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 1wpg_1_D 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 0.000 176.151 176.300 -0.249 0.000 1.140 1 M CA 0.000 55.055 55.300 -0.408 0.000 0.988 1 M CB 0.000 32.093 32.600 -0.845 0.000 1.302 2 E N 2.674 122.760 120.200 -0.189 0.000 2.318 2 E HA 0.620 4.971 4.350 0.001 0.000 0.265 2 E C 0.681 177.210 176.600 -0.119 0.000 1.069 2 E CA 0.780 57.129 56.400 -0.085 0.000 0.893 2 E CB 1.409 31.096 29.700 -0.022 0.000 1.076 2 E HN 0.991 nan 8.360 nan 0.000 0.414 3 A N 0.891 123.689 122.820 -0.037 0.000 2.832 3 A HA -0.284 4.036 4.320 0.001 0.000 0.280 3 A C 1.535 178.978 177.584 -0.235 0.000 1.464 3 A CA 1.327 53.288 52.037 -0.126 0.000 0.804 3 A CB -2.059 16.852 19.000 -0.148 0.000 1.020 3 A HN 0.692 nan 8.150 nan 0.000 0.563 4 A N 0.217 122.961 122.820 -0.127 0.000 1.978 4 A HA -0.143 4.177 4.320 0.001 0.000 0.220 4 A C 1.847 179.369 177.584 -0.103 0.000 1.170 4 A CA 1.982 53.941 52.037 -0.131 0.000 0.636 4 A CB -0.941 18.012 19.000 -0.079 0.000 0.810 4 A HN 1.558 nan 8.150 nan 0.000 0.448 5 H N 0.003 119.054 119.070 -0.031 0.000 2.421 5 H HA -0.069 4.488 4.556 0.001 0.000 0.298 5 H C 1.788 177.124 175.328 0.013 0.000 1.087 5 H CA 1.770 57.813 56.048 -0.008 0.000 1.330 5 H CB -0.656 29.117 29.762 0.019 0.000 1.388 5 H HN 0.553 nan 8.280 nan 0.000 0.526 6 S N -0.166 115.103 115.700 -0.718 0.000 2.593 6 S HA 0.142 4.612 4.470 0.001 0.000 0.217 6 S C 0.678 175.173 174.600 -0.176 0.000 0.966 6 S CA -0.508 57.459 58.200 -0.389 0.000 0.914 6 S CB 0.238 63.166 63.200 -0.453 0.000 0.776 6 S HN 0.269 nan 8.310 nan 0.000 0.523 7 K N 2.097 122.404 120.400 -0.154 0.000 2.095 7 K HA 0.478 4.798 4.320 0.001 0.000 0.252 7 K C 0.224 176.802 176.600 -0.036 0.000 0.977 7 K CA -0.424 55.813 56.287 -0.083 0.000 0.900 7 K CB 1.389 33.833 32.500 -0.093 0.000 1.060 7 K HN 0.353 nan 8.250 nan 0.000 0.449 8 S N -0.724 114.967 115.700 -0.015 0.000 2.645 8 S HA 0.023 4.493 4.470 0.001 0.000 0.266 8 S C 1.428 176.035 174.600 0.011 0.000 1.258 8 S CA -0.127 58.076 58.200 0.005 0.000 0.990 8 S CB 1.069 64.273 63.200 0.007 0.000 0.967 8 S HN 0.754 nan 8.310 nan 0.000 0.556 9 T N -0.780 113.787 114.554 0.020 0.000 2.708 9 T HA -0.149 4.201 4.350 0.001 0.000 0.266 9 T C 1.333 176.053 174.700 0.033 0.000 1.037 9 T CA 1.601 63.717 62.100 0.026 0.000 1.146 9 T CB -0.935 67.949 68.868 0.026 0.000 0.865 9 T HN 0.667 nan 8.240 nan 0.000 0.435 10 E N 1.737 121.954 120.200 0.027 0.000 2.070 10 E HA -0.145 4.205 4.350 0.001 0.000 0.197 10 E C 2.343 178.968 176.600 0.041 0.000 1.004 10 E CA 1.826 58.245 56.400 0.031 0.000 0.805 10 E CB -0.357 29.356 29.700 0.021 0.000 0.744 10 E HN 0.744 nan 8.360 nan 0.000 0.451 11 E N -0.298 119.922 120.200 0.032 0.000 2.110 11 E HA -0.179 4.171 4.350 0.001 0.000 0.193 11 E C 2.169 178.807 176.600 0.064 0.000 0.988 11 E CA 1.264 57.688 56.400 0.039 0.000 0.804 11 E CB -0.244 29.466 29.700 0.017 0.000 0.745 11 E HN 0.308 nan 8.360 nan 0.000 0.458 12 C N 0.821 120.151 119.300 0.050 0.000 2.440 12 C HA -0.060 4.401 4.460 0.001 0.000 0.278 12 C C 2.590 177.693 174.990 0.188 0.000 1.295 12 C CA 0.307 59.371 59.018 0.077 0.000 1.738 12 C CB -0.867 26.907 27.740 0.057 0.000 1.987 12 C HN 0.374 nan 8.230 nan 0.000 0.492 13 L N 1.089 122.400 121.223 0.147 0.000 2.072 13 L HA -0.091 4.249 4.340 0.001 0.000 0.205 13 L C 2.910 179.882 176.870 0.170 0.000 1.079 13 L CA 1.527 56.468 54.840 0.169 0.000 0.752 13 L CB -0.781 41.339 42.059 0.102 0.000 0.906 13 L HN 0.295 nan 8.230 nan 0.000 0.436 14 A N -0.777 122.110 122.820 0.111 0.000 1.972 14 A HA -0.288 4.032 4.320 0.001 0.000 0.219 14 A C 2.179 179.793 177.584 0.051 0.000 1.169 14 A CA 1.382 53.462 52.037 0.073 0.000 0.635 14 A CB -0.888 18.138 19.000 0.044 0.000 0.810 14 A HN 0.484 nan 8.150 nan 0.000 0.446 15 Y N -0.856 119.389 120.300 -0.093 0.000 2.207 15 Y HA -0.198 4.352 4.550 0.001 0.000 0.287 15 Y C 1.403 177.104 175.900 -0.332 0.000 1.156 15 Y CA 2.000 59.937 58.100 -0.272 0.000 1.182 15 Y CB -0.210 37.977 38.460 -0.456 0.000 0.979 15 Y HN 0.305 nan 8.280 nan 0.000 0.521 16 F N -0.589 119.476 119.950 0.192 0.000 2.678 16 F HA 0.321 4.848 4.527 0.001 0.000 0.305 16 F C 1.555 177.428 175.800 0.122 0.000 1.090 16 F CA 0.213 58.309 58.000 0.159 0.000 1.272 16 F CB 0.260 39.362 39.000 0.170 0.000 1.060 16 F HN 0.014 nan 8.300 nan 0.000 0.576 17 G N 2.335 111.260 108.800 0.208 0.000 2.371 17 G HA2 -0.136 3.825 3.960 0.001 0.000 0.299 17 G HA3 -0.136 3.825 3.960 0.001 0.000 0.299 17 G C -0.313 174.681 174.900 0.157 0.000 1.014 17 G CA 0.389 45.573 45.100 0.139 0.000 1.097 17 G HN 0.518 nan 8.290 nan 0.000 0.512 18 V N -2.391 117.624 119.914 0.168 0.000 2.914 18 V HA 0.973 5.093 4.120 0.001 0.000 0.314 18 V C 0.218 176.367 176.094 0.092 0.000 1.084 18 V CA -0.286 62.093 62.300 0.132 0.000 0.963 18 V CB 2.096 34.007 31.823 0.147 0.000 1.025 18 V HN 1.480 nan 8.190 nan 0.000 0.432 19 S N 0.962 116.700 115.700 0.063 0.000 2.525 19 S HA 0.429 4.900 4.470 0.001 0.000 0.290 19 S C 0.596 175.210 174.600 0.024 0.000 1.152 19 S CA 0.135 58.358 58.200 0.038 0.000 1.072 19 S CB 1.519 64.734 63.200 0.024 0.000 1.027 19 S HN 1.060 nan 8.310 nan 0.000 0.500 20 E N 1.827 122.031 120.200 0.007 0.000 2.347 20 E HA -0.092 4.259 4.350 0.001 0.000 0.196 20 E C 0.705 177.261 176.600 -0.074 0.000 1.008 20 E CA 1.112 57.500 56.400 -0.021 0.000 0.852 20 E CB -0.163 29.524 29.700 -0.021 0.000 0.783 20 E HN 0.834 nan 8.360 nan 0.000 0.505 21 T N -1.004 113.514 114.554 -0.059 0.000 3.057 21 T HA -0.039 4.311 4.350 0.001 0.000 0.254 21 T C 1.675 176.335 174.700 -0.068 0.000 1.094 21 T CA 1.201 63.247 62.100 -0.090 0.000 1.088 21 T CB 0.336 69.170 68.868 -0.057 0.000 0.934 21 T HN 0.330 nan 8.240 nan 0.000 0.497 22 T N -1.502 113.042 114.554 -0.016 0.000 3.075 22 T HA 0.546 4.896 4.350 0.001 0.000 0.251 22 T C 1.192 175.931 174.700 0.065 0.000 0.979 22 T CA 0.817 62.932 62.100 0.025 0.000 1.033 22 T CB 0.283 69.168 68.868 0.028 0.000 1.104 22 T HN 0.589 nan 8.240 nan 0.000 0.473 23 G N 1.539 110.375 108.800 0.060 0.000 2.660 23 G HA2 -0.040 3.921 3.960 0.001 0.000 0.247 23 G HA3 -0.040 3.921 3.960 0.001 0.000 0.247 23 G C -0.816 174.127 174.900 0.072 0.000 1.328 23 G CA -0.526 44.621 45.100 0.079 0.000 0.884 23 G HN 0.679 nan 8.290 nan 0.000 0.531 24 L N 1.274 122.540 121.223 0.071 0.000 2.461 24 L HA 0.445 4.785 4.340 0.001 0.000 0.272 24 L C 1.768 178.672 176.870 0.055 0.000 1.197 24 L CA 0.198 55.082 54.840 0.074 0.000 0.836 24 L CB 0.747 42.859 42.059 0.088 0.000 1.105 24 L HN 1.005 nan 8.230 nan 0.000 0.477 25 T N -1.051 113.529 114.554 0.044 0.000 2.899 25 T HA 0.251 4.601 4.350 0.001 0.000 0.284 25 T C -1.558 173.153 174.700 0.018 0.000 1.004 25 T CA -1.789 60.327 62.100 0.027 0.000 1.043 25 T CB 1.373 70.251 68.868 0.018 0.000 1.013 25 T HN 0.443 nan 8.240 nan 0.000 0.518 26 P HA -0.137 nan 4.420 nan 0.000 0.216 26 P C 0.948 178.245 177.300 -0.005 0.000 1.150 26 P CA 1.180 64.284 63.100 0.008 0.000 0.843 26 P CB 0.098 31.802 31.700 0.007 0.000 0.787 27 D N -0.206 120.185 120.400 -0.014 0.000 2.117 27 D HA -0.135 4.506 4.640 0.001 0.000 0.198 27 D C 2.265 178.527 176.300 -0.065 0.000 0.982 27 D CA 1.036 55.016 54.000 -0.033 0.000 0.828 27 D CB -0.289 40.493 40.800 -0.031 0.000 0.967 27 D HN 0.318 nan 8.370 nan 0.000 0.464 28 Q N 0.231 119.992 119.800 -0.065 0.000 2.084 28 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 28 Q C 2.456 178.387 176.000 -0.115 0.000 0.978 28 Q CA 0.812 56.530 55.803 -0.143 0.000 0.844 28 Q CB 0.046 28.759 28.738 -0.042 0.000 0.898 28 Q HN 0.128 nan 8.270 nan 0.000 0.426 29 V N 1.537 121.452 119.914 0.001 0.000 2.255 29 V HA -0.320 3.801 4.120 0.001 0.000 0.247 29 V C 2.335 178.438 176.094 0.015 0.000 1.051 29 V CA 2.090 64.418 62.300 0.046 0.000 1.018 29 V CB -0.615 31.228 31.823 0.033 0.000 0.641 29 V HN 0.358 nan 8.190 nan 0.000 0.445 30 K N -0.012 120.378 120.400 -0.016 0.000 2.044 30 K HA -0.297 4.024 4.320 0.001 0.000 0.210 30 K C 2.348 178.922 176.600 -0.044 0.000 1.049 30 K CA 2.142 58.414 56.287 -0.024 0.000 0.927 30 K CB -0.154 32.331 32.500 -0.024 0.000 0.713 30 K HN 0.251 nan 8.250 nan 0.000 0.443 31 R N 0.335 120.782 120.500 -0.089 0.000 2.082 31 R HA -0.135 4.205 4.340 0.001 0.000 0.234 31 R C 2.009 178.252 176.300 -0.095 0.000 1.136 31 R CA 2.301 58.322 56.100 -0.132 0.000 0.935 31 R CB -0.775 29.387 30.300 -0.231 0.000 0.842 31 R HN 0.488 nan 8.270 nan 0.000 0.430 32 H N -1.009 118.068 119.070 0.011 0.000 2.387 32 H HA -0.088 4.468 4.556 0.001 0.000 0.299 32 H C 1.579 176.939 175.328 0.054 0.000 1.090 32 H CA 1.045 57.139 56.048 0.077 0.000 1.332 32 H CB 0.032 29.918 29.762 0.205 0.000 1.386 32 H HN 0.098 nan 8.280 nan 0.000 0.516 33 L N 1.161 122.448 121.223 0.108 0.000 2.362 33 L HA -0.096 4.245 4.340 0.001 0.000 0.219 33 L C 1.534 178.366 176.870 -0.064 0.000 1.134 33 L CA 1.488 56.311 54.840 -0.027 0.000 0.807 33 L CB -0.173 41.821 42.059 -0.109 0.000 0.927 33 L HN 0.244 nan 8.230 nan 0.000 0.447 34 E N -1.209 118.967 120.200 -0.041 0.000 2.166 34 E HA -0.138 4.213 4.350 0.001 0.000 0.192 34 E C 1.872 178.430 176.600 -0.070 0.000 0.967 34 E CA 0.445 56.816 56.400 -0.048 0.000 0.840 34 E CB 0.121 29.792 29.700 -0.048 0.000 0.795 34 E HN 0.376 nan 8.360 nan 0.000 0.470 35 K N 0.152 120.468 120.400 -0.141 0.000 2.076 35 K HA -0.060 4.261 4.320 0.001 0.000 0.204 35 K C 1.186 177.622 176.600 -0.274 0.000 1.051 35 K CA 1.021 57.133 56.287 -0.291 0.000 0.949 35 K CB 0.163 32.336 32.500 -0.545 0.000 0.726 35 K HN 0.152 nan 8.250 nan 0.000 0.443 36 Y N -0.064 120.271 120.300 0.059 0.000 2.458 36 Y HA 0.231 4.781 4.550 0.001 0.000 0.254 36 Y C 1.030 176.939 175.900 0.015 0.000 1.120 36 Y CA -0.213 57.913 58.100 0.042 0.000 1.282 36 Y CB 1.080 39.564 38.460 0.039 0.000 1.109 36 Y HN 0.300 nan 8.280 nan 0.000 0.526 37 G N 0.401 109.264 108.800 0.106 0.000 2.725 37 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 37 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 37 G C -0.907 173.978 174.900 -0.026 0.000 1.357 37 G CA -0.814 44.317 45.100 0.052 0.000 0.866 37 G HN 0.341 nan 8.290 nan 0.000 0.548 38 H N 0.323 119.435 119.070 0.069 0.000 2.511 38 H HA 0.297 4.854 4.556 0.001 0.000 0.346 38 H C 0.832 176.187 175.328 0.046 0.000 1.128 38 H CA 0.036 56.116 56.048 0.053 0.000 1.342 38 H CB 1.277 31.061 29.762 0.038 0.000 1.470 38 H HN 0.495 nan 8.280 nan 0.000 0.546 39 N N 2.869 121.651 118.700 0.136 0.000 2.971 39 N HA -0.040 4.700 4.740 0.001 0.000 0.294 39 N C -0.849 174.711 175.510 0.083 0.000 1.210 39 N CA -0.084 53.014 53.050 0.081 0.000 1.157 39 N CB -0.219 38.294 38.487 0.043 0.000 1.450 39 N HN 0.628 nan 8.380 nan 0.000 0.527 40 E N 0.341 120.592 120.200 0.086 0.000 2.412 40 E HA 0.320 4.671 4.350 0.001 0.000 0.279 40 E C -1.483 175.150 176.600 0.055 0.000 0.984 40 E CA -1.034 55.404 56.400 0.064 0.000 0.788 40 E CB 0.558 30.292 29.700 0.057 0.000 1.277 40 E HN -0.042 nan 8.360 nan 0.000 0.455 41 L N 2.232 123.481 121.223 0.043 0.000 2.290 41 L HA 0.400 4.740 4.340 0.001 0.000 0.284 41 L C -2.303 174.585 176.870 0.030 0.000 1.078 41 L CA -1.968 52.894 54.840 0.037 0.000 0.815 41 L CB 0.440 42.520 42.059 0.036 0.000 1.162 41 L HN 0.505 nan 8.230 nan 0.000 0.435 42 P HA 0.185 nan 4.420 nan 0.000 0.267 42 P C -0.652 176.657 177.300 0.015 0.000 1.205 42 P CA -0.141 62.972 63.100 0.022 0.000 0.765 42 P CB 0.753 32.467 31.700 0.024 0.000 0.828 43 A N 3.143 125.969 122.820 0.010 0.000 2.280 43 A HA 0.304 4.624 4.320 0.001 0.000 0.268 43 A C 0.249 177.835 177.584 0.004 0.000 1.111 43 A CA -0.089 51.951 52.037 0.005 0.000 0.814 43 A CB 0.243 19.243 19.000 0.001 0.000 1.093 43 A HN 0.528 nan 8.150 nan 0.000 0.498 44 E N -0.635 119.565 120.200 0.001 0.000 2.320 44 E HA 0.527 4.877 4.350 0.001 0.000 0.264 44 E C -0.922 175.676 176.600 -0.003 0.000 0.923 44 E CA -0.537 55.863 56.400 -0.001 0.000 0.796 44 E CB 1.760 31.458 29.700 -0.003 0.000 1.262 44 E HN 0.758 nan 8.360 nan 0.000 0.428 45 E N -0.757 119.442 120.200 -0.001 0.000 2.388 45 E HA 0.367 4.717 4.350 0.001 0.000 0.269 45 E C -0.129 176.473 176.600 0.002 0.000 1.172 45 E CA -0.171 56.228 56.400 -0.001 0.000 0.887 45 E CB 0.817 30.519 29.700 0.002 0.000 1.544 45 E HN 0.632 nan 8.360 nan 0.000 0.451 46 G N 0.463 109.267 108.800 0.006 0.000 2.870 46 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 46 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 46 G C 0.127 175.034 174.900 0.011 0.000 0.973 46 G CA 0.113 45.220 45.100 0.011 0.000 0.807 46 G HN 0.512 nan 8.290 nan 0.000 0.573 47 K N 1.425 121.826 120.400 0.002 0.000 3.225 47 K HA 0.410 4.730 4.320 0.001 0.000 0.282 47 K C 0.613 177.217 176.600 0.006 0.000 1.060 47 K CA 0.357 56.640 56.287 -0.005 0.000 1.186 47 K CB 0.319 32.805 32.500 -0.023 0.000 1.214 47 K HN 0.225 nan 8.250 nan 0.000 0.428 48 S N 1.370 117.088 115.700 0.030 0.000 2.544 48 S HA -0.046 4.424 4.470 0.001 0.000 0.290 48 S C 1.197 175.828 174.600 0.052 0.000 1.276 48 S CA -0.674 57.565 58.200 0.065 0.000 1.075 48 S CB 0.265 63.524 63.200 0.098 0.000 0.849 48 S HN 0.545 nan 8.310 nan 0.000 0.494 49 L N 6.146 127.386 121.223 0.028 0.000 2.013 49 L HA 0.020 4.361 4.340 0.001 0.000 0.212 49 L C 1.259 178.043 176.870 -0.145 0.000 1.073 49 L CA 1.870 56.650 54.840 -0.100 0.000 0.753 49 L CB -0.570 41.374 42.059 -0.190 0.000 0.890 49 L HN 0.903 nan 8.230 nan 0.000 0.432 50 W N -0.293 121.016 121.300 0.016 0.000 3.468 50 W HA 0.083 4.743 4.660 0.001 0.000 0.327 50 W C 1.726 178.259 176.519 0.024 0.000 1.259 50 W CA -0.079 57.280 57.345 0.023 0.000 1.706 50 W CB 0.016 29.486 29.460 0.017 0.000 1.007 50 W HN 0.186 nan 8.180 nan 0.000 0.764 51 E N -1.221 119.064 120.200 0.141 0.000 3.155 51 E HA -0.000 4.350 4.350 0.001 0.000 0.208 51 E C 2.038 178.664 176.600 0.044 0.000 1.060 51 E CA 0.393 56.853 56.400 0.099 0.000 1.522 51 E CB -0.742 29.008 29.700 0.083 0.000 1.433 51 E HN 0.229 nan 8.360 nan 0.000 0.709 52 L N 0.037 121.266 121.223 0.009 0.000 2.353 52 L HA 0.012 4.353 4.340 0.001 0.000 0.220 52 L C 2.035 178.877 176.870 -0.046 0.000 1.133 52 L CA 1.041 55.868 54.840 -0.023 0.000 0.798 52 L CB -1.259 40.778 42.059 -0.037 0.000 0.922 52 L HN -0.127 nan 8.230 nan 0.000 0.445 53 V N 0.110 120.002 119.914 -0.037 0.000 2.379 53 V HA -0.078 4.042 4.120 0.001 0.000 0.243 53 V C 2.481 178.600 176.094 0.041 0.000 1.035 53 V CA 1.505 63.783 62.300 -0.037 0.000 1.035 53 V CB -0.308 31.491 31.823 -0.040 0.000 0.673 53 V HN 0.387 nan 8.190 nan 0.000 0.457 54 I N 0.197 120.834 120.570 0.111 0.000 2.567 54 I HA -0.222 3.948 4.170 0.001 0.000 0.257 54 I C 2.414 178.594 176.117 0.104 0.000 1.184 54 I CA 1.390 62.795 61.300 0.175 0.000 1.451 54 I CB -0.409 37.679 38.000 0.147 0.000 1.089 54 I HN 0.437 nan 8.210 nan 0.000 0.441 55 E N 0.472 120.685 120.200 0.022 0.000 2.107 55 E HA -0.195 4.156 4.350 0.001 0.000 0.191 55 E C 2.072 178.624 176.600 -0.080 0.000 0.982 55 E CA 0.694 57.087 56.400 -0.013 0.000 0.809 55 E CB -0.045 29.641 29.700 -0.024 0.000 0.756 55 E HN 0.470 nan 8.360 nan 0.000 0.459 56 Q N -0.340 119.332 119.800 -0.213 0.000 2.291 56 Q HA -0.102 4.239 4.340 0.001 0.000 0.206 56 Q C 0.755 176.453 176.000 -0.503 0.000 0.976 56 Q CA 1.000 56.552 55.803 -0.419 0.000 0.875 56 Q CB -0.002 28.338 28.738 -0.663 0.000 0.927 56 Q HN 0.292 nan 8.270 nan 0.000 0.450 57 F N -0.473 119.477 119.950 0.001 0.000 2.850 57 F HA 0.240 4.767 4.527 0.001 0.000 0.306 57 F C 1.577 177.379 175.800 0.003 0.000 1.162 57 F CA -0.463 57.537 58.000 0.000 0.000 1.327 57 F CB 0.284 39.282 39.000 -0.003 0.000 0.953 57 F HN 0.035 nan 8.300 nan 0.000 0.507 58 E N 0.109 120.369 120.200 0.100 0.000 2.364 58 E HA -0.053 4.297 4.350 0.001 0.000 0.196 58 E C 0.221 176.853 176.600 0.054 0.000 0.990 58 E CA -0.017 56.426 56.400 0.072 0.000 0.886 58 E CB 0.296 30.020 29.700 0.040 0.000 0.866 58 E HN 0.270 nan 8.360 nan 0.000 0.493 59 D N 0.365 120.793 120.400 0.046 0.000 2.455 59 D HA -0.102 4.538 4.640 0.001 0.000 0.241 59 D C 1.071 177.398 176.300 0.046 0.000 1.138 59 D CA -0.102 53.922 54.000 0.040 0.000 0.877 59 D CB 1.088 41.909 40.800 0.035 0.000 1.187 59 D HN 0.055 nan 8.370 nan 0.000 0.451 60 L N 4.206 125.448 121.223 0.032 0.000 2.079 60 L HA -0.105 4.236 4.340 0.001 0.000 0.210 60 L C 1.738 178.619 176.870 0.017 0.000 1.081 60 L CA 1.650 56.501 54.840 0.018 0.000 0.752 60 L CB -0.388 41.672 42.059 0.002 0.000 0.896 60 L HN 0.680 nan 8.230 nan 0.000 0.433 61 L N -1.214 120.026 121.223 0.029 0.000 2.072 61 L HA -0.124 4.216 4.340 0.001 0.000 0.205 61 L C 2.503 179.401 176.870 0.048 0.000 1.079 61 L CA 1.189 56.049 54.840 0.033 0.000 0.752 61 L CB -0.789 41.306 42.059 0.059 0.000 0.906 61 L HN 0.349 nan 8.230 nan 0.000 0.436 62 V N -2.691 117.263 119.914 0.068 0.000 2.759 62 V HA -0.164 3.956 4.120 0.001 0.000 0.256 62 V C 2.372 178.532 176.094 0.110 0.000 1.080 62 V CA 1.171 63.533 62.300 0.103 0.000 1.101 62 V CB -0.756 31.148 31.823 0.136 0.000 0.698 62 V HN 0.370 nan 8.190 nan 0.000 0.477 63 R N -0.138 120.409 120.500 0.077 0.000 2.093 63 R HA 0.123 4.464 4.340 0.001 0.000 0.224 63 R C 2.335 178.645 176.300 0.016 0.000 1.101 63 R CA 1.446 57.575 56.100 0.048 0.000 0.979 63 R CB -0.307 30.014 30.300 0.034 0.000 0.877 63 R HN 0.409 nan 8.270 nan 0.000 0.441 64 I N 0.935 121.512 120.570 0.010 0.000 2.226 64 I HA -0.227 3.943 4.170 0.001 0.000 0.245 64 I C 2.057 178.176 176.117 0.003 0.000 1.100 64 I CA 1.377 62.672 61.300 -0.008 0.000 1.374 64 I CB -0.785 37.205 38.000 -0.018 0.000 1.057 64 I HN 0.118 nan 8.210 nan 0.000 0.413 65 L N -0.313 120.924 121.223 0.023 0.000 2.217 65 L HA -0.111 4.230 4.340 0.001 0.000 0.211 65 L C 2.298 179.184 176.870 0.027 0.000 1.107 65 L CA 1.016 55.876 54.840 0.033 0.000 0.783 65 L CB -0.945 41.146 42.059 0.053 0.000 0.919 65 L HN 0.165 nan 8.230 nan 0.000 0.442 66 L N -1.201 120.032 121.223 0.016 0.000 2.072 66 L HA -0.126 4.214 4.340 0.001 0.000 0.205 66 L C 2.248 179.099 176.870 -0.032 0.000 1.079 66 L CA 1.471 56.295 54.840 -0.027 0.000 0.752 66 L CB -0.513 41.509 42.059 -0.061 0.000 0.906 66 L HN 0.205 nan 8.230 nan 0.000 0.436 67 L N -0.157 121.053 121.223 -0.022 0.000 2.005 67 L HA -0.029 4.311 4.340 0.001 0.000 0.207 67 L C 2.546 179.416 176.870 0.001 0.000 1.072 67 L CA 2.092 56.920 54.840 -0.021 0.000 0.744 67 L CB -1.140 40.900 42.059 -0.032 0.000 0.895 67 L HN 0.253 nan 8.230 nan 0.000 0.433 68 A N -0.161 122.661 122.820 0.002 0.000 1.892 68 A HA -0.253 4.067 4.320 0.001 0.000 0.218 68 A C 2.463 180.079 177.584 0.052 0.000 1.188 68 A CA 2.440 54.487 52.037 0.018 0.000 0.631 68 A CB -1.445 17.564 19.000 0.014 0.000 0.822 68 A HN 0.631 nan 8.150 nan 0.000 0.447 69 A N -1.405 121.449 122.820 0.056 0.000 1.978 69 A HA -0.172 4.149 4.320 0.001 0.000 0.220 69 A C 2.311 179.978 177.584 0.138 0.000 1.170 69 A CA 1.787 53.882 52.037 0.096 0.000 0.636 69 A CB -1.177 17.864 19.000 0.069 0.000 0.810 69 A HN 0.632 nan 8.150 nan 0.000 0.448 70 C N -0.857 118.490 119.300 0.079 0.000 2.476 70 C HA 0.019 4.480 4.460 0.001 0.000 0.278 70 C C 2.539 177.619 174.990 0.151 0.000 1.274 70 C CA 0.783 59.853 59.018 0.088 0.000 1.713 70 C CB -1.217 26.525 27.740 0.004 0.000 2.039 70 C HN 0.641 nan 8.230 nan 0.000 0.484 71 I N 0.899 121.538 120.570 0.115 0.000 2.264 71 I HA -0.202 3.969 4.170 0.001 0.000 0.248 71 I C 2.633 178.835 176.117 0.141 0.000 1.111 71 I CA 1.752 63.139 61.300 0.146 0.000 1.382 71 I CB -0.527 37.557 38.000 0.141 0.000 1.060 71 I HN 0.329 nan 8.210 nan 0.000 0.418 72 S N 0.264 116.042 115.700 0.130 0.000 2.453 72 S HA -0.131 4.339 4.470 0.001 0.000 0.231 72 S C 1.896 176.550 174.600 0.089 0.000 1.005 72 S CA 0.785 59.042 58.200 0.095 0.000 0.949 72 S CB -0.295 62.959 63.200 0.091 0.000 0.774 72 S HN 0.437 nan 8.310 nan 0.000 0.510 73 F N 1.428 121.401 119.950 0.039 0.000 2.293 73 F HA 0.124 4.651 4.527 0.001 0.000 0.297 73 F C 1.949 177.793 175.800 0.073 0.000 1.089 73 F CA 0.843 58.889 58.000 0.076 0.000 1.377 73 F CB -0.101 39.001 39.000 0.170 0.000 1.051 73 F HN 0.050 nan 8.300 nan 0.000 0.511 74 V N -0.094 119.974 119.914 0.257 0.000 2.453 74 V HA -0.247 3.874 4.120 0.001 0.000 0.247 74 V C 2.137 178.260 176.094 0.048 0.000 1.048 74 V CA 1.235 63.608 62.300 0.121 0.000 1.049 74 V CB -0.635 31.151 31.823 -0.061 0.000 0.672 74 V HN 0.214 nan 8.190 nan 0.000 0.457 75 L N 0.335 121.564 121.223 0.010 0.000 2.376 75 L HA 0.058 4.399 4.340 0.001 0.000 0.219 75 L C 2.407 179.239 176.870 -0.064 0.000 1.133 75 L CA 1.692 56.538 54.840 0.012 0.000 0.816 75 L CB -1.007 41.064 42.059 0.020 0.000 0.933 75 L HN 0.281 nan 8.230 nan 0.000 0.449 76 A N -1.626 121.030 122.820 -0.273 0.000 1.935 76 A HA -0.173 4.148 4.320 0.001 0.000 0.214 76 A C 2.182 179.447 177.584 -0.532 0.000 1.178 76 A CA 0.734 52.334 52.037 -0.729 0.000 0.640 76 A CB -0.751 17.258 19.000 -1.652 0.000 0.825 76 A HN 0.580 nan 8.150 nan 0.000 0.447 77 W N -0.391 120.762 121.300 -0.245 0.000 2.441 77 W HA -0.004 4.656 4.660 0.001 0.000 0.302 77 W C 0.051 176.717 176.519 0.245 0.000 1.191 77 W CA 0.823 58.305 57.345 0.228 0.000 1.327 77 W CB -0.240 29.474 29.460 0.423 0.000 1.128 77 W HN 0.281 nan 8.180 nan 0.000 0.522 78 F N 2.412 122.507 119.950 0.243 0.000 2.778 78 F HA 0.105 4.632 4.527 0.001 0.000 0.295 78 F C 0.311 176.130 175.800 0.031 0.000 1.262 78 F CA 0.354 58.444 58.000 0.149 0.000 1.429 78 F CB -1.243 37.841 39.000 0.141 0.000 1.072 78 F HN -0.225 nan 8.300 nan 0.000 0.514 79 E N 0.537 120.791 120.200 0.090 0.000 2.212 79 E HA 0.236 4.586 4.350 0.001 0.000 0.270 79 E C -0.116 176.469 176.600 -0.025 0.000 0.956 79 E CA -0.600 55.807 56.400 0.013 0.000 0.825 79 E CB 0.771 30.437 29.700 -0.057 0.000 1.167 79 E HN -0.002 nan 8.360 nan 0.000 0.400 80 E N 1.696 121.890 120.200 -0.010 0.000 2.436 80 E HA 0.091 4.442 4.350 0.001 0.000 0.262 80 E C 0.707 177.282 176.600 -0.043 0.000 1.063 80 E CA 0.633 57.021 56.400 -0.021 0.000 0.944 80 E CB 0.619 30.319 29.700 -0.001 0.000 0.950 80 E HN 0.742 nan 8.360 nan 0.000 0.444 81 G N 2.049 110.819 108.800 -0.050 0.000 3.155 81 G HA2 -0.147 3.813 3.960 0.001 0.000 0.213 81 G HA3 -0.147 3.813 3.960 0.001 0.000 0.213 81 G C 0.997 175.872 174.900 -0.042 0.000 1.196 81 G CA -0.002 45.062 45.100 -0.059 0.000 0.846 81 G HN 0.430 nan 8.290 nan 0.000 0.516 82 E N 0.398 120.581 120.200 -0.029 0.000 2.012 82 E HA -0.090 4.260 4.350 0.001 0.000 0.197 82 E C 0.683 177.269 176.600 -0.024 0.000 1.007 82 E CA 0.968 57.356 56.400 -0.020 0.000 0.816 82 E CB 0.029 29.724 29.700 -0.008 0.000 0.762 82 E HN 0.455 nan 8.360 nan 0.000 0.451 83 E N -0.332 119.853 120.200 -0.026 0.000 4.176 83 E HA 0.046 4.397 4.350 0.001 0.000 0.222 83 E C -0.598 175.985 176.600 -0.028 0.000 1.142 83 E CA -0.022 56.361 56.400 -0.028 0.000 1.400 83 E CB 1.042 30.727 29.700 -0.024 0.000 1.206 83 E HN -0.043 nan 8.360 nan 0.000 0.413 84 T N 0.284 114.820 114.554 -0.030 0.000 3.439 84 T HA 0.028 4.379 4.350 0.001 0.000 0.251 84 T C 1.305 176.022 174.700 0.028 0.000 1.108 84 T CA 0.295 62.392 62.100 -0.005 0.000 0.982 84 T CB -0.322 68.531 68.868 -0.024 0.000 1.024 84 T HN 0.256 nan 8.240 nan 0.000 0.573 85 I N 1.671 122.235 120.570 -0.009 0.000 2.480 85 I HA 0.096 4.267 4.170 0.001 0.000 0.251 85 I C 1.613 177.724 176.117 -0.011 0.000 1.124 85 I CA 1.195 62.480 61.300 -0.026 0.000 1.444 85 I CB 0.222 38.199 38.000 -0.039 0.000 1.098 85 I HN 0.361 nan 8.210 nan 0.000 0.428 86 T N -2.456 112.096 114.554 -0.005 0.000 3.448 86 T HA 0.627 4.977 4.350 0.001 0.000 0.271 86 T C 0.779 175.469 174.700 -0.018 0.000 1.002 86 T CA 0.016 62.106 62.100 -0.016 0.000 0.995 86 T CB 0.240 69.081 68.868 -0.044 0.000 1.153 86 T HN 0.138 nan 8.240 nan 0.000 0.510 87 A N 0.438 123.274 122.820 0.027 0.000 2.063 87 A HA 0.448 4.769 4.320 0.001 0.000 0.211 87 A C 1.097 178.587 177.584 -0.158 0.000 1.177 87 A CA 0.006 51.990 52.037 -0.088 0.000 0.759 87 A CB -0.486 18.415 19.000 -0.165 0.000 0.857 87 A HN 0.528 nan 8.150 nan 0.000 0.468 88 F N 0.029 119.886 119.950 -0.154 0.000 2.804 88 F HA 0.066 4.594 4.527 0.001 0.000 0.303 88 F C 1.860 177.626 175.800 -0.058 0.000 1.154 88 F CA -0.010 57.896 58.000 -0.157 0.000 1.401 88 F CB -0.478 38.337 39.000 -0.308 0.000 1.106 88 F HN -0.008 nan 8.300 nan 0.000 0.568 89 V N 0.128 120.081 119.914 0.066 0.000 2.233 89 V HA -0.327 3.793 4.120 0.001 0.000 0.247 89 V C 2.523 178.688 176.094 0.118 0.000 1.050 89 V CA 2.351 64.681 62.300 0.051 0.000 1.010 89 V CB -0.601 31.183 31.823 -0.064 0.000 0.637 89 V HN 0.413 nan 8.190 nan 0.000 0.444 90 E N 0.657 120.890 120.200 0.056 0.000 2.033 90 E HA -0.251 4.100 4.350 0.001 0.000 0.199 90 E C -0.077 176.629 176.600 0.176 0.000 1.011 90 E CA 2.182 58.630 56.400 0.081 0.000 0.815 90 E CB -1.070 28.647 29.700 0.029 0.000 0.755 90 E HN 0.456 nan 8.360 nan 0.000 0.451 91 P HA -0.143 nan 4.420 nan 0.000 0.217 91 P C 0.778 178.355 177.300 0.463 0.000 1.148 91 P CA 1.238 64.561 63.100 0.372 0.000 0.828 91 P CB -0.095 31.899 31.700 0.490 0.000 0.783 92 F N -1.456 118.633 119.950 0.233 0.000 2.317 92 F HA -0.050 