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 3fu7_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTCNTPSNR ACWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIXQK 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 0.000 176.366 176.600 -0.390 0.000 1.382 1 E CA 0.000 56.338 56.400 -0.103 0.000 0.976 1 E CB 0.000 29.636 29.700 -0.107 0.000 0.812 2 P HA 0.238 nan 4.420 nan 0.000 0.276 2 P C 0.084 177.019 177.300 -0.609 0.000 1.244 2 P CA -0.253 62.069 63.100 -1.297 0.000 0.801 2 P CB 1.354 31.988 31.700 -1.777 0.000 1.006 3 T N -3.711 110.562 114.554 -0.468 0.000 2.986 3 T HA 0.124 4.474 4.350 0.000 0.000 0.264 3 T C 0.850 175.441 174.700 -0.182 0.000 0.964 3 T CA 0.264 62.213 62.100 -0.251 0.000 0.895 3 T CB -0.898 67.873 68.868 -0.163 0.000 1.163 3 T HN 0.611 nan 8.240 nan 0.000 0.517 4 C N 0.472 119.658 119.300 -0.189 0.000 3.680 4 C HA 0.487 4.947 4.460 0.000 0.000 0.301 4 C C 0.036 174.986 174.990 -0.067 0.000 2.566 4 C CA -1.418 57.543 59.018 -0.096 0.000 1.614 4 C CB -1.765 25.949 27.740 -0.044 0.000 3.388 4 C HN 0.482 nan 8.230 nan 0.000 0.384 5 N N 2.879 121.511 118.700 -0.113 0.000 2.462 5 N HA 0.413 5.153 4.740 0.000 0.000 0.242 5 N C -0.247 175.227 175.510 -0.060 0.000 1.010 5 N CA 0.740 53.774 53.050 -0.026 0.000 0.939 5 N CB 1.271 39.790 38.487 0.052 0.000 1.127 5 N HN 0.765 nan 8.380 nan 0.000 0.509 6 T N 0.949 115.464 114.554 -0.064 0.000 2.930 6 T HA 0.451 4.801 4.350 0.000 0.000 0.290 6 T C -2.092 172.527 174.700 -0.135 0.000 1.052 6 T CA -1.698 60.350 62.100 -0.086 0.000 1.017 6 T CB 1.938 70.767 68.868 -0.065 0.000 1.137 6 T HN 0.089 nan 8.240 nan 0.000 0.511 7 P HA -0.113 nan 4.420 nan 0.000 0.216 7 P C 1.651 178.861 177.300 -0.150 0.000 1.150 7 P CA 1.446 64.430 63.100 -0.193 0.000 0.843 7 P CB -0.046 31.577 31.700 -0.127 0.000 0.787 8 S N -3.208 112.438 115.700 -0.090 0.000 2.528 8 S HA 0.058 4.528 4.470 0.000 0.000 0.219 8 S C 0.983 175.558 174.600 -0.043 0.000 0.985 8 S CA 0.169 58.335 58.200 -0.056 0.000 0.914 8 S CB -0.659 62.519 63.200 -0.036 0.000 0.776 8 S HN -0.022 nan 8.310 nan 0.000 0.526 9 N N 0.942 119.611 118.700 -0.051 0.000 2.750 9 N HA 0.330 5.070 4.740 0.000 0.000 0.253 9 N C 0.300 175.798 175.510 -0.020 0.000 1.408 9 N CA -0.417 52.621 53.050 -0.020 0.000 0.780 9 N CB 0.546 39.030 38.487 -0.005 0.000 1.191 9 N HN -0.002 nan 8.380 nan 0.000 0.511 10 R N 0.505 120.980 120.500 -0.041 0.000 2.236 10 R HA 0.164 4.504 4.340 0.000 0.000 0.208 10 R C 1.471 177.816 176.300 0.075 0.000 1.036 10 R CA 0.638 56.725 56.100 -0.023 0.000 1.001 10 R CB -0.418 29.818 30.300 -0.107 0.000 0.896 10 R HN 0.475 nan 8.270 nan 0.000 0.464 11 A N 0.619 123.484 122.820 0.076 0.000 1.972 11 A HA -0.097 4.223 4.320 0.000 0.000 0.219 11 A C 1.104 178.775 177.584 0.146 0.000 1.169 11 A CA 0.722 52.821 52.037 0.102 0.000 0.635 11 A CB -0.265 18.787 19.000 0.087 0.000 0.810 11 A HN 0.282 nan 8.150 nan 0.000 0.446 12 C N -2.010 117.379 119.300 0.148 0.000 2.466 12 C HA 0.365 4.825 4.460 0.000 0.000 0.379 12 C C 1.182 176.365 174.990 0.321 0.000 1.251 12 C CA -0.602 58.531 59.018 0.190 0.000 2.263 12 C CB 0.341 28.146 27.740 0.107 0.000 2.511 12 C HN 0.736 nan 8.230 nan 0.000 0.573 13 W N 0.770 122.134 121.300 0.108 0.000 4.366 13 W HA 0.233 4.893 4.660 0.000 0.000 0.201 13 W C 0.402 176.979 176.519 0.098 0.000 0.994 13 W CA 0.596 58.012 57.345 0.119 0.000 2.324 13 W CB -0.349 29.254 29.460 0.238 0.000 1.011 13 W HN 0.740 nan 8.180 nan 0.000 0.846 14 S N -0.076 115.756 115.700 0.220 0.000 2.656 14 S HA 0.230 4.700 4.470 0.000 0.000 0.273 14 S C -1.499 173.212 174.600 0.184 0.000 1.168 14 S CA -0.699 57.541 58.200 0.067 0.000 0.817 14 S CB 2.106 65.299 63.200 -0.012 0.000 1.146 14 S HN 0.061 nan 8.310 nan 0.000 0.475 15 D N 0.259 120.729 120.400 0.116 0.000 2.472 15 D HA 0.426 5.066 4.640 0.000 0.000 0.248 15 D C 1.503 177.857 176.300 0.089 0.000 1.174 15 D CA 2.041 56.093 54.000 0.088 0.000 0.883 15 D CB -0.264 40.562 40.800 0.044 0.000 1.149 15 D HN 1.327 nan 8.370 nan 0.000 0.488 16 G N 2.882 111.660 108.800 -0.037 0.000 2.159 16 G HA2 -0.262 3.698 3.960 0.000 0.000 0.256 16 G HA3 -0.262 3.698 3.960 0.000 0.000 0.256 16 G C 0.010 174.530 174.900 -0.633 0.000 0.977 16 G CA -0.014 44.903 45.100 -0.305 0.000 0.652 16 G HN 0.442 nan 8.290 nan 0.000 0.531 17 F N 1.432 121.445 119.950 0.104 0.000 2.539 17 F HA 0.599 5.126 4.527 -0.000 0.000 0.328 17 F C -0.007 176.009 175.800 0.360 0.000 1.148 17 F CA -0.468 57.648 58.000 0.194 0.000 0.940 17 F CB 2.109 41.096 39.000 -0.023 0.000 1.194 17 F HN 0.286 nan 8.300 nan 0.000 0.438 18 D N 1.236 121.953 120.400 0.528 0.000 2.825 18 D HA 0.222 4.862 4.640 0.000 0.000 0.327 18 D C 0.293 176.778 176.300 0.308 0.000 1.277 18 D CA -0.634 53.594 54.000 0.380 0.000 0.950 18 D CB 0.451 41.394 40.800 0.239 0.000 1.438 18 D HN 0.254 nan 8.370 nan 0.000 0.526 19 I N 0.027 120.716 120.570 0.199 0.000 2.700 19 I HA -0.043 4.127 4.170 0.000 0.000 0.261 19 I C 0.753 177.002 176.117 0.220 0.000 1.219 19 I CA 1.131 62.538 61.300 0.179 0.000 1.463 19 I CB -0.490 37.592 38.000 0.137 0.000 1.092 19 I HN 0.299 nan 8.210 nan 0.000 0.452 20 N N -0.471 118.349 118.700 0.199 0.000 2.299 20 N HA 0.066 4.806 4.740 0.000 0.000 0.187 20 N C 0.351 175.973 175.510 0.187 0.000 1.099 20 N CA 0.210 53.361 53.050 0.168 0.000 0.867 20 N CB -0.055 38.503 38.487 0.118 0.000 0.974 20 N HN 0.248 nan 8.380 nan 0.000 0.477 21 T N 1.600 116.315 114.554 0.268 0.000 2.928 21 T HA -0.069 4.281 4.350 0.000 0.000 0.305 21 T C 0.187 175.062 174.700 0.291 0.000 1.035 21 T CA 0.194 62.472 62.100 0.295 0.000 1.145 21 T CB 0.832 69.999 68.868 0.498 0.000 0.963 21 T HN 0.006 nan 8.240 nan 0.000 0.545 22 D N 2.512 123.007 120.400 0.158 0.000 2.416 22 D HA 0.039 4.679 4.640 0.000 0.000 0.240 22 D C 1.072 177.421 176.300 0.082 0.000 1.250 22 D CA -0.665 53.338 54.000 0.004 0.000 0.967 22 D CB 0.024 40.803 40.800 -0.035 0.000 1.059 22 D HN 0.663 nan 8.370 nan 0.000 0.512 23 Y N 1.624 122.093 120.300 0.282 0.000 2.483 23 Y HA 0.009 4.559 4.550 -0.000 0.000 0.291 23 Y C 1.474 177.512 175.900 0.231 0.000 1.143 23 Y CA 0.578 58.909 58.100 0.385 0.000 1.289 23 Y CB -0.442 38.138 38.460 0.199 0.000 0.983 23 Y HN 0.291 nan 8.280 nan 0.000 0.556 24 E N 0.553 120.635 120.200 -0.196 0.000 2.274 24 E HA -0.062 4.288 4.350 0.000 0.000 0.194 24 E C 1.765 178.381 176.600 0.027 0.000 0.996 24 E CA 1.504 57.861 56.400 -0.071 0.000 0.840 24 E CB 0.115 29.694 29.700 -0.202 0.000 0.772 24 E HN 0.618 nan 8.360 nan 0.000 0.491 25 V N -3.608 116.337 119.914 0.052 0.000 3.548 25 V HA 0.268 4.388 4.120 0.000 0.000 0.279 25 V C 0.413 176.583 176.094 0.126 0.000 1.446 25 V CA -0.419 61.923 62.300 0.070 0.000 1.023 25 V CB 1.361 33.202 31.823 0.030 0.000 0.820 25 V HN -0.054 nan 8.190 nan 0.000 0.438 26 S N 0.437 116.266 115.700 0.214 0.000 2.594 26 S HA 0.760 5.230 4.470 0.000 0.000 0.296 26 S C -0.551 174.314 174.600 0.442 0.000 1.124 26 S CA -0.034 58.336 58.200 0.283 0.000 1.011 26 S CB 1.758 65.091 63.200 0.221 0.000 1.016 26 S HN 0.563 nan 8.310 nan 0.000 0.485 27 T N 5.976 120.713 114.554 0.305 0.000 2.916 27 T HA 0.531 4.881 4.350 0.000 0.000 0.298 27 T C -2.917 171.559 174.700 -0.373 0.000 1.031 27 T CA -1.078 61.017 62.100 -0.008 0.000 0.993 27 T CB 1.743 70.647 68.868 0.060 0.000 1.045 27 T HN 0.343 nan 8.240 nan 0.000 0.454 28 P HA 0.173 nan 4.420 nan 0.000 0.268 28 P C -0.662 176.368 177.300 -0.450 0.000 1.204 28 P CA -0.244 62.149 63.100 -1.178 0.000 0.768 28 P CB 0.405 31.322 31.700 -1.305 0.000 0.842 29 D N 1.742 121.996 120.400 -0.242 0.000 2.479 29 D HA 0.067 4.707 4.640 0.000 0.000 0.218 29 D C 1.029 177.261 176.300 -0.113 0.000 1.131 29 D CA -0.081 53.845 54.000 -0.123 0.000 0.916 29 D CB 0.135 40.907 40.800 -0.047 0.000 1.022 29 D HN 0.280 nan 8.370 nan 0.000 0.515 30 T N -0.036 114.449 114.554 -0.115 0.000 3.044 30 T HA 0.194 4.544 4.350 0.000 0.000 0.255 30 T C 1.668 176.331 174.700 -0.062 0.000 1.073 30 T CA 0.685 62.734 62.100 -0.085 0.000 1.125 30 T CB -0.016 68.812 68.868 -0.066 0.000 0.908 30 T HN 0.446 nan 8.240 nan 0.000 0.480 31 G N 0.795 109.559 108.800 -0.060 0.000 2.162 31 G HA2 -0.222 3.738 3.960 0.000 0.000 0.260 31 G HA3 -0.222 3.738 3.960 0.000 0.000 0.260 31 G C 0.073 174.940 174.900 -0.056 0.000 0.976 31 G CA 0.174 45.242 45.100 -0.053 0.000 0.655 31 G HN 0.774 nan 8.290 nan 0.000 0.533 32 V N 0.975 120.854 119.914 -0.058 0.000 2.481 32 V HA 0.676 4.796 4.120 0.000 0.000 0.286 32 V C 0.515 176.560 176.094 -0.081 0.000 1.042 32 V CA 0.008 62.271 62.300 -0.061 0.000 0.928 32 V CB 1.791 33.587 31.823 -0.045 0.000 0.986 32 V HN 0.251 nan 8.190 nan 0.000 0.462 33 T N 4.603 119.098 114.554 -0.098 0.000 2.779 33 T HA 0.399 4.749 4.350 0.000 0.000 0.280 33 T C -0.570 174.042 174.700 -0.147 0.000 0.987 33 T CA -0.539 61.480 62.100 -0.135 0.000 0.966 33 T CB 1.272 70.056 68.868 -0.139 0.000 0.933 33 T HN 0.524 nan 8.240 nan 0.000 0.442 34 Q N 2.187 121.884 119.800 -0.171 0.000 2.314 34 Q HA 0.538 4.878 4.340 0.000 0.000 0.259 34 Q C -0.637 175.192 176.000 -0.286 0.000 0.951 34 Q CA -0.312 55.370 55.803 -0.202 0.000 0.909 34 Q CB 1.828 30.516 28.738 -0.084 0.000 1.236 34 Q HN 0.591 nan 8.270 nan 0.000 0.444 35 S N 2.505 117.958 115.700 -0.411 0.000 2.503 35 S HA 0.756 5.226 4.470 0.000 0.000 0.301 35 S C -1.040 173.219 174.600 -0.568 0.000 1.087 35 S CA -0.496 57.490 58.200 -0.357 0.000 1.042 35 S CB 0.891 63.957 63.200 -0.223 0.000 1.043 35 S HN 0.384 nan 8.310 nan 0.000 0.489 36 Y N -0.076 120.149 120.300 -0.124 0.000 2.581 36 Y HA 0.632 5.182 4.550 0.000 0.000 0.345 36 Y C -0.496 175.363 175.900 -0.069 0.000 1.036 36 Y CA -1.029 57.043 58.100 -0.046 0.000 1.042 36 Y CB 1.503 39.957 38.460 -0.011 0.000 1.289 36 Y HN 0.345 nan 8.280 nan 0.000 0.471 37 V N 2.866 122.913 119.914 0.222 0.000 2.540 37 V HA 0.420 4.540 4.120 0.000 0.000 0.302 37 V C -1.238 175.115 176.094 0.431 0.000 1.035 37 V CA -0.881 61.530 62.300 0.186 0.000 0.873 37 V CB 1.467 33.370 31.823 0.134 0.000 0.992 37 V HN 0.441 nan 8.190 nan 0.000 0.428 38 F N 3.450 123.476 119.950 0.126 0.000 2.375 38 F HA 0.461 4.988 4.527 -0.000 0.000 0.361 38 F C 0.365 176.216 175.800 0.085 0.000 1.117 38 F CA -1.652 56.412 58.000 0.107 0.000 1.037 38 F CB 1.242 40.299 39.000 0.094 0.000 1.192 38 F HN 0.459 nan 8.300 nan 0.000 0.452 39 N N 4.887 123.730 118.700 0.239 0.000 2.462 39 N HA 0.284 5.024 4.740 0.000 0.000 0.242 39 N C -1.065 174.504 175.510 0.099 0.000 1.010 39 N CA -0.172 52.964 53.050 0.143 0.000 0.939 39 N CB 0.573 39.126 38.487 0.110 0.000 1.127 39 N HN 0.555 nan 8.380 nan 0.000 0.509 40 L N 2.981 124.255 121.223 0.085 0.000 2.281 40 L HA 0.360 4.700 4.340 0.000 0.000 0.285 40 L C 0.643 177.527 176.870 0.024 0.000 1.074 40 L CA -0.368 54.499 54.840 0.045 0.000 0.817 40 L CB 0.928 43.010 42.059 0.039 0.000 1.168 40 L HN 0.576 nan 8.230 nan 0.000 0.434 41 T N -0.589 113.971 114.554 0.009 0.000 2.916 41 T HA 0.446 4.796 4.350 0.000 0.000 0.292 41 T C -0.692 174.003 174.700 -0.008 0.000 1.055 41 T CA -0.912 61.192 62.100 0.008 0.000 1.009 41 T CB 2.411 71.291 68.868 0.020 0.000 1.118 41 T HN 0.520 nan 8.240 nan 0.000 0.497 42 E N 1.075 121.279 120.200 0.007 0.000 2.133 42 E HA 0.571 4.921 4.350 0.000 0.000 0.274 42 E C -1.460 175.152 176.600 0.020 0.000 0.930 42 E CA -0.847 55.558 56.400 0.009 0.000 0.770 42 E CB 1.178 30.897 29.700 0.032 0.000 1.104 42 E HN 0.547 nan 8.360 nan 0.000 0.403 43 V N 5.017 124.934 119.914 0.004 0.000 2.444 43 V HA 0.264 4.384 4.120 0.000 0.000 0.294 43 V C -0.570 175.577 176.094 0.087 0.000 1.022 43 V CA -0.983 61.345 62.300 0.048 0.000 0.850 43 V CB 1.702 33.543 31.823 0.030 0.000 0.992 43 V HN 0.721 nan 8.190 nan 0.000 0.426 44 D N 3.865 124.330 120.400 0.108 0.000 2.225 44 D HA 0.309 4.949 4.640 0.000 0.000 0.249 44 D C 0.304 176.696 176.300 0.153 0.000 1.052 44 D CA -0.170 53.900 54.000 0.116 0.000 0.909 44 D CB 0.818 41.670 40.800 0.087 0.000 1.186 44 D HN 0.588 nan 8.370 nan 0.000 0.431 45 N N 0.907 119.698 118.700 0.152 0.000 2.696 45 N HA -0.241 4.499 4.740 0.000 0.000 0.256 45 N C -1.015 174.610 175.510 0.192 0.000 1.031 45 N CA 0.355 53.488 53.050 0.139 0.000 0.730 45 N CB -1.239 37.298 38.487 0.083 0.000 0.894 45 N HN 0.536 nan 8.380 nan 0.000 0.544 46 W N 1.488 122.812 121.300 0.041 0.000 2.361 46 W HA 0.505 5.165 4.660 -0.000 0.000 0.309 46 W C 0.463 177.014 176.519 0.053 0.000 1.122 46 W CA -1.111 56.264 57.345 0.050 0.000 1.208 46 W CB 0.536 30.038 29.460 0.069 0.000 1.246 46 W HN 0.197 nan 8.180 nan 0.000 0.490 47 M N 7.132 126.445 119.600 -0.479 0.000 2.194 47 M HA 0.376 4.856 4.480 0.000 0.000 0.347 47 M C 0.301 175.970 176.300 -1.052 0.000 1.439 47 M CA 0.352 55.329 55.300 -0.537 0.000 1.131 47 M CB -0.063 32.309 32.600 -0.380 0.000 1.733 47 M HN 0.489 nan 8.290 nan 0.000 0.467 48 G N 5.481 113.904 108.800 -0.629 0.000 2.557 48 G HA2 0.499 4.459 3.960 0.000 0.000 0.292 48 G HA3 0.499 4.459 3.960 0.000 0.000 0.292 48 G C -2.021 172.683 174.900 -0.327 0.000 1.237 48 G CA -1.119 43.642 45.100 -0.565 0.000 0.978 48 G HN 0.655 nan 8.290 nan 0.000 0.498 49 P HA -0.018 nan 4.420 nan 0.000 0.226 49 P C 0.534 177.755 177.300 -0.131 0.000 1.153 49 P CA 1.069 64.057 63.100 -0.187 0.000 0.777 49 P CB 0.250 31.839 31.700 -0.186 0.000 0.794 50 D N -1.670 118.695 120.400 -0.059 0.000 2.368 50 D HA 0.156 4.796 4.640 0.000 0.000 0.218 50 D C 1.384 177.675 176.300 -0.016 0.000 1.112 50 D CA 0.151 54.144 54.000 -0.012 0.000 0.834 50 D CB -0.514 40.335 40.800 0.081 0.000 0.953 50 D HN 0.208 nan 8.370 nan 0.000 0.505 51 G N -0.551 108.214 108.800 -0.059 0.000 2.213 51 G HA2 -0.241 3.719 3.960 0.000 0.000 0.236 51 G HA3 -0.241 3.719 3.960 0.000 0.000 0.236 51 G C 0.105 174.942 174.900 -0.104 0.000 0.991 51 G CA 0.119 45.167 45.100 -0.086 0.000 0.629 51 G HN 0.361 nan 8.290 nan 0.000 0.517 52 V N 1.534 121.386 119.914 -0.103 0.000 2.546 52 V HA 0.536 4.656 4.120 0.000 0.000 0.284 52 V C 0.954 176.958 176.094 -0.151 0.000 1.050 52 V CA -0.609 61.557 62.300 -0.224 0.000 0.981 52 V CB 1.817 33.282 31.823 -0.597 0.000 0.990 52 V HN 0.239 nan 8.190 nan 0.000 0.474 53 V N 5.755 125.583 119.914 -0.144 0.000 2.461 53 V HA 0.256 4.376 4.120 0.000 0.000 0.275 53 V C 0.400 176.496 176.094 0.003 0.000 1.047 53 V CA -0.586 61.682 62.300 -0.053 0.000 0.955 53 V CB 0.988 32.784 31.823 -0.045 0.000 0.988 53 V HN 0.792 nan 8.190 nan 0.000 0.471 54 K N 3.393 123.886 120.400 0.155 0.000 2.143 54 K HA 0.249 4.569 4.320 0.000 0.000 0.272 54 K C 1.131 177.833 176.600 0.171 0.000 1.001 54 K CA -0.406 56.001 56.287 0.199 0.000 0.915 54 K CB 1.715 34.426 32.500 0.352 0.000 1.047 54 K HN 0.756 nan 8.250 nan 0.000 0.458 55 E N 2.570 122.840 120.200 0.116 0.000 2.070 55 E HA -0.213 4.137 4.350 0.000 0.000 0.197 55 E C -0.176 176.487 176.600 0.105 0.000 1.004 55 E CA 1.613 58.068 56.400 0.091 0.000 0.805 55 E CB 0.339 30.077 29.700 0.063 0.000 0.744 55 E HN 0.369 nan 8.360 nan 0.000 0.451 56 K N -0.431 120.033 120.400 0.106 0.000 2.557 56 K HA 0.293 4.613 4.320 0.000 0.000 0.257 56 K C -1.407 175.223 176.600 0.051 0.000 0.933 56 K CA -0.538 55.797 56.287 0.080 0.000 0.820 56 K CB 2.087 34.622 32.500 0.059 0.000 1.330 56 K HN 0.040 nan 8.250 nan 0.000 0.432 57 V N -0.031 119.871 119.914 -0.020 0.000 3.102 57 V HA 0.698 4.818 4.120 0.000 0.000 0.312 57 V C -0.943 175.070 176.094 -0.134 0.000 1.135 57 V CA -1.126 61.091 62.300 -0.137 0.000 1.022 57 V CB 2.102 33.665 31.823 -0.434 0.000 1.056 57 V HN 0.822 nan 8.190 nan 0.000 0.436 58 M N 3.100 122.621 119.600 -0.130 0.000 2.106 58 M HA 0.632 5.112 4.480 0.000 0.000 0.288 58 M C -1.398 174.837 176.300 -0.109 0.000 0.941 58 M CA -0.124 55.127 55.300 -0.081 0.000 0.934 58 M CB 1.806 34.398 32.600 -0.013 0.000 1.551 58 M HN 0.564 nan 8.290 nan 0.000 0.437 59 L N 3.741 124.892 121.223 -0.120 0.000 2.333 59 L HA 0.696 5.036 4.340 0.000 0.000 0.269 59 L C -0.566 176.267 176.870 -0.062 0.000 1.010 59 L CA -1.009 53.754 54.840 -0.128 0.000 0.818 59 L CB 2.364 44.310 42.059 -0.188 0.000 1.306 59 L HN 0.640 nan 8.230 nan 0.000 0.430 60 I N 2.792 123.321 120.570 -0.068 0.000 2.325 60 I HA 0.192 4.362 4.170 0.000 0.000 0.291 60 I C -0.068 176.030 176.117 -0.032 0.000 1.019 60 I CA -0.338 60.921 61.300 -0.069 0.000 1.302 60 I CB 0.693 38.563 38.000 -0.217 0.000 1.401 60 I HN 0.693 nan 8.210 nan 0.000 0.485 61 N N 5.015 123.729 118.700 0.023 0.000 2.708 61 N HA -0.205 4.535 4.740 0.000 0.000 0.249 61 N C 0.944 176.485 175.510 0.051 0.000 1.097 61 N CA 1.293 54.376 53.050 0.055 0.000 0.710 61 N CB -1.326 37.207 38.487 0.077 0.000 1.032 61 N HN 1.141 nan 8.380 nan 0.000 0.551 62 G N -1.745 107.078 108.800 0.038 0.000 2.155 62 G HA2 -0.353 3.607 3.960 0.000 0.000 0.257 62 G HA3 -0.353 3.607 3.960 0.000 0.000 0.257 62 G C -0.002 174.955 174.900 0.095 0.000 0.983 62 G CA 0.583 45.720 45.100 0.062 0.000 0.676 62 G HN 0.577 nan 8.290 nan 0.000 0.528 63 N N -0.938 117.798 118.700 0.059 0.000 2.402 63 N HA 0.496 5.236 4.740 0.000 0.000 0.294 63 N C 1.308 176.846 175.510 0.046 0.000 1.203 63 N CA -0.360 52.748 53.050 0.096 0.000 0.838 63 N CB 1.491 40.021 38.487 0.072 0.000 1.306 63 N HN 0.024 nan 8.380 nan 0.000 0.510 64 I N -0.100 120.546 120.570 0.125 0.000 2.335 64 I HA -0.108 4.062 4.170 0.000 0.000 0.251 64 I C 0.288 176.395 176.117 -0.017 0.000 1.129 64 I CA 1.455 62.793 61.300 0.064 0.000 1.402 64 I CB 0.225 38.353 38.000 0.213 0.000 1.069 64 I HN 0.391 nan 8.210 nan 0.000 0.424 65 M N -0.960 118.632 119.600 -0.014 0.000 2.690 65 M HA 0.398 4.878 4.480 0.000 0.000 0.302 65 M C 0.261 176.524 176.300 -0.062 0.000 1.234 65 M CA -0.526 54.741 55.300 -0.054 0.000 0.853 65 M CB 1.804 34.362 32.600 -0.069 0.000 1.748 65 M HN 0.028 nan 8.290 nan 0.000 0.469 66 G N 0.988 109.726 108.800 -0.104 0.000 2.621 66 G HA2 0.458 4.418 3.960 0.000 0.000 0.271 66 G HA3 0.458 4.418 3.960 0.000 0.000 0.271 66 G C -2.861 172.023 174.900 -0.028 0.000 1.236 66 G CA -1.063 43.949 45.100 -0.147 0.000 0.958 66 G HN 0.297 nan 8.290 nan 0.000 0.512 67 P HA 0.022 nan 4.420 nan 0.000 0.266 67 P C -0.396 176.987 177.300 0.138 0.000 1.195 67 P CA -0.214 62.956 63.100 0.117 0.000 0.768 67 P CB 0.375 32.215 31.700 0.233 0.000 0.838 68 N N 2.894 121.665 118.700 0.118 0.000 2.427 68 N HA 0.079 4.819 4.740 0.000 0.000 0.269 68 N C 0.160 175.719 175.510 0.081 0.000 1.235 68 N CA 0.265 53.384 53.050 0.115 0.000 0.934 68 N CB -0.208 38.341 38.487 0.103 0.000 1.121 68 N HN 0.362 nan 8.380 nan 0.000 0.480 69 I N 2.205 122.810 120.570 0.058 0.000 2.496 69 I HA 0.086 4.256 4.170 0.000 0.000 0.285 69 I C 0.020 176.214 176.117 0.128 0.000 1.080 69 I CA -0.256 60.978 61.300 -0.111 0.000 1.404 69 I CB 0.613 38.577 38.000 -0.061 0.000 1.403 69 I HN 0.008 nan 8.210 nan 0.000 0.539 70 V N 5.996 126.048 119.914 0.231 0.000 2.623 70 V HA 0.843 4.963 4.120 0.000 0.000 0.304 70 V C -0.161 176.055 176.094 0.203 0.000 1.054 70 V CA -0.404 62.020 62.300 0.208 0.000 0.882 70 V CB 1.525 33.462 31.823 0.191 0.000 1.002 70 V HN 0.915 nan 8.190 nan 0.000 0.424 71 A N 4.148 127.068 122.820 0.166 0.000 2.588 71 A HA 0.821 5.141 4.320 0.000 0.000 0.290 71 A C -1.278 176.408 