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 2zbg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.147 176.300 -0.254 0.000 1.140 1 M CA 0.000 55.027 55.300 -0.455 0.000 0.988 1 M CB 0.000 32.208 32.600 -0.654 0.000 1.302 2 E N 2.807 122.865 120.200 -0.237 0.000 2.331 2 E HA 0.699 5.048 4.350 -0.000 0.000 0.272 2 E C 0.392 176.921 176.600 -0.119 0.000 1.036 2 E CA 1.512 57.851 56.400 -0.103 0.000 0.864 2 E CB 1.287 30.960 29.700 -0.045 0.000 1.035 2 E HN 0.841 nan 8.360 nan 0.000 0.408 3 A N 3.094 125.900 122.820 -0.024 0.000 2.822 3 A HA -0.254 4.066 4.320 -0.000 0.000 0.287 3 A C 1.530 179.006 177.584 -0.180 0.000 1.479 3 A CA 1.292 53.297 52.037 -0.054 0.000 0.779 3 A CB -2.124 16.809 19.000 -0.111 0.000 1.022 3 A HN 0.749 nan 8.150 nan 0.000 0.532 4 A N 0.210 122.978 122.820 -0.087 0.000 2.076 4 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 4 A C 1.791 179.331 177.584 -0.074 0.000 1.160 4 A CA 1.919 53.896 52.037 -0.100 0.000 0.653 4 A CB -0.915 18.053 19.000 -0.052 0.000 0.801 4 A HN 1.569 nan 8.150 nan 0.000 0.455 5 H N -0.307 118.746 119.070 -0.028 0.000 2.491 5 H HA -0.033 4.523 4.556 -0.000 0.000 0.290 5 H C 1.694 177.029 175.328 0.011 0.000 1.050 5 H CA 1.603 57.645 56.048 -0.011 0.000 1.309 5 H CB -0.606 29.165 29.762 0.014 0.000 1.392 5 H HN 0.549 nan 8.280 nan 0.000 0.554 6 S N -0.475 114.821 115.700 -0.673 0.000 2.593 6 S HA 0.183 4.653 4.470 -0.000 0.000 0.217 6 S C 0.441 174.939 174.600 -0.170 0.000 0.966 6 S CA -0.497 57.467 58.200 -0.393 0.000 0.914 6 S CB 0.217 63.150 63.200 -0.445 0.000 0.776 6 S HN 0.070 nan 8.310 nan 0.000 0.523 7 K N 2.153 122.472 120.400 -0.134 0.000 2.258 7 K HA 0.607 4.927 4.320 -0.000 0.000 0.236 7 K C 0.168 176.755 176.600 -0.023 0.000 1.008 7 K CA -0.643 55.603 56.287 -0.067 0.000 0.869 7 K CB 1.587 34.043 32.500 -0.073 0.000 1.171 7 K HN 0.261 nan 8.250 nan 0.000 0.447 8 S N -1.337 114.360 115.700 -0.004 0.000 2.645 8 S HA 0.098 4.568 4.470 -0.000 0.000 0.266 8 S C 1.145 175.757 174.600 0.020 0.000 1.258 8 S CA 0.205 58.413 58.200 0.013 0.000 0.990 8 S CB 0.793 64.001 63.200 0.014 0.000 0.967 8 S HN 0.665 nan 8.310 nan 0.000 0.556 9 T N -0.553 114.016 114.554 0.025 0.000 2.720 9 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 9 T C 1.299 176.020 174.700 0.036 0.000 1.037 9 T CA 1.658 63.774 62.100 0.028 0.000 1.144 9 T CB -0.814 68.067 68.868 0.022 0.000 0.864 9 T HN 0.690 nan 8.240 nan 0.000 0.444 10 E N 1.609 121.828 120.200 0.031 0.000 2.051 10 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 10 E C 2.374 179.005 176.600 0.051 0.000 0.991 10 E CA 1.315 57.737 56.400 0.036 0.000 0.799 10 E CB -0.324 29.391 29.700 0.025 0.000 0.748 10 E HN 0.692 nan 8.360 nan 0.000 0.449 11 E N -0.191 120.035 120.200 0.043 0.000 2.118 11 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 11 E C 2.009 178.662 176.600 0.088 0.000 0.992 11 E CA 1.167 57.599 56.400 0.053 0.000 0.804 11 E CB -0.200 29.517 29.700 0.028 0.000 0.741 11 E HN 0.291 nan 8.360 nan 0.000 0.458 12 C N 0.451 119.802 119.300 0.085 0.000 2.457 12 C HA -0.019 4.441 4.460 -0.000 0.000 0.278 12 C C 2.580 177.719 174.990 0.248 0.000 1.309 12 C CA 0.177 59.279 59.018 0.140 0.000 1.735 12 C CB -0.767 27.034 27.740 0.102 0.000 1.992 12 C HN 0.378 nan 8.230 nan 0.000 0.493 13 L N 1.178 122.504 121.223 0.172 0.000 2.027 13 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 13 L C 2.918 179.901 176.870 0.189 0.000 1.074 13 L CA 1.630 56.577 54.840 0.177 0.000 0.745 13 L CB -0.878 41.241 42.059 0.099 0.000 0.898 13 L HN 0.313 nan 8.230 nan 0.000 0.433 14 A N -0.415 122.485 122.820 0.133 0.000 1.865 14 A HA -0.322 3.998 4.320 -0.000 0.000 0.217 14 A C 2.227 179.860 177.584 0.082 0.000 1.191 14 A CA 1.850 53.942 52.037 0.092 0.000 0.623 14 A CB -1.149 17.888 19.000 0.062 0.000 0.826 14 A HN 0.477 nan 8.150 nan 0.000 0.444 15 Y N -0.705 119.573 120.300 -0.036 0.000 2.132 15 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 15 Y C 1.625 177.371 175.900 -0.256 0.000 1.193 15 Y CA 2.371 60.358 58.100 -0.189 0.000 1.157 15 Y CB -0.331 37.935 38.460 -0.323 0.000 0.966 15 Y HN 0.297 nan 8.280 nan 0.000 0.511 16 F N -0.575 119.471 119.950 0.160 0.000 2.695 16 F HA 0.314 4.841 4.527 -0.000 0.000 0.303 16 F C 1.583 177.443 175.800 0.100 0.000 1.091 16 F CA 0.388 58.465 58.000 0.129 0.000 1.300 16 F CB 0.125 39.225 39.000 0.167 0.000 1.071 16 F HN 0.038 nan 8.300 nan 0.000 0.578 17 G N 2.200 111.121 108.800 0.201 0.000 2.359 17 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.298 17 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.298 17 G C -0.581 174.411 174.900 0.153 0.000 1.030 17 G CA 0.375 45.554 45.100 0.131 0.000 1.149 17 G HN 0.325 nan 8.290 nan 0.000 0.512 18 V N -0.212 119.800 119.914 0.163 0.000 2.914 18 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 18 V C 0.336 176.478 176.094 0.081 0.000 1.084 18 V CA -0.058 62.316 62.300 0.123 0.000 0.963 18 V CB 2.275 34.175 31.823 0.130 0.000 1.025 18 V HN 1.022 nan 8.190 nan 0.000 0.432 19 S N 2.763 118.496 115.700 0.055 0.000 2.457 19 S HA 0.283 4.753 4.470 -0.000 0.000 0.289 19 S C 0.871 175.478 174.600 0.013 0.000 1.163 19 S CA 0.091 58.311 58.200 0.032 0.000 1.078 19 S CB 1.163 64.379 63.200 0.027 0.000 0.987 19 S HN 0.957 nan 8.310 nan 0.000 0.482 20 E N 2.691 122.888 120.200 -0.005 0.000 2.204 20 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 20 E C 1.614 178.164 176.600 -0.084 0.000 0.990 20 E CA 1.685 58.059 56.400 -0.043 0.000 0.821 20 E CB -0.015 29.658 29.700 -0.044 0.000 0.750 20 E HN 0.872 nan 8.360 nan 0.000 0.477 21 T N -2.815 111.708 114.554 -0.051 0.000 3.043 21 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 21 T C 1.869 176.561 174.700 -0.014 0.000 1.094 21 T CA 1.316 63.383 62.100 -0.055 0.000 1.127 21 T CB 0.115 68.967 68.868 -0.027 0.000 0.905 21 T HN 0.206 nan 8.240 nan 0.000 0.490 22 T N -2.418 112.147 114.554 0.017 0.000 2.987 22 T HA 0.542 4.892 4.350 -0.000 0.000 0.248 22 T C 1.289 176.040 174.700 0.084 0.000 0.997 22 T CA 0.720 62.854 62.100 0.057 0.000 1.013 22 T CB -0.039 68.856 68.868 0.045 0.000 1.077 22 T HN 1.256 nan 8.240 nan 0.000 0.483 23 G N 1.628 110.467 108.800 0.065 0.000 2.757 23 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.638 23 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.638 23 G C -0.662 174.276 174.900 0.064 0.000 1.344 23 G CA -0.581 44.564 45.100 0.076 0.000 0.855 23 G HN 0.666 nan 8.290 nan 0.000 0.537 24 L N 0.855 122.115 121.223 0.063 0.000 2.483 24 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 24 L C 1.852 178.748 176.870 0.043 0.000 1.220 24 L CA 0.381 55.258 54.840 0.062 0.000 0.833 24 L CB 0.236 42.343 42.059 0.079 0.000 1.102 24 L HN 1.025 nan 8.230 nan 0.000 0.490 25 T N -1.737 112.834 114.554 0.028 0.000 2.874 25 T HA 0.259 4.609 4.350 -0.000 0.000 0.281 25 T C -1.521 173.183 174.700 0.005 0.000 0.994 25 T CA -1.724 60.385 62.100 0.015 0.000 1.015 25 T CB 1.391 70.263 68.868 0.006 0.000 1.028 25 T HN 0.491 nan 8.240 nan 0.000 0.523 26 P HA -0.118 nan 4.420 nan 0.000 0.219 26 P C 0.850 178.143 177.300 -0.012 0.000 1.146 26 P CA 1.343 64.443 63.100 0.001 0.000 0.808 26 P CB 0.113 31.815 31.700 0.002 0.000 0.779 27 D N 0.054 120.441 120.400 -0.021 0.000 2.091 27 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 27 D C 2.282 178.536 176.300 -0.077 0.000 0.980 27 D CA 1.218 55.195 54.000 -0.039 0.000 0.831 27 D CB -0.566 40.212 40.800 -0.036 0.000 0.987 27 D HN 0.060 nan 8.370 nan 0.000 0.460 28 Q N -0.214 119.530 119.800 -0.093 0.000 2.133 28 Q HA -0.163 4.177 4.340 -0.000 0.000 0.208 28 Q C 2.414 178.285 176.000 -0.215 0.000 0.991 28 Q CA 1.618 57.297 55.803 -0.207 0.000 0.867 28 Q CB -0.129 28.544 28.738 -0.108 0.000 0.911 28 Q HN 0.252 nan 8.270 nan 0.000 0.417 29 V N 1.021 120.907 119.914 -0.047 0.000 2.343 29 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 29 V C 2.251 178.354 176.094 0.015 0.000 1.051 29 V CA 2.119 64.434 62.300 0.026 0.000 1.036 29 V CB -0.519 31.322 31.823 0.030 0.000 0.654 29 V HN 0.325 nan 8.190 nan 0.000 0.451 30 K N 0.126 120.516 120.400 -0.017 0.000 2.057 30 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 30 K C 2.417 179.005 176.600 -0.021 0.000 1.049 30 K CA 1.482 57.761 56.287 -0.013 0.000 0.931 30 K CB -0.198 32.293 32.500 -0.015 0.000 0.714 30 K HN 0.263 nan 8.250 nan 0.000 0.440 31 R N -0.543 119.918 120.500 -0.065 0.000 2.081 31 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 31 R C 2.104 178.402 176.300 -0.002 0.000 1.131 31 R CA 1.635 57.688 56.100 -0.077 0.000 0.960 31 R CB -0.200 30.007 30.300 -0.154 0.000 0.856 31 R HN 0.395 nan 8.270 nan 0.000 0.436 32 H N 0.265 119.377 119.070 0.071 0.000 2.357 32 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 32 H C 1.920 177.335 175.328 0.145 0.000 1.082 32 H CA 1.112 57.270 56.048 0.183 0.000 1.342 32 H CB -0.310 29.613 29.762 0.268 0.000 1.389 32 H HN 0.138 nan 8.280 nan 0.000 0.511 33 L N 1.510 122.833 121.223 0.166 0.000 2.079 33 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 33 L C 1.909 178.764 176.870 -0.024 0.000 1.081 33 L CA 1.677 56.522 54.840 0.009 0.000 0.752 33 L CB -0.339 41.675 42.059 -0.075 0.000 0.896 33 L HN 0.235 nan 8.230 nan 0.000 0.433 34 E N -1.024 119.173 120.200 -0.004 0.000 2.112 34 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 34 E C 2.020 178.592 176.600 -0.046 0.000 0.979 34 E CA 0.816 57.205 56.400 -0.018 0.000 0.814 34 E CB -0.112 29.578 29.700 -0.017 0.000 0.762 34 E HN 0.423 nan 8.360 nan 0.000 0.460 35 K N 0.176 120.515 120.400 -0.102 0.000 2.217 35 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 35 K C 0.914 177.286 176.600 -0.381 0.000 1.051 35 K CA 1.106 57.217 56.287 -0.293 0.000 0.952 35 K CB 0.201 32.415 32.500 -0.477 0.000 0.736 35 K HN 0.180 nan 8.250 nan 0.000 0.453 36 Y N -0.726 119.608 120.300 0.057 0.000 2.426 36 Y HA 0.260 4.810 4.550 -0.000 0.000 0.249 36 Y C 0.887 176.799 175.900 0.021 0.000 1.103 36 Y CA -0.111 58.014 58.100 0.042 0.000 1.256 36 Y CB 1.373 39.858 38.460 0.041 0.000 1.208 36 Y HN 0.221 nan 8.280 nan 0.000 0.519 37 G N 0.480 109.347 108.800 0.112 0.000 2.725 37 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 37 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 37 G C -1.095 173.796 174.900 -0.014 0.000 1.357 37 G CA -0.772 44.368 45.100 0.066 0.000 0.866 37 G HN 0.373 nan 8.290 nan 0.000 0.548 38 H N -0.218 118.900 119.070 0.079 0.000 2.505 38 H HA 0.465 5.021 4.556 -0.000 0.000 0.351 38 H C 0.939 176.299 175.328 0.054 0.000 1.151 38 H CA 0.220 56.306 56.048 0.063 0.000 1.339 38 H CB 0.926 30.716 29.762 0.046 0.000 1.483 38 H HN 0.570 nan 8.280 nan 0.000 0.558 39 N N 2.249 121.035 118.700 0.143 0.000 2.819 39 N HA 0.004 4.744 4.740 -0.000 0.000 0.284 39 N C -1.032 174.534 175.510 0.093 0.000 1.196 39 N CA 0.208 53.310 53.050 0.086 0.000 1.114 39 N CB -0.166 38.352 38.487 0.051 0.000 1.437 39 N HN 0.608 nan 8.380 nan 0.000 0.518 40 E N 1.037 121.294 120.200 0.096 0.000 2.372 40 E HA 0.295 4.645 4.350 -0.000 0.000 0.279 40 E C -1.558 175.080 176.600 0.063 0.000 0.946 40 E CA -0.834 55.611 56.400 0.075 0.000 0.769 40 E CB 1.094 30.839 29.700 0.075 0.000 1.230 40 E HN 0.142 nan 8.360 nan 0.000 0.442 41 L N 4.621 125.875 121.223 0.051 0.000 2.281 41 L HA 0.342 4.682 4.340 -0.000 0.000 0.285 41 L C -2.131 174.761 176.870 0.038 0.000 1.074 41 L CA -1.858 53.009 54.840 0.044 0.000 0.817 41 L CB 0.768 42.853 42.059 0.043 0.000 1.168 41 L HN 0.362 nan 8.230 nan 0.000 0.434 42 P HA 0.056 nan 4.420 nan 0.000 0.262 42 P C -0.679 176.635 177.300 0.024 0.000 1.199 42 P CA -0.258 62.860 63.100 0.031 0.000 0.763 42 P CB 0.615 32.334 31.700 0.032 0.000 0.790 43 A N 3.635 126.467 122.820 0.020 0.000 2.462 43 A HA 0.136 4.456 4.320 -0.000 0.000 0.243 43 A C 0.402 177.996 177.584 0.017 0.000 1.076 43 A CA -0.214 51.833 52.037 0.017 0.000 0.773 43 A CB -0.055 18.953 19.000 0.012 0.000 1.010 43 A HN 0.646 nan 8.150 nan 0.000 0.493 44 E N 2.207 122.417 120.200 0.016 0.000 2.207 44 E HA 0.209 4.559 4.350 -0.000 0.000 0.250 44 E C -0.501 176.108 176.600 0.015 0.000 0.890 44 E CA -0.627 55.782 56.400 0.015 0.000 0.749 44 E CB 0.600 30.309 29.700 0.014 0.000 1.193 44 E HN 0.750 nan 8.360 nan 0.000 0.423 45 E N 3.197 123.407 120.200 0.016 0.000 2.354 45 E HA 0.277 4.627 4.350 -0.000 0.000 0.269 45 E C 0.316 176.928 176.600 0.020 0.000 1.036 45 E CA -0.576 55.834 56.400 0.017 0.000 0.876 45 E CB 1.113 30.824 29.700 0.019 0.000 1.009 45 E HN 0.479 nan 8.360 nan 0.000 0.416 46 G N 2.271 111.082 108.800 0.019 0.000 2.699 46 G HA2 0.087 4.047 3.960 -0.000 0.000 0.246 46 G HA3 0.087 4.047 3.960 -0.000 0.000 0.246 46 G C -0.370 174.548 174.900 0.030 0.000 1.219 46 G CA -0.702 44.410 45.100 0.020 0.000 0.866 46 G HN 0.472 nan 8.290 nan 0.000 0.572 47 K N 0.473 120.892 120.400 0.032 0.000 2.527 47 K HA 0.185 4.505 4.320 -0.000 0.000 0.278 47 K C 1.142 177.778 176.600 0.061 0.000 0.981 47 K CA 0.211 56.527 56.287 0.047 0.000 1.009 47 K CB 0.420 32.945 32.500 0.042 0.000 0.895 47 K HN 0.611 nan 8.250 nan 0.000 0.493 48 S N 2.205 117.956 115.700 0.085 0.000 2.587 48 S HA -0.020 4.449 4.470 -0.000 0.000 0.260 48 S C 1.092 175.766 174.600 0.123 0.000 1.353 48 S CA -0.683 57.581 58.200 0.105 0.000 0.995 48 S CB 0.443 63.722 63.200 0.132 0.000 0.912 48 S HN 0.580 nan 8.310 nan 0.000 0.568 49 L N 0.901 122.202 121.223 0.131 0.000 2.127 49 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 49 L C 2.023 178.991 176.870 0.163 0.000 1.089 49 L CA 1.686 56.603 54.840 0.128 0.000 0.757 49 L CB -0.831 41.305 42.059 0.128 0.000 0.899 49 L HN 0.902 nan 8.230 nan 0.000 0.434 50 W N 0.240 121.565 121.300 0.041 0.000 2.418 50 W HA -0.126 4.534 4.660 -0.000 0.000 0.292 50 W C 1.939 178.491 176.519 0.054 0.000 1.213 50 W CA 1.211 58.585 57.345 0.048 0.000 1.283 50 W CB 0.086 29.569 29.460 0.038 0.000 1.119 50 W HN 0.207 nan 8.180 nan 0.000 0.542 51 E N 1.128 121.432 120.200 0.173 0.000 2.047 51 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 51 E C 2.351 178.937 176.600 -0.023 0.000 0.987 51 E CA 1.275 57.725 56.400 0.082 0.000 0.799 51 E CB -1.038 28.739 29.700 0.127 0.000 0.752 51 E HN 0.376 nan 8.360 nan 0.000 0.449 52 L N 0.653 121.874 121.223 -0.002 0.000 1.997 52 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 52 L C 2.585 179.414 176.870 -0.068 0.000 1.074 52 L CA 1.300 56.127 54.840 -0.021 0.000 0.763 52 L CB -0.752 41.308 42.059 0.002 0.000 0.890 52 L HN 0.015 nan 8.230 nan 0.000 0.434 53 V N -0.239 119.611 119.914 -0.107 0.000 2.223 53 V HA -0.317 3.803 4.120 -0.000 0.000 0.244 53 V C 2.377 178.415 176.094 -0.092 0.000 1.045 53 V CA 1.744 63.966 62.300 -0.129 0.000 1.000 53 V CB -0.532 31.186 31.823 -0.174 0.000 0.635 53 V HN 0.270 nan 8.190 nan 0.000 0.445 54 I N 0.325 120.779 120.570 -0.193 0.000 2.185 54 I HA -0.292 3.878 4.170 -0.000 0.000 0.246 54 I C 2.545 178.676 176.117 0.024 0.000 1.088 54 I CA 1.736 62.989 61.300 -0.078 0.000 1.347 54 I CB -1.475 36.415 38.000 -0.184 0.000 1.041 54 I HN 0.511 nan 8.210 nan 0.000 0.415 55 E N 0.063 120.248 120.200 -0.025 0.000 2.267 55 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 55 E C 2.123 178.697 176.600 -0.045 0.000 0.998 55 E CA 0.680 57.071 56.400 -0.015 0.000 0.830 55 E CB -0.044 29.645 29.700 -0.019 0.000 0.751 55 E HN 0.544 nan 8.360 nan 0.000 0.491 56 Q N -0.528 119.206 119.800 -0.109 0.000 2.119 56 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 56 Q C 1.753 177.553 176.000 -0.334 0.000 0.972 56 Q CA 1.154 56.797 55.803 -0.267 0.000 0.847 56 Q CB -0.083 28.382 28.738 -0.454 0.000 0.903 56 Q HN 0.354 nan 8.270 nan 0.000 0.433 57 F N 1.005 120.918 119.950 -0.062 0.000 2.569 57 F HA 0.047 4.574 4.527 -0.000 0.000 0.295 57 F C 1.938 177.718 175.800 -0.033 0.000 1.115 57 F CA 0.213 58.184 58.000 -0.049 0.000 1.450 57 F CB -0.002 38.959 39.000 -0.065 0.000 1.107 57 F HN 0.081 nan 8.300 nan 0.000 0.563 58 E N 0.103 120.369 120.200 0.111 0.000 2.301 58 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 58 E C 0.457 177.084 176.600 0.046 0.000 1.017 58 E CA 1.125 57.564 56.400 0.065 0.000 0.831 58 E CB -0.491 29.230 29.700 0.034 0.000 0.742 58 E HN 0.324 nan 8.360 nan 0.000 0.491 59 D N -0.030 120.390 120.400 0.032 0.000 2.425 59 D HA -0.045 4.595 4.640 -0.000 0.000 0.247 59 D C 0.772 177.093 176.300 0.034 0.000 1.147 59 D CA -0.195 53.818 54.000 0.022 0.000 0.879 59 D CB 0.956 41.758 40.800 0.003 0.000 1.179 59 D HN -0.141 nan 8.370 nan 0.000 0.456 60 L N 4.776 126.011 121.223 0.021 0.000 1.970 60 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 60 L C 1.926 178.801 176.870 0.009 0.000 1.071 60 L CA 1.694 56.541 54.840 0.011 0.000 0.751 60 L CB -0.652 41.403 42.059 -0.006 0.000 0.889 60 L HN 0.710 nan 8.230 nan 0.000 0.432 61 L N -1.331 119.894 121.223 0.004 0.000 2.189 61 L HA -0.236 4.104 4.340 -0.000 0.000 0.214 61 L C 2.297 179.183 176.870 0.025 0.000 1.097 61 L CA 0.968 55.810 54.840 0.002 0.000 0.764 61 L CB -0.558 41.509 42.059 0.013 0.000 0.900 61 L HN 0.217 nan 8.230 nan 0.000 0.436 62 V N -0.713 119.226 119.914 0.041 0.000 2.591 62 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 62 V C 2.358 178.527 176.094 0.126 0.000 1.053 62 V CA 1.291 63.639 62.300 0.079 0.000 1.068 62 V CB -0.467 31.393 31.823 0.063 0.000 0.689 62 V HN 0.408 nan 8.190 nan 0.000 0.462 63 R N -0.423 120.132 120.500 0.092 0.000 2.240 63 R HA 0.188 4.528 4.340 -0.000 0.000 0.203 63 R C 2.018 178.340 176.300 0.036 0.000 1.011 63 R CA 0.816 56.960 56.100 0.073 0.000 1.007 63 R CB -0.070 30.262 30.300 0.053 0.000 0.911 63 R HN 0.451 nan 8.270 nan 0.000 0.468 64 I N 0.093 120.678 120.570 0.024 0.000 2.703 64 I HA -0.147 4.023 4.170 -0.000 0.000 0.259 64 I C 1.782 177.906 176.117 0.012 0.000 1.151 64 I CA 0.496 61.797 61.300 0.003 0.000 1.470 64 I CB 0.097 38.085 38.000 -0.019 0.000 1.112 64 I HN 0.082 nan 8.210 nan 0.000 0.437 65 L N 0.227 121.468 121.223 0.030 0.000 2.554 65 L HA -0.005 4.335 4.340 -0.000 0.000 0.226 65 L C 1.780 178.683 176.870 0.054 0.000 1.137 65 L CA 1.202 56.065 54.840 0.039 0.000 0.863 65 L CB -0.047 42.039 42.059 0.045 0.000 0.985 65 L HN 0.144 nan 8.230 nan 0.000 0.451 66 L N -1.797 119.459 121.223 0.056 0.000 2.253 66 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 66 L C 2.001 178.887 176.870 0.027 0.000 1.078 66 L CA 1.054 55.921 54.840 0.044 0.000 0.805 66 L CB -0.381 41.694 42.059 0.028 0.000 0.963 66 L HN 0.270 nan 8.230 nan 0.000 0.459 67 L N 0.330 121.566 121.223 0.022 0.000 2.017 67 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 67 L C 2.439 179.332 176.870 0.040 0.000 1.073 67 L CA 2.191 57.044 54.840 0.022 0.000 0.745 67 L CB -1.070 40.993 42.059 0.007 0.000 0.894 67 L HN 0.233 nan 8.230 nan 0.000 0.432 68 A N -0.572 122.268 122.820 0.032 0.000 2.019 68 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 68 A C 2.419 180.046 177.584 0.073 0.000 1.164 68 A CA 1.514 53.575 52.037 0.040 0.000 0.644 68 A CB -1.029 17.984 19.000 0.021 0.000 0.805 68 A HN 0.595 nan 8.150 nan 0.000 0.449 69 A N -1.091 121.775 122.820 0.076 0.000 1.930 69 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 69 A C 2.260 179.934 177.584 0.151 0.000 1.175 69 A CA 1.579 53.679 52.037 0.105 0.000 0.627 69 A CB -1.074 17.977 19.000 0.084 0.000 0.815 69 A HN 0.585 nan 8.150 nan 0.000 0.443 70 C N -0.643 118.730 119.300 0.123 0.000 2.476 70 C HA 0.009 4.469 4.460 -0.000 0.000 0.278 70 C C 2.490 177.611 174.990 0.219 0.000 1.274 70 C CA 0.803 59.913 59.018 0.155 0.000 1.713 70 C CB -1.235 26.561 27.740 0.094 0.000 2.039 70 C HN 0.628 nan 8.230 nan 0.000 0.484 71 I N 1.052 121.729 120.570 0.179 0.000 2.567 71 I HA -0.163 4.007 4.170 -0.000 0.000 0.257 71 I C 2.533 178.764 176.117 0.189 0.000 1.184 71 I CA 1.442 62.866 61.300 0.207 0.000 1.451 71 I CB -0.475 37.648 38.000 0.204 0.000 1.089 71 I HN 0.324 nan 8.210 nan 0.000 0.441 72 S N 0.059 115.859 115.700 0.168 0.000 2.489 72 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 72 S C 1.693 176.364 174.600 0.119 0.000 0.995 72 S CA 0.660 58.932 58.200 0.120 0.000 0.934 72 S CB -0.133 63.130 63.200 0.106 0.000 0.771 72 S HN 0.470 nan 8.310 nan 0.000 0.522 73 F N 0.645 120.646 119.950 0.085 0.000 2.622 73 F HA 0.315 4.842 4.527 -0.000 0.000 0.288 73 F C 1.801 177.760 175.800 0.264 0.000 1.120 73 F CA 0.311 58.385 58.000 0.123 0.000 1.423 73 F CB 0.092 39.215 39.000 0.205 0.000 1.127 73 F HN 0.020 nan 8.300 nan 0.000 0.588 74 V N 0.693 120.875 119.914 0.448 0.000 2.427 74 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 74 V C 1.814 178.152 176.094 0.406 0.000 1.051 74 V CA 1.521 64.054 62.300 0.388 0.000 1.048 74 V CB -0.535 31.438 31.823 0.250 0.000 0.666 74 V HN 0.258 nan 8.190 nan 0.000 0.456 75 L N -0.094 121.293 121.223 0.273 0.000 2.685 75 L HA 0.317 4.657 4.340 -0.000 0.000 0.233 75 L C 2.010 178.994 176.870 0.190 0.000 1.173 75 L CA 0.359 55.359 54.840 0.267 0.000 0.961 75 L CB -0.201 41.880 42.059 0.038 0.000 1.217 75 L HN 0.259 nan 8.230 nan 0.000 0.478 76 A N -0.943 121.865 122.820 -0.021 0.000 2.208 76 A HA -0.043 4.277 4.320 -0.000 0.000 0.209 76 A C 1.489 178.772 177.584 -0.503 0.000 1.161 76 A CA 0.267 51.917 52.037 -0.644 0.000 0.782 76 A CB -0.295 17.689 19.000 -1.693 0.000 0.816 76 A HN 0.502 nan 8.150 nan 0.000 0.477 77 W N -0.683 120.529 121.300 -0.146 0.000 2.480 77 W HA 0.223 4.883 4.660 -0.000 0.000 0.299 77 W C 0.051 176.520 176.519 -0.083 0.000 1.187 77 W CA -0.027 57.285 57.345 -0.055 0.000 1.347 77 W CB -0.814 28.541 29.460 -0.175 0.000 1.121 77 W HN 0.202 nan 8.180 nan 0.000 0.533 78 F N 2.762 122.837 119.950 0.208 0.000 2.531 78 F HA 0.143 4.670 4.527 -0.000 0.000 0.340 78 F C 0.518 176.357 175.800 0.066 0.000 1.247 78 F CA 0.327 58.396 58.000 0.115 0.000 1.027 78 F CB -0.889 38.156 39.000 0.075 0.000 1.241 78 F HN -0.085 nan 8.300 nan 0.000 0.622 79 E N 2.043 122.344 120.200 0.169 0.000 2.388 79 E HA 0.206 4.556 4.350 -0.000 0.000 0.281 79 E C -1.032 175.617 176.600 0.083 0.000 1.046 79 E CA -0.851 55.617 56.400 0.114 0.000 0.825 79 E CB 1.523 31.268 29.700 0.075 0.000 1.243 79 E HN 0.380 nan 8.360 nan 0.000 0.438 80 E N 1.622 121.866 120.200 0.073 0.000 2.961 80 E HA 0.352 4.702 4.350 -0.000 0.000 0.254 80 E C 0.597 177.223 176.600 0.043 0.000 1.192 80 E CA -0.073 56.361 56.400 0.058 0.000 1.069 80 E CB 0.257 29.994 29.700 0.062 0.000 1.338 80 E HN 0.581 nan 8.360 nan 0.000 0.596 81 G N -0.605 108.217 108.800 0.036 0.000 3.042 81 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.212 81 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.212 81 G C 1.121 176.037 174.900 0.025 0.000 1.166 81 G CA 0.534 45.649 45.100 0.024 0.000 0.767 81 G HN 0.647 nan 8.290 nan 0.000 0.546 82 E N 0.462 120.683 120.200 0.036 0.000 2.150 82 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 82 E C 1.115 177.735 176.600 0.032 0.000 0.985 82 E CA 1.020 57.442 56.400 0.037 0.000 0.814 82 E CB -0.092 29.640 29.700 0.052 0.000 0.752 82 E HN 0.443 nan 8.360 nan 0.000 0.466 83 E N -0.014 120.207 120.200 0.034 0.000 2.968 83 E HA 0.056 4.406 4.350 -0.000 0.000 0.202 83 E C 0.204 176.816 176.600 0.020 0.000 0.979 83 E CA -0.019 56.397 56.400 0.027 0.000 1.192 83 E CB 1.013 30.733 29.700 0.035 0.000 1.059 83 E HN 0.063 nan 8.360 nan 0.000 0.470 84 T N 0.260 114.824 114.554 0.018 0.000 3.227 84 T HA 0.064 4.414 4.350 -0.000 0.000 0.257 84 T C 1.325 176.023 174.700 -0.003 0.000 1.162 84 T CA 0.526 62.633 62.100 0.011 0.000 1.051 84 T CB -0.208 68.663 68.868 0.006 0.000 0.953 84 T HN 0.313 nan 8.240 nan 0.000 0.535 85 I N 1.105 121.673 120.570 -0.004 0.000 3.427 85 I HA 0.139 4.309 4.170 -0.000 0.000 0.288 85 I C 0.103 176.210 176.117 -0.018 0.000 1.249 85 I CA 0.706 61.997 61.300 -0.016 0.000 1.421 85 I CB 0.473 38.464 38.000 -0.014 0.000 1.086 85 I HN 0.310 nan 8.210 nan 0.000 0.448 86 T N -2.319 112.232 114.554 -0.005 0.000 3.160 86 T HA 0.616 4.965 4.350 -0.000 0.000 0.346 86 T C -0.056 174.651 174.700 0.012 0.000 1.027 86 T CA -0.182 61.915 62.100 -0.006 0.000 1.287 86 T CB 1.225 70.076 68.868 -0.028 0.000 0.997 86 T HN 0.034 nan 8.240 nan 0.000 0.518 87 A N 1.509 124.370 122.820 0.068 0.000 2.211 87 A HA 0.579 4.899 4.320 -0.000 0.000 0.208 87 A C 0.561 178.104 177.584 -0.068 0.000 1.250 87 A CA -0.172 51.888 52.037 0.038 0.000 0.935 87 A CB 0.060 19.125 19.000 0.108 0.000 0.982 87 A HN 0.629 nan 8.150 nan 0.000 0.490 88 F N -0.409 119.454 119.950 -0.146 0.000 2.735 88 F HA 0.244 4.770 4.527 -0.000 0.000 0.304 88 F C 1.354 177.144 175.800 -0.016 0.000 1.119 88 F CA -0.316 57.607 58.000 -0.128 0.000 1.280 88 F CB 0.544 39.418 39.000 -0.210 0.000 0.994 88 F HN -0.022 nan 8.300 nan 0.000 0.520 89 V N -0.491 119.484 119.914 0.102 0.000 2.809 89 V HA -0.188 3.932 4.120 -0.000 0.000 0.256 89 V C 2.243 178.413 176.094 0.127 0.000 1.080 89 V CA 1.837 64.190 62.300 0.088 0.000 1.102 89 V CB -0.235 31.567 31.823 -0.034 0.000 0.705 89 V HN 0.443 nan 8.190 nan 0.000 0.475 90 E N 0.748 120.992 120.200 0.073 0.000 2.042 90 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 90 E C -0.547 176.137 176.600 0.141 0.000 0.974 90 E CA 0.711 57.152 56.400 0.069 0.000 0.806 90 E CB -0.533 29.177 29.700 0.017 0.000 0.769 90 E HN 0.425 nan 8.360 nan 0.000 0.451 91 P HA -0.097 nan 4.420 nan 0.000 0.229 91 P C 0.483 178.006 177.300 0.372 0.000 1.150 91 P CA 0.800 64.079 63.100 0.298 0.000 0.765 91 P CB -0.075 31.875 31.700 0.417 0.000 0.783 92 F N -0.225 119.830 119.950 0.174 0.000 2.164 92 F HA -0.048 4.479 4.527 -0.000 0.000 0.287 92 F C 1.909 177.773 175.800 0.106 0.000 1.086 92 F CA 0.996 59.085 58.000 0.148 0.000 1.249 92 F CB -0.732 38.342 39.000 0.122 0.000 1.059 92 F HN -0.376 nan 8.300 nan 0.000 0.490 93 V N 0.893 120.812 119.914 0.008 0.000 2.913 93 V HA -0.211 3.909 4.120 -0.000 0.000 0.260 93 V C 2.228 178.292 176.094 -0.050 0.000 1.098 93 V CA 1.448 63.688 62.300 -0.100 0.000 1.121 93 V CB -0.833 31.022 31.823 0.053 0.000 0.714 93 V HN 0.441 nan 8.190 nan 0.000 0.487 94 I N -0.451 120.128 120.570 0.015 0.000 2.406 94 I HA -0.065 4.105 4.170 -0.000 0.000 0.249 94 I C 1.825 177.956 176.117 0.024 0.000 1.122 94 I CA 1.509 62.831 61.300 0.037 0.000 1.431 94 I CB 0.038 38.083 38.000 0.075 0.000 1.087 94 I HN 0.271 nan 8.210 nan 0.000 0.424 95 L N -0.813 120.413 121.223 0.005 0.000 2.554 95 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 95 L C 1.764 178.601 176.870 -0.055 0.000 1.104 95 L CA 0.806 55.653 54.840 0.011 0.000 0.866 95 L CB -0.234 41.845 42.059 0.034 0.000 1.047 95 L HN 0.257 nan 8.230 nan 0.000 0.468 96 L N -1.118 119.995 121.223 -0.185 0.000 2.044 96 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 96 L C 2.166 178.960 176.870 -0.126 0.000 1.075 96 L CA 1.085 55.763 54.840 -0.270 0.000 0.747 96 L CB -0.072 41.668 42.059 -0.531 0.000 0.903 96 L HN 0.171 nan 8.230 nan 0.000 0.435 97 I N -0.026 120.493 120.570 -0.085 0.000 2.315 97 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 97 I C 2.566 178.668 176.117 -0.025 0.000 1.117 97 I CA 1.278 62.550 61.300 -0.046 0.000 1.404 97 I CB -1.115 36.870 38.000 -0.026 0.000 1.071 97 I HN 0.331 nan 8.210 nan 0.000 0.419 98 L N 0.495 121.728 121.223 0.016 0.000 1.989 98 L HA -0.219 4.120 4.340 -0.000 0.000 0.211 98 L C 2.445 179.350 176.870 0.058 0.000 1.071 98 L CA 1.674 56.560 54.840 0.077 0.000 0.749 98 L CB -0.385 41.806 42.059 0.221 0.000 0.890 98 L HN 0.136 nan 8.230 nan 0.000 0.431 99 I N -0.847 119.780 120.570 0.095 0.000 3.111 99 I HA -0.131 4.038 4.170 -0.000 0.000 0.272 99 I C 2.522 178.636 176.117 -0.006 0.000 1.268 99 I CA 0.477 61.830 61.300 0.089 0.000 1.467 99 I CB -0.362 37.692 38.000 0.090 0.000 1.087 99 I HN 0.181 nan 8.210 nan 0.000 0.467 100 A N 1.422 124.222 122.820 -0.034 0.000 1.872 100 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 100 A C 2.097 179.645 177.584 -0.061 0.000 1.187 100 A CA 1.437 53.443 52.037 -0.052 0.000 0.614 100 A CB -0.410 18.557 19.000 -0.056 0.000 0.826 100 A HN 0.351 nan 8.150 nan 0.000 0.442 101 N N 0.367 119.022 118.700 -0.075 0.000 2.250 101 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 101 N C 1.944 177.381 175.510 -0.122 0.000 1.017 101 N CA 1.293 54.291 53.050 -0.085 0.000 0.866 101 N CB -0.533 37.897 38.487 -0.096 0.000 0.985 101 N HN 0.437 nan 8.380 nan 0.000 0.429 102 A N 1.982 124.684 122.820 -0.195 0.000 1.859 102 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 102 A C 2.321 179.835 177.584 -0.117 0.000 1.198 102 A CA 1.173 53.045 52.037 -0.274 0.000 0.629 102 A CB -0.881 17.889 19.000 -0.383 0.000 0.830 102 A HN 0.176 nan 8.150 nan 0.000 0.446 103 I N -0.426 120.108 120.570 -0.060 0.000 2.076 103 I HA -0.260 3.910 4.170 -0.000 0.000 0.237 103 I C 2.406 178.532 176.117 0.016 0.000 1.059 103 I CA 1.651 62.942 61.300 -0.016 0.000 1.317 103 I CB -0.653 37.334 38.000 -0.021 0.000 1.037 103 I HN 0.181 nan 8.210 nan 0.000 0.398 104 V N 1.361 121.275 119.914 0.000 0.000 2.324 104 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 104 V C 2.641 178.834 176.094 0.165 0.000 1.060 104 V CA 2.256 64.601 62.300 0.075 0.000 1.042 104 V CB -1.792 30.046 31.823 0.025 0.000 0.650 104 V HN 0.655 nan 8.190 nan 0.000 0.450 105 G N 0.158 108.990 108.800 0.053 0.000 2.574 105 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 105 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 105 G C 1.551 176.479 174.900 0.047 0.000 1.173 105 G CA 1.507 46.621 45.100 0.022 0.000 0.772 105 G HN 0.454 nan 8.290 nan 0.000 0.585 106 V N -0.810 119.134 119.914 0.050 0.000 3.141 106 V HA -0.042 4.078 4.120 -0.000 0.000 0.265 106 V C 1.960 178.129 176.094 0.125 0.000 1.126 106 V CA 1.059 63.393 62.300 0.057 0.000 1.141 106 V CB -0.472 31.378 31.823 0.044 0.000 0.743 106 V HN 0.631 nan 8.190 nan 0.000 0.492 107 W N 0.626 121.911 121.300 -0.026 0.000 2.937 107 W HA 0.019 4.679 4.660 -0.000 0.000 0.245 107 W C 1.946 178.457 176.519 -0.013 0.000 1.306 107 W CA 0.755 58.091 57.345 -0.015 0.000 1.470 107 W CB 0.136 29.588 29.460 -0.014 0.000 1.132 107 W HN 0.283 nan 8.180 nan 0.000 0.675 108 Q N -1.166 118.599 119.800 -0.059 0.000 2.548 108 Q HA -0.035 4.305 4.340 -0.000 0.000 0.230 108 Q C 1.903 177.827 176.000 -0.127 0.000 0.899 108 Q CA 0.721 56.414 55.803 -0.184 0.000 0.936 108 Q CB -0.101 28.584 28.738 -0.089 0.000 1.114 108 Q HN 0.264 nan 8.270 nan 0.000 0.606 109 E N 1.560 121.724 120.200 -0.060 0.000 2.106 109 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 109 E C 1.929 178.505 176.600 -0.039 0.000 0.984 109 E CA 0.642 57.016 56.400 -0.044 0.000 0.806 109 E CB 0.151 29.836 29.700 -0.025 0.000 0.750 109 E HN 0.040 nan 8.360 nan 0.000 0.458 110 R N 0.635 121.119 120.500 -0.027 0.000 2.328 110 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 110 R C 0.075 176.355 176.300 -0.034 0.000 1.056 110 R CA 0.548 56.641 56.100 -0.012 0.000 1.016 110 R CB -0.127 30.184 30.300 0.018 0.000 0.872 110 R HN -0.037 nan 8.270 nan 0.000 0.471 111 N N 0.519 119.175 118.700 -0.074 0.000 2.955 111 N HA 0.261 5.001 4.740 -0.000 0.000 0.242 111 N C -1.882 173.580 175.510 -0.080 0.000 1.123 111 N CA -0.163 52.830 53.050 -0.095 0.000 0.949 111 N CB 1.352 39.732 38.487 -0.178 0.000 1.214 111 N HN 0.242 nan 8.380 nan 0.000 0.504 112 A N 1.832 124.621 122.820 -0.051 0.000 2.517 112 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 112 A C -0.816 176.752 177.584 -0.027 0.000 1.050 112 A CA -0.806 51.206 52.037 -0.041 0.000 0.694 112 A CB 0.962 19.941 19.000 -0.035 0.000 1.277 112 A HN 0.525 nan 8.150 nan 0.000 0.400 113 E N 1.049 121.234 120.200 -0.024 0.000 2.366 113 E HA 0.172 4.522 4.350 -0.000 0.000 0.266 113 E C -0.181 176.414 176.600 -0.009 0.000 1.051 113 E CA -0.347 56.043 56.400 -0.016 0.000 0.884 113 E CB 1.048 30.739 29.700 -0.015 0.000 1.006 113 E HN 0.622 nan 8.360 nan 0.000 0.417 114 N N 1.114 119.812 118.700 -0.003 0.000 2.434 114 N HA 0.182 4.922 4.740 -0.000 0.000 0.272 114 N C 0.361 175.875 175.510 0.007 0.000 1.040 114 N CA -0.221 52.830 53.050 0.002 0.000 0.956 114 N CB 0.958 39.448 38.487 0.005 0.000 1.108 114 N HN 0.541 nan 8.380 nan 0.000 0.481 115 A N 3.984 126.808 122.820 0.008 0.000 1.897 115 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 115 A C 1.764 179.364 177.584 0.026 0.000 1.181 115 A CA 1.021 53.067 52.037 0.015 0.000 0.620 115 A CB -0.328 18.677 19.000 0.008 0.000 0.821 115 A HN 0.746 nan 8.150 nan 0.000 0.443 116 I N 0.431 121.014 120.570 0.021 0.000 2.394 116 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 116 I C 2.276 178.414 176.117 0.034 0.000 1.136 116 I CA 1.052 62.368 61.300 0.028 0.000 1.425 116 I CB -0.409 37.603 38.000 0.021 0.000 1.079 116 I HN 0.268 nan 8.210 nan 0.000 0.425 117 E N 0.936 121.150 120.200 0.024 0.000 2.023 117 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 117 E C 2.450 179.065 176.600 0.025 0.000 1.003 117 E CA 1.664 58.076 56.400 0.019 0.000 0.809 117 E CB -0.616 29.090 29.700 0.009 0.000 0.755 117 E HN 0.499 nan 8.360 nan 0.000 0.449 118 A N 1.408 124.247 122.820 0.031 0.000 1.917 118 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 118 A C 2.280 179.927 177.584 0.105 0.000 1.182 118 A CA 1.536 53.598 52.037 0.043 0.000 0.633 118 A CB -0.673 18.359 19.000 0.053 0.000 0.819 118 A HN 0.228 nan 8.150 nan 0.000 0.448 119 L N -0.203 121.099 121.223 0.132 0.000 2.046 119 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 119 L C 2.040 179.045 176.870 0.225 0.000 1.077 119 L CA 2.131 57.098 54.840 0.212 0.000 0.747 119 L CB -0.407 41.714 42.059 0.104 0.000 0.896 119 L HN 0.337 nan 8.230 nan 0.000 0.432 120 K N -0.288 120.179 120.400 0.110 0.000 2.574 120 K HA -0.101 4.218 4.320 -0.000 0.000 0.193 120 K C 1.484 178.109 176.600 0.041 0.000 1.035 120 K CA 0.697 57.031 56.287 0.079 0.000 0.982 120 K CB -0.102 32.424 32.500 0.043 0.000 0.795 120 K HN 0.498 nan 8.250 nan 0.000 0.491 121 E N -0.272 119.921 120.200 -0.012 0.000 2.478 121 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 121 E C 0.484 176.915 176.600 -0.282 0.000 1.046 121 E CA 0.700 57.002 56.400 -0.163 0.000 0.870 121 E CB 0.116 29.662 29.700 -0.257 0.000 0.818 121 E HN 0.449 nan 8.360 nan 0.000 0.527 122 Y N 0.819 121.123 120.300 0.006 0.000 2.457 122 Y HA 0.140 4.690 4.550 -0.000 0.000 0.263 122 Y C 0.441 176.349 175.900 0.012 0.000 1.164 122 Y CA -0.018 58.087 58.100 0.009 0.000 1.274 122 Y CB 0.535 39.001 38.460 0.010 0.000 1.097 122 Y HN -0.125 nan 8.280 nan 0.000 0.523 123 E N 3.421 123.684 120.200 0.106 0.000 2.152 123 E HA 0.134 4.484 4.350 -0.000 0.000 0.285 123 E C -2.274 174.348 176.600 0.037 0.000 1.043 123 E CA -2.103 54.341 56.400 0.073 0.000 0.839 123 E CB 0.607 30.342 29.700 0.059 0.000 1.069 123 E HN 0.062 nan 8.360 nan 0.000 0.399 124 P HA -0.014 nan 4.420 nan 0.000 0.274 124 P C 0.137 177.446 177.300 0.015 0.000 1.231 124 P CA 0.035 63.147 63.100 0.020 0.000 0.790 124 P CB 1.280 32.995 31.700 0.024 0.000 0.951 125 E N 1.333 121.537 120.200 0.006 0.000 2.112 125 E HA -0.023 4.326 4.350 -0.000 0.000 0.190 125 E C 0.160 176.765 176.600 0.008 0.000 0.979 125 E CA 0.755 57.159 56.400 0.005 0.000 0.814 125 E CB 0.114 29.813 29.700 -0.002 0.000 0.762 125 E HN 0.321 nan 8.360 nan 0.000 0.460 126 M N 0.259 119.863 119.600 0.006 0.000 2.598 126 M HA 0.515 4.995 4.480 -0.000 0.000 0.317 126 M C 0.188 176.491 176.300 0.006 0.000 1.179 126 M CA -0.634 54.669 55.300 0.004 0.000 0.936 126 M CB 1.541 34.140 