4.477 4.527 0.001 0.000 0.293 92 F C 2.226 178.111 175.800 0.141 0.000 1.085 92 F CA 0.651 58.775 58.000 0.206 0.000 1.390 92 F CB -1.057 38.065 39.000 0.204 0.000 1.077 92 F HN -0.316 nan 8.300 nan 0.000 0.517 93 V N 0.422 120.510 119.914 0.290 0.000 2.407 93 V HA -0.296 3.824 4.120 0.001 0.000 0.248 93 V C 2.275 178.453 176.094 0.140 0.000 1.055 93 V CA 1.736 64.152 62.300 0.194 0.000 1.049 93 V CB -0.579 31.345 31.823 0.167 0.000 0.662 93 V HN 0.243 nan 8.190 nan 0.000 0.455 94 I N -0.622 120.027 120.570 0.132 0.000 2.163 94 I HA -0.214 3.957 4.170 0.001 0.000 0.240 94 I C 2.399 178.556 176.117 0.068 0.000 1.081 94 I CA 1.348 62.706 61.300 0.097 0.000 1.353 94 I CB -0.456 37.600 38.000 0.095 0.000 1.054 94 I HN 0.290 nan 8.210 nan 0.000 0.407 95 L N 0.662 121.907 121.223 0.037 0.000 2.127 95 L HA -0.211 4.129 4.340 0.001 0.000 0.211 95 L C 2.229 179.087 176.870 -0.020 0.000 1.089 95 L CA 1.657 56.475 54.840 -0.037 0.000 0.757 95 L CB -0.511 41.444 42.059 -0.172 0.000 0.899 95 L HN 0.175 nan 8.230 nan 0.000 0.434 96 L N -0.954 120.274 121.223 0.008 0.000 2.027 96 L HA -0.163 4.178 4.340 0.001 0.000 0.206 96 L C 2.320 179.220 176.870 0.050 0.000 1.074 96 L CA 1.635 56.495 54.840 0.033 0.000 0.745 96 L CB -0.520 41.589 42.059 0.083 0.000 0.898 96 L HN 0.196 nan 8.230 nan 0.000 0.433 97 I N -0.872 119.735 120.570 0.062 0.000 2.179 97 I HA -0.261 3.909 4.170 0.001 0.000 0.242 97 I C 2.491 178.646 176.117 0.062 0.000 1.088 97 I CA 1.140 62.474 61.300 0.056 0.000 1.357 97 I CB -1.252 36.783 38.000 0.059 0.000 1.051 97 I HN 0.252 nan 8.210 nan 0.000 0.409 98 L N 0.719 121.999 121.223 0.094 0.000 1.970 98 L HA -0.190 4.151 4.340 0.001 0.000 0.212 98 L C 2.490 179.467 176.870 0.177 0.000 1.071 98 L CA 1.918 56.859 54.840 0.168 0.000 0.751 98 L CB -0.841 41.367 42.059 0.248 0.000 0.889 98 L HN 0.135 nan 8.230 nan 0.000 0.432 99 I N -1.069 119.607 120.570 0.176 0.000 2.567 99 I HA -0.287 3.883 4.170 0.001 0.000 0.257 99 I C 2.425 178.571 176.117 0.048 0.000 1.184 99 I CA 0.885 62.275 61.300 0.150 0.000 1.451 99 I CB -0.574 37.486 38.000 0.099 0.000 1.089 99 I HN 0.257 nan 8.210 nan 0.000 0.441 100 A N 1.266 124.105 122.820 0.031 0.000 1.843 100 A HA -0.142 4.178 4.320 0.001 0.000 0.213 100 A C 1.980 179.549 177.584 -0.025 0.000 1.202 100 A CA 1.613 53.650 52.037 -0.000 0.000 0.607 100 A CB -0.661 18.342 19.000 0.005 0.000 0.847 100 A HN 0.339 nan 8.150 nan 0.000 0.445 101 N N 0.149 118.835 118.700 -0.023 0.000 2.520 101 N HA 0.063 4.803 4.740 0.001 0.000 0.185 101 N C 1.428 176.885 175.510 -0.089 0.000 1.068 101 N CA 1.122 54.145 53.050 -0.045 0.000 0.911 101 N CB -0.144 38.326 38.487 -0.028 0.000 0.961 101 N HN 0.503 nan 8.380 nan 0.000 0.446 102 A N 0.141 122.885 122.820 -0.127 0.000 1.924 102 A HA 0.158 4.479 4.320 0.001 0.000 0.211 102 A C 2.039 179.529 177.584 -0.155 0.000 1.198 102 A CA 0.180 52.060 52.037 -0.261 0.000 0.657 102 A CB -0.361 18.320 19.000 -0.532 0.000 0.852 102 A HN 0.284 nan 8.150 nan 0.000 0.454 103 I N 0.032 120.556 120.570 -0.076 0.000 2.493 103 I HA -0.152 4.018 4.170 0.001 0.000 0.254 103 I C 1.776 177.903 176.117 0.016 0.000 1.160 103 I CA 1.025 62.311 61.300 -0.024 0.000 1.445 103 I CB 0.196 38.192 38.000 -0.006 0.000 1.086 103 I HN 0.140 nan 8.210 nan 0.000 0.433 104 V N 0.752 120.658 119.914 -0.013 0.000 2.591 104 V HA -0.077 4.044 4.120 0.001 0.000 0.249 104 V C 2.522 178.657 176.094 0.069 0.000 1.053 104 V CA 1.588 63.895 62.300 0.011 0.000 1.068 104 V CB -1.072 30.719 31.823 -0.052 0.000 0.689 104 V HN 0.591 nan 8.190 nan 0.000 0.462 105 G N 0.118 108.919 108.800 0.002 0.000 2.422 105 G HA2 -0.160 3.800 3.960 0.001 0.000 0.218 105 G HA3 -0.160 3.800 3.960 0.001 0.000 0.218 105 G C 1.525 176.433 174.900 0.014 0.000 1.140 105 G CA 1.197 46.293 45.100 -0.008 0.000 0.775 105 G HN 0.428 nan 8.290 nan 0.000 0.545 106 V N -0.052 119.872 119.914 0.017 0.000 2.871 106 V HA -0.037 4.083 4.120 0.001 0.000 0.256 106 V C 2.149 178.282 176.094 0.063 0.000 1.082 106 V CA 0.867 63.174 62.300 0.012 0.000 1.105 106 V CB -0.464 31.351 31.823 -0.013 0.000 0.713 106 V HN 0.657 nan 8.190 nan 0.000 0.473 107 W N 1.357 122.622 121.300 -0.058 0.000 2.409 107 W HA -0.146 4.515 4.660 0.001 0.000 0.299 107 W C 2.063 178.559 176.519 -0.038 0.000 1.203 107 W CA 1.556 58.874 57.345 -0.044 0.000 1.298 107 W CB -0.150 29.286 29.460 -0.040 0.000 1.127 107 W HN 0.316 nan 8.180 nan 0.000 0.528 108 Q N 0.057 119.965 119.800 0.181 0.000 2.297 108 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 108 Q C 1.895 177.874 176.000 -0.035 0.000 0.962 108 Q CA 1.449 57.297 55.803 0.076 0.000 0.879 108 Q CB -0.055 28.747 28.738 0.108 0.000 0.947 108 Q HN 0.463 nan 8.270 nan 0.000 0.462 109 E N 0.228 120.401 120.200 -0.044 0.000 2.166 109 E HA -0.032 4.318 4.350 0.001 0.000 0.192 109 E C 1.905 178.445 176.600 -0.099 0.000 0.967 109 E CA -0.016 56.348 56.400 -0.060 0.000 0.840 109 E CB 0.066 29.742 29.700 -0.041 0.000 0.795 109 E HN 0.145 nan 8.360 nan 0.000 0.470 110 R N 1.322 121.743 120.500 -0.132 0.000 2.096 110 R HA -0.038 4.302 4.340 0.001 0.000 0.235 110 R C 0.331 176.501 176.300 -0.216 0.000 1.127 110 R CA 0.857 56.860 56.100 -0.161 0.000 0.968 110 R CB 0.089 30.282 30.300 -0.178 0.000 0.861 110 R HN 0.004 nan 8.270 nan 0.000 0.440 111 N N 0.998 119.512 118.700 -0.310 0.000 2.807 111 N HA 0.157 4.898 4.740 0.001 0.000 0.259 111 N C -1.419 173.980 175.510 -0.186 0.000 1.149 111 N CA 0.335 53.194 53.050 -0.319 0.000 1.042 111 N CB 1.420 39.599 38.487 -0.514 0.000 1.367 111 N HN 0.237 nan 8.380 nan 0.000 0.516 112 A N 1.619 124.360 122.820 -0.133 0.000 2.429 112 A HA 0.312 4.632 4.320 0.001 0.000 0.289 112 A C -0.240 177.303 177.584 -0.069 0.000 1.043 112 A CA -0.768 51.217 52.037 -0.087 0.000 0.722 112 A CB 1.307 20.265 19.000 -0.070 0.000 1.243 112 A HN 0.366 nan 8.150 nan 0.000 0.415 113 E N 1.546 121.713 120.200 -0.056 0.000 2.344 113 E HA 0.090 4.440 4.350 0.001 0.000 0.270 113 E C -0.325 176.255 176.600 -0.032 0.000 1.021 113 E CA -0.350 56.025 56.400 -0.043 0.000 0.887 113 E CB 0.789 30.468 29.700 -0.035 0.000 0.997 113 E HN 0.545 nan 8.360 nan 0.000 0.429 114 N N 1.619 120.302 118.700 -0.028 0.000 2.458 114 N HA 0.101 4.841 4.740 0.001 0.000 0.270 114 N C 0.182 175.686 175.510 -0.009 0.000 1.102 114 N CA -0.010 53.029 53.050 -0.019 0.000 0.967 114 N CB 1.368 39.845 38.487 -0.018 0.000 1.078 114 N HN 0.539 nan 8.380 nan 0.000 0.471 115 A N 4.900 127.717 122.820 -0.006 0.000 1.969 115 A HA -0.064 4.257 4.320 0.001 0.000 0.218 115 A C 1.901 179.493 177.584 0.015 0.000 1.169 115 A CA 0.794 52.834 52.037 0.004 0.000 0.635 115 A CB -0.431 18.568 19.000 -0.001 0.000 0.810 115 A HN 0.740 nan 8.150 nan 0.000 0.445 116 I N 0.219 120.794 120.570 0.009 0.000 2.252 116 I HA -0.204 3.967 4.170 0.001 0.000 0.245 116 I C 2.238 178.368 176.117 0.022 0.000 1.102 116 I CA 1.377 62.687 61.300 0.015 0.000 1.385 116 I CB -1.641 36.364 38.000 0.008 0.000 1.064 116 I HN 0.468 nan 8.210 nan 0.000 0.414 117 E N 1.257 121.463 120.200 0.011 0.000 2.058 117 E HA -0.197 4.153 4.350 0.001 0.000 0.194 117 E C 2.351 178.960 176.600 0.014 0.000 0.997 117 E CA 1.524 57.928 56.400 0.006 0.000 0.801 117 E CB -0.145 29.551 29.700 -0.007 0.000 0.746 117 E HN 0.493 nan 8.360 nan 0.000 0.450 118 A N 1.051 123.884 122.820 0.022 0.000 1.933 118 A HA -0.158 4.162 4.320 0.001 0.000 0.218 118 A C 2.146 179.793 177.584 0.105 0.000 1.175 118 A CA 0.956 53.016 52.037 0.038 0.000 0.628 118 A CB -0.436 18.590 19.000 0.044 0.000 0.814 118 A HN 0.206 nan 8.150 nan 0.000 0.444 119 L N -0.074 121.223 121.223 0.123 0.000 2.056 119 L HA -0.074 4.267 4.340 0.001 0.000 0.207 119 L C 2.040 179.042 176.870 0.220 0.000 1.078 119 L CA 2.001 56.962 54.840 0.202 0.000 0.749 119 L CB -0.415 41.701 42.059 0.094 0.000 0.901 119 L HN 0.295 nan 8.230 nan 0.000 0.433 120 K N -0.403 120.060 120.400 0.105 0.000 2.519 120 K HA -0.200 4.120 4.320 0.001 0.000 0.196 120 K C 1.673 178.298 176.600 0.041 0.000 1.041 120 K CA 0.938 57.269 56.287 0.073 0.000 0.954 120 K CB -0.090 32.431 32.500 0.035 0.000 0.774 120 K HN 0.436 nan 8.250 nan 0.000 0.480 121 E N -0.329 119.870 120.200 -0.001 0.000 2.478 121 E HA -0.112 4.238 4.350 0.001 0.000 0.198 121 E C 0.419 176.870 176.600 -0.249 0.000 1.046 121 E CA 0.598 56.910 56.400 -0.145 0.000 0.870 121 E CB 0.170 29.729 29.700 -0.236 0.000 0.818 121 E HN 0.348 nan 8.360 nan 0.000 0.527 122 Y N 0.512 120.813 120.300 0.001 0.000 2.466 122 Y HA 0.167 4.717 4.550 0.001 0.000 0.272 122 Y C -0.016 175.890 175.900 0.009 0.000 1.169 122 Y CA 0.049 58.153 58.100 0.006 0.000 1.285 122 Y CB 0.519 38.984 38.460 0.007 0.000 1.078 122 Y HN -0.122 nan 8.280 nan 0.000 0.523 123 E N 3.481 123.743 120.200 0.102 0.000 2.081 123 E HA 0.164 4.514 4.350 0.001 0.000 0.281 123 E C -2.383 174.236 176.600 0.032 0.000 0.986 123 E CA -2.061 54.380 56.400 0.069 0.000 0.796 123 E CB 0.621 30.355 29.700 0.056 0.000 1.085 123 E HN 0.081 nan 8.360 nan 0.000 0.398 124 P HA -0.071 nan 4.420 nan 0.000 0.269 124 P C 0.275 177.579 177.300 0.008 0.000 1.209 124 P CA 0.149 63.257 63.100 0.012 0.000 0.776 124 P CB 1.037 32.746 31.700 0.016 0.000 0.876 125 E N 2.179 122.378 120.200 -0.002 0.000 2.046 125 E HA -0.051 4.300 4.350 0.001 0.000 0.190 125 E C 0.390 176.990 176.600 -0.000 0.000 0.982 125 E CA 0.747 57.146 56.400 -0.002 0.000 0.800 125 E CB -0.138 29.556 29.700 -0.009 0.000 0.756 125 E HN 0.284 nan 8.360 nan 0.000 0.449 126 M N 0.952 120.549 119.600 -0.004 0.000 2.598 126 M HA 0.586 5.066 4.480 0.001 0.000 0.317 126 M C 0.248 176.543 176.300 -0.009 0.000 1.201 126 M CA -0.582 54.714 55.300 -0.007 0.000 0.971 126 M CB 1.481 34.073 32.600 -0.013 0.000 1.657 126 M HN 0.185 nan 8.290 nan 0.000 0.470 127 G N 1.021 109.812 108.800 -0.016 0.000 2.694 127 G HA2 0.702 4.663 3.960 0.001 0.000 0.290 127 G HA3 0.702 4.663 3.960 0.001 0.000 0.290 127 G C -1.554 173.319 174.900 -0.044 0.000 1.386 127 G CA -0.763 44.323 45.100 -0.023 0.000 0.872 127 G HN 0.557 nan 8.290 nan 0.000 0.475 128 K N 0.063 120.428 120.400 -0.058 0.000 2.358 128 K HA 0.628 4.949 4.320 0.001 0.000 0.260 128 K C -0.423 176.097 176.600 -0.133 0.000 0.956 128 K CA -0.723 55.498 56.287 -0.110 0.000 0.834 128 K CB 2.337 34.769 32.500 -0.114 0.000 1.102 128 K HN 0.588 nan 8.250 nan 0.000 0.431 129 V N -0.272 119.532 119.914 -0.184 0.000 3.102 129 V HA 0.576 4.697 4.120 0.001 0.000 0.312 129 V C -1.555 174.374 176.094 -0.276 0.000 1.135 129 V CA -0.950 61.263 62.300 -0.145 0.000 1.022 129 V CB 1.406 33.196 31.823 -0.056 0.000 1.056 129 V HN 0.647 nan 8.190 nan 0.000 0.436 130 Y N 1.900 122.197 120.300 -0.005 0.000 2.345 130 Y HA 0.757 5.308 4.550 0.001 0.000 0.331 130 Y C 0.526 176.427 175.900 0.002 0.000 0.959 130 Y CA -0.636 57.465 58.100 0.000 0.000 1.204 130 Y CB 1.557 40.018 38.460 0.002 0.000 1.135 130 Y HN 0.535 nan 8.280 nan 0.000 0.477 131 R N 1.054 121.625 120.500 0.119 0.000 2.828 131 R HA 0.573 4.914 4.340 0.001 0.000 0.264 131 R C 0.783 177.132 176.300 0.082 0.000 1.022 131 R CA -0.356 55.792 56.100 0.080 0.000 1.021 131 R CB 1.312 31.636 30.300 0.041 0.000 1.163 131 R HN 0.765 nan 8.270 nan 0.000 0.494 132 A N 1.028 123.885 122.820 0.061 0.000 2.070 132 A HA -0.176 4.145 4.320 0.001 0.000 0.220 132 A C 1.190 178.799 177.584 0.043 0.000 1.159 132 A CA 1.528 53.595 52.037 0.050 0.000 0.656 132 A CB -0.340 18.683 19.000 0.038 0.000 0.800 132 A HN 0.684 nan 8.150 nan 0.000 0.453 133 D N 0.103 120.526 120.400 0.038 0.000 2.137 133 D HA -0.123 4.517 4.640 0.001 0.000 0.193 133 D C 1.046 177.367 176.300 0.035 0.000 0.993 133 D CA 1.213 55.231 54.000 0.030 0.000 0.846 133 D CB -0.133 40.680 40.800 0.023 0.000 0.990 133 D HN 0.475 nan 8.370 nan 0.000 0.448 134 R N -0.143 120.383 120.500 0.043 0.000 2.797 134 R HA 0.401 4.742 4.340 0.001 0.000 0.251 134 R C 1.206 177.556 176.300 0.084 0.000 1.107 134 R CA -0.564 55.566 56.100 0.050 0.000 1.084 134 R CB 1.233 31.555 30.300 0.037 0.000 1.205 134 R HN -0.103 nan 8.270 nan 0.000 0.515 135 K N 0.062 120.515 120.400 0.088 0.000 2.348 135 K HA 0.081 4.401 4.320 0.001 0.000 0.194 135 K C 0.252 176.970 176.600 0.197 0.000 1.052 135 K CA 0.202 56.559 56.287 0.116 0.000 1.004 135 K CB 0.702 33.242 32.500 0.067 0.000 0.873 135 K HN 0.578 nan 8.250 nan 0.000 0.523 136 S N 0.505 116.293 115.700 0.145 0.000 2.585 136 S HA 0.229 4.700 4.470 0.001 0.000 0.277 136 S C 0.266 174.888 174.600 0.038 0.000 1.241 136 S CA -1.024 57.261 58.200 0.142 0.000 1.041 136 S CB 1.804 65.041 63.200 0.063 0.000 0.987 136 S HN -0.042 nan 8.310 nan 0.000 0.512 137 V N 2.392 122.226 119.914 -0.134 0.000 2.901 137 V HA 0.098 4.218 4.120 0.001 0.000 0.307 137 V C -0.182 175.740 176.094 -0.286 0.000 1.084 137 V CA 0.537 62.475 62.300 -0.603 0.000 1.184 137 V CB 0.462 31.910 31.823 -0.625 0.000 0.941 137 V HN 0.980 nan 8.190 nan 0.000 0.493 138 Q N 5.475 125.108 119.800 -0.280 0.000 2.316 138 Q HA 0.474 4.814 4.340 0.001 0.000 0.264 138 Q C -0.625 175.298 176.000 -0.129 0.000 0.987 138 Q CA -0.595 55.122 55.803 -0.143 0.000 0.852 138 Q CB 2.039 30.721 28.738 -0.093 0.000 1.287 138 Q HN 0.697 nan 8.270 nan 0.000 0.448 139 R N 3.756 124.205 120.500 -0.085 0.000 2.287 139 R HA 0.338 4.678 4.340 0.001 0.000 0.327 139 R C -0.402 175.873 176.300 -0.041 0.000 1.109 139 R CA -0.055 56.007 56.100 -0.064 0.000 1.013 139 R CB -0.033 30.237 30.300 -0.050 0.000 1.126 139 R HN 0.683 nan 8.270 nan 0.000 0.503 140 I N -0.877 119.671 120.570 -0.037 0.000 3.217 140 I HA 0.521 4.691 4.170 0.001 0.000 0.308 140 I C -0.461 175.651 176.117 -0.008 0.000 1.091 140 I CA -1.355 59.934 61.300 -0.018 0.000 1.013 140 I CB 1.230 39.222 38.000 -0.013 0.000 1.250 140 I HN 0.132 nan 8.210 nan 0.000 0.496 141 K N 2.045 122.448 120.400 0.005 0.000 2.416 141 K HA 0.196 4.516 4.320 0.001 0.000 0.283 141 K C 0.852 177.465 176.600 0.021 0.000 1.037 141 K CA 0.409 56.704 56.287 0.013 0.000 0.995 141 K CB 1.343 33.856 32.500 0.023 0.000 0.938 141 K HN 0.825 nan 8.250 nan 0.000 0.475 142 A N 4.712 127.542 122.820 0.017 0.000 1.948 142 A HA -0.255 4.066 4.320 0.001 0.000 0.220 142 A C 1.970 179.579 177.584 0.041 0.000 1.177 142 A CA 1.896 53.946 52.037 0.020 0.000 0.636 142 A CB -0.377 18.634 19.000 0.018 0.000 0.815 142 A HN 0.846 nan 8.150 nan 0.000 0.449 143 R N -0.838 119.697 120.500 0.058 0.000 2.241 143 R HA -0.090 4.250 4.340 0.001 0.000 0.224 143 R C 0.170 176.580 176.300 0.183 0.000 1.101 143 R CA 1.576 57.740 56.100 0.108 0.000 0.995 143 R CB -0.489 29.861 30.300 0.083 0.000 0.870 143 R HN 0.301 nan 8.270 nan 0.000 0.463 144 D N 0.834 121.313 120.400 0.132 0.000 2.339 144 D HA 0.177 4.818 4.640 0.001 0.000 0.217 144 D C 0.538 176.864 176.300 0.044 0.000 1.050 144 D CA 0.154 54.228 54.000 0.123 0.000 0.856 144 D CB 0.205 41.064 40.800 0.099 0.000 0.922 144 D HN 0.262 nan 8.370 nan 0.000 0.518 145 I N 1.062 121.648 120.570 0.028 0.000 2.720 145 I HA 0.089 4.259 4.170 0.001 0.000 0.287 145 I C 0.442 176.544 176.117 -0.025 0.000 1.090 145 I CA -0.460 60.835 61.300 -0.008 0.000 1.384 145 I CB 1.301 39.290 38.000 -0.018 0.000 1.420 145 I HN -0.241 nan 8.210 nan 0.000 0.575 146 V N 2.540 122.420 119.914 -0.056 0.000 3.114 146 V HA 0.568 4.688 4.120 0.001 0.000 0.308 146 V C -2.834 173.116 176.094 -0.239 0.000 1.168 146 V CA -2.722 59.531 62.300 -0.079 0.000 1.015 146 V CB 1.461 33.300 31.823 0.027 0.000 1.050 146 V HN 0.442 nan 8.190 nan 0.000 0.433 147 P HA 0.327 nan 4.420 nan 0.000 0.264 147 P C 0.998 177.643 177.300 -1.092 0.000 1.183 147 P CA 2.198 64.880 63.100 -0.698 0.000 0.763 147 P CB 0.666 31.831 31.700 -0.891 0.000 0.807 148 G N 2.099 110.059 108.800 -1.400 0.000 2.258 148 G HA2 -0.189 3.771 3.960 0.001 0.000 0.233 148 G HA3 -0.189 3.771 3.960 0.001 0.000 0.233 148 G C -0.158 174.470 174.900 -0.453 0.000 1.006 148 G CA 0.135 44.425 45.100 -1.351 0.000 0.620 148 G HN 0.668 nan 8.290 nan 0.000 0.511 149 D N 1.378 121.605 120.400 -0.288 0.000 2.339 149 D HA 0.486 5.127 4.640 0.001 0.000 0.245 149 D C 0.646 176.907 176.300 -0.064 0.000 1.115 149 D CA -0.855 53.082 54.000 -0.106 0.000 0.917 149 D CB 0.677 41.447 40.800 -0.050 0.000 1.192 149 D HN 0.122 nan 8.370 nan 0.000 0.428 150 I N 1.470 122.051 120.570 0.018 0.000 2.379 150 I HA 0.138 4.309 4.170 0.001 0.000 0.290 150 I C 0.389 176.567 176.117 0.102 0.000 1.063 150 I CA -0.682 60.661 61.300 0.072 0.000 1.351 150 I CB 0.183 38.263 38.000 0.133 0.000 1.410 150 I HN 0.365 nan 8.210 nan 0.000 0.505 151 V N 3.510 123.463 119.914 0.065 0.000 2.769 151 V HA 0.686 4.807 4.120 0.001 0.000 0.312 151 V C -0.378 175.765 176.094 0.081 0.000 1.058 151 V CA -0.792 61.535 62.300 0.045 0.000 0.952 151 V CB 2.431 34.251 31.823 -0.004 0.000 1.019 151 V HN 0.806 nan 8.190 nan 0.000 0.445 152 E N 1.435 121.668 120.200 0.056 0.000 2.248 152 E HA 0.707 5.058 4.350 0.001 0.000 0.267 152 E C -1.412 175.205 176.600 0.029 0.000 0.877 152 E CA -0.777 55.669 56.400 0.077 0.000 0.759 152 E CB 2.383 32.158 29.700 0.125 0.000 1.182 152 E HN 1.050 nan 8.360 nan 0.000 0.418 153 V N 0.161 120.094 119.914 0.031 0.000 2.962 153 V HA 1.033 5.154 4.120 0.001 0.000 0.313 153 V C -0.794 175.316 176.094 0.026 0.000 1.099 153 V CA -0.532 61.780 62.300 0.020 0.000 0.971 153 V CB 1.299 33.130 31.823 0.012 0.000 1.028 153 V HN 0.784 nan 8.190 nan 0.000 0.430 154 A N 2.019 124.853 122.820 0.023 0.000 2.593 154 A HA 0.848 5.169 4.320 0.001 0.000 0.290 154 A C -0.389 177.210 177.584 0.024 0.000 1.126 154 A CA -0.633 51.420 52.037 0.027 0.000 0.695 154 A CB 1.563 20.580 19.000 0.028 0.000 1.290 154 A HN 1.838 nan 8.150 nan 0.000 0.414 155 V N 1.061 120.991 119.914 0.027 0.000 2.814 155 V HA 0.249 4.370 4.120 0.001 0.000 0.298 155 V C 1.740 177.846 176.094 0.021 0.000 1.195 155 V CA 2.132 64.447 62.300 0.026 0.000 1.323 155 V CB -0.618 31.221 31.823 0.027 0.000 0.842 155 V HN 2.502 nan 8.190 nan 0.000 0.494 156 G N 3.216 112.028 108.800 0.021 0.000 2.268 156 G HA2 -0.209 3.751 3.960 0.001 0.000 0.240 156 G HA3 -0.209 3.751 3.960 0.001 0.000 0.240 156 G C -0.002 174.909 174.900 0.018 0.000 1.010 156 G CA 0.125 45.236 45.100 0.018 0.000 0.618 156 G HN 0.710 nan 8.290 nan 0.000 0.516 157 D N 0.806 121.217 120.400 0.019 0.000 2.382 157 D HA 0.414 5.054 4.640 0.001 0.000 0.240 157 D C 0.450 176.767 176.300 0.028 0.000 1.146 157 D CA 0.355 54.366 54.000 0.018 0.000 0.897 157 D CB 0.858 41.667 40.800 0.015 0.000 1.197 157 D HN 0.337 nan 8.370 nan 0.000 0.432 158 K N 0.968 121.386 120.400 0.029 0.000 2.265 158 K HA 0.279 4.599 4.320 0.001 0.000 0.267 158 K C -0.864 175.761 176.600 0.042 0.000 0.994 158 K CA -0.736 55.579 56.287 0.047 0.000 0.860 158 K CB 1.090 33.620 32.500 0.050 0.000 1.099 158 K HN 0.127 nan 8.250 nan 0.000 0.448 159 V N 7.258 127.201 119.914 0.048 0.000 2.539 159 V HA -0.039 4.081 4.120 0.001 0.000 0.300 159 V C -1.170 174.947 176.094 0.038 0.000 1.019 159 V CA -0.595 61.726 62.300 0.035 0.000 1.160 159 V CB 0.710 32.557 31.823 0.040 0.000 0.901 159 V HN 0.832 nan 8.190 nan 0.000 0.481 160 P HA 0.147 nan 4.420 nan 0.000 0.227 160 P C 0.212 177.521 177.300 0.015 0.000 1.161 160 P CA 1.104 64.215 63.100 0.018 0.000 0.788 160 P CB 0.708 32.410 31.700 0.004 0.000 0.822 161 A N -0.733 122.090 122.820 0.004 0.000 2.557 161 A HA 0.496 4.816 4.320 0.001 0.000 0.292 161 A C -1.638 175.940 177.584 -0.009 0.000 1.139 161 A CA -0.589 51.447 52.037 -0.002 0.000 0.665 161 A CB 0.170 19.151 19.000 -0.032 0.000 1.285 161 A HN -0.226 nan 8.150 nan 0.000 0.433 162 D N 0.902 121.299 120.400 -0.005 0.000 2.325 162 D HA 0.539 5.179 4.640 0.001 0.000 0.251 162 D C -0.639 175.604 176.300 -0.096 0.000 1.196 162 D CA 0.872 54.856 54.000 -0.027 0.000 0.866 162 D CB 0.382 41.217 40.800 0.058 0.000 1.101 162 D HN 0.383 nan 8.370 nan 0.000 0.476 163 I N 2.065 122.540 120.570 -0.159 0.000 2.569 163 I HA 0.277 4.448 4.170 0.001 0.000 0.296 163 I C 0.355 176.375 176.117 -0.161 0.000 1.028 163 I CA -1.018 60.201 61.300 -0.135 0.000 1.082 163 I CB 1.768 39.706 38.000 -0.103 0.000 1.264 163 I HN -0.063 nan 8.210 nan 0.000 0.429 164 R N 5.852 126.294 120.500 -0.097 0.000 2.265 164 R HA 0.486 4.827 4.340 0.001 0.000 0.314 164 R C -0.797 175.468 176.300 -0.059 0.000 1.053 164 R CA -0.615 55.439 56.100 -0.076 0.000 0.931 164 R CB 0.531 30.814 30.300 -0.029 0.000 1.024 164 R HN 0.560 nan 8.270 nan 0.000 0.457 165 I N 6.096 126.627 120.570 -0.065 0.000 2.496 165 I HA -0.031 4.139 4.170 0.001 0.000 0.285 165 I C 1.435 177.548 176.117 -0.007 0.000 1.080 165 I CA 0.027 61.304 61.300 -0.039 0.000 1.404 165 I CB 0.849 38.820 38.000 -0.048 0.000 1.403 165 I HN 0.483 nan 8.210 nan 0.000 0.539 166 L N 3.852 125.076 121.223 0.002 0.000 2.362 166 L HA 0.182 4.522 4.340 0.001 0.000 0.204 166 L C 0.752 177.630 176.870 0.013 0.000 1.060 166 L CA 0.585 55.432 54.840 0.012 0.000 0.827 166 L CB 0.261 42.327 42.059 0.011 0.000 1.027 166 L HN 0.649 nan 8.230 nan 0.000 0.474 167 S N -0.325 115.381 115.700 0.011 0.000 2.592 167 S HA 0.472 4.942 4.470 0.001 0.000 0.275 167 S C -1.061 173.549 174.600 0.016 0.000 1.169 167 S CA -0.589 57.618 58.200 0.012 0.000 0.958 167 S CB 1.061 64.261 63.200 0.000 0.000 1.095 167 S HN 0.071 nan 8.310 nan 0.000 0.471 168 I N 5.590 126.174 120.570 0.023 0.000 2.315 168 I HA 0.382 4.553 4.170 0.001 0.000 0.291 168 I C 0.957 177.089 176.117 0.025 0.000 1.006 168 I CA -0.625 60.692 61.300 0.028 0.000 1.265 168 I CB 1.360 39.383 38.000 0.039 0.000 1.387 168 I HN 0.587 nan 8.210 nan 0.000 0.475 169 K N 3.394 123.810 120.400 0.027 0.000 2.262 169 K HA 0.088 4.409 4.320 0.001 0.000 0.200 169 K C 0.842 177.459 176.600 0.030 0.000 1.049 169 K CA 0.402 56.704 56.287 0.024 0.000 0.979 169 K CB -0.147 32.370 32.500 0.028 0.000 0.773 169 K HN 0.668 nan 8.250 nan 0.000 0.474 170 S N -0.003 115.721 115.700 0.040 0.000 2.686 170 S HA 0.186 4.656 4.470 0.001 0.000 0.270 170 S C 1.288 175.919 174.600 0.051 0.000 1.194 170 S CA -0.527 57.703 58.200 0.050 0.000 0.990 170 S CB 0.924 64.162 63.200 0.062 0.000 1.029 170 S HN 0.025 nan 8.310 nan 0.000 0.560 171 T N 1.414 116.007 114.554 0.065 0.000 2.788 171 T HA 0.063 4.414 4.350 0.001 0.000 0.268 171 T C 0.906 175.657 174.700 0.086 0.000 1.044 171 T CA 1.630 63.765 62.100 0.058 0.000 1.139 171 T CB -0.585 68.333 68.868 0.084 0.000 0.867 171 T HN 0.991 nan 8.240 nan 0.000 0.454 172 T N -0.933 113.691 114.554 0.116 0.000 2.853 172 T HA 0.627 4.977 4.350 0.001 0.000 0.311 172 T C -1.681 173.081 174.700 0.102 0.000 1.307 172 T CA -1.058 61.124 62.100 0.136 0.000 1.019 172 T CB 1.862 70.865 68.868 0.227 0.000 1.264 172 T HN -0.021 nan 8.240 nan 0.000 0.497 173 L N 1.826 123.101 121.223 0.086 0.000 2.319 173 L HA 0.654 4.994 4.340 0.001 0.000 0.281 173 L C -0.534 176.367 176.870 0.051 0.000 1.005 173 L CA -0.602 54.273 54.840 0.057 0.000 0.828 173 L CB 1.116 43.198 42.059 0.038 0.000 1.227 173 L HN 0.621 nan 8.230 nan 0.000 0.415 174 R N 4.938 125.462 120.500 0.041 0.000 2.255 174 R HA 0.630 4.970 4.340 0.001 0.000 0.326 174 R C -1.232 175.082 176.300 0.023 0.000 0.986 174 R CA -0.644 55.471 56.100 0.025 0.000 0.847 174 R CB 1.510 31.818 30.300 0.013 0.000 1.111 174 R HN 0.434 nan 8.270 nan 0.000 0.452 175 V N 2.138 122.067 119.914 0.024 0.000 2.604 175 V HA 0.147 4.268 4.120 0.001 0.000 0.305 175 V C -0.345 175.771 176.094 0.037 0.000 1.043 175 V CA -0.931 61.388 62.300 0.033 0.000 0.888 175 V CB 2.317 34.162 31.823 0.037 0.000 0.995 175 V HN 0.573 nan 8.190 nan 0.000 0.429 176 D N 3.346 123.771 120.400 0.042 0.000 2.443 176 D HA 0.286 4.927 4.640 0.001 0.000 0.221 176 D C 0.348 176.678 176.300 0.049 0.000 1.097 176 D CA -0.154 53.870 54.000 0.041 0.000 0.865 176 D CB 1.320 42.144 40.800 0.040 0.000 1.034 176 D HN 0.579 nan 8.370 nan 0.000 0.511 177 Q N 1.905 121.732 119.800 0.044 0.000 2.189 177 Q HA 0.054 4.394 4.340 0.001 0.000 0.221 177 Q C 1.540 177.535 176.000 -0.009 0.000 0.848 177 Q CA -0.145 55.681 55.803 0.038 0.000 1.007 177 Q CB 0.454 29.230 28.738 0.063 0.000 1.116 177 Q HN 0.565 nan 8.270 nan 0.000 0.481 178 S N 0.906 116.604 115.700 -0.003 0.000 2.420 178 S HA -0.221 4.250 4.470 0.001 0.000 0.237 178 S C 1.950 176.511 174.600 -0.065 0.000 1.023 178 S CA 1.384 59.572 58.200 -0.020 0.000 0.991 178 S CB -0.751 62.452 63.200 0.004 0.000 0.792 178 S HN 0.653 nan 8.310 nan 0.000 0.488 179 I N -1.727 118.778 120.570 -0.108 0.000 2.756 179 I HA 0.098 4.268 4.170 0.001 0.000 0.262 179 I C 1.864 177.875 176.117 -0.177 0.000 1.225 179 I CA 1.147 62.322 61.300 -0.209 0.000 1.472 179 I CB -0.346 37.423 38.000 -0.385 0.000 1.094 179 I HN 0.229 nan 8.210 nan 0.000 0.454 180 L N 0.492 121.629 121.223 -0.144 0.000 2.609 180 L HA 0.176 4.516 4.340 0.001 0.000 0.230 180 L C 2.038 178.836 176.870 -0.120 0.000 1.087 180 L CA 0.894 55.636 54.840 -0.165 0.000 0.874 180 L CB 0.064 41.968 42.059 -0.258 0.000 1.114 180 L HN 0.432 nan 8.230 nan 0.000 0.488 181 T N -5.591 108.914 114.554 -0.082 0.000 2.975 181 T HA 0.280 4.630 4.350 0.001 0.000 0.261 181 T C 1.457 176.138 174.700 -0.032 0.000 0.984 181 T CA 0.621 62.691 62.100 -0.050 0.000 