177.584 0.169 0.000 1.136 71 A CA -0.805 51.314 52.037 0.138 0.000 0.681 71 A CB 1.611 20.660 19.000 0.081 0.000 1.282 71 A HN 0.625 nan 8.150 nan 0.000 0.421 72 N N -0.025 118.785 118.700 0.183 0.000 2.492 72 N HA 0.263 5.003 4.740 0.000 0.000 0.289 72 N C -0.712 174.961 175.510 0.271 0.000 1.133 72 N CA -0.193 53.026 53.050 0.281 0.000 0.961 72 N CB 0.818 39.520 38.487 0.358 0.000 1.186 72 N HN 0.703 nan 8.380 nan 0.000 0.493 73 W N 1.695 123.002 121.300 0.011 0.000 2.476 73 W HA 0.168 4.828 4.660 0.000 0.000 0.338 73 W C 1.173 177.677 176.519 -0.025 0.000 1.328 73 W CA 1.061 58.368 57.345 -0.063 0.000 1.300 73 W CB -0.853 28.404 29.460 -0.338 0.000 1.252 73 W HN 0.831 nan 8.180 nan 0.000 0.568 74 G N 3.358 112.239 108.800 0.134 0.000 2.213 74 G HA2 -0.280 3.680 3.960 0.000 0.000 0.236 74 G HA3 -0.280 3.680 3.960 0.000 0.000 0.236 74 G C 0.224 175.107 174.900 -0.029 0.000 0.991 74 G CA 0.031 45.080 45.100 -0.084 0.000 0.629 74 G HN 0.541 nan 8.290 nan 0.000 0.517 75 D N 1.060 121.472 120.400 0.021 0.000 2.361 75 D HA 0.498 5.138 4.640 0.000 0.000 0.239 75 D C 0.685 176.946 176.300 -0.066 0.000 1.200 75 D CA 0.753 54.739 54.000 -0.023 0.000 0.915 75 D CB 0.607 41.403 40.800 -0.007 0.000 1.170 75 D HN 0.106 nan 8.370 nan 0.000 0.444 76 T N 0.428 114.904 114.554 -0.130 0.000 2.829 76 T HA 0.432 4.782 4.350 0.000 0.000 0.282 76 T C -0.159 174.319 174.700 -0.369 0.000 0.990 76 T CA -0.627 61.336 62.100 -0.229 0.000 1.028 76 T CB 1.163 69.916 68.868 -0.191 0.000 0.951 76 T HN -0.043 nan 8.240 nan 0.000 0.460 77 V N 3.263 122.754 119.914 -0.706 0.000 2.435 77 V HA 0.509 4.629 4.120 0.000 0.000 0.290 77 V C -0.003 175.543 176.094 -0.913 0.000 1.030 77 V CA -0.663 61.090 62.300 -0.912 0.000 0.881 77 V CB 1.578 32.425 31.823 -1.627 0.000 0.983 77 V HN 0.898 nan 8.190 nan 0.000 0.445 78 E N 3.733 123.610 120.200 -0.538 0.000 2.241 78 E HA 0.673 5.023 4.350 0.000 0.000 0.263 78 E C -1.927 174.508 176.600 -0.275 0.000 0.882 78 E CA -0.447 55.725 56.400 -0.380 0.000 0.769 78 E CB 2.118 31.670 29.700 -0.246 0.000 1.185 78 E HN 0.442 nan 8.360 nan 0.000 0.415 79 V N 3.874 123.638 119.914 -0.250 0.000 2.483 79 V HA 0.322 4.442 4.120 0.000 0.000 0.297 79 V C -0.314 175.746 176.094 -0.058 0.000 1.027 79 V CA -0.778 61.377 62.300 -0.241 0.000 0.855 79 V CB 1.950 33.462 31.823 -0.518 0.000 0.995 79 V HN 0.766 nan 8.190 nan 0.000 0.424 80 T N 4.781 119.300 114.554 -0.059 0.000 2.729 80 T HA 0.409 4.759 4.350 0.000 0.000 0.296 80 T C -0.058 174.672 174.700 0.049 0.000 0.928 80 T CA -0.135 61.975 62.100 0.018 0.000 1.045 80 T CB 1.003 69.879 68.868 0.012 0.000 0.902 80 T HN 0.358 nan 8.240 nan 0.000 0.500 81 V N 6.063 126.056 119.914 0.131 0.000 2.383 81 V HA 0.430 4.550 4.120 0.000 0.000 0.275 81 V C 0.106 176.280 176.094 0.133 0.000 1.036 81 V CA -0.673 61.742 62.300 0.191 0.000 0.889 81 V CB 0.935 32.944 31.823 0.310 0.000 0.985 81 V HN 0.781 nan 8.190 nan 0.000 0.459 82 I N 4.558 125.206 120.570 0.131 0.000 2.382 82 I HA 0.345 4.515 4.170 0.000 0.000 0.285 82 I C -0.015 176.141 176.117 0.065 0.000 1.007 82 I CA -0.452 60.896 61.300 0.079 0.000 1.142 82 I CB 1.499 39.542 38.000 0.072 0.000 1.289 82 I HN 0.483 nan 8.210 nan 0.000 0.453 83 N N 6.097 124.813 118.700 0.026 0.000 2.482 83 N HA 0.138 4.878 4.740 0.000 0.000 0.242 83 N C -0.108 175.391 175.510 -0.019 0.000 1.100 83 N CA 0.059 53.105 53.050 -0.007 0.000 0.946 83 N CB 0.304 38.758 38.487 -0.056 0.000 1.227 83 N HN 0.425 nan 8.380 nan 0.000 0.508 84 N N 3.436 122.136 118.700 -0.000 0.000 2.320 84 N HA 0.132 4.872 4.740 0.000 0.000 0.237 84 N C 0.017 175.525 175.510 -0.004 0.000 1.129 84 N CA -0.102 52.948 53.050 -0.000 0.000 0.854 84 N CB 0.481 38.979 38.487 0.018 0.000 1.083 84 N HN 0.483 nan 8.380 nan 0.000 0.504 85 L N -0.120 121.090 121.223 -0.021 0.000 2.474 85 L HA 0.100 4.439 4.340 0.000 0.000 0.259 85 L C 1.870 178.739 176.870 -0.002 0.000 1.232 85 L CA -0.325 54.508 54.840 -0.011 0.000 0.821 85 L CB 0.606 42.645 42.059 -0.032 0.000 1.108 85 L HN -0.143 nan 8.230 nan 0.000 0.495 86 V N -0.510 119.428 119.914 0.039 0.000 2.379 86 V HA -0.139 3.981 4.120 0.000 0.000 0.243 86 V C 1.907 178.057 176.094 0.092 0.000 1.035 86 V CA 2.151 64.489 62.300 0.064 0.000 1.035 86 V CB -0.388 31.490 31.823 0.091 0.000 0.673 86 V HN 1.094 nan 8.190 nan 0.000 0.457 87 T N -4.144 110.500 114.554 0.150 0.000 3.028 87 T HA 0.161 4.511 4.350 0.000 0.000 0.250 87 T C 0.698 175.547 174.700 0.248 0.000 0.979 87 T CA -0.148 62.106 62.100 0.257 0.000 1.004 87 T CB -0.373 68.730 68.868 0.391 0.000 1.120 87 T HN 0.361 nan 8.240 nan 0.000 0.482 88 N N 1.626 120.407 118.700 0.135 0.000 2.518 88 N HA 0.451 5.191 4.740 0.000 0.000 0.266 88 N C 0.491 175.774 175.510 -0.378 0.000 1.196 88 N CA -0.290 52.732 53.050 -0.047 0.000 0.947 88 N CB 0.881 39.297 38.487 -0.118 0.000 1.098 88 N HN 0.506 nan 8.380 nan 0.000 0.450 89 G N 0.113 108.417 108.800 -0.827 0.000 2.653 89 G HA2 0.287 4.247 3.960 0.000 0.000 0.265 89 G HA3 0.287 4.247 3.960 0.000 0.000 0.265 89 G C -0.271 173.877 174.900 -1.254 0.000 1.237 89 G CA 0.094 44.626 45.100 -0.946 0.000 0.946 89 G HN 0.421 nan 8.290 nan 0.000 0.522 90 T N -1.822 112.311 114.554 -0.702 0.000 2.821 90 T HA 0.621 4.971 4.350 0.000 0.000 0.306 90 T C -1.086 173.510 174.700 -0.172 0.000 1.313 90 T CA 0.056 61.933 62.100 -0.370 0.000 1.012 90 T CB 1.445 70.206 68.868 -0.178 0.000 1.298 90 T HN 1.479 nan 8.240 nan 0.000 0.502 91 S N 2.501 118.189 115.700 -0.020 0.000 2.605 91 S HA 0.550 5.020 4.470 0.000 0.000 0.279 91 S C -1.461 173.138 174.600 -0.003 0.000 1.166 91 S CA -0.937 57.303 58.200 0.066 0.000 0.975 91 S CB 0.697 63.934 63.200 0.061 0.000 1.111 91 S HN 0.591 nan 8.310 nan 0.000 0.465 92 I N 4.162 124.637 120.570 -0.158 0.000 2.315 92 I HA 0.365 4.535 4.170 0.000 0.000 0.291 92 I C 0.245 175.767 176.117 -0.992 0.000 1.006 92 I CA -0.180 60.740 61.300 -0.633 0.000 1.265 92 I CB 0.489 37.950 38.000 -0.899 0.000 1.387 92 I HN 0.958 nan 8.210 nan 0.000 0.475 93 H N 6.400 124.896 119.070 -0.957 0.000 2.467 93 H HA 0.378 4.934 4.556 0.000 0.000 0.326 93 H C -1.417 173.233 175.328 -1.131 0.000 1.094 93 H CA -0.563 54.951 56.048 -0.891 0.000 1.253 93 H CB 0.767 30.244 29.762 -0.476 0.000 1.439 93 H HN 0.402 nan 8.280 nan 0.000 0.479 94 W N 5.385 126.116 121.300 -0.949 0.000 2.292 94 W HA 0.194 4.854 4.660 0.000 0.000 0.352 94 W C -0.096 175.778 176.519 -1.074 0.000 0.962 94 W CA -0.864 55.970 57.345 -0.852 0.000 1.496 94 W CB -0.277 28.654 29.460 -0.881 0.000 1.381 94 W HN 0.677 nan 8.180 nan 0.000 0.363 95 H N 1.791 120.225 119.070 -1.060 0.000 2.899 95 H HA 0.398 4.954 4.556 -0.000 0.000 0.303 95 H C 1.383 176.469 175.328 -0.403 0.000 1.042 95 H CA 1.333 56.878 56.048 -0.838 0.000 1.479 95 H CB 0.496 29.615 29.762 -1.071 0.000 1.493 95 H HN 0.775 nan 8.280 nan 0.000 0.534 96 G N 4.670 113.372 108.800 -0.164 0.000 2.213 96 G HA2 -0.234 3.726 3.960 0.000 0.000 0.226 96 G HA3 -0.234 3.726 3.960 0.000 0.000 0.226 96 G C 0.021 174.799 174.900 -0.203 0.000 0.992 96 G CA 0.120 45.175 45.100 -0.076 0.000 0.632 96 G HN 0.488 nan 8.290 nan 0.000 0.511 100 K N 2.432 122.860 120.400 0.048 0.000 2.395 100 K HA -0.008 4.312 4.320 0.000 0.000 0.283 100 K C 0.177 176.843 176.600 0.110 0.000 1.068 100 K CA 0.887 57.203 56.287 0.048 0.000 1.039 100 K CB 0.010 32.522 32.500 0.019 0.000 0.924 100 K HN 0.235 nan 8.250 nan 0.000 0.468 101 D N 2.379 122.871 120.400 0.154 0.000 2.983 101 D HA -0.185 4.455 4.640 0.000 0.000 0.225 101 D C -0.398 175.993 176.300 0.151 0.000 1.174 101 D CA 1.713 55.799 54.000 0.145 0.000 0.831 101 D CB -1.396 39.462 40.800 0.096 0.000 1.104 101 D HN 0.735 nan 8.370 nan 0.000 0.421 102 T N -3.231 111.447 114.554 0.207 0.000 3.415 102 T HA 0.145 4.495 4.350 0.000 0.000 0.282 102 T C 0.993 175.878 174.700 0.308 0.000 1.007 102 T CA -0.172 62.072 62.100 0.239 0.000 0.958 102 T CB 0.275 69.250 68.868 0.179 0.000 1.171 102 T HN 0.159 nan 8.240 nan 0.000 0.500 103 N N 0.772 119.607 118.700 0.224 0.000 2.133 103 N HA -0.147 4.593 4.740 0.000 0.000 0.193 103 N C 1.131 176.676 175.510 0.058 0.000 1.012 103 N CA 1.165 54.224 53.050 0.016 0.000 0.871 103 N CB -0.136 38.142 38.487 -0.349 0.000 1.011 103 N HN 0.342 nan 8.380 nan 0.000 0.435 104 L N 0.476 121.758 121.223 0.098 0.000 2.622 104 L HA -0.035 4.305 4.340 0.000 0.000 0.233 104 L C 1.302 178.212 176.870 0.066 0.000 1.156 104 L CA 0.994 55.867 54.840 0.056 0.000 0.866 104 L CB -0.482 41.572 42.059 -0.008 0.000 0.980 104 L HN 0.294 nan 8.230 nan 0.000 0.448 105 H N -2.441 116.787 119.070 0.264 0.000 2.520 105 H HA 0.086 4.642 4.556 -0.000 0.000 0.284 105 H C 0.860 176.542 175.328 0.590 0.000 1.037 105 H CA 0.092 56.415 56.048 0.458 0.000 1.168 105 H CB 0.480 30.497 29.762 0.424 0.000 1.497 105 H HN 0.263 nan 8.280 nan 0.000 0.547 106 D N 0.420 121.126 120.400 0.510 0.000 2.312 106 D HA -0.036 4.604 4.640 0.000 0.000 0.211 106 D C 1.799 178.384 176.300 0.475 0.000 0.964 106 D CA 1.022 55.331 54.000 0.515 0.000 0.877 106 D CB 0.098 41.180 40.800 0.470 0.000 0.924 106 D HN 0.531 nan 8.370 nan 0.000 0.515 107 G N -0.498 108.557 108.800 0.426 0.000 2.143 107 G HA2 -0.217 3.743 3.960 0.000 0.000 0.248 107 G HA3 -0.217 3.743 3.960 0.000 0.000 0.248 107 G C 0.371 175.372 174.900 0.169 0.000 0.991 107 G CA 0.321 45.600 45.100 0.298 0.000 0.689 107 G HN 0.679 nan 8.290 nan 0.000 0.522 108 A N 1.066 123.949 122.820 0.105 0.000 2.666 108 A HA 0.560 4.880 4.320 0.000 0.000 0.312 108 A C 0.834 178.384 177.584 -0.058 0.000 1.471 108 A CA 0.099 52.080 52.037 -0.094 0.000 1.134 108 A CB -0.481 18.402 19.000 -0.195 0.000 1.129 108 A HN 0.904 nan 8.150 nan 0.000 0.539 109 N N 1.675 120.362 118.700 -0.023 0.000 2.412 109 N HA 0.250 4.990 4.740 0.000 0.000 0.254 109 N C 0.990 176.550 175.510 0.084 0.000 1.232 109 N CA 0.346 53.394 53.050 -0.002 0.000 0.880 109 N CB 0.550 38.973 38.487 -0.106 0.000 1.076 109 N HN 0.990 nan 8.380 nan 0.000 0.458 110 G N 0.133 109.001 108.800 0.113 0.000 2.205 110 G HA2 -0.302 3.658 3.960 0.000 0.000 0.261 110 G HA3 -0.302 3.658 3.960 0.000 0.000 0.261 110 G C 0.441 175.361 174.900 0.034 0.000 0.980 110 G CA 0.506 45.669 45.100 0.106 0.000 0.632 110 G HN 0.524 nan 8.290 nan 0.000 0.533 111 V N 0.031 119.943 119.914 -0.002 0.000 3.097 111 V HA 0.210 4.330 4.120 0.000 0.000 0.223 111 V C 2.456 178.547 176.094 -0.006 0.000 1.199 111 V CA 2.426 64.692 62.300 -0.058 0.000 1.260 111 V CB 0.046 31.769 31.823 -0.165 0.000 1.155 111 V HN 0.737 nan 8.190 nan 0.000 0.509 112 T N -0.773 113.789 114.554 0.013 0.000 3.040 112 T HA 0.303 4.653 4.350 0.000 0.000 0.250 112 T C 0.250 175.097 174.700 0.246 0.000 1.058 112 T CA 0.344 62.476 62.100 0.054 0.000 0.988 112 T CB -0.108 68.769 68.868 0.016 0.000 0.993 112 T HN 0.754 nan 8.240 nan 0.000 0.519 113 E N -0.913 119.428 120.200 0.235 0.000 2.396 113 E HA 0.482 4.832 4.350 0.000 0.000 0.280 113 E C -1.532 175.031 176.600 -0.062 0.000 1.065 113 E CA -1.208 55.271 56.400 0.131 0.000 0.831 113 E CB 0.412 30.141 29.700 0.048 0.000 1.272 113 E HN 0.067 nan 8.360 nan 0.000 0.443 114 c N 1.646 120.084 118.600 -0.269 0.000 2.520 114 c HA 0.490 5.060 4.570 0.000 0.000 0.376 114 c C -2.067 171.756 174.090 -0.444 0.000 1.268 114 c CA -0.945 55.179 56.329 -0.342 0.000 2.414 114 c CB -0.207 42.134 42.510 -0.283 0.000 2.521 114 c HN 0.615 nan 8.230 nan 0.000 0.618 115 P HA 0.181 nan 4.420 nan 0.000 0.269 115 P C -0.595 176.410 177.300 -0.491 0.000 1.209 115 P CA 0.142 62.756 63.100 -0.811 0.000 0.776 115 P CB 0.175 30.964 31.700 -1.517 0.000 0.876 116 I N 4.584 124.988 120.570 -0.276 0.000 2.587 116 I HA 0.086 4.256 4.170 0.000 0.000 0.284 116 I C -1.665 174.421 176.117 -0.050 0.000 1.134 116 I CA -1.771 59.464 61.300 -0.109 0.000 1.410 116 I CB 0.106 38.065 38.000 -0.070 0.000 1.392 116 I HN 0.197 nan 8.210 nan 0.000 0.545 117 P HA 0.179 nan 4.420 nan 0.000 0.272 117 P C -2.530 174.666 177.300 -0.175 0.000 1.230 117 P CA -1.356 61.772 63.100 0.047 0.000 0.788 117 P CB -0.013 31.699 31.700 0.020 0.000 0.949 118 P HA 0.081 nan 4.420 nan 0.000 0.289 118 P C -0.331 176.852 177.300 -0.195 0.000 1.299 118 P CA -0.187 62.756 63.100 -0.262 0.000 0.766 118 P CB 0.242 31.773 31.700 -0.281 0.000 1.226 119 K N -1.669 118.671 120.400 -0.100 0.000 3.129 119 K HA -0.172 4.148 4.320 0.000 0.000 0.273 119 K C 0.805 177.387 176.600 -0.030 0.000 1.123 119 K CA 0.699 56.958 56.287 -0.045 0.000 0.800 119 K CB -2.388 30.095 32.500 -0.029 0.000 1.238 119 K HN 0.980 nan 8.250 nan 0.000 0.492 120 G N -1.481 107.301 108.800 -0.031 0.000 2.205 120 G HA2 -0.139 3.821 3.960 0.000 0.000 0.180 120 G HA3 -0.139 3.821 3.960 0.000 0.000 0.180 120 G C 0.379 175.273 174.900 -0.010 0.000 1.004 120 G CA -0.220 44.874 45.100 -0.010 0.000 0.670 120 G HN 0.701 nan 8.290 nan 0.000 0.496 121 G N 0.086 108.870 108.800 -0.026 0.000 2.559 121 G HA2 0.536 4.496 3.960 0.000 0.000 0.235 121 G HA3 0.536 4.496 3.960 0.000 0.000 0.235 121 G C 0.093 174.991 174.900 -0.004 0.000 1.266 121 G CA 1.047 46.138 45.100 -0.015 0.000 0.847 121 G HN 1.298 nan 8.290 nan 0.000 0.583 122 Q N -0.020 119.778 119.800 -0.004 0.000 2.418 122 Q HA 0.722 5.062 4.340 0.000 0.000 0.282 122 Q C -1.179 174.806 176.000 -0.025 0.000 1.044 122 Q CA -1.237 54.568 55.803 0.002 0.000 0.813 122 Q CB 2.377 31.122 28.738 0.012 0.000 1.428 122 Q HN 0.541 nan 8.270 nan 0.000 0.402 123 R N 1.029 121.509 120.500 -0.032 0.000 2.604 123 R HA 0.440 4.780 4.340 0.000 0.000 0.270 123 R C -1.639 174.603 176.300 -0.096 0.000 1.052 123 R CA -0.319 55.712 56.100 -0.116 0.000 0.902 123 R CB 2.761 32.918 30.300 -0.238 0.000 1.233 123 R HN 0.885 nan 8.270 nan 0.000 0.455 124 T N 3.905 118.393 114.554 -0.110 0.000 2.758 124 T HA 0.421 4.771 4.350 0.000 0.000 0.285 124 T C -0.955 173.737 174.700 -0.013 0.000 0.981 124 T CA -0.201 61.886 62.100 -0.022 0.000 0.965 124 T CB 0.269 69.133 68.868 -0.007 0.000 0.927 124 T HN 0.262 nan 8.240 nan 0.000 0.448 125 Y N 2.171 122.553 120.300 0.138 0.000 2.310 125 Y HA 0.596 5.146 4.550 -0.000 0.000 0.326 125 Y C 0.769 176.693 175.900 0.041 0.000 1.151 125 Y CA -0.837 57.448 58.100 0.309 0.000 1.195 125 Y CB 1.129 39.824 38.460 0.393 0.000 1.210 125 Y HN 0.430 nan 8.280 nan 0.000 0.483 126 R N 4.612 125.200 120.500 0.148 0.000 2.574 126 R HA 0.460 4.800 4.340 0.000 0.000 0.288 126 R C -1.994 174.120 176.300 -0.311 0.000 1.004 126 R CA -0.612 55.326 56.100 -0.271 0.000 0.895 126 R CB 1.408 31.570 30.300 -0.229 0.000 1.191 126 R HN 0.872 nan 8.270 nan 0.000 0.444 127 W N 2.677 123.782 121.300 -0.324 0.000 3.213 127 W HA 0.476 5.137 4.660 0.000 0.000 0.318 127 W C -1.590 174.824 176.519 -0.175 0.000 1.248 127 W CA -1.183 56.004 57.345 -0.263 0.000 1.187 127 W CB 0.689 29.991 29.460 -0.263 0.000 1.403 127 W HN 0.453 nan 8.180 nan 0.000 0.556 128 R N 1.938 122.568 120.500 0.217 0.000 2.297 128 R HA 0.546 4.886 4.340 0.000 0.000 0.308 128 R C -0.113 176.374 176.300 0.313 0.000 1.029 128 R CA -0.108 56.079 56.100 0.145 0.000 0.929 128 R CB 1.267 31.624 30.300 0.095 0.000 1.046 128 R HN 0.548 nan 8.270 nan 0.000 0.461 129 A N 5.537 128.509 122.820 0.253 0.000 2.915 129 A HA 0.192 4.512 4.320 0.000 0.000 0.292 129 A C 0.187 177.967 177.584 0.327 0.000 1.632 129 A CA -0.277 51.964 52.037 0.341 0.000 1.337 129 A CB -0.264 18.906 19.000 0.283 0.000 1.111 129 A HN 0.900 nan 8.150 nan 0.000 0.569 130 R N 0.446 121.114 120.500 0.280 0.000 2.334 130 R HA 0.121 4.461 4.340 0.000 0.000 0.220 130 R C 0.198 176.679 176.300 0.300 0.000 0.917 130 R CA 0.269 56.567 56.100 0.331 0.000 1.073 130 R CB 0.290 30.726 30.300 0.227 0.000 1.056 130 R HN 0.799 nan 8.270 nan 0.000 0.506 131 Q N 0.336 120.190 119.800 0.090 0.000 2.315 131 Q HA 0.241 4.581 4.340 0.000 0.000 0.273 131 Q C -1.702 174.072 176.000 -0.376 0.000 1.053 131 Q CA -0.994 54.621 55.803 -0.313 0.000 0.817 131 Q CB 1.662 30.209 28.738 -0.318 0.000 1.326 131 Q HN 0.133 nan 8.270 nan 0.000 0.423 132 Y N 0.950 120.846 120.300 -0.673 0.000 2.457 132 Y HA 0.982 5.532 4.550 0.000 0.000 0.333 132 Y C 0.505 176.149 175.900 -0.427 0.000 1.119 132 Y CA -0.029 57.748 58.100 -0.540 0.000 1.143 132 Y CB 1.631 39.612 38.460 -0.798 0.000 1.230 132 Y HN 0.776 nan 8.280 nan 0.000 0.469 133 G N 0.479 109.195 108.800 -0.140 0.000 2.260 133 G HA2 0.248 4.208 3.960 0.000 0.000 0.250 133 G HA3 0.248 4.208 3.960 0.000 0.000 0.250 133 G C -1.456 173.402 174.900 -0.070 0.000 1.340 133 G CA -0.623 44.394 45.100 -0.137 0.000 1.056 133 G HN 0.746 nan 8.290 nan 0.000 0.471 134 T N 1.127 115.635 114.554 -0.077 0.000 2.786 134 T HA 0.797 5.147 4.350 0.000 0.000 0.283 134 T C -0.114 174.572 174.700 -0.024 0.000 0.992 134 T CA 0.163 62.242 62.100 -0.034 0.000 0.954 134 T CB 1.428 70.267 68.868 -0.049 0.000 0.934 134 T HN 0.763 nan 8.240 nan 0.000 0.440 135 S N 1.959 117.684 115.700 0.042 0.000 2.911 135 S HA 0.856 5.326 4.470 0.000 0.000 0.319 135 S C -1.562 173.172 174.600 0.225 0.000 1.154 135 S CA -0.968 57.302 58.200 0.116 0.000 0.857 135 S CB 1.511 64.745 63.200 0.057 0.000 1.279 135 S HN 0.818 nan 8.310 nan 0.000 0.593 136 W N 0.472 121.702 121.300 -0.115 0.000 3.005 136 W HA 0.675 5.335 4.660 -0.000 0.000 0.343 136 W C -2.489 173.975 176.519 -0.092 0.000 1.243 136 W CA -1.230 56.012 57.345 -0.171 0.000 1.186 136 W CB -0.088 29.184 29.460 -0.313 0.000 1.453 136 W HN 0.762 nan 8.180 nan 0.000 0.575 137 Y N -0.064 120.155 120.300 -0.134 0.000 2.576 137 Y HA 0.816 5.366 4.550 -0.000 0.000 0.346 137 Y C -0.860 174.743 175.900 -0.495 0.000 1.018 137 Y CA -1.420 56.359 58.100 -0.536 0.000 1.050 137 Y CB 1.682 39.921 38.460 -0.369 0.000 1.280 137 Y HN 0.739 nan 8.280 nan 0.000 0.474 138 H N -1.809 116.973 119.070 -0.480 0.000 3.037 138 H HA 0.524 5.080 4.556 -0.000 0.000 0.336 138 H C -1.156 174.010 175.328 -0.269 0.000 1.323 138 H CA -1.016 54.795 56.048 -0.395 0.000 1.159 138 H CB 0.954 30.211 29.762 -0.842 0.000 1.882 138 H HN 0.796 nan 8.280 nan 0.000 0.535 139 S N -0.204 115.542 115.700 0.076 0.000 2.568 139 S HA -0.008 4.462 4.470 0.000 0.000 0.282 139 S C 0.066 174.790 174.600 0.205 0.000 1.338 139 S CA -0.203 58.063 58.200 0.111 0.000 1.045 139 S CB 0.073 63.389 63.200 0.193 0.000 0.873 139 S HN 0.806 nan 8.310 nan 0.000 0.516 140 H N 3.051 122.204 119.070 0.139 0.000 2.581 140 H HA 0.245 4.801 4.556 -0.000 0.000 0.275 140 H C -0.801 174.632 175.328 0.176 0.000 1.126 140 H CA -0.425 55.718 56.048 0.159 0.000 1.097 140 H CB -0.192 29.601 29.762 0.052 0.000 1.626 140 H HN 0.597 nan 8.280 nan 0.000 0.565 141 F N 1.958 121.996 119.950 0.147 0.000 2.464 141 F HA 0.189 4.716 4.527 0.000 0.000 0.353 141 F C 0.979 176.907 175.800 0.213 0.000 1.191 141 F CA 0.199 58.236 58.000 0.062 0.000 1.147 141 F CB -0.123 38.797 39.000 -0.133 0.000 1.294 141 F HN 0.077 nan 8.300 nan 0.000 0.583 142 S N 2.672 118.429 115.700 0.095 0.000 3.927 142 S HA -0.335 4.135 4.470 0.000 0.000 0.618 142 S C 0.874 175.588 174.600 0.190 0.000 2.201 142 S CA 1.080 59.364 58.200 0.141 0.000 4.160 142 S CB -1.366 61.904 63.200 0.118 0.000 0.266 142 S HN 1.051 nan 8.310 nan 0.000 0.760 143 A N 0.771 123.699 122.820 0.179 0.000 2.577 143 A HA 0.337 4.657 4.320 0.000 0.000 0.280 143 