32.600 -0.001 0.000 1.713 126 M HN 0.065 nan 8.290 nan 0.000 0.460 127 G N 1.195 109.997 108.800 0.002 0.000 2.733 127 G HA2 0.762 4.722 3.960 -0.000 0.000 0.288 127 G HA3 0.762 4.722 3.960 -0.000 0.000 0.288 127 G C -1.507 173.388 174.900 -0.009 0.000 1.373 127 G CA -0.701 44.399 45.100 0.002 0.000 0.895 127 G HN 0.554 nan 8.290 nan 0.000 0.479 128 K N 0.085 120.481 120.400 -0.007 0.000 2.463 128 K HA 0.590 4.909 4.320 -0.000 0.000 0.255 128 K C -0.550 176.044 176.600 -0.010 0.000 0.942 128 K CA -0.698 55.573 56.287 -0.027 0.000 0.814 128 K CB 2.384 34.870 32.500 -0.023 0.000 1.122 128 K HN 0.568 nan 8.250 nan 0.000 0.425 129 V N -0.444 119.441 119.914 -0.048 0.000 3.126 129 V HA 0.589 4.709 4.120 -0.000 0.000 0.314 129 V C -1.438 174.608 176.094 -0.080 0.000 1.138 129 V CA -0.905 61.401 62.300 0.010 0.000 1.034 129 V CB 1.448 33.279 31.823 0.013 0.000 1.075 129 V HN 0.621 nan 8.190 nan 0.000 0.442 130 Y N 1.546 121.840 120.300 -0.010 0.000 2.447 130 Y HA 0.698 5.247 4.550 -0.000 0.000 0.325 130 Y C 0.393 176.291 175.900 -0.003 0.000 0.976 130 Y CA -0.641 57.456 58.100 -0.005 0.000 1.280 130 Y CB 1.287 39.745 38.460 -0.004 0.000 1.104 130 Y HN 0.492 nan 8.280 nan 0.000 0.486 131 R N 1.301 121.850 120.500 0.082 0.000 2.474 131 R HA 0.508 4.848 4.340 -0.000 0.000 0.295 131 R C 0.876 177.214 176.300 0.062 0.000 0.980 131 R CA -0.237 55.900 56.100 0.061 0.000 0.934 131 R CB 1.554 31.870 30.300 0.026 0.000 1.101 131 R HN 0.788 nan 8.270 nan 0.000 0.469 132 A N 1.572 124.426 122.820 0.056 0.000 2.131 132 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 132 A C 1.636 179.240 177.584 0.034 0.000 1.158 132 A CA 1.890 53.955 52.037 0.047 0.000 0.665 132 A CB -0.412 18.610 19.000 0.037 0.000 0.795 132 A HN 0.801 nan 8.150 nan 0.000 0.460 133 D N -0.260 120.155 120.400 0.026 0.000 2.203 133 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 133 D C 1.033 177.340 176.300 0.012 0.000 0.997 133 D CA 1.704 55.713 54.000 0.015 0.000 0.863 133 D CB 0.060 40.865 40.800 0.009 0.000 0.928 133 D HN 0.740 nan 8.370 nan 0.000 0.458 134 R N -3.046 117.464 120.500 0.016 0.000 2.728 134 R HA 0.261 4.601 4.340 -0.000 0.000 0.274 134 R C 0.275 176.590 176.300 0.026 0.000 1.030 134 R CA -0.841 55.267 56.100 0.012 0.000 0.876 134 R CB 0.638 30.935 30.300 -0.005 0.000 1.259 134 R HN -0.281 nan 8.270 nan 0.000 0.468 135 K N 1.271 121.688 120.400 0.027 0.000 1.984 135 K HA -0.009 4.310 4.320 -0.000 0.000 0.209 135 K C 0.628 177.262 176.600 0.056 0.000 1.046 135 K CA 2.092 58.410 56.287 0.051 0.000 0.934 135 K CB -0.384 32.140 32.500 0.040 0.000 0.717 135 K HN 0.666 nan 8.250 nan 0.000 0.438 136 S N -0.044 115.654 115.700 -0.003 0.000 2.603 136 S HA 0.164 4.634 4.470 -0.000 0.000 0.268 136 S C 0.194 174.656 174.600 -0.230 0.000 1.317 136 S CA -0.735 57.430 58.200 -0.058 0.000 1.012 136 S CB 1.270 64.441 63.200 -0.048 0.000 0.926 136 S HN 0.142 nan 8.310 nan 0.000 0.539 137 V N 2.125 121.770 119.914 -0.449 0.000 2.599 137 V HA 0.169 4.289 4.120 -0.000 0.000 0.300 137 V C -0.169 175.717 176.094 -0.346 0.000 1.034 137 V CA 0.297 62.150 62.300 -0.745 0.000 1.115 137 V CB 0.204 31.550 31.823 -0.794 0.000 0.934 137 V HN 0.973 nan 8.190 nan 0.000 0.485 138 Q N 5.883 125.512 119.800 -0.286 0.000 2.245 138 Q HA 0.560 4.899 4.340 -0.000 0.000 0.256 138 Q C -0.764 175.169 176.000 -0.113 0.000 0.942 138 Q CA -0.518 55.196 55.803 -0.148 0.000 0.896 138 Q CB 1.847 30.524 28.738 -0.101 0.000 1.272 138 Q HN 0.702 nan 8.270 nan 0.000 0.442 139 R N 2.584 123.040 120.500 -0.073 0.000 2.239 139 R HA 0.455 4.795 4.340 -0.000 0.000 0.332 139 R C -0.298 175.984 176.300 -0.030 0.000 0.988 139 R CA -0.194 55.877 56.100 -0.048 0.000 0.859 139 R CB 0.407 30.683 30.300 -0.039 0.000 1.148 139 R HN 0.612 nan 8.270 nan 0.000 0.482 140 I N -2.135 118.423 120.570 -0.020 0.000 3.264 140 I HA 0.545 4.715 4.170 -0.000 0.000 0.309 140 I C -0.466 175.654 176.117 0.004 0.000 1.099 140 I CA -1.458 59.839 61.300 -0.006 0.000 0.989 140 I CB 1.451 39.451 38.000 -0.001 0.000 1.250 140 I HN 0.062 nan 8.210 nan 0.000 0.478 141 K N 2.157 122.566 120.400 0.015 0.000 2.416 141 K HA 0.212 4.532 4.320 -0.000 0.000 0.283 141 K C 0.860 177.479 176.600 0.031 0.000 1.037 141 K CA 0.479 56.779 56.287 0.022 0.000 0.995 141 K CB 1.212 33.729 32.500 0.028 0.000 0.938 141 K HN 0.815 nan 8.250 nan 0.000 0.475 142 A N 4.885 127.721 122.820 0.027 0.000 1.903 142 A HA -0.274 4.045 4.320 -0.000 0.000 0.219 142 A C 1.922 179.535 177.584 0.049 0.000 1.191 142 A CA 2.102 54.157 52.037 0.030 0.000 0.638 142 A CB -0.429 18.587 19.000 0.027 0.000 0.823 142 A HN 0.846 nan 8.150 nan 0.000 0.451 143 R N -0.880 119.659 120.500 0.065 0.000 2.303 143 R HA -0.117 4.222 4.340 -0.000 0.000 0.225 143 R C 0.090 176.495 176.300 0.175 0.000 1.114 143 R CA 1.640 57.806 56.100 0.110 0.000 1.007 143 R CB -0.526 29.829 30.300 0.092 0.000 0.861 143 R HN 0.308 nan 8.270 nan 0.000 0.471 144 D N 0.682 121.157 120.400 0.126 0.000 2.349 144 D HA 0.199 4.838 4.640 -0.000 0.000 0.214 144 D C 0.419 176.748 176.300 0.048 0.000 1.063 144 D CA 0.117 54.188 54.000 0.118 0.000 0.847 144 D CB 0.219 41.076 40.800 0.095 0.000 0.933 144 D HN 0.258 nan 8.370 nan 0.000 0.513 145 I N 1.261 121.851 120.570 0.033 0.000 2.519 145 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 145 I C 0.458 176.563 176.117 -0.020 0.000 1.047 145 I CA -0.595 60.705 61.300 -0.000 0.000 1.381 145 I CB 1.328 39.322 38.000 -0.009 0.000 1.417 145 I HN -0.245 nan 8.210 nan 0.000 0.540 146 V N 3.272 123.158 119.914 -0.046 0.000 3.102 146 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 146 V C -2.809 173.148 176.094 -0.229 0.000 1.135 146 V CA -2.774 59.481 62.300 -0.075 0.000 1.022 146 V CB 1.518 33.368 31.823 0.044 0.000 1.056 146 V HN 0.445 nan 8.190 nan 0.000 0.436 147 P HA 0.342 nan 4.420 nan 0.000 0.265 147 P C 0.981 177.688 177.300 -0.989 0.000 1.187 147 P CA 2.125 64.826 63.100 -0.664 0.000 0.766 147 P CB 0.779 31.997 31.700 -0.803 0.000 0.820 148 G N 1.503 109.430 108.800 -1.456 0.000 2.241 148 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 148 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 148 G C 0.228 174.855 174.900 -0.456 0.000 0.998 148 G CA -0.214 44.102 45.100 -1.306 0.000 0.621 148 G HN 0.520 nan 8.290 nan 0.000 0.519 149 D N 0.549 120.761 120.400 -0.314 0.000 2.423 149 D HA 0.317 4.957 4.640 -0.000 0.000 0.238 149 D C 0.834 177.072 176.300 -0.103 0.000 1.142 149 D CA 0.251 54.174 54.000 -0.129 0.000 0.884 149 D CB 0.496 41.245 40.800 -0.085 0.000 1.199 149 D HN 0.280 nan 8.370 nan 0.000 0.438 150 I N 3.005 123.566 120.570 -0.016 0.000 2.306 150 I HA 0.113 4.283 4.170 -0.000 0.000 0.288 150 I C -0.041 176.125 176.117 0.082 0.000 1.036 150 I CA -0.565 60.741 61.300 0.011 0.000 1.221 150 I CB 1.109 39.124 38.000 0.024 0.000 1.385 150 I HN -0.089 nan 8.210 nan 0.000 0.472 151 V N 6.267 126.204 119.914 0.040 0.000 2.713 151 V HA 0.363 4.483 4.120 -0.000 0.000 0.307 151 V C 0.003 176.151 176.094 0.089 0.000 1.052 151 V CA -0.620 61.720 62.300 0.067 0.000 0.967 151 V CB 2.230 34.059 31.823 0.009 0.000 1.019 151 V HN 0.673 nan 8.190 nan 0.000 0.459 152 E N 1.847 122.119 120.200 0.120 0.000 2.210 152 E HA 0.665 5.015 4.350 -0.000 0.000 0.266 152 E C -1.431 175.206 176.600 0.062 0.000 0.883 152 E CA -0.571 55.899 56.400 0.117 0.000 0.761 152 E CB 2.128 31.967 29.700 0.231 0.000 1.156 152 E HN 0.607 nan 8.360 nan 0.000 0.412 153 V N 0.508 120.446 119.914 0.041 0.000 2.680 153 V HA 1.004 5.124 4.120 -0.000 0.000 0.309 153 V C -0.698 175.413 176.094 0.029 0.000 1.052 153 V CA -0.625 61.691 62.300 0.027 0.000 0.908 153 V CB 1.298 33.128 31.823 0.012 0.000 1.001 153 V HN 0.741 nan 8.190 nan 0.000 0.431 154 A N 2.998 125.834 122.820 0.027 0.000 2.498 154 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 154 A C -0.258 177.340 177.584 0.023 0.000 1.075 154 A CA -0.489 51.564 52.037 0.027 0.000 0.714 154 A CB 1.850 20.868 19.000 0.029 0.000 1.299 154 A HN 2.164 nan 8.150 nan 0.000 0.407 155 V N 1.955 121.884 119.914 0.024 0.000 2.780 155 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 155 V C 1.436 177.542 176.094 0.020 0.000 1.168 155 V CA 2.802 65.115 62.300 0.022 0.000 1.305 155 V CB 0.249 32.086 31.823 0.023 0.000 0.858 155 V HN 2.727 nan 8.190 nan 0.000 0.502 156 G N 4.225 113.037 108.800 0.019 0.000 2.258 156 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.233 156 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.233 156 G C 0.028 174.939 174.900 0.019 0.000 1.006 156 G CA 0.207 45.317 45.100 0.018 0.000 0.620 156 G HN 0.839 nan 8.290 nan 0.000 0.511 157 D N 1.015 121.427 120.400 0.020 0.000 2.414 157 D HA 0.377 5.017 4.640 -0.000 0.000 0.242 157 D C 0.464 176.782 176.300 0.029 0.000 1.129 157 D CA 0.394 54.407 54.000 0.022 0.000 0.885 157 D CB 1.050 41.862 40.800 0.020 0.000 1.198 157 D HN 0.399 nan 8.370 nan 0.000 0.437 158 K N 2.078 122.497 120.400 0.032 0.000 2.292 158 K HA 0.237 4.557 4.320 -0.000 0.000 0.270 158 K C -0.796 175.831 176.600 0.044 0.000 1.062 158 K CA -0.705 55.612 56.287 0.049 0.000 0.916 158 K CB 0.629 33.160 32.500 0.052 0.000 1.166 158 K HN 0.138 nan 8.250 nan 0.000 0.458 159 V N 7.581 127.522 119.914 0.044 0.000 2.644 159 V HA -0.082 4.038 4.120 -0.000 0.000 0.303 159 V C -1.091 175.024 176.094 0.035 0.000 1.058 159 V CA -0.523 61.795 62.300 0.031 0.000 1.228 159 V CB 0.505 32.345 31.823 0.028 0.000 0.861 159 V HN 0.848 nan 8.190 nan 0.000 0.484 160 P HA 0.049 nan 4.420 nan 0.000 0.219 160 P C 0.307 177.616 177.300 0.016 0.000 1.150 160 P CA 1.601 64.712 63.100 0.020 0.000 0.814 160 P CB 0.595 32.301 31.700 0.010 0.000 0.787 161 A N -0.908 121.912 122.820 0.001 0.000 2.557 161 A HA 0.463 4.783 4.320 -0.000 0.000 0.292 161 A C -1.617 175.954 177.584 -0.021 0.000 1.139 161 A CA -0.597 51.436 52.037 -0.006 0.000 0.665 161 A CB 0.095 19.076 19.000 -0.032 0.000 1.285 161 A HN -0.217 nan 8.150 nan 0.000 0.433 162 D N 1.030 121.419 120.400 -0.017 0.000 2.346 162 D HA 0.501 5.140 4.640 -0.000 0.000 0.260 162 D C -0.510 175.722 176.300 -0.114 0.000 1.252 162 D CA 0.983 54.953 54.000 -0.049 0.000 0.895 162 D CB 0.141 40.959 40.800 0.031 0.000 1.097 162 D HN 0.390 nan 8.370 nan 0.000 0.489 163 I N 2.096 122.561 120.570 -0.175 0.000 2.530 163 I HA 0.308 4.478 4.170 -0.000 0.000 0.297 163 I C 0.363 176.373 176.117 -0.177 0.000 1.011 163 I CA -1.089 60.119 61.300 -0.153 0.000 1.107 163 I CB 1.795 39.722 38.000 -0.122 0.000 1.285 163 I HN -0.044 nan 8.210 nan 0.000 0.436 164 R N 6.191 126.622 120.500 -0.115 0.000 2.221 164 R HA 0.481 4.821 4.340 -0.000 0.000 0.327 164 R C -0.781 175.473 176.300 -0.075 0.000 1.033 164 R CA -0.716 55.331 56.100 -0.089 0.000 0.887 164 R CB 0.542 30.820 30.300 -0.037 0.000 1.057 164 R HN 0.562 nan 8.270 nan 0.000 0.455 165 I N 6.304 126.824 120.570 -0.082 0.000 2.533 165 I HA -0.079 4.091 4.170 -0.000 0.000 0.284 165 I C 1.488 177.589 176.117 -0.026 0.000 1.109 165 I CA 0.087 61.352 61.300 -0.058 0.000 1.412 165 I CB 0.711 38.673 38.000 -0.063 0.000 1.396 165 I HN 0.488 nan 8.210 nan 0.000 0.543 166 L N 3.907 125.115 121.223 -0.024 0.000 2.262 166 L HA 0.147 4.487 4.340 -0.000 0.000 0.197 166 L C 0.905 177.769 176.870 -0.010 0.000 1.073 166 L CA 0.723 55.554 54.840 -0.014 0.000 0.800 166 L CB 0.060 42.104 42.059 -0.026 0.000 0.987 166 L HN 0.629 nan 8.230 nan 0.000 0.470 167 S N -0.362 115.327 115.700 -0.018 0.000 2.619 167 S HA 0.498 4.968 4.470 -0.000 0.000 0.280 167 S C -0.853 173.744 174.600 -0.006 0.000 1.150 167 S CA -0.615 57.578 58.200 -0.012 0.000 0.978 167 S CB 1.097 64.280 63.200 -0.028 0.000 1.041 167 S HN 0.098 nan 8.310 nan 0.000 0.485 168 I N 5.887 126.463 120.570 0.009 0.000 2.301 168 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 168 I C 1.009 177.137 176.117 0.017 0.000 1.046 168 I CA -0.722 60.589 61.300 0.017 0.000 1.282 168 I CB 1.161 39.182 38.000 0.034 0.000 1.409 168 I HN 0.589 nan 8.210 nan 0.000 0.484 169 K N 3.449 123.859 120.400 0.016 0.000 2.057 169 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 169 K C 1.088 177.704 176.600 0.028 0.000 1.050 169 K CA 0.782 57.080 56.287 0.018 0.000 0.935 169 K CB -0.331 32.181 32.500 0.020 0.000 0.715 169 K HN 0.698 nan 8.250 nan 0.000 0.439 170 S N -0.182 115.541 115.700 0.038 0.000 2.671 170 S HA 0.153 4.623 4.470 -0.000 0.000 0.272 170 S C 1.300 175.937 174.600 0.062 0.000 1.174 170 S CA -0.408 57.824 58.200 0.053 0.000 1.004 170 S CB 0.742 63.978 63.200 0.060 0.000 1.077 170 S HN 0.129 nan 8.310 nan 0.000 0.553 171 T N 1.133 115.738 114.554 0.085 0.000 2.915 171 T HA 0.110 4.460 4.350 -0.000 0.000 0.269 171 T C 0.860 175.632 174.700 0.120 0.000 1.071 171 T CA 1.428 63.587 62.100 0.098 0.000 1.132 171 T CB -0.635 68.321 68.868 0.147 0.000 0.878 171 T HN 1.004 nan 8.240 nan 0.000 0.479 172 T N -0.829 113.795 114.554 0.117 0.000 2.853 172 T HA 0.612 4.962 4.350 -0.000 0.000 0.311 172 T C -1.799 172.942 174.700 0.069 0.000 1.307 172 T CA -1.072 61.096 62.100 0.112 0.000 1.019 172 T CB 1.820 70.776 68.868 0.147 0.000 1.264 172 T HN -0.036 nan 8.240 nan 0.000 0.497 173 L N 1.425 122.678 121.223 0.050 0.000 2.319 173 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 173 L C -0.384 176.492 176.870 0.008 0.000 1.005 173 L CA -0.548 54.307 54.840 0.026 0.000 0.828 173 L CB 1.178 43.247 42.059 0.017 0.000 1.227 173 L HN 0.721 nan 8.230 nan 0.000 0.415 174 R N 4.139 124.641 120.500 0.002 0.000 2.338 174 R HA 0.779 5.119 4.340 -0.000 0.000 0.317 174 R C -1.349 174.949 176.300 -0.003 0.000 0.968 174 R CA -0.742 55.350 56.100 -0.014 0.000 0.849 174 R CB 1.965 32.251 30.300 -0.024 0.000 1.128 174 R HN 0.453 nan 8.270 nan 0.000 0.448 175 V N 1.561 121.474 119.914 -0.002 0.000 2.735 175 V HA 0.194 4.314 4.120 -0.000 0.000 0.310 175 V C -0.701 175.404 176.094 0.020 0.000 1.061 175 V CA -0.938 61.370 62.300 0.014 0.000 0.913 175 V CB 2.214 34.050 31.823 0.021 0.000 1.005 175 V HN 0.663 nan 8.190 nan 0.000 0.428 176 D N 2.738 123.154 120.400 0.028 0.000 2.412 176 D HA 0.305 4.945 4.640 -0.000 0.000 0.224 176 D C 0.186 176.509 176.300 0.037 0.000 1.093 176 D CA -0.192 53.825 54.000 0.029 0.000 0.850 176 D CB 1.229 42.047 40.800 0.030 0.000 1.046 176 D HN 0.564 nan 8.370 nan 0.000 0.507 177 Q N 2.271 122.090 119.800 0.032 0.000 2.225 177 Q HA 0.086 4.426 4.340 -0.000 0.000 0.259 177 Q C 1.167 177.157 176.000 -0.017 0.000 0.872 177 Q CA -0.183 55.636 55.803 0.026 0.000 1.042 177 Q CB 0.511 29.277 28.738 0.047 0.000 1.142 177 Q HN 0.578 nan 8.270 nan 0.000 0.463 178 S N 0.222 115.913 115.700 -0.014 0.000 2.442 178 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 178 S C 1.930 176.483 174.600 -0.077 0.000 1.007 178 S CA 0.812 58.993 58.200 -0.031 0.000 0.965 178 S CB -0.629 62.569 63.200 -0.005 0.000 0.773 178 S HN 0.655 nan 8.310 nan 0.000 0.504 179 I N -1.670 118.828 120.570 -0.120 0.000 2.614 179 I HA 0.079 4.249 4.170 -0.000 0.000 0.258 179 I C 1.831 177.836 176.117 -0.187 0.000 1.189 179 I CA 1.139 62.302 61.300 -0.229 0.000 1.462 179 I CB -0.330 37.442 38.000 -0.380 0.000 1.092 179 I HN 0.230 nan 8.210 nan 0.000 0.442 180 L N 0.665 121.798 121.223 -0.150 0.000 2.575 180 L HA 0.143 4.483 4.340 -0.000 0.000 0.228 180 L C 2.214 179.009 176.870 -0.126 0.000 1.075 180 L CA 0.965 55.704 54.840 -0.168 0.000 0.867 180 L CB 0.001 41.908 42.059 -0.254 0.000 1.097 180 L HN 0.417 nan 8.230 nan 0.000 0.485 181 T N -5.332 109.169 114.554 -0.089 0.000 2.959 181 T HA 0.256 4.606 4.350 -0.000 0.000 0.254 181 T C 1.467 176.144 174.700 -0.039 0.000 1.003 181 T CA 0.631 62.696 62.100 -0.057 0.000 0.950 181 T CB 1.014 69.857 68.868 -0.041 0.000 1.090 181 T HN 0.277 nan 8.240 nan 0.000 0.503 182 G N 1.422 110.197 108.800 -0.041 0.000 2.184 182 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.264 182 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.264 182 G C -0.250 174.643 174.900 -0.011 0.000 0.975 182 G CA 0.180 45.264 45.100 -0.026 0.000 0.642 182 G HN 0.607 nan 8.290 nan 0.000 0.536 183 E N 0.284 120.478 120.200 -0.009 0.000 2.166 183 E HA 0.537 4.887 4.350 -0.000 0.000 0.275 183 E C 1.144 177.748 176.600 0.008 0.000 0.941 183 E CA 0.114 56.516 56.400 0.002 0.000 0.784 183 E CB 1.490 31.191 29.700 0.002 0.000 1.115 183 E HN 0.367 nan 8.360 nan 0.000 0.399 184 S N 1.342 117.054 115.700 0.019 0.000 2.501 184 S HA -0.006 4.464 4.470 -0.000 0.000 0.220 184 S C 1.111 175.723 174.600 0.020 0.000 0.997 184 S CA -0.242 57.972 58.200 0.024 0.000 0.919 184 S CB 0.102 63.324 63.200 0.037 0.000 0.778 184 S HN 0.303 nan 8.310 nan 0.000 0.523 185 V N 3.004 122.928 119.914 0.018 0.000 2.843 185 V HA 0.149 4.269 4.120 -0.000 0.000 0.305 185 V C 0.177 176.270 176.094 -0.001 0.000 1.120 185 V CA 0.181 62.486 62.300 0.009 0.000 1.254 185 V CB 0.574 32.402 31.823 0.008 0.000 0.901 185 V HN 0.526 nan 8.190 nan 0.000 0.503 186 S N 5.102 120.793 115.700 -0.015 0.000 2.531 186 S HA 0.319 4.789 4.470 -0.000 0.000 0.279 186 S C -0.276 174.303 174.600 -0.036 0.000 1.305 186 S CA -0.454 57.731 58.200 -0.025 0.000 1.058 186 S CB 1.029 64.204 63.200 -0.042 0.000 0.899 186 S HN 0.697 nan 8.310 nan 0.000 0.493 187 V N 5.068 124.971 119.914 -0.018 0.000 2.481 187 V HA 0.325 4.444 4.120 -0.000 0.000 0.286 187 V C -0.160 175.918 176.094 -0.027 0.000 1.042 187 V CA -0.659 61.633 62.300 -0.014 0.000 0.928 187 V CB 1.327 33.158 31.823 0.014 0.000 0.986 187 V HN 0.645 nan 8.190 nan 0.000 0.462 188 I N 6.604 127.154 120.570 -0.032 0.000 2.301 188 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 188 I C 0.586 176.714 176.117 0.018 0.000 1.046 188 I CA -0.149 61.139 61.300 -0.020 0.000 1.282 188 I CB 0.636 38.613 38.000 -0.037 0.000 1.409 188 I HN 0.457 nan 8.210 nan 0.000 0.484 189 K N 5.335 125.736 120.400 0.001 0.000 2.102 189 K HA 0.469 4.789 4.320 -0.000 0.000 0.244 189 K C -0.177 176.443 176.600 0.034 0.000 1.021 189 K CA -0.422 55.837 56.287 -0.046 0.000 0.913 189 K CB 0.896 33.355 32.500 -0.068 0.000 1.062 189 K HN 0.777 nan 8.250 nan 0.000 0.485 190 H N -3.855 115.231 119.070 0.026 0.000 2.960 190 H HA 0.292 4.848 4.556 -0.000 0.000 0.323 190 H C 0.160 175.497 175.328 0.016 0.000 1.326 190 H CA -0.595 55.469 56.048 0.028 0.000 1.124 190 H CB 0.586 30.372 29.762 0.039 0.000 1.853 190 H HN 0.493 nan 8.280 nan 0.000 0.536 191 T N -2.941 111.828 114.554 0.359 0.000 3.040 191 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 191 T C 0.191 175.050 174.700 0.265 0.000 1.058 191 T CA -0.280 61.951 62.100 0.219 0.000 0.988 191 T CB -0.061 68.866 68.868 0.098 0.000 0.993 191 T HN 0.454 nan 8.240 nan 0.000 0.519 192 E N 3.466 123.888 120.200 0.370 0.000 2.408 192 E HA 0.263 4.613 4.350 -0.000 0.000 0.259 192 E C -2.286 174.462 176.600 0.247 0.000 1.110 192 E CA -2.312 54.175 56.400 0.144 0.000 0.929 192 E CB 0.355 29.980 29.700 -0.125 0.000 0.971 192 E HN 0.316 nan 8.360 nan 0.000 0.438 193 P HA 0.074 nan 4.420 nan 0.000 0.274 193 P C -0.421 176.972 177.300 0.154 0.000 1.237 193 P CA -0.227 62.941 63.100 0.113 0.000 0.793 193 P CB 0.647 32.373 31.700 0.043 0.000 0.977 194 V N 3.678 123.686 119.914 0.156 0.000 2.276 194 V HA 0.126 4.246 4.120 -0.000 0.000 0.268 194 V C -1.428 174.756 176.094 0.150 0.000 1.032 194 V CA -1.505 60.913 62.300 0.196 0.000 0.810 194 V CB 0.607 32.596 31.823 0.276 0.000 1.060 194 V HN 0.443 nan 8.190 nan 0.000 0.446 195 P HA -0.231 nan 4.420 nan 0.000 0.216 195 P C 0.703 178.043 177.300 0.065 0.000 1.167 195 P CA 1.354 64.482 63.100 0.048 0.000 0.933 195 P CB 0.076 31.804 31.700 0.047 0.000 0.793 196 D N -0.428 120.038 120.400 0.110 0.000 2.570 196 D HA -0.078 4.562 4.640 -0.000 0.000 0.243 196 D C -1.272 175.159 176.300 0.219 0.000 1.171 196 D CA -0.753 53.326 54.000 0.131 0.000 0.879 196 D CB 0.456 41.332 40.800 0.127 0.000 1.143 196 D HN 0.207 nan 8.370 nan 0.000 0.511 197 P HA -0.009 nan 4.420 nan 0.000 0.241 197 P C 0.496 177.937 177.300 0.235 0.000 1.191 197 P CA 0.360 63.574 63.100 0.190 0.000 0.771 197 P CB 0.378 32.117 31.700 0.065 0.000 0.929 198 R N -0.256 120.347 120.500 0.171 0.000 2.546 198 R HA 0.393 4.733 4.340 -0.000 0.000 0.320 198 R C 0.544 176.901 176.300 0.096 0.000 1.021 198 R CA -0.375 55.797 56.100 0.120 0.000 1.088 198 R CB 0.456 30.815 30.300 0.098 0.000 1.278 198 R HN 0.049 nan 8.270 nan 0.000 0.557 199 A N 1.368 124.244 122.820 0.094 0.000 2.511 199 A HA 0.240 4.560 4.320 -0.000 0.000 0.242 199 A C 0.839 178.401 177.584 -0.037 0.000 1.069 199 A CA -0.339 51.712 52.037 0.024 0.000 0.763 199 A CB 0.179 19.177 19.000 -0.003 0.000 1.001 199 A HN 0.174 nan 8.150 nan 0.000 0.498 200 V N 1.448 121.369 119.914 0.012 0.000 3.214 200 V HA 0.212 4.332 4.120 -0.000 0.000 0.306 200 V C 1.228 177.293 176.094 -0.047 0.000 1.078 200 V CA -0.433 61.870 62.300 0.005 0.000 1.077 200 V CB 0.267 32.134 31.823 0.073 0.000 1.121 200 V HN 0.862 nan 8.190 nan 0.000 0.468 201 N N 0.786 119.419 118.700 -0.112 0.000 2.060 201 N HA -0.234 4.506 4.740 -0.000 0.000 0.195 201 N C 1.649 177.141 175.510 -0.032 0.000 1.028 201 N CA 2.193 55.129 53.050 -0.190 0.000 0.861 201 N CB -0.538 37.669 38.487 -0.465 0.000 1.029 201 N HN 0.838 nan 8.380 nan 0.000 0.428 202 Q N 0.615 120.399 119.800 -0.027 0.000 2.308 202 Q HA -0.086 4.254 4.340 -0.000 0.000 0.209 202 Q C 1.025 177.051 176.000 0.043 0.000 0.985 202 Q CA 1.060 56.872 55.803 0.015 0.000 0.881 202 Q CB -0.020 28.726 28.738 0.013 0.000 0.917 202 Q HN 0.405 nan 8.270 nan 0.000 0.443 203 D N -0.228 120.196 120.400 0.040 0.000 2.327 203 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 203 D C -0.111 176.223 176.300 0.057 0.000 0.989 203 D CA 0.392 54.424 54.000 0.053 0.000 0.873 203 D CB 0.184 41.014 40.800 0.050 0.000 0.955 203 D HN 0.197 nan 8.370 nan 0.000 0.515 204 K N 1.682 122.117 120.400 0.058 0.000 2.278 204 K HA 0.129 4.449 4.320 -0.000 0.000 0.237 204 K C 0.747 177.356 176.600 0.016 0.000 1.229 204 K CA 0.045 56.365 56.287 0.054 0.000 1.155 204 K CB 0.305 32.874 32.500 0.114 0.000 1.590 204 K HN -0.058 nan 8.250 nan 0.000 0.290 205 K N 1.071 121.430 120.400 -0.068 0.000 2.505 205 K HA -0.049 4.271 4.320 -0.000 0.000 0.192 205 K C 0.722 177.060 176.600 -0.435 0.000 1.025 205 K CA 0.384 56.550 56.287 -0.202 0.000 1.086 205 K CB 0.049 32.449 32.500 -0.167 0.000 0.840 205 K HN 0.397 nan 8.250 nan 0.000 0.514 206 N N -0.163 118.331 118.700 -0.343 0.000 2.204 206 N HA 0.048 4.788 4.740 -0.000 0.000 0.219 206 N C -0.159 175.238 175.510 -0.189 0.000 1.151 206 N CA -0.015 52.864 53.050 -0.285 0.000 0.867 206 N CB 0.415 38.818 38.487 -0.139 0.000 1.043 206 N HN -0.089 nan 8.380 nan 0.000 0.516 207 M N 0.672 120.119 119.600 -0.254 0.000 2.602 207 M HA 0.470 4.950 4.480 -0.000 0.000 0.312 207 M C -0.864 175.092 176.300 -0.575 0.000 1.181 207 M CA -0.591 54.449 55.300 -0.432 0.000 0.910 207 M CB 2.381 34.599 32.600 -0.637 0.000 1.723 207 M HN -0.085 nan 8.290 nan 0.000 0.459 208 L N 2.031 122.909 121.223 -0.575 0.000 2.333 208 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 208 L C -1.347 175.197 176.870 -0.542 0.000 1.004 208 L CA -0.439 54.152 54.840 -0.415 0.000 0.820 208 L CB 1.412 43.354 42.059 -0.195 0.000 1.247 208 L HN 0.522 nan 8.230 nan 0.000 0.416 209 F N 0.914 120.848 119.950 -0.026 0.000 2.420 209 F HA 0.274 4.801 4.527 -0.000 0.000 0.342 209 F C 0.982 176.772 175.800 -0.017 0.000 1.113 209 F CA -0.464 57.520 58.000 -0.027 0.000 1.059 209 F CB 1.848 40.826 39.000 -0.037 0.000 1.128 209 F HN 0.366 nan 8.300 nan 0.000 0.475 210 S N 1.982 117.774 115.700 0.154 0.000 2.558 210 S HA 0.341 4.811 4.470 -0.000 0.000 0.293 210 S C 1.103 175.766 174.600 0.105 0.000 1.292 210 S CA 1.017 59.275 58.200 0.097 0.000 1.063 210 S CB -0.003 63.242 63.200 0.076 0.000 0.831 210 S HN 1.202 nan 8.310 nan 0.000 0.499 211 G N 2.898 111.759 108.800 0.102 0.000 2.234 211 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.235 211 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.235 211 G C 0.366 175.335 174.900 0.116 0.000 0.997 211 G CA 0.605 45.779 45.100 0.124 0.000 0.623 211 G HN 1.404 nan 8.290 nan 0.000 0.514 212 T N -0.454 114.160 114.554 0.099 0.000 2.810 212 T HA 0.602 4.952 4.350 -0.000 0.000 0.277 212 T C -0.031 174.719 174.700 0.084 0.000 0.973 212 T CA 0.344 62.497 62.100 0.088 0.000 0.949 212 T CB 1.588 70.519 68.868 0.105 0.000 1.075 212 T HN 1.210 nan 8.240 nan 0.000 0.537 213 N N -0.924 117.818 118.700 0.069 0.000 2.284 213 N HA 0.452 5.192 4.740 -0.000 0.000 0.289 213 N C -1.117 174.416 175.510 0.039 0.000 1.179 213 N CA -1.120 51.963 53.050 0.055 0.000 0.774 213 N CB 0.951 39.474 38.487 0.059 0.000 1.548 213 N HN 0.507 nan 8.380 nan 0.000 0.473 214 I N 1.163 121.751 120.570 0.030 0.000 2.452 214 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 214 I C 1.195 177.324 176.117 0.020 0.000 1.079 214 I CA -0.214 61.099 61.300 0.022 0.000 1.387 214 I CB 0.208 38.220 38.000 0.019 0.000 1.404 214 I HN 0.950 nan 8.210 nan 0.000 0.522 215 A N 5.682 128.512 122.820 0.016 0.000 1.935 215 A HA 0.518 4.838 4.320 -0.000 0.000 0.214 215 A C 1.003 178.595 177.584 0.013 0.000 1.178 215 A CA 1.033 53.077 52.037 0.012 0.000 0.640 215 A CB 0.151 19.154 19.000 0.005 0.000 0.825 215 A HN 0.837 nan 8.150 nan 0.000 0.447 216 A N -2.761 120.068 122.820 0.015 0.000 2.594 216 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 216 A C 0.133 177.733 177.584 0.027 0.000 1.061 216 A CA 0.174 52.225 52.037 0.022 0.000 0.689 216 A CB 0.085 19.099 19.000 0.023 0.000 1.280 216 A HN 2.162 nan 8.150 nan 0.000 0.406 217 G N 0.286 109.106 108.800 0.034 0.000 2.525 217 G HA2 0.372 4.332 3.960 -0.000 0.000 0.685 217 G HA3 0.372 4.332 3.960 -0.000 0.000 0.685 217 G C -0.840 174.079 174.900 0.032 0.000 1.290 217 G CA -0.179 44.944 45.100 0.037 0.000 0.915 217 G HN 1.158 nan 8.290 nan 0.000 0.548 218 K N -0.326 120.094 120.400 0.033 0.000 2.468 218 K HA 0.785 5.105 4.320 -0.000 0.000 0.252 218 K C -0.352 176.263 176.600 0.025 0.000 0.932 218 K CA -0.120 56.185 56.287 0.031 0.000 0.794 218 K CB 1.766 34.287 32.500 0.036 0.000 1.241 218 K HN 1.882 nan 8.250 nan 0.000 0.428 219 A N 3.003 125.836 122.820 0.021 0.000 2.594 219 A HA 0.697 5.017 4.320 -0.000 0.000 0.291 219 A C -2.199 175.389 177.584 0.006 0.000 1.105 219 A CA -0.725 51.317 52.037 0.009 0.000 0.694 219 A CB 1.559 20.558 19.000 -0.001 0.000 1.291 219 A HN 0.520 nan 8.150 nan 0.000 0.410 220 L N 0.551 121.766 121.223 -0.014 0.000 2.365 220 L HA 0.878 5.218 4.340 -0.000 0.000 0.273 220 L C 0.317 177.167 176.870 -0.034 0.000 1.000 220 L CA 0.465 55.288 54.840 -0.028 0.000 0.819 220 L CB 1.820 43.831 42.059 -0.080 0.000 1.284 220 L HN 1.222 nan 8.230 nan 0.000 0.418 221 G N 3.801 112.582 108.800 -0.032 0.000 2.708 221 G HA2 0.548 4.507 3.960 -0.000 0.000 0.289 221 G HA3 0.548 4.507 3.960 -0.000 0.000 0.289 221 G C -1.932 172.938 174.900 -0.051 0.000 1.416 221 G CA -0.566 44.507 45.100 -0.044 0.000 0.829 221 G HN 0.675 nan 8.290 nan 0.000 0.480 222 I N 0.798 121.331 120.570 -0.062 0.000 2.433 222 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 222 I C -0.235 175.800 176.117 -0.137 0.000 1.001 222 I CA -0.945 60.299 61.300 -0.092 0.000 1.119 222 I CB 1.779 39.751 38.000 -0.047 0.000 1.289 222 I HN 0.232 nan 8.210 nan 0.000 0.438 223 V N 8.340 128.126 119.914 -0.213 0.000 2.529 223 V HA 0.094 4.214 4.120 -0.000 0.000 0.292 223 V C 1.097 177.035 176.094 -0.260 0.000 1.028 223 V CA 0.728 62.892 62.300 -0.226 0.000 1.074 223 V CB 0.665 32.340 31.823 -0.245 0.000 0.958 223 V HN 0.979 nan 8.190 nan 0.000 0.481 224 A N 4.572 127.316 122.820 -0.126 0.000 1.901 224 A HA 0.308 4.627 4.320 -0.000 0.000 0.210 224 A C 1.054 178.610 177.584 -0.048 0.000 1.208 224 A CA 1.151 53.175 52.037 -0.023 0.000 0.644 224 A CB 0.143 19.130 19.000 -0.021 0.000 0.863 224 A HN 0.897 nan 8.150 nan 0.000 0.454 225 T N -3.413 111.090 114.554 -0.085 0.000 2.868 225 T HA 0.588 4.938 4.350 -0.000 0.000 0.306 225 T C -0.458 174.195 174.700 -0.078 0.000 1.224 225 T CA 0.108 62.151 62.100 -0.094 0.000 1.012 225 T CB 1.541 70.391 68.868 -0.029 0.000 1.221 225 T HN 0.764 nan 8.240 nan 0.000 0.499 226 T N -2.105 112.409 114.554 -0.067 0.000 2.669 226 T HA 0.831 5.181 4.350 -0.000 0.000 0.283 226 T C 1.079 175.791 174.700 0.018 0.000 1.019 226 T CA 0.119 62.204 62.100 -0.025 0.000 1.039 226 T CB 0.980 69.826 68.868 -0.037 0.000 1.374 226 T HN 2.207 nan 8.240 nan 0.000 0.523 227 G N 0.248 109.071 108.800 0.039 0.000 2.634 227 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.309 227 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.309 227 G C 1.137 176.065 174.900 0.048 0.000 1.265 227 G CA 1.991 47.124 45.100 0.056 0.000 0.998 227 G HN 2.104 nan 8.290 nan 0.000 0.551 228 V N -2.249 117.695 119.914 0.050 0.000 3.510 228 V HA 0.365 4.485 4.120 -0.000 0.000 0.270 228 V C 1.940 178.055 176.094 0.035 0.000 1.201 228 V CA 2.341 64.665 62.300 0.039 0.000 1.166 228 V CB 0.304 32.150 31.823 0.038 0.000 0.825 228 V HN 0.790 nan 8.190 nan 0.000 0.484 229 S N 1.448 117.172 115.700 0.041 0.000 2.743 229 S HA 0.182 4.652 4.470 -0.000 0.000 0.230 229 S C 0.867 175.488 174.600 0.036 0.000 0.950 229 S CA 0.519 58.742 58.200 0.038 0.000 0.976 229 S CB -0.585 62.640 63.200 0.042 0.000 0.779 229 S HN 0.957 nan 8.310 nan 0.000 0.487 230 T N -1.622 112.954 114.554 0.038 0.000 2.938 230 T HA 0.446 4.796 4.350 -0.000 0.000 0.285 230 T C 0.814 175.538 174.700 0.040 0.000 1.028 230 T CA -0.781 61.353 62.100 0.057 0.000 1.005 230 T CB 1.065 69.971 68.868 0.062 0.000 1.157 230 T HN -0.194 nan 8.240 nan 0.000 0.550 231 E N 0.016 120.250 120.200 0.056 0.000 2.106 231 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 231 E C 1.760 178.326 176.600 -0.057 0.000 0.984 231 E CA 0.760 57.134 56.400 -0.044 0.000 0.806 231 E CB -0.259 29.335 29.700 -0.177 0.000 0.750 231 E HN 0.693 nan 8.360 nan 0.000 0.458 232 I N 0.373 120.931 120.570 -0.020 0.000 2.676 232 I HA -0.108 4.062 4.170 -0.000 0.000 0.259 232 I C 1.971 178.078 176.117 -0.016 0.000 1.194 232 I CA 0.984 62.265 61.300 -0.032 0.000 1.473 232 I CB -0.083 37.913 38.000 -0.006 0.000 1.096 232 I HN 0.034 nan 8.210 nan 0.000 0.443 233 G N 0.775 109.576 108.800 0.001 0.000 2.402 233 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 233 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 233 G C 1.673 176.567 174.900 -0.010 0.000 1.162 233 G CA 0.453 45.556 45.100 0.006 0.000 0.777 233 G HN 0.331 nan 8.290 nan 0.000 0.539 234 K N 0.013 120.398 120.400 -0.025 0.000 2.097 234 K HA 0.034 4.354 4.320 -0.000 0.000 0.206 234 K C 2.379 178.951 176.600 -0.047 0.000 1.049 234 K CA 0.870 57.134 56.287 -0.039 0.000 0.933 234 K CB -0.231 32.233 32.500 -0.060 0.000 0.717 234 K HN 0.326 nan 8.250 nan 0.000 0.442 235 I N 0.978 121.515 120.570 -0.055 0.000 2.179 235 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 235 I C 2.760 178.855 176.117 -0.036 0.000 1.088 235 I CA 0.962 62.228 61.300 -0.057 0.000 1.357 235 I CB -0.286 37.671 38.000 -0.072 0.000 1.051 235 I HN 0.182 nan 8.210 nan 0.000 0.409 236 R N 1.282 121.769 120.500 -0.021 0.000 2.091 236 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 236 R C 1.588 177.884 176.300 -0.007 0.000 1.136 236 R CA 2.095 58.192 56.100 -0.006 0.000 0.959 236 R CB -0.570 29.735 30.300 0.008 0.000 0.856 236 R HN 0.317 nan 8.270 nan 0.000 0.437 237 D N 0.469 120.863 120.400 -0.011 0.000 2.144 237 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 237 D C 2.005 178.293 176.300 -0.020 0.000 0.978 237 D CA 0.875 54.868 54.000 -0.011 0.000 0.833 237 D CB -0.091 40.703 40.800 -0.011 0.000 0.961 237 D HN 0.336 nan 8.370 nan 0.000 0.470 238 Q N -0.574 119.208 119.800 -0.030 0.000 2.230 238 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 238 Q C 2.044 178.026 176.000 -0.030 0.000 0.963 238 Q CA 0.665 56.446 55.803 -0.037 0.000 0.866 238 Q CB 0.053 28.761 28.738 -0.051 0.000 0.931 238 Q HN 0.410 nan 8.270 nan 0.000 0.452 239 M N -0.606 118.980 119.600 -0.024 0.000 2.334 239 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 239 M C 2.253 178.546 176.300 -0.011 0.000 1.082 239 M CA 0.776 56.065 55.300 -0.018 0.000 1.141 239 M CB -0.184 32.408 32.600 -0.013 0.000 1.380 239 M HN 0.135 nan 8.290 nan 0.000 0.440 240 A N 1.199 124.014 122.820 -0.008 0.000 1.824 240 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 240 A C 1.460 179.041 177.584 -0.006 0.000 1.209 240 A CA 1.412 53.447 52.037 -0.003 0.000 0.614 240 A CB -1.079 17.921 19.000 0.001 0.000 0.852 240 A HN 0.438 nan 8.150 nan 0.000 0.447 241 A N 0.019 122.833 122.820 -0.009 0.000 2.541 241 A HA 0.457 4.777 4.320 -0.000 0.000 0.293 241 A C 0.938 178.511 177.584 -0.017 0.000 1.307 241 A CA 0.831 52.861 52.037 -0.012 0.000 0.978 241 A CB -0.789 18.202 19.000 -0.014 0.000 1.111 241 A HN 0.905 nan 8.150 nan 0.000 0.535 242 T N -0.817 113.728 114.554 -0.015 0.000 3.277 242 T HA 0.344 4.694 4.350 -0.000 0.000 0.136 242 T C 0.178 174.868 174.700 -0.015 0.000 0.874 242 T CA 0.332 62.421 62.100 -0.018 0.000 0.823 242 T CB -0.321 68.536 68.868 -0.018 0.000 1.493 242 T HN 1.111 nan 8.240 nan 0.000 0.296 243 E N 1.586 121.778 120.200 -0.012 0.000 4.675 243 E HA -0.209 4.141 4.350 -0.000 0.000 0.163 243 E C -0.394 176.198 176.600 -0.013 0.000 1.720 243 E CA 0.116 56.510 56.400 -0.010 0.000 1.052 243 E CB -0.780 28.916 29.700 -0.007 0.000 1.047 243 E HN 0.661 nan 8.360 nan 0.000 0.344 244 Q N 2.725 122.516 119.800 -0.015 0.000 2.349 244 Q HA -0.021 4.319 4.340 -0.000 0.000 0.287 244 Q C 0.057 176.048 176.000 -0.014 0.000 1.044 244 Q CA 0.464 56.256 55.803 -0.017 0.000 0.918 244 Q CB 0.704 29.431 28.738 -0.018 0.000 1.242 244 Q HN 0.437 nan 8.270 nan 0.000 0.405 245 D N 2.379 122.770 120.400 -0.015 0.000 2.357 245 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 245 D C -0.601 175.693 176.300 -0.011 0.000 1.153 245 D CA 0.043 54.035 54.000 -0.012 0.000 0.918 245 D CB 0.738 41.530 40.800 -0.013 0.000 1.181 245 D HN 0.437 nan 8.370 nan 0.000 0.435 246 K N 1.063 121.460 120.400 -0.007 0.000 2.416 246 K HA 0.039 4.359 4.320 -0.000 0.000 0.283 246 K C 0.528 177.124 176.600 -0.007 0.000 1.037 246 K CA -0.019 56.266 56.287 -0.003 0.000 0.995 246 K CB 0.542 33.044 32.500 0.003 0.000 0.938 246 K HN 0.324 nan 8.250 nan 0.000 0.475 247 T N 3.679 118.228 114.554 -0.008 0.000 2.854 247 T HA -0.029 4.321 4.350 -0.000 0.000 0.336 247 T C -1.060 173.630 174.700 -0.017 0.000 1.095 247 T CA -1.255 60.835 62.100 -0.017 0.000 1.118 247 T CB 0.399 69.260 68.868 -0.013 0.000 1.025 247 T HN 0.462 nan 8.240 nan 0.000 0.549 248 P HA -0.093 nan 4.420 nan 0.000 0.217 248 P C 1.692 178.982 177.300 -0.015 0.000 1.150 248 P CA 0.736 63.812 63.100 -0.040 0.000 0.832 248 P CB 0.032 31.681 31.700 -0.086 0.000 0.787 249 L N 0.469 121.688 121.223 -0.005 0.000 2.027 249 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 249 L C 2.559 179.461 176.870 0.053 0.000 1.074 249 L CA 1.849 56.722 54.840 0.055 0.000 0.745 249 L CB -1.746 40.375 42.059 0.103 0.000 0.898 249 L HN -0.137 nan 8.230 nan 0.000 0.433 250 Q N -0.915 118.908 119.800 0.038 0.000 2.234 250 Q HA -0.249 4.090 4.340 -0.000 0.000 0.206 250 Q C 2.164 178.190 176.000 0.043 0.000 0.980 250 Q CA 1.838 57.665 55.803 0.039 0.000 0.869 250 Q CB -0.136 28.617 28.738 0.025 0.000 0.912 250 Q HN 0.684 nan 8.270 nan 0.000 0.436 251 Q N -0.154 119.667 119.800 0.035 0.000 2.137 251 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 251 Q C 1.835 177.869 176.000 0.055 