0.911 181 T CB 1.108 69.957 68.868 -0.033 0.000 1.127 181 T HN 0.267 nan 8.240 nan 0.000 0.514 182 G N 1.578 110.356 108.800 -0.036 0.000 2.205 182 G HA2 -0.216 3.745 3.960 0.001 0.000 0.261 182 G HA3 -0.216 3.745 3.960 0.001 0.000 0.261 182 G C -0.148 174.749 174.900 -0.006 0.000 0.980 182 G CA 0.218 45.305 45.100 -0.022 0.000 0.632 182 G HN 0.620 nan 8.290 nan 0.000 0.533 183 E N 0.620 120.818 120.200 -0.003 0.000 2.249 183 E HA 0.490 4.840 4.350 0.001 0.000 0.280 183 E C 1.279 177.889 176.600 0.017 0.000 1.016 183 E CA 0.266 56.671 56.400 0.009 0.000 0.830 183 E CB 1.458 31.163 29.700 0.009 0.000 1.081 183 E HN 0.428 nan 8.360 nan 0.000 0.395 184 S N 1.091 116.808 115.700 0.027 0.000 2.528 184 S HA -0.012 4.459 4.470 0.001 0.000 0.219 184 S C 1.057 175.674 174.600 0.028 0.000 0.985 184 S CA -0.344 57.877 58.200 0.034 0.000 0.914 184 S CB 0.143 63.374 63.200 0.051 0.000 0.776 184 S HN 0.299 nan 8.310 nan 0.000 0.526 185 V N 4.471 124.399 119.914 0.024 0.000 2.557 185 V HA 0.262 4.383 4.120 0.001 0.000 0.301 185 V C 0.503 176.602 176.094 0.008 0.000 1.026 185 V CA 0.036 62.344 62.300 0.013 0.000 1.137 185 V CB 0.213 32.043 31.823 0.011 0.000 0.917 185 V HN 0.684 nan 8.190 nan 0.000 0.484 186 S N 6.727 122.424 115.700 -0.005 0.000 2.549 186 S HA 0.389 4.860 4.470 0.001 0.000 0.279 186 S C -0.257 174.341 174.600 -0.004 0.000 1.321 186 S CA -0.078 58.120 58.200 -0.003 0.000 1.054 186 S CB 1.353 64.545 63.200 -0.014 0.000 0.899 186 S HN 1.673 nan 8.310 nan 0.000 0.497 187 V N 4.168 124.091 119.914 0.015 0.000 2.481 187 V HA 0.532 4.653 4.120 0.001 0.000 0.286 187 V C -0.428 175.683 176.094 0.028 0.000 1.042 187 V CA -1.114 61.201 62.300 0.025 0.000 0.928 187 V CB 0.725 32.573 31.823 0.041 0.000 0.986 187 V HN 0.847 nan 8.190 nan 0.000 0.462 188 I N 6.382 126.979 120.570 0.045 0.000 2.337 188 I HA 0.457 4.627 4.170 0.001 0.000 0.291 188 I C 0.550 176.707 176.117 0.067 0.000 1.046 188 I CA -0.171 61.177 61.300 0.079 0.000 1.324 188 I CB 0.649 38.740 38.000 0.151 0.000 1.409 188 I HN 0.683 nan 8.210 nan 0.000 0.494 189 K N 5.812 126.233 120.400 0.035 0.000 2.090 189 K HA 0.509 4.829 4.320 0.001 0.000 0.249 189 K C -0.180 176.435 176.600 0.025 0.000 0.995 189 K CA -0.531 55.729 56.287 -0.045 0.000 0.914 189 K CB 1.516 33.980 32.500 -0.061 0.000 1.057 189 K HN 0.731 nan 8.250 nan 0.000 0.462 190 H N -3.565 115.526 119.070 0.036 0.000 2.942 190 H HA 0.340 4.897 4.556 0.001 0.000 0.316 190 H C 0.206 175.545 175.328 0.019 0.000 1.323 190 H CA -0.718 55.348 56.048 0.031 0.000 1.144 190 H CB 0.644 30.428 29.762 0.037 0.000 1.866 190 H HN 0.501 nan 8.280 nan 0.000 0.545 191 T N -3.084 111.660 114.554 0.316 0.000 3.054 191 T HA 0.243 4.593 4.350 0.001 0.000 0.255 191 T C 0.074 174.907 174.700 0.222 0.000 1.035 191 T CA -0.314 61.901 62.100 0.192 0.000 0.941 191 T CB -0.297 68.626 68.868 0.093 0.000 1.026 191 T HN 0.585 nan 8.240 nan 0.000 0.533 192 E N 3.409 123.797 120.200 0.312 0.000 2.404 192 E HA 0.236 4.587 4.350 0.001 0.000 0.261 192 E C -2.373 174.344 176.600 0.196 0.000 1.074 192 E CA -1.988 54.481 56.400 0.115 0.000 0.917 192 E CB 0.320 29.940 29.700 -0.133 0.000 0.965 192 E HN 0.314 nan 8.360 nan 0.000 0.433 193 P HA 0.027 nan 4.420 nan 0.000 0.274 193 P C -0.653 176.731 177.300 0.141 0.000 1.231 193 P CA -0.142 63.018 63.100 0.099 0.000 0.790 193 P CB 0.721 32.444 31.700 0.037 0.000 0.951 194 V N 4.880 124.892 119.914 0.164 0.000 2.266 194 V HA 0.125 4.246 4.120 0.001 0.000 0.271 194 V C -1.383 174.821 176.094 0.183 0.000 1.032 194 V CA -1.565 60.863 62.300 0.213 0.000 0.806 194 V CB 0.762 32.763 31.823 0.297 0.000 1.052 194 V HN 0.456 nan 8.190 nan 0.000 0.449 195 P HA -0.211 nan 4.420 nan 0.000 0.216 195 P C 0.620 177.976 177.300 0.093 0.000 1.167 195 P CA 1.238 64.377 63.100 0.065 0.000 0.933 195 P CB 0.073 31.807 31.700 0.055 0.000 0.793 196 D N -0.272 120.206 120.400 0.130 0.000 2.554 196 D HA -0.078 4.563 4.640 0.001 0.000 0.251 196 D C -1.121 175.322 176.300 0.238 0.000 1.213 196 D CA -1.020 53.066 54.000 0.144 0.000 0.900 196 D CB 0.236 41.110 40.800 0.124 0.000 1.135 196 D HN 0.197 nan 8.370 nan 0.000 0.522 197 P HA -0.111 nan 4.420 nan 0.000 0.223 197 P C 0.623 178.047 177.300 0.207 0.000 1.151 197 P CA 0.737 63.953 63.100 0.194 0.000 0.787 197 P CB 0.344 32.096 31.700 0.088 0.000 0.788 198 R N -0.238 120.347 120.500 0.143 0.000 2.388 198 R HA 0.376 4.716 4.340 0.001 0.000 0.247 198 R C 0.779 177.128 176.300 0.082 0.000 0.931 198 R CA -0.308 55.855 56.100 0.105 0.000 1.082 198 R CB 0.053 30.407 30.300 0.089 0.000 1.135 198 R HN 0.087 nan 8.270 nan 0.000 0.525 199 A N 1.296 124.158 122.820 0.070 0.000 2.561 199 A HA 0.121 4.441 4.320 0.001 0.000 0.234 199 A C 0.610 178.167 177.584 -0.045 0.000 1.055 199 A CA 0.082 52.118 52.037 -0.001 0.000 0.756 199 A CB 0.388 19.350 19.000 -0.063 0.000 0.986 199 A HN 0.044 nan 8.150 nan 0.000 0.505 200 V N 2.625 122.539 119.914 0.001 0.000 2.997 200 V HA 0.083 4.204 4.120 0.001 0.000 0.311 200 V C 1.425 177.502 176.094 -0.030 0.000 1.066 200 V CA -0.487 61.820 62.300 0.011 0.000 1.039 200 V CB 1.321 33.182 31.823 0.063 0.000 1.081 200 V HN 1.045 nan 8.190 nan 0.000 0.467 201 N N 1.949 120.602 118.700 -0.078 0.000 2.060 201 N HA -0.201 4.540 4.740 0.001 0.000 0.195 201 N C 1.664 177.177 175.510 0.004 0.000 1.028 201 N CA 1.627 54.595 53.050 -0.137 0.000 0.861 201 N CB -0.254 37.968 38.487 -0.442 0.000 1.029 201 N HN 0.772 nan 8.380 nan 0.000 0.428 202 Q N 0.374 120.171 119.800 -0.006 0.000 2.437 202 Q HA -0.050 4.290 4.340 0.001 0.000 0.210 202 Q C 0.246 176.278 176.000 0.053 0.000 0.972 202 Q CA 0.951 56.774 55.803 0.033 0.000 0.903 202 Q CB -0.116 28.634 28.738 0.020 0.000 0.967 202 Q HN 0.407 nan 8.270 nan 0.000 0.486 203 D N 1.465 121.893 120.400 0.046 0.000 2.327 203 D HA 0.027 4.667 4.640 0.001 0.000 0.205 203 D C 0.069 176.402 176.300 0.056 0.000 0.989 203 D CA 0.309 54.341 54.000 0.054 0.000 0.873 203 D CB 0.270 41.095 40.800 0.042 0.000 0.955 203 D HN 0.284 nan 8.370 nan 0.000 0.515 204 K N 1.758 122.193 120.400 0.059 0.000 2.480 204 K HA 0.118 4.439 4.320 0.001 0.000 0.241 204 K C 0.844 177.451 176.600 0.011 0.000 1.261 204 K CA 0.008 56.327 56.287 0.054 0.000 1.193 204 K CB 0.244 32.816 32.500 0.121 0.000 1.598 204 K HN -0.030 nan 8.250 nan 0.000 0.278 205 K N 0.988 121.346 120.400 -0.070 0.000 2.555 205 K HA -0.080 4.241 4.320 0.001 0.000 0.193 205 K C 0.801 177.127 176.600 -0.457 0.000 1.032 205 K CA 0.625 56.773 56.287 -0.233 0.000 1.004 205 K CB -0.005 32.348 32.500 -0.245 0.000 0.804 205 K HN 0.392 nan 8.250 nan 0.000 0.496 206 N N -0.212 118.296 118.700 -0.320 0.000 2.187 206 N HA 0.035 4.776 4.740 0.001 0.000 0.212 206 N C -0.136 175.270 175.510 -0.174 0.000 1.152 206 N CA -0.004 52.904 53.050 -0.236 0.000 0.872 206 N CB 0.398 38.846 38.487 -0.066 0.000 1.025 206 N HN -0.095 nan 8.380 nan 0.000 0.514 207 M N 0.727 120.173 119.600 -0.256 0.000 2.598 207 M HA 0.476 4.956 4.480 0.001 0.000 0.317 207 M C -0.788 175.140 176.300 -0.621 0.000 1.179 207 M CA -0.604 54.424 55.300 -0.453 0.000 0.936 207 M CB 2.325 34.529 32.600 -0.661 0.000 1.713 207 M HN -0.088 nan 8.290 nan 0.000 0.460 208 L N 1.937 122.797 121.223 -0.606 0.000 2.346 208 L HA 0.598 4.939 4.340 0.001 0.000 0.276 208 L C -1.372 175.177 176.870 -0.534 0.000 1.006 208 L CA -0.451 54.130 54.840 -0.432 0.000 0.817 208 L CB 1.648 43.594 42.059 -0.188 0.000 1.272 208 L HN 0.530 nan 8.230 nan 0.000 0.421 209 F N 0.569 120.510 119.950 -0.016 0.000 2.469 209 F HA 0.297 4.824 4.527 0.001 0.000 0.332 209 F C 0.854 176.648 175.800 -0.011 0.000 1.103 209 F CA -0.639 57.350 58.000 -0.018 0.000 0.979 209 F CB 1.971 40.955 39.000 -0.027 0.000 1.137 209 F HN 0.332 nan 8.300 nan 0.000 0.463 210 S N 1.762 117.568 115.700 0.176 0.000 2.563 210 S HA 0.349 4.819 4.470 0.001 0.000 0.294 210 S C 1.022 175.685 174.600 0.105 0.000 1.279 210 S CA 1.155 59.418 58.200 0.106 0.000 1.069 210 S CB -0.101 63.147 63.200 0.082 0.000 0.828 210 S HN 1.159 nan 8.310 nan 0.000 0.497 211 G N 3.518 112.381 108.800 0.106 0.000 2.254 211 G HA2 -0.220 3.741 3.960 0.001 0.000 0.225 211 G HA3 -0.220 3.741 3.960 0.001 0.000 0.225 211 G C 0.391 175.367 174.900 0.126 0.000 1.003 211 G CA 0.216 45.394 45.100 0.131 0.000 0.622 211 G HN 0.847 nan 8.290 nan 0.000 0.507 212 T N 2.491 117.108 114.554 0.105 0.000 2.788 212 T HA 0.525 4.875 4.350 0.001 0.000 0.287 212 T C 0.256 175.012 174.700 0.094 0.000 1.007 212 T CA 0.419 62.577 62.100 0.098 0.000 1.005 212 T CB 0.883 69.827 68.868 0.126 0.000 1.012 212 T HN 0.778 nan 8.240 nan 0.000 0.530 213 N N 0.208 118.956 118.700 0.080 0.000 2.284 213 N HA 0.350 5.091 4.740 0.001 0.000 0.289 213 N C -1.682 173.856 175.510 0.048 0.000 1.179 213 N CA -0.751 52.337 53.050 0.064 0.000 0.774 213 N CB 1.382 39.909 38.487 0.068 0.000 1.548 213 N HN 0.256 nan 8.380 nan 0.000 0.473 214 I N 1.347 121.940 120.570 0.037 0.000 2.352 214 I HA 0.222 4.393 4.170 0.001 0.000 0.290 214 I C 1.483 177.617 176.117 0.028 0.000 1.036 214 I CA -0.203 61.115 61.300 0.031 0.000 1.336 214 I CB 1.133 39.149 38.000 0.026 0.000 1.407 214 I HN 0.847 nan 8.210 nan 0.000 0.497 215 A N 5.152 127.987 122.820 0.026 0.000 1.975 215 A HA 0.665 4.985 4.320 0.001 0.000 0.215 215 A C 0.966 178.563 177.584 0.021 0.000 1.170 215 A CA 1.115 53.164 52.037 0.021 0.000 0.656 215 A CB -0.016 18.992 19.000 0.014 0.000 0.821 215 A HN 0.808 nan 8.150 nan 0.000 0.449 216 A N -2.930 119.906 122.820 0.027 0.000 2.594 216 A HA 0.635 4.955 4.320 0.001 0.000 0.296 216 A C 0.179 177.789 177.584 0.042 0.000 1.056 216 A CA 0.195 52.253 52.037 0.035 0.000 0.693 216 A CB -0.034 18.988 19.000 0.036 0.000 1.278 216 A HN 2.154 nan 8.150 nan 0.000 0.408 217 G N 0.261 109.089 108.800 0.047 0.000 2.483 217 G HA2 0.420 4.381 3.960 0.001 0.000 0.521 217 G HA3 0.420 4.381 3.960 0.001 0.000 0.521 217 G C -0.709 174.216 174.900 0.043 0.000 1.278 217 G CA -0.089 45.041 45.100 0.050 0.000 0.965 217 G HN 1.436 nan 8.290 nan 0.000 0.504 218 K N -0.614 119.812 120.400 0.043 0.000 2.550 218 K HA 0.727 5.047 4.320 0.001 0.000 0.252 218 K C -0.608 176.016 176.600 0.039 0.000 0.943 218 K CA -0.034 56.278 56.287 0.041 0.000 0.806 218 K CB 1.570 34.097 32.500 0.044 0.000 1.289 218 K HN 2.121 nan 8.250 nan 0.000 0.435 219 A N 2.919 125.762 122.820 0.037 0.000 2.609 219 A HA 0.718 5.038 4.320 0.001 0.000 0.291 219 A C -2.253 175.355 177.584 0.040 0.000 1.096 219 A CA -0.730 51.327 52.037 0.032 0.000 0.684 219 A CB 1.568 20.580 19.000 0.020 0.000 1.282 219 A HN 0.529 nan 8.150 nan 0.000 0.412 220 L N 0.347 121.591 121.223 0.034 0.000 2.346 220 L HA 0.914 5.255 4.340 0.001 0.000 0.274 220 L C 0.332 177.214 176.870 0.021 0.000 1.007 220 L CA 0.655 55.521 54.840 0.044 0.000 0.818 220 L CB 1.992 44.069 42.059 0.030 0.000 1.284 220 L HN 1.331 nan 8.230 nan 0.000 0.424 221 G N 3.515 112.328 108.800 0.022 0.000 2.721 221 G HA2 0.513 4.474 3.960 0.001 0.000 0.296 221 G HA3 0.513 4.474 3.960 0.001 0.000 0.296 221 G C -2.049 172.852 174.900 0.001 0.000 1.383 221 G CA -0.565 44.536 45.100 0.002 0.000 0.788 221 G HN 0.738 nan 8.290 nan 0.000 0.500 222 I N 0.412 120.975 120.570 -0.012 0.000 2.509 222 I HA 0.576 4.746 4.170 0.001 0.000 0.293 222 I C -0.342 175.732 176.117 -0.072 0.000 1.020 222 I CA -0.984 60.299 61.300 -0.028 0.000 1.088 222 I CB 1.961 39.977 38.000 0.028 0.000 1.267 222 I HN 0.290 nan 8.210 nan 0.000 0.430 223 V N 8.086 127.913 119.914 -0.146 0.000 2.585 223 V HA 0.168 4.289 4.120 0.001 0.000 0.296 223 V C 1.055 177.034 176.094 -0.192 0.000 1.035 223 V CA 0.795 62.990 62.300 -0.175 0.000 1.084 223 V CB 0.698 32.393 31.823 -0.214 0.000 0.953 223 V HN 0.977 nan 8.190 nan 0.000 0.483 224 A N 4.294 127.054 122.820 -0.099 0.000 1.942 224 A HA 0.355 4.676 4.320 0.001 0.000 0.209 224 A C 1.020 178.560 177.584 -0.074 0.000 1.214 224 A CA 1.018 53.044 52.037 -0.019 0.000 0.686 224 A CB 0.244 19.230 19.000 -0.024 0.000 0.871 224 A HN 0.886 nan 8.150 nan 0.000 0.460 225 T N -3.117 111.378 114.554 -0.098 0.000 2.843 225 T HA 0.604 4.955 4.350 0.001 0.000 0.302 225 T C -0.472 174.176 174.700 -0.087 0.000 1.232 225 T CA 0.168 62.201 62.100 -0.111 0.000 1.009 225 T CB 1.586 70.427 68.868 -0.045 0.000 1.254 225 T HN 0.790 nan 8.240 nan 0.000 0.504 226 T N -2.242 112.267 114.554 -0.075 0.000 2.696 226 T HA 0.813 5.163 4.350 0.001 0.000 0.291 226 T C 1.007 175.713 174.700 0.010 0.000 1.095 226 T CA 0.146 62.228 62.100 -0.030 0.000 1.026 226 T CB 0.974 69.820 68.868 -0.038 0.000 1.390 226 T HN 2.256 nan 8.240 nan 0.000 0.513 227 G N 0.107 108.926 108.800 0.032 0.000 2.596 227 G HA2 -0.288 3.672 3.960 0.001 0.000 0.295 227 G HA3 -0.288 3.672 3.960 0.001 0.000 0.295 227 G C 0.949 175.872 174.900 0.039 0.000 1.240 227 G CA 0.658 45.786 45.100 0.047 0.000 0.985 227 G HN 1.565 nan 8.290 nan 0.000 0.555 228 V N 1.025 120.963 119.914 0.041 0.000 2.970 228 V HA -0.018 4.102 4.120 0.001 0.000 0.260 228 V C 2.634 178.744 176.094 0.027 0.000 1.100 228 V CA 2.516 64.835 62.300 0.032 0.000 1.122 228 V CB 0.170 32.013 31.823 0.033 0.000 0.721 228 V HN 0.628 nan 8.190 nan 0.000 0.483 229 S N 0.010 115.729 115.700 0.031 0.000 2.607 229 S HA 0.003 4.473 4.470 0.001 0.000 0.224 229 S C 1.093 175.710 174.600 0.028 0.000 0.969 229 S CA 0.616 58.832 58.200 0.028 0.000 0.927 229 S CB -0.375 62.841 63.200 0.026 0.000 0.772 229 S HN 0.851 nan 8.310 nan 0.000 0.533 230 T N -0.682 113.891 114.554 0.032 0.000 2.897 230 T HA 0.368 4.718 4.350 0.001 0.000 0.278 230 T C 0.976 175.697 174.700 0.035 0.000 0.981 230 T CA -0.748 61.384 62.100 0.054 0.000 0.973 230 T CB 0.820 69.726 68.868 0.062 0.000 1.092 230 T HN -0.167 nan 8.240 nan 0.000 0.543 231 E N 0.022 120.248 120.200 0.044 0.000 2.051 231 E HA -0.068 4.282 4.350 0.001 0.000 0.192 231 E C 1.854 178.416 176.600 -0.064 0.000 0.991 231 E CA 0.889 57.255 56.400 -0.056 0.000 0.799 231 E CB -0.354 29.224 29.700 -0.202 0.000 0.748 231 E HN 0.714 nan 8.360 nan 0.000 0.449 232 I N 0.634 121.184 120.570 -0.034 0.000 2.614 232 I HA -0.125 4.046 4.170 0.001 0.000 0.258 232 I C 1.963 178.067 176.117 -0.022 0.000 1.189 232 I CA 1.052 62.327 61.300 -0.042 0.000 1.462 232 I CB -0.102 37.887 38.000 -0.019 0.000 1.092 232 I HN 0.033 nan 8.210 nan 0.000 0.442 233 G N 0.609 109.406 108.800 -0.004 0.000 2.403 233 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 233 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 233 G C 1.684 176.577 174.900 -0.013 0.000 1.154 233 G CA 0.356 45.458 45.100 0.002 0.000 0.784 233 G HN 0.328 nan 8.290 nan 0.000 0.538 234 K N -0.023 120.361 120.400 -0.027 0.000 2.097 234 K HA 0.067 4.388 4.320 0.001 0.000 0.206 234 K C 2.374 178.945 176.600 -0.048 0.000 1.049 234 K CA 0.763 57.026 56.287 -0.040 0.000 0.933 234 K CB -0.210 32.255 32.500 -0.058 0.000 0.717 234 K HN 0.315 nan 8.250 nan 0.000 0.442 235 I N 1.007 121.543 120.570 -0.056 0.000 2.179 235 I HA -0.285 3.886 4.170 0.001 0.000 0.242 235 I C 2.755 178.849 176.117 -0.039 0.000 1.088 235 I CA 0.993 62.258 61.300 -0.059 0.000 1.357 235 I CB -0.272 37.685 38.000 -0.072 0.000 1.051 235 I HN 0.178 nan 8.210 nan 0.000 0.409 236 R N 1.230 121.715 120.500 -0.026 0.000 2.081 236 R HA -0.203 4.137 4.340 0.001 0.000 0.235 236 R C 1.669 177.960 176.300 -0.014 0.000 1.131 236 R CA 2.075 58.168 56.100 -0.012 0.000 0.960 236 R CB -0.573 29.727 30.300 0.001 0.000 0.856 236 R HN 0.305 nan 8.270 nan 0.000 0.436 237 D N 0.603 120.993 120.400 -0.016 0.000 2.144 237 D HA -0.139 4.501 4.640 0.001 0.000 0.199 237 D C 2.049 178.334 176.300 -0.024 0.000 0.984 237 D CA 0.937 54.927 54.000 -0.016 0.000 0.834 237 D CB -0.123 40.668 40.800 -0.015 0.000 0.955 237 D HN 0.309 nan 8.370 nan 0.000 0.465 238 Q N -0.535 119.245 119.800 -0.033 0.000 2.167 238 Q HA -0.057 4.283 4.340 0.001 0.000 0.202 238 Q C 1.928 177.907 176.000 -0.034 0.000 0.970 238 Q CA 0.705 56.484 55.803 -0.040 0.000 0.855 238 Q CB -0.042 28.664 28.738 -0.052 0.000 0.911 238 Q HN 0.330 nan 8.270 nan 0.000 0.438 239 M N -0.468 119.115 119.600 -0.029 0.000 2.460 239 M HA -0.016 4.464 4.480 0.001 0.000 0.263 239 M C 1.401 177.690 176.300 -0.019 0.000 1.071 239 M CA 0.548 55.834 55.300 -0.023 0.000 1.096 239 M CB -0.755 31.835 32.600 -0.017 0.000 1.408 239 M HN -0.021 nan 8.290 nan 0.000 0.463 240 A N 0.778 123.588 122.820 -0.018 0.000 2.543 240 A HA 0.451 4.772 4.320 0.001 0.000 0.258 240 A C 0.960 178.534 177.584 -0.017 0.000 1.391 240 A CA 0.105 52.134 52.037 -0.014 0.000 1.066 240 A CB -1.001 17.993 19.000 -0.010 0.000 0.972 240 A HN 0.326 nan 8.150 nan 0.000 0.560 241 A N 0.041 122.849 122.820 -0.020 0.000 3.056 241 A HA 0.411 4.732 4.320 0.001 0.000 0.274 241 A C 1.288 178.861 177.584 -0.018 0.000 1.661 241 A CA 0.182 52.206 52.037 -0.022 0.000 1.363 241 A CB -0.796 18.188 19.000 -0.027 0.000 1.139 241 A HN 0.359 nan 8.150 nan 0.000 0.598 242 T N 0.680 115.225 114.554 -0.015 0.000 2.867 242 T HA -0.060 4.291 4.350 0.001 0.000 0.268 242 T C 0.686 175.379 174.700 -0.012 0.000 1.057 242 T CA 0.863 62.955 62.100 -0.012 0.000 1.136 242 T CB -0.153 68.710 68.868 -0.009 0.000 0.874 242 T HN 0.635 nan 8.240 nan 0.000 0.466 243 E N 3.045 123.237 120.200 -0.013 0.000 2.562 243 E HA -0.009 4.341 4.350 0.001 0.000 0.241 243 E C 0.025 176.617 176.600 -0.013 0.000 1.136 243 E CA 0.250 56.643 56.400 -0.012 0.000 0.952 243 E CB -0.197 29.495 29.700 -0.013 0.000 0.975 243 E HN 0.560 nan 8.360 nan 0.000 0.494 244 Q N 2.756 122.550 119.800 -0.010 0.000 2.295 244 Q HA 0.023 4.364 4.340 0.001 0.000 0.259 244 Q C -0.526 175.469 176.000 -0.008 0.000 0.976 244 Q CA -0.216 55.581 55.803 -0.011 0.000 0.923 244 Q CB 0.690 29.423 28.738 -0.010 0.000 1.185 244 Q HN 0.286 nan 8.270 nan 0.000 0.410 245 D N 3.807 124.201 120.400 -0.010 0.000 2.198 245 D HA 0.196 4.837 4.640 0.001 0.000 0.245 245 D C -0.838 175.459 176.300 -0.005 0.000 1.079 245 D CA -0.301 53.694 54.000 -0.008 0.000 0.854 245 D CB 0.954 41.748 40.800 -0.011 0.000 1.148 245 D HN 0.434 nan 8.370 nan 0.000 0.456 246 K N 1.422 121.821 120.400 -0.001 0.000 2.218 246 K HA 0.203 4.524 4.320 0.001 0.000 0.276 246 K C 0.713 177.314 176.600 0.002 0.000 1.022 246 K CA -0.542 55.747 56.287 0.003 0.000 0.946 246 K CB 0.966 33.472 32.500 0.010 0.000 1.000 246 K HN 0.479 nan 8.250 nan 0.000 0.468 247 T N -0.647 113.907 114.554 0.001 0.000 2.734 247 T HA 0.037 4.388 4.350 0.001 0.000 0.314 247 T C -1.284 173.415 174.700 -0.000 0.000 1.057 247 T CA -1.287 60.810 62.100 -0.005 0.000 1.047 247 T CB 0.378 69.242 68.868 -0.007 0.000 0.991 247 T HN 0.360 nan 8.240 nan 0.000 0.540 248 P HA -0.131 nan 4.420 nan 0.000 0.215 248 P C 1.821 179.133 177.300 0.021 0.000 1.157 248 P CA 0.767 63.862 63.100 -0.008 0.000 0.868 248 P CB -0.066 31.607 31.700 -0.046 0.000 0.788 249 L N 0.178 121.421 121.223 0.034 0.000 2.083 249 L HA -0.150 4.191 4.340 0.001 0.000 0.209 249 L C 2.595 179.500 176.870 0.060 0.000 1.083 249 L CA 1.856 56.748 54.840 0.088 0.000 0.752 249 L CB -1.545 40.602 42.059 0.147 0.000 0.899 249 L HN -0.096 nan 8.230 nan 0.000 0.433 250 Q N -1.120 118.706 119.800 0.043 0.000 2.167 250 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 250 Q C 2.178 178.204 176.000 0.043 0.000 0.970 250 Q CA 1.644 57.470 55.803 0.039 0.000 0.855 250 Q CB -0.169 28.586 28.738 0.027 0.000 0.911 250 Q HN 0.677 nan 8.270 nan 0.000 0.438 251 Q N 0.251 120.074 119.800 0.039 0.000 2.123 251 Q HA -0.090 4.251 4.340 0.001 0.000 0.199 251 Q C 1.924 177.959 176.000 0.058 0.000 0.966 251 Q CA 0.685 56.512 55.803 0.041 0.000 0.845 251 Q CB 0.148 28.904 28.738 0.031 0.000 0.907 251 Q HN 0.119 nan 8.270 nan 0.000 0.439 252 K N 0.425 120.862 120.400 0.062 0.000 2.148 252 K HA -0.095 4.226 4.320 0.001 0.000 0.204 252 K C 1.869 178.527 176.600 0.096 0.000 1.050 252 K CA 0.725 57.057 56.287 0.076 0.000 0.942 252 K CB -0.040 32.502 32.500 0.069 0.000 0.724 252 K HN 0.141 nan 8.250 nan 0.000 0.446 253 L N 1.391 122.663 121.223 0.081 0.000 2.313 253 L HA -0.097 4.243 4.340 0.001 0.000 0.214 253 L C 1.597 178.569 176.870 0.170 0.000 1.119 253 L CA 1.478 56.383 54.840 0.108 0.000 0.809 253 L CB -0.253 41.843 42.059 0.063 0.000 0.933 253 L HN 0.054 nan 8.230 nan 0.000 0.449 254 D N -0.590 119.879 120.400 0.115 0.000 2.162 254 D HA -0.144 4.497 4.640 0.001 0.000 0.203 254 D C 1.970 178.326 176.300 0.093 0.000 0.967 254 D CA 1.099 55.155 54.000 0.094 0.000 0.840 254 D CB 0.181 41.016 40.800 0.059 0.000 0.972 254 D HN 0.560 nan 8.370 nan 0.000 0.482 255 E N 0.101 120.365 120.200 0.105 0.000 2.208 255 E HA -0.148 4.203 4.350 0.001 0.000 0.193 255 E C 1.971 178.640 176.600 0.114 0.000 0.988 255 E CA 0.427 56.880 56.400 0.089 0.000 0.828 255 E CB -0.617 29.135 29.700 0.087 0.000 0.763 255 E HN 0.199 nan 8.360 nan 0.000 0.478 256 F N 2.377 122.338 119.950 0.018 0.000 2.102 256 F HA 0.032 4.560 4.527 0.001 0.000 0.298 256 F C 2.218 178.023 175.800 0.007 0.000 1.105 256 F CA 2.023 60.032 58.000 0.014 0.000 1.239 256 F CB -0.684 38.322 39.000 0.010 0.000 0.991 256 F HN 0.080 nan 8.300 nan 0.000 0.474 257 G N -0.159 108.613 108.800 -0.048 0.000 2.443 257 G HA2 -0.177 3.783 3.960 0.001 0.000 0.219 257 G HA3 -0.177 3.783 3.960 0.001 0.000 0.219 257 G C 1.561 176.375 174.900 -0.143 0.000 1.131 257 G CA 0.613 45.621 45.100 -0.153 0.000 0.775 257 G HN 0.314 nan 8.290 nan 0.000 0.547 258 E N 0.583 120.738 120.200 -0.075 0.000 2.007 258 E HA -0.117 4.234 4.350 0.001 0.000 0.194 258 E C 2.740 179.285 176.600 -0.090 0.000 0.999 258 E CA 0.919 57.285 56.400 -0.058 0.000 0.811 258 E CB -0.302 29.388 29.700 -0.017 0.000 0.762 258 E HN 0.316 nan 8.360 nan 0.000 0.450 259 Q N 0.303 120.043 119.800 -0.100 0.000 2.170 259 Q HA -0.113 4.227 4.340 0.001 0.000 0.203 259 Q C 2.327 178.225 176.000 -0.170 0.000 0.976 259 Q CA 0.524 56.266 55.803 -0.102 0.000 0.858 259 Q CB -0.469 28.234 28.738 -0.059 0.000 0.907 259 Q HN 0.173 nan 8.270 nan 0.000 0.433 260 L N 1.173 122.214 121.223 -0.303 0.000 2.017 260 L HA -0.150 4.191 4.340 0.001 0.000 0.208 260 L C 2.263 179.009 176.870 -0.208 0.000 1.073 260 L CA 2.248 56.878 54.840 -0.350 0.000 0.745 260 L CB -0.868 40.828 42.059 -0.605 0.000 0.894 260 L HN 0.245 nan 8.230 nan 0.000 0.432 261 S N -1.733 113.866 115.700 -0.168 0.000 2.469 261 S HA -0.191 4.279 4.470 0.001 0.000 0.238 261 S C 1.982 176.526 174.600 -0.094 0.000 0.998 261 S CA 1.152 59.285 58.200 -0.112 0.000 0.957 261 S CB -0.316 62.832 63.200 -0.086 0.000 0.764 261 S HN 0.417 nan 8.310 nan 0.000 0.514 262 K N 1.429 121.772 120.400 -0.095 0.000 2.078 262 K HA 0.263 4.583 4.320 0.001 0.000 0.203 262 K C 1.906 178.461 176.600 -0.074 0.000 1.043 262 K CA 1.144 57.387 56.287 -0.072 0.000 0.960 262 K CB -0.800 31.665 32.500 -0.059 0.000 0.761 262 K HN 0.202 nan 8.250 nan 0.000 0.448 263 V N 1.625 121.486 119.914 -0.089 0.000 2.332 263 V HA -0.267 3.854 4.120 0.001 0.000 0.248 263 V C 2.236 178.275 176.094 -0.092 0.000 1.055 263 V CA 1.884 64.129 62.300 -0.091 0.000 1.038 263 V CB -0.481 31.279 31.823 -0.105 0.000 0.651 263 V HN 0.278 nan 8.190 nan 0.000 0.450 264 I N 1.199 121.711 120.570 -0.095 0.000 2.091 264 I HA -0.299 3.871 4.170 0.001 0.000 0.239 264 I C 2.773 178.852 176.117 -0.064 0.000 1.061 264 I CA 2.187 63.439 61.300 -0.080 0.000 1.317 264 I CB -0.630 37.319 38.000 -0.084 0.000 1.031 264 I HN 0.512 nan 8.210 nan 0.000 0.401 265 S N 1.022 116.681 115.700 -0.068 0.000 2.383 265 S HA -0.176 4.294 4.470 0.001 0.000 0.229 265 S C 2.085 176.662 174.600 -0.038 0.000 1.030 265 S CA 0.785 58.947 58.200 -0.062 0.000 1.002 265 S CB -0.755 62.401 63.200 -0.072 0.000 0.829 265 S HN 0.352 nan 8.310 nan 0.000 0.467 266 L N 1.728 122.927 121.223 -0.040 0.000 2.012 266 L HA 0.028 4.368 4.340 0.001 0.000 0.210 266 L C 2.340 179.207 176.870 -0.003 0.000 1.073 266 L CA 1.800 56.627 54.840 -0.022 0.000 0.748 266 L CB -1.064 40.971 42.059 -0.040 0.000 0.891 266 L HN 0.399 nan 8.230 nan 0.000 0.431 267 I N -1.113 119.437 120.570 -0.033 0.000 2.315 267 I HA -0.339 3.831 4.170 0.001 0.000 0.248 267 I C 2.696 178.879 176.117 0.109 0.000 1.117 267 I CA 0.933 62.227 61.300 -0.011 0.000 1.404 267 I CB -0.444 37.509 38.000 -0.079 0.000 1.071 267 I HN 0.304 nan 8.210 nan 0.000 0.419 268 C N 0.158 119.498 119.300 0.067 0.000 2.419 268 C HA -0.097 4.364 4.460 0.001 0.000 0.281 268 C C 2.864 177.956 174.990 0.171 0.000 1.336 268 C CA 0.498 59.577 59.018 0.101 0.000 1.770 268 C CB -0.750 26.995 27.740 0.008 0.000 1.929 268 C HN 0.358 nan 8.230 nan 0.000 0.509 269 V N 1.033 121.024 119.914 0.129 0.000 2.407 269 V HA -0.110 4.010 4.120 0.001 0.000 0.245 269 V C 2.696 178.954 176.094 0.275 0.000 1.041 269 V CA 1.950 64.358 62.300 0.181 0.000 1.040 269 V CB -1.199 30.686 31.823 0.102 0.000 0.671 269 V HN 0.553 nan 8.190 nan 0.000 0.455 270 A N 0.207 123.165 122.820 0.231 0.000 1.883 270 A HA -0.183 4.137 4.320 0.001 0.000 0.217 270 A C 2.375 180.148 177.584 0.316 0.000 1.186 270 A CA 2.266 54.465 52.037 0.270 0.000 0.624 270 A CB -0.765 18.417 19.000 0.303 0.000 0.822 270 A HN 0.342 nan 8.150 nan 0.000 0.444 271 V N -2.672 117.450 