.561 108.309 108.800 0.117 0.000 2.349 444 G HA2 0.517 4.480 3.960 0.005 0.000 0.294 444 G HA3 0.517 4.480 3.960 0.005 0.000 0.294 444 G C -1.696 173.193 174.900 -0.019 0.000 1.380 444 G CA -0.725 44.441 45.100 0.111 0.000 0.811 444 G HN 0.161 nan 8.290 nan 0.000 0.519 445 R N -1.649 118.650 120.500 -0.335 0.000 2.747 445 R HA 0.728 5.071 4.340 0.005 0.000 0.272 445 R C -0.144 175.382 176.300 -1.290 0.000 1.032 445 R CA -0.365 55.253 56.100 -0.803 0.000 0.896 445 R CB 0.721 30.785 30.300 -0.393 0.000 1.253 445 R HN 1.055 nan 8.270 nan 0.000 0.461 446 S N 0.425 115.211 115.700 -1.524 0.000 2.579 446 S HA 0.233 4.705 4.470 0.005 0.000 0.275 446 S C -2.198 171.946 174.600 -0.760 0.000 1.345 446 S CA -0.923 56.560 58.200 -1.194 0.000 1.031 446 S CB 0.083 62.742 63.200 -0.903 0.000 0.892 446 S HN 0.448 nan 8.310 nan 0.000 0.529 447 P HA 0.061 nan 4.420 nan 0.000 0.263 447 P C -0.780 176.300 177.300 -0.366 0.000 1.175 447 P CA 0.227 63.001 63.100 -0.543 0.000 0.761 447 P CB 0.126 31.472 31.700 -0.590 0.000 0.794 448 D N 2.254 122.526 120.400 -0.213 0.000 2.363 448 D HA 0.149 4.791 4.640 0.005 0.000 0.263 448 D C 0.267 176.529 176.300 -0.065 0.000 1.258 448 D CA 0.470 54.392 54.000 -0.131 0.000 0.907 448 D CB -0.054 40.681 40.800 -0.108 0.000 1.107 448 D HN 0.036 nan 8.370 nan 0.000 0.495 449 V N 0.661 120.564 119.914 -0.019 0.000 3.141 449 V HA 0.691 4.814 4.120 0.005 0.000 0.312 449 V C -2.708 173.397 176.094 0.019 0.000 1.157 449 V CA -2.618 59.708 62.300 0.043 0.000 1.041 449 V CB 1.625 33.546 31.823 0.164 0.000 1.071 449 V HN 0.105 nan 8.190 nan 0.000 0.441 450 P HA 0.268 nan 4.420 nan 0.000 0.263 450 P C 0.837 178.145 177.300 0.013 0.000 1.195 450 P CA 0.621 63.729 63.100 0.013 0.000 0.762 450 P CB 1.081 32.795 31.700 0.023 0.000 0.799 451 A N 4.331 127.145 122.820 -0.009 0.000 2.032 451 A HA -0.177 4.146 4.320 0.005 0.000 0.221 451 A C 1.776 179.355 177.584 -0.008 0.000 1.165 451 A CA 2.107 54.130 52.037 -0.024 0.000 0.645 451 A CB -1.047 17.924 19.000 -0.050 0.000 0.807 451 A HN 0.551 nan 8.150 nan 0.000 0.453 452 A N -0.275 122.560 122.820 0.023 0.000 2.423 452 A HA 0.372 4.695 4.320 0.005 0.000 0.246 452 A C 1.900 179.522 177.584 0.064 0.000 1.278 452 A CA 0.927 52.996 52.037 0.054 0.000 0.903 452 A CB -0.520 18.528 19.000 0.079 0.000 0.997 452 A HN 0.809 nan 8.150 nan 0.000 0.510 453 S N -0.837 114.891 115.700 0.048 0.000 2.428 453 S HA -0.129 4.344 4.470 0.005 0.000 0.230 453 S C 0.925 175.552 174.600 0.046 0.000 1.014 453 S CA 0.955 59.184 58.200 0.047 0.000 0.957 453 S CB -0.198 63.028 63.200 0.044 0.000 0.784 453 S HN 0.504 nan 8.310 nan 0.000 0.499 454 Q N 0.106 119.934 119.800 0.047 0.000 2.503 454 Q HA -0.166 4.176 4.340 0.005 0.000 0.267 454 Q C -0.801 175.202 176.000 0.005 0.000 1.030 454 Q CA 0.795 56.626 55.803 0.046 0.000 1.041 454 Q CB -2.329 26.463 28.738 0.089 0.000 1.406 454 Q HN 0.822 nan 8.270 nan 0.000 0.524 455 Q N 0.863 120.654 119.800 -0.015 0.000 2.296 455 Q HA 0.237 4.579 4.340 0.005 0.000 0.262 455 Q C 0.148 176.031 176.000 -0.196 0.000 0.981 455 Q CA -0.058 55.670 55.803 -0.125 0.000 0.905 455 Q CB 0.805 29.487 28.738 -0.094 0.000 1.186 455 Q HN -0.009 nan 8.270 nan 0.000 0.399 456 R N 2.651 122.965 120.500 -0.310 0.000 2.346 456 R HA 0.485 4.827 4.340 0.005 0.000 0.311 456 R C -0.914 175.126 176.300 -0.434 0.000 0.983 456 R CA -0.308 55.663 56.100 -0.216 0.000 0.880 456 R CB 0.509 30.764 30.300 -0.075 0.000 1.100 456 R HN 0.444 nan 8.270 nan 0.000 0.453 457 F N 0.612 120.656 119.950 0.157 0.000 2.547 457 F HA 0.430 4.960 4.527 0.004 0.000 0.316 457 F C -0.113 175.907 175.800 0.367 0.000 1.121 457 F CA -0.953 57.194 58.000 0.244 0.000 0.911 457 F CB 2.051 41.211 39.000 0.266 0.000 1.179 457 F HN -0.006 nan 8.300 nan 0.000 0.443 458 V N 3.294 123.496 119.914 0.480 0.000 2.540 458 V HA 0.280 4.403 4.120 0.005 0.000 0.302 458 V C -0.500 175.702 176.094 0.181 0.000 1.035 458 V CA -1.139 61.362 62.300 0.336 0.000 0.873 458 