0.000 0.960 251 Q CA 0.568 56.393 55.803 0.036 0.000 0.847 251 Q CB 0.206 28.957 28.738 0.022 0.000 0.915 251 Q HN 0.105 nan 8.270 nan 0.000 0.448 252 K N 0.785 121.221 120.400 0.060 0.000 2.097 252 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 252 K C 2.027 178.696 176.600 0.115 0.000 1.050 252 K CA 0.899 57.232 56.287 0.078 0.000 0.938 252 K CB -0.178 32.363 32.500 0.068 0.000 0.718 252 K HN 0.246 nan 8.250 nan 0.000 0.442 253 L N 0.793 122.081 121.223 0.109 0.000 2.044 253 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 253 L C 1.972 178.948 176.870 0.176 0.000 1.075 253 L CA 1.095 56.031 54.840 0.161 0.000 0.747 253 L CB -0.441 41.688 42.059 0.116 0.000 0.903 253 L HN 0.125 nan 8.230 nan 0.000 0.435 254 D N -0.157 120.307 120.400 0.105 0.000 2.265 254 D HA -0.225 4.415 4.640 -0.000 0.000 0.208 254 D C 1.964 178.307 176.300 0.073 0.000 0.977 254 D CA 1.170 55.214 54.000 0.074 0.000 0.871 254 D CB 0.196 41.025 40.800 0.047 0.000 0.925 254 D HN 0.452 nan 8.370 nan 0.000 0.485 255 E N -0.395 119.866 120.200 0.102 0.000 2.086 255 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 255 E C 1.972 178.652 176.600 0.134 0.000 0.975 255 E CA 0.075 56.533 56.400 0.096 0.000 0.813 255 E CB -0.036 29.723 29.700 0.099 0.000 0.768 255 E HN 0.099 nan 8.360 nan 0.000 0.457 256 F N 1.310 121.275 119.950 0.025 0.000 2.046 256 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 256 F C 2.058 177.868 175.800 0.017 0.000 1.123 256 F CA 2.216 60.232 58.000 0.026 0.000 1.199 256 F CB -0.912 38.104 39.000 0.027 0.000 0.972 256 F HN 0.034 nan 8.300 nan 0.000 0.474 257 G N -1.083 107.617 108.800 -0.166 0.000 2.559 257 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.216 257 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.216 257 G C 1.411 176.208 174.900 -0.172 0.000 1.126 257 G CA 0.826 45.760 45.100 -0.276 0.000 0.778 257 G HN 0.455 nan 8.290 nan 0.000 0.543 258 E N -0.135 120.011 120.200 -0.090 0.000 2.152 258 E HA -0.047 4.302 4.350 -0.000 0.000 0.192 258 E C 2.516 179.070 176.600 -0.077 0.000 0.983 258 E CA 0.866 57.233 56.400 -0.055 0.000 0.818 258 E CB 0.045 29.739 29.700 -0.011 0.000 0.758 258 E HN 0.288 nan 8.360 nan 0.000 0.467 259 Q N -0.503 119.234 119.800 -0.105 0.000 2.297 259 Q HA 0.028 4.368 4.340 -0.000 0.000 0.203 259 Q C 2.137 178.039 176.000 -0.163 0.000 0.931 259 Q CA 0.307 56.053 55.803 -0.095 0.000 0.885 259 Q CB -0.262 28.455 28.738 -0.035 0.000 0.991 259 Q HN 0.281 nan 8.270 nan 0.000 0.498 260 L N 1.030 122.065 121.223 -0.313 0.000 2.079 260 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 260 L C 2.305 179.056 176.870 -0.197 0.000 1.081 260 L CA 1.833 56.468 54.840 -0.342 0.000 0.752 260 L CB -0.707 41.012 42.059 -0.566 0.000 0.896 260 L HN 0.122 nan 8.230 nan 0.000 0.433 261 S N -1.328 114.275 115.700 -0.162 0.000 2.423 261 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 261 S C 1.995 176.544 174.600 -0.086 0.000 1.014 261 S CA 1.243 59.379 58.200 -0.107 0.000 0.965 261 S CB -0.137 63.012 63.200 -0.085 0.000 0.785 261 S HN 0.562 nan 8.310 nan 0.000 0.495 262 K N 0.177 120.527 120.400 -0.083 0.000 2.098 262 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 262 K C 2.041 178.605 176.600 -0.061 0.000 1.051 262 K CA 1.038 57.288 56.287 -0.062 0.000 0.957 262 K CB -0.220 32.251 32.500 -0.048 0.000 0.738 262 K HN 0.202 nan 8.250 nan 0.000 0.447 263 V N 2.150 122.020 119.914 -0.074 0.000 2.270 263 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 263 V C 2.253 178.303 176.094 -0.073 0.000 1.043 263 V CA 1.420 63.678 62.300 -0.070 0.000 1.014 263 V CB -0.359 31.418 31.823 -0.078 0.000 0.645 263 V HN 0.240 nan 8.190 nan 0.000 0.447 264 I N 1.362 121.883 120.570 -0.081 0.000 2.179 264 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 264 I C 2.816 178.899 176.117 -0.058 0.000 1.088 264 I CA 2.258 63.516 61.300 -0.071 0.000 1.357 264 I CB -1.567 36.386 38.000 -0.078 0.000 1.051 264 I HN 0.549 nan 8.210 nan 0.000 0.409 265 S N 0.957 116.620 115.700 -0.062 0.000 2.383 265 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 265 S C 2.012 176.589 174.600 -0.039 0.000 1.030 265 S CA 0.937 59.103 58.200 -0.056 0.000 1.002 265 S CB -0.667 62.497 63.200 -0.060 0.000 0.829 265 S HN 0.305 nan 8.310 nan 0.000 0.467 266 L N 0.712 121.914 121.223 -0.035 0.000 2.179 266 L HA 0.138 4.478 4.340 -0.000 0.000 0.208 266 L C 2.394 179.268 176.870 0.005 0.000 1.096 266 L CA 1.048 55.877 54.840 -0.018 0.000 0.779 266 L CB -0.987 41.057 42.059 -0.025 0.000 0.922 266 L HN 0.346 nan 8.230 nan 0.000 0.443 267 I N -0.842 119.722 120.570 -0.011 0.000 2.353 267 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 267 I C 2.760 178.929 176.117 0.087 0.000 1.119 267 I CA 0.767 62.078 61.300 0.019 0.000 1.417 267 I CB -1.189 36.794 38.000 -0.028 0.000 1.078 267 I HN 0.284 nan 8.210 nan 0.000 0.421 268 C N 0.412 119.737 119.300 0.041 0.000 2.436 268 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 268 C C 2.960 178.037 174.990 0.145 0.000 1.241 268 C CA 0.679 59.724 59.018 0.046 0.000 1.721 268 C CB -0.834 26.910 27.740 0.007 0.000 2.043 268 C HN 0.328 nan 8.230 nan 0.000 0.472 269 V N 1.459 121.443 119.914 0.117 0.000 2.594 269 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 269 V C 2.610 178.861 176.094 0.263 0.000 1.069 269 V CA 1.945 64.335 62.300 0.149 0.000 1.082 269 V CB -1.354 30.474 31.823 0.009 0.000 0.680 269 V HN 0.611 nan 8.190 nan 0.000 0.469 270 A N 0.340 123.281 122.820 0.202 0.000 1.858 270 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 270 A C 2.366 180.107 177.584 0.263 0.000 1.190 270 A CA 2.202 54.378 52.037 0.231 0.000 0.617 270 A CB -0.813 18.322 19.000 0.225 0.000 0.827 270 A HN 0.344 nan 8.150 nan 0.000 0.443 271 V N -2.121 117.932 119.914 0.232 0.000 2.594 271 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 271 V C 2.118 178.301 176.094 0.149 0.000 1.069 271 V CA 1.721 64.088 62.300 0.111 0.000 1.082 271 V CB -1.075 30.738 31.823 -0.016 0.000 0.680 271 V HN 0.821 nan 8.190 nan 0.000 0.469 272 W N 0.542 121.911 121.300 0.115 0.000 2.342 272 W HA -0.171 4.489 4.660 -0.000 0.000 0.297 272 W C 2.041 178.638 176.519 0.130 0.000 1.213 272 W CA 1.476 58.964 57.345 0.238 0.000 1.251 272 W CB -0.126 29.488 29.460 0.258 0.000 1.136 272 W HN 0.186 nan 8.180 nan 0.000 0.526 273 L N 0.484 121.866 121.223 0.266 0.000 2.201 273 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 273 L C 1.664 178.492 176.870 -0.070 0.000 1.105 273 L CA 0.538 55.426 54.840 0.080 0.000 0.775 273 L CB -0.687 41.493 42.059 0.201 0.000 0.913 273 L HN -0.020 nan 8.230 nan 0.000 0.440 274 I N -0.468 120.080 120.570 -0.037 0.000 3.749 274 I HA -0.002 4.168 4.170 -0.000 0.000 0.314 274 I C 0.488 176.537 176.117 -0.113 0.000 1.267 274 I CA 0.692 61.951 61.300 -0.068 0.000 1.169 274 I CB -0.927 37.035 38.000 -0.063 0.000 1.009 274 I HN 0.257 nan 8.210 nan 0.000 0.444 275 N N 0.694 119.284 118.700 -0.184 0.000 2.571 275 N HA 0.336 5.076 4.740 -0.000 0.000 0.298 275 N C 0.991 176.321 175.510 -0.301 0.000 1.671 275 N CA 0.125 53.058 53.050 -0.195 0.000 0.900 275 N CB 1.381 39.806 38.487 -0.103 0.000 1.365 275 N HN 0.275 nan 8.380 nan 0.000 0.493 276 I N -1.463 118.956 120.570 -0.253 0.000 4.187 276 I HA 0.159 4.329 4.170 -0.000 0.000 0.326 276 I C 2.003 178.102 176.117 -0.030 0.000 1.302 276 I CA 0.226 61.408 61.300 -0.196 0.000 1.196 276 I CB 0.523 38.380 38.000 -0.238 0.000 1.095 276 I HN 0.078 nan 8.210 nan 0.000 0.411 277 G N -0.095 108.680 108.800 -0.042 0.000 2.744 277 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.211 277 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.211 277 G C 1.431 176.324 174.900 -0.012 0.000 1.143 277 G CA 0.309 45.395 45.100 -0.024 0.000 0.788 277 G HN 0.339 nan 8.290 nan 0.000 0.534 278 H N -0.960 118.062 119.070 -0.079 0.000 2.750 278 H HA 0.166 4.722 4.556 -0.000 0.000 0.263 278 H C 1.389 176.691 175.328 -0.043 0.000 0.964 278 H CA -0.375 55.619 56.048 -0.089 0.000 1.205 278 H CB 0.286 29.963 29.762 -0.141 0.000 1.454 278 H HN 0.274 nan 8.280 nan 0.000 0.503 279 F N 1.564 121.508 119.950 -0.010 0.000 2.367 279 F HA -0.017 4.510 4.527 0.000 0.000 0.298 279 F C 1.862 177.640 175.800 -0.036 0.000 1.094 279 F CA 0.645 58.613 58.000 -0.054 0.000 1.409 279 F CB -0.065 38.856 39.000 -0.131 0.000 1.064 279 F HN 0.045 nan 8.300 nan 0.000 0.528 280 N N 0.763 119.382 118.700 -0.135 0.000 2.062 280 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 280 N C -0.076 175.305 175.510 -0.216 0.000 1.042 280 N CA 1.330 54.258 53.050 -0.203 0.000 0.845 280 N CB -1.141 37.291 38.487 -0.091 0.000 1.024 280 N HN 0.422 nan 8.380 nan 0.000 0.424 281 D N 2.792 123.082 120.400 -0.184 0.000 2.472 281 D HA 0.014 4.654 4.640 -0.000 0.000 0.248 281 D C -2.284 173.919 176.300 -0.162 0.000 1.174 281 D CA -1.064 52.828 54.000 -0.180 0.000 0.883 281 D CB 0.104 40.762 40.800 -0.236 0.000 1.149 281 D HN 0.211 nan 8.370 nan 0.000 0.488 282 P HA 0.061 nan 4.420 nan 0.000 0.263 282 P C -0.945 176.338 177.300 -0.027 0.000 1.601 282 P CA -0.376 62.677 63.100 -0.079 0.000 1.161 282 P CB 0.684 32.344 31.700 -0.066 0.000 1.730 283 V N 5.036 124.949 119.914 -0.001 0.000 2.680 283 V HA 0.320 4.440 4.120 -0.000 0.000 0.309 283 V C 0.732 176.908 176.094 0.136 0.000 1.052 283 V CA -0.626 61.713 62.300 0.065 0.000 0.908 283 V CB 1.728 33.556 31.823 0.008 0.000 1.001 283 V HN 0.611 nan 8.190 nan 0.000 0.431 284 H N 4.006 123.084 119.070 0.014 0.000 2.487 284 H HA 0.353 4.909 4.556 0.000 0.000 0.290 284 H C 0.991 176.337 175.328 0.031 0.000 1.081 284 H CA 0.216 56.284 56.048 0.033 0.000 1.116 284 H CB 0.216 29.998 29.762 0.034 0.000 1.560 284 H HN 0.677 nan 8.280 nan 0.000 0.548 285 G N 0.125 108.783 108.800 -0.237 0.000 2.985 285 G HA2 0.261 4.221 3.960 -0.000 0.000 0.209 285 G HA3 0.261 4.221 3.960 -0.000 0.000 0.209 285 G C 0.543 175.367 174.900 -0.127 0.000 1.165 285 G CA 0.186 45.134 45.100 -0.254 0.000 0.776 285 G HN 0.628 nan 8.290 nan 0.000 0.541 286 G N -0.097 108.662 108.800 -0.070 0.000 2.460 286 G HA2 0.399 4.359 3.960 -0.000 0.000 0.299 286 G HA3 0.399 4.359 3.960 -0.000 0.000 0.299 286 G C -0.347 174.543 174.900 -0.017 0.000 1.592 286 G CA 0.143 45.209 45.100 -0.057 0.000 1.008 286 G HN 0.281 nan 8.290 nan 0.000 0.513 287 S N 0.378 116.104 115.700 0.043 0.000 2.611 287 S HA 0.133 4.602 4.470 -0.000 0.000 0.252 287 S C 1.317 175.992 174.600 0.125 0.000 1.369 287 S CA 0.220 58.505 58.200 0.141 0.000 0.975 287 S CB 0.419 63.712 63.200 0.155 0.000 0.937 287 S HN 0.480 nan 8.310 nan 0.000 0.584 288 W N 0.903 122.225 121.300 0.036 0.000 2.418 288 W HA 0.068 4.727 4.660 -0.000 0.000 0.292 288 W C 1.930 178.438 176.519 -0.020 0.000 1.213 288 W CA 0.136 57.494 57.345 0.022 0.000 1.283 288 W CB -0.754 28.725 29.460 0.032 0.000 1.119 288 W HN 0.542 nan 8.180 nan 0.000 0.542 289 I N 0.063 120.753 120.570 0.199 0.000 2.208 289 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 289 I C 2.536 178.642 176.117 -0.019 0.000 1.097 289 I CA 1.661 63.001 61.300 0.067 0.000 1.363 289 I CB -0.996 37.047 38.000 0.072 0.000 1.051 289 I HN -0.053 nan 8.210 nan 0.000 0.413 290 R N 0.483 120.988 120.500 0.008 0.000 2.062 290 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 290 R C 2.425 178.698 176.300 -0.045 0.000 1.125 290 R CA 1.220 57.300 56.100 -0.034 0.000 0.966 290 R CB -0.764 29.532 30.300 -0.006 0.000 0.861 290 R HN 0.409 nan 8.270 nan 0.000 0.433 291 G N -0.035 108.733 108.800 -0.053 0.000 2.517 291 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.222 291 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.222 291 G C 1.333 176.231 174.900 -0.003 0.000 1.109 291 G CA 1.006 46.047 45.100 -0.097 0.000 0.746 291 G HN 0.494 nan 8.290 nan 0.000 0.576 292 A N 0.330 123.145 122.820 -0.007 0.000 2.030 292 A HA 0.296 4.616 4.320 -0.000 0.000 0.215 292 A C 2.285 179.929 177.584 0.099 0.000 1.164 292 A CA 0.532 52.593 52.037 0.041 0.000 0.697 292 A CB -0.125 18.818 19.000 -0.095 0.000 0.827 292 A HN 0.349 nan 8.150 nan 0.000 0.457 293 I N -1.334 119.209 120.570 -0.045 0.000 2.248 293 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 293 I C 2.424 178.633 176.117 0.154 0.000 1.107 293 I CA 1.770 63.028 61.300 -0.070 0.000 1.373 293 I CB -0.499 37.400 38.000 -0.168 0.000 1.055 293 I HN 0.514 nan 8.210 nan 0.000 0.418 294 Y N 1.250 121.606 120.300 0.093 0.000 2.097 294 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 294 Y C 2.466 178.463 175.900 0.163 0.000 1.152 294 Y CA 1.625 59.786 58.100 0.102 0.000 1.136 294 Y CB -0.800 37.715 38.460 0.092 0.000 0.975 294 Y HN 0.067 nan 8.280 nan 0.000 0.498 295 Y N -1.416 118.919 120.300 0.059 0.000 2.200 295 Y HA -0.199 4.350 4.550 -0.000 0.000 0.290 295 Y C 2.257 178.164 175.900 0.012 0.000 1.137 295 Y CA 1.768 59.859 58.100 -0.015 0.000 1.163 295 Y CB -1.105 37.440 38.460 0.141 0.000 0.988 295 Y HN 0.081 nan 8.280 nan 0.000 0.518 296 F N 0.160 120.156 119.950 0.076 0.000 2.269 296 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 296 F C 2.052 177.830 175.800 -0.037 0.000 1.082 296 F CA 1.199 59.207 58.000 0.014 0.000 1.360 296 F CB -0.483 38.517 39.000 0.001 0.000 1.041 296 F HN -0.012 nan 8.300 nan 0.000 0.512 297 K N 0.348 120.809 120.400 0.101 0.000 2.067 297 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 297 K C 2.114 178.663 176.600 -0.086 0.000 1.048 297 K CA 1.449 57.740 56.287 0.006 0.000 0.954 297 K CB -0.327 32.176 32.500 0.005 0.000 0.737 297 K HN 0.315 nan 8.250 nan 0.000 0.444 298 I N -1.377 119.061 120.570 -0.219 0.000 2.454 298 I HA -0.134 4.036 4.170 -0.000 0.000 0.254 298 I C 2.272 178.288 176.117 -0.167 0.000 1.156 298 I CA 1.212 62.352 61.300 -0.268 0.000 1.433 298 I CB -0.464 37.230 38.000 -0.509 0.000 1.082 298 I HN -0.077 nan 8.210 nan 0.000 0.432 299 A N 2.330 125.064 122.820 -0.144 0.000 1.873 299 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 299 A C 2.461 180.003 177.584 -0.071 0.000 1.186 299 A CA 2.306 54.274 52.037 -0.114 0.000 0.616 299 A CB -1.176 17.733 19.000 -0.152 0.000 0.823 299 A HN 0.466 nan 8.150 nan 0.000 0.442 300 V N -2.069 117.819 119.914 -0.045 0.000 2.594 300 V HA -0.100 4.020 4.120 -0.000 0.000 0.253 300 V C 2.481 178.568 176.094 -0.012 0.000 1.069 300 V CA 1.812 64.105 62.300 -0.012 0.000 1.082 300 V CB -1.637 30.197 31.823 0.018 0.000 0.680 300 V HN 0.511 nan 8.190 nan 0.000 0.469 301 A N 0.816 123.620 122.820 -0.028 0.000 1.855 301 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 301 A C 2.256 179.830 177.584 -0.017 0.000 1.191 301 A CA 1.929 53.955 52.037 -0.019 0.000 0.613 301 A CB -0.641 18.337 19.000 -0.037 0.000 0.829 301 A HN 0.522 nan 8.150 nan 0.000 0.442 302 L N -0.686 120.518 121.223 -0.032 0.000 2.046 302 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 302 L C 3.135 179.989 176.870 -0.025 0.000 1.077 302 L CA 1.100 55.923 54.840 -0.027 0.000 0.747 302 L CB -0.572 41.465 42.059 -0.038 0.000 0.896 302 L HN 0.472 nan 8.230 nan 0.000 0.432 303 A N -0.260 122.543 122.820 -0.029 0.000 1.858 303 A HA -0.170 4.149 4.320 -0.000 0.000 0.216 303 A C 2.213 179.793 177.584 -0.007 0.000 1.190 303 A CA 1.949 53.971 52.037 -0.024 0.000 0.617 303 A CB -0.925 18.062 19.000 -0.021 0.000 0.827 303 A HN 0.210 nan 8.150 nan 0.000 0.443 304 V N -0.401 119.516 119.914 0.005 0.000 2.759 304 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 304 V C 2.720 178.825 176.094 0.019 0.000 1.080 304 V CA 1.691 64.002 62.300 0.020 0.000 1.101 304 V CB -0.994 30.848 31.823 0.032 0.000 0.698 304 V HN 0.628 nan 8.190 nan 0.000 0.477 305 A N -0.526 122.300 122.820 0.010 0.000 1.997 305 A HA 0.351 4.671 4.320 -0.000 0.000 0.212 305 A C 2.275 179.861 177.584 0.004 0.000 1.178 305 A CA 1.221 53.263 52.037 0.008 0.000 0.698 305 A CB -0.272 18.731 19.000 0.005 0.000 0.842 305 A HN 0.474 nan 8.150 nan 0.000 0.458 306 A N 0.422 123.241 122.820 -0.001 0.000 1.831 306 A HA 0.239 4.559 4.320 -0.000 0.000 0.213 306 A C 0.964 178.566 177.584 0.030 0.000 1.223 306 A CA 0.431 52.468 52.037 -0.000 0.000 0.604 306 A CB -0.749 18.225 19.000 -0.043 0.000 0.878 306 A HN 0.380 nan 8.150 nan 0.000 0.450 307 I N 2.692 123.268 120.570 0.010 0.000 2.907 307 I HA -0.018 4.152 4.170 -0.000 0.000 0.285 307 I C -1.782 174.369 176.117 0.057 0.000 1.189 307 I CA -0.756 60.567 61.300 0.037 0.000 1.376 307 I CB 0.381 38.390 38.000 0.016 0.000 1.420 307 I HN 0.253 nan 8.210 nan 0.000 0.544 308 P HA -0.016 nan 4.420 nan 0.000 0.232 308 P C -0.005 177.311 177.300 0.026 0.000 1.738 308 P CA -0.276 62.854 63.100 0.049 0.000 0.948 308 P CB -0.465 31.271 31.700 0.061 0.000 1.943 309 E N 0.504 120.715 120.200 0.019 0.000 2.458 309 E HA -0.007 4.342 4.350 -0.000 0.000 0.264 309 E C 1.107 177.696 176.600 -0.020 0.000 1.097 309 E CA 0.793 57.196 56.400 0.005 0.000 0.973 309 E CB -0.421 29.284 29.700 0.008 0.000 0.963 309 E HN 0.365 nan 8.360 nan 0.000 0.451 310 G N 0.932 109.714 108.800 -0.031 0.000 2.317 310 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.227 310 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.227 310 G C 0.718 175.580 174.900 -0.062 0.000 1.042 310 G CA 0.399 45.465 45.100 -0.057 0.000 0.623 310 G HN 0.549 nan 8.290 nan 0.000 0.509 311 L N 2.477 123.678 121.223 -0.036 0.000 1.989 311 L HA 0.149 4.489 4.340 -0.000 0.000 0.211 311 L C 0.178 177.040 176.870 -0.015 0.000 1.071 311 L CA 3.301 58.131 54.840 -0.018 0.000 0.749 311 L CB -1.287 40.790 42.059 0.029 0.000 0.890 311 L HN 0.255 nan 8.230 nan 0.000 0.431 312 P HA -0.162 nan 4.420 nan 0.000 0.219 312 P C 1.056 178.342 177.300 -0.024 0.000 1.144 312 P CA 1.856 64.952 63.100 -0.006 0.000 0.806 312 P CB -0.145 31.546 31.700 -0.014 0.000 0.771 313 A N -1.666 121.126 122.820 -0.046 0.000 2.063 313 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 313 A C 2.071 179.597 177.584 -0.096 0.000 1.177 313 A CA 0.527 52.530 52.037 -0.057 0.000 0.759 313 A CB -0.923 18.041 19.000 -0.061 0.000 0.857 313 A HN -0.019 nan 8.150 nan 0.000 0.468 314 V N 0.551 120.376 119.914 -0.148 0.000 2.379 314 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 314 V C 2.369 178.287 176.094 -0.294 0.000 1.044 314 V CA 1.815 63.934 62.300 -0.301 0.000 1.036 314 V CB -0.700 30.848 31.823 -0.459 0.000 0.664 314 V HN 0.545 nan 8.190 nan 0.000 0.453 315 I N 0.342 120.850 120.570 -0.104 0.000 2.090 315 I HA -0.259 3.911 4.170 -0.000 0.000 0.236 315 I C 2.616 178.744 176.117 0.017 0.000 1.064 315 I CA 2.080 63.414 61.300 0.057 0.000 1.324 315 I CB -0.951 37.118 38.000 0.115 0.000 1.044 315 I HN 0.288 nan 8.210 nan 0.000 0.399 316 T N 0.224 114.780 114.554 0.003 0.000 2.760 316 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 316 T C 1.789 176.490 174.700 0.002 0.000 1.047 316 T CA 2.120 64.226 62.100 0.009 0.000 1.139 316 T CB -0.528 68.348 68.868 0.014 0.000 0.855 316 T HN 0.429 nan 8.240 nan 0.000 0.471 317 T N 0.673 115.206 114.554 -0.035 0.000 2.770 317 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 317 T C 2.289 176.961 174.700 -0.046 0.000 1.039 317 T CA 1.106 63.182 62.100 -0.040 0.000 1.142 317 T CB -0.818 67.997 68.868 -0.088 0.000 0.868 317 T HN 0.554 nan 8.240 nan 0.000 0.435 318 C N 1.395 120.645 119.300 -0.083 0.000 2.413 318 C HA -0.043 4.417 4.460 -0.000 0.000 0.276 318 C C 2.519 177.514 174.990 0.009 0.000 1.236 318 C CA 0.529 59.513 59.018 -0.058 0.000 1.735 318 C CB -1.469 26.298 27.740 0.046 0.000 2.031 318 C HN 0.360 nan 8.230 nan 0.000 0.474 319 L N 1.838 123.079 121.223 0.030 0.000 1.989 319 L HA -0.034 4.306 4.340 -0.000 0.000 0.211 319 L C 2.951 179.834 176.870 0.022 0.000 1.071 319 L CA 2.440 57.299 54.840 0.030 0.000 0.749 319 L CB -1.571 40.507 42.059 0.031 0.000 0.890 319 L HN 0.440 nan 8.230 nan 0.000 0.431 320 A N -0.671 122.162 122.820 0.022 0.000 1.917 320 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 320 A C 2.329 179.933 177.584 0.033 0.000 1.182 320 A CA 1.990 54.043 52.037 0.026 0.000 0.633 320 A CB -0.864 18.160 19.000 0.041 0.000 0.819 320 A HN 0.423 nan 8.150 nan 0.000 0.448 321 L N -1.041 120.209 121.223 0.044 0.000 2.093 321 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 321 L C 2.854 179.754 176.870 0.049 0.000 1.085 321 L CA 0.982 55.861 54.840 0.064 0.000 0.755 321 L CB -0.938 41.191 42.059 0.116 0.000 0.904 321 L HN 0.491 nan 8.230 nan 0.000 0.435 322 G N -0.434 108.390 108.800 0.041 0.000 2.421 322 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.216 322 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.216 322 G C 1.579 176.489 174.900 0.016 0.000 1.171 322 G CA 1.287 46.406 45.100 0.030 0.000 0.775 322 G HN 0.260 nan 8.290 nan 0.000 0.543 323 T N 0.547 115.108 114.554 0.011 0.000 2.665 323 T HA -0.129 4.220 4.350 -0.000 0.000 0.268 323 T C 2.460 177.160 174.700 0.000 0.000 1.035 323 T CA 1.307 63.407 62.100 0.000 0.000 1.151 323 T CB -0.168 68.696 68.868 -0.006 0.000 0.862 323 T HN 0.247 nan 8.240 nan 0.000 0.438 324 R N 0.264 120.769 120.500 0.008 0.000 2.096 324 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 324 R C 2.729 179.032 176.300 0.004 0.000 1.127 324 R CA 1.032 57.136 56.100 0.008 0.000 0.968 324 R CB -0.161 30.150 30.300 0.018 0.000 0.861 324 R HN 0.281 nan 8.270 nan 0.000 0.440 325 R N 0.420 120.923 120.500 0.006 0.000 2.066 325 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 325 R C 2.250 178.548 176.300 -0.004 0.000 1.131 325 R CA 1.462 57.562 56.100 -0.000 0.000 0.955 325 R CB -0.033 30.269 30.300 0.004 0.000 0.851 325 R HN 0.146 nan 8.270 nan 0.000 0.432 326 M N -0.296 119.302 119.600 -0.005 0.000 2.159 326 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 326 M C 2.414 178.707 176.300 -0.013 0.000 1.063 326 M CA 1.604 56.898 55.300 -0.011 0.000 1.110 326 M CB -0.211 32.381 32.600 -0.014 0.000 1.374 326 M HN 0.255 nan 8.290 nan 0.000 0.411 327 A N 0.349 123.163 122.820 -0.011 0.000 1.908 327 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 327 A C 2.211 179.789 177.584 -0.009 0.000 1.181 327 A CA 1.589 53.619 52.037 -0.012 0.000 0.627 327 A CB -0.572 18.422 19.000 -0.010 0.000 0.818 327 A HN 0.284 nan 8.150 nan 0.000 0.445 328 K N -0.300 120.095 120.400 -0.007 0.000 2.152 328 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 328 K C 0.988 177.584 176.600 -0.007 0.000 1.048 328 K CA 0.997 57.280 56.287 -0.006 0.000 0.933 328 K CB -0.090 32.407 32.500 -0.006 0.000 0.721 328 K HN 0.264 nan 8.250 nan 0.000 0.447 329 K N 1.081 121.475 120.400 -0.010 0.000 2.476 329 K HA 0.035 4.355 4.320 -0.000 0.000 0.196 329 K C -0.088 176.504 176.600 -0.014 0.000 1.025 329 K CA -0.041 56.240 56.287 -0.011 0.000 1.138 329 K CB -0.061 32.430 32.500 -0.014 0.000 0.860 329 K HN 0.147 nan 8.250 nan 0.000 0.515 330 N N -0.170 118.523 118.700 -0.013 0.000 2.815 330 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 330 N C -0.781 174.717 175.510 -0.021 0.000 1.114 330 N CA 0.977 54.018 53.050 -0.014 0.000 0.717 330 N CB -1.273 37.208 38.487 -0.010 0.000 1.074 330 N HN 0.270 nan 8.380 nan 0.000 0.555 331 A N 0.687 123.492 122.820 -0.024 0.000 2.483 331 A HA 0.552 4.872 4.320 -0.000 0.000 0.308 331 A C 0.267 177.834 177.584 -0.028 0.000 1.291 331 A CA -0.564 51.454 52.037 -0.032 0.000 0.774 331 A CB 0.580 19.557 19.000 -0.038 0.000 1.134 331 A HN 0.165 nan 8.150 nan 0.000 0.471 332 I N 3.241 123.794 120.570 -0.028 0.000 2.379 332 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 332 I C 0.000 176.098 176.117 -0.032 0.000 1.063 332 I CA -0.078 61.205 61.300 -0.028 0.000 1.351 332 I CB 0.669 38.653 38.000 -0.027 0.000 1.410 332 I HN 0.226 nan 8.210 nan 0.000 0.505 333 V N 8.688 128.583 119.914 -0.032 0.000 2.364 333 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 333 V C 1.414 177.485 176.094 -0.038 0.000 1.036 333 V CA -0.468 61.812 62.300 -0.033 0.000 0.880 333 V CB 1.081 32.887 31.823 -0.028 0.000 0.991 333 V HN 0.682 nan 8.190 nan 0.000 0.460 334 R N 2.297 122.774 120.500 -0.039 0.000 2.254 334 R HA 0.151 4.491 4.340 -0.000 0.000 0.195 334 R C 0.720 176.994 176.300 -0.044 0.000 0.957 334 R CA 0.271 56.345 56.100 -0.044 0.000 1.024 334 R CB 0.404 30.680 30.300 -0.039 0.000 0.952 334 R HN 0.522 nan 8.270 nan 0.000 0.484 335 S N 0.578 116.255 115.700 -0.037 0.000 2.745 335 S HA 0.281 4.751 4.470 -0.000 0.000 0.283 335 S C 0.879 175.463 174.600 -0.026 0.000 1.170 335 S CA -0.599 57.582 58.200 -0.033 0.000 1.119 335 S CB 0.620 63.802 63.200 -0.030 0.000 1.035 335 S HN 0.140 nan 8.310 nan 0.000 0.483 336 L N 4.528 125.737 121.223 -0.024 0.000 2.021 336 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 336 L C -0.814 176.055 176.870 -0.003 0.000 1.074 336 L CA 1.584 56.417 54.840 -0.012 0.000 0.760 336 L CB -1.416 40.639 42.059 -0.008 0.000 0.889 336 L HN 0.469 nan 8.230 nan 0.000 0.433 337 P HA -0.146 nan 4.420 nan 0.000 0.223 337 P C 1.618 178.914 177.300 -0.007 0.000 1.144 337 P CA 1.507 64.608 63.100 0.002 0.000 0.783 337 P CB -0.070 31.629 31.700 -0.002 0.000 0.771 338 S N -1.951 113.739 115.700 -0.015 0.000 2.496 338 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 338 S C 1.826 176.411 174.600 -0.025 0.000 0.996 338 S CA 0.503 58.688 58.200 -0.024 0.000 0.927 338 S CB -1.458 61.725 63.200 -0.029 0.000 0.774 338 S HN -0.048 nan 8.310 nan 0.000 0.524 339 V N 2.487 122.392 119.914 -0.014 0.000 2.332 339 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 339 V C 2.994 179.085 176.094 -0.005 0.000 1.055 339 V CA 2.183 64.478 62.300 -0.009 0.000 1.038 339 V CB -0.800 31.026 31.823 0.004 0.000 0.651 339 V HN 0.606 nan 8.190 nan 0.000 0.450 340 E N 0.644 120.847 120.200 0.005 0.000 2.072 340 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 340 E C 2.149 178.704 176.600 -0.074 0.000 0.985 340 E CA 1.949 58.351 56.400 0.004 0.000 0.801 340 E CB -0.177 29.550 29.700 0.045 0.000 0.750 340 E HN 0.649 nan 8.360 nan 0.000 0.452 341 T N 1.943 116.455 114.554 -0.069 0.000 2.915 341 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 341 T C 1.948 176.601 174.700 -0.079 0.000 1.071 341 T CA 0.499 62.547 62.100 -0.087 0.000 1.132 341 T CB -0.126 68.705 68.868 -0.063 0.000 0.878 341 T HN 0.140 nan 8.240 nan 0.000 0.479 342 L N 0.887 122.074 121.223 -0.061 0.000 2.141 342 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 342 L C 2.645 179.479 176.870 -0.060 0.000 1.094 342 L CA 1.202 56.007 54.840 -0.059 0.000 0.763 342 L CB -0.620 41.407 42.059 -0.053 0.000 0.908 342 L HN 0.397 nan 8.230 nan 0.000 0.437 343 G N -1.886 106.877 108.800 -0.061 0.000 2.484 343 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 343 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 343 G C 1.328 176.182 174.900 -0.077 0.000 1.130 343 G CA 0.518 45.586 45.100 -0.054 0.000 0.784 343 G HN 0.469 nan 8.290 nan 0.000 0.543 344 C N 2.313 121.547 119.300 -0.110 0.000 2.525 344 C HA 0.408 4.868 4.460 -0.000 0.000 0.313 344 C C 1.050 175.993 174.990 -0.079 0.000 1.311 344 C CA -0.521 58.424 59.018 -0.120 0.000 1.725 344 C CB -1.882 25.750 27.740 -0.181 0.000 1.926 344 C HN 0.187 nan 8.230 nan 0.000 0.595 345 T N 0.976 115.493 114.554 -0.061 0.000 2.814 345 T HA 0.187 4.537 4.350 -0.000 0.000 0.297 345 T C 1.210 175.890 174.700 -0.032 0.000 0.956 345 T CA 0.466 62.539 62.100 -0.045 0.000 1.123 345 T CB 1.280 70.121 68.868 -0.045 0.000 0.902 345 T HN 0.650 nan 8.240 nan 0.000 0.528 346 S N 1.649 117.336 115.700 -0.023 0.000 2.514 346 S HA 0.261 4.731 4.470 -0.000 0.000 0.223 346 S C 0.398 174.995 174.600 -0.006 0.000 1.046 346 S CA -0.340 57.852 58.200 -0.014 0.000 0.914 346 S CB 0.310 63.504 63.200 -0.011 0.000 0.807 346 S HN 0.433 nan 8.310 nan 0.000 0.497 347 V N 2.197 122.110 119.914 -0.002 0.000 2.638 347 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 347 V C -0.973 175.126 176.094 0.009 0.000 1.052 347 V CA -0.803 61.502 62.300 0.008 0.000 0.885 347 V CB 1.763 33.594 31.823 0.015 0.000 0.999 347 V HN 0.362 nan 8.190 nan 0.000 0.424 348 I N 3.258 123.843 120.570 0.024 0.000 2.354 348 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 348 I C -0.373 175.779 176.117 0.058 0.000 1.007 348 I CA -0.171 61.150 61.300 0.035 0.000 1.167 348 I CB 1.425 39.460 38.000 0.059 0.000 1.320 348 I HN 0.553 nan 8.210 nan 0.000 0.458 349 C N 4.412 123.736 119.300 0.041 0.000 2.369 349 C HA 0.502 4.962 4.460 -0.000 0.000 0.358 349 C C 0.722 175.751 174.990 0.066 0.000 1.274 349 C CA -0.135 58.907 59.018 0.040 0.000 1.935 349 C CB 0.570 28.313 27.740 0.005 0.000 2.431 349 C HN 0.778 nan 8.230 nan 0.000 0.545 350 S N 1.730 117.476 115.700 0.077 0.000 2.538 350 S HA 0.393 4.863 4.470 -0.000 0.000 0.288 350 S C -0.837 173.791 174.600 0.047 0.000 1.108 350 S CA -0.494 57.768 58.200 0.103 0.000 0.971 350 S CB 1.075 64.387 63.200 0.188 0.000 1.041 350 S HN 0.849 nan 8.310 nan 0.000 0.483 351 D N 2.382 122.811 120.400 0.047 0.000 2.361 351 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 351 D C 0.869 177.169 176.300 0.000 0.000 1.200 351 D CA 0.162 54.174 54.000 0.019 0.000 0.915 351 D CB 0.843 41.655 40.800 0.021 0.000 1.170 351 D HN 0.579 nan 8.370 nan 0.000 0.444 352 K N -0.100 120.291 120.400 -0.016 0.000 2.230 352 K HA 0.090 4.410 4.320 -0.000 0.000 0.219 352 K C 0.068 176.647 176.600 -0.034 0.000 1.033 352 K CA -0.008 56.255 56.287 -0.040 0.000 0.937 352 K CB -0.179 32.298 32.500 -0.040 0.000 1.018 352 K HN 0.440 nan 8.250 nan 0.000 0.463 353 T N 1.040 115.581 114.554 -0.022 0.000 2.829 353 T HA 0.202 4.552 4.350 -0.000 0.000 0.293 353 T C 0.630 175.326 174.700 -0.008 0.000 0.970 353 T CA 0.903 62.993 62.100 -0.018 0.000 1.168 353 T CB 0.553 69.415 68.868 -0.010 0.000 0.911 353 T HN 0.691 nan 8.240 nan 0.000 0.535 354 G N 3.277 112.070 108.800 -0.011 0.000 2.184 354 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 354 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 354 G C 0.816 175.725 174.900 0.014 0.000 0.975 354 G CA 0.704 45.805 45.100 0.001 0.000 0.642 354 G HN 0.716 nan 8.290 nan 0.000 0.536 355 T N -0.590 113.971 114.554 0.012 0.000 3.311 355 T HA 0.298 4.648 4.350 -0.000 0.000 0.239 355 T C 1.926 176.629 174.700 0.006 0.000 0.976 355 T CA 0.954 63.084 62.100 0.051 0.000 1.283 355 T CB -0.116 68.796 68.868 0.073 0.000 1.113 355 T HN 0.044 nan 8.240 nan 0.000 0.392 356 L N 1.995 123.170 121.223 -0.080 0.000 2.270 356 L HA 0.258 4.598 4.340 -0.000 0.000 0.210 356 L C 1.523 178.314 176.870 -0.132 0.000 1.104 356 L CA 1.109 55.830 54.840 -0.198 0.000 0.804 356 L CB -0.856 41.060 42.059 -0.238 0.000 0.937 356 L HN 0.474 nan 8.230 nan 0.000 0.450 357 T N -5.465 109.039 114.554 -0.084 0.000 2.937 357 T HA 0.325 4.675 4.350 -0.000 0.000 0.283 357 T C 1.191 175.858 174.700 -0.055 0.000 1.012 357 T CA 0.154 62.211 62.100 -0.073 0.000 0.997 357 T CB 1.326 70.154 68.868 -0.066 0.000 1.136 357 T HN 0.155 nan 8.240 nan 0.000 0.551 358 T N -1.969 112.546 114.554 -0.066 0.000 3.067 358 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 358 T C 0.975 175.637 174.700 -0.064 0.000 1.105 358 T CA 0.707 62.768 62.100 -0.065 0.000 1.104 358 T CB -0.873 67.939 68.868 -0.093 0.000 0.925 358 T HN 0.962 nan 8.240 nan 0.000 0.498 359 N N 1.035 119.696 118.700 -0.065 0.000 2.783 359 N HA -0.170 4.570 4.740 -0.000 0.000 0.247 359 N C -1.211 174.261 175.510 -0.063 0.000 1.089 359 N CA 0.218 53.246 53.050 -0.036 0.000 0.690 359 N CB -0.844 37.645 38.487 0.003 0.000 0.991 359 N HN 0.701 nan 8.380 nan 0.000 0.552 360 Q N 1.013 120.689 119.800 -0.208 0.000 2.414 360 Q HA 0.291 4.631 4.340 -0.000 0.000 0.256 360 Q C -0.306 175.426 176.000 -0.447 0.000 0.974 360 Q CA -0.692 54.756 55.803 -0.592 0.000 0.723 360 Q CB 1.386 29.601 28.738 -0.871 0.000 1.281 360 Q HN 0.225 nan 8.270 nan 0.000 0.470 361 M N 1.760 121.256 119.600 -0.174 0.000 2.260 361 M HA 0.110 4.590 4.480 -0.000 0.000 0.348 361 M C -0.269 175.979 176.300 -0.086 0.000 1.342 361 M CA 1.003 56.277 55.300 -0.043 0.000 1.040 361 M CB 0.200 32.858 32.600 0.098 0.000 1.810 361 M HN 0.476 nan 8.290 nan 0.000 0.453 362 S N 2.517 118.168 115.700 -0.082 0.000 2.547 362 S HA 0.535 5.005 4.470 -0.000 0.000 0.281 362 S C -0.612 173.954 174.600 -0.057 0.000 1.118 362 S CA -0.859 57.294 58.200 -0.078 0.000 0.947 362 S CB 2.133 65.263 63.200 -0.116 0.000 1.053 362 S HN 0.454 nan 8.310 nan 0.000 0.482 363 V N 2.752 122.639 119.914 -0.045 0.000 2.408 363 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 363 V C 0.988 177.036 176.094 -0.077 0.000 1.047 363 V CA -0.353 61.915 62.300 -0.053 0.000 0.937 363 V CB 0.257 32.055 31.823 -0.041 0.000 0.999 363 V HN 1.225 nan 8.190 nan 0.000 0.472 364 C N 2.550 121.784 119.300 -0.110 0.000 3.392 364 C HA 0.527 4.987 4.460 -0.000 0.000 0.301 364 C C 0.557 175.441 174.990 -0.178 0.000 1.354 364 C CA -0.719 58.220 59.018 -0.132 0.000 1.732 364 C CB -1.070 26.584 27.740 -0.143 0.000 2.269 364 C HN 0.743 nan 8.230 nan 0.000 0.673 365 K N 1.311 121.576 120.400 -0.225 0.000 2.527 365 K HA 0.759 5.079 4.320 -0.000 0.000 0.260 365 K C -1.044 175.532 176.600 -0.040 0.000 0.937 365 K CA -0.294 55.808 56.287 -0.308 0.000 0.826 365 K CB 2.286 34.167 32.500 -1.032 0.000 1.359 365 K HN 0.530 nan 8.250 nan 0.000 0.434 366 M N 0.718 120.469 119.600 0.252 0.000 2.605 366 M HA 0.603 5.083 4.480 -0.000 0.000 0.281 366 M C -1.800 174.823 176.300 0.538 0.000 1.166 366 M CA -0.978 54.528 55.300 0.342 0.000 0.875 366 M CB 1.674 34.311 32.600 0.063 0.000 1.732 366 M HN 0.584 nan 8.290 nan 0.000 0.504 367 F N 1.527 121.682 119.950 0.341 0.000 2.662 367 F HA 0.954 5.481 4.527 -0.000 0.000 0.312 367 F C -1.638 174.262 175.800 0.168 0.000 1.113 367 F CA -1.052 57.109 58.000 0.269 0.000 0.951 367 F CB 1.486 40.563 39.000 0.129 0.000 1.344 367 F HN 0.854 nan 8.300 nan 0.000 0.462 368 I N -0.048 120.861 120.570 0.566 0.000 3.174 368 I HA 0.599 4.769 4.170 -0.000 0.000 0.313 368 I C -1.195 175.185 176.117 0.437 0.000 1.155 368 I CA -1.455 60.091 61.300 0.410 0.000 0.977 368 I CB 2.142 40.264 38.000 0.203 0.000 1.248 368 I HN 0.483 nan 8.210 nan 0.000 0.453 369 I N 2.396 123.174 120.570 0.348 0.000 2.529 369 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 369 I C 0.619 176.832 176.117 0.160 0.000 1.082 369 I CA 0.408 61.836 61.300 0.213 0.000 1.406 369 I CB 0.565 38.677 38.000 0.188 0.000 1.405 369 I HN 0.810 nan 8.210 nan 0.000 0.548 370 D N 4.928 125.382 120.400 0.091 0.000 2.255 370 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 370 D C 0.333 176.691 176.300 0.097 0.000 0.997 370 D CA 1.266 55.331 54.000 0.108 0.000 0.906 370 D CB 0.638 41.480 40.800 0.069 0.000 1.047 370 D HN 0.678 nan 8.370 nan 0.000 0.458 371 K N -0.878 119.550 120.400 0.047 0.000 2.546 371 K HA 0.569 4.889 4.320 -0.000 0.000 0.264 371 K C -1.726 174.871 176.600 -0.005 0.000 0.937 371 K CA -0.943 55.387 56.287 0.072 0.000 0.833 371 K CB 2.300 34.893 32.500 0.155 0.000 1.378 371 K HN -0.127 nan 8.250 nan 0.000 0.432 372 V N 1.382 121.318 119.914 0.037 0.000 2.680 372 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 372 V C -1.094 175.057 176.094 0.096 0.000 1.052 372 V CA -0.405 61.900 62.300 0.008 0.000 0.908 372 V CB 1.733 33.560 31.823 0.007 0.000 1.001 372 V HN 0.992 nan 8.190 nan 0.000 0.431 373 D N 2.628 123.104 120.400 0.127 0.000 2.362 373 D HA 0.406 5.046 4.640 -0.000 0.000 0.228 373 D C 0.326 176.711 176.300 0.141 0.000 1.326 373 D CA 0.773 54.865 54.000 0.153 0.000 0.927 373 D CB 1.390 42.318 40.800 0.213 0.000 1.501 373 D HN 0.940 nan 8.370 nan 0.000 0.519 374 G N 