119.914 0.347 0.000 2.407 271 V HA -0.238 3.882 4.120 0.001 0.000 0.248 271 V C 2.121 178.473 176.094 0.431 0.000 1.055 271 V CA 1.715 64.199 62.300 0.306 0.000 1.049 271 V CB -0.903 31.055 31.823 0.225 0.000 0.662 271 V HN 0.846 nan 8.190 nan 0.000 0.455 272 W N -0.168 121.337 121.300 0.341 0.000 2.825 272 W HA 0.088 4.749 4.660 0.001 0.000 0.243 272 W C 1.703 178.331 176.519 0.182 0.000 1.293 272 W CA 0.884 58.427 57.345 0.331 0.000 1.403 272 W CB 0.099 29.618 29.460 0.097 0.000 1.134 272 W HN 0.178 nan 8.180 nan 0.000 0.666 273 L N -0.905 120.451 121.223 0.223 0.000 2.537 273 L HA 0.091 4.431 4.340 0.001 0.000 0.224 273 L C 1.993 178.895 176.870 0.053 0.000 1.065 273 L CA 0.144 55.030 54.840 0.077 0.000 0.860 273 L CB -0.307 41.845 42.059 0.156 0.000 1.086 273 L HN -0.145 nan 8.230 nan 0.000 0.482 274 I N 0.223 120.857 120.570 0.107 0.000 2.439 274 I HA -0.171 3.999 4.170 0.001 0.000 0.251 274 I C 0.550 176.698 176.117 0.052 0.000 1.139 274 I CA 0.854 62.199 61.300 0.074 0.000 1.438 274 I CB -0.131 37.909 38.000 0.067 0.000 1.085 274 I HN 0.271 nan 8.210 nan 0.000 0.427 275 N N 1.907 120.658 118.700 0.084 0.000 3.245 275 N HA 0.207 4.948 4.740 0.001 0.000 0.296 275 N C 0.998 176.527 175.510 0.031 0.000 1.254 275 N CA 0.185 53.298 53.050 0.105 0.000 1.190 275 N CB 0.576 39.232 38.487 0.281 0.000 1.460 275 N HN 0.366 nan 8.380 nan 0.000 0.538 276 I N -0.658 119.907 120.570 -0.008 0.000 2.193 276 I HA -0.061 4.109 4.170 0.001 0.000 0.240 276 I C 1.719 177.834 176.117 -0.003 0.000 1.084 276 I CA 0.791 62.066 61.300 -0.042 0.000 1.365 276 I CB -0.132 37.851 38.000 -0.028 0.000 1.064 276 I HN 0.276 nan 8.210 nan 0.000 0.410 277 G N -0.016 108.788 108.800 0.006 0.000 3.343 277 G HA2 0.020 3.981 3.960 0.001 0.000 0.264 277 G HA3 0.020 3.981 3.960 0.001 0.000 0.264 277 G C 0.572 175.472 174.900 0.000 0.000 0.884 277 G CA -0.059 45.043 45.100 0.003 0.000 1.916 277 G HN 0.300 nan 8.290 nan 0.000 0.618 278 H N 1.372 120.436 119.070 -0.010 0.000 2.426 278 H HA 0.192 4.749 4.556 0.001 0.000 0.286 278 H C 0.386 175.683 175.328 -0.050 0.000 0.990 278 H CA 0.351 56.392 56.048 -0.011 0.000 1.237 278 H CB 0.609 30.432 29.762 0.102 0.000 1.466 278 H HN 0.383 nan 8.280 nan 0.000 0.525 279 F N 1.307 121.281 119.950 0.040 0.000 2.750 279 F HA 0.290 4.817 4.527 0.001 0.000 0.297 279 F C 1.357 177.165 175.800 0.013 0.000 1.138 279 F CA -0.088 57.897 58.000 -0.024 0.000 1.346 279 F CB -0.032 38.843 39.000 -0.207 0.000 0.965 279 F HN 0.147 nan 8.300 nan 0.000 0.514 280 N N -0.259 118.510 118.700 0.116 0.000 2.409 280 N HA -0.035 4.706 4.740 0.001 0.000 0.174 280 N C -0.026 175.508 175.510 0.040 0.000 1.037 280 N CA 0.274 53.371 53.050 0.078 0.000 0.898 280 N CB 0.189 38.702 38.487 0.043 0.000 1.010 280 N HN 0.234 nan 8.380 nan 0.000 0.445 281 D N 1.289 121.686 120.400 -0.005 0.000 2.217 281 D HA 0.204 4.844 4.640 0.001 0.000 0.248 281 D C -2.715 173.564 176.300 -0.035 0.000 1.008 281 D CA -1.956 52.028 54.000 -0.027 0.000 0.914 281 D CB 0.863 41.625 40.800 -0.062 0.000 1.182 281 D HN -0.179 nan 8.370 nan 0.000 0.451 282 P HA 0.008 nan 4.420 nan 0.000 0.254 282 P C -0.429 176.852 177.300 -0.031 0.000 1.467 282 P CA -0.016 63.082 63.100 -0.004 0.000 1.281 282 P CB 0.120 31.827 31.700 0.011 0.000 1.754 283 V N 3.282 123.150 119.914 -0.077 0.000 2.435 283 V HA 0.212 4.332 4.120 0.001 0.000 0.290 283 V C 0.777 176.836 176.094 -0.057 0.000 1.030 283 V CA -0.141 62.090 62.300 -0.115 0.000 0.881 283 V CB 1.372 33.033 31.823 -0.271 0.000 0.983 283 V HN 0.493 nan 8.190 nan 0.000 0.445 284 H N 4.347 123.369 119.070 -0.080 0.000 2.729 284 H HA 0.274 4.831 4.556 0.001 0.000 0.263 284 H C 1.704 177.012 175.328 -0.032 0.000 0.961 284 H CA 1.184 57.212 56.048 -0.033 0.000 1.217 284 H CB 0.826 30.579 29.762 -0.016 0.000 1.447 284 H HN 0.763 nan 8.280 nan 0.000 0.496 285 G N -0.120 108.743 108.800 0.105 0.000 2.448 285 G HA2 -0.088 3.872 3.960 0.001 0.000 0.218 285 G HA3 -0.088 3.872 3.960 0.001 0.000 0.218 285 G C 1.090 176.003 174.900 0.020 0.000 1.135 285 G CA 0.564 45.701 45.100 0.063 0.000 0.784 285 G HN 0.405 nan 8.290 nan 0.000 0.543 286 G N 0.682 109.438 108.800 -0.073 0.000 3.286 286 G HA2 0.389 4.350 3.960 0.001 0.000 0.303 286 G HA3 0.389 4.350 3.960 0.001 0.000 0.303 286 G C 0.035 174.942 174.900 0.011 0.000 0.974 286 G CA -0.009 45.036 45.100 -0.092 0.000 1.635 286 G HN 0.255 nan 8.290 nan 0.000 0.535 287 S N 1.221 116.991 115.700 0.117 0.000 2.549 287 S HA -0.002 4.469 4.470 0.001 0.000 0.286 287 S C 1.041 175.840 174.600 0.333 0.000 1.314 287 S CA -0.577 57.737 58.200 0.190 0.000 1.062 287 S CB 0.294 63.582 63.200 0.146 0.000 0.865 287 S HN 0.585 nan 8.310 nan 0.000 0.498 288 W N 5.378 126.817 121.300 0.232 0.000 2.595 288 W HA -0.023 4.638 4.660 0.001 0.000 0.257 288 W C 0.984 177.546 176.519 0.072 0.000 1.267 288 W CA 0.401 57.848 57.345 0.171 0.000 1.300 288 W CB -0.157 29.370 29.460 0.111 0.000 1.120 288 W HN 0.686 nan 8.180 nan 0.000 0.618 289 I N -0.149 120.610 120.570 0.314 0.000 2.494 289 I HA -0.034 4.136 4.170 0.001 0.000 0.250 289 I C 0.342 176.543 176.117 0.140 0.000 1.112 289 I CA 0.929 62.347 61.300 0.196 0.000 1.438 289 I CB -1.033 37.054 38.000 0.144 0.000 1.111 289 I HN -0.288 nan 8.210 nan 0.000 0.431 290 R N 0.354 120.941 120.500 0.146 0.000 2.547 290 R HA 0.536 4.877 4.340 0.001 0.000 0.280 290 R C 0.379 176.757 176.300 0.130 0.000 1.630 290 R CA 0.044 56.215 56.100 0.118 0.000 1.470 290 R CB 0.837 31.220 30.300 0.138 0.000 1.178 290 R HN 0.228 nan 8.270 nan 0.000 0.591 291 G N -0.736 108.138 108.800 0.124 0.000 3.193 291 G HA2 0.088 4.048 3.960 0.001 0.000 0.183 291 G HA3 0.088 4.048 3.960 0.001 0.000 0.183 291 G C 0.697 175.714 174.900 0.196 0.000 1.254 291 G CA 0.308 45.508 45.100 0.167 0.000 0.898 291 G HN 0.417 nan 8.290 nan 0.000 0.816 292 A N 0.756 123.656 122.820 0.133 0.000 2.252 292 A HA 0.353 4.674 4.320 0.001 0.000 0.207 292 A C 1.832 179.587 177.584 0.285 0.000 1.194 292 A CA 0.425 52.601 52.037 0.231 0.000 0.809 292 A CB -0.417 18.640 19.000 0.096 0.000 0.814 292 A HN 0.488 nan 8.150 nan 0.000 0.482 293 I N -1.466 119.210 120.570 0.176 0.000 2.850 293 I HA -0.217 3.953 4.170 0.001 0.000 0.266 293 I C 1.962 178.251 176.117 0.286 0.000 1.257 293 I CA 1.196 62.596 61.300 0.168 0.000 1.465 293 I CB -0.120 37.956 38.000 0.126 0.000 1.091 293 I HN 0.580 nan 8.210 nan 0.000 0.467 294 Y N 0.604 121.027 120.300 0.206 0.000 2.263 294 Y HA -0.225 4.325 4.550 0.001 0.000 0.292 294 Y C 1.677 177.622 175.900 0.074 0.000 1.130 294 Y CA 1.613 59.779 58.100 0.111 0.000 1.179 294 Y CB -0.533 37.957 38.460 0.051 0.000 0.998 294 Y HN 0.200 nan 8.280 nan 0.000 0.532 295 Y N -1.751 118.606 120.300 0.096 0.000 2.269 295 Y HA -0.071 4.480 4.550 0.001 0.000 0.294 295 Y C 1.852 177.773 175.900 0.035 0.000 1.120 295 Y CA 1.192 59.288 58.100 -0.006 0.000 1.159 295 Y CB -0.836 37.702 38.460 0.130 0.000 1.024 295 Y HN -0.008 nan 8.280 nan 0.000 0.532 296 F N 0.666 120.682 119.950 0.110 0.000 2.722 296 F HA -0.046 4.482 4.527 0.001 0.000 0.298 296 F C 2.102 177.907 175.800 0.008 0.000 1.175 296 F CA 0.753 58.779 58.000 0.043 0.000 1.462 296 F CB -0.361 38.659 39.000 0.033 0.000 1.111 296 F HN 0.036 nan 8.300 nan 0.000 0.592 297 K N 0.526 121.006 120.400 0.134 0.000 2.190 297 K HA 0.047 4.367 4.320 0.001 0.000 0.202 297 K C 1.943 178.529 176.600 -0.024 0.000 1.045 297 K CA 0.758 57.076 56.287 0.053 0.000 0.976 297 K CB -0.018 32.513 32.500 0.051 0.000 0.849 297 K HN 0.210 nan 8.250 nan 0.000 0.468 298 I N 1.554 122.052 120.570 -0.120 0.000 2.500 298 I HA -0.109 4.061 4.170 0.001 0.000 0.252 298 I C 2.473 178.547 176.117 -0.072 0.000 1.142 298 I CA 0.791 62.013 61.300 -0.130 0.000 1.451 298 I CB -0.249 37.592 38.000 -0.265 0.000 1.093 298 I HN 0.204 nan 8.210 nan 0.000 0.430 299 A N 0.759 123.534 122.820 -0.076 0.000 1.940 299 A HA -0.151 4.170 4.320 0.001 0.000 0.219 299 A C 2.427 179.976 177.584 -0.058 0.000 1.176 299 A CA 1.811 53.797 52.037 -0.085 0.000 0.631 299 A CB -0.829 18.067 19.000 -0.175 0.000 0.814 299 A HN 0.251 nan 8.150 nan 0.000 0.446 300 V N -0.449 119.446 119.914 -0.032 0.000 2.283 300 V HA -0.156 3.965 4.120 0.001 0.000 0.243 300 V C 3.042 179.137 176.094 0.002 0.000 1.039 300 V CA 1.737 64.034 62.300 -0.005 0.000 1.016 300 V CB -1.265 30.571 31.823 0.023 0.000 0.650 300 V HN 0.590 nan 8.190 nan 0.000 0.449 301 A N -0.377 122.444 122.820 0.002 0.000 1.978 301 A HA -0.172 4.149 4.320 0.001 0.000 0.220 301 A C 2.241 179.831 177.584 0.010 0.000 1.170 301 A CA 1.770 53.814 52.037 0.011 0.000 0.636 301 A CB -0.539 18.467 19.000 0.010 0.000 0.810 301 A HN 0.500 nan 8.150 nan 0.000 0.448 302 L N -1.114 120.107 121.223 -0.002 0.000 2.027 302 L HA -0.168 4.173 4.340 0.001 0.000 0.206 302 L C 3.151 180.014 176.870 -0.011 0.000 1.074 302 L CA 1.040 55.879 54.840 -0.002 0.000 0.745 302 L CB -0.550 41.504 42.059 -0.009 0.000 0.898 302 L HN 0.447 nan 8.230 nan 0.000 0.433 303 A N -0.275 122.535 122.820 -0.017 0.000 1.858 303 A HA -0.178 4.142 4.320 0.001 0.000 0.216 303 A C 2.233 179.818 177.584 0.002 0.000 1.190 303 A CA 1.938 53.965 52.037 -0.017 0.000 0.617 303 A CB -0.979 18.010 19.000 -0.018 0.000 0.827 303 A HN 0.205 nan 8.150 nan 0.000 0.443 304 V N -0.187 119.736 119.914 0.015 0.000 2.568 304 V HA -0.237 3.884 4.120 0.001 0.000 0.253 304 V C 2.866 178.977 176.094 0.028 0.000 1.072 304 V CA 1.878 64.196 62.300 0.029 0.000 1.084 304 V CB -1.184 30.663 31.823 0.041 0.000 0.676 304 V HN 0.634 nan 8.190 nan 0.000 0.469 305 A N -0.367 122.464 122.820 0.019 0.000 1.935 305 A HA 0.189 4.509 4.320 0.001 0.000 0.214 305 A C 2.352 179.941 177.584 0.007 0.000 1.178 305 A CA 1.443 53.490 52.037 0.015 0.000 0.640 305 A CB -0.431 18.579 19.000 0.016 0.000 0.825 305 A HN 0.514 nan 8.150 nan 0.000 0.447 306 A N -0.275 122.545 122.820 0.000 0.000 1.898 306 A HA 0.247 4.567 4.320 0.001 0.000 0.214 306 A C 0.872 178.478 177.584 0.036 0.000 1.183 306 A CA 0.417 52.451 52.037 -0.004 0.000 0.622 306 A CB -0.260 18.712 19.000 -0.048 0.000 0.824 306 A HN 0.327 nan 8.150 nan 0.000 0.444 307 I N 1.618 122.209 120.570 0.034 0.000 2.517 307 I HA 0.139 4.309 4.170 0.001 0.000 0.285 307 I C -2.299 173.862 176.117 0.074 0.000 1.106 307 I CA -2.377 58.966 61.300 0.072 0.000 1.402 307 I CB 0.245 38.274 38.000 0.048 0.000 1.399 307 I HN 0.121 nan 8.210 nan 0.000 0.535 308 P HA 0.185 nan 4.420 nan 0.000 0.231 308 P C 0.315 177.634 177.300 0.032 0.000 1.811 308 P CA -0.292 62.833 63.100 0.043 0.000 1.051 308 P CB 0.400 32.116 31.700 0.026 0.000 1.951 309 E N 1.650 121.868 120.200 0.031 0.000 2.197 309 E HA -0.202 4.149 4.350 0.001 0.000 0.205 309 E C 2.165 178.769 176.600 0.006 0.000 1.029 309 E CA 2.270 58.686 56.400 0.027 0.000 0.828 309 E CB -0.827 28.893 29.700 0.033 0.000 0.737 309 E HN 0.506 nan 8.360 nan 0.000 0.464 310 G N -0.468 108.323 108.800 -0.016 0.000 2.939 310 G HA2 -0.052 3.908 3.960 0.001 0.000 0.210 310 G HA3 -0.052 3.908 3.960 0.001 0.000 0.210 310 G C 1.288 176.155 174.900 -0.055 0.000 1.160 310 G CA -0.003 45.071 45.100 -0.044 0.000 0.770 310 G HN 0.145 nan 8.290 nan 0.000 0.543 311 L N 2.292 123.497 121.223 -0.029 0.000 1.990 311 L HA -0.006 4.335 4.340 0.001 0.000 0.213 311 L C 0.212 177.070 176.870 -0.019 0.000 1.072 311 L CA 2.168 56.998 54.840 -0.018 0.000 0.755 311 L CB -0.950 41.115 42.059 0.009 0.000 0.889 311 L HN 0.089 nan 8.230 nan 0.000 0.432 312 P HA -0.152 nan 4.420 nan 0.000 0.223 312 P C 1.091 178.370 177.300 -0.036 0.000 1.144 312 P CA 1.871 64.966 63.100 -0.008 0.000 0.783 312 P CB -0.107 31.593 31.700 -0.000 0.000 0.771 313 A N -0.230 122.553 122.820 -0.062 0.000 1.943 313 A HA 0.019 4.339 4.320 0.001 0.000 0.213 313 A C 2.334 179.837 177.584 -0.134 0.000 1.181 313 A CA 0.847 52.833 52.037 -0.085 0.000 0.653 313 A CB -1.310 17.641 19.000 -0.081 0.000 0.833 313 A HN 0.113 nan 8.150 nan 0.000 0.451 314 V N 0.159 119.952 119.914 -0.202 0.000 2.548 314 V HA -0.136 3.984 4.120 0.001 0.000 0.249 314 V C 2.134 178.002 176.094 -0.377 0.000 1.055 314 V CA 1.672 63.745 62.300 -0.378 0.000 1.065 314 V CB -0.394 31.061 31.823 -0.612 0.000 0.681 314 V HN 0.550 nan 8.190 nan 0.000 0.462 315 I N -0.075 120.400 120.570 -0.159 0.000 2.163 315 I HA -0.209 3.961 4.170 0.001 0.000 0.240 315 I C 2.504 178.619 176.117 -0.003 0.000 1.081 315 I CA 2.114 63.443 61.300 0.049 0.000 1.353 315 I CB -0.723 37.343 38.000 0.110 0.000 1.054 315 I HN 0.288 nan 8.210 nan 0.000 0.407 316 T N -0.063 114.469 114.554 -0.035 0.000 2.788 316 T HA -0.166 4.184 4.350 0.001 0.000 0.268 316 T C 1.860 176.523 174.700 -0.063 0.000 1.044 316 T CA 1.952 64.029 62.100 -0.038 0.000 1.139 316 T CB -0.353 68.491 68.868 -0.040 0.000 0.867 316 T HN 0.357 nan 8.240 nan 0.000 0.454 317 T N 0.783 115.278 114.554 -0.099 0.000 2.821 317 T HA -0.121 4.230 4.350 0.001 0.000 0.267 317 T C 2.273 176.894 174.700 -0.131 0.000 1.046 317 T CA 1.114 63.147 62.100 -0.112 0.000 1.139 317 T CB -0.682 68.106 68.868 -0.134 0.000 0.871 317 T HN 0.526 nan 8.240 nan 0.000 0.454 318 C N 0.981 120.196 119.300 -0.141 0.000 2.446 318 C HA 0.048 4.508 4.460 0.001 0.000 0.277 318 C C 2.480 177.411 174.990 -0.099 0.000 1.275 318 C CA 0.321 59.256 59.018 -0.138 0.000 1.727 318 C CB -1.399 26.341 27.740 0.001 0.000 2.010 318 C HN 0.367 nan 8.230 nan 0.000 0.486 319 L N 1.732 122.929 121.223 -0.044 0.000 2.083 319 L HA 0.028 4.368 4.340 0.001 0.000 0.209 319 L C 2.872 179.714 176.870 -0.047 0.000 1.083 319 L CA 2.203 57.024 54.840 -0.031 0.000 0.752 319 L CB -1.217 40.840 42.059 -0.004 0.000 0.899 319 L HN 0.426 nan 8.230 nan 0.000 0.433 320 A N -0.834 121.955 122.820 -0.053 0.000 1.902 320 A HA -0.159 4.162 4.320 0.001 0.000 0.217 320 A C 2.311 179.858 177.584 -0.061 0.000 1.181 320 A CA 1.533 53.542 52.037 -0.047 0.000 0.623 320 A CB -0.716 18.256 19.000 -0.046 0.000 0.818 320 A HN 0.379 nan 8.150 nan 0.000 0.443 321 L N -0.849 120.315 121.223 -0.099 0.000 2.093 321 L HA -0.111 4.229 4.340 0.001 0.000 0.208 321 L C 2.824 179.624 176.870 -0.117 0.000 1.085 321 L CA 1.064 55.829 54.840 -0.124 0.000 0.755 321 L CB -0.784 41.129 42.059 -0.243 0.000 0.904 321 L HN 0.500 nan 8.230 nan 0.000 0.435 322 G N -0.895 107.833 108.800 -0.120 0.000 2.402 322 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 322 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 322 G C 1.574 176.442 174.900 -0.054 0.000 1.162 322 G CA 1.168 46.213 45.100 -0.091 0.000 0.777 322 G HN 0.248 nan 8.290 nan 0.000 0.539 323 T N 0.525 115.053 114.554 -0.043 0.000 2.720 323 T HA -0.108 4.243 4.350 0.001 0.000 0.268 323 T C 2.470 177.158 174.700 -0.020 0.000 1.037 323 T CA 1.163 63.247 62.100 -0.026 0.000 1.144 323 T CB -0.145 68.712 68.868 -0.017 0.000 0.864 323 T HN 0.235 nan 8.240 nan 0.000 0.444 324 R N 0.318 120.805 120.500 -0.021 0.000 2.115 324 R HA 0.081 4.421 4.340 0.001 0.000 0.230 324 R C 2.721 179.016 176.300 -0.009 0.000 1.111 324 R CA 0.836 56.930 56.100 -0.010 0.000 0.976 324 R CB -0.148 30.148 30.300 -0.006 0.000 0.870 324 R HN 0.283 nan 8.270 nan 0.000 0.445 325 R N 0.222 120.710 120.500 -0.019 0.000 2.075 325 R HA -0.041 4.300 4.340 0.001 0.000 0.232 325 R C 2.202 178.496 176.300 -0.011 0.000 1.126 325 R CA 1.489 57.581 56.100 -0.013 0.000 0.963 325 R CB -0.028 30.256 30.300 -0.028 0.000 0.858 325 R HN 0.159 nan 8.270 nan 0.000 0.435 326 M N -0.786 118.803 119.600 -0.018 0.000 2.200 326 M HA -0.054 4.427 4.480 0.001 0.000 0.265 326 M C 2.299 178.592 176.300 -0.013 0.000 1.066 326 M CA 1.393 56.682 55.300 -0.018 0.000 1.127 326 M CB -0.001 32.584 32.600 -0.024 0.000 1.379 326 M HN 0.211 nan 8.290 nan 0.000 0.420 327 A N 0.331 123.145 122.820 -0.009 0.000 1.972 327 A HA -0.207 4.113 4.320 0.001 0.000 0.219 327 A C 2.112 179.695 177.584 -0.000 0.000 1.169 327 A CA 1.762 53.796 52.037 -0.004 0.000 0.635 327 A CB -0.663 18.336 19.000 -0.001 0.000 0.810 327 A HN 0.467 nan 8.150 nan 0.000 0.446 328 K N -0.011 120.390 120.400 0.002 0.000 2.211 328 K HA -0.077 4.243 4.320 0.001 0.000 0.203 328 K C 0.934 177.536 176.600 0.005 0.000 1.050 328 K CA 1.237 57.528 56.287 0.007 0.000 0.945 328 K CB -0.084 32.422 32.500 0.011 0.000 0.732 328 K HN 0.396 nan 8.250 nan 0.000 0.451 329 K N 0.853 121.253 120.400 -0.001 0.000 2.500 329 K HA 0.104 4.424 4.320 0.001 0.000 0.206 329 K C -0.433 176.163 176.600 -0.007 0.000 1.034 329 K CA -0.071 56.214 56.287 -0.003 0.000 1.179 329 K CB 0.316 32.811 32.500 -0.008 0.000 0.884 329 K HN 0.193 nan 8.250 nan 0.000 0.493 330 N N 0.268 118.965 118.700 -0.004 0.000 2.747 330 N HA -0.172 4.568 4.740 0.001 0.000 0.249 330 N C -0.789 174.713 175.510 -0.014 0.000 1.107 330 N CA 1.003 54.050 53.050 -0.006 0.000 0.707 330 N CB -1.210 37.275 38.487 -0.002 0.000 1.054 330 N HN 0.321 nan 8.380 nan 0.000 0.555 331 A N 0.785 123.595 122.820 -0.017 0.000 2.399 331 A HA 0.613 4.933 4.320 0.001 0.000 0.327 331 A C 0.456 178.028 177.584 -0.020 0.000 1.367 331 A CA -0.511 51.511 52.037 -0.026 0.000 0.842 331 A CB 0.429 19.408 19.000 -0.034 0.000 1.142 331 A HN 0.268 nan 8.150 nan 0.000 0.495 332 I N 3.033 123.593 120.570 -0.017 0.000 2.379 332 I HA 0.173 4.343 4.170 0.001 0.000 0.290 332 I C -0.334 175.774 176.117 -0.015 0.000 1.063 332 I CA -0.296 60.997 61.300 -0.012 0.000 1.351 332 I CB 1.285 39.279 38.000 -0.008 0.000 1.410 332 I HN 0.250 nan 8.210 nan 0.000 0.505 333 V N 7.952 127.858 119.914 -0.013 0.000 2.407 333 V HA 0.284 4.405 4.120 0.001 0.000 0.278 333 V C 1.035 177.125 176.094 -0.007 0.000 1.037 333 V CA -0.403 61.889 62.300 -0.014 0.000 0.900 333 V CB 1.366 33.181 31.823 -0.014 0.000 0.983 333 V HN 0.739 nan 8.190 nan 0.000 0.459 334 R N 1.925 122.420 120.500 -0.009 0.000 2.265 334 R HA 0.195 4.535 4.340 0.001 0.000 0.194 334 R C 0.659 176.956 176.300 -0.004 0.000 0.931 334 R CA 0.175 56.271 56.100 -0.006 0.000 1.032 334 R CB 0.557 30.849 30.300 -0.012 0.000 0.980 334 R HN 0.544 nan 8.270 nan 0.000 0.497 335 S N 0.921 116.617 115.700 -0.006 0.000 2.640 335 S HA 0.227 4.698 4.470 0.001 0.000 0.320 335 S C 0.966 175.565 174.600 -0.002 0.000 1.097 335 S CA -0.608 57.590 58.200 -0.004 0.000 1.092 335 S CB 0.770 63.964 63.200 -0.010 0.000 0.988 335 S HN 0.049 nan 8.310 nan 0.000 0.470 336 L N 5.720 126.946 121.223 0.006 0.000 2.012 336 L HA 0.032 4.372 4.340 0.001 0.000 0.210 336 L C -0.646 176.227 176.870 0.005 0.000 1.073 336 L CA 1.888 56.731 54.840 0.005 0.000 0.748 336 L CB -2.072 39.994 42.059 0.011 0.000 0.891 336 L HN 0.569 nan 8.230 nan 0.000 0.431 337 P HA 0.010 nan 4.420 nan 0.000 0.252 337 P C 1.113 178.413 177.300 -0.000 0.000 1.265 337 P CA 0.566 63.672 63.100 0.009 0.000 0.775 337 P CB 0.238 31.944 31.700 0.010 0.000 1.128 338 S N -0.237 115.459 115.700 -0.007 0.000 2.456 338 S HA -0.040 4.431 4.470 0.001 0.000 0.224 338 S C 2.001 176.588 174.600 -0.022 0.000 1.035 338 S CA 0.752 58.941 58.200 -0.018 0.000 0.940 338 S CB -0.873 62.314 63.200 -0.021 0.000 0.799 338 S HN 0.149 nan 8.310 nan 0.000 0.508 339 V N 2.746 122.651 119.914 -0.016 0.000 2.324 339 V HA -0.299 3.821 4.120 0.001 0.000 0.250 339 V C 2.204 178.290 176.094 -0.013 0.000 1.060 339 V CA 2.223 64.513 62.300 -0.017 0.000 1.042 339 V CB -1.321 30.495 31.823 -0.012 0.000 0.650 339 V HN 0.692 nan 8.190 nan 0.000 0.450 340 E N 0.976 121.178 120.200 0.003 0.000 2.028 340 E HA -0.190 4.161 4.350 0.001 0.000 0.191 340 E C 2.155 178.713 176.600 -0.070 0.000 0.988 340 E CA 1.841 58.248 56.400 0.011 0.000 0.799 340 E CB -1.183 28.559 29.700 0.071 0.000 0.755 340 E HN 0.564 nan 8.360 nan 0.000 0.447 341 T N 1.998 116.514 114.554 -0.063 0.000 2.759 341 T HA -0.138 4.212 4.350 0.001 0.000 0.269 341 T C 1.876 176.527 174.700 -0.083 0.000 1.042 341 T CA 1.097 63.147 62.100 -0.084 0.000 1.140 341 T CB -0.316 68.519 68.868 -0.055 0.000 0.864 341 T HN 0.124 nan 8.240 nan 0.000 0.455 342 L N 0.741 121.926 121.223 -0.064 0.000 2.127 342 L HA -0.087 4.253 4.340 0.001 0.000 0.211 342 L C 2.671 179.500 176.870 -0.069 0.000 1.089 342 L CA 1.416 56.219 54.840 -0.063 0.000 0.757 342 L CB -0.732 41.293 42.059 -0.057 0.000 0.899 342 L HN 0.418 nan 8.230 nan 0.000 0.434 343 G N -1.838 106.915 108.800 -0.078 0.000 2.534 343 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 343 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 343 G C 1.258 176.092 174.900 -0.109 0.000 1.128 343 G CA 0.638 45.690 45.100 -0.081 0.000 0.784 343 G HN 0.504 nan 8.290 nan 0.000 0.542 344 C N 0.893 120.112 119.300 -0.135 0.000 2.791 344 C HA 0.235 4.695 4.460 0.001 0.000 0.270 344 C C 1.281 176.222 174.990 -0.082 0.000 1.257 344 C CA -0.798 58.138 59.018 -0.136 0.000 1.699 344 C CB -0.983 26.651 27.740 -0.176 0.000 1.904 344 C HN 0.224 nan 8.230 nan 0.000 0.603 345 T N 2.178 116.692 114.554 -0.067 0.000 2.871 345 T HA 0.103 4.453 4.350 0.001 0.000 0.296 345 T C 1.207 175.887 174.700 -0.033 0.000 0.998 345 T CA 0.834 62.907 62.100 -0.045 0.000 1.162 345 T CB 0.604 69.446 68.868 -0.044 0.000 0.947 345 T HN 0.691 nan 8.240 nan 0.000 0.536 346 S N 1.679 117.366 115.700 -0.021 0.000 2.524 346 S HA 0.280 4.751 4.470 0.001 0.000 0.222 346 S C 0.314 174.913 174.600 -0.003 0.000 1.040 346 S CA -0.396 57.797 58.200 -0.012 0.000 0.915 346 S CB 0.446 63.641 63.200 -0.008 0.000 0.831 346 S HN 0.416 nan 8.310 nan 0.000 0.492 347 V N 2.385 122.299 119.914 0.000 0.000 2.569 347 V HA 0.517 4.637 4.120 0.001 0.000 0.301 347 V C -1.022 175.078 176.094 0.009 0.000 1.044 347 V CA -0.710 61.596 62.300 0.010 0.000 0.874 347 V CB 1.665 33.500 31.823 0.020 0.000 1.002 347 V HN 0.382 nan 8.190 nan 0.000 0.424 348 I N 3.827 124.407 120.570 0.018 0.000 2.330 348 I HA 0.351 4.522 4.170 0.001 0.000 0.286 348 I C -0.073 176.068 176.117 0.041 0.000 1.025 348 I CA -0.143 61.170 61.300 0.022 0.000 1.197 348 I CB 1.206 39.224 38.000 0.030 0.000 1.358 348 I HN 0.551 nan 8.210 nan 0.000 0.467 349 C N 4.158 123.475 119.300 0.028 0.000 2.536 349 C HA 0.529 4.990 4.460 0.001 0.000 0.396 349 C C 0.735 175.754 174.990 0.048 0.000 1.279 349 C CA -0.070 58.967 59.018 0.031 0.000 2.148 349 C CB 0.789 28.530 27.740 0.002 0.000 2.584 349 C HN 0.784 nan 8.230 nan 0.000 0.579 350 S N 1.089 116.823 115.700 0.056 0.000 2.546 350 S HA 0.355 4.825 4.470 0.001 0.000 0.272 350 S C -1.075 173.550 174.600 0.043 0.000 1.140 350 S CA -0.529 57.717 58.200 0.077 0.000 0.920 350 S CB 1.150 64.441 63.200 0.152 0.000 1.083 350 S HN 0.864 nan 8.310 nan 0.000 0.476 351 D N 2.450 122.875 120.400 0.041 0.000 2.368 351 D HA 0.267 4.908 4.640 0.001 0.000 0.240 351 D C 0.885 177.190 176.300 0.009 0.000 1.169 351 D CA 0.173 54.185 54.000 0.020 0.000 0.906 351 D CB 0.872 41.684 40.800 0.019 0.000 1.187 351 D HN 0.560 nan 8.370 nan 0.000 0.435 352 K N 0.207 120.602 120.400 -0.008 0.000 2.253 352 K HA 0.095 4.415 4.320 0.001 0.000 0.225 352 K C 0.036 176.620 176.600 -0.027 0.000 1.037 352 K CA -0.036 56.232 56.287 -0.032 0.000 0.928 352 K CB -0.258 32.221 32.500 -0.036 0.000 1.057 352 K HN 0.447 nan 8.250 nan 0.000 0.462 353 T N 1.089 115.631 114.554 -0.019 0.000 2.778 353 T HA 0.181 4.531 4.350 0.001 0.000 0.282 353 T C 0.730 175.428 174.700 -0.005 0.000 0.983 353 T CA 0.939 63.031 62.100 -0.014 0.000 1.193 353 T CB 0.285 69.149 68.868 -0.007 0.000 0.938 353 T HN 0.729 nan 8.240 nan 0.000 0.523 354 G N 3.345 112.141 108.800 -0.008 0.000 2.225 354 G HA2 -0.317 3.643 3.960 0.001 0.000 0.254 354 G HA3 -0.317 3.643 3.960 0.001 0.000 0.254 354 G C 0.899 175.810 174.900 0.018 0.000 0.988 354 G CA 0.598 45.701 45.100 0.005 0.000 0.625 354 G HN 0.695 nan 8.290 nan 0.000 0.527 355 T N -0.014 114.552 114.554 0.020 0.000 3.391 355 T HA 0.315 4.665 4.350 0.001 0.000 0.233 355 T C 2.009 176.728 174.700 0.031 0.000 0.960 355 T CA 1.029 63.166 62.100 0.063 0.000 1.342 355 T CB -0.193 68.723 68.868 0.080 0.000 1.124 355 T HN 0.055 nan 8.240 nan 0.000 0.396 356 L N 1.958 123.149 121.223 -0.054 0.000 2.156 356 L HA 0.179 4.519 4.340 0.001 0.000 0.208 356 L C 1.570 178.353 176.870 -0.145 0.000 1.095 356 L CA 1.274 55.995 54.840 -0.198 0.000 0.770 356 L CB -1.021 40.912 42.059 -0.211 0.000 0.914 356 L HN 0.505 nan 8.230 nan 0.000 0.439 357 T N -5.792 108.711 114.554 -0.085 0.000 2.922 357 T HA 0.320 4.671 4.350 0.001 0.000 0.281 357 T C 1.157 175.824 174.700 -0.054 0.000 1.005 357 T CA 0.128 62.183 62.100 -0.074 0.000 0.982 357 T CB 1.193 70.021 68.868 -0.067 0.000 1.158 357 T HN 0.157 nan 8.240 nan 0.000 0.566 358 T N -1.943 112.572 114.554 -0.066 0.000 3.081 358 T HA 0.109 4.460 4.350 0.001 0.000 0.255 358 T C 0.994 175.653 174.700 -0.068 0.000 1.113 358 T CA 0.637 62.696 62.100 -0.068 0.000 1.082 358 T CB -0.892 67.915 68.868 -0.101 0.000 0.939 358 T HN 0.954 nan 8.240 nan 0.000 0.506 359 N N 0.947 119.610 118.700 -0.062 0.000 2.740 359 N HA -0.194 4.547 4.740 0.001 0.000 0.248 359 N C -1.084 174.386 175.510 -0.067 0.000 1.062 359 N CA 0.265 53.294 53.050 -0.035 0.000 0.704 359 N CB -0.848 37.640 38.487 0.002 0.000 0.968 359 N HN 0.697 nan 8.380 nan 0.000 0.547 360 Q N 0.971 120.658 119.800 -0.188 0.000 2.414 360 Q HA 0.274 4.615 4.340 0.001 0.000 0.256 