V CB 1.924 33.859 31.823 0.187 0.000 0.992 458 V HN 0.594 nan 8.190 nan 0.000 0.428 459 F N 4.555 124.332 119.950 -0.288 0.000 2.593 459 F HA 0.078 4.608 4.527 0.005 0.000 0.393 459 F C 0.489 176.125 175.800 -0.273 0.000 1.037 459 F CA 0.745 58.338 58.000 -0.678 0.000 1.195 459 F CB 0.150 38.644 39.000 -0.842 0.000 1.034 459 F HN 0.598 nan 8.300 nan 0.000 0.552 460 D N 8.736 128.674 120.400 -0.771 0.000 2.505 460 D HA 0.250 4.892 4.640 0.005 0.000 0.250 460 D C -2.218 173.659 176.300 -0.704 0.000 1.164 460 D CA -1.857 51.849 54.000 -0.491 0.000 0.870 460 D CB 2.303 42.978 40.800 -0.208 0.000 1.160 460 D HN 0.206 nan 8.370 nan 0.000 0.549 461 P HA -0.111 nan 4.420 nan 0.000 0.216 461 P C 1.091 178.257 177.300 -0.224 0.000 1.150 461 P CA 1.173 64.061 63.100 -0.354 0.000 0.843 461 P CB 0.252 31.872 31.700 -0.133 0.000 0.787 462 A N -1.030 121.689 122.820 -0.169 0.000 2.178 462 A HA -0.089 4.234 4.320 0.005 0.000 0.218 462 A C 1.905 179.434 177.584 -0.091 0.000 1.157 462 A CA 2.086 54.061 52.037 -0.103 0.000 0.689 462 A CB -1.147 17.808 19.000 -0.075 0.000 0.787 462 A HN 0.250 nan 8.150 nan 0.000 0.465 463 V N -5.318 114.519 119.914 -0.128 0.000 3.229 463 V HA 0.144 4.267 4.120 0.005 0.000 0.239 463 V C 1.230 177.274 176.094 -0.084 0.000 1.390 463 V CA 0.765 63.018 62.300 -0.078 0.000 1.231 463 V CB -0.258 31.544 31.823 -0.035 0.000 1.025 463 V HN 0.209 nan 8.190 nan 0.000 0.461 464 D N 0.802 121.079 120.400 -0.206 0.000 2.249 464 D HA 0.085 4.728 4.640 0.005 0.000 0.205 464 D C 2.152 178.418 176.300 -0.058 0.000 0.962 464 D CA 0.638 54.542 54.000 -0.159 0.000 0.860 464 D CB 0.383 40.888 40.800 -0.492 0.000 0.955 464 D HN 0.265 nan 8.370 nan 0.000 0.505 465 L N 1.358 122.515 121.223 -0.111 0.000 2.079 465 L HA -0.132 4.211 4.340 0.005 0.000 0.210 465 L C 2.127 179.036 176.870 0.065 0.000 1.081 465 L CA 1.321 56.191 54.840 0.050 0.000 0.752 465 L CB -0.755 41.317 42.059 0.022 0.000 0.896 465 L HN -0.087 nan 8.230 nan 0.000 0.433 466 A N -0.949 121.888 122.820 0.029 0.000 2.067 466 A HA -0.137 4.185 4.320 0.005 0.000 0.217 466 A C 2.260 179.875 177.584 0.051 0.000 1.156 466 A CA 0.643 52.699 52.037 0.032 0.000 0.683 466 A CB -0.374 18.633 19.000 0.012 0.000 0.808 466 A HN 0.379 nan 8.150 nan 0.000 0.455 467 R N -0.767 119.781 120.500 0.079 0.000 2.240 467 R HA 0.195 4.538 4.340 0.005 0.000 0.203 467 R C -0.187 176.187 176.300 0.123 0.000 1.011 467 R CA -0.077 56.081 56.100 0.097 0.000 1.007 467 R CB -0.212 30.165 30.300 0.129 0.000 0.911 467 R HN 0.422 nan 8.270 nan 0.000 0.468 468 L N 1.383 122.695 121.223 0.148 0.000 2.439 468 L HA 0.099 4.442 4.340 0.005 0.000 0.269 468 L C 0.032 176.948 176.870 0.076 0.000 1.179 468 L CA -0.268 54.656 54.840 0.139 0.000 0.828 468 L CB 0.345 42.496 42.059 0.154 0.000 1.106 468 L HN -0.030 nan 8.230 nan 0.000 0.467 469 N N 0.830 119.565 118.700 0.059 0.000 2.442 469 N HA 0.368 5.110 4.740 0.005 0.000 0.274 469 N C 0.181 175.695 175.510 0.007 0.000 1.002 469 N CA -0.363 52.705 53.050 0.031 0.000 0.910 469 N CB 1.887 40.393 38.487 0.032 0.000 1.244 469 N HN 0.618 nan 8.380 nan 0.000 0.492 470 G N 1.447 110.240 108.800 -0.012 0.000 3.192 470 G HA2 0.005 3.967 3.960 0.005 0.000 0.239 470 G HA3 0.005 3.967 3.960 0.005 0.000 0.239 470 G C -0.171 174.690 174.900 -0.065 0.000 1.084 470 G CA -0.201 44.867 45.100 -0.054 0.000 0.784 470 G HN 0.558 nan 8.290 nan 0.000 0.540 471 D N 1.391 121.773 120.400 -0.032 0.000 2.479 471 D HA 0.121 4.764 4.640 0.005 0.000 0.218 471 D C 0.313 176.606 176.300 -0.012 0.000 1.131 471 D CA -0.448 53.538 54.000 -0.023 0.000 0.916 471 D CB -0.051 40.745 40.800 -0.007 0.000 1.022 471 D HN 0.043 nan 8.370 nan 0.000 0.515 472 N N 2.871 121.559 118.700 -0.021 0.000 2.671 472 N HA -0.128 4.615 4.740 0.005 0.000 0.261 472 N C -2.566 172.952 175.510 0.014 0.000 1.053 472 N CA 0.131 53.181 53.050 -0.001 0.000 0.732 472 N CB -0.280 38.217 38.487 0.017 0.000 0.887 472 N HN 0.282 nan 8.380 nan 0.000 0.546 473 P