4.275 113.122 108.800 0.079 0.000 2.574 374 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.286 374 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.286 374 G C 0.638 175.572 174.900 0.056 0.000 1.212 374 G CA 0.529 45.665 45.100 0.060 0.000 0.979 374 G HN 0.512 nan 8.290 nan 0.000 0.557 375 D N 0.312 120.750 120.400 0.063 0.000 2.392 375 D HA 0.184 4.824 4.640 -0.000 0.000 0.228 375 D C 0.723 177.072 176.300 0.081 0.000 1.003 375 D CA 0.783 54.811 54.000 0.047 0.000 0.917 375 D CB -0.064 40.761 40.800 0.042 0.000 0.890 375 D HN 0.276 nan 8.370 nan 0.000 0.532 376 F N 1.179 121.112 119.950 -0.027 0.000 2.415 376 F HA 0.383 4.909 4.527 -0.000 0.000 0.348 376 F C -0.799 174.982 175.800 -0.032 0.000 1.119 376 F CA -1.476 56.505 58.000 -0.031 0.000 1.069 376 F CB 1.074 40.060 39.000 -0.023 0.000 1.124 376 F HN -0.172 nan 8.300 nan 0.000 0.472 377 C N 6.775 125.496 119.300 -0.964 0.000 2.505 377 C HA 0.744 5.204 4.460 -0.000 0.000 0.342 377 C C -0.930 173.525 174.990 -0.890 0.000 1.121 377 C CA -0.200 58.338 59.018 -0.800 0.000 1.306 377 C CB -0.156 27.351 27.740 -0.387 0.000 1.897 377 C HN 1.001 nan 8.230 nan 0.000 0.446 378 S N 6.510 121.727 115.700 -0.805 0.000 2.501 378 S HA 0.847 5.317 4.470 -0.000 0.000 0.301 378 S C -0.811 173.646 174.600 -0.238 0.000 1.096 378 S CA -0.684 57.254 58.200 -0.437 0.000 1.063 378 S CB 1.139 64.228 63.200 -0.185 0.000 1.042 378 S HN 0.809 nan 8.310 nan 0.000 0.494 379 L N 2.004 123.095 121.223 -0.221 0.000 2.334 379 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 379 L C -0.127 176.697 176.870 -0.078 0.000 1.020 379 L CA -1.063 53.675 54.840 -0.171 0.000 0.812 379 L CB 0.980 42.783 42.059 -0.426 0.000 1.264 379 L HN 0.608 nan 8.230 nan 0.000 0.439 380 N N 1.723 120.438 118.700 0.026 0.000 2.527 380 N HA 0.237 4.977 4.740 -0.000 0.000 0.236 380 N C -0.882 174.597 175.510 -0.051 0.000 0.999 380 N CA -0.223 52.779 53.050 -0.080 0.000 0.935 380 N CB 0.919 39.408 38.487 0.003 0.000 1.132 380 N HN 0.561 nan 8.380 nan 0.000 0.511 381 E N 1.543 121.648 120.200 -0.159 0.000 2.266 381 E HA 0.443 4.793 4.350 -0.000 0.000 0.277 381 E C -0.640 175.837 176.600 -0.205 0.000 1.018 381 E CA -0.291 56.161 56.400 0.086 0.000 0.840 381 E CB 1.185 30.997 29.700 0.185 0.000 1.082 381 E HN 0.306 nan 8.360 nan 0.000 0.395 382 F N 0.112 120.137 119.950 0.125 0.000 2.640 382 F HA 0.447 4.974 4.527 -0.000 0.000 0.324 382 F C 0.061 175.868 175.800 0.012 0.000 1.077 382 F CA -0.843 57.167 58.000 0.017 0.000 0.965 382 F CB 1.904 40.868 39.000 -0.061 0.000 1.351 382 F HN 0.361 nan 8.300 nan 0.000 0.487 383 S N 1.695 117.505 115.700 0.183 0.000 2.548 383 S HA 0.893 5.363 4.470 -0.000 0.000 0.286 383 S C -1.548 173.071 174.600 0.033 0.000 1.098 383 S CA -0.760 57.467 58.200 0.045 0.000 0.930 383 S CB 1.943 65.141 63.200 -0.003 0.000 1.070 383 S HN 0.456 nan 8.310 nan 0.000 0.480 384 I N 1.816 122.373 120.570 -0.022 0.000 2.498 384 I HA 0.465 4.635 4.170 -0.000 0.000 0.290 384 I C 0.447 176.538 176.117 -0.044 0.000 1.032 384 I CA -0.577 60.706 61.300 -0.029 0.000 1.073 384 I CB 1.002 38.974 38.000 -0.046 0.000 1.251 384 I HN 0.919 nan 8.210 nan 0.000 0.426 385 T N 0.872 115.405 114.554 -0.034 0.000 2.881 385 T HA 0.810 5.160 4.350 -0.000 0.000 0.278 385 T C 0.373 175.046 174.700 -0.046 0.000 0.982 385 T CA -0.267 61.809 62.100 -0.039 0.000 0.989 385 T CB 1.721 70.573 68.868 -0.026 0.000 1.058 385 T HN 1.566 nan 8.240 nan 0.000 0.529 386 G N 0.036 108.806 108.800 -0.049 0.000 3.055 386 G HA2 0.226 4.186 3.960 -0.000 0.000 0.685 386 G HA3 0.226 4.186 3.960 -0.000 0.000 0.685 386 G C 0.047 174.901 174.900 -0.075 0.000 1.212 386 G CA -0.163 44.904 45.100 -0.056 0.000 0.822 386 G HN 1.542 nan 8.290 nan 0.000 0.610 387 S N -0.922 114.728 115.700 -0.084 0.000 2.666 387 S HA 0.539 5.009 4.470 -0.000 0.000 0.239 387 S C 1.019 175.520 174.600 -0.167 0.000 1.031 387 S CA 1.033 59.166 58.200 -0.113 0.000 1.015 387 S CB 0.591 63.736 63.200 -0.092 0.000 0.981 387 S HN 2.005 nan 8.310 nan 0.000 0.547 388 T N -1.641 112.822 114.554 -0.151 0.000 2.905 388 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 388 T C 0.064 174.649 174.700 -0.192 0.000 1.031 388 T CA -0.660 61.319 62.100 -0.201 0.000 1.002 388 T CB 0.409 69.238 68.868 -0.065 0.000 1.200 388 T HN -0.027 nan 8.240 nan 0.000 0.560 389 Y N 0.393 120.696 120.300 0.004 0.000 2.529 389 Y HA 0.485 5.035 4.550 -0.000 0.000 0.290 389 Y C 1.765 177.622 175.900 -0.071 0.000 1.177 389 Y CA -0.348 57.746 58.100 -0.010 0.000 1.305 389 Y CB -0.948 37.531 38.460 0.031 0.000 1.047 389 Y HN 0.836 nan 8.280 nan 0.000 0.522 390 A N 1.432 124.272 122.820 0.034 0.000 2.462 390 A HA 0.242 4.562 4.320 -0.000 0.000 0.243 390 A C -1.997 175.422 177.584 -0.275 0.000 1.076 390 A CA -1.165 50.733 52.037 -0.232 0.000 0.773 390 A CB -0.084 18.910 19.000 -0.009 0.000 1.010 390 A HN 0.059 nan 8.150 nan 0.000 0.493 391 P HA 0.196 nan 4.420 nan 0.000 0.228 391 P C -0.882 176.324 177.300 -0.157 0.000 1.748 391 P CA 0.475 63.422 63.100 -0.256 0.000 0.909 391 P CB -0.307 31.225 31.700 -0.280 0.000 1.882 392 E N 0.707 120.841 120.200 -0.111 0.000 2.216 392 E HA 0.680 5.029 4.350 -0.000 0.000 0.260 392 E C 0.259 176.833 176.600 -0.042 0.000 0.880 392 E CA -0.748 55.620 56.400 -0.054 0.000 0.765 392 E CB 1.851 31.539 29.700 -0.021 0.000 1.174 392 E HN 0.206 nan 8.360 nan 0.000 0.417 393 G N 2.267 111.047 108.800 -0.033 0.000 2.337 393 G HA2 0.172 4.132 3.960 -0.000 0.000 0.298 393 G HA3 0.172 4.132 3.960 -0.000 0.000 0.298 393 G C -1.492 173.394 174.900 -0.023 0.000 1.335 393 G CA -0.848 44.235 45.100 -0.028 0.000 0.875 393 G HN 0.392 nan 8.290 nan 0.000 0.579 394 E N -1.562 118.629 120.200 -0.016 0.000 2.393 394 E HA 0.581 4.930 4.350 -0.000 0.000 0.273 394 E C -0.943 175.658 176.600 0.002 0.000 0.918 394 E CA -0.918 55.479 56.400 -0.005 0.000 0.773 394 E CB 3.066 32.771 29.700 0.008 0.000 1.275 394 E HN 0.377 nan 8.360 nan 0.000 0.451 395 V N 2.865 122.787 119.914 0.014 0.000 2.407 395 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 395 V C -0.279 175.878 176.094 0.105 0.000 1.037 395 V CA -0.455 61.868 62.300 0.040 0.000 0.900 395 V CB 0.493 32.314 31.823 -0.003 0.000 0.983 395 V HN 0.418 nan 8.190 nan 0.000 0.459 396 L N 4.693 125.991 121.223 0.125 0.000 2.322 396 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 396 L C -0.249 176.699 176.870 0.131 0.000 1.014 396 L CA -0.828 54.080 54.840 0.115 0.000 0.815 396 L CB 1.897 43.989 42.059 0.055 0.000 1.247 396 L HN 0.520 nan 8.230 nan 0.000 0.421 397 K N 3.978 124.426 120.400 0.080 0.000 2.404 397 K HA 0.327 4.647 4.320 -0.000 0.000 0.257 397 K C -0.127 176.442 176.600 -0.052 0.000 1.026 397 K CA -0.147 56.086 56.287 -0.091 0.000 0.951 397 K CB 0.282 32.730 32.500 -0.087 0.000 1.203 397 K HN 0.524 nan 8.250 nan 0.000 0.446 398 N N 4.064 122.725 118.700 -0.066 0.000 2.780 398 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 398 N C -1.032 174.474 175.510 -0.005 0.000 1.102 398 N CA 1.349 54.380 53.050 -0.031 0.000 0.697 398 N CB -1.190 37.281 38.487 -0.026 0.000 1.028 398 N HN 0.930 nan 8.380 nan 0.000 0.554 399 D N -2.030 118.371 120.400 0.002 0.000 2.978 399 D HA -0.198 4.442 4.640 -0.000 0.000 0.205 399 D C -0.345 175.967 176.300 0.019 0.000 1.093 399 D CA 1.557 55.563 54.000 0.009 0.000 1.006 399 D CB -0.525 40.277 40.800 0.004 0.000 1.116 399 D HN 0.556 nan 8.370 nan 0.000 0.419 400 K N 0.416 120.833 120.400 0.027 0.000 2.235 400 K HA 0.457 4.777 4.320 -0.000 0.000 0.266 400 K C -2.708 173.929 176.600 0.061 0.000 0.980 400 K CA -1.958 54.352 56.287 0.038 0.000 0.849 400 K CB 1.688 34.210 32.500 0.037 0.000 1.098 400 K HN -0.138 nan 8.250 nan 0.000 0.445 401 P HA -0.047 nan 4.420 nan 0.000 0.264 401 P C -0.431 176.929 177.300 0.100 0.000 1.183 401 P CA 0.171 63.314 63.100 0.071 0.000 0.763 401 P CB 0.386 32.114 31.700 0.048 0.000 0.807 402 I N 0.166 120.817 120.570 0.136 0.000 3.343 402 I HA 0.566 4.736 4.170 -0.000 0.000 0.315 402 I C -0.967 175.242 176.117 0.154 0.000 1.153 402 I CA -1.548 59.861 61.300 0.183 0.000 0.952 402 I CB 2.045 40.248 38.000 0.339 0.000 1.287 402 I HN 0.142 nan 8.210 nan 0.000 0.472 403 R N 1.420 122.020 120.500 0.167 0.000 2.275 403 R HA 0.404 4.744 4.340 -0.000 0.000 0.326 403 R C 0.695 177.085 176.300 0.149 0.000 0.973 403 R CA -0.571 55.592 56.100 0.105 0.000 0.854 403 R CB 1.601 31.935 30.300 0.057 0.000 1.156 403 R HN 0.732 nan 8.270 nan 0.000 0.487 404 S N 2.115 117.857 115.700 0.069 0.000 2.380 404 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 404 S C 2.002 176.624 174.600 0.036 0.000 1.043 404 S CA 1.967 60.175 58.200 0.013 0.000 1.038 404 S CB -0.145 62.968 63.200 -0.145 0.000 0.872 404 S HN 0.919 nan 8.310 nan 0.000 0.456 405 G N 1.457 110.235 108.800 -0.037 0.000 2.499 405 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.221 405 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.221 405 G C 1.343 176.222 174.900 -0.034 0.000 1.109 405 G CA 0.754 45.806 45.100 -0.079 0.000 0.749 405 G HN 0.393 nan 8.290 nan 0.000 0.568 406 Q N -0.068 119.729 119.800 -0.006 0.000 2.079 406 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 406 Q C 0.510 176.399 176.000 -0.184 0.000 0.974 406 Q CA 0.544 56.269 55.803 -0.130 0.000 0.840 406 Q CB -0.329 28.261 28.738 -0.248 0.000 0.898 406 Q HN 0.540 nan 8.270 nan 0.000 0.430 407 F N 1.903 121.855 119.950 0.003 0.000 2.445 407 F HA 0.074 4.601 4.527 -0.000 0.000 0.359 407 F C 1.247 177.024 175.800 -0.039 0.000 1.101 407 F CA -0.482 57.530 58.000 0.021 0.000 1.177 407 F CB 0.698 39.744 39.000 0.077 0.000 1.110 407 F HN -0.112 nan 8.300 nan 0.000 0.522 408 D N 2.667 123.141 120.400 0.125 0.000 2.178 408 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 408 D C 2.337 178.658 176.300 0.035 0.000 0.974 408 D CA 1.232 55.262 54.000 0.050 0.000 0.841 408 D CB -0.297 40.529 40.800 0.043 0.000 0.953 408 D HN 0.775 nan 8.370 nan 0.000 0.478 409 G N 0.727 109.579 108.800 0.086 0.000 2.422 409 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 409 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 409 G C 1.674 176.542 174.900 -0.053 0.000 1.146 409 G CA 0.227 45.348 45.100 0.035 0.000 0.769 409 G HN 0.277 nan 8.290 nan 0.000 0.547 410 L N 0.355 121.536 121.223 -0.070 0.000 2.376 410 L HA 0.005 4.345 4.340 -0.000 0.000 0.219 410 L C 2.756 179.503 176.870 -0.206 0.000 1.133 410 L CA 0.001 54.723 54.840 -0.197 0.000 0.816 410 L CB -0.145 41.736 42.059 -0.297 0.000 0.933 410 L HN 0.088 nan 8.230 nan 0.000 0.449 411 V N -0.191 119.618 119.914 -0.175 0.000 2.488 411 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 411 V C 2.380 178.346 176.094 -0.214 0.000 1.046 411 V CA 1.664 63.805 62.300 -0.264 0.000 1.053 411 V CB -0.120 31.555 31.823 -0.246 0.000 0.679 411 V HN 0.465 nan 8.190 nan 0.000 0.458 412 E N 0.036 120.145 120.200 -0.151 0.000 2.112 412 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 412 E C 2.231 178.704 176.600 -0.212 0.000 0.979 412 E CA 0.791 57.099 56.400 -0.155 0.000 0.814 412 E CB -0.007 29.642 29.700 -0.085 0.000 0.762 412 E HN 0.551 nan 8.360 nan 0.000 0.460 413 L N 0.508 121.611 121.223 -0.200 0.000 2.012 413 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 413 L C 2.395 179.130 176.870 -0.225 0.000 1.073 413 L CA 1.824 56.532 54.840 -0.219 0.000 0.748 413 L CB -0.315 41.611 42.059 -0.220 0.000 0.891 413 L HN 0.202 nan 8.230 nan 0.000 0.431 414 A N -1.225 121.459 122.820 -0.227 0.000 1.969 414 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 414 A C 2.214 179.668 177.584 -0.217 0.000 1.169 414 A CA 2.089 54.000 52.037 -0.210 0.000 0.635 414 A CB -0.994 17.873 19.000 -0.222 0.000 0.810 414 A HN 0.525 nan 8.150 nan 0.000 0.445 415 T N 0.442 114.837 114.554 -0.264 0.000 2.746 415 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 415 T C 1.776 176.178 174.700 -0.496 0.000 1.039 415 T CA 1.528 63.425 62.100 -0.339 0.000 1.142 415 T CB -0.395 68.238 68.868 -0.391 0.000 0.866 415 T HN 0.458 nan 8.240 nan 0.000 0.444 416 I N 0.747 121.012 120.570 -0.507 0.000 2.226 416 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 416 I C 2.540 178.528 176.117 -0.215 0.000 1.100 416 I CA 0.849 61.897 61.300 -0.419 0.000 1.374 416 I CB -0.510 37.334 38.000 -0.260 0.000 1.057 416 I HN 0.314 nan 8.210 nan 0.000 0.413 417 C N 0.798 119.991 119.300 -0.178 0.000 2.432 417 C HA -0.034 4.426 4.460 -0.000 0.000 0.280 417 C C 3.048 177.983 174.990 -0.091 0.000 1.353 417 C CA 0.889 59.839 59.018 -0.112 0.000 1.766 417 C CB -1.227 26.448 27.740 -0.108 0.000 1.924 417 C HN 0.589 nan 8.230 nan 0.000 0.509 418 A N -0.178 122.573 122.820 -0.115 0.000 1.943 418 A HA 0.166 4.486 4.320 -0.000 0.000 0.213 418 A C 2.058 179.606 177.584 -0.061 0.000 1.181 418 A CA 0.851 52.842 52.037 -0.077 0.000 0.653 418 A CB -0.288 18.669 19.000 -0.071 0.000 0.833 418 A HN 0.544 nan 8.150 nan 0.000 0.451 419 L N -1.335 119.832 121.223 -0.093 0.000 2.102 419 L HA -0.018 4.322 4.340 -0.000 0.000 0.202 419 L C 1.631 178.513 176.870 0.020 0.000 1.076 419 L CA 0.457 55.279 54.840 -0.030 0.000 0.761 419 L CB -0.343 41.699 42.059 -0.029 0.000 0.921 419 L HN 0.415 nan 8.230 nan 0.000 0.444 420 C N 2.098 121.406 119.300 0.013 0.000 3.305 420 C HA 0.214 4.674 4.460 -0.000 0.000 0.566 420 C C 0.409 175.417 174.990 0.030 0.000 1.178 420 C CA -0.177 58.870 59.018 0.049 0.000 1.317 420 C CB -2.528 25.249 27.740 0.061 0.000 1.634 420 C HN 0.386 nan 8.230 nan 0.000 0.643 421 N N 0.367 119.082 118.700 0.024 0.000 2.371 421 N HA 0.259 4.999 4.740 -0.000 0.000 0.280 421 N C -0.675 174.848 175.510 0.021 0.000 1.084 421 N CA -0.444 52.617 53.050 0.017 0.000 0.892 421 N CB 1.223 39.708 38.487 -0.003 0.000 1.653 421 N HN 0.198 nan 8.380 nan 0.000 0.480 422 D N 0.873 121.287 120.400 0.022 0.000 2.440 422 D HA 0.220 4.860 4.640 -0.000 0.000 0.216 422 D C -0.422 175.882 176.300 0.007 0.000 1.150 422 D CA 0.386 54.399 54.000 0.022 0.000 0.832 422 D CB 0.720 41.539 40.800 0.032 0.000 0.992 422 D HN 0.286 nan 8.370 nan 0.000 0.502 423 S N -0.603 115.095 115.700 -0.004 0.000 2.798 423 S HA 0.786 5.256 4.470 -0.000 0.000 0.312 423 S C 0.115 174.701 174.600 -0.023 0.000 1.122 423 S CA -0.617 57.570 58.200 -0.021 0.000 0.949 423 S CB 2.212 65.388 63.200 -0.041 0.000 1.235 423 S HN 0.199 nan 8.310 nan 0.000 0.552 424 S N -0.545 115.133 115.700 -0.036 0.000 2.727 424 S HA 0.774 5.244 4.470 -0.000 0.000 0.278 424 S C -1.863 172.714 174.600 -0.037 0.000 1.186 424 S CA -0.661 57.525 58.200 -0.023 0.000 0.836 424 S CB 0.732 63.930 63.200 -0.003 0.000 1.186 424 S HN 0.461 nan 8.310 nan 0.000 0.499 425 L N 0.909 122.134 121.223 0.003 0.000 2.303 425 L HA 0.900 5.239 4.340 -0.000 0.000 0.266 425 L C -1.322 175.602 176.870 0.090 0.000 1.011 425 L CA 0.017 54.878 54.840 0.035 0.000 0.818 425 L CB 1.938 44.041 42.059 0.074 0.000 1.326 425 L HN 1.074 nan 8.230 nan 0.000 0.435 426 D N 0.389 120.869 120.400 0.134 0.000 2.837 426 D HA 0.323 4.963 4.640 -0.000 0.000 0.220 426 D C -1.887 174.503 176.300 0.149 0.000 1.236 426 D CA -0.337 53.739 54.000 0.126 0.000 0.838 426 D CB 1.346 42.172 40.800 0.042 0.000 1.647 426 D HN 0.291 nan 8.370 nan 0.000 0.486 427 F N 3.418 123.339 119.950 -0.048 0.000 2.404 427 F HA 0.428 4.955 4.527 -0.000 0.000 0.354 427 F C -0.261 175.442 175.800 -0.161 0.000 1.122 427 F CA -0.800 57.044 58.000 -0.259 0.000 1.080 427 F CB 0.902 39.644 39.000 -0.430 0.000 1.131 427 F HN 0.227 nan 8.300 nan 0.000 0.471 428 N N 5.455 123.763 118.700 -0.654 0.000 2.439 428 N HA 0.041 4.781 4.740 -0.000 0.000 0.243 428 N C 0.719 175.906 175.510 -0.537 0.000 1.088 428 N CA 0.260 53.057 53.050 -0.422 0.000 0.940 428 N CB 0.538 38.823 38.487 -0.337 0.000 1.180 428 N HN 0.793 nan 8.380 nan 0.000 0.505 429 E N 1.326 121.467 120.200 -0.100 0.000 2.110 429 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 429 E C 1.020 177.622 176.600 0.003 0.000 0.988 429 E CA 1.428 57.898 56.400 0.117 0.000 0.804 429 E CB 0.191 29.988 29.700 0.161 0.000 0.745 429 E HN 0.600 nan 8.360 nan 0.000 0.458 430 T N 1.254 115.777 114.554 -0.051 0.000 2.746 430 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 430 T C 1.620 176.276 174.700 -0.072 0.000 1.039 430 T CA 1.201 63.274 62.100 -0.045 0.000 1.142 430 T CB -0.061 68.781 68.868 -0.044 0.000 0.866 430 T HN 0.085 nan 8.240 nan 0.000 0.444 431 K N 0.175 120.489 120.400 -0.142 0.000 2.393 431 K HA 0.293 4.613 4.320 -0.000 0.000 0.193 431 K C 1.450 177.936 176.600 -0.189 0.000 1.026 431 K CA 0.351 56.550 56.287 -0.147 0.000 1.064 431 K CB 0.361 32.769 32.500 -0.154 0.000 0.833 431 K HN 0.372 nan 8.250 nan 0.000 0.521 432 G N 1.926 110.556 108.800 -0.283 0.000 2.179 432 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 432 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 432 G C 0.126 174.782 174.900 -0.407 0.000 1.010 432 G CA 0.627 45.601 45.100 -0.209 0.000 0.736 432 G HN 0.275 nan 8.290 nan 0.000 0.513 433 V N -4.242 115.219 119.914 -0.755 0.000 3.102 433 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 433 V C -0.185 175.521 176.094 -0.645 0.000 1.135 433 V CA -2.482 59.541 62.300 -0.460 0.000 1.022 433 V CB 1.515 33.252 31.823 -0.144 0.000 1.056 433 V HN 0.270 nan 8.190 nan 0.000 0.436 434 Y N 0.778 121.008 120.300 -0.117 0.000 2.308 434 Y HA 0.682 5.232 4.550 -0.000 0.000 0.329 434 Y C 0.660 176.572 175.900 0.021 0.000 1.111 434 Y CA -0.005 58.100 58.100 0.008 0.000 1.179 434 Y CB 1.259 39.820 38.460 0.168 0.000 1.201 434 Y HN 0.729 nan 8.280 nan 0.000 0.483 435 E N 2.008 122.283 120.200 0.124 0.000 2.369 435 E HA 0.343 4.693 4.350 -0.000 0.000 0.270 435 E C -1.196 175.357 176.600 -0.079 0.000 0.909 435 E CA -1.450 54.981 56.400 0.051 0.000 0.775 435 E CB 2.240 31.933 29.700 -0.012 0.000 1.270 435 E HN 0.502 nan 8.360 nan 0.000 0.445 436 K N -0.354 119.878 120.400 -0.279 0.000 2.120 436 K HA 0.513 4.833 4.320 -0.000 0.000 0.245 436 K C -0.611 175.878 176.600 -0.186 0.000 1.024 436 K CA -0.605 55.435 56.287 -0.412 0.000 0.906 436 K CB 0.760 32.823 32.500 -0.728 0.000 1.051 436 K HN 0.180 nan 8.250 nan 0.000 0.491 437 V N 1.154 120.974 119.914 -0.156 0.000 2.498 437 V HA 0.498 4.618 4.120 -0.000 0.000 0.283 437 V C 0.190 176.239 176.094 -0.075 0.000 1.015 437 V CA 0.147 62.397 62.300 -0.082 0.000 0.867 437 V CB 0.224 32.019 31.823 -0.047 0.000 1.025 437 V HN 1.231 nan 8.190 nan 0.000 0.441 438 G N 4.483 113.246 108.800 -0.061 0.000 2.418 438 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.206 438 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.206 438 G C -0.513 174.357 174.900 -0.050 0.000 1.202 438 G CA -0.541 44.533 45.100 -0.042 0.000 1.061 438 G HN 0.590 nan 8.290 nan 0.000 0.563 439 E N 0.806 120.985 120.200 -0.036 0.000 2.354 439 E HA 0.448 4.798 4.350 -0.000 0.000 0.269 439 E C 1.503 178.085 176.600 -0.030 0.000 1.036 439 E CA 0.137 56.522 56.400 -0.025 0.000 0.876 439 E CB 1.445 31.137 29.700 -0.014 0.000 1.009 439 E HN 0.879 nan 8.360 nan 0.000 0.416 440 A N 2.787 125.612 122.820 0.007 0.000 1.877 440 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 440 A C 2.148 179.793 177.584 0.101 0.000 1.186 440 A CA 2.230 54.314 52.037 0.078 0.000 0.620 440 A CB -0.920 18.178 19.000 0.165 0.000 0.822 440 A HN 0.745 nan 8.150 nan 0.000 0.443 441 T N -2.446 112.145 114.554 0.062 0.000 3.051 441 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 441 T C 1.361 176.085 174.700 0.040 0.000 1.127 441 T CA 1.473 63.606 62.100 0.055 0.000 1.107 441 T CB -0.159 68.731 68.868 0.036 0.000 0.898 441 T HN 0.640 nan 8.240 nan 0.000 0.517 442 E N 0.483 120.696 120.200 0.022 0.000 2.251 442 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 442 E C 2.038 178.636 176.600 -0.004 0.000 0.964 442 E CA 0.682 57.086 56.400 0.007 0.000 0.868 442 E CB 0.129 29.829 29.700 -0.001 0.000 0.828 442 E HN 0.461 nan 8.360 nan 0.000 0.481 443 T N 1.041 115.579 114.554 -0.026 0.000 2.951 443 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 443 T C 1.927 176.660 174.700 0.054 0.000 1.073 443 T CA 0.898 62.956 62.100 -0.069 0.000 1.134 443 T CB -0.011 68.666 68.868 -0.319 0.000 0.884 443 T HN 0.157 nan 8.240 nan 0.000 0.479 444 A N 1.180 124.080 122.820 0.133 0.000 1.972 444 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 444 A C 2.109 179.724 177.584 0.050 0.000 1.169 444 A CA 1.047 53.169 52.037 0.142 0.000 0.635 444 A CB -0.606 18.460 19.000 0.110 0.000 0.810 444 A HN 0.344 nan 8.150 nan 0.000 0.446 445 L N -0.368 120.869 121.223 0.023 0.000 2.109 445 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 445 L C 2.682 179.540 176.870 -0.020 0.000 1.086 445 L CA 2.327 57.161 54.840 -0.011 0.000 0.760 445 L CB -1.096 40.954 42.059 -0.015 0.000 0.910 445 L HN 0.376 nan 8.230 nan 0.000 0.437 446 T N -1.640 112.907 114.554 -0.011 0.000 2.708 446 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 446 T C 1.810 176.500 174.700 -0.016 0.000 1.037 446 T CA 1.900 63.989 62.100 -0.018 0.000 1.146 446 T CB -0.385 68.471 68.868 -0.021 0.000 0.865 446 T HN 0.308 nan 8.240 nan 0.000 0.435 447 T N 2.443 117.001 114.554 0.007 0.000 2.720 447 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 447 T C 1.918 176.600 174.700 -0.030 0.000 1.037 447 T CA 0.969 63.069 62.100 -0.000 0.000 1.144 447 T CB -0.508 68.397 68.868 0.063 0.000 0.864 447 T HN 0.143 nan 8.240 nan 0.000 0.444 448 L N 1.351 122.556 121.223 -0.030 0.000 2.042 448 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 448 L C 2.377 179.203 176.870 -0.073 0.000 1.076 448 L CA 1.551 56.358 54.840 -0.056 0.000 0.749 448 L CB -0.706 41.316 42.059 -0.062 0.000 0.893 448 L HN 0.078 nan 8.230 nan 0.000 0.432 449 V N -0.209 119.663 119.914 -0.069 0.000 2.490 449 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 449 V C 2.615 178.671 176.094 -0.064 0.000 1.061 449 V CA 1.638 63.891 62.300 -0.077 0.000 1.064 449 V CB -0.704 31.078 31.823 -0.068 0.000 0.670 449 V HN 0.471 nan 8.190 nan 0.000 0.461 450 E N 0.262 120.429 120.200 -0.054 0.000 2.107 450 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 450 E C 2.235 178.802 176.600 -0.056 0.000 0.982 450 E CA 0.953 57.323 56.400 -0.050 0.000 0.809 450 E CB -0.138 29.526 29.700 -0.061 0.000 0.756 450 E HN 0.597 nan 8.360 nan 0.000 0.459 451 K N 0.125 120.486 120.400 -0.064 0.000 2.057 451 K HA 0.024 4.343 4.320 -0.000 0.000 0.206 451 K C 2.281 178.843 176.600 -0.063 0.000 1.050 451 K CA 1.047 57.298 56.287 -0.060 0.000 0.935 451 K CB -0.100 32.363 32.500 -0.061 0.000 0.715 451 K HN 0.053 nan 8.250 nan 0.000 0.439 452 M N 0.643 120.192 119.600 -0.084 0.000 2.159 452 M HA -0.116 4.363 4.480 -0.000 0.000 0.263 452 M C 0.562 176.805 176.300 -0.095 0.000 1.063 452 M CA 0.626 55.861 55.300 -0.108 0.000 1.110 452 M CB -0.377 32.131 32.600 -0.153 0.000 1.374 452 M HN 0.138 nan 8.290 nan 0.000 0.411 453 N N 1.083 119.736 118.700 -0.078 0.000 2.702 453 N HA -0.137 4.603 4.740 -0.000 0.000 0.255 453 N C 0.552 176.008 175.510 -0.089 0.000 0.983 453 N CA 0.684 53.704 53.050 -0.050 0.000 0.768 453 N CB -0.710 37.765 38.487 -0.021 0.000 0.918 453 N HN 0.403 nan 8.380 nan 0.000 0.540 454 V N -3.223 116.569 119.914 -0.202 0.000 2.944 454 V HA -0.137 3.983 4.120 -0.000 0.000 0.265 454 V C 1.394 177.215 176.094 -0.456 0.000 1.125 454 V CA 1.599 63.682 62.300 -0.362 0.000 1.145 454 V CB -0.851 30.639 31.823 -0.555 0.000 0.725 454 V HN 0.252 nan 8.190 nan 0.000 0.510 455 F N 1.079 121.012 119.950 -0.028 0.000 2.654 455 F HA 0.487 5.014 4.527 -0.000 0.000 0.303 455 F C 1.018 176.808 175.800 -0.017 0.000 1.099 455 F CA -1.161 56.825 58.000 -0.023 0.000 1.270 455 F CB -0.558 38.426 39.000 -0.026 0.000 1.024 455 F HN 0.225 nan 8.300 nan 0.000 0.548 456 N N 0.816 119.576 118.700 0.101 0.000 2.725 456 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 456 N C -0.211 175.341 175.510 0.071 0.000 1.031 456 N CA 0.945 54.034 53.050 0.065 0.000 0.720 456 N CB -1.725 36.795 38.487 0.055 0.000 0.930 456 N HN 0.139 nan 8.380 nan 0.000 0.543 457 T N 0.685 115.286 114.554 0.078 0.000 2.919 457 T HA 0.082 4.432 4.350 -0.000 0.000 0.302 457 T C 0.809 175.529 174.700 0.032 0.000 1.031 457 T CA -0.147 61.988 62.100 0.057 0.000 1.127 457 T CB 1.492 70.397 68.868 0.061 0.000 0.952 457 T HN 0.091 nan 8.240 nan 0.000 0.540 458 E N 2.296 122.509 120.200 0.022 0.000 2.104 458 E HA 0.212 4.561 4.350 -0.000 0.000 0.278 458 E C 0.692 177.299 176.600 0.010 0.000 1.127 458 E CA -0.309 56.099 56.400 0.014 0.000 0.897 458 E CB 0.064 29.770 29.700 0.010 0.000 1.043 458 E HN 0.471 nan 8.360 nan 0.000 0.410 459 V N 2.561 122.481 119.914 0.009 0.000 3.635 459 V HA 0.133 4.253 4.120 -0.000 0.000 0.266 459 V C 1.887 177.983 176.094 0.003 0.000 1.316 459 V CA 0.660 62.964 62.300 0.006 0.000 1.060 459 V CB -0.202 31.625 31.823 0.006 0.000 0.820 459 V HN 0.601 nan 8.190 nan 0.000 0.447 460 R N 1.370 121.871 120.500 0.003 0.000 2.159 460 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 460 R C 1.399 177.697 176.300 -0.003 0.000 1.131 460 R CA 2.198 58.299 56.100 0.001 0.000 0.982 460 R CB -0.681 29.620 30.300 0.002 0.000 0.868 460 R HN 0.534 nan 8.270 nan 0.000 0.453 461 N N 0.471 119.168 118.700 -0.004 0.000 2.280 461 N HA 0.131 4.871 4.740 -0.000 0.000 0.192 461 N C -0.048 175.454 175.510 -0.014 0.000 1.109 461 N CA 0.073 53.118 53.050 -0.009 0.000 0.855 461 N CB 0.411 38.894 38.487 -0.006 0.000 0.974 461 N HN 0.186 nan 8.380 nan 0.000 0.482 462 L N 1.402 122.618 121.223 -0.012 0.000 2.436 462 L HA 0.116 4.455 4.340 -0.000 0.000 0.265 462 L C 1.116 177.965 176.870 -0.035 0.000 1.168 462 L CA -0.408 54.422 54.840 -0.016 0.000 0.815 462 L CB 0.556 42.613 42.059 -0.004 0.000 1.109 462 L HN 0.049 nan 8.230 nan 0.000 0.462 463 S N 1.092 116.762 115.700 -0.051 0.000 2.584 463 S HA 0.102 4.572 4.470 -0.000 0.000 0.270 463 S C 0.793 175.311 174.600 -0.137 0.000 1.346 463 S CA -0.594 57.545 58.200 -0.102 0.000 1.018 463 S CB 0.898 64.039 63.200 -0.099 0.000 0.899 463 S HN 0.599 nan 8.310 nan 0.000 0.542 464 K N 0.658 120.879 120.400 -0.298 0.000 2.152 464 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 464 K C 1.903 178.333 176.600 -0.283 0.000 1.048 464 K CA 1.195 57.240 56.287 -0.404 0.000 0.933 464 K CB -0.569 31.235 32.500 -1.161 0.000 0.721 464 K HN 0.471 nan 8.250 nan 0.000 0.447 465 V N 1.369 121.128 119.914 -0.258 0.000 2.343 465 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 465 V C 2.093 178.211 176.094 0.040 0.000 1.051 465 V CA 1.795 64.077 62.300 -0.030 0.000 1.036 465 V CB -0.275 31.543 31.823 -0.007 0.000 0.654 465 V HN 0.365 nan 8.190 nan 0.000 0.451 466 E N -0.525 119.680 120.200 0.008 0.000 2.435 466 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 466 E C 2.197 178.827 176.600 0.050 0.000 1.029 466 E CA 0.075 56.492 56.400 0.028 0.000 0.865 466 E CB 0.165 29.868 29.700 0.006 0.000 0.833 466 E HN 0.334 nan 8.360 nan 0.000 0.510 467 R N 0.393 120.938 120.500 0.075 0.000 2.153 467 R HA 0.076 4.416 4.340 -0.000 0.000 0.218 467 R C 1.831 178.200 176.300 0.114 0.000 1.072 467 R CA 1.269 57.421 56.100 0.087 0.000 0.990 467 R CB -0.466 29.895 30.300 0.102 0.000 0.889 467 R HN 0.123 nan 8.270 nan 0.000 0.452 468 A N 0.613 123.570 122.820 0.228 0.000 1.917 468 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 468 A C 1.219 178.860 177.584 0.094 0.000 1.182 468 A CA 1.911 54.084 52.037 0.227 0.000 0.633 468 A CB -0.298 18.905 19.000 0.340 0.000 0.819 468 A HN 0.500 nan 8.150 nan 0.000 0.448 469 N N -1.653 117.091 118.700 0.074 0.000 2.299 469 N HA 0.335 5.075 4.740 -0.000 0.000 0.246 469 N C 1.174 176.701 175.510 0.029 0.000 1.254 469 N CA 0.663 53.737 53.050 0.041 0.000 0.879 469 N CB 0.628 39.139 38.487 0.039 0.000 1.214 469 N HN 0.396 nan 8.380 nan 0.000 0.510 470 A N 0.621 123.459 122.820 0.029 0.000 1.859 470 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 470 A C 2.324 179.922 177.584 0.024 0.000 1.198 470 A CA 1.473 53.524 52.037 0.023 0.000 0.629 470 A CB -0.892 18.121 19.000 0.022 0.000 0.830 470 A HN 0.435 nan 8.150 nan 0.000 0.446 471 C N -0.264 119.050 119.300 0.023 0.000 2.435 471 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 471 C C 2.652 177.664 174.990 0.037 0.000 1.321 471 C CA 0.820 59.860 59.018 0.037 0.000 1.752 471 C CB -1.585 26.166 27.740 0.017 0.000 1.959 471 C HN 0.611 nan 8.230 nan 0.000 0.500 472 N N 1.162 119.872 118.700 0.017 0.000 2.106 472 N HA -0.092 4.647 4.740 -0.000 0.000 0.188 472 N C 1.888 177.407 175.510 0.015 0.000 1.029 472 N CA 1.397 54.453 53.050 0.009 0.000 0.848 472 N CB -0.337 38.151 38.487 0.000 0.000 1.007 472 N HN 0.438 nan 8.380 nan 0.000 0.423 473 S N 0.855 116.564 115.700 0.015 0.000 2.383 473 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 473 S C 2.310 176.913 174.600 0.005 0.000 1.030 473 S CA 0.682 58.887 58.200 0.010 0.000 1.002 473 S CB -0.279 62.927 63.200 0.009 0.000 0.829 473 S HN 0.091 nan 8.310 nan 0.000 0.467 474 V N 2.032 121.955 119.914 0.015 0.000 2.287 474 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 474 V C 2.070 178.159 176.094 -0.010 0.000 1.053 474 V CA 1.670 63.968 62.300 -0.003 0.000 1.027 474 V CB -0.621 31.226 31.823 0.040 0.000 0.646 474 V HN 0.455 nan 8.190 nan 0.000 0.447 475 I N -0.661 119.943 120.570 0.056 0.000 2.286 475 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 475 I C 2.665 178.788 176.117 0.010 0.000 1.115 475 I CA 1.410 62.749 61.300 0.065 0.000 1.392 475 I CB -0.347 37.696 38.000 0.071 0.000 1.065 475 I HN 0.181 nan 8.210 nan 0.000 0.418 476 R N 0.242 120.744 120.500 0.004 0.000 2.285 476 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 476 R C 2.023 178.320 176.300 -0.006 0.000 1.068 476 R CA 0.712 56.813 56.100 0.002 0.000 1.004 476 R CB 0.025 30.328 30.300 0.004 0.000 0.873 476 R HN 0.410 nan 8.270 nan 0.000 0.467 477 Q N -0.088 119.699 119.800 -0.022 0.000 2.331 477 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 477 Q C 1.991 177.964 176.000 -0.046 0.000 0.944 477 Q CA 0.767 56.549 55.803 -0.036 0.000 0.892 477 Q CB 0.272 28.977 28.738 -0.055 0.000 0.983 477 Q HN 0.390 nan 8.270 nan 0.000 0.482 478 L N -0.705 120.487 121.223 -0.051 0.000 2.131 478 L HA 0.049 4.389 4.340 -0.000 0.000 0.206 478 L C 0.735 177.602 176.870 -0.005 0.000 1.087 478 L CA 0.673 55.484 54.840 -0.049 0.000 0.767 478 L CB 0.100 42.123 42.059 -0.060 0.000 0.917 478 L HN 0.139 nan 8.230 nan 0.000 0.441 479 M N -0.098 119.513 119.600 0.020 0.000 2.395 479 M HA 0.296 4.776 4.480 -0.000 0.000 0.307 479 M C -0.704 175.616 176.300 0.033 0.000 1.091 479 M CA -0.333 54.995 55.300 0.046 0.000 0.919 479 M CB 2.141 34.820 32.600 0.132 0.000 1.662 479 M HN -0.131 nan 8.290 nan 0.000 0.440 480 K N 2.564 122.975 120.400 0.019 0.000 2.211 480 K HA 0.252 4.572 4.320 -0.000 0.000 0.275 480 K C -0.382 176.225 176.600 0.012 0.000 1.024 480 K CA -0.334 55.963 56.287 0.017 0.000 0.887 480 K CB 1.148 33.657 32.500 0.016 0.000 1.084 480 K HN 0.620 nan 8.250 nan 0.000 0.463 481 K N 5.245 125.655 120.400 0.017 0.000 2.220 481 K HA 0.008 4.328 4.320 -0.000 0.000 0.283 481 K C 0.489 177.090 176.600 0.002 0.000 1.098 481 K CA -0.196 56.091 56.287 -0.001 0.000 0.928 481 K CB 0.601 33.111 32.500 0.018 0.000 1.214 481 K HN 0.600 nan 8.250 nan 0.000 0.442 482 E N 3.127 123.314 120.200 -0.022 0.000 2.017 482 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 482 E C 0.414 177.083 176.600 0.115 0.000 0.997 482 E CA 1.403 57.833 56.400 0.049 0.000 0.804 482 E CB -0.179 29.566 29.700 0.075 0.000 0.757 482 E HN 0.585 nan 8.360 nan 0.000 0.448 483 F N -2.149 117.829 119.950 0.046 0.000 2.741 483 F HA 0.466 4.993 4.527 -0.000 0.000 0.311 483 F C -0.703 175.102 175.800 0.008 0.000 1.149 483 F CA -1.242 56.759 58.000 0.001 0.000 0.930 483 F CB 1.531 40.493 39.000 -0.064 0.000 1.312 483 F HN -0.242 nan 8.300 nan 0.000 0.450 484 T N 1.150 115.833 114.554 0.216 0.000 2.829 484 T HA 0.626 4.975 4.350 -0.000 0.000 0.280 484 T C -0.997 173.777 174.700 0.123 0.000 0.999 484 T CA -0.714 61.451 62.100 0.109 0.000 0.983 484 T CB 1.190 70.107 68.868 0.081 0.000 0.968 484 T HN 0.827 nan 8.240 nan 0.000 0.446 485 L N 5.497 126.713 121.223 -0.011 0.000 2.356 485 L HA 0.280 4.620 4.340 -0.000 0.000 0.282 485 L C 1.275 178.145 176.870 0.001 0.000 1.132 485 L CA -0.874 53.800 54.840 -0.276 0.000 0.923 485 L CB 0.034 41.756 42.059 -0.561 0.000 1.278 485 L HN 0.767 nan 8.230 nan 0.000 0.436 486 E N 2.559 122.855 120.200 0.159 0.000 2.537 486 E HA -0.200 4.150 4.350 -0.000 0.000 0.269 486 E C -0.177 176.624 176.600 0.334 0.000 1.038 486 E CA -0.236 56.318 56.400 0.257 0.000 0.977 486 E CB 0.581 30.445 29.700 0.272 0.000 0.973 486 E HN 0.275 nan 8.360 nan 0.000 0.456 487 F N 1.725 121.771 119.950 0.159 0.000 2.628 487 F HA 0.057 4.584 4.527 -0.000 0.000 0.362 487 F C 0.308 176.206 175.800 0.164 0.000 1.148 487 F CA 0.634 58.723 58.000 0.149 0.000 1.352 487 F CB 0.689 39.753 39.000 0.106 0.000 1.081 487 F HN 0.423 nan 8.300 nan 0.000 0.605 488 S N 5.697 121.130 115.700 -0.445 0.000 2.538 488 S HA 0.437 4.907 4.470 -0.000 0.000 0.288 488 S C 0.673 175.019 174.600 -0.423 0.000 1.108 488 S CA -0.901 57.185 58.200 -0.191 0.000 0.971 488 S CB 1.568 64.714 63.200 -0.090 0.000 1.041 488 S HN 0.833 nan 8.310 nan 0.000 0.483 489 R N 1.802 122.333 120.500 0.052 0.000 2.127 489 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 489 R C 0.768 177.071 176.300 0.004 0.000 1.134 489 R CA 2.095 58.287 56.100 0.154 0.000 0.975 489 R CB -0.403 30.014 30.300 0.195 0.000 0.865 489 R HN 0.869 nan 8.270 nan 0.000 0.447 490 D N -1.135 119.234 120.400 -0.053 0.000 2.328 490 D HA -0.014 4.626 4.640 -0.000 0.000 0.221 490 D C 1.559 177.808 176.300 -0.084 0.000 1.072 490 D CA 0.112 54.080 54.000 -0.053 0.000 0.850 490 D CB 0.284 41.054 40.800 -0.050 0.000 0.922 490 D HN 0.002 nan 8.370 nan 0.000 0.516 491 R N 0.329 120.729 120.500 -0.167 0.000 2.350 491 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 491 R C 0.223 176.402 176.300 -0.203 0.000 0.876 491 R CA 0.020 56.020 56.100 -0.168 0.000 1.062 491 R CB 0.393 30.584 30.300 -0.180 0.000 1.263 491 R HN -0.114 nan 8.270 nan 0.000 0.641 492 K N 0.523 120.680 120.400 -0.404 0.000 3.274 492 K HA -0.170 4.150 4.320 -0.000 0.000 0.300 492 K C -0.633 175.891 176.600 -0.126 0.000 1.230 492 K CA 1.012 57.171 56.287 -0.214 0.000 0.884 492 K CB -1.452 31.072 32.500 0.041 0.000 1.242 492 K HN 0.399 nan 8.250 nan 0.000 0.467 493 S N -0.612 114.905 115.700 -0.305 0.000 2.651 493 S HA 0.814 5.284 4.470 -0.000 0.000 0.279 493 S C -0.679 173.899 174.600 -0.038 0.000 1.148 493 S CA -1.033 57.136 58.200 -0.052 0.000 0.837 493 S CB 2.975 66.176 63.200 0.001 0.000 1.138 493 S HN 0.272 nan 8.310 nan 0.000 0.478 494 M N 1.795 121.451 119.600 0.094 0.000 2.531 494 M HA 0.667 5.147 4.480 -0.000 0.000 0.286 494 M C -1.678 174.675 176.300 0.089 0.000 1.232 494 M CA -0.297 55.078 55.300 0.125 0.000 0.877 494 M CB 2.066 34.792 32.600 0.209 0.000 1.726 494 M HN 1.204 nan 8.290 nan 0.000 0.463 495 S N 1.957 117.695 115.700 0.064 0.000 2.638 495 S HA 0.877 5.347 4.470 -0.000 0.000 0.274 495 S C -1.073 173.532 174.600 0.008 0.000 1.157 495 S CA -0.594 57.629 58.200 0.038 0.000 0.826 495 S CB 1.724 64.934 63.200 0.017 0.000 1.139 495 S HN 1.115 nan 8.310 nan 0.000 0.474 496 V N -0.946 118.958 119.914 -0.018 0.000 2.789 496 V HA 0.706 4.826 4.120 -0.000 0.000 0.311 496 V C -1.435 174.523 176.094 -0.227 0.000 1.073 496 V CA -0.927 61.328 62.300 -0.074 