360 Q C -0.378 175.396 176.000 -0.378 0.000 0.974 360 Q CA -0.689 54.809 55.803 -0.508 0.000 0.723 360 Q CB 1.196 29.457 28.738 -0.796 0.000 1.281 360 Q HN 0.242 nan 8.270 nan 0.000 0.470 361 M N 1.744 121.281 119.600 -0.105 0.000 2.290 361 M HA 0.061 4.542 4.480 0.001 0.000 0.356 361 M C -0.373 175.914 176.300 -0.021 0.000 1.448 361 M CA 1.077 56.382 55.300 0.008 0.000 0.993 361 M CB -0.009 32.671 32.600 0.134 0.000 1.934 361 M HN 0.422 nan 8.290 nan 0.000 0.461 362 S N 2.875 118.549 115.700 -0.043 0.000 2.557 362 S HA 0.524 4.994 4.470 0.001 0.000 0.291 362 S C -0.506 174.078 174.600 -0.028 0.000 1.116 362 S CA -0.884 57.290 58.200 -0.043 0.000 0.992 362 S CB 2.000 65.149 63.200 -0.085 0.000 1.028 362 S HN 0.454 nan 8.310 nan 0.000 0.484 363 V N 2.858 122.762 119.914 -0.016 0.000 2.470 363 V HA 0.095 4.215 4.120 0.001 0.000 0.276 363 V C 1.155 177.221 176.094 -0.047 0.000 1.040 363 V CA -0.259 62.028 62.300 -0.022 0.000 1.008 363 V CB 0.318 32.133 31.823 -0.013 0.000 0.990 363 V HN 1.225 nan 8.190 nan 0.000 0.477 364 C N 2.717 121.972 119.300 -0.075 0.000 3.228 364 C HA 0.503 4.963 4.460 0.001 0.000 0.290 364 C C 0.540 175.445 174.990 -0.141 0.000 1.301 364 C CA -0.644 58.313 59.018 -0.102 0.000 1.703 364 C CB -0.970 26.698 27.740 -0.120 0.000 2.141 364 C HN 0.752 nan 8.230 nan 0.000 0.656 365 K N 1.414 121.714 120.400 -0.167 0.000 2.527 365 K HA 0.721 5.041 4.320 0.001 0.000 0.260 365 K C -1.016 175.619 176.600 0.059 0.000 0.937 365 K CA -0.288 55.858 56.287 -0.235 0.000 0.826 365 K CB 2.321 34.282 32.500 -0.898 0.000 1.359 365 K HN 0.551 nan 8.250 nan 0.000 0.434 366 M N 0.605 120.403 119.600 0.329 0.000 2.682 366 M HA 0.683 5.163 4.480 0.001 0.000 0.272 366 M C -1.749 174.941 176.300 0.650 0.000 1.232 366 M CA -0.963 54.598 55.300 0.435 0.000 0.849 366 M CB 2.123 34.815 32.600 0.153 0.000 1.695 366 M HN 0.628 nan 8.290 nan 0.000 0.481 367 F N 0.937 121.095 119.950 0.346 0.000 2.693 367 F HA 0.902 5.430 4.527 0.001 0.000 0.309 367 F C -1.813 174.086 175.800 0.165 0.000 1.129 367 F CA -1.063 57.094 58.000 0.261 0.000 0.948 367 F CB 1.362 40.436 39.000 0.124 0.000 1.315 367 F HN 0.862 nan 8.300 nan 0.000 0.447 368 I N 0.056 120.957 120.570 0.551 0.000 3.264 368 I HA 0.603 4.773 4.170 0.001 0.000 0.315 368 I C -1.089 175.276 176.117 0.413 0.000 1.154 368 I CA -1.441 60.086 61.300 0.378 0.000 0.962 368 I CB 2.033 40.155 38.000 0.204 0.000 1.265 368 I HN 0.499 nan 8.210 nan 0.000 0.463 369 I N 2.276 123.040 120.570 0.324 0.000 2.634 369 I HA 0.092 4.262 4.170 0.001 0.000 0.284 369 I C 0.526 176.730 176.117 0.146 0.000 1.124 369 I CA 0.573 61.998 61.300 0.208 0.000 1.417 369 I CB 0.575 38.691 38.000 0.194 0.000 1.396 369 I HN 0.814 nan 8.210 nan 0.000 0.571 370 D N 4.768 125.211 120.400 0.072 0.000 2.735 370 D HA 0.126 4.767 4.640 0.001 0.000 0.267 370 D C 0.005 176.353 176.300 0.079 0.000 1.081 370 D CA 1.175 55.226 54.000 0.086 0.000 0.980 370 D CB 0.725 41.552 40.800 0.045 0.000 1.129 370 D HN 0.510 nan 8.370 nan 0.000 0.459 371 K N -0.513 119.900 120.400 0.022 0.000 2.508 371 K HA 0.637 4.957 4.320 0.001 0.000 0.260 371 K C -1.544 175.042 176.600 -0.024 0.000 0.949 371 K CA -0.921 55.399 56.287 0.055 0.000 0.834 371 K CB 3.542 36.146 32.500 0.174 0.000 1.365 371 K HN -0.214 nan 8.250 nan 0.000 0.437 372 V N 1.339 121.280 119.914 0.045 0.000 2.577 372 V HA 0.357 4.477 4.120 0.001 0.000 0.303 372 V C -1.362 174.793 176.094 0.102 0.000 1.042 372 V CA -0.603 61.713 62.300 0.026 0.000 0.872 372 V CB 1.790 33.628 31.823 0.026 0.000 0.998 372 V HN 0.803 nan 8.190 nan 0.000 0.423 373 D N 3.347 123.834 120.400 0.144 0.000 2.411 373 D HA 0.481 5.122 4.640 0.001 0.000 0.239 373 D C 0.659 177.041 176.300 0.138 0.000 1.307 373 D CA 0.909 55.006 54.000 0.162 0.000 0.930 373 D CB 1.446 42.386 40.800 0.232 0.000 1.395 373 D HN 0.823 nan 8.370 nan 0.000 0.536 374 G N 4.254 113.102 108.800 0.080 0.000 2.634 374 G HA2 -0.393 3.567 3.960 0.001 0.000 0.318 374 G HA3 -0.393 3.567 3.960 0.001 0.000 0.318 374 G C 0.856 175.790 174.900 0.057 0.000 1.207 374 G CA 0.706 45.841 45.100 0.059 0.000 0.987 374 G HN 0.493 nan 8.290 nan 0.000 0.547 375 D N 0.361 120.804 120.400 0.072 0.000 2.317 375 D HA 0.187 4.828 4.640 0.001 0.000 0.211 375 D C 0.931 177.292 176.300 0.103 0.000 0.966 375 D CA 0.467 54.504 54.000 0.062 0.000 0.876 375 D CB -0.007 40.826 40.800 0.056 0.000 0.927 375 D HN 0.189 nan 8.370 nan 0.000 0.519 376 F N 1.230 121.168 119.950 -0.019 0.000 2.410 376 F HA 0.323 4.850 4.527 0.001 0.000 0.348 376 F C -0.507 175.280 175.800 -0.023 0.000 1.106 376 F CA -1.265 56.722 58.000 -0.023 0.000 1.163 376 F CB 0.885 39.875 39.000 -0.016 0.000 1.129 376 F HN -0.174 nan 8.300 nan 0.000 0.516 377 C N 7.093 125.897 119.300 -0.827 0.000 2.620 377 C HA 0.705 5.165 4.460 0.001 0.000 0.356 377 C C -0.765 173.717 174.990 -0.846 0.000 1.082 377 C CA -0.156 58.453 59.018 -0.682 0.000 1.293 377 C CB -0.393 27.149 27.740 -0.330 0.000 1.836 377 C HN 1.012 nan 8.230 nan 0.000 0.453 378 S N 6.085 121.302 115.700 -0.804 0.000 2.638 378 S HA 0.906 5.377 4.470 0.001 0.000 0.298 378 S C -0.869 173.575 174.600 -0.260 0.000 1.111 378 S CA -0.666 57.238 58.200 -0.493 0.000 1.027 378 S CB 1.273 64.298 63.200 -0.292 0.000 1.064 378 S HN 0.809 nan 8.310 nan 0.000 0.525 379 L N 1.279 122.368 121.223 -0.223 0.000 2.323 379 L HA 0.577 4.917 4.340 0.001 0.000 0.265 379 L C -0.566 176.231 176.870 -0.121 0.000 1.012 379 L CA -1.083 53.650 54.840 -0.179 0.000 0.820 379 L CB 1.596 43.406 42.059 -0.415 0.000 1.334 379 L HN 0.589 nan 8.230 nan 0.000 0.427 380 N N 1.608 120.280 118.700 -0.047 0.000 2.546 380 N HA 0.280 5.021 4.740 0.001 0.000 0.238 380 N C -1.092 174.247 175.510 -0.284 0.000 0.984 380 N CA -0.316 52.606 53.050 -0.213 0.000 0.935 380 N CB 1.143 39.558 38.487 -0.121 0.000 1.122 380 N HN 0.567 nan 8.380 nan 0.000 0.510 381 E N 1.580 121.550 120.200 -0.383 0.000 2.204 381 E HA 0.480 4.830 4.350 0.001 0.000 0.276 381 E C -0.696 175.612 176.600 -0.486 0.000 0.974 381 E CA -0.418 55.911 56.400 -0.118 0.000 0.815 381 E CB 1.359 31.128 29.700 0.115 0.000 1.119 381 E HN 0.290 nan 8.360 nan 0.000 0.393 382 F N 0.243 120.250 119.950 0.096 0.000 2.603 382 F HA 0.403 4.930 4.527 0.001 0.000 0.317 382 F C 0.259 176.053 175.800 -0.010 0.000 1.066 382 F CA -0.941 57.060 58.000 0.001 0.000 0.941 382 F CB 1.838 40.804 39.000 -0.057 0.000 1.291 382 F HN 0.360 nan 8.300 nan 0.000 0.472 383 S N 1.789 117.574 115.700 0.142 0.000 2.607 383 S HA 0.897 5.367 4.470 0.001 0.000 0.303 383 S C -1.281 173.337 174.600 0.032 0.000 1.086 383 S CA -0.701 57.513 58.200 0.024 0.000 0.995 383 S CB 1.901 65.085 63.200 -0.027 0.000 1.084 383 S HN 0.414 nan 8.310 nan 0.000 0.507 384 I N 2.015 122.575 120.570 -0.016 0.000 2.582 384 I HA 0.421 4.592 4.170 0.001 0.000 0.292 384 I C 0.298 176.395 176.117 -0.035 0.000 1.066 384 I CA -0.436 60.851 61.300 -0.021 0.000 1.053 384 I CB 1.649 39.629 38.000 -0.032 0.000 1.241 384 I HN 0.975 nan 8.210 nan 0.000 0.421 385 T N 0.659 115.196 114.554 -0.029 0.000 2.927 385 T HA 0.858 5.208 4.350 0.001 0.000 0.281 385 T C 0.241 174.919 174.700 -0.037 0.000 0.998 385 T CA -0.530 61.551 62.100 -0.032 0.000 1.019 385 T CB 1.962 70.817 68.868 -0.022 0.000 1.061 385 T HN 1.376 nan 8.240 nan 0.000 0.518 386 G N -0.096 108.680 108.800 -0.040 0.000 2.906 386 G HA2 0.135 4.096 3.960 0.001 0.000 0.686 386 G HA3 0.135 4.096 3.960 0.001 0.000 0.686 386 G C -0.086 174.777 174.900 -0.061 0.000 1.170 386 G CA -0.319 44.756 45.100 -0.043 0.000 0.775 386 G HN 0.873 nan 8.290 nan 0.000 0.630 387 S N -0.030 115.629 115.700 -0.068 0.000 2.650 387 S HA 0.493 4.963 4.470 0.001 0.000 0.240 387 S C 0.988 175.499 174.600 -0.148 0.000 1.007 387 S CA 0.825 58.966 58.200 -0.098 0.000 0.984 387 S CB 0.519 63.670 63.200 -0.082 0.000 0.910 387 S HN 1.663 nan 8.310 nan 0.000 0.509 388 T N -2.158 112.314 114.554 -0.137 0.000 2.858 388 T HA 0.530 4.880 4.350 0.001 0.000 0.285 388 T C 0.198 174.799 174.700 -0.164 0.000 1.052 388 T CA -0.589 61.392 62.100 -0.198 0.000 1.009 388 T CB 0.535 69.366 68.868 -0.061 0.000 1.241 388 T HN -0.062 nan 8.240 nan 0.000 0.542 389 Y N 0.682 120.999 120.300 0.027 0.000 2.571 389 Y HA 0.428 4.978 4.550 0.001 0.000 0.294 389 Y C 1.968 177.837 175.900 -0.052 0.000 1.141 389 Y CA -0.154 57.951 58.100 0.009 0.000 1.308 389 Y CB -1.086 37.405 38.460 0.051 0.000 1.002 389 Y HN 0.874 nan 8.280 nan 0.000 0.551 390 A N 2.572 125.448 122.820 0.094 0.000 2.540 390 A HA 0.087 4.407 4.320 0.001 0.000 0.239 390 A C -1.646 175.789 177.584 -0.248 0.000 1.061 390 A CA -0.891 51.057 52.037 -0.148 0.000 0.758 390 A CB -0.276 18.804 19.000 0.133 0.000 0.991 390 A HN 0.111 nan 8.150 nan 0.000 0.502 391 P HA 0.100 nan 4.420 nan 0.000 0.237 391 P C -0.692 176.516 177.300 -0.153 0.000 1.723 391 P CA 0.423 63.367 63.100 -0.259 0.000 0.882 391 P CB -0.367 31.152 31.700 -0.301 0.000 1.810 392 E N 0.443 120.582 120.200 -0.102 0.000 2.165 392 E HA 0.658 5.008 4.350 0.001 0.000 0.266 392 E C 0.335 176.913 176.600 -0.036 0.000 0.889 392 E CA -0.748 55.624 56.400 -0.046 0.000 0.756 392 E CB 1.783 31.478 29.700 -0.007 0.000 1.131 392 E HN 0.220 nan 8.360 nan 0.000 0.411 393 G N 2.444 111.225 108.800 -0.031 0.000 2.350 393 G HA2 0.140 4.100 3.960 0.001 0.000 0.304 393 G HA3 0.140 4.100 3.960 0.001 0.000 0.304 393 G C -1.496 173.389 174.900 -0.024 0.000 1.421 393 G CA -0.923 44.161 45.100 -0.027 0.000 0.934 393 G HN 0.417 nan 8.290 nan 0.000 0.632 394 E N -1.313 118.876 120.200 -0.017 0.000 2.359 394 E HA 0.656 5.006 4.350 0.001 0.000 0.266 394 E C -0.973 175.623 176.600 -0.007 0.000 0.920 394 E CA -1.106 55.288 56.400 -0.010 0.000 0.788 394 E CB 2.990 32.692 29.700 0.003 0.000 1.279 394 E HN 0.330 nan 8.360 nan 0.000 0.438 395 V N 2.515 122.429 119.914 -0.000 0.000 2.370 395 V HA 0.337 4.457 4.120 0.001 0.000 0.279 395 V C -0.282 175.858 176.094 0.076 0.000 1.029 395 V CA -0.503 61.804 62.300 0.013 0.000 0.870 395 V CB 0.402 32.195 31.823 -0.050 0.000 0.984 395 V HN 0.425 nan 8.190 nan 0.000 0.451 396 L N 4.194 125.480 121.223 0.105 0.000 2.322 396 L HA 0.736 5.076 4.340 0.001 0.000 0.269 396 L C -0.341 176.625 176.870 0.160 0.000 1.012 396 L CA -0.900 54.008 54.840 0.114 0.000 0.815 396 L CB 2.087 44.179 42.059 0.056 0.000 1.295 396 L HN 0.531 nan 8.230 nan 0.000 0.438 397 K N 1.769 122.232 120.400 0.106 0.000 2.601 397 K HA 0.293 4.613 4.320 0.001 0.000 0.249 397 K C -0.844 175.756 176.600 0.001 0.000 0.966 397 K CA -0.461 55.831 56.287 0.008 0.000 0.827 397 K CB 0.767 33.270 32.500 0.004 0.000 1.178 397 K HN 0.686 nan 8.250 nan 0.000 0.437 398 N N 3.597 122.281 118.700 -0.027 0.000 2.754 398 N HA -0.211 4.530 4.740 0.001 0.000 0.248 398 N C -0.715 174.797 175.510 0.003 0.000 1.093 398 N CA 1.514 54.556 53.050 -0.013 0.000 0.699 398 N CB -1.089 37.394 38.487 -0.007 0.000 1.016 398 N HN 1.061 nan 8.380 nan 0.000 0.552 399 D N -1.179 119.224 120.400 0.005 0.000 2.983 399 D HA -0.192 4.449 4.640 0.001 0.000 0.225 399 D C -0.708 175.603 176.300 0.019 0.000 1.174 399 D CA 1.615 55.620 54.000 0.009 0.000 0.831 399 D CB -0.499 40.302 40.800 0.001 0.000 1.104 399 D HN 0.623 nan 8.370 nan 0.000 0.421 400 K N -0.046 120.374 120.400 0.033 0.000 2.378 400 K HA 0.515 4.835 4.320 0.001 0.000 0.252 400 K C -2.634 174.005 176.600 0.064 0.000 0.931 400 K CA -2.051 54.262 56.287 0.042 0.000 0.794 400 K CB 2.140 34.666 32.500 0.042 0.000 1.181 400 K HN -0.126 nan 8.250 nan 0.000 0.425 401 P HA -0.005 nan 4.420 nan 0.000 0.266 401 P C -0.885 176.472 177.300 0.096 0.000 1.193 401 P CA -0.003 63.137 63.100 0.066 0.000 0.770 401 P CB 0.332 32.058 31.700 0.044 0.000 0.836 402 I N -1.430 119.211 120.570 0.118 0.000 3.195 402 I HA 0.576 4.747 4.170 0.001 0.000 0.313 402 I C -0.884 175.309 176.117 0.127 0.000 1.237 402 I CA -1.266 60.134 61.300 0.168 0.000 0.963 402 I CB 2.028 40.219 38.000 0.318 0.000 1.278 402 I HN 0.003 nan 8.210 nan 0.000 0.460 403 R N 1.701 122.282 120.500 0.134 0.000 2.215 403 R HA 0.442 4.783 4.340 0.001 0.000 0.337 403 R C 0.518 176.876 176.300 0.098 0.000 1.010 403 R CA -0.404 55.738 56.100 0.070 0.000 0.871 403 R CB 1.426 31.742 30.300 0.027 0.000 1.134 403 R HN 0.870 nan 8.270 nan 0.000 0.477 404 S N 2.034 117.745 115.700 0.018 0.000 2.372 404 S HA -0.208 4.263 4.470 0.001 0.000 0.227 404 S C 2.000 176.594 174.600 -0.010 0.000 1.044 404 S CA 1.888 60.063 58.200 -0.042 0.000 1.050 404 S CB -0.160 62.941 63.200 -0.164 0.000 0.901 404 S HN 0.928 nan 8.310 nan 0.000 0.447 405 G N 0.680 109.433 108.800 -0.078 0.000 2.485 405 G HA2 -0.264 3.697 3.960 0.001 0.000 0.221 405 G HA3 -0.264 3.697 3.960 0.001 0.000 0.221 405 G C 1.233 176.085 174.900 -0.081 0.000 1.115 405 G CA 0.745 45.770 45.100 -0.126 0.000 0.751 405 G HN 0.529 nan 8.290 nan 0.000 0.567 406 Q N -0.980 118.782 119.800 -0.063 0.000 2.291 406 Q HA 0.031 4.371 4.340 0.001 0.000 0.205 406 Q C -0.130 175.676 176.000 -0.323 0.000 0.970 406 Q CA 0.326 56.005 55.803 -0.207 0.000 0.876 406 Q CB 0.024 28.574 28.738 -0.314 0.000 0.935 406 Q HN 0.537 nan 8.270 nan 0.000 0.455 407 F N 0.546 120.473 119.950 -0.038 0.000 2.385 407 F HA 0.140 4.668 4.527 0.001 0.000 0.360 407 F C 0.892 176.660 175.800 -0.054 0.000 1.122 407 F CA -0.787 57.207 58.000 -0.009 0.000 1.090 407 F CB 1.077 40.094 39.000 0.030 0.000 1.150 407 F HN -0.116 nan 8.300 nan 0.000 0.472 408 D N 2.813 123.276 120.400 0.104 0.000 2.123 408 D HA -0.173 4.467 4.640 0.001 0.000 0.196 408 D C 2.263 178.586 176.300 0.037 0.000 0.992 408 D CA 1.683 55.709 54.000 0.043 0.000 0.833 408 D CB -0.133 40.692 40.800 0.041 0.000 0.954 408 D HN 0.825 nan 8.370 nan 0.000 0.455 409 G N 1.255 110.110 108.800 0.092 0.000 2.469 409 G HA2 -0.229 3.731 3.960 0.001 0.000 0.219 409 G HA3 -0.229 3.731 3.960 0.001 0.000 0.219 409 G C 1.821 176.703 174.900 -0.030 0.000 1.150 409 G CA 0.261 45.390 45.100 0.048 0.000 0.763 409 G HN 0.247 nan 8.290 nan 0.000 0.561 410 L N 0.306 121.506 121.223 -0.038 0.000 2.201 410 L HA -0.070 4.270 4.340 0.001 0.000 0.212 410 L C 2.963 179.723 176.870 -0.184 0.000 1.105 410 L CA 0.285 55.028 54.840 -0.162 0.000 0.775 410 L CB -0.309 41.598 42.059 -0.254 0.000 0.913 410 L HN 0.116 nan 8.230 nan 0.000 0.440 411 V N -0.178 119.637 119.914 -0.165 0.000 2.343 411 V HA -0.294 3.827 4.120 0.001 0.000 0.247 411 V C 2.398 178.375 176.094 -0.196 0.000 1.051 411 V CA 1.966 64.119 62.300 -0.245 0.000 1.036 411 V CB -0.395 31.293 31.823 -0.224 0.000 0.654 411 V HN 0.487 nan 8.190 nan 0.000 0.451 412 E N -0.358 119.757 120.200 -0.142 0.000 2.107 412 E HA -0.165 4.186 4.350 0.001 0.000 0.191 412 E C 2.265 178.733 176.600 -0.219 0.000 0.982 412 E CA 0.659 56.965 56.400 -0.157 0.000 0.809 412 E CB -0.056 29.593 29.700 -0.086 0.000 0.756 412 E HN 0.375 nan 8.360 nan 0.000 0.459 413 L N 1.084 122.191 121.223 -0.193 0.000 1.990 413 L HA -0.187 4.153 4.340 0.001 0.000 0.213 413 L C 2.343 179.085 176.870 -0.214 0.000 1.072 413 L CA 2.365 57.082 54.840 -0.206 0.000 0.755 413 L CB -1.392 40.553 42.059 -0.191 0.000 0.889 413 L HN 0.210 nan 8.230 nan 0.000 0.432 414 A N -1.343 121.350 122.820 -0.211 0.000 1.933 414 A HA -0.205 4.115 4.320 0.001 0.000 0.218 414 A C 2.207 179.668 177.584 -0.205 0.000 1.175 414 A CA 2.229 54.150 52.037 -0.193 0.000 0.628 414 A CB -0.962 17.918 19.000 -0.200 0.000 0.814 414 A HN 0.528 nan 8.150 nan 0.000 0.444 415 T N 0.302 114.701 114.554 -0.257 0.000 2.746 415 T HA -0.083 4.268 4.350 0.001 0.000 0.267 415 T C 1.779 176.165 174.700 -0.524 0.000 1.039 415 T CA 1.498 63.391 62.100 -0.346 0.000 1.142 415 T CB -0.378 68.247 68.868 -0.404 0.000 0.866 415 T HN 0.449 nan 8.240 nan 0.000 0.444 416 I N 0.655 120.909 120.570 -0.527 0.000 2.202 416 I HA -0.164 4.007 4.170 0.001 0.000 0.242 416 I C 2.589 178.571 176.117 -0.226 0.000 1.091 416 I CA 0.854 61.886 61.300 -0.445 0.000 1.368 416 I CB -0.474 37.361 38.000 -0.275 0.000 1.058 416 I HN 0.312 nan 8.210 nan 0.000 0.410 417 C N 0.853 120.044 119.300 -0.183 0.000 2.422 417 C HA -0.104 4.357 4.460 0.001 0.000 0.279 417 C C 3.130 178.063 174.990 -0.096 0.000 1.305 417 C CA 0.922 59.871 59.018 -0.115 0.000 1.757 417 C CB -1.270 26.406 27.740 -0.106 0.000 1.962 417 C HN 0.592 nan 8.230 nan 0.000 0.499 418 A N 0.226 122.976 122.820 -0.118 0.000 1.874 418 A HA 0.052 4.372 4.320 0.001 0.000 0.214 418 A C 2.106 179.654 177.584 -0.060 0.000 1.189 418 A CA 1.117 53.107 52.037 -0.079 0.000 0.615 418 A CB -0.428 18.530 19.000 -0.071 0.000 0.830 418 A HN 0.562 nan 8.150 nan 0.000 0.443 419 L N -1.244 119.927 121.223 -0.087 0.000 2.068 419 L HA -0.047 4.294 4.340 0.001 0.000 0.204 419 L C 1.594 178.479 176.870 0.024 0.000 1.076 419 L CA 0.476 55.305 54.840 -0.019 0.000 0.753 419 L CB -0.474 41.592 42.059 0.012 0.000 0.910 419 L HN 0.436 nan 8.230 nan 0.000 0.439 420 C N 2.600 121.911 119.300 0.018 0.000 3.025 420 C HA 0.285 4.746 4.460 0.001 0.000 0.547 420 C C 0.234 175.238 174.990 0.023 0.000 1.058 420 C CA -0.382 58.665 59.018 0.049 0.000 1.164 420 C CB -2.386 25.396 27.740 0.070 0.000 1.405 420 C HN 0.360 nan 8.230 nan 0.000 0.610 421 N N 1.188 119.898 118.700 0.018 0.000 2.367 421 N HA 0.274 5.015 4.740 0.001 0.000 0.278 421 N C -0.644 174.873 175.510 0.012 0.000 1.117 421 N CA -0.263 52.790 53.050 0.006 0.000 0.867 421 N CB 1.823 40.302 38.487 -0.013 0.000 1.649 421 N HN 0.346 nan 8.380 nan 0.000 0.479 422 D N 0.133 120.538 120.400 0.008 0.000 2.469 422 D HA 0.253 4.894 4.640 0.001 0.000 0.213 422 D C -0.260 176.039 176.300 -0.003 0.000 1.135 422 D CA 0.340 54.347 54.000 0.012 0.000 0.834 422 D CB 0.756 41.569 40.800 0.022 0.000 1.009 422 D HN 0.329 nan 8.370 nan 0.000 0.507 423 S N -0.586 115.104 115.700 -0.018 0.000 2.786 423 S HA 0.772 5.243 4.470 0.001 0.000 0.307 423 S C 0.113 174.693 174.600 -0.034 0.000 1.121 423 S CA -0.545 57.634 58.200 -0.035 0.000 0.975 423 S CB 2.052 65.215 63.200 -0.062 0.000 1.220 423 S HN 0.203 nan 8.310 nan 0.000 0.550 424 S N -0.507 115.165 115.700 -0.047 0.000 2.661 424 S HA 0.715 5.186 4.470 0.001 0.000 0.268 424 S C -1.871 172.702 174.600 -0.044 0.000 1.162 424 S CA -0.730 57.450 58.200 -0.033 0.000 0.817 424 S CB 0.701 63.896 63.200 -0.009 0.000 1.141 424 S HN 0.405 nan 8.310 nan 0.000 0.477 425 L N 1.195 122.414 121.223 -0.006 0.000 2.334 425 L HA 0.856 5.196 4.340 0.001 0.000 0.273 425 L C -1.170 175.760 176.870 0.099 0.000 1.013 425 L CA 0.126 54.985 54.840 0.032 0.000 0.816 425 L CB 1.663 43.748 42.059 0.044 0.000 1.278 425 L HN 1.023 nan 8.230 nan 0.000 0.431 426 D N 1.493 121.985 120.400 0.153 0.000 2.947 426 D HA 0.288 4.929 4.640 0.001 0.000 0.224 426 D C -1.717 174.724 176.300 0.234 0.000 1.230 426 D CA -0.335 53.764 54.000 0.165 0.000 0.871 426 D CB 1.174 42.017 40.800 0.070 0.000 1.671 426 D HN 0.237 nan 8.370 nan 0.000 0.507 427 F N 3.851 123.832 119.950 0.052 0.000 2.411 427 F HA 0.385 4.912 4.527 0.001 0.000 0.355 427 F C 0.079 175.818 175.800 -0.102 0.000 1.117 427 F CA -0.792 57.133 58.000 -0.125 0.000 1.139 427 F CB 0.791 39.630 39.000 -0.268 0.000 1.120 427 F HN 0.275 nan 8.300 nan 0.000 0.493 428 N N 5.718 123.988 118.700 -0.717 0.000 2.663 428 N HA 0.013 4.753 4.740 0.001 0.000 0.250 428 N C 0.842 175.903 175.510 -0.749 0.000 1.129 428 N CA 0.277 53.014 53.050 -0.521 0.000 0.995 428 N CB 0.198 38.475 38.487 -0.350 0.000 1.324 428 N HN 0.803 nan 8.380 nan 0.000 0.512 429 E N 0.785 120.715 120.200 -0.451 0.000 2.171 429 E HA -0.179 4.171 4.350 0.001 0.000 0.197 429 E C 0.976 177.472 176.600 -0.174 0.000 0.997 429 E CA 1.556 57.828 56.400 -0.214 0.000 0.810 429 E CB 0.256 29.975 29.700 0.032 0.000 0.738 429 E HN 0.593 nan 8.360 nan 0.000 0.467 430 T N 1.246 115.701 114.554 -0.164 0.000 2.674 430 T HA -0.139 4.211 4.350 0.001 0.000 0.265 430 T C 1.595 176.220 174.700 -0.125 0.000 1.039 430 T CA 1.247 63.281 62.100 -0.110 0.000 1.150 430 T CB -0.076 68.738 68.868 -0.090 0.000 0.864 430 T HN 0.155 nan 8.240 nan 0.000 0.427 431 K N 0.570 120.859 120.400 -0.184 0.000 2.426 431 K HA 0.303 4.623 4.320 0.001 0.000 0.193 431 K C 1.422 177.910 176.600 -0.188 0.000 1.028 431 K CA 0.428 56.621 56.287 -0.156 0.000 1.047 431 K CB 0.292 32.706 32.500 -0.142 0.000 0.821 431 K HN 0.405 nan 8.250 nan 0.000 0.513 432 G N 2.121 110.734 108.800 -0.311 0.000 2.198 432 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 432 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 432 G C 0.074 174.817 174.900 -0.262 0.000 1.025 432 G CA 0.503 45.459 45.100 -0.240 0.000 0.769 432 G HN 0.295 nan 8.290 nan 0.000 0.507 433 V N -4.368 115.207 119.914 -0.565 0.000 3.114 433 V HA 0.802 4.923 4.120 0.001 0.000 0.308 433 V C -0.145 175.742 176.094 -0.345 0.000 1.168 433 V CA -2.550 59.603 62.300 -0.245 0.000 1.015 433 V CB 1.335 33.132 31.823 -0.043 0.000 1.050 433 V HN 0.310 nan 8.190 nan 0.000 0.433 434 Y N 1.061 121.455 120.300 0.156 0.000 2.359 434 Y HA 0.575 5.126 4.550 0.001 0.000 0.330 434 Y C 0.847 176.825 175.900 0.130 0.000 1.143 434 Y CA 0.326 58.550 58.100 0.208 0.000 1.318 434 Y CB 0.862 39.490 38.460 0.280 0.000 1.234 434 Y HN 0.700 nan 8.280 nan 0.000 0.522 435 E N 2.443 122.773 120.200 0.217 0.000 2.320 435 E HA 0.324 4.675 4.350 0.001 0.000 0.264 435 E C -1.088 175.522 176.600 0.016 0.000 0.923 435 E CA -1.415 55.062 56.400 0.129 0.000 0.796 435 E CB 2.106 31.827 29.700 0.036 0.000 1.262 435 E HN 0.493 nan 8.360 nan 0.000 0.428 436 K N -0.458 119.856 120.400 -0.143 0.000 2.118 436 K HA 0.507 4.828 4.320 0.001 0.000 0.264 436 K C -0.778 175.728 176.600 -0.156 0.000 1.000 436 K CA -0.619 55.465 56.287 -0.340 0.000 0.929 436 K CB 1.073 33.166 32.500 -0.678 0.000 1.021 436 K HN 0.146 nan 8.250 nan 0.000 0.463 437 V N 1.845 121.675 119.914 -0.140 0.000 2.398 437 V HA 0.546 4.666 4.120 0.001 0.000 0.282 437 V C 0.302 176.351 176.094 -0.075 0.000 1.014 437 V CA 0.198 62.454 62.300 -0.073 0.000 0.838 437 V CB 0.062 31.861 31.823 -0.039 0.000 1.018 437 V HN 1.209 nan 8.190 nan 0.000 0.432 438 G N 4.484 113.246 108.800 -0.063 0.000 2.416 438 G HA2 -0.090 3.870 3.960 0.001 0.000 0.203 438 G HA3 -0.090 3.870 3.960 0.001 0.000 0.203 438 G C -0.599 174.264 174.900 -0.062 0.000 1.227 438 G CA -0.677 44.393 45.100 -0.050 0.000 1.041 438 G HN 0.572 nan 8.290 nan 0.000 0.546 439 E N 0.600 120.769 120.200 -0.053 0.000 2.354 439 E HA 0.460 4.810 4.350 0.001 0.000 0.269 439 E C 1.520 178.087 176.600 -0.055 0.000 1.036 439 E CA 0.063 56.437 56.400 -0.045 0.000 0.876 439 E CB 1.467 31.143 29.700 -0.040 0.000 1.009 439 E HN 0.900 nan 8.360 nan 0.000 0.416 440 A N 2.634 125.447 122.820 -0.012 0.000 1.883 440 A HA -0.213 4.107 4.320 0.001 0.000 0.217 440 A C 2.186 179.815 177.584 0.076 0.000 1.186 440 A CA 2.364 54.436 52.037 0.060 0.000 0.624 440 A CB -1.012 18.076 19.000 0.146 0.000 0.822 440 A HN 0.758 nan 8.150 nan 0.000 0.444 441 T N -2.525 112.052 114.554 0.038 0.000 3.007 441 T HA -0.023 4.328 4.350 0.001 0.000 0.270 441 T C 1.401 176.109 174.700 0.012 0.000 1.107 441 T CA 1.406 63.525 62.100 0.031 0.000 1.118 441 T CB -0.176 68.695 68.868 0.006 0.000 0.889 441 T HN 0.633 nan 8.240 nan 0.000 0.506 442 E N 0.683 120.876 120.200 -0.012 0.000 2.166 442 E HA 0.008 4.358 4.350 0.001 0.000 0.192 442 E C 2.164 178.744 176.600 -0.033 0.000 0.967 442 E CA 0.901 57.287 56.400 -0.023 0.000 0.840 442 E CB -0.047 29.633 29.700 -0.033 0.000 0.795 442 E HN 0.480 nan 8.360 nan 0.000 0.470 443 T N 1.319 115.833 114.554 -0.066 0.000 2.915 443 T HA -0.080 4.271 4.350 0.001 0.000 0.269 443 T C 1.986 176.687 174.700 0.001 0.000 1.071 443 T CA 0.972 62.999 62.100 -0.122 0.000 1.132 443 T CB -0.080 68.551 68.868 -0.396 0.000 0.878 443 T HN 0.178 nan 8.240 nan 0.000 0.479 444 A N 1.393 124.268 122.820 0.093 0.000 1.933 444 A HA 0.013 4.333 4.320 0.001 0.000 0.218 444 A C 2.248 179.860 177.584 0.047 0.000 1.175 444 A CA 1.101 53.218 52.037 0.133 0.000 0.628 444 A CB -0.713 18.355 19.000 0.114 0.000 0.814 444 A HN 0.485 nan 8.150 nan 0.000 0.444 445 L N -1.047 120.184 121.223 0.013 0.000 2.072 445 L HA -0.128 4.213 4.340 0.001 0.000 0.205 445 L C 2.781 179.635 176.870 -0.026 0.000 1.079 445 L CA 1.671 56.501 54.840 -0.016 0.000 0.752 445 L CB -1.139 40.904 42.059 -0.026 0.000 0.906 445 L HN 0.328 nan 8.230 nan 0.000 0.436 446 T N -0.889 113.650 114.554 -0.025 0.000 2.652 446 T HA -0.204 4.146 4.350 0.001 0.000 0.267 446 T C 1.916 176.599 174.700 -0.029 0.000 1.039 446 T CA 2.102 64.183 62.100 -0.032 0.000 1.153 446 T CB -0.363 68.481 68.868 -0.039 0.000 0.863 446 T HN 0.309 nan 8.240 nan 0.000 0.428 447 T N 2.299 116.850 114.554 -0.005 0.000 2.759 447 T HA -0.068 4.282 4.350 0.001 0.000 0.269 447 T C 1.905 176.588 174.700 -0.028 0.000 1.042 447 T CA 1.006 63.104 62.100 -0.003 0.000 1.140 447 T CB -0.495 68.421 68.868 0.079 0.000 0.864 447 T HN 0.153 nan 8.240 nan 0.000 0.455 448 L N 1.355 122.564 121.223 -0.024 0.000 1.989 448 L HA -0.060 4.281 4.340 0.001 0.000 0.211 448 L C 2.429 179.259 176.870 -0.066 0.000 1.071 448 L CA 1.605 56.417 54.840 -0.046 0.000 0.749 448 L CB -0.849 41.183 42.059 -0.046 0.000 0.890 448 L HN 0.073 nan 8.230 