A C 1.473 179.112 177.584 0.092 0.000 1.331 143 A CA 0.882 52.979 52.037 0.101 0.000 0.935 143 A CB -0.367 18.722 19.000 0.148 0.000 1.082 143 A HN 0.582 nan 8.150 nan 0.000 0.525 144 Q N -0.402 119.527 119.800 0.216 0.000 2.248 144 Q HA -0.258 4.082 4.340 0.000 0.000 0.208 144 Q C 1.576 177.684 176.000 0.181 0.000 0.984 144 Q CA 2.320 58.256 55.803 0.222 0.000 0.875 144 Q CB -0.375 28.548 28.738 0.308 0.000 0.910 144 Q HN 0.986 nan 8.270 nan 0.000 0.433 145 Y N -2.331 118.033 120.300 0.106 0.000 2.421 145 Y HA 0.122 4.672 4.550 -0.000 0.000 0.292 145 Y C 1.794 177.744 175.900 0.083 0.000 1.136 145 Y CA 0.952 59.103 58.100 0.086 0.000 1.255 145 Y CB -0.869 37.641 38.460 0.083 0.000 0.991 145 Y HN 0.010 nan 8.280 nan 0.000 0.552 146 G N 0.684 109.313 108.800 -0.286 0.000 2.559 146 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 146 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 146 G C 1.215 176.136 174.900 0.035 0.000 1.126 146 G CA 0.667 45.665 45.100 -0.170 0.000 0.778 146 G HN 0.408 nan 8.290 nan 0.000 0.543 147 N N 0.185 118.914 118.700 0.048 0.000 2.412 147 N HA 0.143 4.883 4.740 0.000 0.000 0.184 147 N C 1.642 177.149 175.510 -0.004 0.000 1.101 147 N CA 0.957 54.032 53.050 0.041 0.000 0.881 147 N CB 0.630 39.143 38.487 0.043 0.000 0.969 147 N HN 0.418 nan 8.380 nan 0.000 0.459 148 G N -1.053 107.766 108.800 0.033 0.000 2.425 148 G HA2 -0.199 3.761 3.960 0.000 0.000 0.177 148 G HA3 -0.199 3.761 3.960 0.000 0.000 0.177 148 G C -0.212 174.699 174.900 0.019 0.000 0.999 148 G CA -0.282 44.809 45.100 -0.014 0.000 0.723 148 G HN 0.097 nan 8.290 nan 0.000 0.491 149 V N 1.711 121.674 119.914 0.083 0.000 2.149 149 V HA 0.585 4.705 4.120 0.000 0.000 0.245 149 V C 0.328 176.503 176.094 0.135 0.000 1.349 149 V CA 0.216 62.571 62.300 0.093 0.000 1.289 149 V CB 0.471 32.359 31.823 0.108 0.000 1.401 149 V HN 0.712 nan 8.190 nan 0.000 0.501 150 V N 2.670 122.616 119.914 0.052 0.000 3.077 150 V HA 1.009 5.129 4.120 0.000 0.000 0.299 150 V C -0.101 175.796 176.094 -0.328 0.000 1.276 150 V CA 0.504 62.786 62.300 -0.030 0.000 0.993 150 V CB 2.342 34.263 31.823 0.163 0.000 1.076 150 V HN 0.718 nan 8.190 nan 0.000 0.434 151 G N 2.441 110.681 108.800 -0.933 0.000 2.606 151 G HA2 0.723 4.683 3.960 0.000 0.000 0.300 151 G HA3 0.723 4.683 3.960 0.000 0.000 0.300 151 G C -0.627 173.776 174.900 -0.828 0.000 1.360 151 G CA 0.133 44.639 45.100 -0.989 0.000 0.783 151 G HN 1.351 nan 8.290 nan 0.000 0.484 152 T N -2.039 112.329 114.554 -0.311 0.000 2.950 152 T HA 0.795 5.145 4.350 0.000 0.000 0.288 152 T C -0.466 174.344 174.700 0.183 0.000 1.035 152 T CA -0.679 61.400 62.100 -0.034 0.000 1.028 152 T CB 1.730 70.591 68.868 -0.013 0.000 1.109 152 T HN 0.493 nan 8.240 nan 0.000 0.514 153 I N 1.152 121.842 120.570 0.200 0.000 2.533 153 I HA 0.405 4.575 4.170 0.000 0.000 0.290 153 I C -0.550 175.659 176.117 0.154 0.000 1.056 153 I CA -0.740 60.708 61.300 0.247 0.000 1.057 153 I CB 2.295 40.478 38.000 0.306 0.000 1.240 153 I HN 0.697 nan 8.210 nan 0.000 0.423 154 Q N 6.820 126.709 119.800 0.149 0.000 2.347 154 Q HA 0.457 4.797 4.340 0.000 0.000 0.265 154 Q C -1.635 174.442 176.000 0.128 0.000 1.024 154 Q CA -0.641 55.228 55.803 0.110 0.000 0.731 154 Q CB 1.417 30.213 28.738 0.098 0.000 1.245 154 Q HN 0.487 nan 8.270 nan 0.000 0.472 155 I N 3.924 124.558 120.570 0.106 0.000 2.306 155 I HA 0.282 4.452 4.170 0.000 0.000 0.288 155 I C -0.042 176.112 176.117 0.061 0.000 1.036 155 I CA -0.580 60.788 61.300 0.114 0.000 1.221 155 I CB 0.661 38.733 38.000 0.121 0.000 1.385 155 I HN 0.637 nan 8.210 nan 0.000 0.472 156 N N 4.417 123.166 118.700 0.083 0.000 2.482 156 N HA 0.611 5.351 4.740 0.000 0.000 0.260 156 N C 0.449 175.696 175.510 -0.439 0.000 1.236 156 N CA 0.179 53.236 53.050 0.011 0.000 0.938 156 N CB 2.027 40.660 38.487 0.243 0.000 1.128 156 N HN 0.866 nan 8.380 nan 0.000 0.448 157 G N 0.335 108.607 108.800 -0.881 0.000 2.428 157 G HA2 0.293 4.253 3.960 0.000 0.000 0.304 157 G HA3 0.293 4.253 3.960 0.000 0.000 0.304 157 G C -3.168 171.086 174.900 -1.078 0.000 1.303 157 G CA -0.593 43.383 45.100 -1.873 0.000 0.825 157 G HN 0.313 nan 8.290 nan 0.000 0.484 158 P HA 0.557 nan 4.420 nan 0.000 0.275 158 P C -0.444 176.786 177.300 -0.117 0.000 1.266 158 P CA 0.140 63.090 63.100 -0.251 0.000 0.793 158 P CB 1.708 33.325 31.700 -0.138 0.000 1.074 159 A N -0.040 122.825 122.820 0.075 0.000 2.566 159 A HA 0.496 4.816 4.320 0.000 0.000 0.292 159 A C 0.723 178.392 177.584 0.141 0.000 1.112 159 A CA -0.199 51.933 52.037 0.158 0.000 0.707 159 A CB 0.679 19.875 19.000 0.326 0.000 1.302 159 A HN 0.470 nan 8.150 nan 0.000 0.409 160 S N -0.428 115.353 115.700 0.135 0.000 2.593 160 S HA 0.426 4.896 4.470 0.000 0.000 0.217 160 S C -0.002 174.664 174.600 0.110 0.000 0.966 160 S CA 0.353 58.620 58.200 0.111 0.000 0.914 160 S CB -0.478 62.779 63.200 0.095 0.000 0.776 160 S HN 0.761 nan 8.310 nan 0.000 0.523 161 L N 1.689 123.000 121.223 0.146 0.000 2.466 161 L HA 0.605 4.945 4.340 0.000 0.000 0.258 161 L C -2.720 174.252 176.870 0.171 0.000 0.973 161 L CA -1.919 53.005 54.840 0.140 0.000 0.826 161 L CB 2.093 44.235 42.059 0.139 0.000 1.372 161 L HN -0.165 nan 8.230 nan 0.000 0.409 162 P HA 0.293 nan 4.420 nan 0.000 0.271 162 P C -1.834 175.527 177.300 0.101 0.000 1.218 162 P CA 0.242 63.345 63.100 0.005 0.000 0.780 162 P CB 0.446 32.141 31.700 -0.009 0.000 0.901 163 Y N -1.468 118.835 120.300 0.005 0.000 2.624 163 Y HA 0.431 4.981 4.550 0.000 0.000 0.334 163 Y C 0.199 176.074 175.900 -0.041 0.000 1.155 163 Y CA -0.944 57.145 58.100 -0.019 0.000 1.046 163 Y CB 0.167 38.622 38.460 -0.008 0.000 1.316 163 Y HN 0.126 nan 8.280 nan 0.000 0.457 164 D N 1.270 121.709 120.400 0.065 0.000 2.259 164 D HA 0.201 4.841 4.640 0.000 0.000 0.216 164 D C 0.037 176.347 176.300 0.017 0.000 0.961 164 D CA 1.318 55.295 54.000 -0.039 0.000 0.878 164 D CB 1.114 41.853 40.800 -0.102 0.000 1.009 164 D HN 0.482 nan 8.370 nan 0.000 0.490 165 I N 1.107 121.714 120.570 0.061 0.000 2.533 165 I HA 0.123 4.293 4.170 0.000 0.000 0.290 165 I C -0.812 175.391 176.117 0.144 0.000 1.056 165 I CA -0.815 60.513 61.300 0.046 0.000 1.057 165 I CB 2.780 40.712 38.000 -0.113 0.000 1.240 165 I HN -0.311 nan 8.210 nan 0.000 0.423 166 D N 6.544 127.038 120.400 0.157 0.000 2.396 166 D HA 0.278 4.918 4.640 0.000 0.000 0.225 166 D C 0.755 177.072 176.300 0.029 0.000 1.121 166 D CA -0.121 53.925 54.000 0.076 0.000 0.853 166 D CB 1.272 42.168 40.800 0.160 0.000 1.043 166 D HN 0.456 nan 8.370 nan 0.000 0.500 167 L N 3.030 124.243 121.223 -0.016 0.000 2.376 167 L HA 0.122 4.463 4.340 0.000 0.000 0.219 167 L C 1.668 178.509 176.870 -0.047 0.000 1.133 167 L CA 0.611 55.423 54.840 -0.048 0.000 0.816 167 L CB -0.721 41.265 42.059 -0.122 0.000 0.933 167 L HN 0.677 nan 8.230 nan 0.000 0.449 168 G N -0.009 108.774 108.800 -0.029 0.000 2.542 168 G HA2 -0.263 3.697 3.960 0.000 0.000 0.235 168 G HA3 -0.263 3.697 3.960 0.000 0.000 0.235 168 G C -0.167 174.735 174.900 0.004 0.000 1.286 168 G CA -0.239 44.862 45.100 0.001 0.000 0.904 168 G HN 0.259 nan 8.290 nan 0.000 0.577 169 V N -2.882 117.052 119.914 0.033 0.000 2.732 169 V HA 0.764 4.884 4.120 0.000 0.000 0.297 169 V C 0.158 176.334 176.094 0.137 0.000 1.060 169 V CA -0.124 62.206 62.300 0.050 0.000 1.038 169 V CB 1.539 33.375 31.823 0.023 0.000 1.003 169 V HN 1.564 nan 8.190 nan 0.000 0.481 170 F N 5.898 125.776 119.950 -0.120 0.000 2.872 170 F HA 0.561 5.088 4.527 -0.000 0.000 0.365 170 F C -2.626 173.076 175.800 -0.163 0.000 1.296 170 F CA -2.668 55.241 58.000 -0.152 0.000 1.199 170 F CB 1.588 40.485 39.000 -0.173 0.000 1.687 170 F HN 0.479 nan 8.300 nan 0.000 0.604 171 P HA 0.327 nan 4.420 nan 0.000 0.281 171 P C -0.489 176.579 177.300 -0.387 0.000 1.252 171 P CA 0.130 63.054 63.100 -0.294 0.000 0.778 171 P CB 1.705 33.256 31.700 -0.248 0.000 0.895 172 I N 2.158 122.524 120.570 -0.340 0.000 2.433 172 I HA 0.461 4.631 4.170 0.000 0.000 0.292 172 I C 0.440 176.458 176.117 -0.166 0.000 1.001 172 I CA -0.341 60.741 61.300 -0.364 0.000 1.119 172 I CB 2.255 39.978 38.000 -0.462 0.000 1.289 172 I HN 0.266 nan 8.210 nan 0.000 0.438 173 T N 3.494 117.971 114.554 -0.130 0.000 2.956 173 T HA 0.295 4.645 4.350 0.000 0.000 0.312 173 T C -1.274 173.527 174.700 0.168 0.000 1.151 173 T CA -0.786 61.362 62.100 0.080 0.000 1.024 173 T CB 1.155 70.021 68.868 -0.003 0.000 1.140 173 T HN 0.688 nan 8.240 nan 0.000 0.473 174 D N 2.143 122.712 120.400 0.282 0.000 2.378 174 D HA 0.236 4.876 4.640 0.000 0.000 0.238 174 D C -0.802 175.525 176.300 0.045 0.000 1.180 174 D CA 0.096 54.171 54.000 0.125 0.000 0.895 174 D CB 0.239 41.060 40.800 0.035 0.000 1.192 174 D HN 0.439 nan 8.370 nan 0.000 0.438 175 Y N 0.402 120.481 120.300 -0.369 0.000 2.386 175 Y HA 0.410 4.960 4.550 0.000 0.000 0.334 175 Y C -1.916 173.665 175.900 -0.532 0.000 1.002 175 Y CA -1.257 56.684 58.100 -0.264 0.000 1.068 175 Y CB 1.101 39.486 38.460 -0.124 0.000 1.203 175 Y HN 0.352 nan 8.280 nan 0.000 0.443 176 Y N 4.976 125.036 120.300 -0.399 0.000 2.446 176 Y HA 0.320 4.870 4.550 -0.000 0.000 0.345 176 Y C -0.145 175.436 175.900 -0.530 0.000 0.984 176 Y CA -0.896 56.933 58.100 -0.453 0.000 1.058 176 Y CB 1.004 39.376 38.460 -0.147 0.000 1.220 176 Y HN 0.582 nan 8.280 nan 0.000 0.455 177 Y N -0.471 119.733 120.300 -0.161 0.000 2.337 177 Y HA 0.077 4.627 4.550 0.000 0.000 0.293 177 Y C 1.087 176.957 175.900 -0.049 0.000 1.123 177 Y CA 0.135 58.147 58.100 -0.146 0.000 1.201 177 Y CB -0.091 38.315 38.460 -0.090 0.000 1.011 177 Y HN 0.267 nan 8.280 nan 0.000 0.545 178 R N 1.111 121.673 120.500 0.104 0.000 2.543 178 R HA 0.398 4.738 4.340 0.000 0.000 0.277 178 R C 0.314 176.633 176.300 0.032 0.000 1.074 178 R CA -0.055 56.066 56.100 0.036 0.000 1.076 178 R CB 0.445 30.716 30.300 -0.049 0.000 0.993 178 R HN 0.138 nan 8.270 nan 0.000 0.459 179 A N 1.719 124.555 122.820 0.027 0.000 2.366 179 A HA 0.376 4.696 4.320 0.000 0.000 0.249 179 A C 1.349 178.950 177.584 0.028 0.000 1.084 179 A CA 0.411 52.471 52.037 0.039 0.000 0.794 179 A CB 0.296 19.318 19.000 0.037 0.000 1.034 179 A HN 0.838 nan 8.150 nan 0.000 0.491 180 A N 0.393 123.253 122.820 0.067 0.000 1.892 180 A HA -0.188 4.132 4.320 0.000 0.000 0.218 180 A C 1.605 179.248 177.584 0.098 0.000 1.188 180 A CA 2.124 54.228 52.037 0.112 0.000 0.631 180 A CB -0.656 18.422 19.000 0.130 0.000 0.822 180 A HN 0.845 nan 8.150 nan 0.000 0.447 181 D N -0.209 120.242 120.400 0.085 0.000 2.178 181 D HA -0.113 4.527 4.640 0.000 0.000 0.202 181 D C 1.027 177.361 176.300 0.057 0.000 0.974 181 D CA 1.308 55.358 54.000 0.083 0.000 0.841 181 D CB -0.283 40.553 40.800 0.060 0.000 0.953 181 D HN 0.415 nan 8.370 nan 0.000 0.478 182 D N 0.498 120.909 120.400 0.019 0.000 2.183 182 D HA -0.036 4.604 4.640 0.000 0.000 0.203 182 D C 2.376 178.677 176.300 0.001 0.000 0.969 182 D CA 0.236 54.250 54.000 0.023 0.000 0.842 182 D CB -0.056 40.739 40.800 -0.009 0.000 0.957 182 D HN 0.252 nan 8.370 nan 0.000 0.484 183 L N 0.274 121.417 121.223 -0.134 0.000 2.109 183 L HA -0.100 4.240 4.340 0.000 0.000 0.207 183 L C 2.519 179.150 176.870 -0.398 0.000 1.086 183 L CA 0.387 54.989 54.840 -0.397 0.000 0.760 183 L CB -0.256 41.333 42.059 -0.784 0.000 0.910 183 L HN -0.097 nan 8.230 nan 0.000 0.437 184 V N -0.376 119.457 119.914 -0.135 0.000 2.255 184 V HA -0.358 3.762 4.120 0.000 0.000 0.247 184 V C 2.509 178.638 176.094 0.058 0.000 1.051 184 V CA 2.275 64.596 62.300 0.035 0.000 1.018 184 V CB -0.665 31.265 31.823 0.177 0.000 0.641 184 V HN 0.523 nan 8.190 nan 0.000 0.445 185 H N -0.572 118.507 119.070 0.016 0.000 2.319 185 H HA -0.260 4.296 4.556 0.000 0.000 0.299 185 H C 1.942 177.292 175.328 0.037 0.000 1.092 185 H CA 2.491 58.559 56.048 0.034 0.000 1.302 185 H CB -0.363 29.423 29.762 0.040 0.000 1.373 185 H HN 0.388 nan 8.280 nan 0.000 0.497 186 F N 1.054 120.920 119.950 -0.140 0.000 2.102 186 F HA -0.171 4.356 4.527 0.001 0.000 0.298 186 F C 2.614 178.309 175.800 -0.175 0.000 1.105 186 F CA 2.143 60.032 58.000 -0.186 0.000 1.239 186 F CB -0.912 37.984 39.000 -0.172 0.000 0.991 186 F HN 0.346 nan 8.300 nan 0.000 0.474 187 T N -2.066 112.363 114.554 -0.209 0.000 3.035 187 T HA -0.135 4.215 4.350 0.000 0.000 0.268 187 T C 1.682 176.401 174.700 0.032 0.000 1.109 187 T CA 1.047 63.034 62.100 -0.188 0.000 1.119 187 T CB -0.553 68.173 68.868 -0.237 0.000 0.900 187 T HN 0.481 nan 8.240 nan 0.000 0.503 188 Q N 1.019 120.804 119.800 -0.026 0.000 2.234 188 Q HA -0.015 4.325 4.340 0.000 0.000 0.206 188 Q C 1.322 177.287 176.000 -0.057 0.000 0.980 188 Q CA 1.030 56.841 55.803 0.014 0.000 0.869 188 Q CB -0.028 28.670 28.738 -0.067 0.000 0.912 188 Q HN 0.582 nan 8.270 nan 0.000 0.436 189 N N -0.503 118.089 118.700 -0.179 0.000 2.118 189 N HA 0.141 4.881 4.740 0.000 0.000 0.226 189 N C -0.777 174.603 175.510 -0.215 0.000 1.305 189 N CA 0.094 52.957 53.050 -0.311 0.000 0.890 189 N CB 0.893 39.184 38.487 -0.326 0.000 1.118 189 N HN 0.130 nan 8.380 nan 0.000 0.511 190 N N 0.271 118.902 118.700 -0.115 0.000 2.277 190 N HA 0.348 5.088 4.740 0.000 0.000 0.286 190 N C -0.837 174.621 175.510 -0.086 0.000 1.140 190 N CA -0.421 52.498 53.050 -0.218 0.000 0.799 190 N CB 2.524 40.343 38.487 -1.113 0.000 1.596 190 N HN -0.072 nan 8.380 nan 0.000 0.473 191 A N 1.729 124.524 122.820 -0.042 0.000 2.483 191 A HA 0.322 4.642 4.320 0.000 0.000 0.238 191 A C -2.053 175.553 177.584 0.036 0.000 1.070 191 A CA -0.444 51.541 52.037 -0.086 0.000 0.770 191 A CB -0.578 18.392 19.000 -0.050 0.000 1.008 191 A HN 0.383 nan 8.150 nan 0.000 0.497 192 P HA 0.333 nan 4.420 nan 0.000 0.274 192 P C -2.511 174.940 177.300 0.252 0.000 1.231 192 P CA -1.150 62.047 63.100 0.162 0.000 0.790 192 P CB -0.102 31.746 31.700 0.247 0.000 0.951 193 P HA 0.239 nan 4.420 nan 0.000 0.276 193 P C -0.316 177.233 177.300 0.416 0.000 1.252 193 P CA -0.309 62.929 63.100 0.230 0.000 0.802 193 P CB 0.426 32.178 31.700 0.086 0.000 1.035 194 F N 0.353 120.346 119.950 0.072 0.000 2.496 194 F HA 0.051 4.578 4.527 -0.000 0.000 0.344 194 F C 1.716 177.547 175.800 0.052 0.000 1.155 194 F CA -0.570 57.438 58.000 0.013 0.000 1.302 194 F CB -0.258 38.689 39.000 -0.088 0.000 1.159 194 F HN 0.269 nan 8.300 nan 0.000 0.595 195 S N 1.028 116.753 115.700 0.041 0.000 2.585 195 S HA 0.096 4.566 4.470 0.000 0.000 0.273 195 S C 0.692 175.127 174.600 -0.274 0.000 1.339 195 S CA -0.723 57.232 58.200 -0.408 0.000 1.028 195 S CB 0.881 63.747 63.200 -0.557 0.000 0.906 195 S HN 0.555 nan 8.310 nan 0.000 0.528 196 D N 0.842 120.964 120.400 -0.462 0.000 2.183 196 D HA 0.048 4.688 4.640 0.000 0.000 0.203 196 D C 0.504 176.663 176.300 -0.235 0.000 0.969 196 D CA 1.117 54.862 54.000 -0.426 0.000 0.842 196 D CB -0.099 40.055 40.800 -1.078 0.000 0.957 196 D HN 0.520 nan 8.370 nan 0.000 0.484 197 N N -1.171 117.419 118.700 -0.183 0.000 3.106 197 N HA 0.222 4.962 4.740 0.000 0.000 0.253 197 N C -1.929 173.583 175.510 0.003 0.000 1.506 197 N CA -0.511 52.534 53.050 -0.008 0.000 0.876 197 N CB 2.099 40.661 38.487 0.124 0.000 1.452 197 N HN -0.344 nan 8.380 nan 0.000 0.542 198 V N 1.889 121.801 119.914 -0.003 0.000 2.482 198 V HA 0.479 4.599 4.120 0.000 0.000 0.295 198 V C -0.229 175.787 176.094 -0.131 0.000 1.026 198 V CA -0.669 61.601 62.300 -0.050 0.000 0.856 198 V CB 1.491 33.252 31.823 -0.104 0.000 1.001 198 V HN 0.445 nan 8.190 nan 0.000 0.424 199 L N 5.781 126.906 121.223 -0.163 0.000 2.326 199 L HA 0.582 4.922 4.340 0.000 0.000 0.278 199 L C -0.532 176.171 176.870 -0.278 0.000 1.092 199 L CA -0.298 54.406 54.840 -0.226 0.000 0.810 199 L CB 1.327 43.227 42.059 -0.266 0.000 1.153 199 L HN 0.479 nan 8.230 nan 0.000 0.439 200 I N 3.444 123.840 120.570 -0.290 0.000 2.389 200 I HA 0.205 4.375 4.170 0.000 0.000 0.288 200 I C 0.269 176.105 176.117 -0.468 0.000 0.999 200 I CA -0.496 60.533 61.300 -0.452 0.000 1.129 200 I CB 1.374 39.133 38.000 -0.401 0.000 1.288 200 I HN 0.679 nan 8.210 nan 0.000 0.444 201 N N 5.185 123.544 118.700 -0.568 0.000 2.716 201 N HA -0.221 4.519 4.740 0.000 0.000 0.250 201 N C 0.773 176.167 175.510 -0.193 0.000 1.033 201 N CA 1.390 54.233 53.050 -0.345 0.000 0.727 201 N CB -0.676 37.659 38.487 -0.254 0.000 0.950 201 N HN 1.126 nan 8.380 nan 0.000 0.541 202 G N -2.782 105.902 108.800 -0.193 0.000 2.175 202 G HA2 -0.221 3.739 3.960 0.000 0.000 0.244 202 G HA3 -0.221 3.739 3.960 0.000 0.000 0.244 202 G C 0.243 175.054 174.900 -0.148 0.000 0.982 202 G CA 0.814 45.833 45.100 -0.135 0.000 0.641 202 G HN 1.030 nan 8.290 nan 0.000 0.527 203 T N -0.825 113.629 114.554 -0.166 0.000 2.883 203 T HA 0.925 5.275 4.350 0.000 0.000 0.301 203 T C -0.659 173.947 174.700 -0.157 0.000 1.158 203 T CA 0.826 62.835 62.100 -0.152 0.000 1.007 203 T CB 1.581 70.389 68.868 -0.100 0.000 1.186 203 T HN 1.937 nan 8.240 nan 0.000 0.499 204 A N 1.685 124.408 122.820 -0.161 0.000 2.601 204 A HA 0.705 5.025 4.320 0.000 0.000 0.291 204 A C -1.539 175.923 177.584 -0.205 0.000 1.075 204 A CA -0.582 51.357 52.037 -0.163 0.000 0.671 204 A CB 1.015 19.937 19.000 -0.129 0.000 1.277 204 A HN 0.767 nan 8.150 nan 0.000 0.417 205 V N 2.029 121.766 119.914 -0.296 0.000 2.539 205 V HA 0.318 4.438 4.120 0.000 0.000 0.292 205 V C 0.537 176.557 176.094 -0.124 0.000 1.045 205 V CA -0.917 61.208 62.300 -0.292 0.000 0.945 205 V CB 1.635 33.134 31.823 -0.540 0.000 0.993 205 V HN 0.829 nan 8.190 nan 0.000 0.464 206 N N 6.322 124.986 118.700 -0.060 0.000 2.452 206 N HA 0.122 4.862 4.740 0.000 0.000 0.266 206 N C -1.434 174.084 175.510 0.012 0.000 1.175 206 N CA -1.323 51.736 53.050 0.015 0.000 0.945 206 N CB 1.857 40.363 38.487 0.031 0.000 1.063 206 N HN 0.377 nan 8.380 nan 0.000 0.472 207 P HA -0.083 nan 4.420 nan 0.000 0.222 207 P C 0.316 177.643 177.300 0.044 0.000 1.147 207 P CA 1.082 64.207 63.100 0.042 0.000 0.790 207 P CB 0.589 32.319 31.700 0.050 0.000 0.780 208 N N -0.577 118.150 118.700 0.045 0.000 2.349 208 N HA -0.029 4.711 4.740 0.000 0.000 0.180 208 N C 1.786 177.311 175.510 0.024 0.000 1.024 208 N CA 1.930 55.002 53.050 0.037 0.000 0.869 208 N CB -0.625 37.887 38.487 0.041 0.000 1.022 208 N HN 0.274 nan 8.380 nan 0.000 0.433 209 T N -3.189 111.374 114.554 0.016 0.000 3.037 209 T HA 0.287 4.637 4.350 0.000 0.000 0.251 209 T C 1.438 176.139 174.700 0.002 0.000 1.079 209 T CA 0.770 62.872 62.100 0.004 0.000 1.067 209 T CB 0.409 69.272 68.868 -0.008 0.000 0.948 209 T HN 0.264 nan 8.240 nan 0.000 0.496 210 G N 1.432 110.232 108.800 -0.001 0.000 2.168 210 G HA2 -0.255 3.705 3.960 0.000 0.000 0.263 210 G HA3 -0.255 3.705 3.960 0.000 0.000 0.263 210 G C -0.158 174.722 174.900 -0.034 0.000 0.977 210 G CA 0.314 45.408 45.100 -0.010 0.000 0.659 210 G HN 0.674 nan 8.290 nan 0.000 0.533 211 E N -0.135 120.043 120.200 -0.037 0.000 2.374 211 E HA 0.501 4.851 4.350 0.000 0.000 0.260 211 E C 1.017 177.571 176.600 -0.077 0.000 1.101 211 E CA 0.480 56.850 56.400 -0.050 0.000 0.907 211 E CB 0.815 30.487 29.700 -0.047 0.000 1.014 211 E HN 1.449 nan 8.360 nan 0.000 0.427 212 G N 0.888 109.637 108.800 -0.085 0.000 2.548 212 G HA2 -0.156 3.804 3.960 0.000 0.000 0.208 212 G HA3 -0.156 3.804 3.960 0.000 0.000 0.208 212 G C -1.274 173.550 174.900 -0.126 0.000 