0.000 0.921 496 V CB 1.183 33.020 31.823 0.022 0.000 1.009 496 V HN 0.993 nan 8.190 nan 0.000 0.426 497 Y N 3.094 123.049 120.300 -0.575 0.000 2.341 497 Y HA 0.724 5.274 4.550 -0.000 0.000 0.340 497 Y C -0.063 175.523 175.900 -0.522 0.000 0.997 497 Y CA -0.226 57.432 58.100 -0.736 0.000 1.149 497 Y CB 1.081 38.635 38.460 -1.511 0.000 1.171 497 Y HN 0.995 nan 8.280 nan 0.000 0.494 498 C N 3.875 122.826 119.300 -0.583 0.000 2.626 498 C HA 0.728 5.188 4.460 -0.000 0.000 0.310 498 C C -0.605 174.198 174.990 -0.311 0.000 1.191 498 C CA -0.986 57.856 59.018 -0.294 0.000 1.517 498 C CB 0.998 28.666 27.740 -0.119 0.000 2.102 498 C HN 0.890 nan 8.230 nan 0.000 0.479 499 S N 1.468 117.096 115.700 -0.120 0.000 2.568 499 S HA 0.762 5.232 4.470 -0.000 0.000 0.302 499 S C -3.223 171.352 174.600 -0.041 0.000 1.082 499 S CA -1.429 56.722 58.200 -0.082 0.000 1.009 499 S CB 1.253 64.452 63.200 -0.001 0.000 1.069 499 S HN 0.498 nan 8.310 nan 0.000 0.500 500 P HA 0.260 nan 4.420 nan 0.000 0.266 500 P C -0.616 176.679 177.300 -0.009 0.000 1.195 500 P CA -0.013 63.078 63.100 -0.016 0.000 0.768 500 P CB 0.196 31.884 31.700 -0.018 0.000 0.838 501 A N 3.417 126.232 122.820 -0.009 0.000 2.425 501 A HA 0.211 4.531 4.320 -0.000 0.000 0.249 501 A C 0.320 177.897 177.584 -0.012 0.000 1.084 501 A CA -0.137 51.894 52.037 -0.010 0.000 0.781 501 A CB -0.539 18.451 19.000 -0.017 0.000 1.019 501 A HN 0.664 nan 8.150 nan 0.000 0.490 502 K N -0.218 120.177 120.400 -0.008 0.000 3.181 502 K HA -0.130 4.190 4.320 -0.000 0.000 0.269 502 K C -0.109 176.488 176.600 -0.006 0.000 1.097 502 K CA 0.903 57.185 56.287 -0.008 0.000 0.783 502 K CB -2.203 30.289 32.500 -0.014 0.000 1.267 502 K HN 1.287 nan 8.250 nan 0.000 0.484 503 S N -2.044 113.654 115.700 -0.002 0.000 2.588 503 S HA 0.633 5.103 4.470 -0.000 0.000 0.275 503 S C -0.130 174.473 174.600 0.005 0.000 1.130 503 S CA -0.941 57.258 58.200 -0.001 0.000 0.855 503 S CB 2.301 65.499 63.200 -0.004 0.000 1.116 503 S HN 0.067 nan 8.310 nan 0.000 0.472 504 S N 0.741 116.445 115.700 0.006 0.000 2.603 504 S HA 0.285 4.755 4.470 -0.000 0.000 0.268 504 S C 1.494 176.104 174.600 0.016 0.000 1.317 504 S CA -0.868 57.338 58.200 0.010 0.000 1.012 504 S CB 0.496 63.700 63.200 0.008 0.000 0.926 504 S HN 0.701 nan 8.310 nan 0.000 0.539 505 R N 1.258 121.771 120.500 0.021 0.000 2.200 505 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 505 R C 1.761 178.079 176.300 0.031 0.000 1.127 505 R CA 1.302 57.420 56.100 0.030 0.000 0.989 505 R CB -0.442 29.873 30.300 0.026 0.000 0.869 505 R HN 0.624 nan 8.270 nan 0.000 0.459 506 A N 1.401 124.234 122.820 0.021 0.000 2.147 506 A HA 0.325 4.645 4.320 -0.000 0.000 0.211 506 A C 1.167 178.760 177.584 0.016 0.000 1.160 506 A CA 0.260 52.309 52.037 0.019 0.000 0.781 506 A CB 0.068 19.076 19.000 0.013 0.000 0.842 506 A HN 0.304 nan 8.150 nan 0.000 0.475 507 A N -0.139 122.689 122.820 0.013 0.000 2.577 507 A HA 0.396 4.716 4.320 -0.000 0.000 0.233 507 A C 0.383 177.968 177.584 0.003 0.000 1.076 507 A CA 0.269 52.309 52.037 0.005 0.000 0.767 507 A CB -0.106 18.895 19.000 0.002 0.000 1.017 507 A HN 0.508 nan 8.150 nan 0.000 0.511 508 V N 0.587 120.498 119.914 -0.005 0.000 2.716 508 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 508 V C 1.248 177.325 176.094 -0.028 0.000 1.053 508 V CA 0.719 63.011 62.300 -0.013 0.000 0.984 508 V CB 1.035 32.851 31.823 -0.012 0.000 1.021 508 V HN 2.015 nan 8.190 nan 0.000 0.467 509 G N 2.634 111.406 108.800 -0.047 0.000 2.148 509 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.157 509 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.157 509 G C -0.085 174.744 174.900 -0.117 0.000 1.012 509 G CA -0.199 44.860 45.100 -0.067 0.000 0.677 509 G HN 0.669 nan 8.290 nan 0.000 0.506 510 N N 0.473 119.080 118.700 -0.155 0.000 2.444 510 N HA 0.529 5.269 4.740 -0.000 0.000 0.255 510 N C -0.209 175.046 175.510 -0.425 0.000 1.255 510 N CA 0.110 52.977 53.050 -0.304 0.000 0.933 510 N CB 0.521 38.814 38.487 -0.323 0.000 1.143 510 N HN 0.009 nan 8.380 nan 0.000 0.453 511 K N 1.287 121.291 120.400 -0.660 0.000 2.536 511 K HA 0.433 4.753 4.320 -0.000 0.000 0.269 511 K C -1.120 174.869 176.600 -1.019 0.000 0.965 511 K CA -0.465 55.368 56.287 -0.757 0.000 0.860 511 K CB 2.165 34.166 32.500 -0.832 0.000 1.423 511 K HN 0.484 nan 8.250 nan 0.000 0.438 512 M N 1.703 120.808 119.600 -0.825 0.000 2.311 512 M HA 0.442 4.922 4.480 -0.000 0.000 0.325 512 M C -1.231 174.722 176.300 -0.577 0.000 1.061 512 M CA -0.734 54.185 55.300 -0.634 0.000 0.957 512 M CB 1.053 33.473 32.600 -0.301 0.000 1.646 512 M HN 0.323 nan 8.290 nan 0.000 0.434 513 F N 2.860 122.737 119.950 -0.121 0.000 2.388 513 F HA 0.542 5.069 4.527 -0.000 0.000 0.358 513 F C -0.166 175.602 175.800 -0.055 0.000 1.122 513 F CA -0.992 56.956 58.000 -0.086 0.000 1.056 513 F CB 1.017 39.964 39.000 -0.088 0.000 1.155 513 F HN 0.127 nan 8.300 nan 0.000 0.461 514 V N 3.450 123.446 119.914 0.136 0.000 2.547 514 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 514 V C -0.298 175.834 176.094 0.063 0.000 1.040 514 V CA -1.117 61.233 62.300 0.083 0.000 0.913 514 V CB 1.829 33.691 31.823 0.064 0.000 0.992 514 V HN 0.688 nan 8.190 nan 0.000 0.449 515 K N 1.978 122.418 120.400 0.067 0.000 2.468 515 K HA 0.784 5.104 4.320 -0.000 0.000 0.252 515 K C -0.351 176.303 176.600 0.089 0.000 0.932 515 K CA -0.033 56.289 56.287 0.059 0.000 0.794 515 K CB 2.268 34.804 32.500 0.059 0.000 1.241 515 K HN 1.033 nan 8.250 nan 0.000 0.428 516 G N 1.071 109.924 108.800 0.090 0.000 2.325 516 G HA2 0.452 4.412 3.960 -0.000 0.000 0.295 516 G HA3 0.452 4.412 3.960 -0.000 0.000 0.295 516 G C -1.626 173.343 174.900 0.115 0.000 1.274 516 G CA -0.425 44.746 45.100 0.119 0.000 0.857 516 G HN 0.670 nan 8.290 nan 0.000 0.499 517 A N 0.476 123.370 122.820 0.124 0.000 2.488 517 A HA 0.599 4.919 4.320 -0.000 0.000 0.249 517 A C -0.815 176.829 177.584 0.100 0.000 1.083 517 A CA -0.203 51.902 52.037 0.114 0.000 0.768 517 A CB 0.214 19.281 19.000 0.113 0.000 1.017 517 A HN 0.325 nan 8.150 nan 0.000 0.496 518 P HA -0.229 nan 4.420 nan 0.000 0.216 518 P C 1.419 178.775 177.300 0.092 0.000 1.154 518 P CA 1.728 64.897 63.100 0.116 0.000 0.865 518 P CB 0.247 32.018 31.700 0.119 0.000 0.789 519 E N -0.657 119.585 120.200 0.070 0.000 2.021 519 E HA -0.186 4.163 4.350 -0.000 0.000 0.200 519 E C 2.236 178.863 176.600 0.045 0.000 1.015 519 E CA 1.755 58.184 56.400 0.048 0.000 0.824 519 E CB -1.059 28.665 29.700 0.041 0.000 0.762 519 E HN 0.143 nan 8.360 nan 0.000 0.454 520 G N 0.270 109.099 108.800 0.048 0.000 2.421 520 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 520 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 520 G C 1.671 176.601 174.900 0.051 0.000 1.171 520 G CA 1.120 46.242 45.100 0.038 0.000 0.775 520 G HN 0.256 nan 8.290 nan 0.000 0.543 521 V N 1.273 121.231 119.914 0.072 0.000 2.237 521 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 521 V C 2.796 178.962 176.094 0.120 0.000 1.046 521 V CA 1.736 64.094 62.300 0.096 0.000 1.007 521 V CB -0.514 31.377 31.823 0.114 0.000 0.638 521 V HN 0.386 nan 8.190 nan 0.000 0.445 522 I N 0.124 120.775 120.570 0.134 0.000 2.264 522 I HA -0.271 3.898 4.170 -0.000 0.000 0.248 522 I C 2.213 178.361 176.117 0.050 0.000 1.111 522 I CA 1.631 62.998 61.300 0.113 0.000 1.382 522 I CB -0.477 37.548 38.000 0.042 0.000 1.060 522 I HN 0.374 nan 8.210 nan 0.000 0.418 523 D N 0.624 121.046 120.400 0.036 0.000 2.264 523 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 523 D C 1.894 178.205 176.300 0.017 0.000 0.966 523 D CA 0.885 54.893 54.000 0.014 0.000 0.864 523 D CB -0.000 40.806 40.800 0.010 0.000 0.933 523 D HN 0.396 nan 8.370 nan 0.000 0.499 524 R N -0.394 120.130 120.500 0.039 0.000 2.359 524 R HA 0.155 4.495 4.340 -0.000 0.000 0.231 524 R C 0.172 176.503 176.300 0.052 0.000 0.913 524 R CA -0.173 55.952 56.100 0.040 0.000 1.075 524 R CB 0.437 30.767 30.300 0.051 0.000 1.087 524 R HN 0.029 nan 8.270 nan 0.000 0.515 525 C N 1.322 120.658 119.300 0.060 0.000 2.369 525 C HA 0.282 4.742 4.460 -0.000 0.000 0.358 525 C C 1.107 176.089 174.990 -0.014 0.000 1.274 525 C CA -0.747 58.319 59.018 0.079 0.000 1.935 525 C CB 0.779 28.615 27.740 0.159 0.000 2.431 525 C HN 0.458 nan 8.230 nan 0.000 0.545 526 N N 0.448 119.087 118.700 -0.101 0.000 2.197 526 N HA 0.172 4.912 4.740 -0.000 0.000 0.201 526 N C -0.817 174.360 175.510 -0.554 0.000 1.148 526 N CA 0.349 53.181 53.050 -0.362 0.000 0.883 526 N CB 0.426 38.594 38.487 -0.533 0.000 1.012 526 N HN 0.702 nan 8.380 nan 0.000 0.507 527 Y N -0.942 119.398 120.300 0.066 0.000 2.609 527 Y HA 0.614 5.164 4.550 -0.000 0.000 0.342 527 Y C -0.222 175.750 175.900 0.118 0.000 1.058 527 Y CA -1.023 57.121 58.100 0.073 0.000 1.055 527 Y CB 1.713 40.212 38.460 0.064 0.000 1.292 527 Y HN -0.426 nan 8.280 nan 0.000 0.476 528 V N 1.778 121.872 119.914 0.301 0.000 2.638 528 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 528 V C -0.636 175.595 176.094 0.229 0.000 1.052 528 V CA -1.030 61.441 62.300 0.284 0.000 0.885 528 V CB 1.979 33.923 31.823 0.202 0.000 0.999 528 V HN 0.692 nan 8.190 nan 0.000 0.424 529 R N 3.316 123.943 120.500 0.212 0.000 2.441 529 R HA 0.661 5.001 4.340 -0.000 0.000 0.284 529 R C -1.300 175.083 176.300 0.139 0.000 1.070 529 R CA -0.120 56.061 56.100 0.135 0.000 1.047 529 R CB 1.347 31.698 30.300 0.085 0.000 1.016 529 R HN 0.486 nan 8.270 nan 0.000 0.477 530 V N 5.841 125.821 119.914 0.109 0.000 2.385 530 V HA 0.410 4.530 4.120 -0.000 0.000 0.277 530 V C 0.901 177.053 176.094 0.095 0.000 1.012 530 V CA 0.267 62.633 62.300 0.111 0.000 0.832 530 V CB 0.546 32.428 31.823 0.099 0.000 1.028 530 V HN 1.150 nan 8.190 nan 0.000 0.436 531 G N 5.230 114.095 108.800 0.109 0.000 2.889 531 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.308 531 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.308 531 G C 0.948 175.886 174.900 0.064 0.000 1.248 531 G CA 1.354 46.511 45.100 0.094 0.000 0.982 531 G HN 1.371 nan 8.290 nan 0.000 0.571 532 T N -1.447 113.137 114.554 0.050 0.000 3.043 532 T HA 0.499 4.849 4.350 -0.000 0.000 0.272 532 T C 1.109 175.826 174.700 0.029 0.000 0.990 532 T CA 1.487 63.608 62.100 0.035 0.000 0.897 532 T CB 0.178 69.063 68.868 0.029 0.000 1.111 532 T HN 1.673 nan 8.240 nan 0.000 0.529 533 T N 0.062 114.638 114.554 0.037 0.000 2.852 533 T HA 0.628 4.978 4.350 -0.000 0.000 0.281 533 T C -0.309 174.413 174.700 0.036 0.000 0.993 533 T CA -0.927 61.191 62.100 0.030 0.000 0.933 533 T CB 1.743 70.633 68.868 0.038 0.000 1.187 533 T HN 0.362 nan 8.240 nan 0.000 0.559 534 R N 0.289 120.807 120.500 0.030 0.000 2.515 534 R HA 0.547 4.887 4.340 -0.000 0.000 0.278 534 R C -1.569 174.783 176.300 0.088 0.000 1.107 534 R CA -0.681 55.447 56.100 0.047 0.000 0.945 534 R CB 1.932 32.210 30.300 -0.036 0.000 1.219 534 R HN 0.832 nan 8.270 nan 0.000 0.434 535 V N 0.832 120.834 119.914 0.146 0.000 3.046 535 V HA 0.757 4.877 4.120 -0.000 0.000 0.316 535 V C -2.579 173.650 176.094 0.224 0.000 1.104 535 V CA -2.471 59.925 62.300 0.161 0.000 1.006 535 V CB 1.885 33.769 31.823 0.103 0.000 1.058 535 V HN 0.647 nan 8.190 nan 0.000 0.440 536 P HA 0.174 nan 4.420 nan 0.000 0.268 536 P C -0.491 176.821 177.300 0.020 0.000 1.205 536 P CA -0.162 62.987 63.100 0.082 0.000 0.771 536 P CB 0.654 32.373 31.700 0.031 0.000 0.858 537 M N 3.930 123.506 119.600 -0.041 0.000 2.219 537 M HA 0.216 4.696 4.480 -0.000 0.000 0.353 537 M C -0.142 176.121 176.300 -0.061 0.000 1.304 537 M CA 0.940 56.212 55.300 -0.047 0.000 1.115 537 M CB -0.171 32.389 32.600 -0.066 0.000 1.664 537 M HN 0.491 nan 8.290 nan 0.000 0.459 538 T N 1.513 116.032 114.554 -0.057 0.000 2.887 538 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 538 T C 0.926 175.588 174.700 -0.064 0.000 1.087 538 T CA -0.577 61.492 62.100 -0.053 0.000 1.009 538 T CB 1.180 70.027 68.868 -0.035 0.000 1.203 538 T HN 0.691 nan 8.240 nan 0.000 0.518 539 G N 0.879 109.646 108.800 -0.055 0.000 2.476 539 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 539 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 539 G C -1.002 173.856 174.900 -0.070 0.000 1.164 539 G CA 1.045 46.111 45.100 -0.058 0.000 0.768 539 G HN 0.636 nan 8.290 nan 0.000 0.560 540 P HA -0.048 nan 4.420 nan 0.000 0.214 540 P C 2.244 179.474 177.300 -0.117 0.000 1.163 540 P CA 1.179 64.232 63.100 -0.077 0.000 0.883 540 P CB -0.185 31.483 31.700 -0.054 0.000 0.788 541 V N 0.468 120.311 119.914 -0.120 0.000 2.255 541 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 541 V C 2.490 178.468 176.094 -0.194 0.000 1.051 541 V CA 2.071 64.276 62.300 -0.159 0.000 1.018 541 V CB -1.144 30.605 31.823 -0.123 0.000 0.641 541 V HN 0.140 nan 8.190 nan 0.000 0.445 542 K N 0.039 120.339 120.400 -0.166 0.000 2.044 542 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 542 K C 2.151 178.648 176.600 -0.170 0.000 1.049 542 K CA 2.169 58.349 56.287 -0.178 0.000 0.927 542 K CB -0.193 32.233 32.500 -0.125 0.000 0.713 542 K HN 0.592 nan 8.250 nan 0.000 0.443 543 E N 0.091 120.207 120.200 -0.139 0.000 2.150 543 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 543 E C 2.005 178.506 176.600 -0.164 0.000 0.985 543 E CA 0.613 56.937 56.400 -0.128 0.000 0.814 543 E CB 0.072 29.713 29.700 -0.098 0.000 0.752 543 E HN 0.127 nan 8.360 nan 0.000 0.466 544 K N 1.410 121.691 120.400 -0.198 0.000 1.985 544 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 544 K C 2.022 178.432 176.600 -0.316 0.000 1.047 544 K CA 1.105 57.240 56.287 -0.253 0.000 0.932 544 K CB -0.511 31.816 32.500 -0.288 0.000 0.716 544 K HN 0.128 nan 8.250 nan 0.000 0.439 545 I N 1.099 121.471 120.570 -0.330 0.000 2.091 545 I HA -0.340 3.830 4.170 -0.000 0.000 0.239 545 I C 2.338 178.328 176.117 -0.211 0.000 1.061 545 I CA 1.279 62.380 61.300 -0.332 0.000 1.317 545 I CB -0.281 37.477 38.000 -0.403 0.000 1.031 545 I HN 0.111 nan 8.210 nan 0.000 0.401 546 L N 0.432 121.553 121.223 -0.170 0.000 2.265 546 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 546 L C 2.765 179.568 176.870 -0.111 0.000 1.117 546 L CA 1.427 56.205 54.840 -0.103 0.000 0.782 546 L CB -0.634 41.374 42.059 -0.085 0.000 0.914 546 L HN 0.432 nan 8.230 nan 0.000 0.441 547 S N -0.686 114.919 115.700 -0.157 0.000 2.357 547 S HA -0.117 4.353 4.470 -0.000 0.000 0.221 547 S C 1.861 176.348 174.600 -0.187 0.000 1.031 547 S CA 1.076 59.187 58.200 -0.148 0.000 0.982 547 S CB -0.632 62.474 63.200 -0.158 0.000 0.853 547 S HN 0.163 nan 8.310 nan 0.000 0.458 548 V N 2.231 121.957 119.914 -0.313 0.000 2.515 548 V HA -0.061 4.059 4.120 -0.000 0.000 0.250 548 V C 2.537 178.379 176.094 -0.420 0.000 1.058 548 V CA 1.086 63.095 62.300 -0.485 0.000 1.064 548 V CB -0.807 30.520 31.823 -0.827 0.000 0.675 548 V HN 0.435 nan 8.190 nan 0.000 0.461 549 I N 0.390 120.850 120.570 -0.183 0.000 2.226 549 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 549 I C 2.456 178.601 176.117 0.047 0.000 1.100 549 I CA 1.683 62.984 61.300 0.002 0.000 1.374 549 I CB -1.068 36.972 38.000 0.067 0.000 1.057 549 I HN 0.309 nan 8.210 nan 0.000 0.413 550 K N 1.390 121.790 120.400 0.000 0.000 2.057 550 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 550 K C 1.980 178.617 176.600 0.061 0.000 1.049 550 K CA 1.407 57.711 56.287 0.027 0.000 0.931 550 K CB -0.110 32.387 32.500 -0.005 0.000 0.714 550 K HN 0.387 nan 8.250 nan 0.000 0.440 551 E N -0.993 119.232 120.200 0.041 0.000 2.038 551 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 551 E C 1.914 178.681 176.600 0.279 0.000 1.000 551 E CA 1.390 57.862 56.400 0.119 0.000 0.803 551 E CB -0.358 29.401 29.700 0.098 0.000 0.750 551 E HN 0.375 nan 8.360 nan 0.000 0.448 552 W N 0.642 121.970 121.300 0.046 0.000 2.363 552 W HA -0.001 4.659 4.660 -0.000 0.000 0.296 552 W C 2.459 179.005 176.519 0.044 0.000 1.212 552 W CA 1.137 58.515 57.345 0.055 0.000 1.260 552 W CB -1.127 28.389 29.460 0.092 0.000 1.131 552 W HN 0.145 nan 8.180 nan 0.000 0.530 553 G N -1.163 107.801 108.800 0.274 0.000 2.534 553 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 553 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 553 G C 0.001 174.967 174.900 0.110 0.000 1.128 553 G CA 1.299 46.499 45.100 0.167 0.000 0.784 553 G HN 0.163 nan 8.290 nan 0.000 0.542 554 T N -2.963 111.654 114.554 0.105 0.000 3.262 554 T HA 0.635 4.984 4.350 -0.000 0.000 0.336 554 T C -0.053 174.685 174.700 0.062 0.000 0.911 554 T CA 0.015 62.155 62.100 0.066 0.000 1.154 554 T CB 1.288 70.184 68.868 0.046 0.000 1.007 554 T HN 0.501 nan 8.240 nan 0.000 0.488 555 G N 1.827 110.660 108.800 0.056 0.000 2.827 555 G HA2 0.417 4.377 3.960 -0.000 0.000 0.202 555 G HA3 0.417 4.377 3.960 -0.000 0.000 0.202 555 G C 0.017 174.932 174.900 0.024 0.000 1.185 555 G CA -0.932 44.195 45.100 0.046 0.000 0.920 555 G HN 0.404 nan 8.290 nan 0.000 0.550 556 R N 0.217 120.727 120.500 0.018 0.000 2.310 556 R HA 0.172 4.512 4.340 -0.000 0.000 0.202 556 R C 0.911 177.207 176.300 -0.007 0.000 0.933 556 R CA 1.387 57.490 56.100 0.005 0.000 1.054 556 R CB 0.261 30.562 30.300 0.001 0.000 0.985 556 R HN 0.563 nan 8.270 nan 0.000 0.489 557 D N -2.286 118.109 120.400 -0.008 0.000 2.469 557 D HA -0.020 4.620 4.640 -0.000 0.000 0.240 557 D C 0.137 176.429 176.300 -0.013 0.000 1.087 557 D CA -0.065 53.914 54.000 -0.035 0.000 0.876 557 D CB -0.118 40.630 40.800 -0.087 0.000 1.160 557 D HN -0.248 nan 8.370 nan 0.000 0.497 558 T N 1.216 115.782 114.554 0.021 0.000 3.290 558 T HA -0.191 4.159 4.350 -0.000 0.000 0.422 558 T C 0.144 174.865 174.700 0.035 0.000 0.771 558 T CA 0.361 62.484 62.100 0.039 0.000 2.100 558 T CB -1.636 67.247 68.868 0.025 0.000 1.676 558 T HN 0.286 nan 8.240 nan 0.000 0.613 559 L N 0.149 121.401 121.223 0.048 0.000 2.399 559 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 559 L C 1.036 177.950 176.870 0.075 0.000 1.114 559 L CA -0.965 53.896 54.840 0.036 0.000 0.804 559 L CB 0.628 42.692 42.059 0.008 0.000 1.146 559 L HN 0.147 nan 8.230 nan 0.000 0.451 560 R N 0.680 121.213 120.500 0.055 0.000 2.316 560 R HA 0.263 4.603 4.340 -0.000 0.000 0.314 560 R C -1.263 175.092 176.300 0.092 0.000 1.069 560 R CA 0.089 56.230 56.100 0.067 0.000 0.959 560 R CB 0.220 30.548 30.300 0.047 0.000 0.987 560 R HN 0.555 nan 8.270 nan 0.000 0.446 561 C N 5.082 124.453 119.300 0.118 0.000 2.417 561 C HA 0.596 5.056 4.460 -0.000 0.000 0.324 561 C C -1.195 173.860 174.990 0.109 0.000 1.240 561 C CA -0.876 58.229 59.018 0.145 0.000 1.632 561 C CB 0.965 28.829 27.740 0.207 0.000 2.241 561 C HN 0.526 nan 8.230 nan 0.000 0.499 562 L N 2.858 124.131 121.223 0.084 0.000 2.385 562 L HA 0.701 5.041 4.340 -0.000 0.000 0.273 562 L C 0.356 177.240 176.870 0.022 0.000 0.990 562 L CA -0.286 54.589 54.840 0.058 0.000 0.821 562 L CB 1.342 43.424 42.059 0.039 0.000 1.279 562 L HN 0.823 nan 8.230 nan 0.000 0.412 563 A N 4.717 127.564 122.820 0.044 0.000 2.301 563 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 563 A C -0.659 176.887 177.584 -0.063 0.000 1.185 563 A CA -0.363 51.688 52.037 0.024 0.000 0.830 563 A CB 0.217 19.321 19.000 0.173 0.000 1.112 563 A HN 0.651 nan 8.150 nan 0.000 0.508 564 L N 1.967 123.056 121.223 -0.223 0.000 2.317 564 L HA 0.790 5.130 4.340 -0.000 0.000 0.281 564 L C 0.381 177.090 176.870 -0.270 0.000 1.024 564 L CA -0.265 54.453 54.840 -0.203 0.000 0.810 564 L CB 1.728 43.651 42.059 -0.227 0.000 1.240 564 L HN 0.853 nan 8.230 nan 0.000 0.427 565 A N 1.553 124.311 122.820 -0.103 0.000 2.583 565 A HA 0.918 5.238 4.320 -0.000 0.000 0.289 565 A C -0.722 176.899 177.584 0.061 0.000 1.151 565 A CA -0.368 51.640 52.037 -0.049 0.000 0.695 565 A CB 2.236 21.249 19.000 0.021 0.000 1.290 565 A HN 0.632 nan 8.150 nan 0.000 0.419 566 T N -1.233 113.368 114.554 0.079 0.000 2.894 566 T HA 0.664 5.014 4.350 -0.000 0.000 0.309 566 T C -0.928 173.782 174.700 0.017 0.000 1.208 566 T CA -0.678 61.476 62.100 0.090 0.000 1.016 566 T CB 1.661 70.651 68.868 0.203 0.000 1.192 566 T HN 0.810 nan 8.240 nan 0.000 0.491 567 R N 1.624 122.081 120.500 -0.072 0.000 2.215 567 R HA 0.254 4.594 4.340 -0.000 0.000 0.336 567 R C -0.122 176.113 176.300 -0.109 0.000 0.996 567 R CA -0.507 55.564 56.100 -0.048 0.000 0.847 567 R CB 0.579 30.854 30.300 -0.041 0.000 1.127 567 R HN 0.709 nan 8.270 nan 0.000 0.465 568 D N 1.737 122.097 120.400 -0.067 0.000 2.219 568 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 568 D C -0.129 176.110 176.300 -0.102 0.000 0.970 568 D CA 1.420 55.362 54.000 -0.098 0.000 0.851 568 D CB 0.480 41.215 40.800 -0.108 0.000 0.943 568 D HN 0.429 nan 8.370 nan 0.000 0.488 569 T N 2.679 117.191 114.554 -0.069 0.000 3.305 569 T HA 0.227 4.577 4.350 -0.000 0.000 0.348 569 T C -2.491 172.195 174.700 -0.023 0.000 1.394 569 T CA -1.177 60.894 62.100 -0.048 0.000 1.549 569 T CB 2.408 71.265 68.868 -0.017 0.000 0.962 569 T HN -0.001 nan 8.240 nan 0.000 0.609 570 P HA 0.372 nan 4.420 nan 0.000 0.274 570 P C -2.735 174.611 177.300 0.076 0.000 1.256 570 P CA -1.361 61.734 63.100 -0.009 0.000 0.795 570 P CB -0.064 31.553 31.700 -0.138 0.000 1.038 571 P HA 0.184 nan 4.420 nan 0.000 0.271 571 P C -0.352 177.029 177.300 0.134 0.000 1.233 571 P CA -0.014 63.154 63.100 0.114 0.000 0.789 571 P CB 0.254 32.010 31.700 0.093 0.000 0.951 572 K N 1.260 121.709 120.400 0.082 0.000 2.368 572 K HA 0.084 4.404 4.320 -0.000 0.000 0.282 572 K C 1.588 178.189 176.600 0.003 0.000 1.035 572 K CA -0.055 56.276 56.287 0.073 0.000 0.973 572 K CB 0.260 32.785 32.500 0.042 0.000 0.957 572 K HN 0.297 nan 8.250 nan 0.000 0.474 573 R N 2.272 122.762 120.500 -0.018 0.000 2.190 573 R HA -0.350 3.990 4.340 -0.000 0.000 0.255 573 R C 0.935 177.132 176.300 -0.172 0.000 1.143 573 R CA 2.360 58.341 56.100 -0.199 0.000 0.965 573 R CB 0.032 30.269 30.300 -0.104 0.000 0.889 573 R HN 0.654 nan 8.270 nan 0.000 0.448 574 E N 0.473 120.620 120.200 -0.088 0.000 2.023 574 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 574 E C 1.640 178.198 176.600 -0.069 0.000 1.003 574 E CA 2.021 58.377 56.400 -0.074 0.000 0.809 574 E CB -0.322 29.358 29.700 -0.033 0.000 0.755 574 E HN 0.646 nan 8.360 nan 0.000 0.449 575 E N 0.535 120.715 120.200 -0.034 0.000 2.501 575 E HA -0.128 4.222 4.350 -0.000 0.000 0.203 575 E C 0.042 176.647 176.600 0.008 0.000 1.072 575 E CA 0.389 56.794 56.400 0.007 0.000 0.885 575 E CB -0.397 29.330 29.700 0.044 0.000 0.813 575 E HN 0.277 nan 8.360 nan 0.000 0.556 576 M N 1.706 121.232 119.600 -0.124 0.000 2.157 576 M HA 0.211 4.691 4.480 -0.000 0.000 0.354 576 M C -0.801 175.430 176.300 -0.114 0.000 1.170 576 M CA -0.645 54.498 55.300 -0.261 0.000 1.060 576 M CB 2.269 34.527 32.600 -0.571 0.000 1.615 576 M HN -0.170 nan 8.290 nan 0.000 0.460 577 V N 5.839 125.849 119.914 0.160 0.000 2.284 577 V HA 0.110 4.230 4.120 -0.000 0.000 0.260 577 V C 1.203 177.442 176.094 0.241 0.000 1.084 577 V CA -0.122 62.272 62.300 0.156 0.000 0.894 577 V CB 0.012 31.948 31.823 0.188 0.000 1.119 577 V HN 0.887 nan 8.190 nan 0.000 0.484 578 L N 2.482 123.732 121.223 0.045 0.000 2.201 578 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 578 L C 2.011 179.033 176.870 0.254 0.000 1.105 578 L CA 1.434 56.344 54.840 0.117 0.000 0.775 578 L CB -0.414 41.509 42.059 -0.227 0.000 0.913 578 L HN 0.768 nan 8.230 nan 0.000 0.440 579 D N -1.658 118.810 120.400 0.115 0.000 2.363 579 D HA -0.107 4.533 4.640 -0.000 0.000 0.226 579 D C 0.264 176.574 176.300 0.017 0.000 1.020 579 D CA 0.156 54.197 54.000 0.068 0.000 0.892 579 D CB -0.063 40.751 40.800 0.023 0.000 0.900 579 D HN 0.116 nan 8.370 nan 0.000 0.531 580 D N -0.372 120.025 120.400 -0.004 0.000 2.389 580 D HA 0.124 4.764 4.640 -0.000 0.000 0.256 580 D C 0.928 176.899 176.300 -0.548 0.000 1.239 580 D CA -0.394 53.507 54.000 -0.165 0.000 0.925 580 D CB 1.231 41.983 40.800 -0.081 0.000 1.145 580 D HN -0.025 nan 8.370 nan 0.000 0.542 581 S N 1.257 116.438 115.700 -0.865 0.000 2.419 581 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 581 S C 1.875 175.922 174.600 -0.921 0.000 1.016 581 S CA 1.066 58.245 58.200 -1.702 0.000 0.974 581 S CB -0.401 62.278 63.200 -0.868 0.000 0.786 581 S HN 0.388 nan 8.310 nan 0.000 0.492 582 S N 1.417 116.837 115.700 -0.467 0.000 2.584 582 S HA 0.056 4.526 4.470 -0.000 0.000 0.240 582 S C 1.519 175.974 174.600 -0.242 0.000 0.975 582 S CA 0.171 58.210 58.200 -0.268 0.000 0.949 582 S CB -0.407 62.686 63.200 -0.178 0.000 0.761 582 S HN 0.633 nan 8.310 nan 0.000 0.536 583 R N -0.875 119.441 120.500 -0.306 0.000 2.397 583 R HA 0.392 4.732 4.340 -0.000 0.000 0.241 583 R C 1.236 177.355 176.300 -0.303 0.000 0.914 583 R CA 0.015 55.934 56.100 -0.302 0.000 1.071 583 R CB -0.102 30.038 30.300 -0.267 0.000 1.116 583 R HN 0.495 nan 8.270 nan 0.000 0.524 584 F N 0.881 120.744 119.950 -0.145 0.000 2.146 584 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 584 F C 2.602 178.409 175.800 0.012 0.000 1.096 584 F CA 0.631 58.672 58.000 0.068 0.000 1.275 584 F CB -0.117 38.957 39.000 0.124 0.000 1.008 584 F HN 0.026 nan 8.300 nan 0.000 0.480 585 M N 0.581 120.265 119.600 0.140 0.000 2.149 585 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 585 M C 2.023 178.345 176.300 0.036 0.000 1.064 585 M CA 1.859 57.198 55.300 0.065 0.000 1.102 585 M CB -0.200 32.403 32.600 0.005 0.000 1.369 585 M HN 0.015 nan 8.290 nan 0.000 0.408 586 E N -0.338 119.832 120.200 -0.051 0.000 2.208 586 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 586 E C 1.357 177.976 176.600 0.032 0.000 0.988 586 E CA 1.520 57.881 56.400 -0.064 0.000 0.828 586 E CB -0.325 29.276 29.700 -0.165 0.000 0.763 586 E HN 0.606 nan 8.360 nan 0.000 0.478 587 Y N 0.884 121.253 120.300 0.115 0.000 2.263 587 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 587 Y C 0.923 176.871 175.900 0.079 0.000 1.130 587 Y CA 0.868 59.032 58.100 0.107 0.000 1.179 587 Y CB -0.129 38.409 38.460 0.129 0.000 0.998 587 Y HN 0.071 nan 8.280 nan 0.000 0.532 588 E N 0.590 120.928 120.200 0.231 0.000 2.392 588 E HA 0.125 4.475 4.350 -0.000 0.000 0.307 588 E C -0.292 176.371 176.600 0.105 0.000 1.505 588 E CA 0.038 56.521 56.400 0.139 0.000 1.716 588 E CB -0.103 29.667 29.700 0.117 0.000 1.450 588 E HN 0.070 nan 8.360 nan 0.000 0.484 589 T N 0.135 114.755 114.554 0.110 0.000 2.916 589 T HA 0.119 4.469 4.350 -0.000 0.000 0.292 589 T C -0.420 174.337 174.700 0.094 0.000 1.064 589 T CA -0.571 61.580 62.100 0.086 0.000 1.011 589 T CB 1.250 70.162 68.868 0.073 0.000 1.152 589 T HN 0.264 nan 8.240 nan 0.000 0.510 590 D N 1.148 121.597 120.400 0.083 0.000 2.716 590 D HA -0.136 4.504 4.640 -0.000 0.000 0.239 590 D C -0.432 175.973 176.300 0.175 0.000 1.125 590 D CA 0.507 54.575 54.000 0.115 0.000 0.681 590 D CB -1.319 39.564 40.800 0.139 0.000 1.070 590 D HN 0.353 nan 8.370 nan 0.000 0.432 591 L N -0.461 120.848 121.223 0.144 0.000 2.421 591 L HA 0.460 4.800 4.340 -0.000 0.000 0.263 591 L C 1.113 178.128 176.870 0.240 0.000 1.122 591 L CA -0.408 54.529 54.840 0.162 0.000 0.804 591 L CB 1.185 43.318 42.059 0.124 0.000 1.150 591 L HN -0.044 nan 8.230 nan 0.000 0.457 592 T N 1.624 116.306 114.554 0.213 0.000 2.756 592 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 592 T C -0.429 174.390 174.700 0.200 0.000 0.985 592 T CA -0.293 61.955 62.100 0.245 0.000 0.955 592 T CB 0.407 69.367 68.868 0.154 0.000 0.930 592 T HN 0.258 nan 8.240 nan 0.000 0.451 593 F N 4.294 124.306 119.950 0.104 0.000 2.529 593 F HA 0.293 4.820 4.527 -0.000 0.000 0.365 593 F C 0.705 176.545 175.800 0.067 0.000 1.102 593 F CA 0.189 58.233 58.000 0.073 0.000 1.271 593 F CB 0.577 39.619 39.000 0.070 0.000 1.120 593 F HN 0.335 nan 8.300 nan 0.000 0.579 594 V N 4.257 123.689 119.914 -0.804 0.000 2.996 594 V HA 0.487 4.607 4.120 -0.000 0.000 0.235 594 V C 0.900 176.575 176.094 -0.699 0.000 1.205 594 V CA 0.653 62.646 62.300 -0.511 0.000 1.225 594 V CB 0.168 31.818 31.823 -0.289 0.000 0.995 594 V HN 1.053 nan 8.190 nan 0.000 0.484 595 G N -0.803 107.326 108.800 -1.118 0.000 2.489 595 G HA2 0.548 4.508 3.960 -0.000 0.000 0.305 595 G HA3 0.548 4.508 3.960 -0.000 0.000 0.305 595 G C -2.241 172.229 174.900 -0.717 0.000 1.311 595 G CA -0.148 44.493 45.100 -0.764 0.000 0.813 595 G HN 0.001 nan 8.290 nan 0.000 0.480 596 V N -0.114 119.378 119.914 -0.704 0.000 2.851 596 V HA 0.711 4.831 4.120 -0.000 0.000 0.307 596 V C -0.218 175.746 176.094 -0.216 0.000 1.129 596 V CA -0.560 61.447 62.300 -0.489 0.000 0.932 596 V CB 1.745 33.135 31.823 -0.723 0.000 1.024 596 V HN 1.422 nan 8.190 nan 0.000 0.426 597 V N 0.897 120.784 119.914 -0.045 0.000 2.864 597 V HA 1.083 5.202 4.120 -0.000 0.000 0.314 597 V C 0.121 176.281 176.094 0.110 0.000 1.073 597 V CA -0.454 61.867 62.300 0.035 0.000 0.956 597 V CB 1.862 33.670 31.823 -0.026 0.000 1.023 597 V HN 1.078 nan 8.190 nan 0.000 0.435 598 G N 4.279 113.126 108.800 0.077 0.000 2.609 598 G HA2 0.718 4.678 3.960 -0.000 0.000 0.308 598 G HA3 0.718 4.678 3.960 -0.000 0.000 0.308 598 G C -0.826 174.053 174.900 -0.036 0.000 1.369 598 G CA -0.866 44.263 45.100 0.047 0.000 0.958 598 G HN 1.212 nan 8.290 nan 0.000 0.499 599 M N 1.818 121.413 119.600 -0.009 0.000 2.644 599 M HA 0.896 5.376 4.480 -0.000 0.000 0.304 599 M C -1.338 174.945 176.300 -0.027 0.000 1.215 599 M CA -1.135 54.149 55.300 -0.027 0.000 0.871 599 M CB 2.714 35.312 32.600 -0.003 0.000 1.740 599 M HN 0.555 nan 8.290 nan 0.000 0.464 600 L N -0.552 120.645 121.223 -0.043 0.000 2.775 600 L HA 0.607 4.947 4.340 -0.000 0.000 0.263 600 L C -1.865 174.972 176.870 -0.056 0.000 1.017 600 L CA -0.874 53.941 54.840 -0.040 0.000 0.891 600 L CB 0.816 42.846 42.059 -0.048 0.000 1.482 600 L HN 0.883 nan 8.230 nan 0.000 0.410 601 D N 2.961 123.331 120.400 -0.050 0.000 2.393 601 D HA 0.524 5.164 4.640 -0.000 0.000 0.232 601 D C -2.325 173.930 176.300 -0.074 0.000 1.192 601 D CA -1.181 52.779 54.000 -0.066 0.000 0.882 601 D CB 0.840 41.613 40.800 -0.046 0.000 1.038 601 D HN 0.460 nan 8.370 nan 0.000 0.499 602 P HA 0.193 nan 4.420 nan 0.000 0.271 602 P C -2.595 174.655 177.300 -0.083 0.000 1.233 602 P CA -1.273 61.775 63.100 -0.086 0.000 0.789 602 P CB -0.140 31.504 31.700 -0.092 0.000 0.951 603 P HA 0.255 nan 4.420 nan 0.000 0.279 603 P C -0.360 176.891 177.300 -0.081 0.000 1.252 603 P CA -0.369 62.677 63.100 -0.091 0.000 0.811 603 P CB 0.921 32.562 31.700 -0.097 0.000 1.035 604 R N 1.164 121.615 120.500 -0.082 0.000 2.491 604 R HA 0.106 4.446 4.340 -0.000 0.000 0.283 604 R C 1.753 178.021 176.300 -0.053 0.000 1.072 604 R CA -0.205 55.860 56.100 -0.058 0.000 1.048 604 R CB 0.397 30.672 30.300 -0.041 0.000 0.983 604 R HN 0.441 nan 8.270 nan 0.000 0.450 605 K N 1.892 122.269 120.400 -0.037 0.000 2.059 605 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 605 K C 1.249 177.835 176.600 -0.023 0.000 1.050 605 K CA 1.750 58.019 56.287 -0.030 0.000 0.927 605 K CB 0.063 32.551 32.500 -0.020 0.000 0.714 605 K HN 0.600 nan 8.250 nan 0.000 0.447 606 E N 1.338 121.532 120.200 -0.010 0.000 2.359 606 E HA -0.009 4.341 4.350 -0.000 0.000 0.187 606 E C 1.105 177.709 176.600 0.007 0.000 1.081 606 E CA 0.229 56.632 56.400 0.006 0.000 0.929 606 E CB 0.017 29.733 29.700 0.026 0.000 1.086 606 E HN 0.064 nan 8.360 nan 0.000 0.462 607 V N 0.558 120.447 119.914 -0.043 0.000 2.685 607 V HA -0.056 4.064 4.120 -0.000 0.000 0.244 607 V C 2.475 178.512 176.094 -0.096 0.000 1.054 607 V CA 1.322 63.558 62.300 -0.106 0.000 1.076 607 V CB -0.476 31.209 31.823 -0.229 0.000 0.725 607 V HN 0.274 nan 8.190 nan 0.000 0.467 608 M N 0.836 120.392 119.600 -0.074 0.000 2.080 608 M HA -0.109 4.371 4.480 -0.000 0.000 0.260 608 M C 2.063 178.347 176.300 -0.027 0.000 1.068 608 M CA 2.426 57.691 55.300 -0.058 0.000 1.109 608 M CB -0.581 31.991 32.600 -0.046 0.000 1.342 608 M HN 0.390 nan 8.290 nan 0.000 0.405 609 G N -0.712 108.082 108.800 -0.010 0.000 2.459 609 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 609 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 609 G C 1.399 176.316 174.900 0.029 0.000 1.183 609 G CA 1.123 46.227 45.100 0.007 0.000 0.776 609 G HN 0.543 nan 8.290 nan 0.000 0.552 610 S N 0.575 116.309 115.700 0.056 0.000 2.387 610 S HA -0.097 4.373 4.470 -0.000 0.000 0.230 610 S C 2.243 176.917 174.600 0.123 0.000 1.035 610 S CA 1.128 59.398 58.200 0.117 0.000 1.014 610 S CB -0.241 63.103 63.200 0.240 0.000 0.836 610 S HN 0.390 nan 8.310 nan 0.000 0.466 611 I N 1.035 121.652 120.570 0.078 0.000 2.439 611 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 611 I C 2.696 178.831 176.117 0.030 0.000 1.139 611 I CA 0.963 62.297 61.300 0.055 0.000 1.438 611 I CB -0.276 37.709 38.000 -0.026 0.000 1.085 611 I HN 0.258 nan 8.210 nan 0.000 0.427 612 Q N 1.435 121.246 119.800 0.017 0.000 2.079 612 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 612 Q C 2.116 178.126 176.000 0.016 0.000 0.974 612 Q CA 1.717 57.526 55.803 0.010 0.000 0.840 612 Q CB -0.310 28.431 28.738 0.005 0.000 0.898 612 Q HN 0.471 nan 8.270 nan 0.000 0.430 613 L N -0.861 120.376 121.223 0.024 0.000 2.046 613 L HA -0.234 4.105 4.340 -0.000 0.000 0.208 613 L C 2.528 179.410 176.870 0.021 0.000 1.077 613 L CA 1.103 55.956 54.840 0.021 0.000 0.747 613 L CB -0.713 41.361 42.059 0.024 0.000 0.896 613 L HN 0.329 nan 8.230 nan 0.000 0.432 614 C N -0.411 118.909 119.300 0.034 0.000 2.413 614 C HA -0.200 4.260 4.460 -0.000 0.000 0.277 614 C C 3.049 178.050 174.990 0.018 0.000 1.265 614 C CA 1.003 60.039 59.018 0.030 0.000 1.752 614 C CB -0.984 26.791 27.740 0.059 0.000 1.998 614 C HN 0.457 nan 8.230 nan 0.000 0.489 615 R N 0.754 121.264 120.500 0.017 0.000 2.096 615 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 615 R C 1.682 177.985 176.300 0.005 0.000 1.127 615 R CA 1.777 57.883 56.100 0.009 0.000 0.968 615 R CB -0.328 29.976 30.300 0.007 0.000 0.861 615 R HN 0.505 nan 8.270 nan 0.000 0.440 616 D N 0.303 120.706 120.400 0.006 0.000 2.144 616 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 616 D C 1.281 177.581 176.300 0.001 0.000 0.984 616 D CA 1.504 55.505 54.000 0.003 0.000 0.834 616 D CB -0.115 40.687 40.800 0.004 0.000 0.955 616 D HN 0.370 nan 8.370 nan 0.000 0.465 617 A N -0.105 122.716 122.820 0.001 0.000 2.276 617 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 617 A C 1.568 179.149 177.584 -0.004 0.000 1.230 617 A CA 0.822 52.858 52.037 -0.003 0.000 0.844 617 A CB -0.462 18.535 19.000 -0.005 0.000 0.860 617 A HN 0.225 nan 8.150 nan 0.000 0.486 618 G N -0.479 108.320 108.800 -0.002 0.000 2.221 618 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 618 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 618 G C -0.072 174.826 174.900 -0.004 0.000 1.041 618 G CA 0.478 45.576 45.100 -0.004 0.000 0.807 618 G HN 0.544 nan 8.290 nan 0.000 0.502 619 I N 0.728 121.298 120.570 -0.000 0.000 2.362 619 I HA 0.403 4.573 4.170 -0.000 0.000 0.289 619 I C 0.949 177.072 176.117 0.009 0.000 0.994 619 I CA -1.103 60.198 61.300 0.002 0.000 1.158 619 I CB 1.256 39.257 38.000 0.001 0.000 1.315 619 I HN 0.365 nan 8.210 nan 0.000 0.451 620 R N 5.587 126.091 120.500 0.008 0.000 2.528 620 R HA 0.740 5.079 4.340 -0.000 0.000 0.271 620 R C -1.390 174.924 176.300 0.023 0.000 1.056 620 R CA -0.593 55.513 56.100 0.011 0.000 1.117 620 R CB 1.388 31.692 30.300 0.006 0.000 1.085 620 R HN 0.330 nan 8.270 nan 0.000 0.530 621 V N 3.724 123.647 119.914 0.016 0.000 2.487 621 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 621 V C -0.119 175.970 176.094 -0.009 0.000 1.028 621 V CA -0.714 61.603 62.300 0.027 0.000 0.860 621 V