nan 0.000 0.431 449 V N 0.078 119.952 119.914 -0.066 0.000 2.392 449 V HA -0.260 3.861 4.120 0.001 0.000 0.249 449 V C 2.683 178.738 176.094 -0.066 0.000 1.059 449 V CA 1.861 64.117 62.300 -0.075 0.000 1.051 449 V CB -0.782 31.002 31.823 -0.065 0.000 0.658 449 V HN 0.498 nan 8.190 nan 0.000 0.455 450 E N 0.211 120.375 120.200 -0.060 0.000 2.106 450 E HA -0.179 4.172 4.350 0.001 0.000 0.192 450 E C 2.234 178.794 176.600 -0.066 0.000 0.984 450 E CA 1.078 57.440 56.400 -0.062 0.000 0.806 450 E CB -0.194 29.456 29.700 -0.083 0.000 0.750 450 E HN 0.624 nan 8.360 nan 0.000 0.458 451 K N 0.086 120.445 120.400 -0.070 0.000 2.062 451 K HA 0.049 4.370 4.320 0.001 0.000 0.205 451 K C 2.317 178.876 176.600 -0.069 0.000 1.051 451 K CA 0.993 57.240 56.287 -0.065 0.000 0.941 451 K CB -0.113 32.350 32.500 -0.061 0.000 0.719 451 K HN 0.078 nan 8.250 nan 0.000 0.440 452 M N 0.802 120.349 119.600 -0.088 0.000 2.159 452 M HA -0.117 4.364 4.480 0.001 0.000 0.263 452 M C 0.563 176.801 176.300 -0.103 0.000 1.063 452 M CA 0.643 55.876 55.300 -0.113 0.000 1.110 452 M CB -0.619 31.890 32.600 -0.152 0.000 1.374 452 M HN 0.162 nan 8.290 nan 0.000 0.411 453 N N 1.313 119.962 118.700 -0.085 0.000 2.689 453 N HA -0.134 4.606 4.740 0.001 0.000 0.263 453 N C 0.493 175.940 175.510 -0.105 0.000 0.987 453 N CA 0.629 53.643 53.050 -0.060 0.000 0.782 453 N CB -0.662 37.806 38.487 -0.031 0.000 0.903 453 N HN 0.380 nan 8.380 nan 0.000 0.547 454 V N -2.655 117.130 119.914 -0.215 0.000 2.660 454 V HA -0.156 3.965 4.120 0.001 0.000 0.257 454 V C 1.601 177.405 176.094 -0.484 0.000 1.088 454 V CA 1.710 63.779 62.300 -0.386 0.000 1.106 454 V CB -0.823 30.654 31.823 -0.576 0.000 0.686 454 V HN 0.267 nan 8.190 nan 0.000 0.481 455 F N 0.922 120.851 119.950 -0.035 0.000 2.641 455 F HA 0.475 5.002 4.527 0.001 0.000 0.302 455 F C 1.160 176.946 175.800 -0.023 0.000 1.098 455 F CA -0.927 57.056 58.000 -0.028 0.000 1.318 455 F CB -0.826 38.156 39.000 -0.030 0.000 1.035 455 F HN 0.189 nan 8.300 nan 0.000 0.551 456 N N 0.965 119.709 118.700 0.073 0.000 2.716 456 N HA -0.178 4.562 4.740 0.001 0.000 0.250 456 N C -0.208 175.338 175.510 0.061 0.000 1.033 456 N CA 1.001 54.080 53.050 0.048 0.000 0.727 456 N CB -1.382 37.126 38.487 0.036 0.000 0.950 456 N HN 0.136 nan 8.380 nan 0.000 0.541 457 T N 0.801 115.400 114.554 0.075 0.000 2.901 457 T HA 0.052 4.402 4.350 0.001 0.000 0.301 457 T C 0.784 175.500 174.700 0.027 0.000 1.012 457 T CA -0.201 61.932 62.100 0.055 0.000 1.135 457 T CB 1.378 70.282 68.868 0.060 0.000 0.936 457 T HN 0.124 nan 8.240 nan 0.000 0.539 458 E N 2.282 122.493 120.200 0.018 0.000 2.351 458 E HA 0.157 4.507 4.350 0.001 0.000 0.266 458 E C 0.558 177.161 176.600 0.005 0.000 1.031 458 E CA -0.170 56.235 56.400 0.009 0.000 0.911 458 E CB 0.196 29.900 29.700 0.006 0.000 0.986 458 E HN 0.458 nan 8.360 nan 0.000 0.446 459 V N 1.882 121.797 119.914 0.001 0.000 3.398 459 V HA 0.302 4.422 4.120 0.001 0.000 0.298 459 V C 1.485 177.575 176.094 -0.006 0.000 1.496 459 V CA -0.137 62.160 62.300 -0.003 0.000 1.044 459 V CB 0.058 31.876 31.823 -0.008 0.000 0.880 459 V HN 0.496 nan 8.190 nan 0.000 0.443 460 R N 1.394 121.891 120.500 -0.005 0.000 2.062 460 R HA -0.032 4.308 4.340 0.001 0.000 0.231 460 R C 2.088 178.383 176.300 -0.008 0.000 1.136 460 R CA 2.024 58.121 56.100 -0.005 0.000 0.948 460 R CB -0.380 29.918 30.300 -0.003 0.000 0.845 460 R HN 0.553 nan 8.270 nan 0.000 0.430 461 N N 1.017 119.714 118.700 -0.006 0.000 2.142 461 N HA -0.084 4.657 4.740 0.001 0.000 0.186 461 N C 0.912 176.415 175.510 -0.012 0.000 1.023 461 N CA 0.656 53.701 53.050 -0.008 0.000 0.852 461 N CB -0.353 38.131 38.487 -0.005 0.000 0.998 461 N HN 0.109 nan 8.380 nan 0.000 0.424 462 L N 1.509 122.726 121.223 -0.011 0.000 2.517 462 L HA -0.088 4.252 4.340 0.001 0.000 0.294 462 L C 1.283 178.137 176.870 -0.027 0.000 1.264 462 L CA -0.055 54.777 54.840 -0.014 0.000 0.839 462 L CB 0.062 42.116 42.059 -0.008 0.000 1.098 462 L HN 0.219 nan 8.230 nan 0.000 0.525 463 S N 1.021 116.700 115.700 -0.036 0.000 2.738 463 S HA 0.321 4.791 4.470 0.001 0.000 0.284 463 S C 0.828 175.360 174.600 -0.114 0.000 1.146 463 S CA -0.907 57.249 58.200 -0.073 0.000 0.997 463 S CB 1.470 64.631 63.200 -0.065 0.000 1.081 463 S HN 0.480 nan 8.310 nan 0.000 0.553 464 K N 0.583 120.823 120.400 -0.268 0.000 1.991 464 K HA -0.108 4.212 4.320 0.001 0.000 0.212 464 K C 2.338 178.778 176.600 -0.266 0.000 1.049 464 K CA 1.747 57.721 56.287 -0.523 0.000 0.932 464 K CB -1.548 29.988 32.500 -1.606 0.000 0.717 464 K HN 0.711 nan 8.250 nan 0.000 0.441 465 V N -0.237 119.572 119.914 -0.175 0.000 2.392 465 V HA -0.240 3.880 4.120 0.001 0.000 0.249 465 V C 1.852 177.990 176.094 0.073 0.000 1.059 465 V CA 1.897 64.233 62.300 0.060 0.000 1.051 465 V CB -0.713 31.161 31.823 0.085 0.000 0.658 465 V HN 0.256 nan 8.190 nan 0.000 0.455 466 E N 0.241 120.457 120.200 0.027 0.000 2.170 466 E HA -0.072 4.278 4.350 0.001 0.000 0.191 466 E C 2.313 178.935 176.600 0.037 0.000 0.981 466 E CA 0.781 57.200 56.400 0.030 0.000 0.830 466 E CB -0.201 29.504 29.700 0.009 0.000 0.775 466 E HN 0.477 nan 8.360 nan 0.000 0.470 467 R N 1.505 122.028 120.500 0.039 0.000 2.096 467 R HA -0.052 4.288 4.340 0.001 0.000 0.235 467 R C 1.987 178.306 176.300 0.031 0.000 1.127 467 R CA 1.437 57.554 56.100 0.029 0.000 0.968 467 R CB -0.728 29.588 30.300 0.027 0.000 0.861 467 R HN 0.156 nan 8.270 nan 0.000 0.440 468 A N 0.397 123.296 122.820 0.131 0.000 1.971 468 A HA -0.200 4.120 4.320 0.001 0.000 0.222 468 A C 1.186 178.792 177.584 0.037 0.000 1.182 468 A CA 2.143 54.255 52.037 0.125 0.000 0.649 468 A CB -0.341 18.841 19.000 0.304 0.000 0.818 468 A HN 0.571 nan 8.150 nan 0.000 0.458 469 N N -2.119 116.604 118.700 0.038 0.000 2.307 469 N HA 0.319 5.060 4.740 0.001 0.000 0.248 469 N C 1.147 176.663 175.510 0.011 0.000 1.322 469 N CA 0.640 53.700 53.050 0.017 0.000 0.861 469 N CB 0.583 39.086 38.487 0.026 0.000 1.303 469 N HN 0.390 nan 8.380 nan 0.000 0.498 470 A N 0.590 123.415 122.820 0.008 0.000 1.873 470 A HA -0.188 4.133 4.320 0.001 0.000 0.218 470 A C 2.314 179.905 177.584 0.012 0.000 1.193 470 A CA 1.511 53.553 52.037 0.008 0.000 0.629 470 A CB -0.810 18.192 19.000 0.004 0.000 0.826 470 A HN 0.439 nan 8.150 nan 0.000 0.447 471 C N -0.490 118.815 119.300 0.009 0.000 2.450 471 C HA -0.015 4.446 4.460 0.001 0.000 0.279 471 C C 2.616 177.624 174.990 0.031 0.000 1.335 471 C CA 0.728 59.762 59.018 0.027 0.000 1.749 471 C CB -1.488 26.257 27.740 0.009 0.000 1.963 471 C HN 0.616 nan 8.230 nan 0.000 0.501 472 N N 1.288 119.993 118.700 0.008 0.000 2.188 472 N HA -0.089 4.652 4.740 0.001 0.000 0.184 472 N C 1.825 177.340 175.510 0.009 0.000 1.018 472 N CA 1.293 54.345 53.050 0.003 0.000 0.858 472 N CB -0.278 38.204 38.487 -0.008 0.000 0.989 472 N HN 0.440 nan 8.380 nan 0.000 0.426 473 S N 0.494 116.199 115.700 0.008 0.000 2.423 473 S HA -0.023 4.448 4.470 0.001 0.000 0.231 473 S C 2.229 176.828 174.600 -0.003 0.000 1.014 473 S CA 0.346 58.549 58.200 0.004 0.000 0.965 473 S CB -0.039 63.163 63.200 0.004 0.000 0.785 473 S HN 0.083 nan 8.310 nan 0.000 0.495 474 V N 2.017 121.935 119.914 0.007 0.000 2.358 474 V HA -0.139 3.982 4.120 0.001 0.000 0.246 474 V C 2.011 178.082 176.094 -0.039 0.000 1.047 474 V CA 1.492 63.783 62.300 -0.016 0.000 1.035 474 V CB -0.537 31.303 31.823 0.029 0.000 0.658 474 V HN 0.467 nan 8.190 nan 0.000 0.452 475 I N -0.454 120.134 120.570 0.029 0.000 2.315 475 I HA -0.209 3.961 4.170 0.001 0.000 0.248 475 I C 2.604 178.718 176.117 -0.004 0.000 1.117 475 I CA 1.392 62.714 61.300 0.038 0.000 1.404 475 I CB -0.399 37.642 38.000 0.067 0.000 1.071 475 I HN 0.206 nan 8.210 nan 0.000 0.419 476 R N 0.364 120.862 120.500 -0.004 0.000 2.237 476 R HA -0.140 4.200 4.340 0.001 0.000 0.219 476 R C 2.014 178.307 176.300 -0.012 0.000 1.080 476 R CA 0.818 56.917 56.100 -0.001 0.000 0.995 476 R CB -0.184 30.118 30.300 0.003 0.000 0.875 476 R HN 0.500 nan 8.270 nan 0.000 0.462 477 Q N -0.050 119.730 119.800 -0.033 0.000 2.389 477 Q HA 0.048 4.389 4.340 0.001 0.000 0.204 477 Q C 1.726 177.690 176.000 -0.060 0.000 0.944 477 Q CA 0.650 56.426 55.803 -0.046 0.000 0.908 477 Q CB 0.370 29.071 28.738 -0.061 0.000 1.002 477 Q HN 0.335 nan 8.270 nan 0.000 0.493 478 L N -0.978 120.201 121.223 -0.072 0.000 2.221 478 L HA 0.158 4.499 4.340 0.001 0.000 0.202 478 L C 0.508 177.366 176.870 -0.020 0.000 1.074 478 L CA 0.330 55.124 54.840 -0.076 0.000 0.795 478 L CB 0.322 42.302 42.059 -0.132 0.000 0.960 478 L HN 0.196 nan 8.230 nan 0.000 0.458 479 M N 0.542 120.147 119.600 0.009 0.000 2.259 479 M HA 0.309 4.789 4.480 0.001 0.000 0.304 479 M C -0.797 175.530 176.300 0.045 0.000 1.019 479 M CA -0.208 55.121 55.300 0.048 0.000 0.922 479 M CB 2.045 34.716 32.600 0.119 0.000 1.600 479 M HN -0.091 nan 8.290 nan 0.000 0.433 480 K N 2.751 123.174 120.400 0.039 0.000 2.156 480 K HA 0.323 4.644 4.320 0.001 0.000 0.271 480 K C -0.551 176.073 176.600 0.040 0.000 0.995 480 K CA -0.408 55.901 56.287 0.036 0.000 0.890 480 K CB 1.551 34.070 32.500 0.032 0.000 1.073 480 K HN 0.645 nan 8.250 nan 0.000 0.454 481 K N 4.044 124.467 120.400 0.038 0.000 2.276 481 K HA 0.059 4.379 4.320 0.001 0.000 0.285 481 K C 0.116 176.729 176.600 0.023 0.000 1.062 481 K CA 0.053 56.351 56.287 0.018 0.000 0.918 481 K CB 0.801 33.317 32.500 0.026 0.000 1.055 481 K HN 0.633 nan 8.250 nan 0.000 0.477 482 E N 3.293 123.492 120.200 -0.002 0.000 2.166 482 E HA 0.040 4.391 4.350 0.001 0.000 0.192 482 E C -0.359 176.364 176.600 0.205 0.000 0.967 482 E CA 0.538 56.999 56.400 0.103 0.000 0.840 482 E CB 0.139 29.952 29.700 0.188 0.000 0.795 482 E HN 0.549 nan 8.360 nan 0.000 0.470 483 F N -1.978 117.988 119.950 0.027 0.000 2.741 483 F HA 0.512 5.040 4.527 0.001 0.000 0.311 483 F C -1.005 174.797 175.800 0.004 0.000 1.149 483 F CA -1.288 56.708 58.000 -0.007 0.000 0.930 483 F CB 1.261 40.221 39.000 -0.066 0.000 1.312 483 F HN -0.444 nan 8.300 nan 0.000 0.450 484 T N 2.519 117.175 114.554 0.170 0.000 2.823 484 T HA 0.571 4.921 4.350 0.001 0.000 0.279 484 T C -0.651 174.084 174.700 0.058 0.000 0.998 484 T CA -0.577 61.565 62.100 0.070 0.000 0.994 484 T CB 1.479 70.398 68.868 0.085 0.000 0.960 484 T HN 0.608 nan 8.240 nan 0.000 0.448 485 L N 4.193 125.368 121.223 -0.079 0.000 2.314 485 L HA 0.293 4.634 4.340 0.001 0.000 0.275 485 L C 1.184 178.072 176.870 0.031 0.000 1.068 485 L CA -0.740 53.866 54.840 -0.391 0.000 0.894 485 L CB 0.224 41.904 42.059 -0.631 0.000 1.275 485 L HN 0.742 nan 8.230 nan 0.000 0.432 486 E N 2.782 123.132 120.200 0.250 0.000 2.467 486 E HA -0.108 4.242 4.350 0.001 0.000 0.264 486 E C -0.309 176.526 176.600 0.392 0.000 1.020 486 E CA -0.459 56.130 56.400 0.316 0.000 0.945 486 E CB 0.784 30.671 29.700 0.311 0.000 0.942 486 E HN 0.313 nan 8.360 nan 0.000 0.449 487 F N 2.501 122.556 119.950 0.176 0.000 2.595 487 F HA 0.073 4.601 4.527 0.001 0.000 0.359 487 F C -0.128 175.758 175.800 0.144 0.000 1.147 487 F CA 0.572 58.662 58.000 0.151 0.000 1.341 487 F CB 0.621 39.684 39.000 0.104 0.000 1.104 487 F HN 0.534 nan 8.300 nan 0.000 0.603 488 S N 5.282 120.600 115.700 -0.637 0.000 2.540 488 S HA 0.466 4.937 4.470 0.001 0.000 0.275 488 S C 0.338 174.492 174.600 -0.744 0.000 1.123 488 S CA -1.099 56.844 58.200 -0.428 0.000 0.907 488 S CB 2.087 65.165 63.200 -0.203 0.000 1.081 488 S HN 0.812 nan 8.310 nan 0.000 0.476 489 R N 1.430 121.738 120.500 -0.320 0.000 2.117 489 R HA -0.158 4.182 4.340 0.001 0.000 0.243 489 R C 1.556 177.755 176.300 -0.168 0.000 1.143 489 R CA 2.276 58.278 56.100 -0.165 0.000 0.968 489 R CB -0.767 29.551 30.300 0.030 0.000 0.863 489 R HN 0.940 nan 8.270 nan 0.000 0.444 490 D N -0.092 120.214 120.400 -0.156 0.000 2.263 490 D HA -0.208 4.432 4.640 0.001 0.000 0.208 490 D C 1.956 178.183 176.300 -0.122 0.000 0.971 490 D CA 0.964 54.895 54.000 -0.115 0.000 0.867 490 D CB 0.001 40.738 40.800 -0.105 0.000 0.929 490 D HN 0.188 nan 8.370 nan 0.000 0.492 491 R N 0.399 120.785 120.500 -0.189 0.000 2.287 491 R HA 0.114 4.455 4.340 0.001 0.000 0.197 491 R C 0.061 176.267 176.300 -0.156 0.000 0.900 491 R CA -0.048 55.966 56.100 -0.144 0.000 1.052 491 R CB 0.250 30.483 30.300 -0.113 0.000 1.117 491 R HN -0.140 nan 8.270 nan 0.000 0.568 492 K N 1.359 121.551 120.400 -0.347 0.000 3.096 492 K HA -0.165 4.155 4.320 0.001 0.000 0.266 492 K C -1.160 175.491 176.600 0.086 0.000 1.043 492 K CA 0.941 57.141 56.287 -0.145 0.000 0.758 492 K CB -1.619 30.927 32.500 0.078 0.000 1.260 492 K HN 0.554 nan 8.250 nan 0.000 0.481 493 S N -1.136 114.554 115.700 -0.016 0.000 2.611 493 S HA 0.783 5.254 4.470 0.001 0.000 0.268 493 S C -0.753 173.978 174.600 0.219 0.000 1.156 493 S CA -0.873 57.440 58.200 0.188 0.000 0.817 493 S CB 2.576 65.842 63.200 0.111 0.000 1.122 493 S HN 0.424 nan 8.310 nan 0.000 0.466 494 M N 0.298 120.034 119.600 0.227 0.000 2.569 494 M HA 0.861 5.341 4.480 0.001 0.000 0.279 494 M C -1.415 174.963 176.300 0.129 0.000 1.253 494 M CA -0.483 54.940 55.300 0.206 0.000 0.867 494 M CB 2.041 34.802 32.600 0.269 0.000 1.727 494 M HN 1.247 nan 8.290 nan 0.000 0.467 495 S N 0.672 116.422 115.700 0.083 0.000 2.596 495 S HA 0.881 5.352 4.470 0.001 0.000 0.270 495 S C -0.966 173.632 174.600 -0.003 0.000 1.155 495 S CA -0.374 57.852 58.200 0.045 0.000 0.827 495 S CB 1.695 64.909 63.200 0.024 0.000 1.130 495 S HN 1.625 nan 8.310 nan 0.000 0.467 496 V N -0.620 119.282 119.914 -0.019 0.000 2.656 496 V HA 0.746 4.866 4.120 0.001 0.000 0.307 496 V C -1.302 174.666 176.094 -0.210 0.000 1.051 496 V CA -0.916 61.334 62.300 -0.085 0.000 0.893 496 V CB 1.204 33.034 31.823 0.011 0.000 0.999 496 V HN 1.011 nan 8.190 nan 0.000 0.426 497 Y N 3.648 123.594 120.300 -0.591 0.000 2.326 497 Y HA 0.750 5.300 4.550 0.001 0.000 0.337 497 Y C -0.058 175.527 175.900 -0.525 0.000 1.023 497 Y CA -0.571 57.110 58.100 -0.698 0.000 1.143 497 Y CB 0.981 38.693 38.460 -1.246 0.000 1.183 497 Y HN 1.022 nan 8.280 nan 0.000 0.485 498 C N 3.412 122.431 119.300 -0.468 0.000 2.889 498 C HA 0.873 5.333 4.460 0.001 0.000 0.307 498 C C -0.611 174.226 174.990 -0.254 0.000 1.251 498 C CA -0.825 58.059 59.018 -0.222 0.000 1.593 498 C CB 1.322 29.022 27.740 -0.067 0.000 2.104 498 C HN 0.904 nan 8.230 nan 0.000 0.476 499 S N 0.698 116.354 115.700 -0.074 0.000 2.556 499 S HA 0.752 5.222 4.470 0.001 0.000 0.271 499 S C -3.354 171.241 174.600 -0.007 0.000 1.135 499 S CA -1.034 57.134 58.200 -0.052 0.000 0.858 499 S CB 1.693 64.903 63.200 0.017 0.000 1.114 499 S HN 0.616 nan 8.310 nan 0.000 0.468 500 P HA 0.202 nan 4.420 nan 0.000 0.266 500 P C 0.186 177.488 177.300 0.003 0.000 1.195 500 P CA -0.091 63.010 63.100 0.002 0.000 0.768 500 P CB 0.722 32.419 31.700 -0.004 0.000 0.838 501 A N 2.948 125.767 122.820 -0.001 0.000 2.348 501 A HA 0.138 4.458 4.320 0.001 0.000 0.224 501 A C 0.606 178.183 177.584 -0.013 0.000 1.227 501 A CA 0.637 52.672 52.037 -0.004 0.000 0.885 501 A CB -0.063 18.934 19.000 -0.006 0.000 0.933 501 A HN 0.355 nan 8.150 nan 0.000 0.506 502 K N -0.478 119.911 120.400 -0.018 0.000 2.501 502 K HA 0.245 4.566 4.320 0.001 0.000 0.252 502 K C 0.647 177.237 176.600 -0.018 0.000 0.934 502 K CA 0.339 56.613 56.287 -0.023 0.000 0.797 502 K CB 1.778 34.255 32.500 -0.038 0.000 1.270 502 K HN 0.183 nan 8.250 nan 0.000 0.431 503 S N -0.234 115.457 115.700 -0.015 0.000 2.469 503 S HA -0.167 4.304 4.470 0.001 0.000 0.238 503 S C 1.559 176.151 174.600 -0.014 0.000 0.998 503 S CA 1.661 59.855 58.200 -0.012 0.000 0.957 503 S CB -0.245 62.949 63.200 -0.009 0.000 0.764 503 S HN 0.620 nan 8.310 nan 0.000 0.514 504 S N 1.470 117.159 115.700 -0.020 0.000 2.474 504 S HA 0.078 4.549 4.470 0.001 0.000 0.235 504 S C 1.511 176.100 174.600 -0.017 0.000 0.997 504 S CA 0.120 58.307 58.200 -0.021 0.000 0.949 504 S CB -0.284 62.897 63.200 -0.031 0.000 0.766 504 S HN 0.450 nan 8.310 nan 0.000 0.517 505 R N 0.289 120.779 120.500 -0.016 0.000 2.577 505 R HA 0.482 4.823 4.340 0.001 0.000 0.344 505 R C 1.785 178.081 176.300 -0.006 0.000 1.037 505 R CA 0.535 56.630 56.100 -0.008 0.000 1.102 505 R CB -0.538 29.757 30.300 -0.008 0.000 1.313 505 R HN 0.474 nan 8.270 nan 0.000 0.561 506 A N 1.327 124.142 122.820 -0.008 0.000 1.997 506 A HA -0.205 4.115 4.320 0.001 0.000 0.221 506 A C 2.257 179.835 177.584 -0.011 0.000 1.172 506 A CA 2.006 54.038 52.037 -0.009 0.000 0.645 506 A CB -0.260 18.735 19.000 -0.007 0.000 0.813 506 A HN 0.323 nan 8.150 nan 0.000 0.454 507 A N -0.695 122.121 122.820 -0.008 0.000 1.978 507 A HA -0.003 4.318 4.320 0.001 0.000 0.220 507 A C 2.163 179.738 177.584 -0.014 0.000 1.170 507 A CA 1.762 53.793 52.037 -0.009 0.000 0.636 507 A CB -0.764 18.234 19.000 -0.004 0.000 0.810 507 A HN 0.444 nan 8.150 nan 0.000 0.448 508 V N -0.663 119.245 119.914 -0.009 0.000 2.427 508 V HA 0.105 4.226 4.120 0.001 0.000 0.248 508 V C 1.936 178.001 176.094 -0.049 0.000 1.051 508 V CA 0.926 63.218 62.300 -0.014 0.000 1.048 508 V CB -2.005 29.828 31.823 0.016 0.000 0.666 508 V HN 1.054 nan 8.190 nan 0.000 0.456 509 G N 0.883 109.656 108.800 -0.045 0.000 2.622 509 G HA2 -0.294 3.666 3.960 0.001 0.000 0.272 509 G HA3 -0.294 3.666 3.960 0.001 0.000 0.272 509 G C -0.175 174.650 174.900 -0.124 0.000 1.308 509 G CA 0.050 45.112 45.100 -0.064 0.000 0.919 509 G HN 0.499 nan 8.290 nan 0.000 0.565 510 N N 1.656 120.262 118.700 -0.157 0.000 2.454 510 N HA 0.346 5.086 4.740 0.001 0.000 0.260 510 N C 0.205 175.435 175.510 -0.467 0.000 1.218 510 N CA 0.501 53.354 53.050 -0.329 0.000 0.904 510 N CB 0.948 39.275 38.487 -0.266 0.000 1.065 510 N HN 0.474 nan 8.380 nan 0.000 0.462 511 K N 1.811 121.797 120.400 -0.690 0.000 2.477 511 K HA 0.457 4.777 4.320 0.001 0.000 0.255 511 K C -0.522 175.462 176.600 -1.027 0.000 0.952 511 K CA -0.509 55.312 56.287 -0.777 0.000 0.826 511 K CB 2.368 34.379 32.500 -0.815 0.000 1.331 511 K HN 0.435 nan 8.250 nan 0.000 0.437 512 M N 2.132 121.234 119.600 -0.829 0.000 2.243 512 M HA 0.412 4.892 4.480 0.001 0.000 0.324 512 M C -1.253 174.712 176.300 -0.558 0.000 1.031 512 M CA -0.750 54.178 55.300 -0.621 0.000 0.949 512 M CB 0.952 33.374 32.600 -0.297 0.000 1.615 512 M HN 0.314 nan 8.290 nan 0.000 0.430 513 F N 3.067 122.949 119.950 -0.113 0.000 2.411 513 F HA 0.595 5.122 4.527 0.001 0.000 0.352 513 F C -0.127 175.643 175.800 -0.049 0.000 1.123 513 F CA -0.948 57.004 58.000 -0.080 0.000 1.044 513 F CB 1.069 40.019 39.000 -0.082 0.000 1.135 513 F HN 0.129 nan 8.300 nan 0.000 0.461 514 V N 3.559 123.562 119.914 0.149 0.000 2.715 514 V HA 0.681 4.801 4.120 0.001 0.000 0.310 514 V C -0.567 175.572 176.094 0.075 0.000 1.054 514 V CA -1.143 61.214 62.300 0.096 0.000 0.928 514 V CB 2.102 33.972 31.823 0.078 0.000 1.007 514 V HN 0.758 nan 8.190 nan 0.000 0.437 515 K N 1.986 122.436 120.400 0.083 0.000 2.527 515 K HA 0.929 5.249 4.320 0.001 0.000 0.260 515 K C -0.457 176.210 176.600 0.111 0.000 0.937 515 K CA -0.434 55.893 56.287 0.068 0.000 0.826 515 K CB 2.637 35.166 32.500 0.047 0.000 1.359 515 K HN 1.156 nan 8.250 nan 0.000 0.434 516 G N 0.316 109.180 108.800 0.107 0.000 2.323 516 G HA2 0.435 4.396 3.960 0.001 0.000 0.291 516 G HA3 0.435 4.396 3.960 0.001 0.000 0.291 516 G C -1.482 173.496 174.900 0.130 0.000 1.278 516 G CA -0.576 44.614 45.100 0.151 0.000 0.860 516 G HN 0.793 nan 8.290 nan 0.000 0.504 517 A N 0.699 123.609 122.820 0.150 0.000 2.566 517 A HA 0.512 4.833 4.320 0.001 0.000 0.245 517 A C -0.605 177.040 177.584 0.101 0.000 1.056 517 A CA 0.592 52.702 52.037 0.122 0.000 0.757 517 A CB -0.148 18.926 19.000 0.124 0.000 0.979 517 A HN 0.369 nan 8.150 nan 0.000 0.508 518 P HA -0.248 nan 4.420 nan 0.000 0.214 518 P C 1.496 178.841 177.300 0.075 0.000 1.169 518 P CA 1.715 64.871 63.100 0.093 0.000 0.908 518 P CB 0.153 31.902 31.700 0.081 0.000 0.791 519 E N -0.641 119.592 120.200 0.055 0.000 2.048 519 E HA -0.219 4.132 4.350 0.001 0.000 0.202 519 E C 2.219 178.842 176.600 0.038 0.000 1.021 519 E CA 1.887 58.309 56.400 0.036 0.000 0.825 519 E CB -1.128 28.590 29.700 0.030 0.000 0.756 519 E HN 0.164 nan 8.360 nan 0.000 0.454 520 G N 0.285 109.113 108.800 0.046 0.000 2.446 520 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 520 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 520 G C 1.679 176.612 174.900 0.054 0.000 1.168 520 G CA 1.109 46.234 45.100 0.041 0.000 0.771 520 G HN 0.269 nan 8.290 nan 0.000 0.551 521 V N 1.212 121.172 119.914 0.077 0.000 2.261 521 V HA -0.154 3.966 4.120 0.001 0.000 0.246 521 V C 2.807 178.968 176.094 0.112 0.000 1.047 521 V CA 1.655 64.015 62.300 0.099 0.000 1.015 521 V CB -0.454 31.442 31.823 0.122 0.000 0.642 521 V HN 0.393 nan 8.190 nan 0.000 0.446 522 I N 0.226 120.861 120.570 0.109 0.000 2.208 522 I HA -0.267 3.903 4.170 0.001 0.000 0.245 522 I C 2.243 178.380 176.117 0.033 0.000 1.097 522 I CA 1.663 63.009 61.300 0.076 0.000 1.363 522 I CB -0.547 37.451 38.000 -0.004 0.000 1.051 522 I HN 0.320 nan 8.210 nan 0.000 0.413 523 D N 0.780 121.193 120.400 0.022 0.000 2.218 523 D HA -0.134 4.507 4.640 0.001 0.000 0.204 523 D C 1.916 178.225 176.300 0.015 0.000 0.976 523 D CA 1.075 55.079 54.000 0.007 0.000 0.853 523 D CB -0.163 40.640 40.800 0.005 0.000 0.939 523 D HN 0.327 nan 8.370 nan 0.000 0.481 524 R N -0.524 119.999 120.500 0.037 0.000 2.356 524 R HA 0.181 4.522 4.340 0.001 0.000 0.234 524 R C -0.138 176.196 176.300 0.057 0.000 0.929 524 R CA -0.178 55.948 56.100 0.042 0.000 1.084 524 R CB 0.150 30.482 30.300 0.052 0.000 1.105 524 R HN 0.076 nan 8.270 nan 0.000 0.515 525 C N 0.677 120.012 119.300 0.059 0.000 2.358 525 C HA 0.324 4.784 4.460 0.001 0.000 0.342 525 C C 1.092 176.079 174.990 -0.006 0.000 1.234 525 C CA -0.790 58.276 59.018 0.080 0.000 1.969 525 C CB 1.171 29.000 27.740 0.148 0.000 2.346 525 C HN 0.466 nan 8.230 nan 0.000 0.525 526 N N 0.028 118.686 118.700 -0.070 0.000 2.181 526 N HA 0.190 4.930 4.740 0.001 0.000 0.207 526 N C -0.837 174.337 175.510 -0.560 0.000 1.182 526 N CA 0.368 53.215 53.050 -0.340 0.000 0.893 526 N CB 0.470 38.656 38.487 -0.501 0.000 1.032 526 N HN 0.715 nan 8.380 nan 0.000 0.513 527 Y N -0.650 119.687 120.300 0.063 0.000 2.638 527 Y HA 0.582 5.133 4.550 0.001 0.000 0.339 527 Y C -0.083 175.885 175.900 0.113 0.000 1.084 527 Y CA -1.451 56.691 58.100 0.070 0.000 1.068 527 Y CB 1.575 40.072 38.460 0.061 0.000 1.294 527 Y HN -0.255 nan 8.280 nan 0.000 0.480 528 V N -0.782 119.313 119.914 0.301 0.000 2.841 528 V HA 0.735 4.855 4.120 0.001 0.000 0.310 528 V C -0.980 175.246 176.094 0.220 0.000 1.090 528 V CA -1.191 61.280 62.300 0.284 0.000 0.930 528 V CB 1.877 33.841 31.823 0.234 0.000 1.014 528 V HN 0.805 nan 8.190 nan 0.000 0.425 529 R N 2.538 123.156 120.500 0.197 0.000 2.459 529 R HA 0.789 5.130 4.340 0.001 0.000 0.281 529 R C -1.176 175.205 176.300 0.134 0.000 1.050 529 R CA -0.251 55.925 56.100 0.126 0.000 1.055 529 R CB 1.678 32.024 30.300 0.076 0.000 1.045 529 R HN 0.787 nan 8.270 nan 0.000 0.495 530 V N 5.457 125.435 119.914 0.107 0.000 2.443 530 V HA 0.431 4.551 4.120 0.001 0.000 0.272 530 V C 0.752 176.904 176.094 0.096 0.000 1.002 530 V CA 0.253 62.619 62.300 0.110 0.000 0.840 530 V CB 0.492 32.374 31.823 0.098 0.000 1.042 530 V HN 1.143 nan 8.190 nan 0.000 0.446 531 G N 4.906 113.770 108.800 0.106 0.000 2.609 531 G HA2 -0.327 3.633 3.960 0.001 0.000 0.288 531 G HA3 -0.327 3.633 3.960 0.001 0.000 0.288 531 G C 0.895 175.833 174.900 0.063 0.000 1.211 531 G CA 1.067 46.222 45.100 0.092 0.000 0.963 531 G HN 1.326 nan 8.290 nan 0.000 0.541 532 T N -1.054 113.529 114.554 0.048 0.000 3.044 532 T HA 0.502 4.852 4.350 0.001 0.000 0.260 532 T C 1.152 175.869 174.700 0.029 0.000 1.019 532 T CA 1.498 63.618 62.100 0.034 0.000 0.921 532 T CB 0.112 68.996 68.868 0.027 0.000 1.053 532 T HN 1.699 nan 8.240 nan 0.000 0.533 533 T N 0.067 114.644 114.554 0.038 0.000 2.849 533 T HA 0.607 4.958 4.350 0.001 0.000 0.276 533 T C -0.320 174.403 174.700 0.038 0.000 0.971 533 T CA -0.959 61.161 62.100 0.033 0.000 0.949 533 T CB 1.790 70.683 68.868 0.042 0.000 1.093 533 T HN 0.394 nan 8.240 nan 0.000 0.545 534 R N 0.255 120.775 120.500 0.033 0.000 2.535 534 R HA 0.571 4.911 4.340 0.001 0.000 0.274 534 R C -1.610 174.742 176.300 0.088 0.000 1.090 534 R CA -0.725 55.405 56.100 0.049 0.000 0.930 534 R CB 2.001 32.279 30.300 -0.037 0.000 1.223 534 R HN 0.834 nan 8.270 nan 0.000 0.441 535 V N 0.596 120.600 119.914 0.151 0.000 3.074 535 V HA 0.762 4.882 4.120 0.001 0.000 0.314 535 V C -2.645 173.599 176.094 0.249 0.000 1.117 535 V CA -2.380 60.021 62.300 0.168 0.000 1.014 535 V CB 1.962 33.851 31.823 0.109 0.000 1.057 535 V HN 0.680 nan 8.190 nan 0.000 0.438 536 P HA 0.247 nan 4.420 nan 0.000 0.272 536 P C -0.687 176.619 177.300 0.010 0.000 1.230 536 P CA -0.352 62.792 63.100 0.074 0.000 0.788 536 P CB 0.717 32.422 31.700 0.008 0.000 0.949 537 M N 2.803 122.359 119.600 -0.072 0.000 2.146 537 M HA 0.240 4.720 4.480 0.001 0.000 0.352 537 M C -0.126 176.135 176.300 -0.065 0.000 1.343 537 M CA 0.473 55.739 55.300 -0.057 0.000 1.115 537 M CB -0.410 32.144 32.600 -0.076 0.000 1.657 537 M HN 0.451 nan 8.290 nan 0.000 0.471 538 T