1.308 212 G CA -0.255 44.779 45.100 -0.110 0.000 0.924 212 G HN 0.608 nan 8.290 nan 0.000 0.540 213 Q N -1.756 117.953 119.800 -0.153 0.000 2.435 213 Q HA 0.657 4.997 4.340 0.000 0.000 0.282 213 Q C -1.525 174.391 176.000 -0.139 0.000 1.020 213 Q CA -1.177 54.552 55.803 -0.123 0.000 0.820 213 Q CB 1.403 30.120 28.738 -0.034 0.000 1.436 213 Q HN 0.718 nan 8.270 nan 0.000 0.395 214 Y N 0.949 121.281 120.300 0.053 0.000 2.411 214 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 214 Y C 0.835 176.762 175.900 0.045 0.000 1.186 214 Y CA 0.117 58.269 58.100 0.088 0.000 1.381 214 Y CB 0.879 39.452 38.460 0.189 0.000 1.273 214 Y HN 0.766 nan 8.280 nan 0.000 0.546 215 A N 3.052 125.983 122.820 0.186 0.000 2.531 215 A HA 0.115 4.435 4.320 0.000 0.000 0.236 215 A C 0.047 177.705 177.584 0.123 0.000 1.062 215 A CA -0.127 51.976 52.037 0.109 0.000 0.760 215 A CB -0.176 18.865 19.000 0.069 0.000 0.995 215 A HN 0.735 nan 8.150 nan 0.000 0.501 216 N N 1.933 120.646 118.700 0.022 0.000 2.540 216 N HA 0.411 5.151 4.740 0.000 0.000 0.275 216 N C -1.643 173.757 175.510 -0.182 0.000 1.053 216 N CA -0.331 52.687 53.050 -0.054 0.000 0.876 216 N CB 1.499 39.963 38.487 -0.038 0.000 1.284 216 N HN 0.246 nan 8.380 nan 0.000 0.518 217 V N 2.851 122.519 119.914 -0.411 0.000 2.347 217 V HA 0.412 4.532 4.120 0.000 0.000 0.280 217 V C 0.314 176.142 176.094 -0.443 0.000 1.021 217 V CA -0.501 61.413 62.300 -0.645 0.000 0.847 217 V CB 1.289 32.195 31.823 -1.529 0.000 0.990 217 V HN 0.579 nan 8.190 nan 0.000 0.444 218 T N 7.205 121.608 114.554 -0.253 0.000 2.743 218 T HA 0.554 4.904 4.350 0.000 0.000 0.293 218 T C -0.131 174.440 174.700 -0.214 0.000 0.945 218 T CA -0.126 61.903 62.100 -0.120 0.000 1.030 218 T CB 0.391 69.267 68.868 0.014 0.000 0.912 218 T HN 0.333 nan 8.240 nan 0.000 0.483 219 L N 3.020 124.061 121.223 -0.303 0.000 2.322 219 L HA 0.427 4.767 4.340 0.000 0.000 0.279 219 L C 0.621 177.348 176.870 -0.238 0.000 1.036 219 L CA -0.844 53.700 54.840 -0.493 0.000 0.807 219 L CB 1.339 42.909 42.059 -0.815 0.000 1.226 219 L HN 0.536 nan 8.230 nan 0.000 0.433 220 T N 3.262 117.895 114.554 0.132 0.000 2.728 220 T HA 0.263 4.613 4.350 0.000 0.000 0.296 220 T C -2.401 172.332 174.700 0.055 0.000 0.940 220 T CA -1.226 60.932 62.100 0.098 0.000 1.013 220 T CB 0.905 69.840 68.868 0.111 0.000 0.912 220 T HN 0.273 nan 8.240 nan 0.000 0.484 221 P HA 0.187 nan 4.420 nan 0.000 0.265 221 P C 1.124 178.483 177.300 0.098 0.000 1.193 221 P CA 0.787 63.945 63.100 0.096 0.000 0.765 221 P CB 0.322 32.134 31.700 0.187 0.000 0.823 222 G N 1.092 109.965 108.800 0.122 0.000 2.179 222 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 222 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 222 G C 0.190 175.124 174.900 0.056 0.000 0.977 222 G CA 0.034 45.185 45.100 0.086 0.000 0.641 222 G HN 0.484 nan 8.290 nan 0.000 0.533 223 K N 0.249 120.684 120.400 0.059 0.000 2.095 223 K HA 0.600 4.920 4.320 0.000 0.000 0.252 223 K C 0.507 177.075 176.600 -0.054 0.000 0.977 223 K CA -0.711 55.538 56.287 -0.063 0.000 0.900 223 K CB 0.922 33.281 32.500 -0.234 0.000 1.060 223 K HN 0.296 nan 8.250 nan 0.000 0.449 224 R N 1.846 122.269 120.500 -0.128 0.000 2.338 224 R HA 0.299 4.639 4.340 0.000 0.000 0.317 224 R C -0.661 175.580 176.300 -0.099 0.000 0.968 224 R CA -0.684 55.420 56.100 0.007 0.000 0.849 224 R CB 0.752 31.094 30.300 0.070 0.000 1.128 224 R HN 0.545 nan 8.270 nan 0.000 0.448 225 H N 1.078 120.166 119.070 0.029 0.000 2.505 225 H HA 0.279 4.835 4.556 -0.000 0.000 0.338 225 H C -0.353 174.910 175.328 -0.110 0.000 1.057 225 H CA -0.759 55.278 56.048 -0.019 0.000 1.202 225 H CB 1.572 31.301 29.762 -0.056 0.000 1.466 225 H HN 0.252 nan 8.280 nan 0.000 0.499 226 R N 2.983 123.389 120.500 -0.156 0.000 2.254 226 R HA 0.401 4.741 4.340 0.000 0.000 0.318 226 R C -1.293 174.901 176.300 -0.177 0.000 1.031 226 R CA -0.826 55.065 56.100 -0.348 0.000 0.905 226 R CB 0.415 30.187 30.300 -0.880 0.000 1.050 226 R HN 0.469 nan 8.270 nan 0.000 0.456 227 L N 4.504 125.649 121.223 -0.130 0.000 2.341 227 L HA 0.463 4.803 4.340 0.000 0.000 0.278 227 L C -0.817 176.017 176.870 -0.061 0.000 1.005 227 L CA -0.435 54.338 54.840 -0.112 0.000 0.818 227 L CB 1.692 43.677 42.059 -0.124 0.000 1.259 227 L HN 0.629 nan 8.230 nan 0.000 0.418 228 R N 6.236 126.716 120.500 -0.033 0.000 2.278 228 R HA 0.513 4.853 4.340 0.000 0.000 0.322 228 R C -0.934 175.394 176.300 0.047 0.000 1.058 228 R CA -0.334 55.764 56.100 -0.003 0.000 0.991 228 R CB 0.413 30.703 30.300 -0.017 0.000 1.140 228 R HN 0.556 nan 8.270 nan 0.000 0.518 229 I N 4.344 124.958 120.570 0.072 0.000 2.365 229 I HA 0.248 4.418 4.170 0.000 0.000 0.291 229 I C -0.400 175.701 176.117 -0.027 0.000 1.004 229 I CA -0.610 60.753 61.300 0.105 0.000 1.311 229 I CB 0.806 38.921 38.000 0.190 0.000 1.401 229 I HN 0.247 nan 8.210 nan 0.000 0.491 230 L N 5.818 126.968 121.223 -0.121 0.000 2.388 230 L HA 0.465 4.805 4.340 0.000 0.000 0.264 230 L C -0.295 176.371 176.870 -0.340 0.000 0.998 230 L CA -0.552 54.107 54.840 -0.302 0.000 0.817 230 L CB 1.513 43.326 42.059 -0.411 0.000 1.338 230 L HN 0.434 nan 8.230 nan 0.000 0.414 231 N N 0.177 118.597 118.700 -0.467 0.000 2.546 231 N HA 0.248 4.988 4.740 0.000 0.000 0.238 231 N C 0.109 175.136 175.510 -0.804 0.000 0.984 231 N CA -0.295 52.502 53.050 -0.423 0.000 0.935 231 N CB 1.105 39.379 38.487 -0.354 0.000 1.122 231 N HN 0.718 nan 8.380 nan 0.000 0.510 232 T N -0.662 113.455 114.554 -0.730 0.000 3.251 232 T HA 0.264 4.614 4.350 0.000 0.000 0.259 232 T C 0.462 174.954 174.700 -0.348 0.000 0.998 232 T CA -0.451 61.042 62.100 -1.011 0.000 0.905 232 T CB -0.346 68.076 68.868 -0.744 0.000 1.067 232 T HN 0.165 nan 8.240 nan 0.000 0.569 233 S N 2.045 117.593 115.700 -0.253 0.000 2.596 233 S HA 0.265 4.735 4.470 0.000 0.000 0.260 233 S C 1.765 176.367 174.600 0.003 0.000 1.336 233 S CA -0.035 58.122 58.200 -0.071 0.000 0.993 233 S CB 0.984 64.068 63.200 -0.193 0.000 0.923 233 S HN 0.714 nan 8.310 nan 0.000 0.567 234 T N -1.486 113.007 114.554 -0.100 0.000 3.044 234 T HA 0.171 4.521 4.350 0.000 0.000 0.255 234 T C 1.094 175.498 174.700 -0.493 0.000 1.073 234 T CA 0.390 62.243 62.100 -0.411 0.000 1.125 234 T CB 0.080 68.502 68.868 -0.743 0.000 0.908 234 T HN 0.601 nan 8.240 nan 0.000 0.480 235 E N 0.931 120.980 120.200 -0.252 0.000 2.661 235 E HA 0.131 4.481 4.350 0.000 0.000 0.202 235 E C -0.241 176.341 176.600 -0.030 0.000 0.911 235 E CA -0.132 56.157 56.400 -0.186 0.000 1.581 235 E CB 0.165 29.820 29.700 -0.074 0.000 1.667 235 E HN 0.454 nan 8.360 nan 0.000 0.911 236 N N 0.944 119.600 118.700 -0.073 0.000 2.492 236 N HA 0.048 4.788 4.740 0.000 0.000 0.262 236 N C -0.896 174.277 175.510 -0.562 0.000 1.202 236 N CA 0.232 53.186 53.050 -0.160 0.000 0.926 236 N CB 0.325 38.719 38.487 -0.155 0.000 1.078 236 N HN 0.118 nan 8.380 nan 0.000 0.454 237 H N 1.607 120.382 119.070 -0.491 0.000 2.466 237 H HA 0.388 4.944 4.556 0.000 0.000 0.338 237 H C -0.865 174.093 175.328 -0.617 0.000 1.091 237 H CA -0.304 55.376 56.048 -0.613 0.000 1.207 237 H CB 0.534 30.203 29.762 -0.156 0.000 1.466 237 H HN 0.328 nan 8.280 nan 0.000 0.493 238 F N 0.889 120.593 119.950 -0.410 0.000 2.492 238 F HA 0.429 4.956 4.527 0.000 0.000 0.327 238 F C 0.276 175.812 175.800 -0.441 0.000 1.079 238 F CA -0.932 56.768 58.000 -0.500 0.000 0.967 238 F CB 1.414 40.147 39.000 -0.445 0.000 1.169 238 F HN 0.390 nan 8.300 nan 0.000 0.472 239 Q N 1.799 121.514 119.800 -0.142 0.000 2.282 239 Q HA 0.710 5.050 4.340 0.000 0.000 0.260 239 Q C -1.024 174.838 176.000 -0.229 0.000 0.964 239 Q CA -1.117 54.593 55.803 -0.155 0.000 0.880 239 Q CB 2.782 31.499 28.738 -0.035 0.000 1.286 239 Q HN 0.568 nan 8.270 nan 0.000 0.445 240 V N -1.148 118.607 119.914 -0.265 0.000 2.823 240 V HA 0.959 5.079 4.120 0.000 0.000 0.312 240 V C -0.642 175.187 176.094 -0.441 0.000 1.072 240 V CA -0.603 61.437 62.300 -0.433 0.000 0.937 240 V CB 1.863 33.456 31.823 -0.383 0.000 1.013 240 V HN 0.880 nan 8.190 nan 0.000 0.430 241 S N 3.748 119.066 115.700 -0.637 0.000 2.547 241 S HA 0.782 5.252 4.470 0.000 0.000 0.270 241 S C -1.487 172.814 174.600 -0.498 0.000 1.150 241 S CA -0.738 57.211 58.200 -0.418 0.000 0.850 241 S CB 1.722 64.797 63.200 -0.208 0.000 1.118 241 S HN 1.710 nan 8.310 nan 0.000 0.461 242 L N 2.532 123.579 121.223 -0.293 0.000 2.325 242 L HA 0.660 5.000 4.340 0.000 0.000 0.281 242 L C -0.725 176.110 176.870 -0.058 0.000 1.004 242 L CA -0.662 54.047 54.840 -0.218 0.000 0.823 242 L CB 1.611 43.468 42.059 -0.337 0.000 1.236 242 L HN 0.730 nan 8.230 nan 0.000 0.415 243 V N 6.740 126.689 119.914 0.058 0.000 2.617 243 V HA 0.028 4.148 4.120 0.000 0.000 0.304 243 V C 1.242 177.427 176.094 0.151 0.000 1.040 243 V CA 0.855 63.241 62.300 0.145 0.000 1.149 243 V CB -0.113 31.872 31.823 0.271 0.000 0.914 243 V HN 1.058 nan 8.190 nan 0.000 0.487 244 N N 1.497 120.237 118.700 0.067 0.000 2.863 244 N HA -0.184 4.556 4.740 0.000 0.000 0.245 244 N C -0.322 175.048 175.510 -0.234 0.000 1.001 244 N CA 0.776 53.785 53.050 -0.069 0.000 0.901 244 N CB -0.616 37.804 38.487 -0.111 0.000 1.124 244 N HN 0.858 nan 8.380 nan 0.000 0.582 245 H N -0.813 118.143 119.070 -0.190 0.000 2.717 245 H HA 0.378 4.934 4.556 -0.000 0.000 0.366 245 H C 0.108 175.363 175.328 -0.121 0.000 1.132 245 H CA -0.116 55.831 56.048 -0.170 0.000 1.180 245 H CB 1.473 31.108 29.762 -0.212 0.000 1.678 245 H HN 0.079 nan 8.280 nan 0.000 0.537 246 T N -0.123 114.439 114.554 0.013 0.000 2.881 246 T HA 0.617 4.967 4.350 0.000 0.000 0.278 246 T C 0.161 174.859 174.700 -0.003 0.000 0.982 246 T CA -0.941 61.154 62.100 -0.009 0.000 0.989 246 T CB 0.853 69.710 68.868 -0.018 0.000 1.058 246 T HN 0.403 nan 8.240 nan 0.000 0.529 247 M N 1.294 120.880 119.600 -0.024 0.000 2.326 247 M HA 0.356 4.836 4.480 0.000 0.000 0.306 247 M C -0.818 175.468 176.300 -0.023 0.000 1.054 247 M CA -0.631 54.655 55.300 -0.025 0.000 0.922 247 M CB 2.657 35.231 32.600 -0.044 0.000 1.632 247 M HN 0.633 nan 8.290 nan 0.000 0.436 248 T N 2.656 117.206 114.554 -0.006 0.000 2.770 248 T HA 0.392 4.742 4.350 0.000 0.000 0.297 248 T C -0.089 174.613 174.700 0.003 0.000 0.997 248 T CA -0.514 61.587 62.100 0.001 0.000 0.949 248 T CB 0.694 69.574 68.868 0.020 0.000 0.941 248 T HN 0.371 nan 8.240 nan 0.000 0.457 249 V N 5.886 125.797 119.914 -0.005 0.000 2.521 249 V HA 0.176 4.296 4.120 0.000 0.000 0.286 249 V C 1.357 177.482 176.094 0.052 0.000 1.034 249 V CA 0.160 62.473 62.300 0.022 0.000 1.045 249 V CB 0.222 32.049 31.823 0.006 0.000 0.974 249 V HN 0.916 nan 8.190 nan 0.000 0.480 250 I N 1.786 122.391 120.570 0.059 0.000 4.227 250 I HA 0.778 4.948 4.170 0.000 0.000 0.334 250 I C 0.523 176.672 176.117 0.052 0.000 1.341 250 I CA 0.027 61.361 61.300 0.058 0.000 1.123 250 I CB 0.552 38.584 38.000 0.054 0.000 1.097 250 I HN 0.530 nan 8.210 nan 0.000 0.399 251 A N 1.348 124.206 122.820 0.064 0.000 2.594 251 A HA 0.862 5.182 4.320 0.000 0.000 0.296 251 A C -1.311 176.301 177.584 0.047 0.000 1.061 251 A CA -0.139 51.910 52.037 0.020 0.000 0.689 251 A CB 1.251 20.222 19.000 -0.049 0.000 1.280 251 A HN 0.371 nan 8.150 nan 0.000 0.406 252 A N 2.084 124.881 122.820 -0.038 0.000 2.330 252 A HA 0.734 5.054 4.320 0.000 0.000 0.313 252 A C 0.245 177.681 177.584 -0.247 0.000 1.124 252 A CA 0.168 52.087 52.037 -0.197 0.000 0.774 252 A CB 0.159 19.112 19.000 -0.078 0.000 1.198 252 A HN 1.166 nan 8.150 nan 0.000 0.465 253 D N 0.779 120.976 120.400 -0.339 0.000 3.574 253 D HA -0.272 4.368 4.640 0.000 0.000 0.153 253 D C 0.706 176.888 176.300 -0.196 0.000 0.965 253 D CA 2.096 55.957 54.000 -0.232 0.000 1.047 253 D CB -0.519 40.174 40.800 -0.179 0.000 0.492 253 D HN 0.620 nan 8.370 nan 0.000 0.492 254 M N 0.482 119.962 119.600 -0.199 0.000 2.637 254 M HA 0.214 4.694 4.480 0.000 0.000 0.286 254 M C -0.654 175.408 176.300 -0.396 0.000 1.246 254 M CA 0.057 55.189 55.300 -0.281 0.000 0.978 254 M CB 0.626 33.062 32.600 -0.273 0.000 1.417 254 M HN -0.022 nan 8.290 nan 0.000 0.487 255 V N 1.529 121.276 119.914 -0.278 0.000 2.334 255 V HA 0.347 4.467 4.120 0.000 0.000 0.281 255 V C -2.340 173.653 176.094 -0.167 0.000 1.016 255 V CA -1.811 60.353 62.300 -0.227 0.000 0.832 255 V CB 1.001 32.778 31.823 -0.076 0.000 0.999 255 V HN 0.154 nan 8.190 nan 0.000 0.439 256 P HA 0.190 nan 4.420 nan 0.000 0.268 256 P C -0.540 176.770 177.300 0.018 0.000 1.205 256 P CA 0.266 63.329 63.100 -0.063 0.000 0.771 256 P CB 0.784 32.472 31.700 -0.019 0.000 0.858 257 V N 0.159 120.098 119.914 0.042 0.000 3.074 257 V HA 0.565 4.685 4.120 0.000 0.000 0.314 257 V C -0.261 175.873 176.094 0.066 0.000 1.117 257 V CA -1.209 61.127 62.300 0.061 0.000 1.014 257 V CB 2.003 33.868 31.823 0.072 0.000 1.057 257 V HN 0.258 nan 8.190 nan 0.000 0.438 258 N N 1.747 120.485 118.700 0.064 0.000 2.454 258 N HA 0.326 5.066 4.740 0.000 0.000 0.254 258 N C 0.440 175.984 175.510 0.056 0.000 1.228 258 N CA 0.641 53.727 53.050 0.059 0.000 0.900 258 N CB 1.205 39.724 38.487 0.053 0.000 1.089 258 N HN 1.252 nan 8.380 nan 0.000 0.449 259 A N 2.439 125.292 122.820 0.054 0.000 2.584 259 A HA 0.046 4.366 4.320 0.000 0.000 0.239 259 A C 0.415 178.021 177.584 0.037 0.000 1.043 259 A CA 0.516 52.582 52.037 0.048 0.000 0.756 259 A CB -0.173 18.856 19.000 0.048 0.000 0.963 259 A HN 0.749 nan 8.150 nan 0.000 0.511 260 M N 3.537 123.154 119.600 0.029 0.000 2.124 260 M HA 0.247 4.727 4.480 0.000 0.000 0.280 260 M C -0.879 175.421 176.300 -0.000 0.000 0.954 260 M CA -0.143 55.167 55.300 0.017 0.000 0.958 260 M CB 1.540 34.152 32.600 0.020 0.000 1.611 260 M HN 0.677 nan 8.290 nan 0.000 0.449 261 T N 4.435 118.988 114.554 -0.001 0.000 2.817 261 T HA 0.563 4.913 4.350 0.000 0.000 0.293 261 T C -0.261 174.428 174.700 -0.018 0.000 0.964 261 T CA -0.513 61.582 62.100 -0.009 0.000 1.085 261 T CB 0.789 69.655 68.868 -0.003 0.000 0.921 261 T HN 0.579 nan 8.240 nan 0.000 0.502 262 V N 0.260 120.156 119.914 -0.030 0.000 3.130 262 V HA 0.588 4.708 4.120 0.000 0.000 0.310 262 V C -0.274 175.801 176.094 -0.032 0.000 1.158 262 V CA -0.902 61.380 62.300 -0.031 0.000 1.029 262 V CB 2.380 34.176 31.823 -0.045 0.000 1.057 262 V HN 0.554 nan 8.190 nan 0.000 0.436 263 D N 1.129 121.516 120.400 -0.022 0.000 2.301 263 D HA 0.198 4.838 4.640 0.000 0.000 0.206 263 D C 0.840 177.122 176.300 -0.030 0.000 0.979 263 D CA 1.606 55.591 54.000 -0.025 0.000 0.874 263 D CB 0.727 41.516 40.800 -0.018 0.000 0.968 263 D HN 0.945 nan 8.370 nan 0.000 0.510 264 S N -0.921 114.779 115.700 0.000 0.000 2.588 264 S HA 0.671 5.141 4.470 0.000 0.000 0.269 264 S C -1.129 173.449 174.600 -0.037 0.000 1.157 264 S CA -0.973 57.224 58.200 -0.005 0.000 0.824 264 S CB 1.968 65.249 63.200 0.134 0.000 1.126 264 S HN -0.012 nan 8.310 nan 0.000 0.464 265 L N 1.420 122.525 121.223 -0.198 0.000 2.422 265 L HA 0.631 4.971 4.340 0.000 0.000 0.264 265 L C -1.478 175.148 176.870 -0.408 0.000 0.984 265 L CA -0.745 53.904 54.840 -0.318 0.000 0.819 265 L CB 2.152 43.999 42.059 -0.353 0.000 1.330 265 L HN 0.828 nan 8.230 nan 0.000 0.410 266 F N 3.478 123.082 119.950 -0.576 0.000 2.410 266 F HA 0.578 5.105 4.527 0.000 0.000 0.349 266 F C -1.011 174.780 175.800 -0.016 0.000 1.117 266 F CA -0.438 57.352 58.000 -0.350 0.000 1.104 266 F CB 0.854 39.681 39.000 -0.288 0.000 1.122 266 F HN 0.166 nan 8.300 nan 0.000 0.483 267 L N 6.901 127.725 121.223 -0.665 0.000 2.316 267 L HA 0.587 4.927 4.340 0.000 0.000 0.280 267 L C 0.250 176.572 176.870 -0.913 0.000 1.006 267 L CA -0.380 54.158 54.840 -0.502 0.000 0.836 267 L CB 1.102 43.036 42.059 -0.208 0.000 1.221 267 L HN 0.798 nan 8.230 nan 0.000 0.418 268 A N 3.047 125.449 122.820 -0.696 0.000 2.429 268 A HA 0.423 4.743 4.320 0.000 0.000 0.242 268 A C 0.280 177.453 177.584 -0.685 0.000 1.088 268 A CA -0.439 51.262 52.037 -0.559 0.000 0.784 268 A CB 0.236 19.215 19.000 -0.036 0.000 1.038 268 A HN 0.413 nan 8.150 nan 0.000 0.501 269 V N 1.304 120.657 119.914 -0.936 0.000 2.584 269 V HA 0.335 4.455 4.120 0.000 0.000 0.303 269 V C 1.688 177.443 176.094 -0.565 0.000 1.035 269 V CA 1.915 63.802 62.300 -0.689 0.000 1.172 269 V CB -0.323 31.183 31.823 -0.527 0.000 0.896 269 V HN 1.990 nan 8.190 nan 0.000 0.486 270 G N 3.339 111.713 108.800 -0.710 0.000 2.225 270 G HA2 -0.233 3.727 3.960 0.000 0.000 0.254 270 G HA3 -0.233 3.727 3.960 0.000 0.000 0.254 270 G C 0.237 174.827 174.900 -0.516 0.000 0.988 270 G CA 0.240 44.924 45.100 -0.693 0.000 0.625 270 G HN 0.647 nan 8.290 nan 0.000 0.527 271 Q N -0.008 119.528 119.800 -0.440 0.000 2.354 271 Q HA 0.659 4.999 4.340 0.000 0.000 0.244 271 Q C 0.228 175.979 176.000 -0.414 0.000 0.969 271 Q CA 0.042 55.630 55.803 -0.358 0.000 0.885 271 Q CB 0.616 29.169 28.738 -0.307 0.000 1.241 271 Q HN 0.383 nan 8.270 nan 0.000 0.461 272 R N 0.734 120.986 120.500 -0.412 0.000 2.744 272 R HA 0.516 4.856 4.340 0.000 0.000 0.279 272 R C -1.664 174.353 176.300 -0.471 0.000 0.977 272 R CA -0.538 55.359 56.100 -0.339 0.000 0.906 272 R CB 1.296 31.452 30.300 -0.240 0.000 1.197 272 R HN 0.469 nan 8.270 nan 0.000 0.463 273 Y N -0.026 120.224 120.300 -0.083 0.000 2.386 273 Y HA 0.321 4.871 4.550 -0.000 0.000 0.334 273 Y C -0.762 175.109 175.900 -0.049 0.000 1.002 273 Y CA -1.041 57.027 58.100 -0.054 0.000 1.068 273 Y CB 2.100 40.538 38.460 -0.037 0.000 1.203 273 Y HN 0.481 nan 8.280 nan 0.000 0.443 274 D N 2.858 123.321 120.400 0.106 0.000 2.249 274 D HA 0.489 5.129 4.640 0.000 0.000 0.246 274 D C -0.651 175.673 176.300 0.039 0.000 1.114 274 D CA 0.005 54.022 54.000 0.029 0.000 0.854 274 D CB 1.309 42.093 40.800 -0.027 0.000 1.132 274 D HN 0.323 nan 8.370 nan 0.000 0.461 275 V N -0.148 119.768 119.914 0.003 0.000 2.960 275 V HA 0.752 4.872 4.120 0.000 0.000 0.315 275 V C -0.490 175.577 176.094 -0.046 0.000 1.087 275 V CA -0.873 61.422 62.300 -0.007 0.000 0.982 275 V CB 2.042 33.867 31.823 0.004 0.000 1.039 275 V HN 0.168 nan 8.190 nan 0.000 0.437 276 V N 3.715 123.616 119.914 -0.020 0.000 2.417 276 V HA 0.544 4.664 4.120 0.000 0.000 0.291 276 V C -0.209 175.903 176.094 0.029 0.000 1.024 276 V CA -0.308 61.989 62.300 -0.005 0.000 0.861 276 V CB 1.380 33.222 31.823 0.031 0.000 0.985 276 V HN 0.780 nan 8.190 nan 0.000 0.436 277 I N 3.738 124.341 120.570 0.055 0.000 2.362 277 I HA 0.402 4.572 4.170 0.000 0.000 0.289 277 I C -0.805 175.401 176.117 0.149 0.000 0.994 277 I CA -0.584 60.756 61.300 0.067 0.000 1.158 277 I CB 1.859 39.856 38.000 -0.004 0.000 1.315 277 I HN 0.507 nan 8.210 nan 0.000 0.451 278 D N 5.924 126.406 120.400 0.137 0.000 2.295 278 D HA 0.260 4.900 4.640 0.000 0.000 0.248 278 D C 0.374 176.783 176.300 0.182 0.000 1.154 278 D CA -0.140 53.952 54.000 0.153 0.000 0.857 278 D CB 1.906 42.762 40.800 0.094 0.000 1.117 278 D HN 0.562 nan 8.370 nan 0.000 0.468 279 A N 1.969 124.893 122.820 0.172 0.000 3.077 279 A HA 0.172 4.492 4.320 0.000 0.000 0.255 279 A C 1.189 178.941 177.584 0.279 0.000 1.728 279 A CA -0.276 51.825 52.037 0.106 0.000 1.383 279 A CB -0.568 18.298 19.000 -0.223 0.000 1.097 279 A HN 0.399 nan 8.150 nan 0.000 0.634 280 S N -0.464 115.365 115.700 0.214 0.000 2.540 280 S HA 0.214 4.684 4.470 0.000 0.000 0.218 280 S C 0.818 175.446 174.600 0.045 0.000 0.977 