HA 0.301 nan 4.420 nan 0.000 0.275 473 P C -2.628 174.708 177.300 0.060 0.000 1.266 473 P CA -1.158 61.962 63.100 0.033 0.000 0.793 473 P CB 0.111 31.826 31.700 0.024 0.000 1.074 474 P HA 0.187 nan 4.420 nan 0.000 0.267 474 P C -0.158 177.208 177.300 0.110 0.000 1.205 474 P CA 0.534 63.693 63.100 0.098 0.000 0.765 474 P CB 0.249 32.020 31.700 0.119 0.000 0.828 475 R N 4.348 124.896 120.500 0.080 0.000 2.393 475 R HA 0.562 4.905 4.340 0.005 0.000 0.315 475 R C -0.034 176.256 176.300 -0.017 0.000 0.952 475 R CA -0.608 55.529 56.100 0.061 0.000 0.842 475 R CB 0.657 31.009 30.300 0.087 0.000 1.163 475 R HN 0.592 nan 8.270 nan 0.000 0.450 476 R N 1.134 121.543 120.500 -0.152 0.000 2.764 476 R HA 0.160 4.502 4.340 0.005 0.000 0.276 476 R C -0.951 174.974 176.300 -0.625 0.000 1.021 476 R CA -0.637 55.312 56.100 -0.250 0.000 0.870 476 R CB 0.222 30.432 30.300 -0.150 0.000 1.293 476 R HN 0.527 nan 8.270 nan 0.000 0.469 477 D N -0.862 119.299 120.400 -0.399 0.000 2.367 477 D HA 0.104 4.746 4.640 0.005 0.000 0.207 477 D C -0.447 175.828 176.300 -0.042 0.000 1.034 477 D CA 0.278 54.049 54.000 -0.383 0.000 0.861 477 D CB 0.686 41.491 40.800 0.008 0.000 0.943 477 D HN 0.442 nan 8.370 nan 0.000 0.515 478 T N -0.518 114.079 114.554 0.073 0.000 2.928 478 T HA 0.552 4.905 4.350 0.005 0.000 0.296 478 T C -0.982 173.932 174.700 0.357 0.000 1.000 478 T CA -0.699 61.614 62.100 0.354 0.000 0.989 478 T CB 2.075 71.086 68.868 0.238 0.000 1.005 478 T HN -0.029 nan 8.240 nan 0.000 0.442 479 T N 2.354 117.217 114.554 0.514 0.000 2.838 479 T HA 0.658 5.011 4.350 0.005 0.000 0.292 479 T C -1.155 173.710 174.700 0.276 0.000 1.113 479 T CA -0.872 61.454 62.100 0.377 0.000 1.008 479 T CB 1.040 70.175 68.868 0.445 0.000 1.259 479 T HN 0.345 nan 8.240 nan 0.000 0.520 480 M N 3.000 122.731 119.600 0.218 0.000 2.209 480 M HA 0.438 4.921 4.480 0.005 0.000 0.355 480 M C -0.725 175.636 176.300 0.102 0.000 1.171 480 M CA -0.878 54.525 55.300 0.172 0.000 1.069 480 M CB 0.804 33.493 32.600 0.148 0.000 1.622 480 M HN 0.479 nan 8.290 nan 0.000 0.459 481 L N 7.100 128.387 121.223 0.107 0.000 2.261 481 L HA 0.511 4.854 4.340 0.005 0.000 0.289 481 L C -2.445 174.445 176.870 0.034 0.000 1.059 481 L CA -1.428 53.464 54.840 0.086 0.000 0.816 481 L CB 0.785 42.933 42.059 0.149 0.000 1.191 481 L HN 0.359 nan 8.230 nan 0.000 0.431 482 P HA 0.173 nan 4.420 nan 0.000 0.271 482 P C -0.967 176.326 177.300 -0.012 0.000 1.218 482 P CA -0.263 62.807 63.100 -0.050 0.000 0.780 482 P CB 0.603 32.237 31.700 -0.109 0.000 0.901 483 A N 3.021 125.818 122.820 -0.037 0.000 2.524 483 A HA 0.412 4.735 4.320 0.005 0.000 0.250 483 A C 1.562 179.171 177.584 0.042 0.000 1.078 483 A CA 0.680 52.695 52.037 -0.037 0.000 0.761 483 A CB -1.509 17.441 19.000 -0.084 0.000 1.012 483 A HN 0.877 nan 8.150 nan 0.000 0.500 484 G N 1.525 110.367 108.800 0.069 0.000 2.168 484 G HA2 -0.044 3.918 3.960 0.005 0.000 0.263 484 G HA3 -0.044 3.918 3.960 0.005 0.000 0.263 484 G C 0.895 175.918 174.900 0.206 0.000 0.977 484 G CA 1.071 46.241 45.100 0.118 0.000 0.659 484 G HN 1.836 nan 8.290 nan 0.000 0.533 485 G N -0.873 108.054 108.800 0.211 0.000 3.286 485 G HA2 0.740 4.703 3.960 0.005 0.000 0.166 485 G HA3 0.740 4.703 3.960 0.005 0.000 0.166 485 G C 0.058 175.136 174.900 0.297 0.000 1.155 485 G CA -0.113 45.148 45.100 0.269 0.000 0.871 485 G HN 1.049 nan 8.290 nan 0.000 0.637 486 W N -1.930 119.482 121.300 0.187 0.000 3.038 486 W HA 0.778 5.441 4.660 0.004 0.000 0.347 486 W C -2.423 174.172 176.519 0.126 0.000 1.219 486 W CA -1.190 56.257 57.345 0.170 0.000 1.142 486 W CB 1.206 30.798 29.460 0.220 0.000 1.484 486 W HN 0.612 nan 8.180 nan 0.000 0.586 487 L N 2.604 124.067 121.223 0.400 0.000 2.526 487 L HA 0.624 4.967 4.340 0.005 0.000 0.263 487 L C -2.116 174.944 176.870 0.317 0.000 0.943 487 L CA -0.598 54.378 54.840 0.227 0.000 0.859 487 L CB 1.893 44.026 42.059 0.123 0.000 1.313 487 L HN 0.411 nan 8.230 nan 0.000 0.406 488 L N 5.583 126.967 