N 1.498 116.020 114.554 -0.052 0.000 2.940 538 T HA 0.715 5.066 4.350 0.001 0.000 0.288 538 T C 1.012 175.677 174.700 -0.058 0.000 1.045 538 T CA -0.504 61.567 62.100 -0.048 0.000 1.018 538 T CB 1.216 70.066 68.868 -0.030 0.000 1.151 538 T HN 0.669 nan 8.240 nan 0.000 0.529 539 G N 0.855 109.626 108.800 -0.049 0.000 2.491 539 G HA2 -0.075 3.885 3.960 0.001 0.000 0.218 539 G HA3 -0.075 3.885 3.960 0.001 0.000 0.218 539 G C -0.949 173.913 174.900 -0.063 0.000 1.180 539 G CA 0.869 45.938 45.100 -0.053 0.000 0.774 539 G HN 0.643 nan 8.290 nan 0.000 0.562 540 P HA -0.052 nan 4.420 nan 0.000 0.215 540 P C 2.180 179.420 177.300 -0.100 0.000 1.157 540 P CA 0.952 64.013 63.100 -0.066 0.000 0.868 540 P CB -0.125 31.549 31.700 -0.043 0.000 0.788 541 V N 0.223 120.077 119.914 -0.100 0.000 2.343 541 V HA -0.267 3.853 4.120 0.001 0.000 0.247 541 V C 2.498 178.492 176.094 -0.167 0.000 1.051 541 V CA 1.934 64.156 62.300 -0.131 0.000 1.036 541 V CB -1.003 30.762 31.823 -0.096 0.000 0.654 541 V HN 0.141 nan 8.190 nan 0.000 0.451 542 K N -0.101 120.211 120.400 -0.146 0.000 2.026 542 K HA -0.210 4.110 4.320 0.001 0.000 0.208 542 K C 2.177 178.684 176.600 -0.156 0.000 1.048 542 K CA 1.632 57.820 56.287 -0.165 0.000 0.929 542 K CB -0.114 32.315 32.500 -0.120 0.000 0.713 542 K HN 0.356 nan 8.250 nan 0.000 0.439 543 E N 0.986 121.113 120.200 -0.123 0.000 2.153 543 E HA -0.189 4.162 4.350 0.001 0.000 0.194 543 E C 1.846 178.362 176.600 -0.140 0.000 0.988 543 E CA 0.842 57.175 56.400 -0.111 0.000 0.811 543 E CB -0.109 29.540 29.700 -0.085 0.000 0.746 543 E HN 0.189 nan 8.360 nan 0.000 0.466 544 K N 0.870 121.169 120.400 -0.169 0.000 2.026 544 K HA -0.076 4.244 4.320 0.001 0.000 0.208 544 K C 2.004 178.447 176.600 -0.262 0.000 1.048 544 K CA 0.580 56.738 56.287 -0.215 0.000 0.929 544 K CB -0.282 32.072 32.500 -0.243 0.000 0.713 544 K HN 0.084 nan 8.250 nan 0.000 0.439 545 I N 1.581 121.999 120.570 -0.254 0.000 2.127 545 I HA -0.282 3.888 4.170 0.001 0.000 0.241 545 I C 2.460 178.490 176.117 -0.145 0.000 1.075 545 I CA 1.179 62.346 61.300 -0.222 0.000 1.334 545 I CB -1.183 36.587 38.000 -0.382 0.000 1.040 545 I HN 0.112 nan 8.210 nan 0.000 0.405 546 L N 0.715 121.850 121.223 -0.146 0.000 2.093 546 L HA -0.193 4.147 4.340 0.001 0.000 0.208 546 L C 2.801 179.611 176.870 -0.100 0.000 1.085 546 L CA 1.569 56.351 54.840 -0.097 0.000 0.755 546 L CB -0.660 41.349 42.059 -0.083 0.000 0.904 546 L HN 0.347 nan 8.230 nan 0.000 0.435 547 S N -0.638 114.985 115.700 -0.128 0.000 2.382 547 S HA -0.132 4.339 4.470 0.001 0.000 0.228 547 S C 1.886 176.395 174.600 -0.152 0.000 1.027 547 S CA 1.229 59.358 58.200 -0.118 0.000 0.991 547 S CB -0.679 62.449 63.200 -0.120 0.000 0.823 547 S HN 0.172 nan 8.310 nan 0.000 0.469 548 V N 1.776 121.535 119.914 -0.257 0.000 2.453 548 V HA 0.009 4.129 4.120 0.001 0.000 0.247 548 V C 2.445 178.293 176.094 -0.410 0.000 1.048 548 V CA 1.468 63.527 62.300 -0.402 0.000 1.049 548 V CB -0.682 30.712 31.823 -0.715 0.000 0.672 548 V HN 0.479 nan 8.190 nan 0.000 0.457 549 I N 0.023 120.459 120.570 -0.223 0.000 2.286 549 I HA -0.266 3.905 4.170 0.001 0.000 0.248 549 I C 2.586 178.709 176.117 0.011 0.000 1.115 549 I CA 1.669 62.918 61.300 -0.084 0.000 1.392 549 I CB -0.336 37.666 38.000 0.004 0.000 1.065 549 I HN 0.278 nan 8.210 nan 0.000 0.418 550 K N 1.187 121.580 120.400 -0.011 0.000 2.057 550 K HA -0.205 4.115 4.320 0.001 0.000 0.207 550 K C 1.882 178.525 176.600 0.072 0.000 1.049 550 K CA 1.564 57.867 56.287 0.028 0.000 0.931 550 K CB 0.023 32.523 32.500 0.001 0.000 0.714 550 K HN 0.376 nan 8.250 nan 0.000 0.440 551 E N -0.472 119.772 120.200 0.073 0.000 2.072 551 E HA -0.194 4.157 4.350 0.001 0.000 0.191 551 E C 1.840 178.621 176.600 0.303 0.000 0.985 551 E CA 1.161 57.653 56.400 0.154 0.000 0.801 551 E CB -0.187 29.607 29.700 0.157 0.000 0.750 551 E HN 0.413 nan 8.360 nan 0.000 0.452 552 W N 0.694 122.022 121.300 0.047 0.000 2.374 552 W HA -0.010 4.650 4.660 0.001 0.000 0.288 552 W C 2.273 178.817 176.519 0.042 0.000 1.218 552 W CA 1.196 58.573 57.345 0.054 0.000 1.245 552 W CB -0.900 28.615 29.460 0.092 0.000 1.126 552 W HN 0.083 nan 8.180 nan 0.000 0.545 553 G N -1.411 107.551 108.800 0.269 0.000 3.088 553 G HA2 0.123 4.083 3.960 0.001 0.000 0.212 553 G HA3 0.123 4.083 3.960 0.001 0.000 0.212 553 G C 0.320 175.282 174.900 0.104 0.000 1.173 553 G CA 1.100 46.297 45.100 0.162 0.000 0.779 553 G HN 0.189 nan 8.290 nan 0.000 0.540 554 T N -3.478 111.136 114.554 0.099 0.000 4.048 554 T HA 0.393 4.743 4.350 0.001 0.000 0.321 554 T C 0.842 175.570 174.700 0.047 0.000 0.890 554 T CA 0.146 62.283 62.100 0.060 0.000 0.950 554 T CB 0.324 69.220 68.868 0.047 0.000 1.150 554 T HN 0.294 nan 8.240 nan 0.000 0.557 555 G N 1.308 110.142 108.800 0.055 0.000 3.414 555 G HA2 0.399 4.360 3.960 0.001 0.000 0.189 555 G HA3 0.399 4.360 3.960 0.001 0.000 0.189 555 G C 0.751 175.664 174.900 0.021 0.000 1.329 555 G CA -0.554 44.569 45.100 0.037 0.000 0.851 555 G HN 0.073 nan 8.290 nan 0.000 0.671 556 R N 0.629 121.136 120.500 0.012 0.000 2.189 556 R HA 0.033 4.373 4.340 0.001 0.000 0.218 556 R C 1.698 177.986 176.300 -0.019 0.000 1.074 556 R CA 0.844 56.942 56.100 -0.004 0.000 0.991 556 R CB -0.354 29.939 30.300 -0.012 0.000 0.883 556 R HN 0.440 nan 8.270 nan 0.000 0.457 557 D N 0.197 120.587 120.400 -0.018 0.000 2.113 557 D HA -0.055 4.586 4.640 0.001 0.000 0.206 557 D C 0.169 176.461 176.300 -0.013 0.000 0.979 557 D CA 1.139 55.110 54.000 -0.048 0.000 0.862 557 D CB -0.196 40.554 40.800 -0.084 0.000 1.013 557 D HN -0.005 nan 8.370 nan 0.000 0.455 558 T N 0.909 115.482 114.554 0.032 0.000 3.803 558 T HA -0.184 4.167 4.350 0.001 0.000 0.376 558 T C 0.241 174.963 174.700 0.038 0.000 0.761 558 T CA 0.112 62.238 62.100 0.043 0.000 1.962 558 T CB -1.744 67.139 68.868 0.024 0.000 1.780 558 T HN 0.102 nan 8.240 nan 0.000 0.771 559 L N -0.225 121.035 121.223 0.061 0.000 2.416 559 L HA 0.556 4.897 4.340 0.001 0.000 0.262 559 L C 1.057 177.981 176.870 0.089 0.000 1.093 559 L CA -1.048 53.824 54.840 0.054 0.000 0.801 559 L CB 0.789 42.873 42.059 0.040 0.000 1.191 559 L HN 0.153 nan 8.230 nan 0.000 0.459 560 R N 0.649 121.192 120.500 0.071 0.000 2.210 560 R HA 0.355 4.695 4.340 0.001 0.000 0.338 560 R C -1.339 175.022 176.300 0.102 0.000 1.062 560 R CA -0.381 55.764 56.100 0.075 0.000 0.902 560 R CB 0.367 30.698 30.300 0.051 0.000 1.050 560 R HN 0.625 nan 8.270 nan 0.000 0.461 561 C N 5.138 124.512 119.300 0.124 0.000 2.358 561 C HA 0.549 5.010 4.460 0.001 0.000 0.342 561 C C -0.814 174.236 174.990 0.099 0.000 1.234 561 C CA -0.837 58.267 59.018 0.143 0.000 1.969 561 C CB 0.779 28.628 27.740 0.181 0.000 2.346 561 C HN 0.602 nan 8.230 nan 0.000 0.525 562 L N 2.724 123.993 121.223 0.078 0.000 2.385 562 L HA 0.697 5.037 4.340 0.001 0.000 0.273 562 L C 0.231 177.114 176.870 0.022 0.000 0.990 562 L CA -0.234 54.639 54.840 0.054 0.000 0.821 562 L CB 1.439 43.520 42.059 0.037 0.000 1.279 562 L HN 0.854 nan 8.230 nan 0.000 0.412 563 A N 5.103 127.951 122.820 0.045 0.000 2.309 563 A HA 0.805 5.126 4.320 0.001 0.000 0.298 563 A C -0.881 176.679 177.584 -0.041 0.000 1.165 563 A CA -0.409 51.653 52.037 0.040 0.000 0.821 563 A CB 0.369 19.478 19.000 0.181 0.000 1.102 563 A HN 0.646 nan 8.150 nan 0.000 0.500 564 L N 1.592 122.693 121.223 -0.203 0.000 2.329 564 L HA 0.805 5.145 4.340 0.001 0.000 0.279 564 L C 0.293 177.007 176.870 -0.261 0.000 1.014 564 L CA -0.368 54.353 54.840 -0.198 0.000 0.814 564 L CB 1.772 43.693 42.059 -0.230 0.000 1.257 564 L HN 0.866 nan 8.230 nan 0.000 0.424 565 A N 1.455 124.222 122.820 -0.089 0.000 2.588 565 A HA 0.874 5.195 4.320 0.001 0.000 0.290 565 A C -0.805 176.820 177.584 0.069 0.000 1.136 565 A CA -0.452 51.563 52.037 -0.036 0.000 0.681 565 A CB 2.287 21.310 19.000 0.038 0.000 1.282 565 A HN 0.607 nan 8.150 nan 0.000 0.421 566 T N -0.627 113.974 114.554 0.078 0.000 2.993 566 T HA 0.576 4.926 4.350 0.001 0.000 0.312 566 T C -0.923 173.778 174.700 0.002 0.000 1.115 566 T CA -0.597 61.547 62.100 0.073 0.000 1.027 566 T CB 1.356 70.336 68.868 0.187 0.000 1.116 566 T HN 0.757 nan 8.240 nan 0.000 0.464 567 R N 2.727 123.185 120.500 -0.070 0.000 2.216 567 R HA 0.192 4.533 4.340 0.001 0.000 0.332 567 R C 0.033 176.262 176.300 -0.118 0.000 1.056 567 R CA -0.382 55.688 56.100 -0.050 0.000 0.901 567 R CB 0.540 30.816 30.300 -0.040 0.000 1.039 567 R HN 0.720 nan 8.270 nan 0.000 0.456 568 D N 1.537 121.890 120.400 -0.078 0.000 2.178 568 D HA -0.057 4.583 4.640 0.001 0.000 0.202 568 D C -0.042 176.189 176.300 -0.115 0.000 0.974 568 D CA 1.504 55.437 54.000 -0.112 0.000 0.841 568 D CB 0.472 41.199 40.800 -0.121 0.000 0.953 568 D HN 0.414 nan 8.370 nan 0.000 0.478 569 T N 3.155 117.664 114.554 -0.076 0.000 3.327 569 T HA 0.253 4.603 4.350 0.001 0.000 0.373 569 T C -2.441 172.241 174.700 -0.030 0.000 1.589 569 T CA -1.242 60.826 62.100 -0.054 0.000 1.497 569 T CB 2.235 71.090 68.868 -0.022 0.000 1.032 569 T HN 0.017 nan 8.240 nan 0.000 0.640 570 P HA 0.382 nan 4.420 nan 0.000 0.274 570 P C -2.695 174.643 177.300 0.064 0.000 1.246 570 P CA -1.408 61.686 63.100 -0.009 0.000 0.795 570 P CB 0.022 31.656 31.700 -0.111 0.000 1.006 571 P HA 0.207 nan 4.420 nan 0.000 0.274 571 P C -0.336 177.018 177.300 0.089 0.000 1.260 571 P CA -0.098 63.038 63.100 0.060 0.000 0.793 571 P CB 0.225 31.918 31.700 -0.013 0.000 1.048 572 K N 0.711 121.132 120.400 0.035 0.000 2.326 572 K HA 0.115 4.435 4.320 0.001 0.000 0.275 572 K C 1.516 178.083 176.600 -0.055 0.000 1.018 572 K CA 0.328 56.630 56.287 0.025 0.000 0.962 572 K CB 0.138 32.638 32.500 -0.000 0.000 0.953 572 K HN 0.231 nan 8.250 nan 0.000 0.475 573 R N 1.716 122.159 120.500 -0.094 0.000 2.133 573 R HA -0.224 4.116 4.340 0.001 0.000 0.247 573 R C 1.002 177.155 176.300 -0.245 0.000 1.151 573 R CA 1.868 57.809 56.100 -0.265 0.000 0.971 573 R CB -0.117 30.034 30.300 -0.249 0.000 0.866 573 R HN 0.601 nan 8.270 nan 0.000 0.447 574 E N 0.504 120.615 120.200 -0.148 0.000 2.418 574 E HA -0.104 4.246 4.350 0.001 0.000 0.197 574 E C 0.772 177.310 176.600 -0.104 0.000 1.026 574 E CA 0.736 57.062 56.400 -0.123 0.000 0.862 574 E CB 0.116 29.772 29.700 -0.074 0.000 0.799 574 E HN 0.461 nan 8.360 nan 0.000 0.518 575 E N 0.078 120.213 120.200 -0.109 0.000 2.444 575 E HA 0.151 4.502 4.350 0.001 0.000 0.191 575 E C -0.203 176.317 176.600 -0.133 0.000 1.041 575 E CA 0.005 56.361 56.400 -0.074 0.000 0.883 575 E CB 0.157 29.836 29.700 -0.036 0.000 1.024 575 E HN 0.251 nan 8.360 nan 0.000 0.470 576 M N 1.516 120.969 119.600 -0.244 0.000 2.181 576 M HA 0.247 4.727 4.480 0.001 0.000 0.323 576 M C -0.622 175.623 176.300 -0.091 0.000 1.004 576 M CA -0.728 54.351 55.300 -0.369 0.000 0.941 576 M CB 2.496 34.711 32.600 -0.641 0.000 1.579 576 M HN -0.242 nan 8.290 nan 0.000 0.427 577 V N 5.477 125.497 119.914 0.176 0.000 2.326 577 V HA 0.060 4.181 4.120 0.001 0.000 0.249 577 V C 1.234 177.498 176.094 0.284 0.000 1.114 577 V CA 0.054 62.459 62.300 0.174 0.000 1.028 577 V CB -0.386 31.547 31.823 0.184 0.000 1.170 577 V HN 0.877 nan 8.190 nan 0.000 0.494 578 L N 2.900 124.206 121.223 0.138 0.000 2.456 578 L HA -0.056 4.285 4.340 0.001 0.000 0.224 578 L C 1.602 178.647 176.870 0.293 0.000 1.148 578 L CA 0.957 55.925 54.840 0.213 0.000 0.825 578 L CB -0.332 41.680 42.059 -0.077 0.000 0.937 578 L HN 0.783 nan 8.230 nan 0.000 0.450 579 D N -2.874 117.623 120.400 0.162 0.000 2.368 579 D HA -0.021 4.619 4.640 0.001 0.000 0.218 579 D C 0.220 176.537 176.300 0.027 0.000 1.112 579 D CA -0.170 53.889 54.000 0.098 0.000 0.834 579 D CB 0.120 40.948 40.800 0.046 0.000 0.953 579 D HN -0.010 nan 8.370 nan 0.000 0.505 580 D N 0.290 120.691 120.400 0.000 0.000 2.378 580 D HA 0.079 4.720 4.640 0.001 0.000 0.265 580 D C 1.172 177.156 176.300 -0.526 0.000 1.229 580 D CA -0.374 53.532 54.000 -0.157 0.000 0.914 580 D CB 0.981 41.742 40.800 -0.066 0.000 1.140 580 D HN -0.027 nan 8.370 nan 0.000 0.516 581 S N 1.243 116.454 115.700 -0.815 0.000 2.420 581 S HA -0.267 4.203 4.470 0.001 0.000 0.237 581 S C 1.877 175.933 174.600 -0.907 0.000 1.023 581 S CA 1.436 58.724 58.200 -1.520 0.000 0.991 581 S CB -0.539 62.232 63.200 -0.716 0.000 0.792 581 S HN 0.395 nan 8.310 nan 0.000 0.488 582 S N 1.676 117.094 115.700 -0.470 0.000 2.500 582 S HA 0.032 4.502 4.470 0.001 0.000 0.239 582 S C 1.724 176.173 174.600 -0.252 0.000 0.989 582 S CA 0.152 58.183 58.200 -0.282 0.000 0.951 582 S CB -0.376 62.714 63.200 -0.184 0.000 0.759 582 S HN 0.505 nan 8.310 nan 0.000 0.523 583 R N 0.276 120.599 120.500 -0.296 0.000 2.223 583 R HA 0.307 4.648 4.340 0.001 0.000 0.198 583 R C 1.684 177.793 176.300 -0.317 0.000 0.984 583 R CA 0.287 56.218 56.100 -0.281 0.000 1.018 583 R CB -0.917 29.282 30.300 -0.169 0.000 0.945 583 R HN 0.591 nan 8.270 nan 0.000 0.479 584 F N 1.058 120.878 119.950 -0.217 0.000 2.192 584 F HA -0.223 4.304 4.527 0.001 0.000 0.301 584 F C 2.587 178.324 175.800 -0.104 0.000 1.079 584 F CA 0.617 58.571 58.000 -0.078 0.000 1.303 584 F CB -0.323 38.708 39.000 0.051 0.000 1.024 584 F HN 0.011 nan 8.300 nan 0.000 0.494 585 M N 0.813 120.439 119.600 0.044 0.000 2.108 585 M HA -0.263 4.217 4.480 0.001 0.000 0.261 585 M C 2.320 178.612 176.300 -0.014 0.000 1.066 585 M CA 1.940 57.247 55.300 0.012 0.000 1.107 585 M CB -0.355 32.228 32.600 -0.029 0.000 1.356 585 M HN 0.179 nan 8.290 nan 0.000 0.406 586 E N -0.582 119.547 120.200 -0.118 0.000 2.110 586 E HA -0.235 4.115 4.350 0.001 0.000 0.193 586 E C 1.487 178.101 176.600 0.024 0.000 0.988 586 E CA 1.461 57.800 56.400 -0.100 0.000 0.804 586 E CB -0.201 29.380 29.700 -0.200 0.000 0.745 586 E HN 0.619 nan 8.360 nan 0.000 0.458 587 Y N 0.949 121.314 120.300 0.109 0.000 2.373 587 Y HA 0.068 4.619 4.550 0.001 0.000 0.293 587 Y C 0.871 176.815 175.900 0.073 0.000 1.129 587 Y CA 0.631 58.789 58.100 0.097 0.000 1.226 587 Y CB 0.005 38.532 38.460 0.111 0.000 1.000 587 Y HN 0.067 nan 8.280 nan 0.000 0.549 588 E N 0.902 121.220 120.200 0.196 0.000 2.364 588 E HA 0.142 4.493 4.350 0.001 0.000 0.270 588 E C 0.094 176.754 176.600 0.100 0.000 1.398 588 E CA -0.147 56.331 56.400 0.130 0.000 1.721 588 E CB -0.097 29.671 29.700 0.112 0.000 1.525 588 E HN 0.260 nan 8.360 nan 0.000 0.446 589 T N -3.093 111.524 114.554 0.105 0.000 2.910 589 T HA 0.270 4.621 4.350 0.001 0.000 0.287 589 T C 0.243 174.999 174.700 0.094 0.000 1.050 589 T CA -0.848 61.302 62.100 0.084 0.000 1.011 589 T CB 1.425 70.335 68.868 0.070 0.000 1.195 589 T HN 0.025 nan 8.240 nan 0.000 0.540 590 D N -0.230 120.222 120.400 0.085 0.000 2.708 590 D HA -0.136 4.504 4.640 0.001 0.000 0.236 590 D C -0.373 176.031 176.300 0.172 0.000 1.146 590 D CA 0.459 54.528 54.000 0.115 0.000 0.662 590 D CB -1.576 39.302 40.800 0.131 0.000 1.059 590 D HN 0.626 nan 8.370 nan 0.000 0.428 591 L N -0.684 120.626 121.223 0.145 0.000 2.468 591 L HA 0.450 4.791 4.340 0.001 0.000 0.254 591 L C 1.109 178.120 176.870 0.234 0.000 1.171 591 L CA -0.349 54.586 54.840 0.158 0.000 0.809 591 L CB 1.034 43.167 42.059 0.123 0.000 1.155 591 L HN -0.055 nan 8.230 nan 0.000 0.473 592 T N 1.134 115.810 114.554 0.203 0.000 2.791 592 T HA 0.287 4.637 4.350 0.001 0.000 0.288 592 T C -0.513 174.301 174.700 0.190 0.000 0.999 592 T CA -0.309 61.932 62.100 0.235 0.000 0.952 592 T CB 0.487 69.444 68.868 0.149 0.000 0.938 592 T HN 0.245 nan 8.240 nan 0.000 0.444 593 F N 4.430 124.437 119.950 0.095 0.000 2.538 593 F HA 0.273 4.801 4.527 0.001 0.000 0.371 593 F C 0.776 176.608 175.800 0.054 0.000 1.087 593 F CA 0.158 58.194 58.000 0.060 0.000 1.250 593 F CB 0.539 39.570 39.000 0.051 0.000 1.110 593 F HN 0.345 nan 8.300 nan 0.000 0.570 594 V N 4.746 124.188 119.914 -0.785 0.000 2.743 594 V HA 0.482 4.602 4.120 0.001 0.000 0.237 594 V C 1.067 176.707 176.094 -0.756 0.000 1.113 594 V CA 0.781 62.767 62.300 -0.524 0.000 1.141 594 V CB -0.091 31.552 31.823 -0.301 0.000 0.873 594 V HN 1.020 nan 8.190 nan 0.000 0.486 595 G N -0.902 107.209 108.800 -1.148 0.000 2.489 595 G HA2 0.536 4.497 3.960 0.001 0.000 0.305 595 G HA3 0.536 4.497 3.960 0.001 0.000 0.305 595 G C -2.217 172.264 174.900 -0.699 0.000 1.311 595 G CA -0.166 44.452 45.100 -0.803 0.000 0.813 595 G HN -0.005 nan 8.290 nan 0.000 0.480 596 V N 0.010 119.519 119.914 -0.676 0.000 2.841 596 V HA 0.721 4.841 4.120 0.001 0.000 0.310 596 V C -0.163 175.816 176.094 -0.191 0.000 1.090 596 V CA -0.631 61.388 62.300 -0.469 0.000 0.930 596 V CB 1.730 33.118 31.823 -0.725 0.000 1.014 596 V HN 1.334 nan 8.190 nan 0.000 0.425 597 V N 0.974 120.874 119.914 -0.023 0.000 2.628 597 V HA 1.055 5.175 4.120 0.001 0.000 0.306 597 V C 0.157 176.353 176.094 0.170 0.000 1.045 597 V CA -0.455 61.895 62.300 0.084 0.000 0.905 597 V CB 1.698 33.528 31.823 0.011 0.000 0.997 597 V HN 1.026 nan 8.190 nan 0.000 0.436 598 G N 5.038 113.952 108.800 0.190 0.000 2.544 598 G HA2 0.712 4.672 3.960 0.001 0.000 0.313 598 G HA3 0.712 4.672 3.960 0.001 0.000 0.313 598 G C -0.769 174.146 174.900 0.026 0.000 1.316 598 G CA -0.842 44.349 45.100 0.152 0.000 0.944 598 G HN 1.220 nan 8.290 nan 0.000 0.489 599 M N 1.951 121.568 119.600 0.030 0.000 2.619 599 M HA 0.918 5.398 4.480 0.001 0.000 0.297 599 M C -1.125 175.172 176.300 -0.004 0.000 1.229 599 M CA -1.080 54.221 55.300 0.001 0.000 0.860 599 M CB 2.670 35.280 32.600 0.017 0.000 1.741 599 M HN 0.596 nan 8.290 nan 0.000 0.462 600 L N -0.805 120.405 121.223 -0.021 0.000 2.720 600 L HA 0.700 5.040 4.340 0.001 0.000 0.261 600 L C -1.917 174.930 176.870 -0.038 0.000 1.046 600 L CA -0.860 53.966 54.840 -0.024 0.000 0.886 600 L CB 2.197 44.234 42.059 -0.036 0.000 1.493 600 L HN 0.800 nan 8.230 nan 0.000 0.407 601 D N 3.110 123.488 120.400 -0.037 0.000 2.441 601 D HA 0.407 5.047 4.640 0.001 0.000 0.221 601 D C -2.355 173.907 176.300 -0.063 0.000 1.156 601 D CA -1.779 52.190 54.000 -0.052 0.000 0.896 601 D CB 1.009 41.788 40.800 -0.035 0.000 1.028 601 D HN 0.437 nan 8.370 nan 0.000 0.509 602 P HA 0.200 nan 4.420 nan 0.000 0.271 602 P C -2.638 174.612 177.300 -0.083 0.000 1.216 602 P CA -1.279 61.773 63.100 -0.080 0.000 0.776 602 P CB 0.607 32.256 31.700 -0.085 0.000 0.881 603 P HA 0.175 nan 4.420 nan 0.000 0.272 603 P C 0.018 177.264 177.300 -0.091 0.000 1.223 603 P CA -0.060 62.979 63.100 -0.101 0.000 0.784 603 P CB 0.798 32.431 31.700 -0.112 0.000 0.923 604 R N 1.420 121.862 120.500 -0.097 0.000 2.594 604 R HA 0.045 4.386 4.340 0.001 0.000 0.272 604 R C 2.049 178.312 176.300 -0.063 0.000 1.074 604 R CA -0.306 55.754 56.100 -0.066 0.000 1.105 604 R CB 0.383 30.657 30.300 -0.044 0.000 1.008 604 R HN 0.525 nan 8.270 nan 0.000 0.472 605 K N 2.049 122.426 120.400 -0.038 0.000 2.020 605 K HA -0.218 4.103 4.320 0.001 0.000 0.212 605 K C 1.017 177.603 176.600 -0.023 0.000 1.050 605 K CA 1.775 58.044 56.287 -0.029 0.000 0.929 605 K CB -0.103 32.388 32.500 -0.015 0.000 0.714 605 K HN 0.617 nan 8.250 nan 0.000 0.443 606 E N 1.808 122.007 120.200 -0.002 0.000 2.494 606 E HA -0.023 4.328 4.350 0.001 0.000 0.193 606 E C 1.778 178.388 176.600 0.017 0.000 1.074 606 E CA 0.340 56.752 56.400 0.021 0.000 0.867 606 E CB -0.108 29.624 29.700 0.055 0.000 0.924 606 E HN 0.256 nan 8.360 nan 0.000 0.502 607 V N 1.348 121.223 119.914 -0.066 0.000 2.323 607 V HA -0.227 3.893 4.120 0.001 0.000 0.244 607 V C 2.647 178.656 176.094 -0.142 0.000 1.041 607 V CA 1.916 64.097 62.300 -0.199 0.000 1.025 607 V CB -0.611 30.993 31.823 -0.364 0.000 0.656 607 V HN 0.251 nan 8.190 nan 0.000 0.451 608 M N 0.489 120.027 119.600 -0.103 0.000 2.073 608 M HA -0.172 4.308 4.480 0.001 0.000 0.258 608 M C 2.111 178.391 176.300 -0.032 0.000 1.070 608 M CA 2.489 57.745 55.300 -0.073 0.000 1.103 608 M CB -0.685 31.881 32.600 -0.057 0.000 1.321 608 M HN 0.459 nan 8.290 nan 0.000 0.405 609 G N -1.041 107.753 108.800 -0.011 0.000 2.418 609 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 609 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 609 G C 1.430 176.351 174.900 0.036 0.000 1.158 609 G CA 1.108 46.215 45.100 0.011 0.000 0.771 609 G HN 0.518 nan 8.290 nan 0.000 0.545 610 S N 0.546 116.288 115.700 0.071 0.000 2.370 610 S HA -0.102 4.369 4.470 0.001 0.000 0.226 610 S C 2.303 176.982 174.600 0.132 0.000 1.033 610 S CA 0.944 59.233 58.200 0.147 0.000 1.011 610 S CB -0.175 63.240 63.200 0.358 0.000 0.852 610 S HN 0.265 nan 8.310 nan 0.000 0.457 611 I N 1.612 122.228 120.570 0.076 0.000 2.163 611 I HA -0.183 3.988 4.170 0.001 0.000 0.243 611 I C 2.671 178.806 176.117 0.031 0.000 1.085 611 I CA 1.492 62.819 61.300 0.046 0.000 1.347 611 I CB -1.445 36.535 38.000 -0.034 0.000 1.044 611 I HN 0.323 nan 8.210 nan 0.000 0.408 612 Q N 1.350 121.160 119.800 0.017 0.000 2.084 612 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 612 Q C 2.239 178.251 176.000 0.020 0.000 0.978 612 Q CA 1.662 57.473 55.803 0.012 0.000 0.844 612 Q CB -0.470 28.272 28.738 0.007 0.000 0.898 612 Q HN 0.515 nan 8.270 nan 0.000 0.426 613 L N -0.784 120.456 121.223 0.028 0.000 2.083 613 L HA -0.234 4.107 4.340 0.001 0.000 0.209 613 L C 2.530 179.415 176.870 0.024 0.000 1.083 613 L CA 0.976 55.831 54.840 0.025 0.000 0.752 613 L CB -0.584 41.493 42.059 0.029 0.000 0.899 613 L HN 0.366 nan 8.230 nan 0.000 0.433 614 C N -0.514 118.808 119.300 0.036 0.000 2.429 614 C HA -0.167 4.294 4.460 0.001 0.000 0.277 614 C C 3.031 178.032 174.990 0.019 0.000 1.262 614 C CA 0.828 59.864 59.018 0.030 0.000 1.733 614 C CB -0.873 26.899 27.740 0.053 0.000 2.010 614 C HN 0.484 nan 8.230 nan 0.000 0.483 615 R N 0.955 121.466 120.500 0.018 0.000 2.105 615 R HA -0.146 4.194 4.340 0.001 0.000 0.239 615 R C 1.545 177.850 176.300 0.009 0.000 1.135 615 R CA 1.986 58.093 56.100 0.011 0.000 0.967 615 R CB -0.376 29.929 30.300 0.009 0.000 0.861 615 R HN 0.486 nan 8.270 nan 0.000 0.442 616 D N 0.192 120.598 120.400 0.010 0.000 2.178 616 D HA -0.115 4.525 4.640 0.001 0.000 0.201 616 D C 1.138 177.441 176.300 0.006 0.000 0.980 616 D CA 1.421 55.426 54.000 0.008 0.000 0.842 616 D CB -0.051 40.754 40.800 0.008 0.000 0.948 616 D HN 0.393 nan 8.370 nan 0.000 0.472 617 A N -0.283 122.540 122.820 0.005 0.000 2.327 617 A HA 0.459 4.779 4.320 0.001 0.000 0.228 617 A C 1.634 179.218 177.584 -0.001 0.000 1.275 617 A CA 0.692 52.730 52.037 0.001 0.000 0.875 617 A CB -0.406 18.593 19.000 -0.001 0.000 0.925 617 A HN 0.195 nan 8.150 nan 0.000 0.493 618 G N -0.473 108.328 108.800 0.001 0.000 2.153 618 G HA2 -0.245 3.716 3.960 0.001 0.000 0.252 618 G HA3 -0.245 3.716 3.960 0.001 0.000 0.252 618 G C 0.048 174.948 174.900 -0.001 0.000 0.994 618 G CA 0.494 45.595 45.100 0.000 0.000 0.698 618 G HN 0.553 nan 8.290 nan 0.000 0.521 619 I N 0.862 121.433 120.570 0.002 0.000 2.304 619 I HA 0.337 4.508 4.170 0.001 0.000 0.291 619 I C 1.084 177.207 176.117 0.010 0.000 1.018 619 I CA -0.788 60.514 61.300 0.003 0.000 1.260 619 I CB 0.983 38.984 38.000 0.001 0.000 1.390 619 I HN 0.007 nan 8.210 nan 0.000 0.475 620 R N 4.486 124.992 120.500 0.010 0.000 2.582 620 R HA 0.565 4.905 4.340 0.001 0.000 0.271 620 R C -1.014 175.298 176.300 0.019 0.000 1.078 620 R CA -0.401 55.706 56.100 0.012 0.000 1.127 620 R CB 1.561 31.869 30.300 0.013 0.000 1.038 620 R HN 0.367 nan 8.270 nan 0.000 0.500 621 V N 5.429 125.349 119.914 0.010 0.000 2.483 621 V HA 0.421 4.541 4.120 0.001 0.000 0.297 621 V C -0.122 175.963 176.094 -0.014 0.000 1.027 621 V CA -0.605 61.705 62.300 0.017 0.000 0.855 621 V CB 1.795 33.633 31.823 0.026 0.000 0.995 621 V HN 0.606 nan 8.190 nan 0.000 0.424 622 I N 5.038 125.619 120.570 0.018 0.000 2.406 622 I HA 0.477 4.647 4.170 0.001 0.000 0.290 622 I C -0.089 176.050 176.117 0.036 0.000 0.999 622 I CA -0.416 60.907 61.300 0.037 0.000 1.124 622 I CB 1.876 39.944 38.000 0.113 0.000 1.289 622 I HN 0.561 nan 8.210 nan 0.000 0.441 623 M N 7.515 127.120 119.600 0.008 0.000 2.188 623 M HA 0.537 5.017 4.480 0.001 0.000 0.357 623 M C -1.364 174.994 176.300 0.096 0.000 1.204 623 M CA -0.094 55.211 55.300 0.008 0.000 1.095 623 M CB 0.833 33.396 32.600 -0.063 0.000 1.604 623 M HN 0.491 nan 8.290 nan 0.000 0.464 624 I N 4.204 124.814 120.570 0.067 0.000 2.476 624 I HA 0.304 4.474 4.170 0.001 0.000 0.281 624 I C -0.581 175.557 176.117 0.035 0.000 1.040 624 I CA -0.382 60.962 61.300 0.075 0.000 1.094 624 I CB 2.005 40.008 38.000 0.006 0.000 1.219 624 I HN 0.621 nan 8.210 nan 0.000 0.450 625 T N 2.565 117.144 114.554 0.041 0.000 2.906 625 T HA 0.510 4.861 4.350 0.001 0.000 0.295 625 T C 0.919 175.628 174.700 0.014 0.000 1.061 625 T CA -0.209 61.901 62.100 0.017 0.000 1.000 625 T CB 1.870 70.743 68.868 0.008 0.000 1.103 625 T HN 0.673 nan 8.240 nan 0.000 0.486 626 G N 1.575 110.377 108.800 0.004 0.000 2.712 626 G HA2 0.104 4.064 3.960 0.001 0.000 0.212 626 G HA3 0.104 4.064 3.960 0.001 0.000 0.212 626 G C 0.524 175.427 174.900 0.004 0.000 1.142 626 G CA 0.004 45.104 45.100 0.001 0.000 0.789 626 G HN 0.681 nan 8.290 nan 0.000 0.535 627 D N 0.530 120.933 120.400 0.005 0.000 2.384 627 D HA 0.056 4.697 4.640 0.001 0.000 0.244 627 D C 0.340 176.647 176.300 0.012 0.000 1.251 627 D CA -0.402 53.603 54.000 0.008 0.000 0.961 627 D CB 0.449 41.251 