CB 1.549 33.394 31.823 0.036 0.000 0.991 621 V HN 0.675 nan 8.190 nan 0.000 0.427 622 I N 4.582 125.163 120.570 0.019 0.000 2.569 622 I HA 0.515 4.685 4.170 -0.000 0.000 0.296 622 I C -0.275 175.857 176.117 0.025 0.000 1.028 622 I CA -0.543 60.774 61.300 0.029 0.000 1.082 622 I CB 2.105 40.169 38.000 0.106 0.000 1.264 622 I HN 0.539 nan 8.210 nan 0.000 0.429 623 M N 6.881 126.485 119.600 0.007 0.000 2.238 623 M HA 0.580 5.060 4.480 -0.000 0.000 0.350 623 M C -1.583 174.777 176.300 0.100 0.000 1.138 623 M CA -0.361 54.943 55.300 0.006 0.000 1.040 623 M CB 1.097 33.656 32.600 -0.069 0.000 1.639 623 M HN 0.459 nan 8.290 nan 0.000 0.451 624 I N 3.995 124.607 120.570 0.069 0.000 2.476 624 I HA 0.321 4.491 4.170 -0.000 0.000 0.281 624 I C -0.563 175.574 176.117 0.032 0.000 1.040 624 I CA -0.351 60.996 61.300 0.077 0.000 1.094 624 I CB 2.056 40.059 38.000 0.006 0.000 1.219 624 I HN 0.610 nan 8.210 nan 0.000 0.450 625 T N 2.646 117.222 114.554 0.036 0.000 2.906 625 T HA 0.519 4.869 4.350 -0.000 0.000 0.295 625 T C 0.885 175.591 174.700 0.010 0.000 1.075 625 T CA -0.258 61.850 62.100 0.013 0.000 1.005 625 T CB 1.840 70.710 68.868 0.004 0.000 1.136 625 T HN 0.674 nan 8.240 nan 0.000 0.498 626 G N 1.522 110.322 108.800 0.000 0.000 2.880 626 G HA2 0.125 4.085 3.960 -0.000 0.000 0.209 626 G HA3 0.125 4.085 3.960 -0.000 0.000 0.209 626 G C 0.476 175.377 174.900 0.000 0.000 1.157 626 G CA -0.023 45.076 45.100 -0.002 0.000 0.779 626 G HN 0.668 nan 8.290 nan 0.000 0.539 627 D N 0.520 120.921 120.400 0.002 0.000 2.398 627 D HA 0.087 4.727 4.640 -0.000 0.000 0.247 627 D C 0.237 176.542 176.300 0.009 0.000 1.227 627 D CA -0.528 53.474 54.000 0.004 0.000 0.980 627 D CB 0.511 41.311 40.800 0.000 0.000 1.106 627 D HN -0.094 nan 8.370 nan 0.000 0.493 628 N N 1.014 119.721 118.700 0.012 0.000 2.482 628 N HA -0.026 4.714 4.740 -0.000 0.000 0.260 628 N C 0.816 176.334 175.510 0.013 0.000 1.236 628 N CA -0.098 52.961 53.050 0.016 0.000 0.938 628 N CB 0.775 39.274 38.487 0.020 0.000 1.128 628 N HN 0.427 nan 8.380 nan 0.000 0.448 629 K N 1.282 121.689 120.400 0.013 0.000 2.063 629 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 629 K C 1.792 178.396 176.600 0.007 0.000 1.048 629 K CA 1.723 58.014 56.287 0.006 0.000 0.928 629 K CB -0.574 31.924 32.500 -0.003 0.000 0.713 629 K HN 0.667 nan 8.250 nan 0.000 0.442 630 G N -0.369 108.435 108.800 0.008 0.000 2.446 630 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 630 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 630 G C 1.580 176.488 174.900 0.013 0.000 1.168 630 G CA 1.618 46.724 45.100 0.010 0.000 0.771 630 G HN 0.532 nan 8.290 nan 0.000 0.551 631 T N -0.497 114.065 114.554 0.012 0.000 2.985 631 T HA 0.346 4.695 4.350 -0.000 0.000 0.266 631 T C 2.537 177.238 174.700 0.002 0.000 1.076 631 T CA 1.584 63.688 62.100 0.006 0.000 1.135 631 T CB -0.231 68.639 68.868 0.004 0.000 0.890 631 T HN 0.316 nan 8.240 nan 0.000 0.480 632 A N 1.371 124.195 122.820 0.005 0.000 1.873 632 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 632 A C 2.324 179.920 177.584 0.019 0.000 1.186 632 A CA 1.386 53.423 52.037 0.001 0.000 0.616 632 A CB -0.775 18.228 19.000 0.005 0.000 0.823 632 A HN 0.603 nan 8.150 nan 0.000 0.442 633 I N -0.290 120.313 120.570 0.055 0.000 2.315 633 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 633 I C 2.946 179.127 176.117 0.106 0.000 1.117 633 I CA 0.893 62.273 61.300 0.133 0.000 1.404 633 I CB -0.262 37.793 38.000 0.092 0.000 1.071 633 I HN 0.365 nan 8.210 nan 0.000 0.419 634 A N 1.144 123.991 122.820 0.045 0.000 1.877 634 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 634 A C 2.226 179.814 177.584 0.007 0.000 1.186 634 A CA 1.439 53.490 52.037 0.024 0.000 0.620 634 A CB -0.626 18.378 19.000 0.007 0.000 0.822 634 A HN 0.289 nan 8.150 nan 0.000 0.443 635 I N -0.124 120.438 120.570 -0.014 0.000 2.361 635 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 635 I C 2.552 178.630 176.117 -0.065 0.000 1.133 635 I CA 0.868 62.140 61.300 -0.046 0.000 1.413 635 I CB -1.630 36.333 38.000 -0.061 0.000 1.073 635 I HN 0.377 nan 8.210 nan 0.000 0.424 636 C N 0.480 119.746 119.300 -0.057 0.000 2.425 636 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 636 C C 2.911 177.866 174.990 -0.057 0.000 1.280 636 C CA 0.622 59.557 59.018 -0.137 0.000 1.744 636 C CB -0.989 26.592 27.740 -0.264 0.000 1.989 636 C HN 0.448 nan 8.230 nan 0.000 0.491 637 R N 0.135 120.667 120.500 0.054 0.000 2.090 637 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 637 R C 2.388 178.692 176.300 0.005 0.000 1.110 637 R CA 0.808 56.949 56.100 0.069 0.000 0.973 637 R CB -0.258 30.089 30.300 0.078 0.000 0.869 637 R HN 0.551 nan 8.270 nan 0.000 0.440 638 R N 0.905 121.392 120.500 -0.020 0.000 2.148 638 R HA -0.044 4.295 4.340 -0.000 0.000 0.227 638 R C 2.091 178.357 176.300 -0.057 0.000 1.103 638 R CA 1.233 57.309 56.100 -0.039 0.000 0.983 638 R CB -0.108 30.162 30.300 -0.049 0.000 0.874 638 R HN 0.370 nan 8.270 nan 0.000 0.451 639 I N -4.489 116.034 120.570 -0.079 0.000 3.956 639 I HA 0.393 4.563 4.170 -0.000 0.000 0.333 639 I C 0.779 176.843 176.117 -0.090 0.000 1.302 639 I CA 0.439 61.679 61.300 -0.101 0.000 1.122 639 I CB 0.898 38.805 38.000 -0.155 0.000 1.013 639 I HN 0.145 nan 8.210 nan 0.000 0.405 640 G N 2.125 110.885 108.800 -0.068 0.000 2.144 640 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 640 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 640 G C 0.590 175.445 174.900 -0.074 0.000 0.988 640 G CA 0.322 45.392 45.100 -0.049 0.000 0.659 640 G HN 0.459 nan 8.290 nan 0.000 0.522 641 I N -0.772 119.705 120.570 -0.154 0.000 2.617 641 I HA 0.269 4.439 4.170 -0.000 0.000 0.256 641 I C 1.012 176.963 176.117 -0.277 0.000 1.167 641 I CA 0.957 62.086 61.300 -0.284 0.000 1.469 641 I CB -0.026 37.690 38.000 -0.473 0.000 1.098 641 I HN 0.209 nan 8.210 nan 0.000 0.436 642 F N -0.522 119.403 119.950 -0.042 0.000 2.603 642 F HA 0.532 5.059 4.527 -0.000 0.000 0.317 642 F C 0.773 176.550 175.800 -0.038 0.000 1.066 642 F CA -1.231 56.744 58.000 -0.042 0.000 0.941 642 F CB 1.587 40.556 39.000 -0.051 0.000 1.291 642 F HN -0.249 nan 8.300 nan 0.000 0.472 643 G N 0.830 109.742 108.800 0.185 0.000 2.503 643 G HA2 0.193 4.153 3.960 -0.000 0.000 0.257 643 G HA3 0.193 4.153 3.960 -0.000 0.000 0.257 643 G C 0.350 175.282 174.900 0.052 0.000 1.214 643 G CA -0.187 44.960 45.100 0.077 0.000 0.839 643 G HN 0.813 nan 8.290 nan 0.000 0.559 644 E N 0.488 120.705 120.200 0.029 0.000 2.169 644 E HA -0.159 4.191 4.350 -0.000 0.000 0.202 644 E C 1.499 178.098 176.600 -0.001 0.000 1.016 644 E CA 1.697 58.106 56.400 0.015 0.000 0.817 644 E CB 0.191 29.894 29.700 0.005 0.000 0.736 644 E HN 0.510 nan 8.360 nan 0.000 0.462 645 N N 0.116 118.808 118.700 -0.013 0.000 2.238 645 N HA 0.010 4.750 4.740 -0.000 0.000 0.235 645 N C -0.618 174.857 175.510 -0.059 0.000 1.209 645 N CA -0.050 52.980 53.050 -0.033 0.000 0.879 645 N CB 0.601 39.073 38.487 -0.026 0.000 1.136 645 N HN 0.203 nan 8.380 nan 0.000 0.517 646 E N 1.563 121.722 120.200 -0.069 0.000 2.442 646 E HA -0.081 4.269 4.350 -0.000 0.000 0.262 646 E C -0.349 176.132 176.600 -0.198 0.000 1.004 646 E CA 0.040 56.370 56.400 -0.117 0.000 0.928 646 E CB 0.692 30.327 29.700 -0.108 0.000 0.937 646 E HN 0.003 nan 8.360 nan 0.000 0.446 647 E N 2.907 122.996 120.200 -0.185 0.000 2.194 647 E HA 0.099 4.449 4.350 -0.000 0.000 0.284 647 E C -0.134 176.283 176.600 -0.304 0.000 1.035 647 E CA -0.286 55.992 56.400 -0.203 0.000 0.836 647 E CB 1.267 30.885 29.700 -0.137 0.000 1.070 647 E HN 0.329 nan 8.360 nan 0.000 0.401 648 V N 2.292 121.976 119.914 -0.383 0.000 3.176 648 V HA 0.467 4.587 4.120 -0.000 0.000 0.332 648 V C 1.412 177.290 176.094 -0.360 0.000 1.414 648 V CA 0.403 62.400 62.300 -0.505 0.000 1.133 648 V CB 0.065 31.345 31.823 -0.905 0.000 1.088 648 V HN 0.629 nan 8.190 nan 0.000 0.473 649 A N 2.497 125.159 122.820 -0.264 0.000 1.940 649 A HA -0.279 4.040 4.320 -0.000 0.000 0.221 649 A C 1.819 179.224 177.584 -0.299 0.000 1.190 649 A CA 2.644 54.540 52.037 -0.234 0.000 0.647 649 A CB -0.549 18.358 19.000 -0.155 0.000 0.821 649 A HN 0.851 nan 8.150 nan 0.000 0.457 650 D N -2.262 117.991 120.400 -0.245 0.000 2.398 650 D HA 0.059 4.699 4.640 -0.000 0.000 0.210 650 D C 1.212 177.403 176.300 -0.182 0.000 1.094 650 D CA -0.020 53.856 54.000 -0.207 0.000 0.839 650 D CB -0.264 40.511 40.800 -0.042 0.000 0.963 650 D HN 0.516 nan 8.370 nan 0.000 0.506 651 R N 0.247 120.604 120.500 -0.238 0.000 2.468 651 R HA 0.548 4.888 4.340 -0.000 0.000 0.280 651 R C -0.021 176.217 176.300 -0.103 0.000 0.963 651 R CA -0.071 55.973 56.100 -0.092 0.000 1.083 651 R CB 1.251 31.521 30.300 -0.049 0.000 1.200 651 R HN 0.094 nan 8.270 nan 0.000 0.541 652 A N 0.582 123.164 122.820 -0.396 0.000 2.488 652 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 652 A C -1.672 175.560 177.584 -0.586 0.000 1.045 652 A CA -0.563 51.264 52.037 -0.351 0.000 0.703 652 A CB 1.016 19.929 19.000 -0.145 0.000 1.271 652 A HN 0.156 nan 8.150 nan 0.000 0.400 653 Y N -0.045 120.084 120.300 -0.285 0.000 2.581 653 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 653 Y C 0.897 176.771 175.900 -0.042 0.000 1.036 653 Y CA -0.222 57.815 58.100 -0.104 0.000 1.042 653 Y CB 2.387 40.861 38.460 0.023 0.000 1.289 653 Y HN 0.805 nan 8.280 nan 0.000 0.471 654 T N -2.477 112.196 114.554 0.198 0.000 2.927 654 T HA 0.418 4.768 4.350 -0.000 0.000 0.281 654 T C 1.228 175.989 174.700 0.101 0.000 0.998 654 T CA -0.166 61.999 62.100 0.108 0.000 1.019 654 T CB 1.428 70.341 68.868 0.075 0.000 1.061 654 T HN 0.842 nan 8.240 nan 0.000 0.518 655 G N 0.516 109.278 108.800 -0.063 0.000 2.476 655 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 655 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 655 G C 1.694 176.577 174.900 -0.029 0.000 1.164 655 G CA 0.199 45.072 45.100 -0.377 0.000 0.768 655 G HN 0.669 nan 8.290 nan 0.000 0.560 656 R N 0.464 121.009 120.500 0.075 0.000 2.073 656 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 656 R C 2.566 178.958 176.300 0.153 0.000 1.134 656 R CA 1.530 57.709 56.100 0.132 0.000 0.952 656 R CB -0.546 29.817 30.300 0.106 0.000 0.850 656 R HN 0.547 nan 8.270 nan 0.000 0.433 657 E N -0.429 119.876 120.200 0.175 0.000 2.058 657 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 657 E C 1.790 178.510 176.600 0.200 0.000 0.997 657 E CA 1.400 57.928 56.400 0.215 0.000 0.801 657 E CB -0.299 29.595 29.700 0.324 0.000 0.746 657 E HN 0.229 nan 8.360 nan 0.000 0.450 658 F N 2.128 122.112 119.950 0.056 0.000 2.126 658 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 658 F C 1.778 177.595 175.800 0.027 0.000 1.096 658 F CA 1.571 59.554 58.000 -0.027 0.000 1.255 658 F CB 0.056 39.078 39.000 0.037 0.000 0.997 658 F HN -0.083 nan 8.300 nan 0.000 0.479 659 D N 0.243 120.769 120.400 0.210 0.000 2.218 659 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 659 D C 1.779 178.089 176.300 0.016 0.000 0.976 659 D CA 1.192 55.276 54.000 0.139 0.000 0.853 659 D CB -0.400 40.543 40.800 0.237 0.000 0.939 659 D HN 0.390 nan 8.370 nan 0.000 0.481 660 D N -0.123 120.285 120.400 0.013 0.000 2.162 660 D HA 0.004 4.644 4.640 -0.000 0.000 0.203 660 D C 0.885 177.149 176.300 -0.060 0.000 0.967 660 D CA 0.125 54.123 54.000 -0.003 0.000 0.840 660 D CB 0.206 41.025 40.800 0.032 0.000 0.972 660 D HN 0.221 nan 8.370 nan 0.000 0.482 661 L N 2.655 123.796 121.223 -0.137 0.000 2.483 661 L HA 0.105 4.445 4.340 -0.000 0.000 0.276 661 L C -1.853 174.907 176.870 -0.183 0.000 1.213 661 L CA -1.196 53.536 54.840 -0.180 0.000 0.843 661 L CB -0.043 41.831 42.059 -0.308 0.000 1.107 661 L HN -0.069 nan 8.230 nan 0.000 0.487 662 P HA 0.096 nan 4.420 nan 0.000 0.276 662 P C 0.603 177.818 177.300 -0.142 0.000 1.244 662 P CA -0.670 62.367 63.100 -0.105 0.000 0.801 662 P CB 1.076 32.736 31.700 -0.067 0.000 1.006 663 L N 2.043 123.211 121.223 -0.092 0.000 2.011 663 L HA -0.302 4.038 4.340 -0.000 0.000 0.225 663 L C 2.782 179.561 176.870 -0.153 0.000 1.084 663 L CA 3.102 57.899 54.840 -0.071 0.000 0.791 663 L CB -2.454 39.611 42.059 0.009 0.000 0.898 663 L HN 0.502 nan 8.230 nan 0.000 0.440 664 A N -1.465 121.287 122.820 -0.113 0.000 1.940 664 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 664 A C 2.207 179.698 177.584 -0.155 0.000 1.176 664 A CA 1.591 53.556 52.037 -0.119 0.000 0.631 664 A CB -0.404 18.556 19.000 -0.068 0.000 0.814 664 A HN 0.521 nan 8.150 nan 0.000 0.446 665 E N -0.234 119.868 120.200 -0.163 0.000 2.072 665 E HA -0.208 4.141 4.350 -0.000 0.000 0.191 665 E C 2.198 178.637 176.600 -0.269 0.000 0.985 665 E CA 1.273 57.572 56.400 -0.169 0.000 0.801 665 E CB -0.352 29.255 29.700 -0.154 0.000 0.750 665 E HN 0.777 nan 8.360 nan 0.000 0.452 666 Q N 0.486 120.028 119.800 -0.430 0.000 2.061 666 Q HA -0.196 4.143 4.340 -0.000 0.000 0.204 666 Q C 2.327 177.994 176.000 -0.555 0.000 0.984 666 Q CA 1.575 56.980 55.803 -0.662 0.000 0.846 666 Q CB -0.146 28.113 28.738 -0.798 0.000 0.902 666 Q HN 0.101 nan 8.270 nan 0.000 0.421 667 R N 0.649 120.683 120.500 -0.776 0.000 2.088 667 R HA -0.240 4.100 4.340 -0.000 0.000 0.232 667 R C 2.184 178.445 176.300 -0.065 0.000 1.136 667 R CA 1.923 57.641 56.100 -0.637 0.000 0.926 667 R CB -0.206 29.835 30.300 -0.431 0.000 0.837 667 R HN 0.096 nan 8.270 nan 0.000 0.429 668 E N 0.381 120.575 120.200 -0.010 0.000 2.130 668 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 668 E C 1.643 178.283 176.600 0.066 0.000 0.998 668 E CA 1.895 58.334 56.400 0.065 0.000 0.806 668 E CB -0.377 29.342 29.700 0.031 0.000 0.738 668 E HN 0.480 nan 8.360 nan 0.000 0.459 669 A N -0.266 122.589 122.820 0.058 0.000 1.978 669 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 669 A C 2.477 180.275 177.584 0.357 0.000 1.170 669 A CA 1.570 53.714 52.037 0.179 0.000 0.636 669 A CB -0.952 18.105 19.000 0.095 0.000 0.810 669 A HN 0.515 nan 8.150 nan 0.000 0.448 670 C N -1.429 118.050 119.300 0.298 0.000 2.456 670 C HA 0.085 4.545 4.460 -0.000 0.000 0.279 670 C C 2.646 177.737 174.990 0.169 0.000 1.427 670 C CA 0.665 59.859 59.018 0.294 0.000 1.778 670 C CB -1.325 26.541 27.740 0.210 0.000 1.842 670 C HN 0.578 nan 8.230 nan 0.000 0.531 671 R N -0.082 120.453 120.500 0.058 0.000 2.189 671 R HA 0.067 4.407 4.340 -0.000 0.000 0.203 671 R C 2.468 178.777 176.300 0.016 0.000 1.012 671 R CA 0.298 56.355 56.100 -0.072 0.000 1.015 671 R CB -0.091 30.044 30.300 -0.275 0.000 0.938 671 R HN 0.457 nan 8.270 nan 0.000 0.472 672 R N 0.468 121.021 120.500 0.087 0.000 2.123 672 R HA 0.202 4.542 4.340 -0.000 0.000 0.209 672 R C 0.101 176.488 176.300 0.146 0.000 1.078 672 R CA 0.484 56.644 56.100 0.101 0.000 1.028 672 R CB 0.299 30.661 30.300 0.103 0.000 0.939 672 R HN 0.044 nan 8.270 nan 0.000 0.463 673 A N 0.070 123.018 122.820 0.213 0.000 2.371 673 A HA 0.270 4.590 4.320 -0.000 0.000 0.257 673 A C 0.358 178.030 177.584 0.146 0.000 1.089 673 A CA -0.429 51.697 52.037 0.149 0.000 0.794 673 A CB 0.708 19.734 19.000 0.044 0.000 1.029 673 A HN 0.552 nan 8.150 nan 0.000 0.488 674 C N 0.260 119.605 119.300 0.075 0.000 3.491 674 C HA 0.374 4.834 4.460 -0.000 0.000 0.298 674 C C 0.414 175.335 174.990 -0.115 0.000 1.424 674 C CA -0.343 58.672 59.018 -0.005 0.000 1.772 674 C CB -1.250 26.405 27.740 -0.142 0.000 2.447 674 C HN 0.827 nan 8.230 nan 0.000 0.670 675 C N 1.639 120.843 119.300 -0.160 0.000 2.522 675 C HA 0.714 5.174 4.460 -0.000 0.000 0.344 675 C C -1.409 173.387 174.990 -0.323 0.000 1.104 675 C CA -0.532 58.401 59.018 -0.141 0.000 1.317 675 C CB -0.874 26.856 27.740 -0.017 0.000 1.896 675 C HN 0.429 nan 8.230 nan 0.000 0.443 676 F N 4.761 124.717 119.950 0.010 0.000 2.449 676 F HA 0.720 5.247 4.527 -0.000 0.000 0.342 676 F C 0.591 176.368 175.800 -0.038 0.000 1.127 676 F CA -0.050 57.940 58.000 -0.017 0.000 0.975 676 F CB 1.705 40.635 39.000 -0.117 0.000 1.146 676 F HN 0.815 nan 8.300 nan 0.000 0.444 677 A N 2.692 125.563 122.820 0.085 0.000 2.386 677 A HA 0.778 5.098 4.320 -0.000 0.000 0.308 677 A C 0.452 178.049 177.584 0.023 0.000 1.128 677 A CA -1.162 50.901 52.037 0.042 0.000 0.789 677 A CB 1.038 20.051 19.000 0.021 0.000 1.325 677 A HN 0.865 nan 8.150 nan 0.000 0.437 678 R N -1.110 119.399 120.500 0.015 0.000 3.322 678 R HA -0.153 4.187 4.340 -0.000 0.000 0.253 678 R C -0.219 176.081 176.300 -0.001 0.000 0.987 678 R CA 0.651 56.758 56.100 0.011 0.000 0.666 678 R CB -2.109 28.203 30.300 0.020 0.000 1.072 678 R HN 1.551 nan 8.270 nan 0.000 0.447 679 V N -2.477 117.436 119.914 -0.003 0.000 3.096 679 V HA 0.636 4.756 4.120 -0.000 0.000 0.319 679 V C 0.489 176.668 176.094 0.140 0.000 1.082 679 V CA -0.619 61.692 62.300 0.018 0.000 1.022 679 V CB 1.906 33.708 31.823 -0.036 0.000 1.103 679 V HN 0.315 nan 8.190 nan 0.000 0.455 680 E N 1.724 122.147 120.200 0.372 0.000 2.243 680 E HA 0.397 4.747 4.350 -0.000 0.000 0.260 680 E C -2.108 174.498 176.600 0.010 0.000 0.985 680 E CA -1.919 54.536 56.400 0.091 0.000 0.858 680 E CB 1.648 31.334 29.700 -0.023 0.000 1.210 680 E HN 0.474 nan 8.360 nan 0.000 0.411 681 P HA -0.251 nan 4.420 nan 0.000 0.216 681 P C 1.397 178.643 177.300 -0.090 0.000 1.157 681 P CA 1.863 64.914 63.100 -0.082 0.000 0.880 681 P CB 0.055 31.692 31.700 -0.105 0.000 0.791 682 S N -2.294 113.324 115.700 -0.138 0.000 2.447 682 S HA -0.194 4.275 4.470 -0.000 0.000 0.233 682 S C 1.734 176.244 174.600 -0.150 0.000 1.006 682 S CA 1.009 59.116 58.200 -0.156 0.000 0.957 682 S CB -1.629 61.461 63.200 -0.185 0.000 0.773 682 S HN 0.289 nan 8.310 nan 0.000 0.507 683 H N 1.614 120.632 119.070 -0.088 0.000 2.389 683 H HA 0.099 4.655 4.556 -0.000 0.000 0.299 683 H C 2.249 177.451 175.328 -0.209 0.000 1.081 683 H CA 1.587 57.556 56.048 -0.130 0.000 1.345 683 H CB 0.053 29.737 29.762 -0.130 0.000 1.393 683 H HN 0.411 nan 8.280 nan 0.000 0.520 684 K N 0.311 120.687 120.400 -0.039 0.000 2.057 684 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 684 K C 2.428 178.960 176.600 -0.112 0.000 1.050 684 K CA 1.513 57.740 56.287 -0.100 0.000 0.935 684 K CB -0.024 32.437 32.500 -0.066 0.000 0.715 684 K HN 0.313 nan 8.250 nan 0.000 0.439 685 S N 1.494 117.137 115.700 -0.096 0.000 2.402 685 S HA -0.124 4.345 4.470 -0.000 0.000 0.229 685 S C 2.009 176.532 174.600 -0.128 0.000 1.021 685 S CA 0.956 59.097 58.200 -0.099 0.000 0.974 685 S CB -0.100 63.046 63.200 -0.090 0.000 0.800 685 S HN 0.218 nan 8.310 nan 0.000 0.484 686 K N 1.118 121.433 120.400 -0.142 0.000 2.097 686 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 686 K C 2.021 178.499 176.600 -0.203 0.000 1.050 686 K CA 1.312 57.476 56.287 -0.205 0.000 0.938 686 K CB -0.299 32.138 32.500 -0.105 0.000 0.718 686 K HN 0.433 nan 8.250 nan 0.000 0.442 687 I N 0.419 120.889 120.570 -0.168 0.000 2.252 687 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 687 I C 2.148 178.228 176.117 -0.061 0.000 1.102 687 I CA 0.756 61.959 61.300 -0.161 0.000 1.385 687 I CB -0.095 37.610 38.000 -0.493 0.000 1.064 687 I HN -0.030 nan 8.210 nan 0.000 0.414 688 V N 0.852 120.713 119.914 -0.088 0.000 2.295 688 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 688 V C 2.505 178.589 176.094 -0.016 0.000 1.049 688 V CA 2.258 64.533 62.300 -0.042 0.000 1.024 688 V CB -0.630 31.161 31.823 -0.053 0.000 0.648 688 V HN 0.513 nan 8.190 nan 0.000 0.447 689 E N -0.711 119.447 120.200 -0.069 0.000 2.058 689 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 689 E C 2.202 178.800 176.600 -0.003 0.000 0.997 689 E CA 1.866 58.216 56.400 -0.082 0.000 0.801 689 E CB -0.372 29.218 29.700 -0.183 0.000 0.746 689 E HN 0.725 nan 8.360 nan 0.000 0.450 690 Y N -0.183 120.139 120.300 0.036 0.000 2.151 690 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 690 Y C 2.334 178.335 175.900 0.169 0.000 1.166 690 Y CA 0.437 58.588 58.100 0.084 0.000 1.163 690 Y CB -0.009 38.533 38.460 0.136 0.000 0.974 690 Y HN 0.182 nan 8.280 nan 0.000 0.511 691 L N 0.233 121.640 121.223 0.308 0.000 2.079 691 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 691 L C 2.121 179.128 176.870 0.229 0.000 1.081 691 L CA 1.774 56.770 54.840 0.261 0.000 0.752 691 L CB -0.973 41.161 42.059 0.125 0.000 0.896 691 L HN 0.322 nan 8.230 nan 0.000 0.433 692 Q N -1.536 118.347 119.800 0.138 0.000 2.311 692 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 692 Q C 2.106 178.151 176.000 0.075 0.000 0.954 692 Q CA 1.164 57.017 55.803 0.084 0.000 0.885 692 Q CB -0.076 28.681 28.738 0.030 0.000 0.963 692 Q HN 0.632 nan 8.270 nan 0.000 0.471 693 S N -0.755 114.989 115.700 0.073 0.000 2.555 693 S HA -0.098 4.372 4.470 -0.000 0.000 0.230 693 S C 0.948 175.471 174.600 -0.128 0.000 0.978 693 S CA 0.487 58.663 58.200 -0.040 0.000 0.934 693 S CB -0.137 63.023 63.200 -0.067 0.000 0.766 693 S HN 0.387 nan 8.310 nan 0.000 0.533 694 Y N 1.416 121.745 120.300 0.048 0.000 2.571 694 Y HA 0.290 4.840 4.550 -0.000 0.000 0.275 694 Y C -0.077 175.835 175.900 0.020 0.000 1.179 694 Y CA -0.683 57.437 58.100 0.033 0.000 1.242 694 Y CB -0.116 38.365 38.460 0.035 0.000 1.126 694 Y HN 0.152 nan 8.280 nan 0.000 0.524 695 D N 0.924 121.398 120.400 0.122 0.000 2.723 695 D HA -0.211 4.429 4.640 -0.000 0.000 0.236 695 D C -0.460 175.881 176.300 0.068 0.000 1.138 695 D CA 0.884 54.927 54.000 0.072 0.000 0.676 695 D CB -0.906 39.924 40.800 0.051 0.000 1.069 695 D HN 0.497 nan 8.370 nan 0.000 0.430 696 E N -0.325 119.924 120.200 0.083 0.000 2.204 696 E HA 0.437 4.787 4.350 -0.000 0.000 0.276 696 E C 0.082 176.698 176.600 0.025 0.000 0.974 696 E CA -1.089 55.341 56.400 0.050 0.000 0.815 696 E CB 1.253 30.988 29.700 0.059 0.000 1.119 696 E HN -0.006 nan 8.360 nan 0.000 0.393 697 I N 2.902 123.473 120.570 0.001 0.000 2.363 697 I HA 0.021 4.191 4.170 -0.000 0.000 0.292 697 I C 0.455 176.565 176.117 -0.012 0.000 1.075 697 I CA 0.183 61.474 61.300 -0.015 0.000 1.333 697 I CB 0.336 38.313 38.000 -0.038 0.000 1.415 697 I HN 0.349 nan 8.210 nan 0.000 0.502 698 T N 3.809 118.359 114.554 -0.007 0.000 2.824 698 T HA 0.901 5.251 4.350 -0.000 0.000 0.280 698 T C -0.244 174.445 174.700 -0.019 0.000 0.995 698 T CA -0.836 61.260 62.100 -0.007 0.000 1.009 698 T CB 1.616 70.487 68.868 0.005 0.000 0.955 698 T HN 0.589 nan 8.240 nan 0.000 0.452 699 A N 3.529 126.336 122.820 -0.022 0.000 2.320 699 A HA 0.852 5.172 4.320 -0.000 0.000 0.334 699 A C -0.378 177.193 177.584 -0.021 0.000 1.147 699 A CA -1.039 50.978 52.037 -0.032 0.000 0.820 699 A CB 1.279 20.249 19.000 -0.050 0.000 1.218 699 A HN 0.972 nan 8.150 nan 0.000 0.482 700 M N 1.465 121.050 119.600 -0.026 0.000 2.327 700 M HA 0.580 5.060 4.480 -0.000 0.000 0.298 700 M C -0.699 175.593 176.300 -0.013 0.000 1.065 700 M CA 0.010 55.302 55.300 -0.013 0.000 0.916 700 M CB 2.085 34.673 32.600 -0.020 0.000 1.630 700 M HN 0.680 nan 8.290 nan 0.000 0.442 701 T N 3.422 117.986 114.554 0.016 0.000 2.841 701 T HA 0.933 5.283 4.350 -0.000 0.000 0.285 701 T C -0.629 174.105 174.700 0.056 0.000 0.991 701 T CA 0.118 62.232 62.100 0.023 0.000 0.966 701 T CB 0.724 69.601 68.868 0.015 0.000 0.962 701 T HN 1.049 nan 8.240 nan 0.000 0.438 702 G N 2.519 111.339 108.800 0.033 0.000 2.606 702 G HA2 0.522 4.481 3.960 -0.000 0.000 0.300 702 G HA3 0.522 4.481 3.960 -0.000 0.000 0.300 702 G C -0.658 174.254 174.900 0.021 0.000 1.360 702 G CA -0.222 44.897 45.100 0.031 0.000 0.783 702 G HN 0.592 nan 8.290 nan 0.000 0.484 703 D N -1.535 118.875 120.400 0.016 0.000 2.486 703 D HA 0.216 4.856 4.640 -0.000 0.000 0.243 703 D C 0.994 177.300 176.300 0.009 0.000 1.146 703 D CA 0.639 54.648 54.000 0.015 0.000 0.821 703 D CB 0.407 41.220 40.800 0.021 0.000 1.201 703 D HN 0.752 nan 8.370 nan 0.000 0.525 704 G N 0.512 109.310 108.800 -0.004 0.000 2.488 704 G HA2 0.415 4.375 3.960 -0.000 0.000 0.318 704 G HA3 0.415 4.375 3.960 -0.000 0.000 0.318 704 G C 1.017 175.894 174.900 -0.039 0.000 1.188 704 G CA -0.404 44.684 45.100 -0.020 0.000 0.944 704 G HN -0.068 nan 8.290 nan 0.000 0.495 705 V N 1.268 121.135 119.914 -0.078 0.000 2.515 705 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 705 V C 2.656 178.686 176.094 -0.108 0.000 1.058 705 V CA 1.853 64.082 62.300 -0.118 0.000 1.064 705 V CB -0.548 31.107 31.823 -0.280 0.000 0.675 705 V HN 0.860 nan 8.190 nan 0.000 0.461 706 N N -0.205 118.432 118.700 -0.104 0.000 2.520 706 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 706 N C 1.004 176.475 175.510 -0.065 0.000 1.068 706 N CA 1.212 54.207 53.050 -0.091 0.000 0.911 706 N CB -0.381 38.053 38.487 -0.088 0.000 0.961 706 N HN 0.446 nan 8.380 nan 0.000 0.446 707 D N 0.455 120.825 120.400 -0.051 0.000 2.350 707 D HA 0.174 4.814 4.640 -0.000 0.000 0.213 707 D C 1.690 177.967 176.300 -0.037 0.000 1.031 707 D CA 0.300 54.278 54.000 -0.037 0.000 0.861 707 D CB 0.271 41.058 40.800 -0.022 0.000 0.926 707 D HN 0.351 nan 8.370 nan 0.000 0.520 708 A N 2.153 124.948 122.820 -0.042 0.000 1.865 708 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 708 A C -0.187 177.374 177.584 -0.039 0.000 1.191 708 A CA 1.350 53.366 52.037 -0.035 0.000 0.623 708 A CB -1.475 17.504 19.000 -0.034 0.000 0.826 708 A HN 0.147 nan 8.150 nan 0.000 0.444 709 P HA -0.152 nan 4.420 nan 0.000 0.215 709 P C 1.789 179.059 177.300 -0.051 0.000 1.157 709 P CA 2.117 65.186 63.100 -0.051 0.000 0.868 709 P CB -0.134 31.529 31.700 -0.063 0.000 0.788 710 A N -0.838 121.951 122.820 -0.052 0.000 1.898 710 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 710 A C 2.225 179.785 177.584 -0.041 0.000 1.181 710 A CA 1.410 53.416 52.037 -0.052 0.000 0.620 710 A CB -1.675 17.294 19.000 -0.052 0.000 0.819 710 A HN 0.095 nan 8.150 nan 0.000 0.442 711 L N -1.023 120.179 121.223 -0.035 0.000 2.042 711 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 711 L C 2.621 179.473 176.870 -0.030 0.000 1.076 711 L CA 1.835 56.657 54.840 -0.029 0.000 0.749 711 L CB -0.367 41.677 42.059 -0.025 0.000 0.893 711 L HN 0.286 nan 8.230 nan 0.000 0.432 712 K N 0.613 120.995 120.400 -0.031 0.000 2.002 712 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 712 K C 2.104 178.685 176.600 -0.032 0.000 1.048 712 K CA 1.561 57.830 56.287 -0.029 0.000 0.930 712 K CB -0.125 32.358 32.500 -0.029 0.000 0.714 712 K HN -0.069 nan 8.250 nan 0.000 0.438 713 K N 0.263 120.640 120.400 -0.038 0.000 2.057 713 K HA 0.034 4.354 4.320 -0.000 0.000 0.207 713 K C 0.125 176.704 176.600 -0.035 0.000 1.049 713 K CA 0.976 57.239 56.287 -0.040 0.000 0.931 713 K CB -0.460 32.009 32.500 -0.051 0.000 0.714 713 K HN 0.248 nan 8.250 nan 0.000 0.440 714 A N 0.911 123.710 122.820 -0.034 0.000 2.547 714 A HA -0.033 4.287 4.320 -0.000 0.000 0.233 714 A C 0.790 178.356 177.584 -0.029 0.000 1.067 714 A CA 0.109 52.128 52.037 -0.029 0.000 0.763 714 A CB 0.132 19.114 19.000 -0.029 0.000 1.007 714 A HN 0.429 nan 8.150 nan 0.000 0.506 715 E N 0.116 120.300 120.200 -0.027 0.000 2.110 715 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 715 E C -0.201 176.379 176.600 -0.033 0.000 0.988 715 E CA 1.364 57.747 56.400 -0.029 0.000 0.804 715 E CB -0.125 29.557 29.700 -0.031 0.000 0.745 715 E HN 0.631 nan 8.360 nan 0.000 0.458 716 I N 0.204 120.752 120.570 -0.036 0.000 2.495 716 I HA 0.319 4.489 4.170 -0.000 0.000 0.277 716 I C 0.093 176.184 176.117 -0.042 0.000 1.045 716 I CA -0.797 60.478 61.300 -0.041 0.000 1.135 716 I CB 1.906 39.877 38.000 -0.049 0.000 1.241 716 I HN -0.128 nan 8.210 nan 0.000 0.469 717 G N 6.847 115.624 108.800 -0.038 0.000 2.355 717 G HA2 0.686 4.646 3.960 -0.000 0.000 0.276 717 G HA3 0.686 4.646 3.960 -0.000 0.000 0.276 717 G C -0.430 174.445 174.900 -0.041 0.000 1.198 717 G CA -0.272 44.806 45.100 -0.036 0.000 0.876 717 G HN 0.530 nan 8.290 nan 0.000 0.478 718 I N 2.160 122.703 120.570 -0.045 0.000 2.411 718 I HA 0.451 4.621 4.170 -0.000 0.000 0.284 718 I C 0.490 176.585 176.117 -0.037 0.000 1.012 718 I CA -0.704 60.563 61.300 -0.054 0.000 1.119 718 I CB 1.847 39.793 38.000 -0.091 0.000 1.261 718 I HN 0.537 nan 8.210 nan 0.000 0.448 719 A N 7.472 130.275 122.820 -0.028 0.000 2.295 719 A HA 0.802 5.122 4.320 -0.000 0.000 0.318 719 A C -0.056 177.523 177.584 -0.008 0.000 1.134 719 A CA -0.671 51.359 52.037 -0.012 0.000 0.827 719 A CB 0.871 19.866 19.000 -0.009 0.000 1.136 719 A HN 0.611 nan 8.150 nan 0.000 0.493 720 M N 2.008 121.611 119.600 0.006 0.000 2.185 720 M HA 0.163 4.643 4.480 -0.000 0.000 0.357 720 M C 1.601 177.905 176.300 0.007 0.000 1.260 720 M CA 0.104 55.412 55.300 0.013 0.000 1.124 720 M CB 0.482 33.098 32.600 0.027 0.000 1.600 720 M HN 0.949 nan 8.290 nan 0.000 0.467 721 G N 1.928 110.730 108.800 0.003 0.000 2.469 721 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 721 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 721 G C 1.027 175.929 174.900 0.003 0.000 1.136 721 G CA 1.234 46.334 45.100 -0.000 0.000 0.759 721 G HN 0.742 nan 8.290 nan 0.000 0.562 722 S N 0.040 115.744 115.700 0.008 0.000 2.526 722 S HA 0.589 5.059 4.470 -0.000 0.000 0.247 722 S C 0.755 175.364 174.600 0.015 0.000 1.076 722 S CA 0.028 58.233 58.200 0.009 0.000 1.105 722 S CB 0.457 63.662 63.200 0.009 0.000 0.793 722 S HN 0.498 nan 8.310 nan 0.000 0.458 723 G N 1.047 109.857 108.800 0.017 0.000 2.887 723 G HA2 0.588 4.548 3.960 -0.000 0.000 0.277 723 G HA3 0.588 4.548 3.960 -0.000 0.000 0.277 723 G C -0.087 174.830 174.900 0.029 0.000 1.346 723 G CA -0.387 44.727 45.100 0.023 0.000 1.058 723 G HN 0.484 nan 8.290 nan 0.000 0.535 724 T N -2.229 112.350 114.554 0.040 0.000 2.906 724 T HA 0.359 4.709 4.350 -0.000 0.000 0.320 724 T C 1.655 176.386 174.700 0.051 0.000 1.088 724 T CA 0.554 62.692 62.100 0.063 0.000 1.120 724 T CB 1.239 70.161 68.868 0.090 0.000 1.000 724 T HN 1.005 nan 8.240 nan 0.000 0.550 725 A N 2.301 125.157 122.820 0.061 0.000 1.930 725 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 725 A C 2.428 180.041 177.584 0.048 0.000 1.175 725 A CA 1.418 53.479 52.037 0.040 0.000 0.627 725 A CB -1.077 17.941 19.000 0.029 0.000 0.815 725 A HN 0.769 nan 8.150 nan 0.000 0.443 726 V N 0.008 119.972 119.914 0.084 0.000 2.255 726 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 726 V C 3.093 179.205 176.094 0.029 0.000 1.051 726 V CA 2.139 64.480 62.300 0.068 0.000 1.018 726 V CB -1.346 30.530 31.823 0.089 0.000 0.641 726 V HN 0.626 nan 8.190 nan 0.000 0.445 727 A N -0.397 122.437 122.820 0.023 0.000 1.892 727 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 727 A C 2.283 179.868 177.584 0.002 0.000 1.188 727 A CA 2.331 54.372 52.037 0.006 0.000 0.631 727 A CB -0.523 18.480 19.000 0.006 0.000 0.822 727 A HN 0.575 nan 8.150 nan 0.000 0.447 728 K N -0.749 119.655 120.400 0.007 0.000 2.026 728 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 728 K C 2.071 178.667 176.600 -0.006 0.000 1.048 728 K CA 1.832 58.118 56.287 -0.002 0.000 0.929 728 K CB -0.460 32.040 32.500 -0.000 0.000 0.713 728 K HN 0.726 nan 8.250 nan 0.000 0.439 729 T N -1.782 112.771 114.554 -0.000 0.000 3.163 729 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 729 T C 1.498 176.193 174.700 -0.007 0.000 1.156 729 T CA 0.743 62.840 62.100 -0.004 0.000 1.072 729 T CB 0.176 69.045 68.868 0.002 0.000 0.937 729 T HN 0.145 nan 8.240 nan 0.000 0.528 730 A N 0.444 123.259 122.820 -0.008 0.000 2.390 730 A HA 0.593 4.913 4.320 -0.000 0.000 0.232 730 A C 1.199 178.772 177.584 -0.018 0.000 1.233 730 A CA -0.481 51.549 52.037 -0.013 0.000 0.907 730 A CB 0.343 19.335 19.000 -0.012 0.000 0.967 730 A HN 0.435 nan 8.150 nan 0.000 0.512 731 S N -0.257 115.431 115.700 -0.019 0.000 2.693 731 S HA 0.390 4.860 4.470 -0.000 0.000 0.276 731 S C 0.475 175.058 174.600 -0.028 0.000 1.192 731 S CA -0.361 57.824 58.200 -0.025 0.000 0.994 731 S CB 1.267 64.453 63.200 -0.025 0.000 1.012 731 S HN 0.317 nan 8.310 nan 0.000 0.550 732 E N 0.137 120.317 120.200 -0.032 0.000 2.364 732 E HA 0.305 4.654 4.350 -0.000 0.000 0.196 732 E C -0.172 176.406 176.600 -0.037 0.000 0.990 732 E CA 0.742 57.122 56.400 -0.034 0.000 0.886 732 E CB 0.216 29.895 29.700 -0.035 0.000 0.866 732 E HN 0.463 nan 8.360 nan 0.000 0.493 733 M N -0.384 119.192 119.600 -0.039 0.000 2.531 733 M HA 0.428 4.908 4.480 -0.000 0.000 0.286 733 M C -1.522 174.755 176.300 -0.040 0.000 1.232 733 M CA -0.880 54.395 55.300 -0.042 0.000 0.877 733 M CB 3.238 35.807 32.600 -0.051 0.000 1.726 733 M HN -0.376 nan 8.290 nan 0.000 0.463 734 V N 2.978 122.870 119.914 -0.037 0.000 2.531 734 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 734 V C -0.547 175.528 176.094 -0.033 0.000 1.034 734 V CA -0.684 61.597 62.300 -0.031 0.000 0.865 734 V CB 1.991 33.800 31.823 -0.023 0.000 0.995 734 V HN 0.691 nan 8.190 nan 0.000 0.424 735 L N 4.189 125.392 121.223 -0.032 0.000 2.387 735 L HA 0.330 4.670 4.340 -0.000 0.000 0.267 735 L C 1.810 178.671 176.870 -0.015 0.000 1.197 735 L CA -0.223 54.598 54.840 -0.031 0.000 1.070 735 L CB 0.360 42.397 42.059 -0.037 0.000 1.349 735 L HN 0.861 nan 8.230 nan 0.000 0.422 736 A N 1.350 124.161 122.820 -0.015 0.000 2.042 736 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 736 A C 1.920 179.502 177.584 -0.004 0.000 1.167 736 A CA 2.293 54.324 52.037 -0.009 0.000 0.649 736 A CB -0.323 18.671 19.000 -0.010 0.000 0.809 736 A HN 0.736 nan 8.150 nan 0.000 0.457 737 D N -1.764 118.634 120.400 -0.003 0.000 2.333 737 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 737 D C 0.049 176.356 176.300 0.012 0.000 0.984 737 D CA 0.768 54.770 54.000 0.003 0.000 0.873 737 D CB -0.037 40.764 40.800 0.002 0.000 0.935 737 D HN 0.333 nan 8.370 nan 0.000 0.521 738 D N -0.256 120.152 120.400 0.013 0.000 3.076 738 D HA -0.205 4.435 4.640 -0.000 0.000 0.218 738 D C -0.728 175.604 176.300 0.054 0.000 1.156 738 D CA 0.590 54.607 54.000 0.030 0.000 0.921 738 D CB -1.898 38.918 40.800 0.026 0.000 1.113 738 D HN 0.522 nan 8.370 nan 0.000 0.418 739 N N -0.638 118.090 118.700 0.047 0.000 2.430 739 N HA 0.271 5.011 4.740 -0.000 0.000 0.292 739 N C 0.736 176.308 175.510 0.104 0.000 1.051 739 N CA -0.682 52.415 53.050 0.079 0.000 0.917 739 N CB 0.747 39.263 38.487 0.049 0.000 1.164 739 N HN -0.186 nan 8.380 nan 0.000 0.484 740 F N 1.604 121.543 119.950 -0.018 0.000 2.293 740 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 740 F C 2.542 178.332 175.800 -0.017 0.000 1.086 740 F CA 1.122 59.110 58.000 -0.020 0.000 1.375 740 F CB -0.084 38.902 39.000 -0.023 0.000 1.045 740 F HN 0.517 nan 8.300 nan 0.000 0.516 741 S N -1.491 114.280 115.700 0.118 0.000 2.370 741 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 741 S C 2.020 176.611 174.600 -0.016 0.000 1.033 741 S CA 1.814 60.043 58.200 0.049 0.000 1.011 741 S CB -1.324 61.903 63.200 0.044 0.000 0.852 741 S HN 0.378 nan 8.310 nan 0.000 0.457 742 T N 2.847 117.382 114.554 -0.031 0.000 2.737 742 T HA -0.006 4.344 4.350 -0.000 0.000 0.269 742 T C 1.679 176.322 174.700 -0.096 0.000 1.040 742 T CA 1.565 63.633 62.100 -0.053 0.000 1.142 742 T CB -0.601 68.237 68.868 -0.049 0.000 0.861 742 T HN 0.401 nan 8.240 nan 0.000 0.456 743 I N 0.600 121.066 120.570 -0.173 0.000 2.163 743 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 743 I C 2.471 178.500 176.117 -0.148 0.000 1.085 743 I CA 1.001 62.164 61.300 -0.228 0.000 1.347 743 I CB -0.444 37.279 38.000 -0.462 0.000 1.044 743 I HN 0.103 nan 8.210 nan 0.000 0.408 744 V N 0.974 120.821 119.914 -0.112 0.000 2.287 744 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 744 V C 2.648 178.716 176.094 -0.044 0.000 1.053 744 V CA 2.152 64.418 62.300 -0.057 0.000 1.027 744 V CB -1.016 30.796 