121.223 0.268 0.000 2.305 488 L HA 0.732 5.075 4.340 0.005 0.000 0.284 488 L C -1.497 175.377 176.870 0.006 0.000 1.013 488 L CA -0.049 54.828 54.840 0.062 0.000 0.819 488 L CB 1.248 43.270 42.059 -0.061 0.000 1.227 488 L HN 0.636 nan 8.230 nan 0.000 0.417 489 L N 4.309 125.518 121.223 -0.024 0.000 2.323 489 L HA 0.995 5.338 4.340 0.005 0.000 0.265 489 L C -0.564 176.311 176.870 0.010 0.000 1.012 489 L CA -0.933 53.897 54.840 -0.017 0.000 0.820 489 L CB 2.032 43.994 42.059 -0.161 0.000 1.334 489 L HN 0.705 nan 8.230 nan 0.000 0.427 490 A N 1.750 124.609 122.820 0.066 0.000 2.459 490 A HA 0.804 5.127 4.320 0.005 0.000 0.296 490 A C -1.370 176.390 177.584 0.293 0.000 1.039 490 A CA -0.359 51.667 52.037 -0.019 0.000 0.698 490 A CB 1.364 20.157 19.000 -0.346 0.000 1.261 490 A HN 0.583 nan 8.150 nan 0.000 0.405 491 F N 0.063 120.065 119.950 0.087 0.000 2.588 491 F HA 0.824 5.353 4.527 0.005 0.000 0.310 491 F C -0.424 175.183 175.800 -0.323 0.000 1.082 491 F CA -1.005 56.973 58.000 -0.037 0.000 0.929 491 F CB 1.577 40.417 39.000 -0.266 0.000 1.254 491 F HN 0.610 nan 8.300 nan 0.000 0.455 492 R N 1.522 121.686 120.500 -0.561 0.000 2.265 492 R HA 0.321 4.663 4.340 0.005 0.000 0.314 492 R C -0.087 175.939 176.300 -0.456 0.000 1.053 492 R CA -0.085 55.476 56.100 -0.898 0.000 0.931 492 R CB 0.984 30.510 30.300 -1.292 0.000 1.024 492 R HN 0.922 nan 8.270 nan 0.000 0.457 493 T N 0.846 115.163 114.554 -0.395 0.000 4.475 493 T HA 0.038 4.391 4.350 0.005 0.000 0.254 493 T C 0.142 174.836 174.700 -0.010 0.000 1.160 493 T CA -0.571 61.453 62.100 -0.127 0.000 1.091 493 T CB -0.222 68.576 68.868 -0.117 0.000 1.377 493 T HN 0.649 nan 8.240 nan 0.000 1.057 494 D N -0.001 120.442 120.400 0.072 0.000 2.395 494 D HA 0.087 4.730 4.640 0.005 0.000 0.213 494 D C 0.203 176.575 176.300 0.120 0.000 1.110 494 D CA -0.439 53.594 54.000 0.056 0.000 0.835 494 D CB 0.096 40.886 40.800 -0.016 0.000 0.965 494 D HN 0.414 nan 8.370 nan 0.000 0.505 495 N N 0.853 119.688 118.700 0.226 0.000 2.648 495 N HA 0.285 5.028 4.740 0.005 0.000 0.261 495 N C -3.017 172.759 175.510 0.443 0.000 1.138 495 N CA -1.824 51.356 53.050 0.216 0.000 0.804 495 N CB 1.569 39.988 38.487 -0.112 0.000 1.237 495 N HN -0.211 nan 8.380 nan 0.000 0.532 496 P HA 0.296 nan 4.420 nan 0.000 0.263 496 P C -0.034 177.368 177.300 0.171 0.000 1.195 496 P CA 0.361 63.601 63.100 0.233 0.000 0.762 496 P CB 0.676 32.450 31.700 0.124 0.000 0.799 497 G N 1.779 110.568 108.800 -0.018 0.000 2.316 497 G HA2 0.466 4.429 3.960 0.005 0.000 0.296 497 G HA3 0.466 4.429 3.960 0.005 0.000 0.296 497 G C -1.824 172.561 174.900 -0.859 0.000 1.399 497 G CA -0.281 44.465 45.100 -0.591 0.000 0.833 497 G HN 0.389 nan 8.290 nan 0.000 0.565 498 A N -0.173 122.097 122.820 -0.916 0.000 2.294 498 A HA 0.666 4.989 4.320 0.005 0.000 0.316 498 A C -0.940 176.247 177.584 -0.661 0.000 1.359 498 A CA -0.350 51.327 52.037 -0.600 0.000 0.956 498 A CB -0.306 18.453 19.000 -0.401 0.000 1.155 498 A HN 0.645 nan 8.150 nan 0.000 0.544 499 W N 3.238 124.519 121.300 -0.031 0.000 2.417 499 W HA 0.540 5.203 4.660 0.005 0.000 0.315 499 W C -0.285 176.145 176.519 -0.148 0.000 1.045 499 W CA -0.747 56.569 57.345 -0.049 0.000 1.221 499 W CB 1.136 30.611 29.460 0.024 0.000 1.309 499 W HN 0.410 nan 8.180 nan 0.000 0.453 500 L N 3.620 124.745 121.223 -0.163 0.000 2.426 500 L HA 0.314 4.656 4.340 0.005 0.000 0.271 500 L C -0.423 176.338 176.870 -0.182 0.000 1.169 500 L CA -0.399 54.242 54.840 -0.331 0.000 0.836 500 L CB 0.319 42.001 42.059 -0.628 0.000 1.112 500 L HN 0.355 nan 8.230 nan 0.000 0.465 501 F N 3.859 123.636 119.950 -0.290 0.000 2.610 501 F HA 0.416 4.946 4.527 0.005 0.000 0.355 501 F C -0.255 175.451 175.800 -0.157 0.000 1.140 501 F CA -0.523 57.328 58.000 -0.247 0.000 1.037 501 F CB 0.336 39.172 39.000 -0.273 0.000 1.287 501 F HN 0.560 nan 8.300 nan 0.000 0.457 502 H N 1.968 120.761 119.070 -0.461 0.000 2.941 502 H HA 0.583 5.142 4.556 0.005 0.000 0.344 502 H C -1.147 174.010 175.328 -0.284 0.000 1.235 502 H CA -1.503 54.322 56.048 -0.371 0.000 1.149 502 H CB 1.005 30.656 29.762 -0.185 0.000 1.885 502 H HN 0.556 nan 8.280 nan 0.000 0.558 503 C N 1.777 121.076 119.300 -0.003 0.000 2.435 503 C HA 0.174 4.637 4.460 0.005 0.000 0.375 503 C C 1.324 176.476 174.990 0.270 0.000 1.281 503 C CA -0.247 58.803 59.018 0.053 0.000 1.963 503 C CB -0.794 26.922 27.740 -0.041 0.000 2.490 503 C HN 1.009 nan 8.230 nan 0.000 0.557 504 H N 3.646 122.840 119.070 0.207 0.000 2.547 504 H HA 0.231 4.789 4.556 0.005 0.000 0.266 504 H C 0.588 175.937 175.328 0.034 0.000 0.988 504 H CA 0.611 56.791 56.048 0.220 0.000 1.147 504 H CB 0.138 30.008 29.762 0.180 0.000 1.365 504 H HN 0.658 nan 8.280 nan 0.000 0.589 505 I N 1.337 121.928 120.570 0.035 0.000 2.505 505 I HA -0.055 4.118 4.170 0.005 0.000 0.287 505 I C 1.659 177.540 176.117 -0.392 0.000 1.104 505 I CA -0.151 60.985 61.300 -0.274 0.000 1.387 505 I CB 1.233 38.945 38.000 -0.480 0.000 1.404 505 I HN 0.116 nan 8.210 nan 0.000 0.528 506 A N 7.199 129.651 122.820 -0.614 0.000 1.927 506 A HA -0.195 4.128 4.320 0.005 0.000 0.220 506 A C 1.814 179.230 177.584 -0.279 0.000 1.185 506 A CA 1.661 53.361 52.037 -0.561 0.000 0.639 506 A CB -0.674 17.764 19.000 -0.937 0.000 0.820 506 A HN 0.930 nan 8.150 nan 0.000 0.451 507 W N -1.440 119.801 121.300 -0.098 0.000 2.425 507 W HA -0.056 4.608 4.660 0.006 0.000 0.277 507 W C 2.179 178.782 176.519 0.140 0.000 1.231 507 W CA 0.711 58.056 57.345 -0.001 0.000 1.248 507 W CB -0.483 28.968 29.460 -0.014 0.000 1.117 507 W HN 0.521 nan 8.180 nan 0.000 0.568 508 H N -0.625 118.485 119.070 0.067 0.000 2.384 508 H HA -0.095 4.463 4.556 0.004 0.000 0.300 508 H C 2.403 177.672 175.328 -0.098 0.000 1.057 508 H CA 1.069 57.008 56.048 -0.181 0.000 1.370 508 H CB -0.295 29.166 29.762 -0.501 0.000 1.417 508 H HN -0.022 nan 8.280 nan 0.000 0.527 509 V N 0.300 120.233 119.914 0.032 0.000 2.515 509 V HA -0.202 3.920 4.120 0.005 0.000 0.250 509 V C 2.032 178.138 176.094 0.019 0.000 1.058 509 V CA 1.739 64.021 62.300 -0.029 0.000 1.064 509 V CB -0.206 31.521 31.823 -0.161 0.000 0.675 509 V HN 0.311 nan 8.190 nan 0.000 0.461 510 S N 0.407 116.156 115.700 0.081 0.000 2.402 510 S HA -0.049 4.424 4.470 0.005 0.000 0.229 510 S C 1.766 176.458 174.600 0.153 0.000 1.021 510 S CA 1.203 59.473 58.200 0.116 0.000 0.974 510 S CB -0.397 62.913 63.200 0.183 0.000 0.800 510 S HN 0.777 nan 8.310 nan 0.000 0.484 511 G N -0.295 108.656 108.800 0.252 0.000 2.920 511 G HA2 0.370 4.332 3.960 0.005 0.000 0.208 511 G HA3 0.370 4.332 3.960 0.005 0.000 0.208 511 G C 0.886 175.942 174.900 0.260 0.000 1.159 511 G CA 0.479 45.777 45.100 0.330 0.000 0.784 511 G HN 0.767 nan 8.290 nan 0.000 0.535 512 G N -0.629 108.268 108.800 0.162 0.000 2.192 512 G HA2 -0.216 3.747 3.960 0.005 0.000 0.193 512 G HA3 -0.216 3.747 3.960 0.005 0.000 0.193 512 G C 0.374 175.314 174.900 0.068 0.000 0.999 512 G CA -0.063 45.092 45.100 0.092 0.000 0.659 512 G HN 0.452 nan 8.290 nan 0.000 0.503 513 L N 2.353 123.609 121.223 0.055 0.000 2.415 513 L HA 0.603 4.946 4.340 0.005 0.000 0.269 513 L C 0.429 177.247 176.870 -0.086 0.000 1.244 513 L CA 0.574 55.385 54.840 -0.049 0.000 1.113 513 L CB 0.186 42.102 42.059 -0.238 0.000 1.352 513 L HN 0.274 nan 8.230 nan 0.000 0.433 514 S N 1.724 117.376 115.700 -0.080 0.000 2.595 514 S HA 0.714 5.187 4.470 0.005 0.000 0.270 514 S C -0.938 173.586 174.600 -0.128 0.000 1.145 514 S CA -0.403 57.733 58.200 -0.106 0.000 0.825 514 S CB 1.552 64.691 63.200 -0.101 0.000 1.107 514 S HN 0.241 nan 8.310 nan 0.000 0.461 515 V N 0.141 119.946 119.914 -0.181 0.000 3.167 515 V HA 0.851 4.974 4.120 0.005 0.000 0.310 515 V C -1.590 174.308 176.094 -0.328 0.000 1.207 515 V CA -0.743 61.398 62.300 -0.265 0.000 1.059 515 V CB 2.000 33.598 31.823 -0.374 0.000 1.079 515 V HN 0.829 nan 8.190 nan 0.000 0.446 516 D N 0.416 120.591 120.400 -0.376 0.000 2.476 516 D HA 0.410 5.053 4.640 0.005 0.000 0.251 516 D