280 S CA -0.465 57.801 58.200 0.111 0.000 0.918 280 S CB 0.347 63.567 63.200 0.034 0.000 0.806 280 S HN 0.519 nan 8.310 nan 0.000 0.496 281 R N 1.554 122.079 120.500 0.040 0.000 2.602 281 R HA 0.725 5.065 4.340 0.000 0.000 0.237 281 R C 0.200 176.408 176.300 -0.153 0.000 1.219 281 R CA -0.471 55.538 56.100 -0.152 0.000 1.121 281 R CB -0.315 29.713 30.300 -0.453 0.000 1.408 281 R HN 0.258 nan 8.270 nan 0.000 0.559 282 A N 2.250 124.984 122.820 -0.143 0.000 2.520 282 A HA 0.298 4.618 4.320 0.000 0.000 0.245 282 A C -1.989 175.368 177.584 -0.378 0.000 1.072 282 A CA -0.906 51.038 52.037 -0.155 0.000 0.761 282 A CB -0.616 18.338 19.000 -0.078 0.000 1.004 282 A HN 0.271 nan 8.150 nan 0.000 0.499 283 P HA 0.260 nan 4.420 nan 0.000 0.263 283 P C -0.468 176.636 177.300 -0.326 0.000 1.195 283 P CA 0.615 63.456 63.100 -0.430 0.000 0.762 283 P CB 0.584 32.241 31.700 -0.072 0.000 0.799 284 D N 1.932 122.116 120.400 -0.360 0.000 2.890 284 D HA 0.125 4.765 4.640 0.000 0.000 0.306 284 D C -1.442 174.644 176.300 -0.357 0.000 1.280 284 D CA -0.483 53.279 54.000 -0.396 0.000 0.742 284 D CB 0.706 41.121 40.800 -0.641 0.000 1.266 284 D HN 0.107 nan 8.370 nan 0.000 0.433 285 N N 0.741 119.179 118.700 -0.438 0.000 2.421 285 N HA 0.399 5.139 4.740 0.000 0.000 0.285 285 N C -1.077 174.086 175.510 -0.578 0.000 1.027 285 N CA -0.103 52.763 53.050 -0.307 0.000 0.918 285 N CB 1.056 39.393 38.487 -0.250 0.000 1.152 285 N HN 0.249 nan 8.380 nan 0.000 0.485 286 Y N -0.111 120.138 120.300 -0.085 0.000 2.446 286 Y HA 0.334 4.884 4.550 -0.000 0.000 0.345 286 Y C -0.211 175.654 175.900 -0.059 0.000 0.984 286 Y CA -0.891 57.158 58.100 -0.085 0.000 1.058 286 Y CB 1.315 39.797 38.460 0.035 0.000 1.220 286 Y HN 0.418 nan 8.280 nan 0.000 0.455 287 W N 3.542 124.951 121.300 0.182 0.000 2.266 287 W HA 0.279 4.939 4.660 0.000 0.000 0.317 287 W C -0.514 176.086 176.519 0.136 0.000 1.310 287 W CA -0.469 56.953 57.345 0.127 0.000 1.207 287 W CB 0.477 29.962 29.460 0.043 0.000 1.199 287 W HN 0.397 nan 8.180 nan 0.000 0.544 288 F N 4.934 125.082 119.950 0.329 0.000 2.371 288 F HA 0.337 4.864 4.527 0.000 0.000 0.363 288 F C -0.283 175.605 175.800 0.147 0.000 1.122 288 F CA -0.711 57.358 58.000 0.115 0.000 1.129 288 F CB 0.069 39.172 39.000 0.173 0.000 1.173 288 F HN 0.252 nan 8.300 nan 0.000 0.489 289 N N 4.017 122.591 118.700 -0.209 0.000 2.456 289 N HA 0.471 5.211 4.740 0.000 0.000 0.288 289 N C -1.343 173.975 175.510 -0.319 0.000 1.059 289 N CA -0.581 52.370 53.050 -0.165 0.000 0.946 289 N CB 2.011 40.422 38.487 -0.128 0.000 1.150 289 N HN 0.290 nan 8.380 nan 0.000 0.479 290 V N 1.869 121.654 119.914 -0.215 0.000 2.383 290 V HA 0.499 4.619 4.120 0.000 0.000 0.275 290 V C 0.277 176.197 176.094 -0.291 0.000 1.036 290 V CA -0.335 61.769 62.300 -0.327 0.000 0.889 290 V CB 0.750 32.312 31.823 -0.436 0.000 0.985 290 V HN 0.886 nan 8.190 nan 0.000 0.459 291 T N 1.766 116.119 114.554 -0.335 0.000 2.887 291 T HA 0.782 5.132 4.350 0.000 0.000 0.292 291 T C -1.003 173.448 174.700 -0.414 0.000 1.087 291 T CA -0.651 61.304 62.100 -0.242 0.000 1.009 291 T CB 1.828 70.659 68.868 -0.061 0.000 1.203 291 T HN 0.109 nan 8.240 nan 0.000 0.518 292 F N -0.011 119.969 119.950 0.049 0.000 2.482 292 F HA 0.738 5.265 4.527 -0.000 0.000 0.331 292 F C 0.909 176.752 175.800 0.072 0.000 1.115 292 F CA -0.359 57.676 58.000 0.058 0.000 0.955 292 F CB 2.240 41.221 39.000 -0.031 0.000 1.136 292 F HN 1.071 nan 8.300 nan 0.000 0.452 293 G N -0.007 108.955 108.800 0.269 0.000 3.075 293 G HA2 0.477 4.437 3.960 0.000 0.000 0.253 293 G HA3 0.477 4.437 3.960 0.000 0.000 0.253 293 G C 0.628 175.616 174.900 0.147 0.000 1.353 293 G CA -0.588 44.622 45.100 0.183 0.000 1.051 293 G HN 1.221 nan 8.290 nan 0.000 0.553 294 G N -1.134 107.712 108.800 0.077 0.000 2.187 294 G HA2 -0.190 3.770 3.960 0.000 0.000 0.261 294 G HA3 -0.190 3.770 3.960 0.000 0.000 0.261 294 G C 0.663 175.596 174.900 0.054 0.000 1.000 294 G CA 0.906 46.031 45.100 0.041 0.000 0.718 294 G HN 1.317 nan 8.290 nan 0.000 0.519 295 Q N -3.404 116.439 119.800 0.072 0.000 2.451 295 Q HA -0.216 4.124 4.340 0.000 0.000 0.305 295 Q C 1.504 177.555 176.000 0.085 0.000 1.345 295 Q CA 2.210 58.057 55.803 0.074 0.000 0.854 295 Q CB -2.400 26.371 28.738 0.056 0.000 1.162 295 Q HN 2.458 nan 8.270 nan 0.000 0.440 296 A N -2.212 120.661 122.820 0.088 0.000 3.396 296 A HA -0.287 4.033 4.320 0.000 0.000 0.267 296 A C 1.660 179.288 177.584 0.074 0.000 1.139 296 A CA 2.052 54.140 52.037 0.084 0.000 1.115 296 A CB -1.929 17.197 19.000 0.209 0.000 1.133 296 A HN 1.456 nan 8.150 nan 0.000 0.920 297 A N -0.838 122.013 122.820 0.053 0.000 2.067 297 A HA 0.105 4.425 4.320 0.000 0.000 0.219 297 A C 1.809 179.380 177.584 -0.022 0.000 1.158 297 A CA 2.087 54.143 52.037 0.032 0.000 0.661 297 A CB -1.064 17.945 19.000 0.015 0.000 0.801 297 A HN 2.168 nan 8.150 nan 0.000 0.452 298 c N -3.390 115.183 118.600 -0.045 0.000 2.859 298 c HA 0.661 5.231 4.570 0.000 0.000 0.256 298 c C 0.745 174.823 174.090 -0.021 0.000 1.660 298 c CA -0.495 55.724 56.329 -0.184 0.000 1.755 298 c CB -0.900 41.317 42.510 -0.488 0.000 3.127 298 c HN 1.660 nan 8.230 nan 0.000 0.494 299 G N -0.618 108.168 108.800 -0.023 0.000 2.406 299 G HA2 0.514 4.474 3.960 0.000 0.000 0.680 299 G HA3 0.514 4.474 3.960 0.000 0.000 0.680 299 G C -0.556 173.887 174.900 -0.762 0.000 1.338 299 G CA 0.081 45.080 45.100 -0.168 0.000 0.941 299 G HN 1.862 nan 8.290 nan 0.000 0.633 300 G N -1.373 106.549 108.800 -1.464 0.000 2.660 300 G HA2 0.895 4.855 3.960 0.000 0.000 0.290 300 G HA3 0.895 4.855 3.960 0.000 0.000 0.290 300 G C -0.934 172.792 174.900 -1.957 0.000 1.432 300 G CA 0.810 44.298 45.100 -2.686 0.000 0.807 300 G HN 1.819 nan 8.290 nan 0.000 0.485 301 S N -1.174 113.734 115.700 -1.319 0.000 2.568 301 S HA 0.521 4.991 4.470 0.000 0.000 0.293 301 S C 0.908 175.498 174.600 -0.018 0.000 1.089 301 S CA -0.768 57.207 58.200 -0.374 0.000 0.945 301 S CB 1.508 64.672 63.200 -0.060 0.000 1.077 301 S HN 0.490 nan 8.310 nan 0.000 0.485 302 L N 2.182 123.455 121.223 0.084 0.000 2.478 302 L HA 0.179 4.519 4.340 0.000 0.000 0.223 302 L C 0.913 177.812 176.870 0.048 0.000 1.140 302 L CA 0.200 55.104 54.840 0.107 0.000 0.842 302 L CB -0.304 41.797 42.059 0.070 0.000 0.953 302 L HN 0.536 nan 8.230 nan 0.000 0.452 303 N N 1.546 120.261 118.700 0.024 0.000 2.401 303 N HA 0.065 4.805 4.740 0.000 0.000 0.255 303 N C -1.545 173.955 175.510 -0.018 0.000 1.110 303 N CA -1.842 51.219 53.050 0.018 0.000 0.949 303 N CB 1.233 39.735 38.487 0.025 0.000 1.110 303 N HN -0.071 nan 8.380 nan 0.000 0.490 304 P HA -0.060 nan 4.420 nan 0.000 0.223 304 P C -0.523 176.417 177.300 -0.600 0.000 1.151 304 P CA 1.279 64.196 63.100 -0.305 0.000 0.787 304 P CB 0.287 31.787 31.700 -0.334 0.000 0.788 305 H N -1.092 117.983 119.070 0.009 0.000 2.597 305 H HA 0.312 4.868 4.556 0.000 0.000 0.225 305 H C -2.472 172.818 175.328 -0.063 0.000 1.422 305 H CA -1.979 54.036 56.048 -0.055 0.000 1.335 305 H CB 0.416 30.100 29.762 -0.130 0.000 1.783 305 H HN 0.177 nan 8.280 nan 0.000 0.513 306 P HA 0.355 nan 4.420 nan 0.000 0.268 306 P C -0.344 176.976 177.300 0.034 0.000 1.204 306 P CA 0.019 63.133 63.100 0.023 0.000 0.768 306 P CB 1.322 33.004 31.700 -0.031 0.000 0.842 307 A N 1.634 124.539 122.820 0.141 0.000 2.608 307 A HA 0.784 5.104 4.320 0.000 0.000 0.292 307 A C -1.538 176.329 177.584 0.473 0.000 1.066 307 A CA -0.382 51.808 52.037 0.256 0.000 0.676 307 A CB 1.340 20.357 19.000 0.029 0.000 1.277 307 A HN 0.557 nan 8.150 nan 0.000 0.413 308 A N 0.235 123.409 122.820 0.589 0.000 2.386 308 A HA 0.867 5.187 4.320 0.000 0.000 0.308 308 A C -0.861 177.081 177.584 0.597 0.000 1.128 308 A CA -0.566 51.809 52.037 0.562 0.000 0.789 308 A CB 0.805 20.127 19.000 0.536 0.000 1.325 308 A HN 0.862 nan 8.150 nan 0.000 0.437 309 I N 0.666 121.455 120.570 0.366 0.000 2.354 309 I HA 0.351 4.521 4.170 0.000 0.000 0.292 309 I C -1.341 174.911 176.117 0.225 0.000 0.989 309 I CA -0.145 61.269 61.300 0.189 0.000 1.188 309 I CB 1.197 39.161 38.000 -0.060 0.000 1.342 309 I HN 0.439 nan 8.210 nan 0.000 0.457 310 F N 5.030 125.006 119.950 0.043 0.000 2.388 310 F HA 0.317 4.844 4.527 0.000 0.000 0.358 310 F C 0.380 176.245 175.800 0.109 0.000 1.122 310 F CA -0.440 57.569 58.000 0.015 0.000 1.056 310 F CB 0.604 39.576 39.000 -0.046 0.000 1.155 310 F HN 0.422 nan 8.300 nan 0.000 0.461 311 H N 4.554 123.652 119.070 0.047 0.000 2.511 311 H HA 0.251 4.807 4.556 -0.000 0.000 0.328 311 H C -1.229 174.168 175.328 0.115 0.000 1.044 311 H CA -0.685 55.406 56.048 0.071 0.000 1.212 311 H CB 0.816 30.560 29.762 -0.029 0.000 1.428 311 H HN 0.446 nan 8.280 nan 0.000 0.483 312 Y N 2.611 122.666 120.300 -0.410 0.000 2.402 312 Y HA 0.171 4.721 4.550 -0.000 0.000 0.333 312 Y C 0.798 176.325 175.900 -0.621 0.000 1.076 312 Y CA -0.013 57.887 58.100 -0.333 0.000 1.299 312 Y CB 0.554 38.941 38.460 -0.122 0.000 1.197 312 Y HN 0.680 nan 8.280 nan 0.000 0.517 313 A N 2.889 125.575 122.820 -0.224 0.000 2.546 313 A HA 0.403 4.723 4.320 0.000 0.000 0.243 313 A C 1.425 178.983 177.584 -0.042 0.000 1.063 313 A CA 0.748 52.722 52.037 -0.104 0.000 0.757 313 A CB -0.853 18.141 19.000 -0.010 0.000 0.991 313 A HN 1.501 nan 8.150 nan 0.000 0.503 314 G N 0.814 109.625 108.800 0.019 0.000 2.195 314 G HA2 0.129 4.089 3.960 0.000 0.000 0.246 314 G HA3 0.129 4.089 3.960 0.000 0.000 0.246 314 G C 0.657 175.576 174.900 0.031 0.000 0.984 314 G CA 0.551 45.674 45.100 0.039 0.000 0.633 314 G HN 2.149 nan 8.290 nan 0.000 0.525 315 A N 0.659 123.466 122.820 -0.022 0.000 2.296 315 A HA 0.753 5.073 4.320 0.000 0.000 0.264 315 A C -1.147 176.524 177.584 0.144 0.000 1.097 315 A CA -0.453 51.587 52.037 0.005 0.000 0.811 315 A CB 0.039 18.981 19.000 -0.097 0.000 1.072 315 A HN 0.231 nan 8.150 nan 0.000 0.495 316 P HA 0.296 nan 4.420 nan 0.000 0.271 316 P C 0.583 177.941 177.300 0.098 0.000 1.233 316 P CA 0.276 63.415 63.100 0.065 0.000 0.789 316 P CB 0.385 32.084 31.700 -0.002 0.000 0.951 317 G N -0.803 107.996 108.800 -0.001 0.000 2.509 317 G HA2 0.538 4.498 3.960 0.000 0.000 0.269 317 G HA3 0.538 4.498 3.960 0.000 0.000 0.269 317 G C 0.189 175.034 174.900 -0.091 0.000 1.416 317 G CA -0.161 44.880 45.100 -0.099 0.000 1.052 317 G HN 0.837 nan 8.290 nan 0.000 0.542 318 G N -1.961 106.775 108.800 -0.107 0.000 2.632 318 G HA2 -0.083 3.877 3.960 0.000 0.000 0.224 318 G HA3 -0.083 3.877 3.960 0.000 0.000 0.224 318 G C -0.273 174.532 174.900 -0.157 0.000 1.341 318 G CA -0.172 44.873 45.100 -0.093 0.000 0.880 318 G HN 0.901 nan 8.290 nan 0.000 0.566 319 L N 1.078 122.197 121.223 -0.174 0.000 2.360 319 L HA 0.496 4.836 4.340 0.000 0.000 0.271 319 L C -1.796 174.792 176.870 -0.469 0.000 1.057 319 L CA -1.932 52.699 54.840 -0.349 0.000 0.803 319 L CB 1.379 43.338 42.059 -0.166 0.000 1.207 319 L HN 0.366 nan 8.230 nan 0.000 0.445 320 P HA 0.003 nan 4.420 nan 0.000 0.266 320 P C 0.362 177.396 177.300 -0.442 0.000 1.193 320 P CA 0.028 62.615 63.100 -0.854 0.000 0.770 320 P CB 0.552 31.290 31.700 -1.604 0.000 0.836 321 T N -3.364 111.041 114.554 -0.248 0.000 2.985 321 T HA 0.096 4.446 4.350 0.000 0.000 0.254 321 T C 0.317 175.032 174.700 0.026 0.000 1.021 321 T CA 0.047 62.111 62.100 -0.059 0.000 0.957 321 T CB -0.126 68.696 68.868 -0.077 0.000 1.047 321 T HN 0.237 nan 8.240 nan 0.000 0.511 322 D N 1.711 122.120 120.400 0.014 0.000 2.359 322 D HA 0.242 4.882 4.640 0.000 0.000 0.230 322 D C 0.804 177.255 176.300 0.252 0.000 1.118 322 D CA -0.349 53.710 54.000 0.098 0.000 0.844 322 D CB 1.424 42.269 40.800 0.075 0.000 1.059 322 D HN 0.263 nan 8.370 nan 0.000 0.493 323 E N 2.089 122.408 120.200 0.198 0.000 2.274 323 E HA 0.136 4.486 4.350 0.000 0.000 0.194 323 E C 1.158 177.831 176.600 0.123 0.000 0.996 323 E CA 0.464 56.961 56.400 0.161 0.000 0.840 323 E CB 0.040 29.751 29.700 0.018 0.000 0.772 323 E HN 0.750 nan 8.360 nan 0.000 0.491 324 G N 1.087 109.956 108.800 0.116 0.000 2.796 324 G HA2 -0.239 3.721 3.960 0.000 0.000 0.571 324 G HA3 -0.239 3.721 3.960 0.000 0.000 0.571 324 G C -0.026 174.901 174.900 0.045 0.000 1.370 324 G CA -0.335 44.819 45.100 0.089 0.000 0.856 324 G HN 0.195 nan 8.290 nan 0.000 0.538 325 T N 0.082 114.657 114.554 0.034 0.000 2.902 325 T HA 0.743 5.093 4.350 0.000 0.000 0.283 325 T C -1.797 172.912 174.700 0.016 0.000 1.009 325 T CA -0.780 61.332 62.100 0.021 0.000 1.051 325 T CB 1.866 70.743 68.868 0.015 0.000 0.999 325 T HN 0.786 nan 8.240 nan 0.000 0.474 326 P HA 0.336 nan 4.420 nan 0.000 0.269 326 P C -2.568 174.740 177.300 0.014 0.000 1.209 326 P CA -0.986 62.127 63.100 0.022 0.000 0.776 326 P CB -0.564 31.155 31.700 0.033 0.000 0.876 327 P HA 0.116 nan 4.420 nan 0.000 0.276 327 P C -0.156 177.150 177.300 0.010 0.000 1.261 327 P CA -0.620 62.493 63.100 0.021 0.000 0.800 327 P CB 0.352 32.086 31.700 0.057 0.000 1.066 328 V N 0.947 120.839 119.914 -0.037 0.000 2.928 328 V HA -0.049 4.071 4.120 0.000 0.000 0.307 328 V C 0.289 176.320 176.094 -0.106 0.000 1.105 328 V CA 0.289 62.525 62.300 -0.108 0.000 1.223 328 V CB 0.013 31.713 31.823 -0.204 0.000 0.930 328 V HN 0.540 nan 8.190 nan 0.000 0.499 329 D N 4.435 124.786 120.400 -0.081 0.000 2.339 329 D HA 0.100 4.740 4.640 0.000 0.000 0.256 329 D C 1.007 177.242 176.300 -0.108 0.000 1.214 329 D CA 0.175 54.162 54.000 -0.021 0.000 0.877 329 D CB 0.417 41.215 40.800 -0.003 0.000 1.111 329 D HN 0.730 nan 8.370 nan 0.000 0.478 330 H N 3.201 122.250 119.070 -0.035 0.000 2.555 330 H HA -0.019 4.537 4.556 -0.000 0.000 0.269 330 H C 0.459 175.650 175.328 -0.229 0.000 0.988 330 H CA 0.364 56.341 56.048 -0.119 0.000 1.178 330 H CB 0.544 30.250 29.762 -0.093 0.000 1.373 330 H HN 0.520 nan 8.280 nan 0.000 0.588 331 Q N -1.189 118.568 119.800 -0.072 0.000 2.481 331 Q HA -0.181 4.159 4.340 0.000 0.000 0.272 331 Q C 0.566 176.436 176.000 -0.218 0.000 1.157 331 Q CA 0.839 56.578 55.803 -0.107 0.000 0.935 331 Q CB -2.629 26.054 28.738 -0.091 0.000 1.338 331 Q HN 0.723 nan 8.270 nan 0.000 0.494 332 c N -1.638 116.739 118.600 -0.371 0.000 4.432 332 c HA -0.226 4.344 4.570 0.000 0.000 0.294 332 c C 0.585 174.227 174.090 -0.747 0.000 1.398 332 c CA 0.886 56.892 56.329 -0.539 0.000 1.988 332 c CB -2.181 40.217 42.510 -0.186 0.000 1.251 332 c HN 0.483 nan 8.230 nan 0.000 0.791 333 L N 1.405 122.041 121.223 -0.978 0.000 2.385 333 L HA 0.511 4.851 4.340 0.000 0.000 0.273 333 L C 0.132 176.728 176.870 -0.458 0.000 0.990 333 L CA -0.453 54.076 54.840 -0.518 0.000 0.821 333 L CB 1.331 43.243 42.059 -0.244 0.000 1.279 333 L HN 0.238 nan 8.230 nan 0.000 0.412 334 D N 0.223 120.645 120.400 0.038 0.000 2.339 334 D HA 0.045 4.685 4.640 0.000 0.000 0.245 334 D C 0.148 176.560 176.300 0.187 0.000 1.115 334 D CA -0.351 53.843 54.000 0.324 0.000 0.917 334 D CB 1.303 42.357 40.800 0.423 0.000 1.192 334 D HN 0.306 nan 8.370 nan 0.000 0.428 335 T N 0.558 115.244 114.554 0.219 0.000 2.919 335 T HA 0.176 4.526 4.350 0.000 0.000 0.302 335 T C 0.972 175.754 174.700 0.137 0.000 1.031 335 T CA -0.469 61.717 62.100 0.144 0.000 1.127 335 T CB 0.022 68.962 68.868 0.120 0.000 0.952 335 T HN 0.351 nan 8.240 nan 0.000 0.540 336 L N 3.692 124.968 121.223 0.087 0.000 2.741 336 L HA 0.275 4.615 4.340 0.000 0.000 0.237 336 L C 0.988 177.899 176.870 0.067 0.000 1.178 336 L CA -0.080 54.808 54.840 0.080 0.000 0.973 336 L CB 0.120 42.210 42.059 0.053 0.000 1.255 336 L HN 0.579 nan 8.230 nan 0.000 0.498 337 D N 0.040 120.480 120.400 0.067 0.000 2.354 337 D HA 0.011 4.651 4.640 0.000 0.000 0.209 337 D C 0.973 177.310 176.300 0.061 0.000 1.015 337 D CA 0.407 54.438 54.000 0.052 0.000 0.867 337 D CB 0.378 41.201 40.800 0.038 0.000 0.933 337 D HN 0.150 nan 8.370 nan 0.000 0.520 338 V N -0.297 119.669 119.914 0.087 0.000 2.811 338 V HA 0.370 4.490 4.120 0.000 0.000 0.302 338 V C 0.252 176.392 176.094 0.076 0.000 1.063 338 V CA -0.431 61.925 62.300 0.093 0.000 1.088 338 V CB 1.082 32.989 31.823 0.139 0.000 0.982 338 V HN -0.109 nan 8.190 nan 0.000 0.485 339 R N 3.562 124.102 120.500 0.067 0.000 2.473 339 R HA 0.469 4.809 4.340 0.000 0.000 0.303 339 R C -2.958 173.378 176.300 0.061 0.000 1.002 339 R CA -2.126 54.009 56.100 0.058 0.000 0.884 339 R CB 1.783 32.112 30.300 0.048 0.000 1.173 339 R HN 0.541 nan 8.270 nan 0.000 0.464 340 P HA -0.055 nan 4.420 nan 0.000 0.265 340 P C 1.143 178.488 177.300 0.075 0.000 1.187 340 P CA -0.025 63.117 63.100 0.071 0.000 0.766 340 P CB 0.797 32.543 31.700 0.077 0.000 0.820 341 V N 3.096 123.063 119.914 0.088 0.000 2.261 341 V HA -0.146 3.974 4.120 0.000 0.000 0.246 341 V C 1.143 177.295 176.094 0.096 0.000 1.047 341 V CA 1.618 63.975 62.300 0.094 0.000 1.015 341 V CB -0.381 31.509 31.823 0.112 0.000 0.642 341 V HN 0.315 nan 8.190 nan 0.000 0.446 342 V N 3.275 123.258 119.914 0.116 0.000 2.389 342 V HA 0.260 4.380 4.120 0.000 0.000 0.264 342 V C -2.105 174.021 176.094 0.054 0.000 1.049 342 V CA -1.417 60.931 62.300 0.079 0.000 0.932 342 V CB 0.646 32.501 31.823 0.053 0.000 1.011 342 V HN 0.390 nan 8.190 nan 0.000 0.475 343 P HA 0.542 nan 4.420 nan 0.000 0.279 343 P C -0.748 176.579 177.300 0.045 0.000 1.252 343 P CA -0.757 62.369 63.100 0.043 0.000 0.811 343 P CB 1.058 32.780 31.700 0.037 0.000 1.035 344 R N 0.340 120.864 120.500 0.040 0.000 2.744 344 R HA 0.710 5.050 4.340 0.000 0.000 0.279 344 R C -0.862 175.416 176.300 -0.037 0.000 0.977 344 R CA -0.685 55.441 56.100 0.044 0.000 0.906 344 R CB 1.856 32.211 30.300 0.091 0.000 1.197 344 R HN 0.409 nan 8.270 nan 0.000 0.463 345 S N 0.691 116.350 115.700 -0.069 0.000 2.571 345 S HA 0.576 5.046 4.470 0.000 0.000 0.284 345 S C -0.598 173.854 174.600 -0.246 0.000 1.128 345 S CA -0.796 57.331 58.200 -0.122 0.000 0.970 345 S CB 2.018 65.190 63.200 -0.047 0.000 1.039 345 S HN 0.429 nan 8.310 nan 0.000 0.485 346 V N 0.638 120.362 119.914 -0.316 0.000 2.962 346 V HA 0.829 4.949 4.120 0.000 0.000 0.313 346 V C -2.862 173.153 176.094 -0.132 0.000 1.099 346 V CA -2.673 59.412 62.300 -0.359 0.000 0.971 346 V CB 1.633 33.023 31.823 -0.722 0.000 1.028 346 V HN 0.644 nan 8.190 nan 0.000 0.430 347 P HA 0.332 nan 4.420 nan 0.000 0.275 347 P C 0.308 177.611 177.300 0.005 0.000 1.228 347 P CA 0.114 63.205 63.100 -0.015 0.000 0.786 347 P CB 1.774 33.468 31.700 -0.010 0.000 0.927 348 V N -1.147 118.763 119.914 -0.007 0.000 3.451 348 V HA 0.075 4.195 4.120 0.000 0.000 0.288 348 V C 1.643 177.742 176.094 0.009 0.000 1.502 348 V CA 0.376 62.677 62.300 0.001 0.000 1.026 348 V CB -0.657 31.184 31.823 0.029 0.000 0.840 348 V HN 0.462 nan 8.190 nan 0.000 0.437 349 N N 3.063 121.761 118.700 -0.004 0.000 2.309 349 N HA -0.146 4.594 4.740 0.000 0.000 0.182 349 N C 1.557 177.060 175.510 -0.011 0.000 1.018 349 N CA 1.822 54.874 53.050 0.004 0.000 0.876 349 N CB -0.335 38.149 38.487 -0.006 0.000 0.972 349 N HN 0.707 nan 8.380 nan 0.000 0.434 350 S N -0.918 114.748 115.700 -0.057 0.000 2.575 350 S HA 0.125 4.595 4.470 0.000 0.000 0.215 350 S C 0.321 174.828 174.600 -0.154 0.000 0.966 350 S CA -0.867 57.271 58.200 -0.103 0.000 0.911 350 S CB -0.732 62.394 63.200 -0.124 0.000 0.780 350 S HN 0.276 nan 8.310 nan 0.000 0.514 351 F N 3.049 122.832 119.950 -0.279 0.000 2.538 351 F HA 0.437 4.964 4.527 -0.000 