31.823 -0.019 0.000 0.646 744 V HN 0.534 nan 8.190 nan 0.000 0.447 745 A N -0.465 122.332 122.820 -0.039 0.000 2.070 745 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 745 A C 2.304 179.868 177.584 -0.033 0.000 1.159 745 A CA 1.802 53.821 52.037 -0.029 0.000 0.656 745 A CB -0.521 18.465 19.000 -0.023 0.000 0.800 745 A HN 0.583 nan 8.150 nan 0.000 0.453 746 A N -0.792 121.999 122.820 -0.049 0.000 1.970 746 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 746 A C 2.097 179.655 177.584 -0.044 0.000 1.170 746 A CA 1.338 53.346 52.037 -0.048 0.000 0.645 746 A CB -0.491 18.470 19.000 -0.066 0.000 0.816 746 A HN 0.307 nan 8.150 nan 0.000 0.447 747 V N 0.022 119.907 119.914 -0.050 0.000 2.453 747 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 747 V C 2.462 178.541 176.094 -0.026 0.000 1.048 747 V CA 2.101 64.376 62.300 -0.042 0.000 1.049 747 V CB -0.540 31.255 31.823 -0.047 0.000 0.672 747 V HN 0.766 nan 8.190 nan 0.000 0.457 748 E N 0.359 120.546 120.200 -0.021 0.000 2.051 748 E HA -0.304 4.046 4.350 -0.000 0.000 0.192 748 E C 2.185 178.782 176.600 -0.005 0.000 0.991 748 E CA 1.640 58.034 56.400 -0.011 0.000 0.799 748 E CB -0.029 29.665 29.700 -0.010 0.000 0.748 748 E HN 0.593 nan 8.360 nan 0.000 0.449 749 E N -0.227 119.968 120.200 -0.008 0.000 2.153 749 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 749 E C 1.806 178.410 176.600 0.007 0.000 0.988 749 E CA 1.497 57.896 56.400 -0.001 0.000 0.811 749 E CB -0.557 29.140 29.700 -0.006 0.000 0.746 749 E HN 0.369 nan 8.360 nan 0.000 0.466 750 G N -0.002 108.798 108.800 -0.001 0.000 2.408 750 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 750 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 750 G C 1.627 176.545 174.900 0.029 0.000 1.150 750 G CA 0.642 45.745 45.100 0.006 0.000 0.776 750 G HN 0.178 nan 8.290 nan 0.000 0.542 751 R N 0.370 120.883 120.500 0.022 0.000 2.073 751 R HA 0.126 4.466 4.340 -0.000 0.000 0.229 751 R C 3.048 179.386 176.300 0.064 0.000 1.120 751 R CA 1.003 57.130 56.100 0.045 0.000 0.967 751 R CB -0.327 29.985 30.300 0.021 0.000 0.862 751 R HN 0.328 nan 8.270 nan 0.000 0.436 752 A N 1.734 124.574 122.820 0.033 0.000 1.858 752 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 752 A C 2.094 179.686 177.584 0.013 0.000 1.190 752 A CA 1.223 53.271 52.037 0.018 0.000 0.617 752 A CB -0.464 18.542 19.000 0.011 0.000 0.827 752 A HN 0.084 nan 8.150 nan 0.000 0.443 753 I N -1.413 119.173 120.570 0.027 0.000 2.091 753 I HA -0.277 3.893 4.170 -0.000 0.000 0.239 753 I C 2.454 178.569 176.117 -0.002 0.000 1.061 753 I CA 2.026 63.338 61.300 0.020 0.000 1.317 753 I CB -1.679 36.345 38.000 0.041 0.000 1.031 753 I HN 0.562 nan 8.210 nan 0.000 0.401 754 Y N 2.692 122.947 120.300 -0.074 0.000 2.193 754 Y HA -0.284 4.266 4.550 -0.000 0.000 0.285 754 Y C 2.468 178.285 175.900 -0.138 0.000 1.166 754 Y CA 1.795 59.832 58.100 -0.105 0.000 1.181 754 Y CB -0.488 37.925 38.460 -0.077 0.000 0.976 754 Y HN 0.259 nan 8.280 nan 0.000 0.520 755 N N 0.578 119.193 118.700 -0.141 0.000 2.104 755 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 755 N C 1.326 176.658 175.510 -0.296 0.000 1.024 755 N CA 1.662 54.584 53.050 -0.213 0.000 0.853 755 N CB -0.565 37.878 38.487 -0.073 0.000 1.008 755 N HN 0.452 nan 8.380 nan 0.000 0.424 756 N N 0.643 119.199 118.700 -0.240 0.000 2.216 756 N HA 0.044 4.784 4.740 -0.000 0.000 0.183 756 N C 1.767 176.941 175.510 -0.560 0.000 1.017 756 N CA 0.640 53.542 53.050 -0.247 0.000 0.861 756 N CB -0.235 38.189 38.487 -0.105 0.000 0.986 756 N HN 0.296 nan 8.380 nan 0.000 0.428 757 M N 0.392 119.568 119.600 -0.707 0.000 2.279 757 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 757 M C 1.995 177.583 176.300 -1.187 0.000 1.062 757 M CA 1.144 55.645 55.300 -1.332 0.000 1.099 757 M CB -0.120 32.100 32.600 -0.633 0.000 1.394 757 M HN 0.078 nan 8.290 nan 0.000 0.426 758 K N 0.033 119.913 120.400 -0.866 0.000 2.057 758 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 758 K C 2.170 178.513 176.600 -0.429 0.000 1.049 758 K CA 1.253 57.143 56.287 -0.662 0.000 0.931 758 K CB 0.157 32.286 32.500 -0.618 0.000 0.714 758 K HN 0.255 nan 8.250 nan 0.000 0.440 759 Q N 0.035 119.608 119.800 -0.379 0.000 1.993 759 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 759 Q C 2.052 178.017 176.000 -0.057 0.000 0.984 759 Q CA 1.652 57.355 55.803 -0.166 0.000 0.837 759 Q CB -0.538 28.133 28.738 -0.112 0.000 0.902 759 Q HN 0.514 nan 8.270 nan 0.000 0.423 760 F N -0.912 119.015 119.950 -0.039 0.000 2.699 760 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 760 F C 1.569 177.376 175.800 0.013 0.000 1.154 760 F CA 0.099 58.120 58.000 0.034 0.000 1.457 760 F CB -0.379 38.613 39.000 -0.014 0.000 1.106 760 F HN -0.066 nan 8.300 nan 0.000 0.585 761 I N 0.585 121.111 120.570 -0.073 0.000 2.703 761 I HA -0.018 4.152 4.170 -0.000 0.000 0.259 761 I C 2.293 178.381 176.117 -0.049 0.000 1.151 761 I CA 0.684 61.956 61.300 -0.047 0.000 1.470 761 I CB -0.642 37.231 38.000 -0.212 0.000 1.112 761 I HN 0.214 nan 8.210 nan 0.000 0.437 762 R N -0.453 120.041 120.500 -0.010 0.000 2.066 762 R HA -0.155 4.185 4.340 -0.000 0.000 0.224 762 R C 2.321 178.640 176.300 0.031 0.000 1.122 762 R CA 1.017 57.165 56.100 0.080 0.000 0.974 762 R CB -0.602 29.838 30.300 0.234 0.000 0.871 762 R HN 0.175 nan 8.270 nan 0.000 0.435 763 Y N 1.876 122.147 120.300 -0.047 0.000 2.040 763 Y HA -0.300 4.250 4.550 -0.000 0.000 0.275 763 Y C 1.835 177.674 175.900 -0.102 0.000 1.171 763 Y CA 1.616 59.660 58.100 -0.093 0.000 1.123 763 Y CB -0.577 37.871 38.460 -0.020 0.000 0.963 763 Y HN -0.101 nan 8.280 nan 0.000 0.493 764 L N 0.080 121.134 121.223 -0.282 0.000 1.970 764 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 764 L C 2.529 179.241 176.870 -0.264 0.000 1.071 764 L CA 1.519 56.146 54.840 -0.354 0.000 0.751 764 L CB -1.197 40.788 42.059 -0.123 0.000 0.889 764 L HN 0.293 nan 8.230 nan 0.000 0.432 765 I N -1.147 119.311 120.570 -0.186 0.000 2.264 765 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 765 I C 2.713 178.725 176.117 -0.175 0.000 1.111 765 I CA 1.540 62.735 61.300 -0.176 0.000 1.382 765 I CB -1.419 36.411 38.000 -0.283 0.000 1.060 765 I HN 0.332 nan 8.210 nan 0.000 0.418 766 S N 0.130 115.679 115.700 -0.252 0.000 2.353 766 S HA -0.220 4.250 4.470 -0.000 0.000 0.222 766 S C 2.398 176.826 174.600 -0.287 0.000 1.035 766 S CA 2.165 60.158 58.200 -0.345 0.000 1.025 766 S CB -0.303 62.538 63.200 -0.598 0.000 0.902 766 S HN 0.509 nan 8.310 nan 0.000 0.440 767 S N 1.524 117.021 115.700 -0.338 0.000 2.359 767 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 767 S C 1.671 176.169 174.600 -0.171 0.000 1.038 767 S CA 2.171 60.202 58.200 -0.283 0.000 1.051 767 S CB -1.087 61.879 63.200 -0.391 0.000 0.944 767 S HN 0.721 nan 8.310 nan 0.000 0.433 768 N N 0.485 119.100 118.700 -0.142 0.000 2.334 768 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 768 N C 1.484 176.965 175.510 -0.047 0.000 1.016 768 N CA 1.259 54.271 53.050 -0.064 0.000 0.879 768 N CB -0.368 38.113 38.487 -0.009 0.000 0.965 768 N HN 0.312 nan 8.380 nan 0.000 0.438 769 V N -0.115 119.754 119.914 -0.075 0.000 2.255 769 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 769 V C 2.446 178.504 176.094 -0.060 0.000 1.038 769 V CA 2.053 64.313 62.300 -0.067 0.000 1.008 769 V CB -1.285 30.477 31.823 -0.102 0.000 0.645 769 V HN 0.389 nan 8.190 nan 0.000 0.449 770 G N -0.683 108.073 108.800 -0.073 0.000 2.450 770 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 770 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 770 G C 1.472 176.351 174.900 -0.034 0.000 1.130 770 G CA 0.998 46.068 45.100 -0.051 0.000 0.760 770 G HN 0.584 nan 8.290 nan 0.000 0.557 771 E N -0.322 119.857 120.200 -0.035 0.000 2.047 771 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 771 E C 2.722 179.323 176.600 0.002 0.000 0.987 771 E CA 0.930 57.321 56.400 -0.015 0.000 0.799 771 E CB -0.059 29.631 29.700 -0.016 0.000 0.752 771 E HN 0.319 nan 8.360 nan 0.000 0.449 772 V N 0.871 120.783 119.914 -0.003 0.000 2.626 772 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 772 V C 2.242 178.366 176.094 0.049 0.000 1.067 772 V CA 1.019 63.326 62.300 0.011 0.000 1.081 772 V CB -0.198 31.614 31.823 -0.019 0.000 0.686 772 V HN 0.132 nan 8.190 nan 0.000 0.468 773 V N -0.829 119.105 119.914 0.033 0.000 2.427 773 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 773 V C 2.516 178.680 176.094 0.116 0.000 1.051 773 V CA 2.054 64.402 62.300 0.080 0.000 1.048 773 V CB -0.659 31.184 31.823 0.033 0.000 0.666 773 V HN 0.774 nan 8.190 nan 0.000 0.456 774 C N 0.377 119.710 119.300 0.055 0.000 2.496 774 C HA -0.114 4.346 4.460 -0.000 0.000 0.281 774 C C 2.607 177.623 174.990 0.043 0.000 1.250 774 C CA 0.769 59.807 59.018 0.033 0.000 1.717 774 C CB -0.939 26.805 27.740 0.008 0.000 2.082 774 C HN 0.508 nan 8.230 nan 0.000 0.472 775 I N 0.952 121.549 120.570 0.046 0.000 2.315 775 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 775 I C 2.303 178.457 176.117 0.061 0.000 1.125 775 I CA 1.754 63.073 61.300 0.032 0.000 1.392 775 I CB -1.752 36.262 38.000 0.024 0.000 1.065 775 I HN 0.430 nan 8.210 nan 0.000 0.424 776 F N 1.587 121.512 119.950 -0.042 0.000 2.113 776 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 776 F C 2.338 178.122 175.800 -0.027 0.000 1.103 776 F CA 1.426 59.404 58.000 -0.037 0.000 1.248 776 F CB -0.439 38.546 39.000 -0.025 0.000 0.999 776 F HN -0.106 nan 8.300 nan 0.000 0.475 777 L N -0.135 121.036 121.223 -0.087 0.000 1.955 777 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 777 L C 1.853 178.622 176.870 -0.169 0.000 1.072 777 L CA 1.888 56.626 54.840 -0.170 0.000 0.755 777 L CB -1.550 40.491 42.059 -0.030 0.000 0.888 777 L HN 0.240 nan 8.230 nan 0.000 0.432 778 T N -2.453 112.045 114.554 -0.093 0.000 3.953 778 T HA 0.383 4.733 4.350 -0.000 0.000 0.236 778 T C 0.489 175.142 174.700 -0.079 0.000 0.861 778 T CA 0.381 62.434 62.100 -0.078 0.000 0.909 778 T CB 0.165 69.000 68.868 -0.055 0.000 1.240 778 T HN 0.399 nan 8.240 nan 0.000 0.683 779 A N -0.004 122.732 122.820 -0.140 0.000 1.827 779 A HA 0.806 5.126 4.320 -0.000 0.000 0.196 779 A C 1.796 179.286 177.584 -0.156 0.000 1.833 779 A CA 0.237 52.197 52.037 -0.130 0.000 1.363 779 A CB -0.242 18.655 19.000 -0.172 0.000 1.439 779 A HN 0.787 nan 8.150 nan 0.000 0.391 780 A N -1.110 121.542 122.820 -0.279 0.000 2.508 780 A HA 0.583 4.903 4.320 -0.000 0.000 0.257 780 A C 1.056 178.515 177.584 -0.208 0.000 1.226 780 A CA 0.366 52.248 52.037 -0.259 0.000 0.947 780 A CB -0.032 18.736 19.000 -0.387 0.000 1.079 780 A HN 0.489 nan 8.150 nan 0.000 0.531 781 L N -2.130 118.984 121.223 -0.181 0.000 2.731 781 L HA 0.426 4.766 4.340 -0.000 0.000 0.240 781 L C 1.552 178.332 176.870 -0.151 0.000 1.120 781 L CA 1.431 56.197 54.840 -0.124 0.000 0.913 781 L CB 0.427 42.443 42.059 -0.072 0.000 1.213 781 L HN 0.597 nan 8.230 nan 0.000 0.515 782 G N -0.444 108.263 108.800 -0.155 0.000 2.317 782 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.227 782 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.227 782 G C 0.257 175.115 174.900 -0.069 0.000 1.042 782 G CA 0.136 45.121 45.100 -0.191 0.000 0.623 782 G HN 0.156 nan 8.290 nan 0.000 0.509 783 L N 3.522 124.690 121.223 -0.091 0.000 2.558 783 L HA 0.269 4.609 4.340 -0.000 0.000 0.301 783 L C -0.991 175.813 176.870 -0.111 0.000 1.267 783 L CA 0.038 54.806 54.840 -0.121 0.000 0.854 783 L CB -0.245 41.733 42.059 -0.136 0.000 1.103 783 L HN 0.174 nan 8.230 nan 0.000 0.522 784 P HA 0.067 nan 4.420 nan 0.000 0.274 784 P C -1.018 176.143 177.300 -0.231 0.000 1.260 784 P CA -0.490 62.230 63.100 -0.633 0.000 0.793 784 P CB 0.283 31.334 31.700 -1.081 0.000 1.048 785 E N -0.128 120.001 120.200 -0.118 0.000 2.104 785 E HA 0.218 4.568 4.350 -0.000 0.000 0.278 785 E C 0.849 177.433 176.600 -0.027 0.000 1.127 785 E CA -0.275 56.104 56.400 -0.035 0.000 0.897 785 E CB 0.235 29.943 29.700 0.014 0.000 1.043 785 E HN 0.351 nan 8.360 nan 0.000 0.410 786 A N 4.688 127.494 122.820 -0.025 0.000 2.014 786 A HA 0.007 4.326 4.320 -0.000 0.000 0.218 786 A C 0.679 178.281 177.584 0.029 0.000 1.163 786 A CA 0.810 52.849 52.037 0.002 0.000 0.652 786 A CB 0.150 19.150 19.000 0.000 0.000 0.808 786 A HN 0.536 nan 8.150 nan 0.000 0.449 787 L N 0.295 121.537 121.223 0.031 0.000 2.543 787 L HA 0.403 4.743 4.340 -0.000 0.000 0.265 787 L C -0.722 176.178 176.870 0.050 0.000 0.945 787 L CA -0.708 54.163 54.840 0.053 0.000 0.869 787 L CB 2.067 44.159 42.059 0.056 0.000 1.294 787 L HN 0.398 nan 8.230 nan 0.000 0.405 788 I N 0.552 121.161 120.570 0.065 0.000 2.612 788 I HA 0.397 4.567 4.170 -0.000 0.000 0.295 788 I C -1.487 174.668 176.117 0.063 0.000 1.011 788 I CA -1.820 59.513 61.300 0.055 0.000 1.326 788 I CB 1.091 39.123 38.000 0.054 0.000 1.427 788 I HN 0.425 nan 8.210 nan 0.000 0.537 789 P HA -0.078 nan 4.420 nan 0.000 0.236 789 P C 0.984 178.323 177.300 0.064 0.000 1.172 789 P CA 0.669 63.798 63.100 0.049 0.000 0.759 789 P CB 0.062 31.780 31.700 0.030 0.000 0.843 790 V N -0.988 118.964 119.914 0.063 0.000 3.647 790 V HA 0.081 4.201 4.120 -0.000 0.000 0.279 790 V C 2.236 178.402 176.094 0.119 0.000 1.314 790 V CA 0.748 63.075 62.300 0.046 0.000 1.125 790 V CB -0.598 31.207 31.823 -0.030 0.000 0.907 790 V HN 0.115 nan 8.190 nan 0.000 0.434 791 Q N -0.334 119.588 119.800 0.203 0.000 2.442 791 Q HA 0.236 4.576 4.340 -0.000 0.000 0.228 791 Q C 2.133 178.328 176.000 0.326 0.000 0.902 791 Q CA 0.363 56.384 55.803 0.363 0.000 0.933 791 Q CB 0.111 29.030 28.738 0.302 0.000 1.071 791 Q HN 0.444 nan 8.270 nan 0.000 0.562 792 L N 0.993 122.337 121.223 0.202 0.000 2.021 792 L HA -0.262 4.077 4.340 -0.000 0.000 0.215 792 L C 2.350 179.316 176.870 0.160 0.000 1.074 792 L CA 1.329 56.259 54.840 0.149 0.000 0.760 792 L CB -0.711 41.401 42.059 0.088 0.000 0.889 792 L HN 0.265 nan 8.230 nan 0.000 0.433 793 L N -1.491 119.834 121.223 0.170 0.000 1.997 793 L HA -0.297 4.043 4.340 -0.000 0.000 0.216 793 L C 2.488 179.476 176.870 0.197 0.000 1.074 793 L CA 1.947 56.879 54.840 0.153 0.000 0.763 793 L CB -0.681 41.469 42.059 0.151 0.000 0.890 793 L HN 0.416 nan 8.230 nan 0.000 0.434 794 W N 0.073 121.467 121.300 0.157 0.000 2.363 794 W HA -0.176 4.484 4.660 -0.000 0.000 0.296 794 W C 2.297 178.864 176.519 0.079 0.000 1.212 794 W CA 1.659 59.101 57.345 0.162 0.000 1.260 794 W CB -0.177 29.455 29.460 0.288 0.000 1.131 794 W HN -0.160 nan 8.180 nan 0.000 0.530 795 V N 0.992 121.046 119.914 0.233 0.000 2.307 795 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 795 V C 1.614 177.654 176.094 -0.090 0.000 1.045 795 V CA 2.079 64.412 62.300 0.054 0.000 1.024 795 V CB -0.961 30.930 31.823 0.113 0.000 0.651 795 V HN 0.158 nan 8.190 nan 0.000 0.449 796 N N -0.401 118.270 118.700 -0.048 0.000 2.434 796 N HA 0.179 4.919 4.740 -0.000 0.000 0.196 796 N C 1.048 176.492 175.510 -0.110 0.000 1.183 796 N CA 0.540 53.541 53.050 -0.082 0.000 0.849 796 N CB 0.714 39.176 38.487 -0.043 0.000 0.992 796 N HN 0.448 nan 8.380 nan 0.000 0.460 797 L N -1.591 119.527 121.223 -0.175 0.000 2.713 797 L HA 0.193 4.533 4.340 -0.000 0.000 0.223 797 L C 1.379 178.065 176.870 -0.308 0.000 1.040 797 L CA 0.220 54.943 54.840 -0.195 0.000 0.894 797 L CB 0.518 42.489 42.059 -0.147 0.000 1.361 797 L HN -0.139 nan 8.230 nan 0.000 0.490 798 V N -1.550 118.034 119.914 -0.550 0.000 3.090 798 V HA -0.002 4.118 4.120 -0.000 0.000 0.237 798 V C 2.225 177.973 176.094 -0.577 0.000 1.209 798 V CA 1.292 63.191 62.300 -0.669 0.000 1.209 798 V CB 0.691 31.785 31.823 -1.214 0.000 0.971 798 V HN 0.248 nan 8.190 nan 0.000 0.477 799 T N 0.454 114.634 114.554 -0.623 0.000 2.668 799 T HA -0.159 4.191 4.350 -0.000 0.000 0.262 799 T C 1.471 176.086 174.700 -0.142 0.000 1.045 799 T CA 1.921 63.829 62.100 -0.319 0.000 1.152 799 T CB -0.232 68.531 68.868 -0.175 0.000 0.864 799 T HN 0.430 nan 8.240 nan 0.000 0.419 800 D N 0.544 120.875 120.400 -0.114 0.000 2.301 800 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 800 D C 2.364 178.677 176.300 0.021 0.000 0.979 800 D CA 0.590 54.603 54.000 0.021 0.000 0.874 800 D CB -0.571 40.160 40.800 -0.116 0.000 0.968 800 D HN 0.446 nan 8.370 nan 0.000 0.510 801 G N 1.186 109.924 108.800 -0.103 0.000 2.499 801 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.221 801 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.221 801 G C 1.701 176.536 174.900 -0.108 0.000 1.109 801 G CA 0.447 45.474 45.100 -0.121 0.000 0.749 801 G HN 0.229 nan 8.290 nan 0.000 0.568 802 L N 0.129 121.300 121.223 -0.086 0.000 2.145 802 L HA 0.076 4.415 4.340 -0.000 0.000 0.201 802 L C -0.088 176.761 176.870 -0.035 0.000 1.075 802 L CA 0.413 55.218 54.840 -0.058 0.000 0.773 802 L CB -0.823 41.199 42.059 -0.062 0.000 0.936 802 L HN 0.064 nan 8.230 nan 0.000 0.451 803 P HA -0.142 nan 4.420 nan 0.000 0.218 803 P C 1.422 178.642 177.300 -0.134 0.000 1.149 803 P CA 1.588 64.631 63.100 -0.095 0.000 0.817 803 P CB 0.029 31.631 31.700 -0.164 0.000 0.785 804 A N -0.524 122.268 122.820 -0.047 0.000 1.841 804 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 804 A C 2.265 179.660 177.584 -0.315 0.000 1.199 804 A CA 2.689 54.667 52.037 -0.098 0.000 0.621 804 A CB -1.989 16.926 19.000 -0.141 0.000 0.835 804 A HN 0.137 nan 8.150 nan 0.000 0.445 805 T N 0.332 114.677 114.554 -0.347 0.000 2.822 805 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 805 T C 1.946 176.439 174.700 -0.345 0.000 1.064 805 T CA 1.519 63.384 62.100 -0.392 0.000 1.131 805 T CB -0.375 68.371 68.868 -0.203 0.000 0.858 805 T HN 0.618 nan 8.240 nan 0.000 0.483 806 A N 0.640 123.405 122.820 -0.091 0.000 1.970 806 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 806 A C 2.207 179.813 177.584 0.036 0.000 1.170 806 A CA 0.641 52.757 52.037 0.132 0.000 0.645 806 A CB -0.485 18.622 19.000 0.179 0.000 0.816 806 A HN 0.471 nan 8.150 nan 0.000 0.447 807 L N -0.589 120.603 121.223 -0.051 0.000 2.217 807 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 807 L C 2.480 179.350 176.870 0.001 0.000 1.107 807 L CA 0.760 55.602 54.840 0.002 0.000 0.783 807 L CB -0.444 41.638 42.059 0.038 0.000 0.919 807 L HN 0.489 nan 8.230 nan 0.000 0.442 808 G N -0.962 107.773 108.800 -0.107 0.000 2.740 808 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.208 808 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.208 808 G C 0.760 175.452 174.900 -0.346 0.000 1.148 808 G CA 0.126 45.127 45.100 -0.166 0.000 0.795 808 G HN 0.283 nan 8.290 nan 0.000 0.526 809 F N 0.168 120.099 119.950 -0.033 0.000 2.688 809 F HA 0.300 4.827 4.527 -0.000 0.000 0.310 809 F C 0.629 176.382 175.800 -0.079 0.000 1.098 809 F CA -1.778 56.151 58.000 -0.119 0.000 1.228 809 F CB -0.284 38.563 39.000 -0.254 0.000 1.042 809 F HN -0.098 nan 8.300 nan 0.000 0.557 810 N N 4.171 122.927 118.700 0.093 0.000 2.356 810 N HA 0.004 4.744 4.740 -0.000 0.000 0.252 810 N C -2.395 173.134 175.510 0.032 0.000 1.241 810 N CA -0.588 52.490 53.050 0.046 0.000 0.861 810 N CB 0.028 38.517 38.487 0.004 0.000 1.075 810 N HN 0.031 nan 8.380 nan 0.000 0.461 811 P HA 0.096 nan 4.420 nan 0.000 0.267 811 P C -2.226 175.075 177.300 0.001 0.000 1.209 811 P CA -0.736 62.371 63.100 0.010 0.000 0.763 811 P CB -0.073 31.632 31.700 0.008 0.000 0.816 812 P HA 0.122 nan 4.420 nan 0.000 0.272 812 P C -0.135 177.162 177.300 -0.004 0.000 1.230 812 P CA -0.024 63.074 63.100 -0.003 0.000 0.788 812 P CB 0.855 32.555 31.700 0.001 0.000 0.949 813 D N 0.379 120.776 120.400 -0.005 0.000 2.372 813 D HA 0.082 4.722 4.640 -0.000 0.000 0.243 813 D C 1.517 177.816 176.300 -0.003 0.000 1.297 813 D CA -0.199 53.798 54.000 -0.005 0.000 0.958 813 D CB 0.702 41.499 40.800 -0.006 0.000 1.114 813 D HN 0.293 nan 8.370 nan 0.000 0.496 814 L N -0.291 120.931 121.223 -0.003 0.000 2.362 814 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 814 L C 1.699 178.568 176.870 -0.001 0.000 1.060 814 L CA 0.293 55.132 54.840 -0.001 0.000 0.827 814 L CB -0.198 41.861 42.059 -0.001 0.000 1.027 814 L HN 0.384 nan 8.230 nan 0.000 0.474 815 D N 0.699 121.098 120.400 -0.002 0.000 2.338 815 D HA -0.140 4.499 4.640 -0.000 0.000 0.239 815 D C 1.868 178.168 176.300 -0.001 0.000 1.095 815 D CA 0.143 54.142 54.000 -0.002 0.000 0.888 815 D CB 0.032 40.830 40.800 -0.003 0.000 0.899 815 D HN 0.227 nan 8.370 nan 0.000 0.525 816 I N 0.651 121.221 120.570 -0.000 0.000 2.185 816 I HA -0.274 3.896 4.170 -0.000 0.000 0.246 816 I C 1.602 177.720 176.117 0.001 0.000 1.088 816 I CA 1.366 62.667 61.300 0.002 0.000 1.347 816 I CB -0.121 37.880 38.000 0.003 0.000 1.041 816 I HN -0.018 nan 8.210 nan 0.000 0.415 817 M N -0.289 119.311 119.600 -0.001 0.000 2.626 817 M HA 0.152 4.632 4.480 -0.000 0.000 0.262 817 M C 0.101 176.400 176.300 -0.002 0.000 1.256 817 M CA 0.443 55.741 55.300 -0.002 0.000 0.981 817 M CB -0.896 31.703 32.600 -0.002 0.000 1.492 817 M HN 0.172 nan 8.290 nan 0.000 0.474 818 D N -0.419 119.980 120.400 -0.002 0.000 2.503 818 D HA 0.163 4.803 4.640 -0.000 0.000 0.218 818 D C 0.556 176.854 176.300 -0.003 0.000 1.183 818 D CA 0.015 54.014 54.000 -0.002 0.000 0.827 818 D CB 1.131 41.930 40.800 -0.002 0.000 1.034 818 D HN 0.154 nan 8.370 nan 0.000 0.510 819 R N 1.438 121.936 120.500 -0.003 0.000 2.732 819 R HA 0.460 4.800 4.340 -0.000 0.000 0.278 819 R C -2.563 173.734 176.300 -0.005 0.000 0.976 819 R CA -1.980 54.118 56.100 -0.003 0.000 0.963 819 R CB 1.458 31.758 30.300 -0.001 0.000 1.150 819 R HN -0.127 nan 8.270 nan 0.000 0.478 820 P HA 0.196 nan 4.420 nan 0.000 0.274 820 P C -2.597 174.696 177.300 -0.012 0.000 1.237 820 P CA -1.308 61.786 63.100 -0.009 0.000 0.793 820 P CB -0.008 31.687 31.700 -0.008 0.000 0.977 821 P HA 0.008 nan 4.420 nan 0.000 0.264 821 P C 0.239 177.522 177.300 -0.029 0.000 1.183 821 P CA 0.388 63.471 63.100 -0.028 0.000 0.763 821 P CB 0.219 31.902 31.700 -0.029 0.000 0.807 822 R N 1.416 121.891 120.500 -0.042 0.000 2.539 822 R HA 0.392 4.732 4.340 -0.000 0.000 0.275 822 R C 0.200 176.469 176.300 -0.052 0.000 1.077 822 R CA -0.554 55.523 56.100 -0.039 0.000 1.097 822 R CB 0.356 30.633 30.300 -0.040 0.000 1.018 822 R HN 0.344 nan 8.270 nan 0.000 0.483 823 S N 2.097 117.777 115.700 -0.033 0.000 2.562 823 S HA 0.113 4.583 4.470 -0.000 0.000 0.281 823 S C -1.578 172.992 174.600 -0.049 0.000 1.333 823 S CA -1.360 56.822 58.200 -0.030 0.000 1.052 823 S CB 0.805 63.998 63.200 -0.012 0.000 0.884 823 S HN 0.603 nan 8.310 nan 0.000 0.506 824 P HA -0.004 nan 4.420 nan 0.000 0.220 824 P C 0.946 178.226 177.300 -0.034 0.000 1.148 824 P CA 0.843 63.908 63.100 -0.058 0.000 0.803 824 P CB 0.183 31.859 31.700 -0.039 0.000 0.782 825 K N -0.256 120.135 120.400 -0.015 0.000 2.305 825 K HA -0.019 4.301 4.320 -0.000 0.000 0.199 825 K C 0.712 177.318 176.600 0.010 0.000 1.047 825 K CA 0.143 56.431 56.287 0.001 0.000 0.976 825 K CB -0.535 31.968 32.500 0.005 0.000 0.765 825 K HN 0.331 nan 8.250 nan 0.000 0.474 826 E N 3.982 124.186 120.200 0.007 0.000 2.924 826 E HA -0.074 4.276 4.350 -0.000 0.000 0.236 826 E C -2.049 174.579 176.600 0.046 0.000 1.028 826 E CA -0.920 55.495 56.400 0.025 0.000 0.952 826 E CB 0.259 29.975 29.700 0.027 0.000 0.918 826 E HN 0.010 nan 8.360 nan 0.000 0.536 827 P HA -0.040 nan 4.420 nan 0.000 0.271 827 P C 0.479 177.810 177.300 0.051 0.000 1.218 827 P CA -0.005 63.125 63.100 0.051 0.000 0.780 827 P CB 1.029 32.757 31.700 0.046 0.000 0.901 828 L N 1.325 122.573 121.223 0.042 0.000 2.072 828 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 828 L C 1.007 177.871 176.870 -0.009 0.000 1.079 828 L CA 1.207 56.050 54.840 0.005 0.000 0.752 828 L CB -0.098 41.942 42.059 -0.032 0.000 0.906 828 L HN 0.323 nan 8.230 nan 0.000 0.436 829 I N -0.368 120.218 120.570 0.026 0.000 2.468 829 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 829 I C -0.477 175.738 176.117 0.164 0.000 1.039 829 I CA -0.031 61.297 61.300 0.046 0.000 1.074 829 I CB 1.261 39.284 38.000 0.040 0.000 1.228 829 I HN 0.065 nan 8.210 nan 0.000 0.436 830 S N 3.350 119.136 115.700 0.142 0.000 2.627 830 S HA 0.851 5.321 4.470 -0.000 0.000 0.268 830 S C -0.151 174.526 174.600 0.129 0.000 1.130 830 S CA -0.061 58.227 58.200 0.147 0.000 0.819 830 S CB 1.663 64.895 63.200 0.053 0.000 1.100 830 S HN 1.593 nan 8.310 nan 0.000 0.465 831 G N 1.553 110.412 108.800 0.098 0.000 2.552 831 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.265 831 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.265 831 G C 0.726 175.779 174.900 0.255 0.000 1.234 831 G CA 0.397 45.583 45.100 0.143 0.000 0.944 831 G HN 1.501 nan 8.290 nan 0.000 0.568 832 W N -0.111 121.243 121.300 0.090 0.000 2.364 832 W HA -0.008 4.652 4.660 -0.000 0.000 0.281 832 W C 2.201 178.791 176.519 0.118 0.000 1.219 832 W CA 1.867 59.297 57.345 0.143 0.000 1.220 832 W CB -0.146 29.373 29.460 0.097 0.000 1.127 832 W HN 0.442 nan 8.180 nan 0.000 0.556 833 L N 0.285 121.564 121.223 0.093 0.000 2.376 833 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 833 L C 2.054 178.785 176.870 -0.231 0.000 1.133 833 L CA 1.478 56.204 54.840 -0.190 0.000 0.816 833 L CB -1.158 40.779 42.059 -0.203 0.000 0.933 833 L HN -0.062 nan 8.230 nan 0.000 0.449 834 F N -1.525 118.344 119.950 -0.135 0.000 2.234 834 F HA -0.151 4.376 4.527 -0.000 0.000 0.296 834 F C 2.115 177.895 175.800 -0.034 0.000 1.089 834 F CA 1.190 59.154 58.000 -0.060 0.000 1.343 834 F CB -0.209 38.796 39.000 0.007 0.000 1.040 834 F HN 0.170 nan 8.300 nan 0.000 0.498 835 F N 1.101 121.026 119.950 -0.042 0.000 2.149 835 F HA 0.021 4.547 4.527 -0.000 0.000 0.294 835 F C 2.619 178.205 175.800 -0.355 0.000 1.095 835 F CA 1.566 59.442 58.000 -0.207 0.000 1.276 835 F CB -0.822 37.972 39.000 -0.342 0.000 1.023 835 F HN -0.172 nan 8.300 nan 0.000 0.480 836 R N -0.807 119.286 120.500 -0.679 0.000 2.117 836 R HA -0.229 4.111 4.340 -0.000 0.000 0.243 836 R C 2.144 178.307 176.300 -0.229 0.000 1.143 836 R CA 2.105 57.834 56.100 -0.619 0.000 0.968 836 R CB -0.685 29.357 30.300 -0.430 0.000 0.863 836 R HN 0.485 nan 8.270 nan 0.000 0.444 837 Y N -1.492 118.591 120.300 -0.361 0.000 2.523 837 Y HA -0.081 4.469 4.550 -0.000 0.000 0.279 837 Y C 2.044 177.751 175.900 -0.322 0.000 1.139 837 Y CA -0.381 57.545 58.100 -0.290 0.000 1.296 837 Y CB 0.282 38.598 38.460 -0.240 0.000 1.045 837 Y HN 0.163 nan 8.280 nan 0.000 0.538 838 M N 0.327 119.781 119.600 -0.243 0.000 2.193 838 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 838 M C 2.254 178.418 176.300 -0.226 0.000 1.071 838 M CA 1.624 56.780 55.300 -0.240 0.000 1.140 838 M CB -0.439 32.057 32.600 -0.173 0.000 1.369 838 M HN 0.111 nan 8.290 nan 0.000 0.423 839 A N 0.678 123.261 122.820 -0.394 0.000 1.845 839 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 839 A C 2.001 179.492 177.584 -0.154 0.000 1.195 839 A CA 1.811 53.655 52.037 -0.322 0.000 0.616 839 A CB -1.102 17.580 19.000 -0.529 0.000 0.832 839 A HN 0.500 nan 8.150 nan 0.000 0.443 840 I N 0.350 120.816 120.570 -0.173 0.000 2.315 840 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 840 I C 2.546 178.649 176.117 -0.024 0.000 1.125 840 I CA 1.453 62.697 61.300 -0.093 0.000 1.392 840 I CB -2.094 35.821 38.000 -0.141 0.000 1.065 840 I HN 0.382 nan 8.210 nan 0.000 0.424 841 G N 0.915 109.667 108.800 -0.081 0.000 2.484 841 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 841 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 841 G C 1.757 176.645 174.900 -0.019 0.000 1.219 841 G CA 0.864 45.922 45.100 -0.071 0.000 0.791 841 G HN 0.442 nan 8.290 nan 0.000 0.550 842 G N -0.324 108.470 108.800 -0.009 0.000 2.442 842 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 842 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 842 G C 1.607 176.535 174.900 0.047 0.000 1.141 842 G CA 1.259 46.373 45.100 0.023 0.000 0.763 842 G HN 0.437 nan 8.290 nan 0.000 0.554 843 Y N 1.427 121.693 120.300 -0.056 0.000 2.030 843 Y HA -0.228 4.322 4.550 -0.000 0.000 0.274 843 Y C 2.890 178.765 175.900 -0.042 0.000 1.153 843 Y CA 2.076 60.147 58.100 -0.049 0.000 1.115 843 Y CB -0.621 37.798 38.460 -0.068 0.000 0.969 843 Y HN 0.032 nan 8.280 nan 0.000 0.488 844 V N 0.503 120.399 119.914 -0.030 0.000 2.469 844 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 844 V C 2.612 178.628 176.094 -0.131 0.000 1.064 844 V CA 1.857 64.085 62.300 -0.120 0.000 1.066 844 V CB -1.718 30.091 31.823 -0.023 0.000 0.667 844 V HN 0.691 nan 8.190 nan 0.000 0.461 845 G N -0.316 108.440 108.800 -0.074 0.000 2.446 845 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 845 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 845 G C 1.605 176.468 174.900 -0.062 0.000 1.168 845 G CA 1.037 46.113 45.100 -0.040 0.000 0.771 845 G HN 0.651 nan 8.290 nan 0.000 0.551 846 A N 0.324 123.082 122.820 -0.105 0.000 2.132 846 A HA 0.628 4.948 4.320 -0.000 0.000 0.213 846 A C 2.568 180.037 177.584 -0.191 0.000 1.154 846 A CA 1.366 53.337 52.037 -0.110 0.000 0.753 846 A CB -0.230 18.720 19.000 -0.083 0.000 0.826 846 A HN 0.625 nan 8.150 nan 0.000 0.469 847 A N 0.135 122.756 122.820 -0.333 0.000 1.969 847 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 847 A C 2.354 179.822 177.584 -0.193 0.000 1.169 847 A CA 2.266 54.066 52.037 -0.396 0.000 0.635 847 A CB -0.903 17.724 19.000 -0.623 0.000 0.810 847 A HN 0.618 nan 8.150 nan 0.000 0.445 848 T N -3.274 111.203 114.554 -0.128 0.000 2.901 848 T HA -0.011 4.339 4.350 -0.000 0.000 0.252 848 T C 1.672 176.362 174.700 -0.017 0.000 1.035 848 T CA 1.129 63.196 62.100 -0.055 0.000 1.142 848 T CB -0.740 68.107 68.868 -0.035 0.000 0.869 848 T HN 0.027 nan 8.240 nan 0.000 0.442 849 V N 2.168 122.068 119.914 -0.024 0.000 2.490 849 V HA -0.005 4.115 4.120 -0.000 0.000 0.250 849 V C 3.008 179.120 176.094 0.030 0.000 1.061 849 V CA 1.817 64.116 62.300 -0.001 0.000 1.064 849 V CB -1.451 30.365 31.823 -0.011 0.000 0.670 849 V HN 0.705 nan 8.190 nan 0.000 0.461 850 G N -0.353 108.455 108.800 0.014 0.000 2.408 850 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.217 850 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.217 850 G C 1.687 176.680 174.900 0.155 0.000 1.150 850 G CA 0.841 45.977 45.100 0.060 0.000 0.776 850 G HN 0.606 nan 8.290 nan 0.000 0.542 851 A N 0.671 123.553 122.820 0.103 0.000 2.066 851 A HA 0.466 4.786 4.320 -0.000 0.000 0.218 851 A C 2.620 180.413 177.584 0.349 0.000 1.157 851 A CA 1.824 53.968 52.037 0.179 0.000 0.670 851 A CB -0.343 18.684 19.000 0.046 0.000 0.804 851 A HN 0.594 nan 8.150 nan 0.000 0.453 852 A N -0.220 122.740 122.820 0.233 0.000 1.878 852 A HA 0.376 4.696 4.320 -0.000 0.000 0.213 852 A C 2.341 180.075 177.584 0.251 0.000 1.192 852 A CA 1.338 53.510 52.037 0.225 0.000 0.619 852 A CB -0.853 18.190 19.000 0.072 0.000 0.837 852 A HN 0.969 nan 8.150 nan 0.000 0.446 853 A N -2.163 120.756 122.820 0.165 0.000 2.209 853 A HA -0.016 4.303 4.320 -0.000 0.000 0.212 853 A C 1.744 179.531 177.584 0.339 0.000 1.158 853 A CA 1.113 53.229 52.037 0.131 0.000 0.742 853 A CB -0.724 18.349 19.000 0.121 0.000 0.790 853 A HN 0.837 nan 8.150 nan 0.000 0.472 854 W N -1.145 120.305 121.300 0.250 0.000 2.494 854 W HA -0.022 4.638 4.660 -0.000 0.000 0.286 854 W C 1.727 178.440 176.519 0.324 0.000 1.218 854 W CA 0.841 58.347 57.345 0.269 0.000 1.313 854 W CB -0.196 29.399 29.460 0.224 0.000 1.105 854 W HN 0.487 nan 8.180 nan 0.000 0.561 855 W N 0.828 122.293 121.300 0.276 0.000 2.961 855 W HA -0.082 4.578 4.660 -0.000 0.000 0.240 855 W C 0.237 176.782 176.519 0.043 0.000 1.305 855 W CA 0.706 58.079 57.345 0.047 0.000 1.465 855 W CB -0.349 29.279 29.460 0.280 0.000 1.135 855 W HN -0.051 nan 8.180 nan 0.000 0.688 856 F N -0.700 119.217 119.950 -0.055 0.000 2.432 856 F HA 0.121 4.648 4.527 -0.000 0.000 0.247 856 F C 2.446 178.176 175.800 -0.116 0.000 0.972 856 F CA 0.615 58.587 58.000 -0.047 0.000 1.083 856 F CB -1.252 37.822 39.000 0.124 0.000 1.285 856 F HN -0.387 nan 8.300 nan 0.000 0.693 857 M N -0.410 119.330 119.600 0.233 0.000 3.288 857 M HA -0.250 4.230 4.480 -0.000 0.000 0.291 857 M C 0.614 176.924 176.300 0.017 0.000 1.067 857 M CA 1.693 57.078 55.300 0.141 0.000 1.066 857 M CB -0.944 31.780 32.600 0.206 0.000 1.172 857 M HN 0.124 nan 8.290 nan 0.000 0.584 858 Y N 1.860 122.088 120.300 -0.120 0.000 2.518 858 Y HA 0.423 4.973 4.550 -0.000 0.000 0.337 858 Y C -0.120 175.377 175.900 -0.671 0.000 1.261 858 Y CA -0.857 57.118 58.100 -0.209 0.000 1.856 858 Y CB -0.866 37.599 38.460 0.008 0.000 1.798 858 Y HN 0.226 nan 8.280 nan 0.000 0.440 859 A N 3.047 125.382 122.820 -0.809 0.000 3.042 859 A HA 0.734 5.054 4.320 -0.000 0.000 0.229 859 A C 0.319 177.379 177.584 -0.873 0.000 1.185 859 A CA -0.325 50.973 52.037 -1.232 0.000 0.844 859 A CB 1.086 19.418 19.000 -1.113 0.000 1.403 859 A HN 0.394 nan 8.150 nan 0.000 0.555 860 E N -0.899 118.770 120.200 -0.885 0.000 3.387 860 E HA 0.091 4.441 4.350 -0.000 0.000 0.200 860 E C -0.194 176.078 176.600 -0.546 0.000 1.248 860 E CA 0.005 56.063 56.400 -0.569 0.000 1.240 860 E CB -0.021 29.432 29.700 -0.412 0.000 2.409 860 E HN 0.600 nan 8.360 nan 0.000 0.533 861 D N 1.292 121.295 120.400 -0.662 0.000 2.344 861 D HA 0.171 4.811 4.640 -0.000 0.000 0.242 861 D C 0.341 176.299 176.300 -0.570 0.000 1.159 861 D CA 0.219 53.937 54.000 -0.471 0.000 0.859 861 D CB 0.446 41.103 40.800 -0.237 0.000 0.925 861 D HN 0.041 nan 8.370 nan 0.000 0.510 862 G N 1.454 109.776 108.800 -0.796 0.000 2.498 862 G HA2 0.453 4.413 3.960 -0.000 0.000 0.312 862 G HA3 0.453 4.413 3.960 -0.000 0.000 0.312 862 G C -2.756 171.848 174.900 -0.492 0.000 1.230 862 G CA -1.323 43.344 45.100 -0.722 0.000 0.968 862 G HN -0.196 nan 8.290 nan 0.000 0.481 863 P HA 0.095 nan 4.420 nan 0.000 0.265 863 P C 0.949 178.157 177.300 -0.153 0.000 1.222 863 P CA 0.140 63.098 63.100 -0.237 0.000 0.767 863 P CB 1.034 32.613 31.700 -0.200 0.000 0.801 864 G N 3.708 112.443 108.800 -0.109 0.000 3.194 864 G HA2 0.018 3.978 3.960 -0.000 0.000 0.208 864 G HA3 0.018 3.978 3.960 -0.000 0.000 0.208 864 G C 0.520 175.466 174.900 0.077 0.000 1.240 864 G CA -0.375 44.705 45.100 -0.035 0.000 1.044 864 G HN 0.430 nan 8.290 nan 0.000 0.495 865 V N 1.228 121.227 119.914 0.141 0.000 2.877 865 V HA -0.039 4.081 4.120 -0.000 0.000 0.294 865 V C 1.501 177.751 176.094 0.260 0.000 1.280 865 V CA 0.984 63.447 62.300 0.272 0.000 1.372 865 V CB -0.217 31.882 31.823 0.460 0.000 0.867 865 V HN 0.603 nan 8.190 nan 0.000 0.513 866 T N 2.758 117.459 114.554 0.246 0.000 2.899 866 T HA 0.170 4.520 4.350 -0.000 0.000 0.295 866 T C 0.746 175.608 174.700 0.270 0.000 1.033 866 T CA -0.064 62.173 62.100 0.229 0.000 1.084 866 T CB 0.480 69.460 68.868 0.188 0.000 0.979 866 T HN 0.572 nan 8.240 nan 0.000 0.532 867 Y N 1.770 122.158 120.300 0.148 0.000 2.181 867 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 867 Y C 2.602 178.584 175.900 0.137 0.000 1.179 867 Y CA 2.502 60.676 58.100 0.124 0.000 1.179 867 Y CB -0.656 37.865 38.460 0.101 0.000 0.973 867 Y HN 0.998 nan 8.280 nan 0.000 0.519 868 H N 0.793 119.863 119.070 -0.001 0.000 2.326 868 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 868 H C 1.651 176.953 175.328 -0.043 0.000 1.081 868 H CA 1.964 57.979 56.048 -0.056 0.000 1.334 868 H CB -0.147 29.613 29.762 -0.003 0.000 1.385 868 H HN 0.685 nan 8.280 nan 0.000 0.504 869 Q N 0.209 120.061 119.800 0.086 0.000 2.444 869 Q HA 0.012 4.352 4.340 -0.000 0.000 0.206 869 Q C 2.002 177.847 176.000 -0.258 0.000 0.948 869 Q CA 0.480 56.197 55.803 -0.144 