C -1.490 174.638 176.300 -0.288 0.000 1.291 516 D CA -0.358 53.457 54.000 -0.308 0.000 0.939 516 D CB 1.238 41.884 40.800 -0.258 0.000 1.221 516 D HN 0.387 nan 8.370 nan 0.000 0.567 517 F N 3.454 123.338 119.950 -0.110 0.000 2.494 517 F HA 0.196 4.726 4.527 0.005 0.000 0.351 517 F C 0.769 176.542 175.800 -0.045 0.000 1.205 517 F CA -0.671 57.281 58.000 -0.080 0.000 1.125 517 F CB 0.437 39.412 39.000 -0.041 0.000 1.268 517 F HN 0.286 nan 8.300 nan 0.000 0.593 518 L N 4.534 125.798 121.223 0.069 0.000 2.404 518 L HA 0.187 4.529 4.340 0.005 0.000 0.277 518 L C 0.395 177.311 176.870 0.078 0.000 1.184 518 L CA 0.126 54.941 54.840 -0.043 0.000 1.013 518 L CB -0.266 41.676 42.059 -0.196 0.000 1.318 518 L HN 0.483 nan 8.230 nan 0.000 0.435 519 E N 4.443 124.732 120.200 0.149 0.000 2.257 519 E HA 0.155 4.508 4.350 0.005 0.000 0.278 519 E C -0.121 176.564 176.600 0.141 0.000 1.049 519 E CA -0.492 56.042 56.400 0.224 0.000 0.876 519 E CB 0.324 30.292 29.700 0.447 0.000 1.035 519 E HN 0.496 nan 8.360 nan 0.000 0.419 520 R N 3.762 124.332 120.500 0.118 0.000 2.965 520 R HA -0.151 4.192 4.340 0.005 0.000 0.245 520 R C -1.836 174.502 176.300 0.063 0.000 0.861 520 R CA 0.257 56.409 56.100 0.086 0.000 0.614 520 R CB -0.828 29.526 30.300 0.090 0.000 1.229 520 R HN 0.605 nan 8.270 nan 0.000 0.503 521 P HA -0.269 nan 4.420 nan 0.000 0.218 521 P C 1.170 178.497 177.300 0.046 0.000 1.148 521 P CA 2.003 65.130 63.100 0.045 0.000 0.822 521 P CB 0.168 31.915 31.700 0.078 0.000 0.784 522 A N 1.445 124.295 122.820 0.050 0.000 1.877 522 A HA -0.200 4.123 4.320 0.005 0.000 0.216 522 A C 1.667 179.272 177.584 0.035 0.000 1.186 522 A CA 2.264 54.327 52.037 0.042 0.000 0.620 522 A CB -1.517 17.507 19.000 0.041 0.000 0.822 522 A HN 0.335 nan 8.150 nan 0.000 0.443 523 D N -0.936 119.487 120.400 0.038 0.000 2.340 523 D HA 0.099 4.741 4.640 0.005 0.000 0.220 523 D C 1.297 177.618 176.300 0.034 0.000 1.039 523 D CA 0.201 54.223 54.000 0.037 0.000 0.866 523 D CB -0.005 40.820 40.800 0.041 0.000 0.913 523 D HN 0.330 nan 8.370 nan 0.000 0.523 524 L N 0.340 121.577 121.223 0.023 0.000 2.102 524 L HA 0.161 4.504 4.340 0.005 0.000 0.202 524 L C 2.206 179.069 176.870 -0.012 0.000 1.076 524 L CA 1.354 56.194 54.840 0.001 0.000 0.761 524 L CB -0.518 41.522 42.059 -0.031 0.000 0.921 524 L HN -0.106 nan 8.230 nan 0.000 0.444 525 R N 0.379 120.875 120.500 -0.008 0.000 2.091 525 R HA -0.223 4.120 4.340 0.005 0.000 0.238 525 R C 2.321 178.619 176.300 -0.003 0.000 1.136 525 R CA 2.195 58.288 56.100 -0.012 0.000 0.959 525 R CB -0.694 29.607 30.300 0.002 0.000 0.856 525 R HN 0.768 nan 8.270 nan 0.000 0.437 526 Q N -0.512 119.293 119.800 0.010 0.000 2.291 526 Q HA -0.127 4.216 4.340 0.005 0.000 0.205 526 Q C 1.389 177.400 176.000 0.018 0.000 0.970 526 Q CA 1.397 57.209 55.803 0.015 0.000 0.876 526 Q CB -0.144 28.605 28.738 0.020 0.000 0.935 526 Q HN 0.309 nan 8.270 nan 0.000 0.455 527 R N 0.405 120.917 120.500 0.020 0.000 2.317 527 R HA 0.310 4.653 4.340 0.005 0.000 0.208 527 R C -0.023 176.293 176.300 0.026 0.000 0.914 527 R CA -0.092 56.026 56.100 0.029 0.000 1.060 527 R CB 0.326 30.651 30.300 0.042 0.000 1.015 527 R HN 0.258 nan 8.270 nan 0.000 0.498 528 I N 2.467 123.042 120.570 0.007 0.000 2.301 528 I HA 0.030 4.202 4.170 0.005 0.000 0.292 528 I C 0.646 176.771 176.117 0.012 0.000 1.046 528 I CA -0.356 60.944 61.300 -0.001 0.000 1.282 528 I CB 1.129 39.099 38.000 -0.048 0.000 1.409 528 I HN 0.088 nan 8.210 nan 0.000 0.484 529 S N 5.268 120.987 115.700 0.032 0.000 2.576 529 S HA 0.059 4.532 4.470 0.005 0.000 0.272 529 S C 0.906 175.525 174.600 0.032 0.000 1.352 529 S CA -0.522 57.700 58.200 0.036 0.000 1.021 529 S CB 1.260 64.490 63.200 0.051 0.000 0.887 529 S HN 0.599 nan 8.310 nan 0.000 0.542 530 Q N 0.741 120.560 119.800 0.031 0.000 2.170 530 Q HA -0.136 4.206 4.340 0.005 0.000 0.203 530 Q C 1.834 177.857 176.000 0.039 0.000 0.976 530 Q CA 1.709 57.531 55.803 0.031 0.000 0.858 530 Q CB -0.340 