0.000 0.371 351 F C -0.465 175.223 175.800 -0.188 0.000 1.087 351 F CA -0.359 57.443 58.000 -0.329 0.000 1.250 351 F CB 0.643 39.448 39.000 -0.325 0.000 1.110 351 F HN -0.075 nan 8.300 nan 0.000 0.570 352 V N 7.121 126.386 119.914 -1.083 0.000 2.483 352 V HA 0.205 4.325 4.120 0.000 0.000 0.297 352 V C -0.237 175.155 176.094 -1.169 0.000 1.027 352 V CA -1.375 60.438 62.300 -0.812 0.000 0.855 352 V CB 1.508 33.070 31.823 -0.434 0.000 0.995 352 V HN 0.711 nan 8.190 nan 0.000 0.424 353 K N 5.500 125.415 120.400 -0.808 0.000 2.447 353 K HA 0.357 4.677 4.320 0.000 0.000 0.281 353 K C -0.282 176.144 176.600 -0.290 0.000 1.031 353 K CA 0.147 56.151 56.287 -0.472 0.000 1.019 353 K CB 0.465 32.895 32.500 -0.116 0.000 0.918 353 K HN 0.687 nan 8.250 nan 0.000 0.476 354 R N 3.639 124.005 120.500 -0.222 0.000 2.774 354 R HA 0.204 4.544 4.340 0.000 0.000 0.272 354 R C -2.126 174.145 176.300 -0.048 0.000 1.000 354 R CA -2.054 53.966 56.100 -0.132 0.000 0.906 354 R CB 1.482 31.684 30.300 -0.163 0.000 1.227 354 R HN 0.380 nan 8.270 nan 0.000 0.468 355 P HA -0.215 nan 4.420 nan 0.000 0.216 355 P C 0.494 177.831 177.300 0.062 0.000 1.150 355 P CA 1.490 64.608 63.100 0.029 0.000 0.843 355 P CB 0.136 31.851 31.700 0.024 0.000 0.787 356 D N -1.285 119.137 120.400 0.037 0.000 2.363 356 D HA -0.086 4.554 4.640 0.000 0.000 0.226 356 D C 0.695 177.050 176.300 0.091 0.000 1.020 356 D CA 0.535 54.584 54.000 0.081 0.000 0.892 356 D CB -1.069 39.759 40.800 0.047 0.000 0.900 356 D HN 0.251 nan 8.370 nan 0.000 0.531 357 N N -1.018 117.699 118.700 0.029 0.000 2.197 357 N HA 0.048 4.788 4.740 0.000 0.000 0.228 357 N C -0.809 174.836 175.510 0.224 0.000 1.212 357 N CA -0.364 52.670 53.050 -0.025 0.000 0.883 357 N CB 0.312 38.656 38.487 -0.239 0.000 1.107 357 N HN -0.162 nan 8.380 nan 0.000 0.519 358 T N 1.030 115.723 114.554 0.232 0.000 2.829 358 T HA 0.519 4.869 4.350 0.000 0.000 0.280 358 T C -0.526 174.327 174.700 0.254 0.000 0.999 358 T CA -0.504 61.732 62.100 0.226 0.000 0.983 358 T CB 1.705 70.651 68.868 0.131 0.000 0.968 358 T HN 0.059 nan 8.240 nan 0.000 0.446 359 L N 4.874 126.252 121.223 0.258 0.000 2.417 359 L HA 0.352 4.692 4.340 0.000 0.000 0.259 359 L C -2.533 174.441 176.870 0.172 0.000 1.023 359 L CA -2.091 52.879 54.840 0.218 0.000 0.901 359 L CB 1.474 43.693 42.059 0.266 0.000 1.227 359 L HN 0.327 nan 8.230 nan 0.000 0.454 360 P HA 0.155 nan 4.420 nan 0.000 0.282 360 P C -0.367 176.993 177.300 0.099 0.000 1.274 360 P CA -0.157 63.015 63.100 0.120 0.000 0.770 360 P CB 1.363 33.123 31.700 0.099 0.000 0.867 361 V N 3.538 123.514 119.914 0.104 0.000 2.481 361 V HA 0.698 4.818 4.120 0.000 0.000 0.286 361 V C 0.396 176.563 176.094 0.122 0.000 1.042 361 V CA -0.219 62.135 62.300 0.089 0.000 0.928 361 V CB 1.004 32.847 31.823 0.034 0.000 0.986 361 V HN 0.714 nan 8.190 nan 0.000 0.462 362 A N 4.703 127.602 122.820 0.130 0.000 2.520 362 A HA 0.771 5.091 4.320 0.000 0.000 0.298 362 A C -1.382 176.192 177.584 -0.017 0.000 1.051 362 A CA -0.600 51.474 52.037 0.062 0.000 0.690 362 A CB 1.527 20.537 19.000 0.017 0.000 1.281 362 A HN 0.764 nan 8.150 nan 0.000 0.402 363 L N 1.806 122.886 121.223 -0.239 0.000 2.265 363 L HA 0.547 4.887 4.340 0.000 0.000 0.288 363 L C -0.656 176.021 176.870 -0.322 0.000 1.058 363 L CA 0.085 54.563 54.840 -0.603 0.000 0.809 363 L CB 0.940 42.416 42.059 -0.971 0.000 1.179 363 L HN 0.646 nan 8.230 nan 0.000 0.429 364 D N 4.538 124.774 120.400 -0.274 0.000 2.349 364 D HA 0.235 4.875 4.640 0.000 0.000 0.232 364 D C 0.412 176.617 176.300 -0.159 0.000 1.071 364 D CA -0.145 53.759 54.000 -0.161 0.000 0.832 364 D CB 0.985 41.719 40.800 -0.109 0.000 1.086 364 D HN 0.620 nan 8.370 nan 0.000 0.504 365 L N 2.734 123.882 121.223 -0.124 0.000 2.607 365 L HA 0.089 4.429 4.340 0.000 0.000 0.228 365 L C 2.101 178.896 176.870 -0.126 0.000 1.123 365 L CA 0.311 55.071 54.840 -0.133 0.000 0.890 365 L CB 0.006 42.016 42.059 -0.081 0.000 1.103 365 L HN 0.441 nan 8.230 nan 0.000 0.468 366 T N -3.326 111.169 114.554 -0.098 0.000 3.088 366 T HA 0.157 4.507 4.350 0.000 0.000 0.259 366 T C 1.057 175.709 174.700 -0.079 0.000 1.122 366 T CA 0.475 62.528 62.100 -0.078 0.000 1.095 366 T CB 0.124 68.958 68.868 -0.057 0.000 0.930 366 T HN 0.260 nan 8.240 nan 0.000 0.508 367 G N 1.133 109.879 108.800 -0.089 0.000 3.039 367 G HA2 0.570 4.530 3.960 0.000 0.000 0.159 367 G HA3 0.570 4.530 3.960 0.000 0.000 0.159 367 G C -0.659 174.187 174.900 -0.091 0.000 1.284 367 G CA -0.133 44.921 45.100 -0.076 0.000 0.996 367 G HN 0.593 nan 8.290 nan 0.000 0.592 368 T N -0.132 114.378 114.554 -0.074 0.000 2.881 368 T HA 0.691 5.041 4.350 0.000 0.000 0.290 368 T C -2.226 172.437 174.700 -0.061 0.000 1.000 368 T CA -1.053 61.001 62.100 -0.077 0.000 0.978 368 T CB 2.108 70.944 68.868 -0.053 0.000 0.997 368 T HN 0.505 nan 8.240 nan 0.000 0.443 369 P HA 0.272 nan 4.420 nan 0.000 0.293 369 P C 0.960 178.145 177.300 -0.192 0.000 1.298 369 P CA -0.775 62.252 63.100 -0.122 0.000 0.757 369 P CB 0.688 32.326 31.700 -0.103 0.000 1.262 370 L N -0.972 120.057 121.223 -0.324 0.000 2.027 370 L HA 0.050 4.390 4.340 0.000 0.000 0.206 370 L C 0.796 177.337 176.870 -0.548 0.000 1.074 370 L CA 1.529 56.053 54.840 -0.528 0.000 0.745 370 L CB -0.930 40.621 42.059 -0.846 0.000 0.898 370 L HN 0.145 nan 8.230 nan 0.000 0.433 371 F N 0.219 120.087 119.950 -0.138 0.000 2.334 371 F HA 0.451 4.978 4.527 -0.001 0.000 0.365 371 F C -0.148 175.528 175.800 -0.208 0.000 1.124 371 F CA -0.927 56.950 58.000 -0.204 0.000 1.166 371 F CB 0.375 39.319 39.000 -0.094 0.000 1.355 371 F HN -0.390 nan 8.300 nan 0.000 0.532 372 V N 2.720 122.540 119.914 -0.156 0.000 2.487 372 V HA 0.341 4.461 4.120 0.000 0.000 0.298 372 V C -0.950 174.998 176.094 -0.243 0.000 1.028 372 V CA -1.213 61.024 62.300 -0.106 0.000 0.860 372 V CB 1.570 33.355 31.823 -0.065 0.000 0.991 372 V HN 0.588 nan 8.190 nan 0.000 0.427 373 W N 4.086 125.392 121.300 0.010 0.000 2.391 373 W HA 0.638 5.298 4.660 0.000 0.000 0.311 373 W C 0.215 176.703 176.519 -0.053 0.000 1.087 373 W CA -0.525 56.792 57.345 -0.046 0.000 1.209 373 W CB 1.297 30.709 29.460 -0.080 0.000 1.273 373 W HN 0.292 nan 8.180 nan 0.000 0.482 374 K N 2.413 122.909 120.400 0.160 0.000 2.316 374 K HA 0.673 4.993 4.320 0.000 0.000 0.251 374 K C -1.251 175.391 176.600 0.069 0.000 0.934 374 K CA -1.134 55.200 56.287 0.077 0.000 0.802 374 K CB 2.584 35.100 32.500 0.027 0.000 1.171 374 K HN 0.137 nan 8.250 nan 0.000 0.426 375 V N 2.794 122.728 119.914 0.034 0.000 2.409 375 V HA 0.136 4.256 4.120 0.000 0.000 0.291 375 V C 0.307 176.416 176.094 0.025 0.000 1.020 375 V CA -0.740 61.575 62.300 0.025 0.000 0.848 375 V CB 1.009 32.828 31.823 -0.007 0.000 0.990 375 V HN 0.942 nan 8.190 nan 0.000 0.430 376 N N 3.539 122.265 118.700 0.045 0.000 2.708 376 N HA -0.214 4.526 4.740 0.000 0.000 0.249 376 N C 1.008 176.536 175.510 0.030 0.000 1.097 376 N CA 1.984 55.061 53.050 0.046 0.000 0.710 376 N CB -1.015 37.502 38.487 0.051 0.000 1.032 376 N HN 1.601 nan 8.380 nan 0.000 0.551 377 G N -2.879 105.936 108.800 0.024 0.000 2.176 377 G HA2 -0.171 3.789 3.960 0.000 0.000 0.232 377 G HA3 -0.171 3.789 3.960 0.000 0.000 0.232 377 G C -0.066 174.837 174.900 0.005 0.000 0.986 377 G CA 0.561 45.670 45.100 0.014 0.000 0.643 377 G HN 1.218 nan 8.290 nan 0.000 0.522 378 S N 1.325 117.027 115.700 0.004 0.000 2.557 378 S HA 0.524 4.994 4.470 0.000 0.000 0.291 378 S C -0.657 173.941 174.600 -0.003 0.000 1.116 378 S CA 0.038 58.235 58.200 -0.006 0.000 0.992 378 S CB 1.142 64.333 63.200 -0.016 0.000 1.028 378 S HN 0.521 nan 8.310 nan 0.000 0.484 379 D N 4.314 124.714 120.400 0.000 0.000 2.348 379 D HA 0.128 4.768 4.640 0.000 0.000 0.253 379 D C 0.491 176.779 176.300 -0.020 0.000 1.161 379 D CA -0.365 53.642 54.000 0.012 0.000 0.876 379 D CB 0.619 41.435 40.800 0.027 0.000 1.160 379 D HN 0.561 nan 8.370 nan 0.000 0.459 380 I N 1.946 122.495 120.570 -0.035 0.000 2.813 380 I HA -0.023 4.147 4.170 0.000 0.000 0.287 380 I C 0.044 176.109 176.117 -0.086 0.000 1.196 380 I CA 0.323 61.578 61.300 -0.075 0.000 1.421 380 I CB 0.320 38.257 38.000 -0.104 0.000 1.365 380 I HN 0.405 nan 8.210 nan 0.000 0.591 381 N N 6.667 125.300 118.700 -0.112 0.000 2.599 381 N HA 0.217 4.957 4.740 0.000 0.000 0.283 381 N C -1.206 174.201 175.510 -0.172 0.000 1.160 381 N CA -0.423 52.538 53.050 -0.149 0.000 0.869 381 N CB 1.647 40.062 38.487 -0.121 0.000 1.448 381 N HN 0.370 nan 8.380 nan 0.000 0.535 382 V N 0.320 120.096 119.914 -0.230 0.000 2.837 382 V HA 0.584 4.704 4.120 0.000 0.000 0.310 382 V C 0.140 176.077 176.094 -0.262 0.000 1.059 382 V CA -0.559 61.620 62.300 -0.202 0.000 1.004 382 V CB 1.781 33.499 31.823 -0.174 0.000 1.045 382 V HN 0.494 nan 8.190 nan 0.000 0.465 383 D N 2.904 123.229 120.400 -0.124 0.000 2.443 383 D HA 0.235 4.875 4.640 0.000 0.000 0.221 383 D C 0.559 176.871 176.300 0.020 0.000 1.097 383 D CA -0.456 53.489 54.000 -0.092 0.000 0.865 383 D CB 0.700 41.516 40.800 0.026 0.000 1.034 383 D HN 0.691 nan 8.370 nan 0.000 0.511 384 W N 2.723 123.952 121.300 -0.118 0.000 2.331 384 W HA -0.073 4.587 4.660 0.001 0.000 0.291 384 W C 1.927 178.396 176.519 -0.084 0.000 1.214 384 W CA 1.183 58.419 57.345 -0.181 0.000 1.228 384 W CB -0.846 28.465 29.460 -0.248 0.000 1.135 384 W HN 0.573 nan 8.180 nan 0.000 0.537 385 G N -0.779 108.194 108.800 0.288 0.000 3.042 385 G HA2 -0.017 3.943 3.960 0.000 0.000 0.212 385 G HA3 -0.017 3.943 3.960 0.000 0.000 0.212 385 G C 0.581 175.580 174.900 0.166 0.000 1.166 385 G CA -0.066 45.211 45.100 0.296 0.000 0.767 385 G HN 0.114 nan 8.290 nan 0.000 0.546 386 K N 0.927 121.417 120.400 0.149 0.000 2.950 386 K HA 0.315 4.635 4.320 0.000 0.000 0.199 386 K C -2.960 173.789 176.600 0.248 0.000 1.144 386 K CA -1.440 54.939 56.287 0.153 0.000 0.983 386 K CB 2.102 34.661 32.500 0.099 0.000 1.187 386 K HN -0.067 nan 8.250 nan 0.000 0.595 387 P HA 0.045 nan 4.420 nan 0.000 0.272 387 P C 1.147 178.657 177.300 0.351 0.000 1.223 387 P CA -0.603 62.662 63.100 0.275 0.000 0.784 387 P CB 0.603 32.500 31.700 0.328 0.000 0.923 388 I N 1.414 122.107 120.570 0.206 0.000 2.185 388 I HA -0.235 3.935 4.170 0.000 0.000 0.246 388 I C 1.989 178.204 176.117 0.164 0.000 1.088 388 I CA 1.712 63.101 61.300 0.147 0.000 1.347 388 I CB -1.222 36.705 38.000 -0.121 0.000 1.041 388 I HN 0.365 nan 8.210 nan 0.000 0.415 389 I N 0.744 121.331 120.570 0.029 0.000 2.423 389 I HA -0.289 3.881 4.170 0.000 0.000 0.254 389 I C 2.297 178.294 176.117 -0.200 0.000 1.151 389 I CA 1.504 62.688 61.300 -0.193 0.000 1.421 389 I CB -1.391 36.320 38.000 -0.482 0.000 1.079 389 I HN 0.286 nan 8.210 nan 0.000 0.431 390 D N 0.018 120.476 120.400 0.098 0.000 2.117 390 D HA -0.225 4.415 4.640 0.000 0.000 0.198 390 D C 2.214 178.536 176.300 0.037 0.000 0.982 390 D CA 1.331 55.413 54.000 0.136 0.000 0.828 390 D CB -0.055 40.893 40.800 0.246 0.000 0.967 390 D HN 0.284 nan 8.370 nan 0.000 0.464 391 Y N 0.326 120.684 120.300 0.097 0.000 2.165 391 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 391 Y C 2.328 178.277 175.900 0.080 0.000 1.155 391 Y CA 0.660 58.828 58.100 0.114 0.000 1.164 391 Y CB -0.281 38.337 38.460 0.263 0.000 0.978 391 Y HN 0.104 nan 8.280 nan 0.000 0.513 392 I N -0.167 120.533 120.570 0.217 0.000 2.179 392 I HA -0.292 3.878 4.170 0.000 0.000 0.242 392 I C 2.208 178.337 176.117 0.020 0.000 1.088 392 I CA 1.643 63.000 61.300 0.094 0.000 1.357 392 I CB -1.324 36.679 38.000 0.005 0.000 1.051 392 I HN 0.295 nan 8.210 nan 0.000 0.409 393 L N 0.388 121.586 121.223 -0.041 0.000 2.275 393 L HA -0.160 4.180 4.340 0.000 0.000 0.215 393 L C 2.253 179.116 176.870 -0.011 0.000 1.119 393 L CA 1.672 56.480 54.840 -0.053 0.000 0.790 393 L CB -0.727 41.267 42.059 -0.109 0.000 0.919 393 L HN 0.407 nan 8.230 nan 0.000 0.443 394 T N -4.630 109.925 114.554 0.001 0.000 3.069 394 T HA 0.246 4.596 4.350 0.000 0.000 0.252 394 T C 1.384 176.090 174.700 0.009 0.000 1.053 394 T CA 0.346 62.444 62.100 -0.002 0.000 0.964 394 T CB 0.610 69.459 68.868 -0.032 0.000 1.005 394 T HN 0.373 nan 8.240 nan 0.000 0.532 395 G N 2.001 110.820 108.800 0.031 0.000 2.198 395 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 395 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 395 G C -0.121 174.797 174.900 0.030 0.000 1.025 395 G CA 0.017 45.138 45.100 0.035 0.000 0.769 395 G HN 0.727 nan 8.290 nan 0.000 0.507 396 N N 0.482 119.214 118.700 0.053 0.000 2.422 396 N HA 0.435 5.175 4.740 0.000 0.000 0.266 396 N C 1.357 176.863 175.510 -0.007 0.000 1.007 396 N CA 0.408 53.485 53.050 0.044 0.000 0.941 396 N CB 1.068 39.589 38.487 0.056 0.000 1.115 396 N HN 0.332 nan 8.380 nan 0.000 0.492 397 T N -1.066 113.370 114.554 -0.197 0.000 3.134 397 T HA 0.161 4.511 4.350 0.000 0.000 0.260 397 T C 0.200 174.393 174.700 -0.845 0.000 1.027 397 T CA -0.323 61.416 62.100 -0.601 0.000 0.913 397 T CB -0.256 68.448 68.868 -0.273 0.000 1.046 397 T HN 0.226 nan 8.240 nan 0.000 0.553 398 S N 2.562 117.995 115.700 -0.446 0.000 3.983 398 S HA 0.307 4.777 4.470 0.000 0.000 0.194 398 S C -0.728 173.710 174.600 -0.269 0.000 1.464 398 S CA -0.758 57.285 58.200 -0.261 0.000 1.021 398 S CB -0.984 62.183 63.200 -0.055 0.000 1.424 398 S HN 0.488 nan 8.310 nan 0.000 0.473 399 Y N 1.736 121.932 120.300 -0.173 0.000 2.526 399 Y HA 0.261 4.811 4.550 -0.000 0.000 0.330 399 Y C -1.856 173.923 175.900 -0.202 0.000 1.156 399 Y CA -2.729 55.141 58.100 -0.385 0.000 1.419 399 Y CB -0.915 37.331 38.460 -0.357 0.000 1.250 399 Y HN 0.287 nan 8.280 nan 0.000 0.540 400 P HA -0.039 nan 4.420 nan 0.000 0.267 400 P C 0.869 178.164 177.300 -0.009 0.000 1.200 400 P CA 0.008 63.108 63.100 -0.001 0.000 0.772 400 P CB 0.809 32.514 31.700 0.008 0.000 0.855 401 V N 1.803 121.714 119.914 -0.004 0.000 2.324 401 V HA -0.247 3.873 4.120 0.000 0.000 0.250 401 V C 2.005 178.081 176.094 -0.030 0.000 1.060 401 V CA 2.430 64.724 62.300 -0.010 0.000 1.042 401 V CB -1.007 30.813 31.823 -0.006 0.000 0.650 401 V HN 0.601 nan 8.190 nan 0.000 0.450 402 S N -0.809 114.869 115.700 -0.036 0.000 2.547 402 S HA -0.130 4.340 4.470 0.000 0.000 0.235 402 S C 1.504 176.056 174.600 -0.079 0.000 0.980 402 S CA 0.679 58.847 58.200 -0.053 0.000 0.941 402 S CB -0.339 62.829 63.200 -0.053 0.000 0.763 402 S HN 0.612 nan 8.310 nan 0.000 0.532 403 D N 1.512 121.859 120.400 -0.088 0.000 2.355 403 D HA 0.033 4.673 4.640 0.000 0.000 0.218 403 D C -0.034 176.177 176.300 -0.147 0.000 1.004 403 D CA 0.182 54.104 54.000 -0.129 0.000 0.880 403 D CB -0.113 40.592 40.800 -0.159 0.000 0.911 403 D HN 0.156 nan 8.370 nan 0.000 0.528 404 N N 0.941 119.573 118.700 -0.113 0.000 2.714 404 N HA -0.176 4.564 4.740 0.000 0.000 0.252 404 N C -0.446 174.965 175.510 -0.165 0.000 1.014 404 N CA 0.380 53.358 53.050 -0.120 0.000 0.735 404 N CB -1.115 37.297 38.487 -0.125 0.000 0.924 404 N HN 0.324 nan 8.380 nan 0.000 0.540 405 I N 0.468 120.942 120.570 -0.160 0.000 2.533 405 I HA 0.040 4.210 4.170 0.000 0.000 0.284 405 I C 0.791 176.841 176.117 -0.112 0.000 1.109 405 I CA 0.019 61.200 61.300 -0.198 0.000 1.412 405 I CB 0.629 38.455 38.000 -0.291 0.000 1.396 405 I HN -0.163 nan 8.210 nan 0.000 0.543 406 V N 7.267 127.113 119.914 -0.113 0.000 2.304 406 V HA 0.229 4.349 4.120 0.000 0.000 0.278 406 V C 0.242 176.414 176.094 0.130 0.000 1.018 406 V CA -0.704 61.606 62.300 0.017 0.000 0.814 406 V CB 1.252 33.035 31.823 -0.068 0.000 1.021 406 V HN 0.726 nan 8.190 nan 0.000 0.440 407 Q N 3.663 123.541 119.800 0.131 0.000 2.286 407 Q HA 0.541 4.881 4.340 0.000 0.000 0.257 407 Q C -1.179 174.948 176.000 0.212 0.000 0.941 407 Q CA -0.250 55.636 55.803 0.139 0.000 0.912 407 Q CB 1.580 30.388 28.738 0.116 0.000 1.192 407 Q HN 0.589 nan 8.270 nan 0.000 0.410 408 V N 5.128 125.173 119.914 0.220 0.000 2.357 408 V HA 0.142 4.262 4.120 0.000 0.000 0.281 408 V C -0.381 175.803 176.094 0.151 0.000 1.015 408 V CA -0.580 61.856 62.300 0.227 0.000 0.827 408 V CB 1.374 33.365 31.823 0.280 0.000 1.018 408 V HN 0.887 nan 8.190 nan 0.000 0.432 409 D N 2.746 123.214 120.400 0.113 0.000 2.327 409 D HA 0.143 4.783 4.640 0.000 0.000 0.205 409 D C 1.388 177.724 176.300 0.060 0.000 0.989 409 D CA 0.588 54.638 54.000 0.084 0.000 0.873 409 D CB 0.532 41.376 40.800 0.072 0.000 0.955 409 D HN 0.665 nan 8.370 nan 0.000 0.515 410 A N 1.085 123.932 122.820 0.045 0.000 2.584 410 A HA 0.108 4.428 4.320 0.000 0.000 0.239 410 A C 0.346 177.936 177.584 0.009 0.000 1.043 410 A CA 0.180 52.226 52.037 0.014 0.000 0.756 410 A CB 0.301 19.293 19.000 -0.013 0.000 0.963 410 A HN -0.013 nan 8.150 nan 0.000 0.511 411 V N 3.885 123.801 119.914 0.003 0.000 2.333 411 V HA 0.249 4.369 4.120 0.000 0.000 0.274 411 V C 0.462 176.537 176.094 -0.030 0.000 1.028 411 V CA 0.606 62.907 62.300 0.002 0.000 0.851 411 V CB 0.466 32.296 31.823 0.011 0.000 1.000 411 V HN 1.138 nan 8.190 nan 0.000 0.456 412 D N 3.512 123.881 120.400 -0.051 0.000 2.689 412 D HA -0.167 4.473 4.640 0.000 0.000 0.237 412 D C 0.101 176.298 176.300 -0.173 0.000 1.148 412 D CA 0.978 54.910 54.000 -0.113 0.000 0.656 412 D CB -0.158 40.596 40.800 -0.077 0.000 1.050 412 D HN 0.575 nan 8.370 nan 0.000 0.426 413 Q N -0.502 119.185 119.800 -0.189 0.000 2.387 413 Q HA 0.414 4.754 4.340 0.000 0.000 0.273 413 Q C -0.220 175.607 176.000 -0.288 0.000 1.089 413 Q CA -0.593 55.106 55.803 -0.173 0.000 0.824 413 Q CB 0.652 29.356 28.738 -0.057 0.000 1.367 413 Q HN 0.261 nan 8.270 nan 0.000 0.443 414 W N 1.811 123.030 121.300 -0.135 0.000 2.253 414 W HA 0.225 4.885 4.660 -0.000 0.000 0.322 414 W C 0.642 176.936 176.519 -0.375 0.000 1.342 414 W CA 0.183 57.355 57.345 -0.287 0.000 1.218 414 W CB 0.715 30.016 29.460 -0.264 0.000 1.205 414 W HN 0.390 nan 8.180 nan 0.000 0.551 415 T N 0.788 115.126 114.554 -0.359 0.000 2.863 415 T HA 0.563 4.913 4.350 0.000 0.000 0.285 415 T C -1.261 172.988 174.700 -0.751 0.000 1.009 415 T CA -0.879 60.928 62.100 -0.487 0.000 0.989 415 T CB 1.134 69.700 68.868 -0.503 0.000 1.004 415 T HN 0.199 nan 8.240 nan 0.000 0.455 416 Y N 0.580 120.442 120.300 -0.730 0.000 2.393 416 Y HA 0.627 5.178 4.550 0.000 0.000 0.341 416 Y C -0.893 174.486 175.900 -0.868 0.000 0.988 416 Y CA -1.145 56.642 58.100 -0.523 0.000 1.078 416 Y CB 1.750 40.118 38.460 -0.153 0.000 1.203 416 Y HN 0.721 nan 8.280 nan 0.000 0.453 417 W N 5.006 126.332 121.300 0.043 0.000 2.647 417 W HA 0.548 5.207 4.660 -0.000 0.000 0.328 417 W C -1.466 175.058 176.519 0.009 0.000 1.018 417 W CA -0.687 56.692 57.345 0.058 0.000 1.245 417 W CB 1.439 30.912 29.460 0.022 0.000 1.356 417 W HN 0.256 nan 8.180 nan 0.000 0.443 418 L N 5.319 126.682 121.223 0.233 0.000 2.257 418 L HA 0.599 4.939 4.340 0.000 0.000 0.290 418 L C -0.841 176.171 176.870 0.237 0.000 1.044 418 L CA -0.531 54.377 54.840 0.115 0.000 0.810 418 L CB 0.114 42.166 42.059 -0.012 0.000 1.193 418 L HN 0.313 nan 8.230 nan 0.000 0.425 419 I N 4.708 125.439 120.570 0.269 0.000 2.336 419 I HA 0.353 4.523 4.170 0.000 0.000 0.292 419 I C -0.066 176.224 176.117 0.289 0.000 0.991 419 I CA -0.043 61.428 61.300 0.286 0.000 1.227 419 I CB 1.302 39.485 38.000 0.305 0.000 1.366 419 I HN 0.559 nan 8.210 nan 0.000 0.466 420 E N 4.484 124.834 120.200 0.250 0.000 2.158 420 E HA 