0.000 0.946 869 Q CB 0.038 28.876 28.738 0.166 0.000 1.027 869 Q HN 0.323 nan 8.270 nan 0.000 0.513 870 L N 1.296 122.476 121.223 -0.072 0.000 2.168 870 L HA 0.010 4.350 4.340 -0.000 0.000 0.203 870 L C 2.259 179.034 176.870 -0.159 0.000 1.078 870 L CA 2.268 57.103 54.840 -0.007 0.000 0.780 870 L CB -0.724 41.369 42.059 0.057 0.000 0.939 870 L HN 0.342 nan 8.230 nan 0.000 0.451 871 T N -3.423 110.941 114.554 -0.317 0.000 2.915 871 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 871 T C 1.046 175.488 174.700 -0.431 0.000 1.071 871 T CA 1.450 63.317 62.100 -0.387 0.000 1.132 871 T CB -0.777 67.744 68.868 -0.578 0.000 0.878 871 T HN 0.477 nan 8.240 nan 0.000 0.479 872 H N 0.916 119.704 119.070 -0.470 0.000 2.605 872 H HA 0.350 4.906 4.556 -0.000 0.000 0.308 872 H C 0.921 175.879 175.328 -0.617 0.000 1.080 872 H CA -0.933 54.805 56.048 -0.517 0.000 1.119 872 H CB -0.861 28.578 29.762 -0.538 0.000 1.479 872 H HN 0.601 nan 8.280 nan 0.000 0.537 873 F N -1.055 118.548 119.950 -0.578 0.000 2.494 873 F HA -0.172 4.355 4.527 0.000 0.000 0.298 873 F C 1.871 177.336 175.800 -0.558 0.000 1.106 873 F CA 0.624 58.156 58.000 -0.780 0.000 1.452 873 F CB -0.220 38.046 39.000 -1.223 0.000 1.085 873 F HN 0.274 nan 8.300 nan 0.000 0.569 874 M N 1.148 120.068 119.600 -1.133 0.000 2.062 874 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 874 M C 0.885 177.017 176.300 -0.281 0.000 1.076 874 M CA 1.596 56.405 55.300 -0.818 0.000 1.122 874 M CB -0.395 31.788 32.600 -0.695 0.000 1.312 874 M HN 0.224 nan 8.290 nan 0.000 0.412 875 Q N 0.517 120.207 119.800 -0.184 0.000 2.684 875 Q HA -0.061 4.279 4.340 -0.000 0.000 0.233 875 Q C 0.547 176.688 176.000 0.236 0.000 1.352 875 Q CA -0.380 55.419 55.803 -0.006 0.000 0.872 875 Q CB -0.043 28.697 28.738 0.003 0.000 1.674 875 Q HN 0.512 nan 8.270 nan 0.000 0.558 876 c N 0.311 119.059 118.600 0.247 0.000 2.485 876 c HA 0.003 4.573 4.570 -0.000 0.000 0.445 876 c C 2.331 176.409 174.090 -0.021 0.000 1.404 876 c CA 0.888 57.448 56.329 0.385 0.000 2.577 876 c CB 0.139 43.017 42.510 0.613 0.000 2.780 876 c HN 0.808 nan 8.230 nan 0.000 0.574 877 T N -0.773 113.767 114.554 -0.024 0.000 3.129 877 T HA 0.078 4.428 4.350 -0.000 0.000 0.251 877 T C 1.012 175.541 174.700 -0.285 0.000 1.117 877 T CA 1.213 63.235 62.100 -0.129 0.000 1.034 877 T CB -0.422 68.491 68.868 0.076 0.000 0.968 877 T HN 0.882 nan 8.240 nan 0.000 0.526 878 E N 0.163 120.211 120.200 -0.254 0.000 2.421 878 E HA 0.127 4.477 4.350 -0.000 0.000 0.209 878 E C 0.463 176.967 176.600 -0.159 0.000 0.871 878 E CA -0.211 56.092 56.400 -0.162 0.000 1.064 878 E CB 0.374 30.026 29.700 -0.079 0.000 1.075 878 E HN 0.307 nan 8.360 nan 0.000 0.513 879 D N 0.659 120.962 120.400 -0.162 0.000 2.513 879 D HA 0.079 4.719 4.640 -0.000 0.000 0.295 879 D C 0.254 176.565 176.300 0.020 0.000 1.202 879 D CA -0.356 53.628 54.000 -0.027 0.000 0.849 879 D CB 0.225 41.060 40.800 0.059 0.000 1.116 879 D HN 0.142 nan 8.370 nan 0.000 0.502 880 H N 0.030 119.162 119.070 0.104 0.000 2.353 880 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 880 H C -0.987 174.381 175.328 0.066 0.000 1.090 880 H CA 1.120 57.205 56.048 0.062 0.000 1.327 880 H CB -1.072 28.706 29.762 0.027 0.000 1.383 880 H HN 0.407 nan 8.280 nan 0.000 0.508 881 P HA -0.191 nan 4.420 nan 0.000 0.202 881 P C 1.534 178.939 177.300 0.174 0.000 1.121 881 P CA 1.667 64.858 63.100 0.153 0.000 0.939 881 P CB -0.228 31.552 31.700 0.134 0.000 0.761 882 H N -1.510 117.622 119.070 0.102 0.000 2.252 882 H HA -0.139 4.417 4.556 -0.000 0.000 0.292 882 H C 0.418 175.874 175.328 0.213 0.000 1.082 882 H CA 1.320 57.440 56.048 0.120 0.000 1.229 882 H CB -0.977 28.847 29.762 0.103 0.000 1.353 882 H HN 0.011 nan 8.280 nan 0.000 0.488 883 F N 1.390 121.407 119.950 0.113 0.000 2.404 883 F HA 0.437 4.964 4.527 -0.000 0.000 0.358 883 F C -0.730 175.134 175.800 0.106 0.000 1.120 883 F CA -0.613 57.435 58.000 0.081 0.000 1.144 883 F CB 0.514 39.599 39.000 0.143 0.000 1.133 883 F HN 0.232 nan 8.300 nan 0.000 0.495 884 E N 3.227 123.265 120.200 -0.269 0.000 2.388 884 E HA 0.591 4.941 4.350 -0.000 0.000 0.282 884 E C -0.513 175.944 176.600 -0.237 0.000 1.026 884 E CA 0.075 56.288 56.400 -0.310 0.000 0.820 884 E CB 1.310 30.955 29.700 -0.093 0.000 1.226 884 E HN 0.669 nan 8.360 nan 0.000 0.432 885 G N 1.777 110.436 108.800 -0.234 0.000 4.302 885 G HA2 0.202 4.162 3.960 -0.000 0.000 0.137 885 G HA3 0.202 4.162 3.960 -0.000 0.000 0.137 885 G C -0.889 173.924 174.900 -0.145 0.000 1.147 885 G CA 0.205 45.214 45.100 -0.152 0.000 1.041 885 G HN 0.323 nan 8.290 nan 0.000 0.344 886 L N 0.489 121.606 121.223 -0.176 0.000 2.670 886 L HA 0.613 4.953 4.340 -0.000 0.000 0.251 886 L C -0.112 176.664 176.870 -0.157 0.000 1.548 886 L CA -0.658 54.090 54.840 -0.154 0.000 1.643 886 L CB 0.675 42.638 42.059 -0.160 0.000 2.174 886 L HN 0.268 nan 8.230 nan 0.000 0.585 887 D N -0.756 119.559 120.400 -0.141 0.000 2.341 887 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 887 D C 0.110 176.329 176.300 -0.135 0.000 1.106 887 D CA -0.075 53.861 54.000 -0.108 0.000 0.905 887 D CB 1.517 42.266 40.800 -0.085 0.000 1.202 887 D HN 0.466 nan 8.370 nan 0.000 0.426 888 c N 2.183 120.760 118.600 -0.038 0.000 2.551 888 c HA 0.070 4.640 4.570 -0.000 0.000 0.284 888 c C 1.308 175.431 174.090 0.054 0.000 1.329 888 c CA -0.124 56.235 56.329 0.049 0.000 1.683 888 c CB -1.301 41.329 42.510 0.200 0.000 1.730 888 c HN 0.546 nan 8.230 nan 0.000 0.591 889 E N 0.758 120.936 120.200 -0.036 0.000 3.582 889 E HA 0.211 4.561 4.350 -0.000 0.000 0.217 889 E C 0.611 177.170 176.600 -0.068 0.000 1.092 889 E CA -0.042 56.366 56.400 0.013 0.000 1.365 889 E CB 0.001 29.724 29.700 0.038 0.000 1.278 889 E HN 0.395 nan 8.360 nan 0.000 0.439 890 I N 0.494 120.921 120.570 -0.239 0.000 4.327 890 I HA 0.063 4.233 4.170 -0.000 0.000 0.331 890 I C 0.812 176.847 176.117 -0.137 0.000 1.348 890 I CA 0.066 61.223 61.300 -0.238 0.000 1.152 890 I CB -0.508 37.269 38.000 -0.371 0.000 1.151 890 I HN 0.246 nan 8.210 nan 0.000 0.410 891 F N 2.231 122.294 119.950 0.189 0.000 2.074 891 F HA -0.009 4.518 4.527 -0.000 0.000 0.293 891 F C 2.025 177.917 175.800 0.152 0.000 1.116 891 F CA 0.979 59.123 58.000 0.239 0.000 1.212 891 F CB -0.814 38.302 39.000 0.194 0.000 0.998 891 F HN 0.052 nan 8.300 nan 0.000 0.471 892 E N 0.827 121.221 120.200 0.323 0.000 2.357 892 E HA 0.204 4.553 4.350 -0.000 0.000 0.194 892 E C 0.230 176.908 176.600 0.130 0.000 1.177 892 E CA -0.190 56.329 56.400 0.198 0.000 0.998 892 E CB -0.304 29.507 29.700 0.185 0.000 1.106 892 E HN 0.219 nan 8.360 nan 0.000 0.470 893 A N 2.661 125.556 122.820 0.125 0.000 2.388 893 A HA 0.186 4.506 4.320 -0.000 0.000 0.257 893 A C -1.736 175.869 177.584 0.035 0.000 1.095 893 A CA -1.258 50.819 52.037 0.067 0.000 0.791 893 A CB 0.128 19.164 19.000 0.060 0.000 1.029 893 A HN -0.011 nan 8.150 nan 0.000 0.489 894 P HA 0.120 nan 4.420 nan 0.000 0.254 894 P C -0.329 176.898 177.300 -0.121 0.000 1.631 894 P CA 0.536 63.616 63.100 -0.034 0.000 0.861 894 P CB 0.482 32.168 31.700 -0.023 0.000 1.663 895 E N 0.649 120.730 120.200 -0.198 0.000 2.520 895 E HA 0.088 4.438 4.350 -0.000 0.000 0.201 895 E C -0.863 175.374 176.600 -0.604 0.000 0.894 895 E CA 0.421 56.489 56.400 -0.555 0.000 1.161 895 E CB -1.068 28.172 29.700 -0.767 0.000 1.137 895 E HN 0.231 nan 8.360 nan 0.000 0.510 896 P HA -0.153 nan 4.420 nan 0.000 0.216 896 P C 1.363 178.680 177.300 0.027 0.000 1.153 896 P CA 1.503 64.621 63.100 0.030 0.000 0.848 896 P CB 0.059 32.004 31.700 0.409 0.000 0.787 897 M N -0.862 118.748 119.600 0.017 0.000 2.254 897 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 897 M C 1.511 177.826 176.300 0.026 0.000 1.066 897 M CA 1.681 57.001 55.300 0.034 0.000 1.123 897 M CB -1.113 31.514 32.600 0.046 0.000 1.388 897 M HN -0.104 nan 8.290 nan 0.000 0.425 898 T N 0.038 114.573 114.554 -0.031 0.000 3.194 898 T HA 0.039 4.389 4.350 -0.000 0.000 0.251 898 T C 1.282 175.982 174.700 -0.001 0.000 1.132 898 T CA 0.578 62.665 62.100 -0.021 0.000 1.028 898 T CB -0.022 68.794 68.868 -0.087 0.000 0.976 898 T HN 0.220 nan 8.240 nan 0.000 0.535 899 M N 0.543 120.139 119.600 -0.007 0.000 2.571 899 M HA 0.530 5.010 4.480 -0.000 0.000 0.259 899 M C 1.960 178.310 176.300 0.083 0.000 1.205 899 M CA 0.284 55.614 55.300 0.049 0.000 1.138 899 M CB -0.022 32.622 32.600 0.074 0.000 1.329 899 M HN 0.117 nan 8.290 nan 0.000 0.503 900 A N -0.338 122.528 122.820 0.075 0.000 1.984 900 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 900 A C 1.861 179.484 177.584 0.064 0.000 1.173 900 A CA 0.792 52.864 52.037 0.057 0.000 0.673 900 A CB -0.713 18.317 19.000 0.049 0.000 0.830 900 A HN 0.452 nan 8.150 nan 0.000 0.453 901 L N 0.018 121.305 121.223 0.107 0.000 2.141 901 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 901 L C 2.353 179.320 176.870 0.162 0.000 1.094 901 L CA 2.198 57.125 54.840 0.145 0.000 0.763 901 L CB -0.399 41.785 42.059 0.210 0.000 0.908 901 L HN 0.270 nan 8.230 nan 0.000 0.437 902 S N -1.460 114.391 115.700 0.252 0.000 2.402 902 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 902 S C 1.890 176.517 174.600 0.045 0.000 1.021 902 S CA 1.203 59.601 58.200 0.331 0.000 0.974 902 S CB -0.222 63.256 63.200 0.464 0.000 0.800 902 S HN 0.326 nan 8.310 nan 0.000 0.484 903 V N 1.851 121.766 119.914 0.003 0.000 2.255 903 V HA -0.106 4.014 4.120 -0.000 0.000 0.243 903 V C 2.237 178.299 176.094 -0.054 0.000 1.038 903 V CA 1.419 63.682 62.300 -0.063 0.000 1.008 903 V CB -0.800 30.982 31.823 -0.069 0.000 0.645 903 V HN 0.352 nan 8.190 nan 0.000 0.449 904 L N 0.314 121.518 121.223 -0.033 0.000 2.010 904 L HA -0.217 4.123 4.340 -0.000 0.000 0.219 904 L C 2.384 179.225 176.870 -0.047 0.000 1.077 904 L CA 2.139 56.959 54.840 -0.033 0.000 0.773 904 L CB -0.679 41.373 42.059 -0.011 0.000 0.892 904 L HN 0.144 nan 8.230 nan 0.000 0.436 905 V N -0.923 118.942 119.914 -0.081 0.000 2.287 905 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 905 V C 2.446 178.490 176.094 -0.084 0.000 1.053 905 V CA 2.329 64.552 62.300 -0.129 0.000 1.027 905 V CB -1.097 30.504 31.823 -0.371 0.000 0.646 905 V HN 0.588 nan 8.190 nan 0.000 0.447 906 T N 0.100 114.605 114.554 -0.082 0.000 2.833 906 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 906 T C 1.775 176.456 174.700 -0.032 0.000 1.054 906 T CA 1.514 63.577 62.100 -0.062 0.000 1.135 906 T CB -0.232 68.559 68.868 -0.130 0.000 0.869 906 T HN 0.346 nan 8.240 nan 0.000 0.466 907 I N 0.871 121.427 120.570 -0.023 0.000 2.163 907 I HA -0.103 4.067 4.170 -0.000 0.000 0.240 907 I C 2.624 178.757 176.117 0.028 0.000 1.081 907 I CA 1.055 62.362 61.300 0.012 0.000 1.353 907 I CB -0.296 37.717 38.000 0.023 0.000 1.054 907 I HN 0.098 nan 8.210 nan 0.000 0.407 908 E N 0.428 120.645 120.200 0.027 0.000 2.265 908 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 908 E C 2.024 178.714 176.600 0.151 0.000 0.996 908 E CA 0.988 57.449 56.400 0.101 0.000 0.832 908 E CB -0.161 29.563 29.700 0.040 0.000 0.756 908 E HN 0.419 nan 8.360 nan 0.000 0.491 909 M N -0.894 118.740 119.600 0.057 0.000 2.562 909 M HA -0.035 4.445 4.480 -0.000 0.000 0.257 909 M C 1.784 178.091 176.300 0.012 0.000 1.099 909 M CA 0.441 55.758 55.300 0.028 0.000 1.099 909 M CB -0.532 32.072 32.600 0.007 0.000 1.427 909 M HN 0.130 nan 8.290 nan 0.000 0.489 910 C N -1.005 118.307 119.300 0.021 0.000 2.700 910 C HA 0.095 4.555 4.460 -0.000 0.000 0.297 910 C C 2.370 177.364 174.990 0.006 0.000 1.293 910 C CA -0.023 58.999 59.018 0.007 0.000 1.756 910 C CB -0.824 26.920 27.740 0.006 0.000 2.210 910 C HN 0.595 nan 8.230 nan 0.000 0.553 911 N N 1.352 120.082 118.700 0.049 0.000 2.331 911 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 911 N C 1.680 177.205 175.510 0.024 0.000 1.019 911 N CA 0.962 54.057 53.050 0.075 0.000 0.881 911 N CB 0.016 38.593 38.487 0.150 0.000 0.972 911 N HN 0.499 nan 8.380 nan 0.000 0.435 912 A N 0.576 123.324 122.820 -0.120 0.000 2.066 912 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 912 A C 1.946 179.385 177.584 -0.243 0.000 1.157 912 A CA 0.585 52.323 52.037 -0.500 0.000 0.670 912 A CB -0.197 18.479 19.000 -0.540 0.000 0.804 912 A HN 0.270 nan 8.150 nan 0.000 0.453 913 L N -1.017 120.136 121.223 -0.116 0.000 2.375 913 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 913 L C 1.838 178.675 176.870 -0.055 0.000 1.108 913 L CA 0.733 55.530 54.840 -0.072 0.000 0.830 913 L CB -0.410 41.626 42.059 -0.037 0.000 0.959 913 L HN 0.446 nan 8.230 nan 0.000 0.457 914 N N -0.693 117.984 118.700 -0.038 0.000 2.409 914 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 914 N C 1.295 176.814 175.510 0.015 0.000 1.032 914 N CA 0.488 53.535 53.050 -0.005 0.000 0.898 914 N CB 0.175 38.666 38.487 0.007 0.000 0.971 914 N HN 0.105 nan 8.380 nan 0.000 0.441 915 S N 0.583 116.273 115.700 -0.017 0.000 2.634 915 S HA 0.218 4.688 4.470 -0.000 0.000 0.221 915 S C 1.335 175.917 174.600 -0.030 0.000 0.952 915 S CA -0.093 58.109 58.200 0.004 0.000 0.930 915 S CB 0.130 63.324 63.200 -0.009 0.000 0.780 915 S HN 0.269 nan 8.310 nan 0.000 0.498 916 L N 1.001 122.198 121.223 -0.043 0.000 2.610 916 L HA 0.207 4.547 4.340 -0.000 0.000 0.232 916 L C 0.742 177.591 176.870 -0.035 0.000 1.149 916 L CA 0.238 55.050 54.840 -0.047 0.000 0.872 916 L CB 0.176 42.199 42.059 -0.060 0.000 0.992 916 L HN 0.202 nan 8.230 nan 0.000 0.447 917 S N -1.738 113.952 115.700 -0.017 0.000 2.606 917 S HA 0.056 4.526 4.470 -0.000 0.000 0.290 917 S C 0.196 174.805 174.600 0.014 0.000 1.103 917 S CA -0.722 57.471 58.200 -0.011 0.000 0.870 917 S CB 1.168 64.357 63.200 -0.019 0.000 1.077 917 S HN 0.257 nan 8.310 nan 0.000 0.448 918 E N 2.462 122.667 120.200 0.009 0.000 1.993 918 E HA -0.007 4.343 4.350 -0.000 0.000 0.198 918 E C 0.087 176.713 176.600 0.043 0.000 0.999 918 E CA 1.063 57.476 56.400 0.022 0.000 0.850 918 E CB -0.077 29.622 29.700 -0.001 0.000 0.796 918 E HN 0.655 nan 8.360 nan 0.000 0.482 919 N N 1.514 120.233 118.700 0.033 0.000 3.324 919 N HA 0.097 4.837 4.740 -0.000 0.000 0.302 919 N C -1.008 174.520 175.510 0.030 0.000 1.360 919 N CA 0.183 53.259 53.050 0.044 0.000 1.190 919 N CB 1.134 39.634 38.487 0.023 0.000 1.462 919 N HN 0.161 nan 8.380 nan 0.000 0.532 920 Q N 0.324 120.144 119.800 0.034 0.000 2.263 920 Q HA 0.268 4.608 4.340 -0.000 0.000 0.266 920 Q C -0.714 175.300 176.000 0.024 0.000 1.002 920 Q CA -0.354 55.462 55.803 0.021 0.000 0.790 920 Q CB 2.245 30.980 28.738 -0.005 0.000 1.272 920 Q HN 0.134 nan 8.270 nan 0.000 0.435 921 S N 3.114 118.837 115.700 0.039 0.000 2.525 921 S HA 0.028 4.498 4.470 -0.000 0.000 0.285 921 S C 1.609 176.197 174.600 -0.019 0.000 1.283 921 S CA -0.268 57.951 58.200 0.031 0.000 1.072 921 S CB 0.379 63.612 63.200 0.055 0.000 0.867 921 S HN 0.441 nan 8.310 nan 0.000 0.492 922 L N 2.877 124.080 121.223 -0.033 0.000 2.189 922 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 922 L C 2.359 179.157 176.870 -0.120 0.000 1.097 922 L CA 1.467 56.259 54.840 -0.080 0.000 0.764 922 L CB -0.588 41.434 42.059 -0.062 0.000 0.900 922 L HN 0.655 nan 8.230 nan 0.000 0.436 923 M N -0.865 118.692 119.600 -0.071 0.000 2.156 923 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 923 M C 2.425 178.676 176.300 -0.083 0.000 1.067 923 M CA 1.474 56.734 55.300 -0.066 0.000 1.131 923 M CB -0.525 32.062 32.600 -0.020 0.000 1.368 923 M HN 0.157 nan 8.290 nan 0.000 0.416 924 R N 0.249 120.715 120.500 -0.057 0.000 2.090 924 R HA 0.041 4.381 4.340 -0.000 0.000 0.228 924 R C 0.862 177.105 176.300 -0.095 0.000 1.110 924 R CA 1.096 57.168 56.100 -0.048 0.000 0.973 924 R CB -0.312 29.981 30.300 -0.012 0.000 0.869 924 R HN 0.342 nan 8.270 nan 0.000 0.440 925 M N 2.151 121.675 119.600 -0.128 0.000 2.131 925 M HA 0.371 4.851 4.480 -0.000 0.000 0.345 925 M C -2.268 173.845 176.300 -0.312 0.000 1.060 925 M CA -2.466 52.731 55.300 -0.172 0.000 1.011 925 M CB 1.511 34.044 32.600 -0.113 0.000 1.328 925 M HN -0.147 nan 8.290 nan 0.000 0.396 926 P HA -0.070 nan 4.420 nan 0.000 0.255 926 P C -2.321 174.472 177.300 -0.844 0.000 1.141 926 P CA -0.267 62.171 63.100 -1.104 0.000 0.767 926 P CB -0.006 30.851 31.700 -1.405 0.000 0.726 927 P HA -0.084 nan 4.420 nan 0.000 0.236 927 P C 0.078 177.344 177.300 -0.055 0.000 1.172 927 P CA 0.796 63.758 63.100 -0.230 0.000 0.759 927 P CB -0.315 31.332 31.700 -0.089 0.000 0.843 928 W N -3.555 117.758 121.300 0.020 0.000 3.132 928 W HA 0.338 4.998 4.660 -0.000 0.000 0.364 928 W C 0.819 177.360 176.519 0.036 0.000 1.129 928 W CA -0.226 57.135 57.345 0.026 0.000 1.815 928 W CB -1.306 28.166 29.460 0.020 0.000 1.099 928 W HN -0.373 nan 8.180 nan 0.000 0.605 929 V N 1.920 121.819 119.914 -0.026 0.000 2.343 929 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 929 V C 1.238 177.395 176.094 0.105 0.000 1.051 929 V CA 1.853 64.173 62.300 0.034 0.000 1.036 929 V CB -0.696 31.088 31.823 -0.064 0.000 0.654 929 V HN 0.311 nan 8.190 nan 0.000 0.451 930 N N 1.160 119.920 118.700 0.101 0.000 2.767 930 N HA 0.114 4.854 4.740 -0.000 0.000 0.238 930 N C 0.844 176.480 175.510 0.209 0.000 1.083 930 N CA -0.140 53.002 53.050 0.153 0.000 0.964 930 N CB 0.784 39.347 38.487 0.127 0.000 1.252 930 N HN 0.131 nan 8.380 nan 0.000 0.512 931 I N 1.132 121.848 120.570 0.242 0.000 2.335 931 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 931 I C 1.374 177.609 176.117 0.197 0.000 1.129 931 I CA 0.860 62.283 61.300 0.205 0.000 1.402 931 I CB -0.728 37.377 38.000 0.175 0.000 1.069 931 I HN 0.517 nan 8.210 nan 0.000 0.424 932 W N 0.409 121.738 121.300 0.048 0.000 2.465 932 W HA -0.105 4.555 4.660 -0.000 0.000 0.268 932 W C 2.340 178.904 176.519 0.075 0.000 1.242 932 W CA 0.402 57.787 57.345 0.066 0.000 1.248 932 W CB -0.631 28.901 29.460 0.120 0.000 1.118 932 W HN 0.086 nan 8.180 nan 0.000 0.587 933 L N -0.342 121.038 121.223 0.261 0.000 2.127 933 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 933 L C 2.024 178.936 176.870 0.070 0.000 1.080 933 L CA 1.753 56.672 54.840 0.131 0.000 0.768 933 L CB -0.966 41.141 42.059 0.081 0.000 0.924 933 L HN -0.079 nan 8.230 nan 0.000 0.444 934 L N -0.487 120.784 121.223 0.081 0.000 1.976 934 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 934 L C 2.518 179.397 176.870 0.015 0.000 1.071 934 L CA 1.498 56.371 54.840 0.055 0.000 0.746 934 L CB -1.577 40.531 42.059 0.081 0.000 0.890 934 L HN 0.429 nan 8.230 nan 0.000 0.432 935 G N -1.333 107.459 108.800 -0.013 0.000 2.479 935 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 935 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 935 G C 1.807 176.674 174.900 -0.055 0.000 1.115 935 G CA 1.062 46.121 45.100 -0.068 0.000 0.757 935 G HN 0.361 nan 8.290 nan 0.000 0.560 936 S N 0.105 115.797 115.700 -0.013 0.000 2.357 936 S HA -0.004 4.466 4.470 -0.000 0.000 0.221 936 S C 2.381 176.967 174.600 -0.023 0.000 1.031 936 S CA 0.762 58.959 58.200 -0.004 0.000 0.982 936 S CB -0.243 62.981 63.200 0.039 0.000 0.853 936 S HN 0.371 nan 8.310 nan 0.000 0.458 937 I N 1.170 121.730 120.570 -0.017 0.000 2.361 937 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 937 I C 2.432 178.530 176.117 -0.031 0.000 1.133 937 I CA 0.632 61.919 61.300 -0.021 0.000 1.413 937 I CB -0.596 37.400 38.000 -0.007 0.000 1.073 937 I HN 0.427 nan 8.210 nan 0.000 0.424 938 C N 0.368 119.649 119.300 -0.031 0.000 2.436 938 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 938 C C 2.730 177.680 174.990 -0.066 0.000 1.241 938 C CA 0.350 59.342 59.018 -0.044 0.000 1.721 938 C CB -0.949 26.769 27.740 -0.037 0.000 2.043 938 C HN 0.483 nan 8.230 nan 0.000 0.472 939 L N 1.150 122.338 121.223 -0.058 0.000 2.187 939 L HA -0.113 4.227 4.340 -0.000 0.000 0.213 939 L C 2.435 179.275 176.870 -0.050 0.000 1.100 939 L CA 1.817 56.625 54.840 -0.054 0.000 0.765 939 L CB -0.608 41.421 42.059 -0.051 0.000 0.904 939 L HN 0.268 nan 8.230 nan 0.000 0.437 940 S N -1.351 114.315 115.700 -0.057 0.000 2.362 940 S HA -0.077 4.393 4.470 -0.000 0.000 0.221 940 S C 1.880 176.456 174.600 -0.039 0.000 1.032 940 S CA 1.234 59.405 58.200 -0.048 0.000 0.973 940 S CB -0.153 63.011 63.200 -0.061 0.000 0.849 940 S HN 0.341 nan 8.310 nan 0.000 0.465 941 M N 2.014 121.542 119.600 -0.121 0.000 2.117 941 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 941 M C 2.551 178.491 176.300 -0.600 0.000 1.065 941 M CA 1.565 56.690 55.300 -0.291 0.000 1.114 941 M CB -1.822 30.621 32.600 -0.262 0.000 1.361 941 M HN 0.483 nan 8.290 nan 0.000 0.408 942 S N 0.393 115.864 115.700 -0.381 0.000 2.383 942 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 942 S C 1.981 176.491 174.600 -0.151 0.000 1.030 942 S CA 1.117 59.142 58.200 -0.291 0.000 1.002 942 S CB -0.937 62.197 63.200 -0.110 0.000 0.829 942 S HN 0.518 nan 8.310 nan 0.000 0.467 943 L N 0.370 121.583 121.223 -0.017 0.000 2.376 943 L HA 0.053 4.393 4.340 -0.000 0.000 0.219 943 L C 2.668 179.651 176.870 0.188 0.000 1.133 943 L CA 1.105 56.044 54.840 0.166 0.000 0.816 943 L CB -0.460 41.816 42.059 0.363 0.000 0.933 943 L HN 0.415 nan 8.230 nan 0.000 0.449 944 H N -0.502 118.547 119.070 -0.034 0.000 2.482 944 H HA -0.039 4.517 4.556 -0.000 0.000 0.286 944 H C 1.897 177.222 175.328 -0.005 0.000 1.017 944 H CA 1.253 57.274 56.048 -0.045 0.000 1.322 944 H CB 0.090 29.831 29.762 -0.035 0.000 1.426 944 H HN 0.236 nan 8.280 nan 0.000 0.546 945 F N -1.166 118.691 119.950 -0.155 0.000 2.179 945 F HA -0.071 4.456 4.527 -0.000 0.000 0.292 945 F C 2.169 177.816 175.800 -0.255 0.000 1.089 945 F CA 0.076 57.906 58.000 -0.284 0.000 1.295 945 F CB -0.093 38.678 39.000 -0.381 0.000 1.041 945 F HN 0.155 nan 8.300 nan 0.000 0.487 946 L N 0.761 121.966 121.223 -0.030 0.000 2.187 946 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 946 L C 1.692 178.493 176.870 -0.114 0.000 1.100 946 L CA 1.435 56.233 54.840 -0.069 0.000 0.765 946 L CB -0.558 41.477 42.059 -0.039 0.000 0.904 946 L HN 0.189 nan 8.230 nan 0.000 0.437 947 I N -1.630 118.788 120.570 -0.254 0.000 3.680 947 I HA -0.076 4.094 4.170 -0.000 0.000 0.306 947 I C 1.017 176.940 176.117 -0.323 0.000 1.260 947 I CA 0.235 61.251 61.300 -0.474 0.000 1.201 947 I CB 0.066 37.457 38.000 -1.015 0.000 1.009 947 I HN 0.299 nan 8.210 nan 0.000 0.467 948 L N -1.678 119.467 121.223 -0.130 0.000 2.738 948 L HA 0.080 4.420 4.340 -0.000 0.000 0.175 948 L C 1.849 178.745 176.870 0.044 0.000 1.125 948 L CA -0.096 54.711 54.840 -0.055 0.000 0.857 948 L CB -0.908 41.132 42.059 -0.033 0.000 1.300 948 L HN -0.023 nan 8.230 nan 0.000 0.499 949 Y N 1.613 121.837 120.300 -0.126 0.000 1.974 949 Y HA -0.207 4.343 4.550 -0.000 0.000 0.255 949 Y C 1.428 177.285 175.900 -0.072 0.000 1.125 949 Y CA 0.654 58.695 58.100 -0.099 0.000 1.085 949 Y CB -1.106 37.301 38.460 -0.088 0.000 0.957 949 Y HN -0.220 nan 8.280 nan 0.000 0.484 950 V N 2.876 122.871 119.914 0.135 0.000 2.500 950 V HA -0.163 3.957 4.120 -0.000 0.000 0.267 950 V C 1.168 177.279 176.094 0.028 0.000 0.977 950 V CA 0.676 63.011 62.300 0.059 0.000 1.151 950 V CB -0.744 31.104 31.823 0.040 0.000 1.013 950 V HN 0.405 nan 8.190 nan 0.000 0.467 951 D N 6.557 126.965 120.400 0.013 0.000 2.191 951 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 951 D C -0.506 175.804 176.300 0.017 0.000 1.007 951 D CA 2.041 56.042 54.000 0.002 0.000 0.865 951 D CB -0.551 40.244 40.800 -0.009 0.000 0.929 951 D HN 0.476 nan 8.370 nan 0.000 0.447 952 P HA -0.120 nan 4.420 nan 0.000 0.223 952 P C 0.934 178.268 177.300 0.057 0.000 1.140 952 P CA 0.947 64.065 63.100 0.029 0.000 0.783 952 P CB 0.007 31.723 31.700 0.027 0.000 0.759 953 L N -0.449 120.816 121.223 0.070 0.000 2.276 953 L HA 0.141 4.480 4.340 -0.000 0.000 0.194 953 L C -0.588 176.418 176.870 0.227 0.000 1.099 953 L CA 0.646 55.573 54.840 0.145 0.000 0.800 953 L CB -2.035 40.044 42.059 0.033 0.000 0.994 953 L HN -0.084 nan 8.230 nan 0.000 0.475 954 P HA -0.212 nan 4.420 nan 0.000 0.234 954 P C 1.520 178.879 177.300 0.099 0.000 1.162 954 P CA 1.479 64.632 63.100 0.088 0.000 0.759 954 P CB -0.017 31.679 31.700 -0.007 0.000 0.813 955 M N 0.466 120.114 119.600 0.080 0.000 2.123 955 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 955 M C 2.167 178.480 176.300 0.021 0.000 1.069 955 M CA 1.807 57.129 55.300 0.038 0.000 1.133 955 M CB -0.460 32.151 32.600 0.019 0.000 1.356 955 M HN -0.159 nan 8.290 nan 0.000 0.415 956 I N -2.647 117.921 120.570 -0.004 0.000 2.500 956 I HA -0.093 4.077 4.170 -0.000 0.000 0.252 956 I C 1.340 177.333 176.117 -0.207 0.000 1.142 956 I CA 1.146 62.366 61.300 -0.135 0.000 1.451 956 I CB -0.791 37.060 38.000 -0.248 0.000 1.093 956 I HN 0.132 nan 8.210 nan 0.000 0.430 957 F N 1.798 121.729 119.950 -0.032 0.000 2.664 957 F HA 0.221 4.748 4.527 -0.000 0.000 0.296 957 F C 0.729 176.516 175.800 -0.021 0.000 1.125 957 F CA 0.105 58.084 58.000 -0.035 0.000 1.444 957 F CB -0.100 38.846 39.000 -0.091 0.000 1.114 957 F HN -0.039 nan 8.300 nan 0.000 0.576 958 K N 1.437 121.916 120.400 0.130 0.000 3.619 958 K HA -0.176 4.144 4.320 -0.000 0.000 0.275 958 K C -1.031 175.608 176.600 0.065 0.000 0.993 958 K CA 0.181 56.512 56.287 0.074 0.000 0.787 958 K CB -2.016 30.520 32.500 0.060 0.000 1.431 958 K HN 0.282 nan 8.250 nan 0.000 0.451 959 L N 0.019 121.270 121.223 0.046 0.000 2.376 959 L HA 0.569 4.909 4.340 -0.000 0.000 0.258 959 L C -0.490 176.352 176.870 -0.047 0.000 1.013 959 L CA -1.047 53.788 54.840 -0.008 0.000 0.822 959 L CB 2.417 44.459 42.059 -0.028 0.000 1.388 959 L HN 0.117 nan 8.230 nan 0.000 0.413 960 K N 1.401 121.752 120.400 -0.081 0.000 2.565 960 K HA 0.677 4.996 4.320 -0.000 0.000 0.249 960 K C -0.632 175.894 176.600 -0.123 0.000 0.958 960 K CA -0.506 55.721 56.287 -0.100 0.000 0.806 960 K CB 1.985 34.430 32.500 -0.092 0.000 1.194 960 K HN 0.717 nan 8.250 nan 0.000 0.434 961 A N 4.397 127.130 122.820 -0.146 0.000 2.624 961 A HA 0.074 4.394 4.320 -0.000 0.000 0.231 961 A C -0.262 177.246 177.584 -0.126 0.000 1.034 961 A CA 0.465 52.403 52.037 -0.166 0.000 0.754 961 A CB -0.182 18.645 19.000 -0.289 0.000 0.953 961 A HN 0.675 nan 8.150 nan 0.000 0.509 962 L N 1.538 122.712 121.223 -0.082 0.000 2.334 962 L HA 0.503 4.843 4.340 -0.000 0.000 0.273 962 L C 0.092 176.966 176.870 0.006 0.000 1.013 962 L CA -0.990 53.859 54.840 0.016 0.000 0.816 962 L CB 1.472 43.628 42.059 0.162 0.000 1.278 962 L HN 0.734 nan 8.230 nan 0.000 0.431 963 D N 0.121 120.565 120.400 0.073 0.000 2.487 963 D HA 0.348 4.988 4.640 -0.000 0.000 0.262 963 D C 1.073 177.474 176.300 0.168 0.000 1.130 963 D CA -0.504 53.533 54.000 0.061 0.000 1.038 963 D CB 1.457 42.284 40.800 0.045 0.000 1.142 963 D HN 0.376 nan 8.370 nan 0.000 0.575 964 L N 0.090 121.397 121.223 0.140 0.000 2.021 964 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 964 L C 2.235 179.222 176.870 0.194 0.000 1.074 964 L CA 1.773 56.724 54.840 0.185 0.000 0.760 964 L CB -0.814 41.318 42.059 0.122 0.000 0.889 964 L HN 0.488 nan 8.230 nan 0.000 0.433 965 T N -1.003 113.652 114.554 0.169 0.000 2.721 965 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 965 T C 1.775 176.640 174.700 0.275 0.000 1.038 965 T CA 1.846 64.058 62.100 0.187 0.000 1.145 965 T CB -0.219 68.746 68.868 0.163 0.000 0.858 965 T HN 0.502 nan 8.240 nan 0.000 0.459 966 Q N -1.161 118.831 119.800 0.320 0.000 2.387 966 Q HA 0.155 4.495 4.340 -0.000 0.000 0.212 966 Q C 2.100 178.273 176.000 0.287 0.000 0.925 966 Q CA 0.132 56.169 55.803 0.390 0.000 0.901 966 Q CB -0.141 28.853 28.738 0.426 0.000 1.020 966 Q HN 0.567 nan 8.270 nan 0.000 0.545 967 W N 1.835 123.193 121.300 0.097 0.000 2.358 967 W HA -0.139 4.521 4.660 -0.000 0.000 0.303 967 W C 1.334 177.887 176.519 0.057 0.000 1.208 967 W CA 1.074 58.465 57.345 0.077 0.000 1.274 967 W CB 0.029 29.531 29.460 0.070 0.000 1.138 967 W HN 0.152 nan 8.180 nan 0.000 0.515 968 L N 0.440 121.731 121.223 0.114 0.000 2.127 968 L HA -0.300 4.040 4.340 -0.000 0.000 0.211 968 L C 2.561 179.357 176.870 -0.124 0.000 1.089 968 L CA 1.311 56.144 54.840 -0.012 0.000 0.757 968 L CB -0.769 41.333 42.059 0.071 0.000 0.899 968 L HN 0.050 nan 8.230 nan 0.000 0.434 969 M N -0.324 119.203 119.600 -0.121 0.000 2.117 969 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 969 M C 2.092 178.208 176.300 -0.306 0.000 1.065 969 M CA 1.796 56.945 55.300 -0.251 0.000 1.114 969 M CB -0.351 32.004 32.600 -0.408 0.000 1.361 969 M HN -0.036 nan 8.290 nan 0.000 0.408 970 V N 0.164 119.876 119.914 -0.336 0.000 2.343 970 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 970 V C 2.404 178.273 176.094 -0.376 0.000 1.051 970 V CA 1.774 63.845 62.300 -0.382 0.000 1.036 970 V CB -0.976 30.517 31.823 -0.550 0.000 0.654 970 V HN 0.520 nan 8.190 nan 0.000 0.451 971 L N -0.473 120.489 121.223 -0.436 0.000 2.191 971 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 971 L C 2.315 179.084 176.870 -0.168 0.000 1.103 971 L CA 1.554 56.216 54.840 -0.297 0.000 0.769 971 L CB -0.548 41.356 42.059 -0.258 0.000 0.908 971 L HN 0.326 nan 8.230 nan 0.000 0.438 972 K N -0.671 119.631 120.400 -0.163 0.000 2.393 972 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 972 K C 1.452 177.997 176.600 -0.091 0.000 1.026 972 K CA 0.171 56.396 56.287 -0.104 0.000 1.064 972 K CB 0.558 33.002 32.500 -0.094 0.000 0.833 972 K HN 0.181 nan 8.250 nan 0.000 0.521 973 I N -0.230 120.266 120.570 -0.124 0.000 3.790 973 I HA 0.016 4.186 4.170 -0.000 0.000 0.305 973 I C 1.494 177.600 176.117 -0.019 0.000 1.253 973 I CA 0.969 62.213 61.300 -0.093 0.000 1.355 973 I CB 0.140 38.039 38.000 -0.167 0.000 1.137 973 I HN -0.095 nan 8.210 nan 0.000 0.435 974 S N 0.724 116.398 115.700 -0.043 0.000 2.460 974 S HA 0.124 4.594 4.470 -0.000 0.000 0.226 974 S C 1.911 176.529 174.600 0.030 0.000 1.057 974 S CA 0.052 58.260 58.200 0.013 0.000 0.948 974 S CB 0.091 63.260 63.200 -0.053 0.000 0.822 974 S HN 0.190 nan 8.310 nan 0.000 0.512 975 L N 2.826 124.039 121.223 -0.018 0.000 2.089 975 L HA -0.074 4.266 4.340 -0.000 0.000 0.213 975 L C -0.881 175.985 176.870 -0.007 0.000 1.079 975 L CA 1.844 56.674 54.840 -0.016 0.000 0.758 975 L CB -2.082 39.959 42.059 -0.030 0.000 0.891 975 L HN 0.252 nan 8.230 nan 0.000 0.433 976 P HA -0.097 nan 4.420 nan 0.000 0.239 976 P C 1.810 179.050 177.300 -0.099 0.000 1.184 976 P CA 0.638 63.729 63.100 -0.016 0.000 0.760 976 P CB 0.005 31.727 31.700 0.036 0.000 0.884 977 V N 0.414 120.277 119.914 -0.085 0.000 2.667 977 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 977 V C 1.805 177.822 176.094 -0.128 0.000 1.065 977 V CA 1.029 63.218 62.300 -0.184 0.000 1.083 977 V CB -0.770 31.017 31.823 -0.061 0.000 0.692 977 V HN -0.057 nan 8.190 nan 0.000 0.468 978 I N 1.129 121.658 120.570 -0.069 0.000 3.551 978 I HA 0.078 4.248 4.170 -0.000 0.000 0.307 978 I C 1.616 177.701 176.117 -0.053 0.000 1.215 978 I CA 1.181 62.453 61.300 -0.047 0.000 1.195 978 I CB -1.566 36.420 38.000 -0.024 0.000 0.998 978 I HN 0.416 nan 8.210 nan 0.000 0.510 979 G N 0.217 108.967 108.800 -0.085 0.000 2.849 979 G HA2 0.016 3.976 3.960 -0.000 0.000 0.202 979 G HA3 0.016 3.976 3.960 -0.000 0.000 0.202 979 G C 1.223 176.071 174.900 -0.087 0.000 1.138 979 G CA -0.038 45.016 45.100 -0.077 0.000 0.692 979 G HN 0.236 nan 8.290 nan 0.000 0.786 980 L N 1.725 122.852 121.223 -0.159 0.000 1.956 980 L HA -0.028 4.312 4.340 -0.000 0.000 0.216 980 L C 2.077 178.892 176.870 -0.093 0.000 1.073 980 L CA 3.001 57.740 54.840 -0.167 0.000 0.762 980 L CB -0.726 41.135 42.059 -0.331 0.000 0.889 980 L HN 0.258 nan 8.230 nan 0.000 0.433 981 D N -1.426 118.914 120.400 -0.100 0.000 2.218 981 D HA -0.212 4.428 4.640 -0.000 0.000 0.204 981 D C 2.050 178.371 176.300 0.036 0.000 0.976 981 D CA 0.850 54.836 54.000 -0.024 0.000 0.853 981 D CB 0.055 40.842 40.800 -0.021 0.000 0.939 981 D HN 0.487 nan 8.370 nan 0.000 0.481 982 E N -0.180 120.026 120.200 0.009 0.000 2.106 982 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 982 E C 1.844 178.491 176.600 0.078 0.000 0.984 982 E CA 0.794 57.214 56.400 0.033 0.000 0.806 982 E CB -0.122 29.573 29.700 -0.007 0.000 0.750 982 E HN 0.280 nan 8.360 nan 0.000 0.458 983 I N 0.349 120.959 120.570 0.067 0.000 2.406 983 I HA -0.149 4.021 4.170 -0.000 0.000 0.249 983 I C 2.248 178.511 176.117 0.243 0.000 1.122 983 I CA 0.774 62.145 61.300 0.119 0.000 1.431 983 I CB -0.967 37.075 38.000 0.070 0.000 1.087 983 I HN 0.196 nan 8.210 nan 0.000 0.424 984 L N 0.401 121.761 121.223 0.228 0.000 2.093 984 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 984 L C 2.386 179.512 176.870 0.427 0.000 1.085 984 L CA 1.243 56.315 54.840 0.387 0.000 0.755 984 L CB -0.500 41.688 42.059 0.215 0.000 0.904 984 L HN 0.168 nan 8.230 nan 0.000 0.435 985 K N -0.880 119.685 120.400 0.275 0.000 2.362 985 K HA -0.151 4.169 4.320 -0.000 0.000 0.200 985 K C 1.860 178.582 176.600 0.204 0.000 1.046 985 K CA 0.966 57.386 56.287 0.221 0.000 0.952 985 K CB 0.031 32.623 32.500 0.153 0.000 0.753 985 K HN 0.146 nan 8.250 nan 0.000 0.466 986 F N 1.086 121.080 119.950 0.073 0.000 2.317 986 F HA -0.042 4.485 4.527 -0.000 0.000 0.293 986 F C 1.666 177.460 175.800 -0.009 0.000 1.085 986 F CA 0.457 58.471 58.000 0.025 0.000 1.390 986 F CB 0.143 39.152 39.000 0.016 0.000 1.077 986 F HN -0.176 nan 8.300 nan 0.000 0.517 987 I N 1.043 121.638 120.570 0.042 0.000 2.099 987 I HA -0.288 3.882 4.170 -0.000 0.000 0.239 987 I C 2.768 178.632 176.117 -0.422 0.000 1.066 987 I CA 1.660 62.847 61.300 -0.188 0.000 1.324 987 I CB -2.157 35.796 38.000 -0.078 0.000 1.037 987 I HN 0.199 nan 8.210 nan 0.000 0.401 988 A N 1.641 124.172 122.820 -0.481 0.000 1.908 988 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 988 A C 2.261 179.678 177.584 -0.279 0.000 1.181 988 A CA 1.841 53.566 52.037 -0.520 0.000 0.627 988 A CB -0.734 18.087 19.000 -0.299 0.000 0.818 988 A HN 0.603 nan 8.150 nan 0.000 0.445 989 R N -1.434 118.939 120.500 -0.213 0.000 2.325 989 R HA 0.167 4.507 4.340 -0.000 0.000 0.214 989 R C 0.028 176.159 176.300 -0.280 0.000 0.961 989 R CA 0.887 56.872 56.100 -0.191 0.000 1.086 989 R CB -0.176 30.053 30.300 -0.118 0.000 1.037 989 R HN 0.370 nan 8.270 nan 0.000 0.493 990 N N -1.037 117.454 118.700 -0.348 0.000 1.997 990 N HA 0.023 4.763 4.740 -0.000 0.000 0.225 990 N C -1.146 174.314 175.510 -0.083 0.000 1.383 990 N CA 0.034 52.880 53.050 -0.340 0.000 0.770 990 N CB 0.824 38.848 38.487 -0.771 0.000 1.178 990 N HN 0.163 nan 8.380 nan 0.000 0.515 991 Y N 0.238 120.334 120.300 -0.339 0.000 2.998 991 Y HA 0.397 4.947 4.550 -0.000 0.000 0.264 991 Y C 0.647 176.372 175.900 -0.291 0.000 1.092 991 Y CA 0.035 57.964 58.100 -0.286 0.000 1.247 991 Y CB 0.269 38.552 38.460 -0.295 0.000 1.283 991 Y HN -0.106 nan 8.280 nan 0.000 0.605 992 L N -1.275 119.818 121.223 -0.217 0.000 2.604 992 L HA 0.380 4.720 4.340 -0.000 0.000 0.150 992 L C -0.230 176.546 176.870 -0.157 0.000 1.292 992 L CA -0.017 54.698 54.840 -0.209 0.000 0.977 992 L CB 1.164 43.069 42.059 -0.256 0.000 1.943 992 L HN -0.119 nan 8.230 nan 0.000 0.508 993 E N -0.950 119.166 120.200 -0.140 0.000 2.403 993 E HA 0.466 4.816 4.350 -0.000 0.000 0.280 993 E C -1.794 174.753 176.600 -0.088 0.000 1.101 993 E CA -0.007 56.332 56.400 -0.101 0.000 0.856 993 E CB 2.163 31.819 29.700 -0.075 0.000 1.303 993 E HN 0.167 nan 8.360 nan 0.000 0.441 994 G N 0.000 108.759 108.800 -0.069 0.000 5.446 994 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 994 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 994 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925