28.414 28.738 0.027 0.000 0.907 530 Q HN 0.831 nan 8.270 nan 0.000 0.433 531 E N 0.567 120.793 120.200 0.042 0.000 2.072 531 E HA -0.144 4.209 4.350 0.005 0.000 0.191 531 E C 1.587 178.222 176.600 0.058 0.000 0.985 531 E CA 1.185 57.613 56.400 0.048 0.000 0.801 531 E CB -0.097 29.633 29.700 0.050 0.000 0.750 531 E HN 0.252 nan 8.360 nan 0.000 0.452 532 D N 0.017 120.457 120.400 0.066 0.000 2.149 532 D HA -0.130 4.512 4.640 0.005 0.000 0.201 532 D C 1.820 178.157 176.300 0.061 0.000 0.972 532 D CA 0.878 54.912 54.000 0.056 0.000 0.835 532 D CB -0.066 40.771 40.800 0.062 0.000 0.966 532 D HN 0.269 nan 8.370 nan 0.000 0.476 533 E N 0.470 120.702 120.200 0.054 0.000 2.046 533 E HA -0.157 4.196 4.350 0.005 0.000 0.190 533 E C 1.145 177.834 176.600 0.147 0.000 0.982 533 E CA 1.017 57.464 56.400 0.078 0.000 0.800 533 E CB 0.197 29.918 29.700 0.036 0.000 0.756 533 E HN 0.093 nan 8.360 nan 0.000 0.449 534 D N 0.489 120.944 120.400 0.093 0.000 2.144 534 D HA -0.150 4.493 4.640 0.005 0.000 0.200 534 D C 1.480 177.823 176.300 0.072 0.000 0.978 534 D CA 1.156 55.203 54.000 0.078 0.000 0.833 534 D CB -0.267 40.563 40.800 0.049 0.000 0.961 534 D HN 0.238 nan 8.370 nan 0.000 0.470 535 D N -0.658 119.783 120.400 0.068 0.000 2.183 535 D HA -0.110 4.533 4.640 0.005 0.000 0.203 535 D C 1.722 178.045 176.300 0.038 0.000 0.969 535 D CA 0.269 54.289 54.000 0.034 0.000 0.842 535 D CB -0.089 40.717 40.800 0.009 0.000 0.957 535 D HN 0.096 nan 8.370 nan 0.000 0.484 536 F N 0.821 120.742 119.950 -0.048 0.000 2.146 536 F HA -0.078 4.452 4.527 0.005 0.000 0.298 536 F C 1.791 177.585 175.800 -0.010 0.000 1.096 536 F CA 1.101 59.074 58.000 -0.045 0.000 1.275 536 F CB -0.192 38.782 39.000 -0.044 0.000 1.008 536 F HN -0.098 nan 8.300 nan 0.000 0.480 537 N N 0.494 119.231 118.700 0.062 0.000 2.459 537 N HA -0.112 4.631 4.740 0.005 0.000 0.181 537 N C 1.968 177.444 175.510 -0.056 0.000 1.046 537 N CA 0.595 53.636 53.050 -0.014 0.000 0.904 537 N CB -0.405 38.146 38.487 0.107 0.000 0.964 537 N HN 0.422 nan 8.380 nan 0.000 0.444 538 R N 0.807 121.284 120.500 -0.039 0.000 2.052 538 R HA 0.013 4.355 4.340 0.005 0.000 0.226 538 R C 1.802 178.077 176.300 -0.042 0.000 1.145 538 R CA 0.928 57.013 56.100 -0.025 0.000 0.952 538 R CB -0.177 30.117 30.300 -0.011 0.000 0.847 538 R HN -0.086 nan 8.270 nan 0.000 0.431 539 V N 0.567 120.432 119.914 -0.082 0.000 2.407 539 V HA -0.307 3.816 4.120 0.005 0.000 0.248 539 V C 2.511 178.575 176.094 -0.050 0.000 1.055 539 V CA 1.592 63.849 62.300 -0.072 0.000 1.049 539 V CB -0.533 31.215 31.823 -0.125 0.000 0.662 539 V HN 0.519 nan 8.190 nan 0.000 0.455 540 c N -0.017 118.474 118.600 -0.182 0.000 2.440 540 c HA -0.111 4.462 4.570 0.005 0.000 0.278 540 c C 2.483 176.587 174.090 0.023 0.000 1.295 540 c CA 0.752 57.003 56.329 -0.130 0.000 1.738 540 c CB -0.963 41.314 42.510 -0.388 0.000 1.987 540 c HN 0.590 nan 8.230 nan 0.000 0.492 541 D N 0.517 120.917 120.400 -0.000 0.000 2.183 541 D HA -0.078 4.565 4.640 0.005 0.000 0.203 541 D C 2.104 178.442 176.300 0.063 0.000 0.969 541 D CA 1.014 55.033 54.000 0.030 0.000 0.842 541 D CB -0.369 40.440 40.800 0.015 0.000 0.957 541 D HN 0.607 nan 8.370 nan 0.000 0.484 542 E N -0.270 119.980 120.200 0.083 0.000 2.158 542 E HA -0.097 4.256 4.350 0.005 0.000 0.191 542 E C 1.909 178.629 176.600 0.199 0.000 0.982 542 E CA 0.218 56.687 56.400 0.113 0.000 0.823 542 E CB 0.006 29.763 29.700 0.095 0.000 0.766 542 E HN 0.406 nan 8.360 nan 0.000 0.468 543 W N 1.922 123.260 121.300 0.063 0.000 2.407 543 W HA -0.070 4.593 4.660 0.005 0.000 0.305 543 W C 1.612 178.254 176.519 0.205 0.000 1.196 543 W CA 0.854 58.283 57.345 0.140 0.000 1.311 543 W CB -0.001 29.499 29.460 0.066 0.000 1.135 543 W HN -0.081 nan 8.180 nan 0.000 0.514 544 R N 0.296 120.842 120.500 0.076 0.000 2.285 544 R HA -0.087 4.256 4.340 0.005 0.000 0.213 544 R C 2.164 178.449 176.300 -0.026 0.000 1.068 544 R CA 1.012 57.111 56.100 -0.001 0.000 1.004 544 R CB -0.271 30.068 