0.263 4.613 4.350 0.000 0.000 0.271 420 E C -0.607 176.127 176.600 0.223 0.000 0.911 420 E CA -0.724 55.837 56.400 0.269 0.000 0.767 420 E CB 1.413 31.247 29.700 0.224 0.000 1.120 420 E HN 0.301 nan 8.360 nan 0.000 0.405 421 N N 3.269 122.114 118.700 0.242 0.000 3.229 421 N HA 0.003 4.743 4.740 0.000 0.000 0.275 421 N C -0.792 174.829 175.510 0.185 0.000 1.225 421 N CA -0.050 53.130 53.050 0.217 0.000 1.119 421 N CB -0.213 38.412 38.487 0.229 0.000 1.392 421 N HN 0.469 nan 8.380 nan 0.000 0.520 422 D N 0.875 121.368 120.400 0.154 0.000 2.704 422 D HA -0.163 4.477 4.640 0.000 0.000 0.232 422 D C -1.469 174.887 176.300 0.093 0.000 1.183 422 D CA 0.134 54.196 54.000 0.103 0.000 0.647 422 D CB 0.163 41.006 40.800 0.072 0.000 1.013 422 D HN 0.424 nan 8.370 nan 0.000 0.415 423 P HA -0.110 nan 4.420 nan 0.000 0.226 423 P C 0.816 178.160 177.300 0.073 0.000 1.153 423 P CA 0.879 64.049 63.100 0.116 0.000 0.777 423 P CB 0.382 32.179 31.700 0.162 0.000 0.794 424 E N -0.385 119.851 120.200 0.061 0.000 2.481 424 E HA 0.186 4.535 4.350 0.000 0.000 0.198 424 E C 1.303 177.919 176.600 0.027 0.000 1.027 424 E CA -0.001 56.424 56.400 0.041 0.000 0.900 424 E CB -0.059 29.665 29.700 0.039 0.000 0.993 424 E HN 0.171 nan 8.360 nan 0.000 0.482 425 G N 2.518 111.328 108.800 0.017 0.000 2.537 425 G HA2 0.207 4.167 3.960 0.000 0.000 0.273 425 G HA3 0.207 4.167 3.960 0.000 0.000 0.273 425 G C -1.365 173.548 174.900 0.022 0.000 1.189 425 G CA -0.938 44.157 45.100 -0.009 0.000 0.881 425 G HN -0.111 nan 8.290 nan 0.000 0.535 426 P HA 0.000 nan 4.420 nan 0.000 0.218 426 P C 0.034 177.489 177.300 0.258 0.000 1.149 426 P CA 1.071 64.256 63.100 0.142 0.000 0.817 426 P CB -0.056 31.756 31.700 0.186 0.000 0.785 427 F N -2.906 117.069 119.950 0.041 0.000 2.678 427 F HA 0.732 5.259 4.527 -0.000 0.000 0.308 427 F C -1.360 174.493 175.800 0.088 0.000 1.118 427 F CA -1.263 56.769 58.000 0.053 0.000 0.959 427 F CB 1.133 40.160 39.000 0.045 0.000 1.305 427 F HN -0.321 nan 8.300 nan 0.000 0.443 428 S N 2.758 118.490 115.700 0.053 0.000 2.549 428 S HA 0.861 5.331 4.470 0.000 0.000 0.280 428 S C -1.623 173.046 174.600 0.115 0.000 1.109 428 S CA -0.646 57.554 58.200 -0.000 0.000 0.905 428 S CB 1.411 64.651 63.200 0.066 0.000 1.081 428 S HN 0.787 nan 8.310 nan 0.000 0.477 429 L N 3.294 124.544 121.223 0.044 0.000 2.341 429 L HA 0.598 4.938 4.340 0.000 0.000 0.267 429 L C -2.436 174.238 176.870 -0.326 0.000 1.009 429 L CA -2.698 52.100 54.840 -0.069 0.000 0.819 429 L CB 2.408 44.428 42.059 -0.064 0.000 1.323 429 L HN 0.464 nan 8.230 nan 0.000 0.425 430 P HA 0.139 nan 4.420 nan 0.000 0.271 430 P C -1.371 175.681 177.300 -0.414 0.000 1.218 430 P CA 0.045 63.005 63.100 -0.234 0.000 0.780 430 P CB 0.423 32.025 31.700 -0.162 0.000 0.901 431 H N 1.836 120.927 119.070 0.035 0.000 2.782 431 H HA 0.251 4.807 4.556 -0.000 0.000 0.347 431 H C -2.426 172.975 175.328 0.121 0.000 1.038 431 H CA -1.982 54.098 56.048 0.054 0.000 1.255 431 H CB 1.994 31.731 29.762 -0.042 0.000 1.623 431 H HN 0.269 nan 8.280 nan 0.000 0.525 432 P HA 0.097 nan 4.420 nan 0.000 0.277 432 P C -0.185 177.235 177.300 0.200 0.000 1.354 432 P CA -0.414 62.855 63.100 0.280 0.000 0.891 432 P CB 0.332 32.185 31.700 0.255 0.000 1.058 433 M N 3.633 123.334 119.600 0.168 0.000 2.180 433 M HA 0.250 4.730 4.480 0.000 0.000 0.358 433 M C 0.166 176.620 176.300 0.257 0.000 1.233 433 M CA -0.265 55.051 55.300 0.026 0.000 1.114 433 M CB -0.202 32.360 32.600 -0.063 0.000 1.594 433 M HN 0.425 nan 8.290 nan 0.000 0.467 434 H N 2.802 121.873 119.070 0.002 0.000 2.589 434 H HA 0.658 5.214 4.556 -0.000 0.000 0.351 434 H C -2.095 173.409 175.328 0.293 0.000 1.074 434 H CA -0.822 55.336 56.048 0.183 0.000 1.203 434 H CB 1.281 31.081 29.762 0.064 0.000 1.558 434 H HN 0.579 nan 8.280 nan 0.000 0.522 435 L N 5.829 127.050 121.223 -0.004 0.000 2.296 435 L HA 0.349 4.689 4.340 0.000 0.000 0.286 435 L C -0.638 176.029 176.870 -0.338 0.000 1.023 435 L CA -0.230 54.646 54.840 0.060 0.000 0.812 435 L CB 0.684 42.881 42.059 0.230 0.000 1.223 435 L HN 0.803 nan 8.230 nan 0.000 0.421 436 H N 3.770 122.668 119.070 -0.286 0.000 2.615 436 H HA 0.354 4.910 4.556 0.000 0.000 0.363 436 H C 0.936 176.036 175.328 -0.380 0.000 1.148 436 H CA 0.217 56.180 56.048 -0.142 0.000 1.401 436 H CB 1.062 30.951 29.762 0.212 0.000 1.461 436 H HN 0.934 nan 8.280 nan 0.000 0.588 437 G N 1.519 109.969 108.800 -0.583 0.000 2.184 437 G HA2 -0.226 3.734 3.960 0.000 0.000 0.264 437 G HA3 -0.226 3.734 3.960 0.000 0.000 0.264 437 G C -0.002 174.084 174.900 -1.355 0.000 0.975 437 G CA 0.229 44.372 45.100 -1.596 0.000 0.642 437 G HN 0.805 nan 8.290 nan 0.000 0.536 438 H N -0.432 118.258 119.070 -0.634 0.000 3.064 438 H HA 0.296 4.852 4.556 0.000 0.000 0.352 438 H C -1.341 173.777 175.328 -0.349 0.000 1.260 438 H CA -0.816 54.957 56.048 -0.458 0.000 1.160 438 H CB 1.384 30.831 29.762 -0.527 0.000 1.879 438 H HN 0.178 nan 8.280 nan 0.000 0.544 439 D N 1.847 122.179 120.400 -0.113 0.000 2.264 439 D HA 0.205 4.845 4.640 0.000 0.000 0.249 439 D C 0.049 176.309 176.300 -0.067 0.000 1.070 439 D CA -0.016 53.863 54.000 -0.201 0.000 0.912 439 D CB 1.156 41.886 40.800 -0.117 0.000 1.193 439 D HN 0.190 nan 8.370 nan 0.000 0.427 440 F N -0.658 119.333 119.950 0.069 0.000 2.497 440 F HA 0.539 5.067 4.527 0.001 0.000 0.331 440 F C -0.352 175.527 175.800 0.131 0.000 1.060 440 F CA -1.406 56.669 58.000 0.126 0.000 0.989 440 F CB 0.351 39.407 39.000 0.094 0.000 1.245 440 F HN 0.007 nan 8.300 nan 0.000 0.486 441 L N 2.463 123.945 121.223 0.431 0.000 2.292 441 L HA 0.463 4.803 4.340 0.000 0.000 0.284 441 L C -0.541 176.492 176.870 0.272 0.000 1.065 441 L CA -1.176 53.815 54.840 0.251 0.000 0.806 441 L CB 1.410 43.489 42.059 0.034 0.000 1.175 441 L HN 0.465 nan 8.230 nan 0.000 0.431 442 V N 5.524 125.588 119.914 0.251 0.000 2.339 442 V HA 0.099 4.219 4.120 0.000 0.000 0.261 442 V C 1.102 177.254 176.094 0.097 0.000 1.058 442 V CA -0.108 62.302 62.300 0.183 0.000 0.897 442 V CB 0.891 32.842 31.823 0.212 0.000 1.052 442 V HN 0.706 nan 8.190 nan 0.000 0.480 443 L N 3.765 125.028 121.223 0.067 0.000 2.375 443 L HA 0.470 4.810 4.340 0.000 0.000 0.215 443 L C 1.142 178.064 176.870 0.086 0.000 1.108 443 L CA 0.881 55.750 54.840 0.048 0.000 0.830 443 L CB 0.004 42.073 42.059 0.016 0.000 0.959 443 L HN 0.820 nan 8.230 nan 0.000 0.457 444 G N 0.155 109.022 108.800 0.112 0.000 2.321 444 G HA2 0.379 4.339 3.960 0.000 0.000 0.298 444 G HA3 0.379 4.339 3.960 0.000 0.000 0.298 444 G C -1.675 173.262 174.900 0.060 0.000 1.385 444 G CA -0.843 44.330 45.100 0.123 0.000 0.856 444 G HN 0.115 nan 8.290 nan 0.000 0.584 445 R N -1.458 118.898 120.500 -0.241 0.000 2.781 445 R HA 0.789 5.129 4.340 0.000 0.000 0.269 445 R C 0.269 175.764 176.300 -1.340 0.000 1.025 445 R CA -0.247 55.401 56.100 -0.754 0.000 0.914 445 R CB 0.898 30.959 30.300 -0.398 0.000 1.236 445 R HN 1.224 nan 8.270 nan 0.000 0.465 446 S N 0.416 114.992 115.700 -1.873 0.000 2.569 446 S HA 0.170 4.640 4.470 0.000 0.000 0.274 446 S C -2.143 171.925 174.600 -0.886 0.000 1.353 446 S CA -0.802 56.506 58.200 -1.486 0.000 1.023 446 S CB -0.146 62.329 63.200 -1.208 0.000 0.876 446 S HN 0.465 nan 8.310 nan 0.000 0.540 447 P HA 0.145 nan 4.420 nan 0.000 0.265 447 P C -0.767 176.285 177.300 -0.414 0.000 1.193 447 P CA 0.033 62.765 63.100 -0.614 0.000 0.765 447 P CB 0.164 31.476 31.700 -0.648 0.000 0.823 448 D N 1.795 122.053 120.400 -0.236 0.000 2.401 448 D HA 0.182 4.822 4.640 0.000 0.000 0.254 448 D C 0.277 176.535 176.300 -0.069 0.000 1.192 448 D CA 0.488 54.402 54.000 -0.144 0.000 0.885 448 D CB 0.092 40.823 40.800 -0.116 0.000 1.147 448 D HN 0.076 nan 8.370 nan 0.000 0.478 449 V N 0.330 120.232 119.914 -0.020 0.000 3.181 449 V HA 0.667 4.787 4.120 0.000 0.000 0.308 449 V C -2.829 173.276 176.094 0.019 0.000 1.214 449 V CA -2.548 59.776 62.300 0.040 0.000 1.053 449 V CB 1.622 33.535 31.823 0.150 0.000 1.069 449 V HN 0.136 nan 8.190 nan 0.000 0.441 450 P HA 0.270 nan 4.420 nan 0.000 0.263 450 P C 0.752 178.064 177.300 0.020 0.000 1.195 450 P CA 0.678 63.786 63.100 0.013 0.000 0.762 450 P CB 1.004 32.716 31.700 0.020 0.000 0.799 451 A N 4.138 126.960 122.820 0.003 0.000 2.019 451 A HA -0.094 4.226 4.320 0.000 0.000 0.219 451 A C 1.834 179.436 177.584 0.030 0.000 1.164 451 A CA 1.909 53.948 52.037 0.003 0.000 0.644 451 A CB -0.985 17.999 19.000 -0.026 0.000 0.805 451 A HN 0.545 nan 8.150 nan 0.000 0.449 452 A N -0.197 122.645 122.820 0.035 0.000 2.348 452 A HA 0.303 4.623 4.320 0.000 0.000 0.224 452 A C 1.983 179.595 177.584 0.047 0.000 1.227 452 A CA 0.978 53.043 52.037 0.047 0.000 0.885 452 A CB -0.527 18.499 19.000 0.043 0.000 0.933 452 A HN 0.810 nan 8.150 nan 0.000 0.506 453 S N -0.714 115.012 115.700 0.043 0.000 2.481 453 S HA -0.128 4.342 4.470 0.000 0.000 0.231 453 S C 0.885 175.508 174.600 0.038 0.000 0.996 453 S CA 0.915 59.138 58.200 0.038 0.000 0.942 453 S CB -0.248 62.974 63.200 0.037 0.000 0.768 453 S HN 0.501 nan 8.310 nan 0.000 0.520 454 Q N 0.026 119.858 119.800 0.053 0.000 2.468 454 Q HA -0.203 4.137 4.340 0.000 0.000 0.256 454 Q C -0.623 175.384 176.000 0.012 0.000 0.984 454 Q CA 1.002 56.838 55.803 0.055 0.000 1.110 454 Q CB -2.387 26.393 28.738 0.070 0.000 1.527 454 Q HN 0.828 nan 8.270 nan 0.000 0.535 455 Q N 0.774 120.569 119.800 -0.008 0.000 2.337 455 Q HA 0.227 4.567 4.340 0.000 0.000 0.270 455 Q C 0.268 176.169 176.000 -0.166 0.000 1.002 455 Q CA 0.230 55.965 55.803 -0.113 0.000 0.888 455 Q CB 0.743 29.422 28.738 -0.098 0.000 1.222 455 Q HN 0.034 nan 8.270 nan 0.000 0.400 456 R N 2.046 122.349 120.500 -0.328 0.000 2.778 456 R HA 0.586 4.926 4.340 0.000 0.000 0.277 456 R C -1.007 174.991 176.300 -0.504 0.000 0.977 456 R CA -0.618 55.351 56.100 -0.219 0.000 0.950 456 R CB 0.927 31.188 30.300 -0.066 0.000 1.165 456 R HN 0.474 nan 8.270 nan 0.000 0.474 457 F N -0.133 119.915 119.950 0.163 0.000 2.561 457 F HA 0.406 4.934 4.527 0.001 0.000 0.313 457 F C -0.207 175.822 175.800 0.381 0.000 1.126 457 F CA -0.944 57.210 58.000 0.257 0.000 0.918 457 F CB 2.107 41.269 39.000 0.271 0.000 1.199 457 F HN -0.022 nan 8.300 nan 0.000 0.444 458 V N 3.384 123.570 119.914 0.455 0.000 2.459 458 V HA 0.269 4.389 4.120 0.000 0.000 0.295 458 V C -0.291 175.929 176.094 0.210 0.000 1.029 458 V CA -1.082 61.415 62.300 0.328 0.000 0.874 458 V CB 1.679 33.612 31.823 0.184 0.000 0.985 458 V HN 0.608 nan 8.190 nan 0.000 0.438 459 F N 4.269 124.057 119.950 -0.269 0.000 2.580 459 F HA 0.128 4.654 4.527 -0.001 0.000 0.398 459 F C 0.312 175.980 175.800 -0.219 0.000 1.023 459 F CA 0.564 58.179 58.000 -0.643 0.000 1.188 459 F CB 0.221 38.704 39.000 -0.862 0.000 1.005 459 F HN 0.628 nan 8.300 nan 0.000 0.546 460 D N 9.071 129.070 120.400 -0.669 0.000 2.469 460 D HA 0.303 4.943 4.640 0.000 0.000 0.251 460 D C -1.956 173.980 176.300 -0.606 0.000 1.173 460 D CA -2.381 51.375 54.000 -0.406 0.000 0.882 460 D CB 1.694 42.404 40.800 -0.150 0.000 1.129 460 D HN 0.178 nan 8.370 nan 0.000 0.549 461 P HA -0.125 nan 4.420 nan 0.000 0.218 461 P C 1.068 178.246 177.300 -0.204 0.000 1.148 461 P CA 0.747 63.633 63.100 -0.356 0.000 0.822 461 P CB 0.230 31.889 31.700 -0.068 0.000 0.784 462 A N -0.202 122.530 122.820 -0.147 0.000 2.121 462 A HA -0.036 4.284 4.320 0.000 0.000 0.218 462 A C 2.118 179.656 177.584 -0.077 0.000 1.154 462 A CA 1.889 53.876 52.037 -0.084 0.000 0.679 462 A CB -1.093 17.874 19.000 -0.056 0.000 0.795 462 A HN 0.255 nan 8.150 nan 0.000 0.458 463 V N -4.875 114.972 119.914 -0.112 0.000 3.359 463 V HA 0.149 4.269 4.120 0.000 0.000 0.245 463 V C 1.258 177.305 176.094 -0.078 0.000 1.247 463 V CA 0.928 63.187 62.300 -0.067 0.000 1.145 463 V CB -0.141 31.667 31.823 -0.025 0.000 0.906 463 V HN 0.213 nan 8.190 nan 0.000 0.464 464 D N 0.818 121.096 120.400 -0.204 0.000 2.301 464 D HA 0.188 4.828 4.640 0.000 0.000 0.206 464 D C 2.134 178.406 176.300 -0.046 0.000 0.979 464 D CA 0.791 54.690 54.000 -0.169 0.000 0.874 464 D CB 0.377 40.832 40.800 -0.576 0.000 0.968 464 D HN 0.379 nan 8.370 nan 0.000 0.510 465 L N 1.086 122.264 121.223 -0.075 0.000 2.079 465 L HA -0.149 4.191 4.340 0.000 0.000 0.210 465 L C 2.364 179.269 176.870 0.058 0.000 1.081 465 L CA 1.105 55.984 54.840 0.066 0.000 0.752 465 L CB -0.355 41.741 42.059 0.061 0.000 0.896 465 L HN -0.028 nan 8.230 nan 0.000 0.433 466 A N -0.402 122.433 122.820 0.025 0.000 2.216 466 A HA -0.101 4.219 4.320 0.000 0.000 0.214 466 A C 2.200 179.808 177.584 0.041 0.000 1.160 466 A CA 0.928 52.981 52.037 0.026 0.000 0.725 466 A CB -0.355 18.651 19.000 0.010 0.000 0.784 466 A HN 0.375 nan 8.150 nan 0.000 0.472 467 R N -0.990 119.552 120.500 0.070 0.000 2.334 467 R HA 0.305 4.645 4.340 0.000 0.000 0.212 467 R C -0.285 176.079 176.300 0.107 0.000 0.897 467 R CA -0.213 55.936 56.100 0.082 0.000 1.056 467 R CB 0.051 30.413 30.300 0.104 0.000 1.046 467 R HN 0.390 nan 8.270 nan 0.000 0.513 468 L N 1.311 122.608 121.223 0.124 0.000 2.418 468 L HA 0.204 4.544 4.340 0.000 0.000 0.265 468 L C -0.007 176.901 176.870 0.063 0.000 1.143 468 L CA -0.506 54.403 54.840 0.114 0.000 0.809 468 L CB 0.404 42.534 42.059 0.119 0.000 1.124 468 L HN -0.061 nan 8.230 nan 0.000 0.456 469 N N 0.420 119.149 118.700 0.048 0.000 2.504 469 N HA 0.347 5.087 4.740 0.000 0.000 0.280 469 N C 0.142 175.654 175.510 0.003 0.000 1.052 469 N CA -0.392 52.672 53.050 0.024 0.000 0.887 469 N CB 1.921 40.423 38.487 0.024 0.000 1.323 469 N HN 0.629 nan 8.380 nan 0.000 0.509 470 G N 1.343 110.134 108.800 -0.015 0.000 3.126 470 G HA2 -0.007 3.953 3.960 0.000 0.000 0.224 470 G HA3 -0.007 3.953 3.960 0.000 0.000 0.224 470 G C -0.105 174.755 174.900 -0.067 0.000 1.142 470 G CA -0.190 44.876 45.100 -0.058 0.000 0.759 470 G HN 0.563 nan 8.290 nan 0.000 0.550 471 D N 1.173 121.554 120.400 -0.032 0.000 2.479 471 D HA 0.118 4.758 4.640 0.000 0.000 0.218 471 D C 0.595 176.888 176.300 -0.012 0.000 1.131 471 D CA -0.591 53.396 54.000 -0.022 0.000 0.916 471 D CB -0.282 40.514 40.800 -0.007 0.000 1.022 471 D HN 0.018 nan 8.370 nan 0.000 0.515 472 N N 2.873 121.561 118.700 -0.019 0.000 2.688 472 N HA -0.134 4.606 4.740 0.000 0.000 0.258 472 N C -2.460 173.058 175.510 0.014 0.000 1.016 472 N CA 0.269 53.319 53.050 0.001 0.000 0.747 472 N CB -0.315 38.182 38.487 0.018 0.000 0.895 472 N HN 0.316 nan 8.380 nan 0.000 0.543 473 P HA 0.261 nan 4.420 nan 0.000 0.275 473 P C -2.562 174.772 177.300 0.057 0.000 1.266 473 P CA -1.054 62.065 63.100 0.031 0.000 0.793 473 P CB -0.000 31.713 31.700 0.023 0.000 1.074 474 P HA 0.116 nan 4.420 nan 0.000 0.264 474 P C -0.152 177.213 177.300 0.108 0.000 1.183 474 P CA 0.715 63.873 63.100 0.096 0.000 0.763 474 P CB 0.221 31.994 31.700 0.122 0.000 0.807 475 R N 3.544 124.089 120.500 0.075 0.000 2.502 475 R HA 0.605 4.945 4.340 0.000 0.000 0.300 475 R C -0.177 176.098 176.300 -0.043 0.000 0.984 475 R CA -0.638 55.493 56.100 0.051 0.000 0.882 475 R CB 1.015 31.355 30.300 0.067 0.000 1.180 475 R HN 0.620 nan 8.270 nan 0.000 0.444 476 R N 1.105 121.486 120.500 -0.198 0.000 3.091 476 R HA 0.170 4.510 4.340 0.000 0.000 0.266 476 R C -1.084 174.794 176.300 -0.704 0.000 0.981 476 R CA -0.411 55.506 56.100 -0.305 0.000 0.845 476 R CB -0.000 30.195 30.300 -0.175 0.000 1.498 476 R HN 0.528 nan 8.270 nan 0.000 0.437 477 D N -0.937 119.176 120.400 -0.479 0.000 2.441 477 D HA 0.185 4.825 4.640 0.000 0.000 0.210 477 D C -0.556 175.726 176.300 -0.030 0.000 1.102 477 D CA 0.112 53.850 54.000 -0.437 0.000 0.840 477 D CB 0.957 41.702 40.800 -0.092 0.000 0.990 477 D HN 0.430 nan 8.370 nan 0.000 0.505 478 T N -0.697 113.915 114.554 0.097 0.000 2.993 478 T HA 0.599 4.949 4.350 0.000 0.000 0.312 478 T C -1.211 173.744 174.700 0.426 0.000 1.115 478 T CA -0.648 61.700 62.100 0.414 0.000 1.027 478 T CB 2.228 71.242 68.868 0.244 0.000 1.116 478 T HN -0.020 nan 8.240 nan 0.000 0.464 479 T N 2.151 117.019 114.554 0.524 0.000 2.821 479 T HA 0.556 4.906 4.350 0.000 0.000 0.306 479 T C -1.341 173.531 174.700 0.287 0.000 1.313 479 T CA -0.795 61.534 62.100 0.382 0.000 1.012 479 T CB 1.047 70.177 68.868 0.437 0.000 1.298 479 T HN 0.372 nan 8.240 nan 0.000 0.502 480 M N 3.049 122.791 119.600 0.237 0.000 2.180 480 M HA 0.391 4.871 4.480 0.000 0.000 0.358 480 M C -0.422 175.951 176.300 0.122 0.000 1.233 480 M CA -0.813 54.602 55.300 0.191 0.000 1.114 480 M CB 0.502 33.197 32.600 0.158 0.000 1.594 480 M HN 0.512 nan 8.290 nan 0.000 0.467 481 L N 7.640 128.942 121.223 0.131 0.000 2.283 481 L HA 0.427 4.767 4.340 0.000 0.000 0.287 481 L C -2.311 174.602 176.870 0.071 0.000 1.073 481 L CA -1.429 53.479 54.840 0.114 0.000 0.822 481 L CB 0.463 42.623 42.059 0.168 0.000 1.186 481 L HN 0.361 nan 8.230 nan 0.000 0.436 482 P HA 0.096 nan 4.420 nan 0.000 0.268 482 P C -0.742 176.580 177.300 0.037 0.000 1.204 482 P CA -0.148 62.942 63.100 -0.016 0.000 0.768 482 P CB 0.476 32.122 31.700 -0.090 0.000 0.842 483 A N 3.815 126.647 122.820 0.019 0.000 2.583 483 A HA 0.307 4.627 4.320 0.000 0.000 0.249 483 A C 1.674 179.319 177.584 0.101 0.000 1.035 483 A CA 0.884 52.949 52.037 0.046 0.000 0.777 483 A CB -1.584 17.436 19.000 0.035 0.000 0.942 483 A HN 0.925 nan 8.150 nan 0.000 0.516 484 G N 1.511 110.385 108.800 0.124 0.000 2.168 484 G HA2 -0.022 3.938 3.960 0.000 0.000 0.263 484 G HA3 -0.022 3.938 3.960 0.000 0.000 0.263 484 G C 0.992 176.020 174.900 0.213 0.000 0.977 484 G CA 1.137 46.323 45.100 0.144 0.000 0.659 484 G HN 1.972 nan 8.290 nan 0.000 0.533 485 G N -0.891 108.041 108.800 0.220 0.000 3.234 485 G HA2 0.760 4.720 3.960 0.000 0.000 0.159 485 G HA3 0.760 4.720 3.960 0.000 0.000 0.159 485 G C -0.089 174.993 174.900 0.303 0.000 1.175 485 G CA -0.195 45.056 45.100 0.251 0.000 0.900 485 G HN 1.122 nan 8.290 nan 0.000 0.621 486 W N -2.096 119.309 121.300 0.175 0.000 3.074 486 W HA 0.730 5.390 4.660 0.000 0.000 0.332 486 W C -2.616 173.969 176.519 0.110 0.000 1.253 486 W CA -1.100 56.337 57.345 0.154 0.000 1.180 486 W CB 1.237 30.814 29.460 0.195 0.000 1.445 486 W HN 0.608 nan 8.180 nan 0.000 0.573 487 L N 2.971 124.474 121.223 0.466 0.000 2.464 487 L HA 0.657 4.997 4.340 0.000 0.000 0.266 487 L C -1.969 175.096 176.870 0.326 0.000 0.965 487 L CA -0.696 54.311 54.840 0.279 0.000 0.833 487 L CB 1.925 44.078 42.059 0.156 0.000 1.296 487 L HN 0.424 nan 8.230 nan 0.000 0.405 488 L N 5.622 127.003 121.223 0.264 0.000 2.298 488 L HA 0.704 5.044 4.340 0.000 0.000 0.284 488 L C -1.492 175.383 176.870 0.008 0.000 1.013 488 L CA -0.041 54.828 54.840 0.049 0.000 0.824 488 L CB 1.184 43.179 42.059 -0.107 0.000 1.221 488 L HN 0.612 nan 8.230 nan 0.000 0.418 489 L N 4.394 125.614 121.223 -0.006 0.000 2.319 489 L HA 0.985 5.325 4.340 0.000 0.000 0.267 489 L C -0.381 176.505 176.870 0.026 0.000 1.011 489 L CA -0.897 53.933 54.840 -0.016 0.000 0.818 489 L CB 1.914 43.866 42.059 -0.178 0.000 1.316 489 L HN 0.715 nan 8.230 nan 0.000 0.432 490 A N 1.554 124.406 122.820 0.054 0.000 2.449 490 A HA 0.888 5.208 4.320 0.000 0.000 0.302 490 A C -1.287 176.493 177.584 0.327 0.000 1.048 490 A CA -0.380 51.640 52.037 -0.027 0.000 0.708 490 A CB 1.612 20.361 19.000 -0.418 0.000 1.274 490 A HN 0.605 nan 8.150 nan 0.000 0.410 491 F N -0.348 