30.300 0.066 0.000 0.873 544 R HN 0.139 nan 8.270 nan 0.000 0.467 545 A N -0.364 122.452 122.820 -0.007 0.000 1.997 545 A HA -0.099 4.223 4.320 0.005 0.000 0.212 545 A C 1.740 179.293 177.584 -0.052 0.000 1.178 545 A CA 0.305 52.336 52.037 -0.011 0.000 0.698 545 A CB -0.278 18.739 19.000 0.029 0.000 0.842 545 A HN 0.360 nan 8.150 nan 0.000 0.458 546 Y N -1.016 119.195 120.300 -0.148 0.000 2.206 546 Y HA -0.159 4.394 4.550 0.005 0.000 0.292 546 Y C 2.263 178.006 175.900 -0.262 0.000 1.123 546 Y CA 1.478 59.463 58.100 -0.191 0.000 1.142 546 Y CB -0.516 37.842 38.460 -0.171 0.000 1.006 546 Y HN 0.500 nan 8.280 nan 0.000 0.518 547 W N 2.252 123.059 121.300 -0.821 0.000 2.290 547 W HA -0.246 4.420 4.660 0.010 0.000 0.318 547 W C -0.959 175.273 176.519 -0.477 0.000 1.248 547 W CA 2.341 59.251 57.345 -0.725 0.000 1.263 547 W CB -1.563 27.523 29.460 -0.622 0.000 1.147 547 W HN 0.196 nan 8.180 nan 0.000 0.494 548 P HA -0.158 nan 4.420 nan 0.000 0.221 548 P C 1.638 178.657 177.300 -0.468 0.000 1.145 548 P CA 2.995 65.862 63.100 -0.388 0.000 0.795 548 P CB -0.471 31.111 31.700 -0.196 0.000 0.775 549 T N -5.563 108.651 114.554 -0.567 0.000 3.067 549 T HA 0.036 4.389 4.350 0.005 0.000 0.257 549 T C 0.894 175.234 174.700 -0.601 0.000 1.105 549 T CA -0.173 61.617 62.100 -0.517 0.000 1.104 549 T CB -0.972 67.627 68.868 -0.449 0.000 0.925 549 T HN -0.101 nan 8.240 nan 0.000 0.498 550 N N 3.594 121.793 118.700 -0.835 0.000 2.440 550 N HA 0.148 4.891 4.740 0.005 0.000 0.265 550 N C -1.110 174.098 175.510 -0.503 0.000 1.239 550 N CA -1.572 51.097 53.050 -0.635 0.000 0.909 550 N CB 1.163 39.233 38.487 -0.696 0.000 1.066 550 N HN 0.151 nan 8.380 nan 0.000 0.474 551 P HA -0.030 nan 4.420 nan 0.000 0.237 551 P C -0.865 176.193 177.300 -0.404 0.000 1.178 551 P CA 0.828 63.653 63.100 -0.460 0.000 0.766 551 P CB 0.170 31.518 31.700 -0.587 0.000 0.876 552 Y N 1.316 121.572 120.300 -0.073 0.000 2.429 552 Y HA 0.479 5.029 4.550 -0.001 0.000 0.342 552 Y C -1.914 174.010 175.900 0.040 0.000 1.004 552 Y CA -3.559 54.559 58.100 0.029 0.000 1.075 552 Y CB 0.964 39.513 38.460 0.148 0.000 1.214 552 Y HN -0.105 nan 8.280 nan 0.000 0.455 553 P HA 0.250 nan 4.420 nan 0.000 0.281 553 P C -1.210 176.403 177.300 0.522 0.000 1.281 553 P CA -0.921 62.396 63.100 0.361 0.000 0.811 553 P CB 1.524 33.364 31.700 0.233 0.000 1.154 554 K N 1.134 121.840 120.400 0.510 0.000 2.284 554 K HA 0.193 4.516 4.320 0.005 0.000 0.287 554 K C 0.861 177.527 176.600 0.109 0.000 1.081 554 K CA -0.453 55.975 56.287 0.236 0.000 0.910 554 K CB 0.046 32.460 32.500 -0.144 0.000 1.088 554 K HN 0.217 nan 8.250 nan 0.000 0.478 555 I N 2.814 123.458 120.570 0.124 0.000 3.030 555 I HA -0.075 4.097 4.170 0.005 0.000 0.270 555 I C 0.734 176.885 176.117 0.058 0.000 1.211 555 I CA 0.813 62.177 61.300 0.106 0.000 1.479 555 I CB -0.899 37.191 38.000 0.151 0.000 1.105 555 I HN 0.732 nan 8.210 nan 0.000 0.447 556 D N -1.439 118.965 120.400 0.007 0.000 2.846 556 D HA 0.088 4.731 4.640 0.005 0.000 0.273 556 D C 1.075 177.309 176.300 -0.111 0.000 1.145 556 D CA 0.257 54.252 54.000 -0.008 0.000 1.091 556 D CB 0.127 40.963 40.800 0.060 0.000 1.364 556 D HN -0.112 nan 8.370 nan 0.000 0.613 557 S N -1.712 113.941 115.700 -0.077 0.000 2.442 557 S HA 0.131 4.604 4.470 0.005 0.000 0.236 557 S C 1.860 176.319 174.600 -0.236 0.000 1.007 557 S CA 1.457 59.578 58.200 -0.131 0.000 0.965 557 S CB -1.024 62.135 63.200 -0.067 0.000 0.773 557 S HN 1.626 nan 8.310 nan 0.000 0.504 558 G N 0.266 108.948 108.800 -0.196 0.000 2.175 558 G HA2 -0.196 3.767 3.960 0.005 0.000 0.244 558 G HA3 -0.196 3.767 3.960 0.005 0.000 0.244 558 G C -0.045 174.961 174.900 0.176 0.000 0.982 558 G CA 0.405 45.423 45.100 -0.137 0.000 0.641 558 G HN 0.557 nan 8.290 nan 0.000 0.527 559 L N 0.000 121.259 121.223 0.060 0.000 2.949 559 L HA 0.000 4.343 4.340 0.005 0.000 0.249 559 L CA 0.000 54.900 54.840 0.100 0.000 0.813 559 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502