119.678 119.950 0.126 0.000 2.626 491 F HA 0.840 5.367 4.527 -0.000 0.000 0.311 491 F C -0.565 175.090 175.800 -0.240 0.000 1.088 491 F CA -1.009 56.999 58.000 0.013 0.000 0.949 491 F CB 1.536 40.364 39.000 -0.286 0.000 1.322 491 F HN 0.646 nan 8.300 nan 0.000 0.461 492 R N 0.811 121.045 120.500 -0.443 0.000 2.407 492 R HA 0.430 4.770 4.340 0.000 0.000 0.303 492 R C -0.429 175.703 176.300 -0.280 0.000 0.981 492 R CA -0.326 55.316 56.100 -0.764 0.000 0.905 492 R CB 1.500 31.001 30.300 -1.332 0.000 1.099 492 R HN 0.939 nan 8.270 nan 0.000 0.459 493 T N 0.467 114.875 114.554 -0.243 0.000 4.058 493 T HA 0.060 4.410 4.350 0.000 0.000 0.252 493 T C 0.089 174.827 174.700 0.063 0.000 1.264 493 T CA -0.645 61.456 62.100 0.002 0.000 1.094 493 T CB -0.244 68.608 68.868 -0.027 0.000 1.316 493 T HN 0.633 nan 8.240 nan 0.000 0.872 494 D N -0.066 120.399 120.400 0.108 0.000 2.342 494 D HA 0.086 4.726 4.640 0.000 0.000 0.221 494 D C 0.273 176.614 176.300 0.069 0.000 1.101 494 D CA -0.436 53.588 54.000 0.041 0.000 0.837 494 D CB 0.068 40.847 40.800 -0.035 0.000 0.938 494 D HN 0.416 nan 8.370 nan 0.000 0.508 495 N N 0.586 119.379 118.700 0.156 0.000 2.751 495 N HA 0.240 4.980 4.740 0.000 0.000 0.238 495 N C -3.029 172.729 175.510 0.414 0.000 1.351 495 N CA -1.598 51.540 53.050 0.147 0.000 0.751 495 N CB 1.250 39.604 38.487 -0.222 0.000 1.342 495 N HN -0.213 nan 8.380 nan 0.000 0.540 496 P HA 0.305 nan 4.420 nan 0.000 0.262 496 P C 0.098 177.538 177.300 0.235 0.000 1.182 496 P CA 0.467 63.722 63.100 0.259 0.000 0.761 496 P CB 0.698 32.480 31.700 0.136 0.000 0.795 497 G N 1.395 110.225 108.800 0.049 0.000 2.316 497 G HA2 0.489 4.449 3.960 0.000 0.000 0.296 497 G HA3 0.489 4.449 3.960 0.000 0.000 0.296 497 G C -1.917 172.498 174.900 -0.809 0.000 1.399 497 G CA -0.230 44.540 45.100 -0.550 0.000 0.833 497 G HN 0.421 nan 8.290 nan 0.000 0.565 498 A N -0.411 121.867 122.820 -0.905 0.000 2.249 498 A HA 0.714 5.034 4.320 0.000 0.000 0.314 498 A C -1.133 176.037 177.584 -0.690 0.000 1.290 498 A CA -0.361 51.318 52.037 -0.597 0.000 0.893 498 A CB 0.053 18.822 19.000 -0.384 0.000 1.165 498 A HN 0.700 nan 8.150 nan 0.000 0.530 499 W N 3.431 124.727 121.300 -0.006 0.000 2.475 499 W HA 0.512 5.172 4.660 -0.000 0.000 0.320 499 W C -0.333 176.126 176.519 -0.100 0.000 1.022 499 W CA -0.666 56.673 57.345 -0.010 0.000 1.240 499 W CB 1.275 30.785 29.460 0.084 0.000 1.328 499 W HN 0.464 nan 8.180 nan 0.000 0.439 500 L N 3.411 124.544 121.223 -0.150 0.000 2.467 500 L HA 0.299 4.639 4.340 0.000 0.000 0.270 500 L C -0.365 176.531 176.870 0.043 0.000 1.205 500 L CA -0.145 54.550 54.840 -0.241 0.000 0.828 500 L CB 0.236 41.955 42.059 -0.568 0.000 1.101 500 L HN 0.338 nan 8.230 nan 0.000 0.479 501 F N 2.991 122.879 119.950 -0.103 0.000 2.671 501 F HA 0.463 4.990 4.527 -0.001 0.000 0.332 501 F C -0.496 175.298 175.800 -0.011 0.000 1.189 501 F CA -0.487 57.477 58.000 -0.060 0.000 0.988 501 F CB 0.717 39.684 39.000 -0.055 0.000 1.258 501 F HN 0.575 nan 8.300 nan 0.000 0.471 502 H N 2.287 121.092 119.070 -0.442 0.000 3.037 502 H HA 0.502 5.057 4.556 -0.000 0.000 0.355 502 H C -1.264 173.912 175.328 -0.254 0.000 1.263 502 H CA -1.404 54.441 56.048 -0.338 0.000 1.129 502 H CB 0.874 30.549 29.762 -0.145 0.000 1.861 502 H HN 0.712 nan 8.280 nan 0.000 0.546 503 C N 2.253 121.499 119.300 -0.090 0.000 2.637 503 C HA 0.101 4.561 4.460 0.000 0.000 0.418 503 C C 1.283 176.392 174.990 0.199 0.000 1.319 503 C CA -0.023 58.995 59.018 0.001 0.000 1.949 503 C CB -0.695 27.014 27.740 -0.052 0.000 2.639 503 C HN 1.028 nan 8.230 nan 0.000 0.594 504 H N 3.675 122.814 119.070 0.116 0.000 2.539 504 H HA 0.307 4.863 4.556 -0.000 0.000 0.269 504 H C 0.505 175.845 175.328 0.020 0.000 0.980 504 H CA 0.218 56.362 56.048 0.161 0.000 1.152 504 H CB 0.066 29.893 29.762 0.107 0.000 1.407 504 H HN 0.670 nan 8.280 nan 0.000 0.564 505 I N 1.431 122.024 120.570 0.037 0.000 2.505 505 I HA -0.056 4.114 4.170 0.000 0.000 0.287 505 I C 1.698 177.610 176.117 -0.342 0.000 1.104 505 I CA -0.037 61.115 61.300 -0.245 0.000 1.387 505 I CB 1.208 38.923 38.000 -0.476 0.000 1.404 505 I HN 0.130 nan 8.210 nan 0.000 0.528 506 A N 7.211 129.694 122.820 -0.562 0.000 1.927 506 A HA -0.198 4.122 4.320 0.000 0.000 0.220 506 A C 1.862 179.326 177.584 -0.199 0.000 1.185 506 A CA 1.663 53.396 52.037 -0.507 0.000 0.639 506 A CB -0.725 17.708 19.000 -0.945 0.000 0.820 506 A HN 0.933 nan 8.150 nan 0.000 0.451 507 W N -1.423 119.844 121.300 -0.054 0.000 2.402 507 W HA -0.086 4.574 4.660 -0.000 0.000 0.286 507 W C 2.234 178.871 176.519 0.196 0.000 1.221 507 W CA 0.734 58.109 57.345 0.050 0.000 1.257 507 W CB -0.428 29.061 29.460 0.050 0.000 1.120 507 W HN 0.539 nan 8.180 nan 0.000 0.551 508 H N -0.871 118.282 119.070 0.139 0.000 2.384 508 H HA -0.094 4.463 4.556 0.001 0.000 0.300 508 H C 2.397 177.692 175.328 -0.055 0.000 1.057 508 H CA 1.022 57.008 56.048 -0.103 0.000 1.370 508 H CB -0.255 29.213 29.762 -0.490 0.000 1.417 508 H HN -0.023 nan 8.280 nan 0.000 0.527 509 V N 0.265 120.227 119.914 0.081 0.000 2.548 509 V HA -0.225 3.895 4.120 0.000 0.000 0.249 509 V C 2.457 178.583 176.094 0.054 0.000 1.055 509 V CA 1.951 64.265 62.300 0.022 0.000 1.065 509 V CB -0.164 31.626 31.823 -0.055 0.000 0.681 509 V HN 0.360 nan 8.190 nan 0.000 0.462 510 S N 0.377 116.147 115.700 0.117 0.000 2.383 510 S HA -0.107 4.363 4.470 0.000 0.000 0.229 510 S C 1.838 176.537 174.600 0.164 0.000 1.030 510 S CA 1.808 60.094 58.200 0.144 0.000 1.002 510 S CB -0.664 62.670 63.200 0.224 0.000 0.829 510 S HN 0.777 nan 8.310 nan 0.000 0.467 511 G N -1.243 107.716 108.800 0.264 0.000 2.985 511 G HA2 0.425 4.385 3.960 0.000 0.000 0.209 511 G HA3 0.425 4.385 3.960 0.000 0.000 0.209 511 G C 0.900 175.968 174.900 0.279 0.000 1.165 511 G CA 0.364 45.661 45.100 0.328 0.000 0.776 511 G HN 1.162 nan 8.290 nan 0.000 0.541 512 G N -0.553 108.357 108.800 0.183 0.000 2.227 512 G HA2 -0.195 3.765 3.960 0.000 0.000 0.168 512 G HA3 -0.195 3.765 3.960 0.000 0.000 0.168 512 G C 0.313 175.256 174.900 0.071 0.000 1.006 512 G CA -0.168 44.994 45.100 0.103 0.000 0.684 512 G HN 0.391 nan 8.290 nan 0.000 0.489 513 L N 2.531 123.789 121.223 0.059 0.000 2.384 513 L HA 0.639 4.979 4.340 0.000 0.000 0.258 513 L C 0.252 177.071 176.870 -0.085 0.000 1.266 513 L CA 0.345 55.154 54.840 -0.052 0.000 1.162 513 L CB 0.303 42.204 42.059 -0.263 0.000 1.375 513 L HN 0.246 nan 8.230 nan 0.000 0.420 514 S N 1.825 117.475 115.700 -0.084 0.000 2.567 514 S HA 0.671 5.141 4.470 0.000 0.000 0.270 514 S C -0.844 173.678 174.600 -0.130 0.000 1.152 514 S CA -0.432 57.706 58.200 -0.103 0.000 0.835 514 S CB 1.681 64.820 63.200 -0.101 0.000 1.115 514 S HN 0.266 nan 8.310 nan 0.000 0.459 515 V N 0.265 120.078 119.914 -0.169 0.000 3.164 515 V HA 0.875 4.995 4.120 0.000 0.000 0.313 515 V C -1.425 174.491 176.094 -0.297 0.000 1.188 515 V CA -0.710 61.440 62.300 -0.250 0.000 1.058 515 V CB 1.919 33.525 31.823 -0.362 0.000 1.110 515 V HN 0.848 nan 8.190 nan 0.000 0.453 516 D N 0.257 120.451 120.400 -0.344 0.000 2.473 516 D HA 0.404 5.044 4.640 0.000 0.000 0.253 516 D C -1.319 174.818 176.300 -0.272 0.000 1.233 516 D CA -0.418 53.415 54.000 -0.278 0.000 0.908 516 D CB 0.965 41.618 40.800 -0.246 0.000 1.170 516 D HN 0.379 nan 8.370 nan 0.000 0.558 517 F N 3.244 123.154 119.950 -0.066 0.000 2.466 517 F HA 0.202 4.729 4.527 -0.000 0.000 0.363 517 F C 0.595 176.389 175.800 -0.008 0.000 1.109 517 F CA -0.600 57.381 58.000 -0.032 0.000 1.161 517 F CB 0.636 39.648 39.000 0.021 0.000 1.117 517 F HN 0.284 nan 8.300 nan 0.000 0.539 518 L N 5.084 126.377 121.223 0.117 0.000 2.302 518 L HA 0.257 4.597 4.340 0.000 0.000 0.285 518 L C 0.087 177.030 176.870 0.122 0.000 1.090 518 L CA -0.126 54.717 54.840 0.005 0.000 0.866 518 L CB 0.153 42.112 42.059 -0.166 0.000 1.244 518 L HN 0.547 nan 8.230 nan 0.000 0.435 519 E N 4.877 125.193 120.200 0.193 0.000 2.152 519 E HA 0.264 4.614 4.350 0.000 0.000 0.285 519 E C -0.192 176.514 176.600 0.176 0.000 1.043 519 E CA -0.461 56.101 56.400 0.269 0.000 0.839 519 E CB 0.261 30.260 29.700 0.498 0.000 1.069 519 E HN 0.524 nan 8.360 nan 0.000 0.399 520 R N 3.482 124.067 120.500 0.141 0.000 3.205 520 R HA -0.130 4.210 4.340 0.000 0.000 0.249 520 R C -1.918 174.429 176.300 0.078 0.000 0.937 520 R CA 0.269 56.431 56.100 0.104 0.000 0.641 520 R CB -1.001 29.365 30.300 0.110 0.000 1.114 520 R HN 0.592 nan 8.270 nan 0.000 0.451 521 P HA -0.234 nan 4.420 nan 0.000 0.218 521 P C 1.240 178.569 177.300 0.049 0.000 1.148 521 P CA 1.925 65.054 63.100 0.048 0.000 0.822 521 P CB 0.150 31.892 31.700 0.071 0.000 0.784 522 A N 0.789 123.642 122.820 0.056 0.000 1.877 522 A HA -0.205 4.115 4.320 0.000 0.000 0.216 522 A C 2.087 179.694 177.584 0.038 0.000 1.186 522 A CA 2.088 54.153 52.037 0.046 0.000 0.620 522 A CB -1.326 17.701 19.000 0.046 0.000 0.822 522 A HN 0.085 nan 8.150 nan 0.000 0.443 523 D N -0.471 119.955 120.400 0.044 0.000 2.144 523 D HA -0.116 4.524 4.640 0.000 0.000 0.200 523 D C 1.867 178.189 176.300 0.037 0.000 0.978 523 D CA 1.247 55.273 54.000 0.043 0.000 0.833 523 D CB -0.416 40.417 40.800 0.055 0.000 0.961 523 D HN 0.341 nan 8.370 nan 0.000 0.470 524 L N 1.400 122.643 121.223 0.033 0.000 2.012 524 L HA -0.164 4.176 4.340 0.000 0.000 0.210 524 L C 2.291 179.158 176.870 -0.006 0.000 1.073 524 L CA 1.710 56.556 54.840 0.009 0.000 0.748 524 L CB -0.430 41.616 42.059 -0.022 0.000 0.891 524 L HN -0.140 nan 8.230 nan 0.000 0.431 525 R N -1.048 119.451 120.500 -0.002 0.000 2.083 525 R HA -0.227 4.113 4.340 0.000 0.000 0.237 525 R C 2.278 178.577 176.300 -0.002 0.000 1.137 525 R CA 1.966 58.061 56.100 -0.009 0.000 0.951 525 R CB -0.178 30.125 30.300 0.005 0.000 0.851 525 R HN 0.461 nan 8.270 nan 0.000 0.434 526 Q N -0.265 119.541 119.800 0.010 0.000 2.226 526 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 526 Q C 1.721 177.731 176.000 0.016 0.000 0.975 526 Q CA 1.531 57.342 55.803 0.014 0.000 0.866 526 Q CB 0.094 28.844 28.738 0.020 0.000 0.915 526 Q HN 0.273 nan 8.270 nan 0.000 0.440 527 R N -0.511 120.001 120.500 0.019 0.000 2.317 527 R HA 0.216 4.556 4.340 0.000 0.000 0.208 527 R C -0.169 176.146 176.300 0.025 0.000 0.914 527 R CA -0.064 56.052 56.100 0.027 0.000 1.060 527 R CB 0.326 30.650 30.300 0.040 0.000 1.015 527 R HN 0.175 nan 8.270 nan 0.000 0.498 528 I N 2.482 123.057 120.570 0.007 0.000 2.436 528 I HA -0.028 4.142 4.170 0.000 0.000 0.289 528 I C 0.761 176.886 176.117 0.013 0.000 1.083 528 I CA -0.180 61.121 61.300 0.001 0.000 1.372 528 I CB 0.938 38.913 38.000 -0.043 0.000 1.408 528 I HN 0.136 nan 8.210 nan 0.000 0.516 529 S N 4.411 120.130 115.700 0.033 0.000 2.584 529 S HA 0.020 4.490 4.470 0.000 0.000 0.270 529 S C 0.805 175.424 174.600 0.031 0.000 1.346 529 S CA -0.503 57.718 58.200 0.035 0.000 1.018 529 S CB 1.440 64.669 63.200 0.049 0.000 0.899 529 S HN 0.665 nan 8.310 nan 0.000 0.542 530 Q N 0.793 120.610 119.800 0.029 0.000 2.124 530 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 530 Q C 1.713 177.735 176.000 0.037 0.000 0.977 530 Q CA 2.119 57.939 55.803 0.028 0.000 0.850 530 Q CB -0.439 28.314 28.738 0.024 0.000 0.901 530 Q HN 0.900 nan 8.270 nan 0.000 0.429 531 E N 0.040 120.265 120.200 0.041 0.000 2.047 531 E HA -0.142 4.208 4.350 0.000 0.000 0.191 531 E C 1.640 178.275 176.600 0.059 0.000 0.987 531 E CA 1.396 57.825 56.400 0.047 0.000 0.799 531 E CB -0.124 29.606 29.700 0.049 0.000 0.752 531 E HN 0.392 nan 8.360 nan 0.000 0.449 532 D N 0.205 120.649 120.400 0.073 0.000 2.117 532 D HA -0.183 4.457 4.640 0.000 0.000 0.197 532 D C 1.838 178.178 176.300 0.067 0.000 0.987 532 D CA 1.095 55.138 54.000 0.071 0.000 0.829 532 D CB -0.177 40.678 40.800 0.091 0.000 0.961 532 D HN 0.262 nan 8.370 nan 0.000 0.460 533 E N 0.432 120.662 120.200 0.050 0.000 2.051 533 E HA -0.189 4.161 4.350 0.000 0.000 0.192 533 E C 1.298 177.972 176.600 0.123 0.000 0.991 533 E CA 1.255 57.691 56.400 0.061 0.000 0.799 533 E CB 0.139 29.852 29.700 0.022 0.000 0.748 533 E HN 0.073 nan 8.360 nan 0.000 0.449 534 D N 0.477 120.926 120.400 0.081 0.000 2.123 534 D HA -0.170 4.470 4.640 0.000 0.000 0.196 534 D C 1.584 177.928 176.300 0.074 0.000 0.992 534 D CA 1.455 55.498 54.000 0.072 0.000 0.833 534 D CB -0.424 40.404 40.800 0.046 0.000 0.954 534 D HN 0.251 nan 8.370 nan 0.000 0.455 535 D N -1.033 119.406 120.400 0.064 0.000 2.183 535 D HA -0.108 4.532 4.640 0.000 0.000 0.203 535 D C 1.752 178.074 176.300 0.037 0.000 0.969 535 D CA 0.241 54.258 54.000 0.028 0.000 0.842 535 D CB -0.141 40.654 40.800 -0.007 0.000 0.957 535 D HN 0.090 nan 8.370 nan 0.000 0.484 536 F N 1.065 120.980 119.950 -0.058 0.000 2.095 536 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 536 F C 1.903 177.694 175.800 -0.015 0.000 1.104 536 F CA 1.403 59.373 58.000 -0.050 0.000 1.232 536 F CB -0.271 38.703 39.000 -0.043 0.000 0.987 536 F HN -0.063 nan 8.300 nan 0.000 0.475 537 N N 0.492 119.277 118.700 0.143 0.000 2.188 537 N HA -0.168 4.572 4.740 0.000 0.000 0.184 537 N C 2.060 177.553 175.510 -0.028 0.000 1.018 537 N CA 1.200 54.282 53.050 0.053 0.000 0.858 537 N CB -0.583 37.985 38.487 0.136 0.000 0.989 537 N HN 0.385 nan 8.380 nan 0.000 0.426 538 R N 1.017 121.511 120.500 -0.010 0.000 2.080 538 R HA -0.087 4.253 4.340 0.000 0.000 0.236 538 R C 1.854 178.133 176.300 -0.035 0.000 1.137 538 R CA 1.429 57.521 56.100 -0.014 0.000 0.943 538 R CB -0.297 29.999 30.300 -0.007 0.000 0.846 538 R HN -0.029 nan 8.270 nan 0.000 0.431 539 V N 0.292 120.157 119.914 -0.082 0.000 2.343 539 V HA -0.304 3.816 4.120 0.000 0.000 0.247 539 V C 2.607 178.666 176.094 -0.059 0.000 1.051 539 V CA 1.728 63.981 62.300 -0.080 0.000 1.036 539 V CB -0.508 31.233 31.823 -0.136 0.000 0.654 539 V HN 0.550 nan 8.190 nan 0.000 0.451 540 c N 0.107 118.593 118.600 -0.190 0.000 2.429 540 c HA -0.157 4.413 4.570 0.000 0.000 0.277 540 c C 2.559 176.674 174.090 0.042 0.000 1.262 540 c CA 0.959 57.215 56.329 -0.121 0.000 1.733 540 c CB -1.052 41.255 42.510 -0.339 0.000 2.010 540 c HN 0.600 nan 8.230 nan 0.000 0.483 541 D N 0.599 121.006 120.400 0.011 0.000 2.104 541 D HA -0.128 4.512 4.640 0.000 0.000 0.194 541 D C 2.094 178.439 176.300 0.076 0.000 0.994 541 D CA 1.314 55.341 54.000 0.044 0.000 0.830 541 D CB -0.496 40.320 40.800 0.027 0.000 0.959 541 D HN 0.626 nan 8.370 nan 0.000 0.452 542 E N -0.247 120.004 120.200 0.085 0.000 2.072 542 E HA -0.135 4.215 4.350 0.000 0.000 0.191 542 E C 2.046 178.760 176.600 0.191 0.000 0.985 542 E CA 0.350 56.816 56.400 0.110 0.000 0.801 542 E CB -0.154 29.599 29.700 0.088 0.000 0.750 542 E HN 0.443 nan 8.360 nan 0.000 0.452 543 W N 2.108 123.445 121.300 0.060 0.000 2.358 543 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 543 W C 1.778 178.437 176.519 0.232 0.000 1.208 543 W CA 1.178 58.608 57.345 0.142 0.000 1.274 543 W CB -0.056 29.439 29.460 0.058 0.000 1.138 543 W HN -0.031 nan 8.180 nan 0.000 0.515 544 R N 0.162 120.741 120.500 0.133 0.000 2.115 544 R HA -0.100 4.240 4.340 0.000 0.000 0.230 544 R C 2.468 178.772 176.300 0.006 0.000 1.111 544 R CA 1.389 57.521 56.100 0.054 0.000 0.976 544 R CB -0.701 29.666 30.300 0.112 0.000 0.870 544 R HN 0.129 nan 8.270 nan 0.000 0.445 545 A N 0.225 123.060 122.820 0.025 0.000 1.969 545 A HA -0.197 4.123 4.320 0.000 0.000 0.218 545 A C 1.897 179.460 177.584 -0.034 0.000 1.169 545 A CA 0.988 53.028 52.037 0.005 0.000 0.635 545 A CB -0.484 18.535 19.000 0.032 0.000 0.810 545 A HN 0.454 nan 8.150 nan 0.000 0.445 546 Y N -1.341 118.867 120.300 -0.153 0.000 2.243 546 Y HA -0.153 4.397 4.550 -0.000 0.000 0.293 546 Y C 2.245 177.976 175.900 -0.281 0.000 1.124 546 Y CA 1.299 59.272 58.100 -0.211 0.000 1.159 546 Y CB -0.533 37.786 38.460 -0.235 0.000 1.008 546 Y HN 0.522 nan 8.280 nan 0.000 0.527 547 W N 2.538 123.384 121.300 -0.757 0.000 2.321 547 W HA -0.184 4.476 4.660 0.000 0.000 0.306 547 W C -1.013 175.182 176.519 -0.540 0.000 1.217 547 W CA 1.759 58.644 57.345 -0.768 0.000 1.257 547 W CB -1.430 27.681 29.460 -0.582 0.000 1.145 547 W HN 0.180 nan 8.180 nan 0.000 0.509 548 P HA -0.159 nan 4.420 nan 0.000 0.223 548 P C 1.558 178.534 177.300 -0.539 0.000 1.144 548 P CA 2.870 65.698 63.100 -0.454 0.000 0.783 548 P CB -0.508 31.059 31.700 -0.223 0.000 0.771 549 T N -5.916 108.238 114.554 -0.666 0.000 3.081 549 T HA 0.015 4.365 4.350 0.000 0.000 0.250 549 T C 0.819 175.130 174.700 -0.647 0.000 1.100 549 T CA -0.278 61.481 62.100 -0.570 0.000 1.038 549 T CB -0.828 67.762 68.868 -0.463 0.000 0.962 549 T HN 0.015 nan 8.240 nan 0.000 0.516 550 N N 3.036 121.191 118.700 -0.909 0.000 2.468 550 N HA 0.072 4.812 4.740 0.000 0.000 0.265 550 N C -1.347 173.841 175.510 -0.536 0.000 1.199 550 N CA -1.089 51.546 53.050 -0.691 0.000 0.928 550 N CB 1.412 39.385 38.487 -0.856 0.000 1.059 550 N HN 0.188 nan 8.380 nan 0.000 0.467 551 P HA -0.018 nan 4.420 nan 0.000 0.233 551 P C -0.816 176.196 177.300 -0.480 0.000 1.167 551 P CA 0.959 63.743 63.100 -0.528 0.000 0.770 551 P CB 0.168 31.452 31.700 -0.693 0.000 0.837 552 Y N 1.186 121.449 120.300 -0.062 0.000 2.446 552 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 552 Y C -1.895 174.053 175.900 0.080 0.000 1.055 552 Y CA -3.540 54.584 58.100 0.040 0.000 1.101 552 Y CB 0.419 38.963 38.460 0.140 0.000 1.221 552 Y HN -0.137 nan 8.280 nan 0.000 0.460 553 P HA 0.176 nan 4.420 nan 0.000 0.276 553 P C -1.093 176.495 177.300 0.481 0.000 1.252 553 P CA -0.832 62.475 63.100 0.345 0.000 0.802 553 P CB 1.319 33.155 31.700 0.227 0.000 1.035 554 K N 1.777 122.487 120.400 0.517 0.000 2.312 554 K HA 0.211 4.531 4.320 0.000 0.000 0.287 554 K C 0.958 177.638 176.600 0.133 0.000 1.062 554 K CA -0.321 56.138 56.287 0.288 0.000 0.934 554 K CB -0.162 32.306 32.500 -0.054 0.000 1.027 554 K HN 0.475 nan 8.250 nan 0.000 0.478 555 I N 0.019 120.663 120.570 0.123 0.000 4.018 555 I HA 0.225 4.395 4.170 0.000 0.000 0.337 555 I C -0.258 175.896 176.117 0.061 0.000 1.327 555 I CA -0.457 60.906 61.300 0.105 0.000 1.100 555 I CB 0.105 38.193 38.000 0.146 0.000 1.025 555 I HN 0.528 nan 8.210 nan 0.000 0.396 556 D N 0.294 120.697 120.400 0.006 0.000 2.958 556 D HA 0.159 4.799 4.640 0.000 0.000 0.306 556 D C 0.952 177.190 176.300 -0.103 0.000 1.226 556 D CA 0.285 54.282 54.000 -0.003 0.000 1.032 556 D CB 0.452 41.291 40.800 0.065 0.000 1.400 556 D HN -0.067 nan 8.370 nan 0.000 0.587 557 S N -1.839 113.815 115.700 -0.078 0.000 2.447 557 S HA 0.232 4.702 4.470 0.000 0.000 0.233 557 S C 1.861 176.296 174.600 -0.274 0.000 1.006 557 S CA 1.272 59.385 58.200 -0.144 0.000 0.957 557 S CB -0.785 62.364 63.200 -0.084 0.000 0.773 557 S HN 1.646 nan 8.310 nan 0.000 0.507 558 G N 0.355 108.996 108.800 -0.265 0.000 2.195 558 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 558 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 558 G C -0.032 174.933 174.900 0.109 0.000 0.984 558 G CA 0.315 45.247 45.100 -0.280 0.000 0.633 558 G HN 0.524 nan 8.290 nan 0.000 0.525 559 L N 0.000 121.231 121.223 0.013 0.000 2.949 559 L HA 0.000 4.340 4.340 0.000 0.000 0.249 559 L CA 0.000 54.871 54.840 0.051 0.000 0.813 559 L CB 0.000 41.973 42.059 -0.143 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502