40.800 0.004 0.000 1.116 627 D HN -0.065 nan 8.370 nan 0.000 0.484 628 N N 1.143 119.851 118.700 0.014 0.000 2.444 628 N HA -0.031 4.709 4.740 0.001 0.000 0.255 628 N C 0.914 176.432 175.510 0.013 0.000 1.255 628 N CA -0.145 52.915 53.050 0.017 0.000 0.933 628 N CB 0.803 39.303 38.487 0.022 0.000 1.143 628 N HN 0.409 nan 8.380 nan 0.000 0.453 629 K N 1.307 121.715 120.400 0.012 0.000 2.009 629 K HA -0.150 4.170 4.320 0.001 0.000 0.210 629 K C 1.830 178.433 176.600 0.005 0.000 1.049 629 K CA 1.714 58.004 56.287 0.004 0.000 0.929 629 K CB -0.544 31.953 32.500 -0.006 0.000 0.714 629 K HN 0.692 nan 8.250 nan 0.000 0.440 630 G N -0.111 108.693 108.800 0.007 0.000 2.514 630 G HA2 -0.355 3.605 3.960 0.001 0.000 0.217 630 G HA3 -0.355 3.605 3.960 0.001 0.000 0.217 630 G C 1.534 176.442 174.900 0.013 0.000 1.198 630 G CA 1.794 46.899 45.100 0.009 0.000 0.780 630 G HN 0.526 nan 8.290 nan 0.000 0.565 631 T N -0.036 114.526 114.554 0.013 0.000 2.904 631 T HA 0.226 4.576 4.350 0.001 0.000 0.267 631 T C 2.564 177.266 174.700 0.003 0.000 1.059 631 T CA 1.824 63.929 62.100 0.008 0.000 1.137 631 T CB -0.350 68.522 68.868 0.007 0.000 0.879 631 T HN 0.379 nan 8.240 nan 0.000 0.467 632 A N 1.358 124.181 122.820 0.005 0.000 1.883 632 A HA 0.086 4.406 4.320 0.001 0.000 0.217 632 A C 2.376 179.968 177.584 0.014 0.000 1.186 632 A CA 1.633 53.670 52.037 0.000 0.000 0.624 632 A CB -0.838 18.165 19.000 0.005 0.000 0.822 632 A HN 0.629 nan 8.150 nan 0.000 0.444 633 I N -0.341 120.257 120.570 0.046 0.000 2.252 633 I HA -0.254 3.917 4.170 0.001 0.000 0.245 633 I C 2.960 179.132 176.117 0.092 0.000 1.102 633 I CA 0.954 62.324 61.300 0.116 0.000 1.385 633 I CB -0.306 37.746 38.000 0.086 0.000 1.064 633 I HN 0.356 nan 8.210 nan 0.000 0.414 634 A N 1.046 123.890 122.820 0.040 0.000 1.908 634 A HA -0.186 4.134 4.320 0.001 0.000 0.218 634 A C 2.207 179.792 177.584 0.002 0.000 1.181 634 A CA 1.476 53.526 52.037 0.021 0.000 0.627 634 A CB -0.591 18.413 19.000 0.007 0.000 0.818 634 A HN 0.326 nan 8.150 nan 0.000 0.445 635 I N -0.439 120.121 120.570 -0.016 0.000 2.439 635 I HA -0.191 3.979 4.170 0.001 0.000 0.251 635 I C 2.487 178.562 176.117 -0.070 0.000 1.139 635 I CA 0.700 61.971 61.300 -0.048 0.000 1.438 635 I CB -1.693 36.271 38.000 -0.061 0.000 1.085 635 I HN 0.358 nan 8.210 nan 0.000 0.427 636 C N 0.743 120.003 119.300 -0.067 0.000 2.425 636 C HA -0.127 4.333 4.460 0.001 0.000 0.277 636 C C 2.949 177.894 174.990 -0.074 0.000 1.280 636 C CA 0.642 59.565 59.018 -0.158 0.000 1.744 636 C CB -0.947 26.600 27.740 -0.322 0.000 1.989 636 C HN 0.449 nan 8.230 nan 0.000 0.491 637 R N 0.160 120.684 120.500 0.040 0.000 2.090 637 R HA -0.041 4.299 4.340 0.001 0.000 0.228 637 R C 2.465 178.764 176.300 -0.002 0.000 1.110 637 R CA 0.898 57.032 56.100 0.057 0.000 0.973 637 R CB -0.313 30.031 30.300 0.072 0.000 0.869 637 R HN 0.553 nan 8.270 nan 0.000 0.440 638 R N 1.028 121.513 120.500 -0.025 0.000 2.081 638 R HA -0.093 4.248 4.340 0.001 0.000 0.235 638 R C 2.223 178.487 176.300 -0.060 0.000 1.131 638 R CA 1.556 57.630 56.100 -0.043 0.000 0.960 638 R CB -0.273 29.995 30.300 -0.054 0.000 0.856 638 R HN 0.346 nan 8.270 nan 0.000 0.436 639 I N -3.238 117.282 120.570 -0.084 0.000 3.812 639 I HA 0.318 4.488 4.170 0.001 0.000 0.320 639 I C 0.725 176.785 176.117 -0.095 0.000 1.276 639 I CA 0.613 61.849 61.300 -0.106 0.000 1.164 639 I CB 0.489 38.394 38.000 -0.159 0.000 1.009 639 I HN 0.238 nan 8.210 nan 0.000 0.431 640 G N 1.934 110.693 108.800 -0.069 0.000 2.159 640 G HA2 -0.284 3.677 3.960 0.001 0.000 0.256 640 G HA3 -0.284 3.677 3.960 0.001 0.000 0.256 640 G C 0.694 175.550 174.900 -0.073 0.000 0.977 640 G CA 0.493 45.563 45.100 -0.050 0.000 0.652 640 G HN 0.513 nan 8.290 nan 0.000 0.531 641 I N -0.748 119.727 120.570 -0.158 0.000 2.315 641 I HA 0.142 4.313 4.170 0.001 0.000 0.248 641 I C 1.250 177.216 176.117 -0.252 0.000 1.117 641 I CA 1.121 62.253 61.300 -0.281 0.000 1.404 641 I CB -0.091 37.615 38.000 -0.488 0.000 1.071 641 I HN 0.226 nan 8.210 nan 0.000 0.419 642 F N -0.394 119.532 119.950 -0.040 0.000 2.538 642 F HA 0.511 5.039 4.527 0.001 0.000 0.325 642 F C 0.932 176.710 175.800 -0.037 0.000 1.066 642 F CA -1.216 56.759 58.000 -0.041 0.000 0.946 642 F CB 1.353 40.322 39.000 -0.052 0.000 1.199 642 F HN -0.196 nan 8.300 nan 0.000 0.473 643 G N 0.660 109.571 108.800 0.186 0.000 2.606 643 G HA2 0.121 4.082 3.960 0.001 0.000 0.252 643 G HA3 0.121 4.082 3.960 0.001 0.000 0.252 643 G C 0.489 175.425 174.900 0.060 0.000 1.206 643 G CA -0.355 44.794 45.100 0.080 0.000 0.861 643 G HN 0.824 nan 8.290 nan 0.000 0.561 644 E N -0.158 120.060 120.200 0.030 0.000 2.160 644 E HA -0.174 4.177 4.350 0.001 0.000 0.195 644 E C 1.422 178.022 176.600 0.000 0.000 0.991 644 E CA 1.050 57.459 56.400 0.016 0.000 0.810 644 E CB 0.160 29.863 29.700 0.005 0.000 0.742 644 E HN 0.633 nan 8.360 nan 0.000 0.466 645 N N 0.605 119.299 118.700 -0.011 0.000 2.170 645 N HA -0.037 4.704 4.740 0.001 0.000 0.222 645 N C -0.305 175.172 175.510 -0.056 0.000 1.218 645 N CA -0.084 52.947 53.050 -0.031 0.000 0.889 645 N CB 0.703 39.175 38.487 -0.025 0.000 1.083 645 N HN 0.071 nan 8.380 nan 0.000 0.520 646 E N 1.737 121.902 120.200 -0.058 0.000 2.452 646 E HA -0.140 4.211 4.350 0.001 0.000 0.261 646 E C -0.372 176.114 176.600 -0.191 0.000 0.987 646 E CA -0.004 56.334 56.400 -0.104 0.000 0.926 646 E CB 0.584 30.235 29.700 -0.082 0.000 0.934 646 E HN 0.151 nan 8.360 nan 0.000 0.452 647 E N 3.211 123.302 120.200 -0.182 0.000 2.290 647 E HA 0.046 4.397 4.350 0.001 0.000 0.277 647 E C -0.003 176.399 176.600 -0.330 0.000 1.035 647 E CA -0.136 56.140 56.400 -0.207 0.000 0.873 647 E CB 1.224 30.840 29.700 -0.141 0.000 1.029 647 E HN 0.363 nan 8.360 nan 0.000 0.419 648 V N 2.325 122.002 119.914 -0.394 0.000 3.276 648 V HA 0.449 4.569 4.120 0.001 0.000 0.319 648 V C 1.484 177.345 176.094 -0.389 0.000 1.427 648 V CA 0.406 62.379 62.300 -0.546 0.000 1.102 648 V CB -0.134 31.203 31.823 -0.809 0.000 1.020 648 V HN 0.659 nan 8.190 nan 0.000 0.456 649 A N 2.875 125.529 122.820 -0.277 0.000 1.894 649 A HA -0.314 4.006 4.320 0.001 0.000 0.220 649 A C 1.639 179.045 177.584 -0.298 0.000 1.237 649 A CA 2.879 54.777 52.037 -0.232 0.000 0.660 649 A CB -0.859 18.052 19.000 -0.149 0.000 0.835 649 A HN 0.884 nan 8.150 nan 0.000 0.461 650 D N -2.511 117.749 120.400 -0.235 0.000 2.463 650 D HA 0.177 4.817 4.640 0.001 0.000 0.224 650 D C 1.006 177.201 176.300 -0.176 0.000 1.174 650 D CA -0.138 53.747 54.000 -0.192 0.000 0.829 650 D CB -0.021 40.792 40.800 0.023 0.000 0.993 650 D HN 0.515 nan 8.370 nan 0.000 0.497 651 R N 0.074 120.399 120.500 -0.292 0.000 2.437 651 R HA 0.575 4.915 4.340 0.001 0.000 0.257 651 R C -0.188 176.006 176.300 -0.176 0.000 0.927 651 R CA -0.142 55.873 56.100 -0.143 0.000 1.078 651 R CB 1.233 31.450 30.300 -0.139 0.000 1.161 651 R HN 0.151 nan 8.270 nan 0.000 0.529 652 A N 0.700 123.221 122.820 -0.498 0.000 2.427 652 A HA 0.690 5.010 4.320 0.001 0.000 0.298 652 A C -1.660 175.484 177.584 -0.734 0.000 1.036 652 A CA -0.533 51.239 52.037 -0.442 0.000 0.701 652 A CB 1.083 19.954 19.000 -0.214 0.000 1.250 652 A HN 0.143 nan 8.150 nan 0.000 0.412 653 Y N -0.006 120.109 120.300 -0.309 0.000 2.553 653 Y HA 0.640 5.191 4.550 0.001 0.000 0.347 653 Y C 0.908 176.781 175.900 -0.044 0.000 1.019 653 Y CA -0.243 57.785 58.100 -0.121 0.000 1.032 653 Y CB 2.384 40.842 38.460 -0.002 0.000 1.284 653 Y HN 0.815 nan 8.280 nan 0.000 0.466 654 T N -2.460 112.209 114.554 0.191 0.000 2.881 654 T HA 0.421 4.771 4.350 0.001 0.000 0.278 654 T C 1.256 176.025 174.700 0.115 0.000 0.982 654 T CA -0.152 62.013 62.100 0.107 0.000 0.989 654 T CB 1.375 70.288 68.868 0.074 0.000 1.058 654 T HN 0.828 nan 8.240 nan 0.000 0.529 655 G N -0.053 108.712 108.800 -0.057 0.000 2.446 655 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 655 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 655 G C 1.622 176.510 174.900 -0.020 0.000 1.168 655 G CA 0.311 45.205 45.100 -0.345 0.000 0.771 655 G HN 0.736 nan 8.290 nan 0.000 0.551 656 R N 0.363 120.899 120.500 0.059 0.000 2.081 656 R HA -0.070 4.270 4.340 0.001 0.000 0.235 656 R C 2.583 178.969 176.300 0.143 0.000 1.131 656 R CA 1.614 57.784 56.100 0.118 0.000 0.960 656 R CB -0.278 30.078 30.300 0.094 0.000 0.856 656 R HN 0.503 nan 8.270 nan 0.000 0.436 657 E N -0.647 119.654 120.200 0.169 0.000 2.077 657 E HA -0.219 4.131 4.350 0.001 0.000 0.193 657 E C 1.713 178.437 176.600 0.207 0.000 0.989 657 E CA 1.375 57.899 56.400 0.206 0.000 0.800 657 E CB -0.212 29.665 29.700 0.296 0.000 0.746 657 E HN 0.290 nan 8.360 nan 0.000 0.452 658 F N 1.983 121.982 119.950 0.083 0.000 2.102 658 F HA -0.219 4.309 4.527 0.001 0.000 0.298 658 F C 1.761 177.586 175.800 0.041 0.000 1.105 658 F CA 1.437 59.446 58.000 0.015 0.000 1.239 658 F CB 0.144 39.218 39.000 0.123 0.000 0.991 658 F HN -0.084 nan 8.300 nan 0.000 0.474 659 D N 0.097 120.573 120.400 0.127 0.000 2.178 659 D HA -0.179 4.462 4.640 0.001 0.000 0.202 659 D C 1.668 177.946 176.300 -0.035 0.000 0.974 659 D CA 1.384 55.410 54.000 0.043 0.000 0.841 659 D CB -0.549 40.364 40.800 0.188 0.000 0.953 659 D HN 0.378 nan 8.370 nan 0.000 0.478 660 D N -0.229 120.171 120.400 0.000 0.000 2.218 660 D HA -0.032 4.608 4.640 0.001 0.000 0.204 660 D C 0.497 176.761 176.300 -0.060 0.000 0.976 660 D CA 0.361 54.358 54.000 -0.005 0.000 0.853 660 D CB 0.191 41.011 40.800 0.034 0.000 0.939 660 D HN 0.142 nan 8.370 nan 0.000 0.481 661 L N 1.572 122.710 121.223 -0.142 0.000 2.439 661 L HA 0.240 4.580 4.340 0.001 0.000 0.269 661 L C -1.857 174.899 176.870 -0.189 0.000 1.179 661 L CA -1.761 52.967 54.840 -0.186 0.000 0.828 661 L CB 0.366 42.237 42.059 -0.314 0.000 1.106 661 L HN -0.033 nan 8.230 nan 0.000 0.467 662 P HA 0.025 nan 4.420 nan 0.000 0.272 662 P C 0.634 177.849 177.300 -0.142 0.000 1.223 662 P CA -0.533 62.503 63.100 -0.107 0.000 0.784 662 P CB 0.980 32.638 31.700 -0.071 0.000 0.923 663 L N 2.360 123.527 121.223 -0.093 0.000 2.103 663 L HA -0.279 4.061 4.340 0.001 0.000 0.215 663 L C 2.679 179.478 176.870 -0.118 0.000 1.080 663 L CA 2.786 57.587 54.840 -0.066 0.000 0.764 663 L CB -1.901 40.163 42.059 0.008 0.000 0.890 663 L HN 0.485 nan 8.230 nan 0.000 0.435 664 A N -1.253 121.508 122.820 -0.098 0.000 1.855 664 A HA -0.149 4.172 4.320 0.001 0.000 0.215 664 A C 2.241 179.745 177.584 -0.134 0.000 1.191 664 A CA 1.333 53.314 52.037 -0.094 0.000 0.613 664 A CB -0.397 18.571 19.000 -0.053 0.000 0.829 664 A HN 0.378 nan 8.150 nan 0.000 0.442 665 E N 0.077 120.193 120.200 -0.140 0.000 2.110 665 E HA -0.221 4.130 4.350 0.001 0.000 0.193 665 E C 2.178 178.638 176.600 -0.233 0.000 0.988 665 E CA 1.329 57.642 56.400 -0.146 0.000 0.804 665 E CB -0.456 29.163 29.700 -0.134 0.000 0.745 665 E HN 0.751 nan 8.360 nan 0.000 0.458 666 Q N 0.214 119.779 119.800 -0.390 0.000 2.077 666 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 666 Q C 2.337 177.998 176.000 -0.564 0.000 0.989 666 Q CA 1.678 57.114 55.803 -0.612 0.000 0.853 666 Q CB -0.214 28.061 28.738 -0.772 0.000 0.907 666 Q HN 0.127 nan 8.270 nan 0.000 0.418 667 R N 0.471 120.529 120.500 -0.736 0.000 2.081 667 R HA -0.205 4.136 4.340 0.001 0.000 0.235 667 R C 2.036 178.334 176.300 -0.003 0.000 1.131 667 R CA 1.674 57.416 56.100 -0.597 0.000 0.960 667 R CB 0.013 30.110 30.300 -0.339 0.000 0.856 667 R HN 0.087 nan 8.270 nan 0.000 0.436 668 E N 0.179 120.389 120.200 0.018 0.000 2.158 668 E HA -0.018 4.332 4.350 0.001 0.000 0.191 668 E C 1.631 178.277 176.600 0.076 0.000 0.982 668 E CA 1.305 57.755 56.400 0.082 0.000 0.823 668 E CB -0.120 29.614 29.700 0.057 0.000 0.766 668 E HN 0.416 nan 8.360 nan 0.000 0.468 669 A N -0.004 122.868 122.820 0.087 0.000 1.940 669 A HA -0.224 4.096 4.320 0.001 0.000 0.219 669 A C 2.433 180.224 177.584 0.345 0.000 1.176 669 A CA 1.569 53.727 52.037 0.202 0.000 0.631 669 A CB -1.068 18.021 19.000 0.148 0.000 0.814 669 A HN 0.493 nan 8.150 nan 0.000 0.446 670 C N -1.528 117.962 119.300 0.316 0.000 2.437 670 C HA 0.029 4.489 4.460 0.001 0.000 0.283 670 C C 2.687 177.786 174.990 0.182 0.000 1.424 670 C CA 0.995 60.194 59.018 0.301 0.000 1.782 670 C CB -1.378 26.503 27.740 0.235 0.000 1.833 670 C HN 0.609 nan 8.230 nan 0.000 0.532 671 R N 0.105 120.649 120.500 0.072 0.000 2.189 671 R HA 0.031 4.371 4.340 0.001 0.000 0.203 671 R C 2.454 178.766 176.300 0.020 0.000 1.012 671 R CA 0.482 56.552 56.100 -0.050 0.000 1.015 671 R CB -0.058 30.074 30.300 -0.280 0.000 0.938 671 R HN 0.571 nan 8.270 nan 0.000 0.472 672 R N 0.063 120.612 120.500 0.080 0.000 2.103 672 R HA 0.234 4.575 4.340 0.001 0.000 0.212 672 R C 0.238 176.623 176.300 0.141 0.000 1.107 672 R CA 0.639 56.795 56.100 0.093 0.000 1.025 672 R CB 0.070 30.423 30.300 0.088 0.000 0.929 672 R HN 0.029 nan 8.270 nan 0.000 0.456 673 A N 0.357 123.297 122.820 0.198 0.000 2.407 673 A HA 0.263 4.583 4.320 0.001 0.000 0.248 673 A C 0.274 177.950 177.584 0.153 0.000 1.082 673 A CA -0.336 51.790 52.037 0.149 0.000 0.785 673 A CB 0.567 19.606 19.000 0.065 0.000 1.020 673 A HN 0.618 nan 8.150 nan 0.000 0.489 674 C N 0.365 119.739 119.300 0.124 0.000 3.385 674 C HA 0.406 4.867 4.460 0.001 0.000 0.288 674 C C 0.373 175.318 174.990 -0.075 0.000 1.429 674 C CA -0.407 58.627 59.018 0.027 0.000 1.778 674 C CB -1.400 26.267 27.740 -0.121 0.000 2.503 674 C HN 0.826 nan 8.230 nan 0.000 0.646 675 C N 1.517 120.750 119.300 -0.112 0.000 2.599 675 C HA 0.723 5.184 4.460 0.001 0.000 0.354 675 C C -1.603 173.182 174.990 -0.341 0.000 1.092 675 C CA -0.483 58.466 59.018 -0.116 0.000 1.280 675 C CB -0.567 27.186 27.740 0.020 0.000 1.829 675 C HN 0.438 nan 8.230 nan 0.000 0.454 676 F N 4.765 124.715 119.950 0.000 0.000 2.477 676 F HA 0.732 5.259 4.527 0.001 0.000 0.335 676 F C 0.523 176.295 175.800 -0.046 0.000 1.130 676 F CA -0.086 57.894 58.000 -0.033 0.000 0.948 676 F CB 1.726 40.642 39.000 -0.139 0.000 1.154 676 F HN 0.828 nan 8.300 nan 0.000 0.439 677 A N 2.443 125.318 122.820 0.093 0.000 2.387 677 A HA 0.817 5.137 4.320 0.001 0.000 0.303 677 A C 0.402 177.998 177.584 0.019 0.000 1.145 677 A CA -0.941 51.122 52.037 0.043 0.000 0.801 677 A CB 1.134 20.147 19.000 0.022 0.000 1.342 677 A HN 0.778 nan 8.150 nan 0.000 0.440 678 R N -1.136 119.370 120.500 0.010 0.000 3.416 678 R HA -0.134 4.207 4.340 0.001 0.000 0.263 678 R C -0.645 175.639 176.300 -0.027 0.000 1.053 678 R CA 0.646 56.747 56.100 0.002 0.000 0.705 678 R CB -2.152 28.155 30.300 0.012 0.000 1.124 678 R HN 0.507 nan 8.270 nan 0.000 0.444 679 V N 0.661 120.561 119.914 -0.023 0.000 2.743 679 V HA 0.210 4.331 4.120 0.001 0.000 0.301 679 V C 1.020 177.185 176.094 0.117 0.000 1.057 679 V CA -0.234 62.054 62.300 -0.020 0.000 1.006 679 V CB 1.911 33.725 31.823 -0.015 0.000 1.024 679 V HN 0.181 nan 8.190 nan 0.000 0.473 680 E N 3.892 124.327 120.200 0.392 0.000 2.239 680 E HA 0.300 4.651 4.350 0.001 0.000 0.261 680 E C -1.873 174.762 176.600 0.059 0.000 1.016 680 E CA -1.690 54.803 56.400 0.156 0.000 0.882 680 E CB 1.293 31.040 29.700 0.080 0.000 1.190 680 E HN 0.377 nan 8.360 nan 0.000 0.415 681 P HA -0.136 nan 4.420 nan 0.000 0.216 681 P C 0.980 178.234 177.300 -0.077 0.000 1.150 681 P CA 1.307 64.369 63.100 -0.063 0.000 0.843 681 P CB 0.244 31.889 31.700 -0.091 0.000 0.787 682 S N -1.929 113.694 115.700 -0.130 0.000 2.447 682 S HA -0.147 4.323 4.470 0.001 0.000 0.233 682 S C 1.569 176.071 174.600 -0.163 0.000 1.006 682 S CA 0.946 59.048 58.200 -0.164 0.000 0.957 682 S CB -1.019 62.056 63.200 -0.209 0.000 0.773 682 S HN 0.391 nan 8.310 nan 0.000 0.507 683 H N 1.497 120.535 119.070 -0.054 0.000 2.353 683 H HA 0.034 4.591 4.556 0.001 0.000 0.300 683 H C 2.214 177.444 175.328 -0.163 0.000 1.090 683 H CA 1.319 57.322 56.048 -0.075 0.000 1.327 683 H CB 0.078 29.798 29.762 -0.070 0.000 1.383 683 H HN 0.268 nan 8.280 nan 0.000 0.508 684 K N 0.338 120.726 120.400 -0.019 0.000 2.026 684 K HA -0.136 4.185 4.320 0.001 0.000 0.208 684 K C 2.452 178.993 176.600 -0.100 0.000 1.048 684 K CA 1.649 57.883 56.287 -0.088 0.000 0.929 684 K CB -0.135 32.331 32.500 -0.057 0.000 0.713 684 K HN 0.338 nan 8.250 nan 0.000 0.439 685 S N 1.429 117.078 115.700 -0.085 0.000 2.402 685 S HA -0.141 4.330 4.470 0.001 0.000 0.229 685 S C 2.036 176.567 174.600 -0.114 0.000 1.021 685 S CA 1.053 59.199 58.200 -0.090 0.000 0.974 685 S CB -0.104 63.045 63.200 -0.085 0.000 0.800 685 S HN 0.238 nan 8.310 nan 0.000 0.484 686 K N 1.743 122.074 120.400 -0.116 0.000 2.026 686 K HA -0.038 4.283 4.320 0.001 0.000 0.208 686 K C 2.277 178.794 176.600 -0.140 0.000 1.048 686 K CA 1.720 57.915 56.287 -0.153 0.000 0.929 686 K CB -0.447 32.034 32.500 -0.033 0.000 0.713 686 K HN 0.667 nan 8.250 nan 0.000 0.439 687 I N -1.486 119.025 120.570 -0.099 0.000 2.394 687 I HA -0.145 4.025 4.170 0.001 0.000 0.251 687 I C 1.905 178.006 176.117 -0.027 0.000 1.136 687 I CA 0.772 62.025 61.300 -0.079 0.000 1.425 687 I CB -0.581 37.098 38.000 -0.535 0.000 1.079 687 I HN -0.103 nan 8.210 nan 0.000 0.425 688 V N 1.896 121.767 119.914 -0.071 0.000 2.358 688 V HA -0.252 3.868 4.120 0.001 0.000 0.246 688 V C 2.753 178.838 176.094 -0.014 0.000 1.047 688 V CA 2.293 64.573 62.300 -0.034 0.000 1.035 688 V CB -0.769 31.025 31.823 -0.048 0.000 0.658 688 V HN 0.533 nan 8.190 nan 0.000 0.452 689 E N -0.617 119.538 120.200 -0.075 0.000 2.085 689 E HA -0.255 4.095 4.350 0.001 0.000 0.194 689 E C 2.182 178.758 176.600 -0.040 0.000 0.994 689 E CA 1.797 58.133 56.400 -0.107 0.000 0.801 689 E CB -0.297 29.269 29.700 -0.224 0.000 0.743 689 E HN 0.734 nan 8.360 nan 0.000 0.453 690 Y N -0.026 120.300 120.300 0.044 0.000 2.145 690 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 690 Y C 2.380 178.385 175.900 0.174 0.000 1.145 690 Y CA 0.437 58.593 58.100 0.093 0.000 1.148 690 Y CB -0.026 38.525 38.460 0.151 0.000 0.981 690 Y HN 0.155 nan 8.280 nan 0.000 0.507 691 L N 0.394 121.812 121.223 0.325 0.000 1.990 691 L HA -0.304 4.036 4.340 0.001 0.000 0.213 691 L C 2.245 179.261 176.870 0.242 0.000 1.072 691 L CA 1.821 56.829 54.840 0.280 0.000 0.755 691 L CB -1.511 40.633 42.059 0.141 0.000 0.889 691 L HN 0.360 nan 8.230 nan 0.000 0.432 692 Q N -0.978 118.903 119.800 0.135 0.000 2.234 692 Q HA -0.189 4.152 4.340 0.001 0.000 0.206 692 Q C 2.226 178.272 176.000 0.077 0.000 0.980 692 Q CA 1.648 57.501 55.803 0.083 0.000 0.869 692 Q CB -0.277 28.479 28.738 0.030 0.000 0.912 692 Q HN 0.670 nan 8.270 nan 0.000 0.436 693 S N -0.402 115.342 115.700 0.073 0.000 2.442 693 S HA -0.164 4.307 4.470 0.001 0.000 0.236 693 S C 1.175 175.715 174.600 -0.101 0.000 1.007 693 S CA 0.750 58.932 58.200 -0.030 0.000 0.965 693 S CB -0.252 62.917 63.200 -0.052 0.000 0.773 693 S HN 0.435 nan 8.310 nan 0.000 0.504 694 Y N 2.005 122.341 120.300 0.060 0.000 2.532 694 Y HA 0.251 4.801 4.550 0.001 0.000 0.283 694 Y C 0.151 176.068 175.900 0.030 0.000 1.181 694 Y CA -0.321 57.806 58.100 0.045 0.000 1.256 694 Y CB -0.166 38.322 38.460 0.048 0.000 1.112 694 Y HN 0.179 nan 8.280 nan 0.000 0.521 695 D N 0.782 121.258 120.400 0.127 0.000 2.772 695 D HA -0.219 4.421 4.640 0.001 0.000 0.233 695 D C -0.359 175.987 176.300 0.076 0.000 1.143 695 D CA 0.794 54.841 54.000 0.078 0.000 0.700 695 D CB -0.980 39.855 40.800 0.059 0.000 1.076 695 D HN 0.535 nan 8.370 nan 0.000 0.430 696 E N -0.102 120.153 120.200 0.093 0.000 2.204 696 E HA 0.351 4.701 4.350 0.001 0.000 0.276 696 E C 0.639 177.258 176.600 0.032 0.000 0.974 696 E CA -0.917 55.519 56.400 0.060 0.000 0.815 696 E CB 1.413 31.157 29.700 0.073 0.000 1.119 696 E HN 0.022 nan 8.360 nan 0.000 0.393 697 I N 3.550 124.124 120.570 0.006 0.000 2.329 697 I HA 0.036 4.207 4.170 0.001 0.000 0.295 697 I C 0.625 176.737 176.117 -0.008 0.000 1.109 697 I CA 0.139 61.433 61.300 -0.011 0.000 1.297 697 I CB -0.522 37.457 38.000 -0.036 0.000 1.433 697 I HN 0.428 nan 8.210 nan 0.000 0.509 698 T N 3.343 117.896 114.554 -0.002 0.000 2.859 698 T HA 0.850 5.201 4.350 0.001 0.000 0.281 698 T C -0.157 174.534 174.700 -0.014 0.000 1.005 698 T CA -0.724 61.375 62.100 -0.002 0.000 1.025 698 T CB 2.323 71.198 68.868 0.011 0.000 0.977 698 T HN 0.585 nan 8.240 nan 0.000 0.458 699 A N 3.025 125.835 122.820 -0.017 0.000 2.322 699 A HA 0.901 5.221 4.320 0.001 0.000 0.327 699 A C -0.541 177.032 177.584 -0.018 0.000 1.134 699 A CA -1.117 50.904 52.037 -0.026 0.000 0.831 699 A CB 1.594 20.570 19.000 -0.041 0.000 1.288 699 A HN 0.977 nan 8.150 nan 0.000 0.472 700 M N 0.833 120.420 119.600 -0.022 0.000 2.326 700 M HA 0.555 5.035 4.480 0.001 0.000 0.292 700 M C -1.188 175.105 176.300 -0.012 0.000 1.081 700 M CA 0.074 55.367 55.300 -0.012 0.000 0.919 700 M CB 2.042 34.631 32.600 -0.019 0.000 1.634 700 M HN 0.563 nan 8.290 nan 0.000 0.451 701 T N 3.136 117.698 114.554 0.013 0.000 2.829 701 T HA 0.960 5.310 4.350 0.001 0.000 0.280 701 T C -0.198 174.526 174.700 0.040 0.000 0.999 701 T CA -0.540 61.574 62.100 0.023 0.000 0.983 701 T CB 1.500 70.411 68.868 0.072 0.000 0.968 701 T HN 0.931 nan 8.240 nan 0.000 0.446 702 G N 0.846 109.662 108.800 0.027 0.000 2.600 702 G HA2 0.558 4.518 3.960 0.001 0.000 0.293 702 G HA3 0.558 4.518 3.960 0.001 0.000 0.293 702 G C -0.801 174.111 174.900 0.020 0.000 1.408 702 G CA -0.678 44.435 45.100 0.023 0.000 0.782 702 G HN 0.584 nan 8.290 nan 0.000 0.482 703 D N -1.616 118.793 120.400 0.015 0.000 2.335 703 D HA 0.186 4.826 4.640 0.001 0.000 0.284 703 D C 1.035 177.341 176.300 0.011 0.000 1.096 703 D CA 0.743 54.753 54.000 0.016 0.000 0.844 703 D CB 0.259 41.074 40.800 0.023 0.000 1.454 703 D HN 0.796 nan 8.370 nan 0.000 0.526 704 G N 1.040 109.839 108.800 -0.002 0.000 2.502 704 G HA2 0.405 4.366 3.960 0.001 0.000 0.305 704 G HA3 0.405 4.366 3.960 0.001 0.000 0.305 704 G C 1.073 175.949 174.900 -0.039 0.000 1.190 704 G CA -0.049 45.040 45.100 -0.018 0.000 0.933 704 G HN 0.226 nan 8.290 nan 0.000 0.503 705 V N -0.248 119.619 119.914 -0.080 0.000 3.141 705 V HA -0.073 4.048 4.120 0.001 0.000 0.265 705 V C 1.796 177.826 176.094 -0.107 0.000 1.126 705 V CA 1.759 63.992 62.300 -0.111 0.000 1.141 705 V CB -0.691 30.983 31.823 -0.249 0.000 0.743 705 V HN 0.724 nan 8.190 nan 0.000 0.492 706 N N -0.214 118.428 118.700 -0.096 0.000 2.467 706 N HA -0.097 4.643 4.740 0.001 0.000 0.184 706 N C 0.956 176.431 175.510 -0.059 0.000 1.106 706 N CA 1.168 54.167 53.050 -0.085 0.000 0.892 706 N CB -0.274 38.165 38.487 -0.080 0.000 0.969 706 N HN 0.558 nan 8.380 nan 0.000 0.454 707 D N 0.633 121.005 120.400 -0.047 0.000 2.366 707 D HA 0.187 4.827 4.640 0.001 0.000 0.205 707 D C 1.783 178.061 176.300 -0.036 0.000 1.022 707 D CA 0.315 54.294 54.000 -0.035 0.000 0.868 707 D CB 0.275 41.062 40.800 -0.020 0.000 0.953 707 D HN 0.300 nan 8.370 nan 0.000 0.514 708 A N 2.364 125.160 122.820 -0.040 0.000 1.869 708 A HA -0.187 4.134 4.320 0.001 0.000 0.218 708 A C -0.224 177.337 177.584 -0.038 0.000 1.203 708 A CA 1.711 53.727 52.037 -0.036 0.000 0.638 708 A CB -1.641 17.337 19.000 -0.037 0.000 0.831 708 A HN 0.167 nan 8.150 nan 0.000 0.450 709 P HA -0.173 nan 4.420 nan 0.000 0.214 709 P C 1.816 179.086 177.300 -0.049 0.000 1.163 709 P CA 2.221 65.290 63.100 -0.050 0.000 0.889 709 P CB -0.193 31.471 31.700 -0.061 0.000 0.790 710 A N -0.838 121.952 122.820 -0.050 0.000 1.902 710 A HA -0.169 4.152 4.320 0.001 0.000 0.217 710 A C 2.228 179.789 177.584 -0.038 0.000 1.181 710 A CA 1.479 53.487 52.037 -0.048 0.000 0.623 710 A CB -1.715 17.256 19.000 -0.048 0.000 0.818 710 A HN 0.107 nan 8.150 nan 0.000 0.443 711 L N -1.126 120.077 121.223 -0.033 0.000 2.131 711 L HA -0.198 4.143 4.340 0.001 0.000 0.210 711 L C 2.582 179.435 176.870 -0.029 0.000 1.092 711 L CA 1.756 56.580 54.840 -0.028 0.000 0.759 711 L CB -0.335 41.711 42.059 -0.023 0.000 0.903 711 L HN 0.313 nan 8.230 nan 0.000 0.435 712 K N 0.685 121.067 120.400 -0.031 0.000 2.007 712 K HA -0.176 4.144 4.320 0.001 0.000 0.206 712 K C 2.098 178.678 176.600 -0.032 0.000 1.047 712 K CA 1.334 57.603 56.287 -0.030 0.000 0.937 712 K CB -0.063 32.418 32.500 -0.031 0.000 0.718 712 K HN -0.159 nan 8.250 nan 0.000 0.438 713 K N 0.502 120.880 120.400 -0.038 0.000 2.152 713 K HA 0.053 4.373 4.320 0.001 0.000 0.206 713 K C 0.008 176.588 176.600 -0.034 0.000 1.048 713 K CA 0.982 57.245 56.287 -0.040 0.000 0.933 713 K CB -0.505 31.964 32.500 -0.052 0.000 0.721 713 K HN 0.271 nan 8.250 nan 0.000 0.447 714 A N 0.604 123.405 122.820 -0.032 0.000 2.425 714 A HA 0.068 4.388 4.320 0.001 0.000 0.242 714 A C 0.829 178.398 177.584 -0.025 0.000 1.077 714 A CA -0.142 51.879 52.037 -0.027 0.000 0.781 714 A CB 0.232 19.216 19.000 -0.026 0.000 1.020 714 A HN 0.353 nan 8.150 nan 0.000 0.494 715 E N -0.005 120.181 120.200 -0.023 0.000 2.077 715 E HA -0.083 4.268 4.350 0.001 0.000 0.193 715 E C -0.375 176.208 176.600 -0.028 0.000 0.989 715 E CA 1.433 57.818 56.400 -0.025 0.000 0.800 715 E CB -0.165 29.520 29.700 -0.026 0.000 0.746 715 E HN 0.612 nan 8.360 nan 0.000 0.452 716 I N -0.249 120.302 120.570 -0.031 0.000 2.439 716 I HA 0.359 4.529 4.170 0.001 0.000 0.285 716 I C 0.055 176.151 176.117 -0.036 0.000 1.021 716 I CA -0.541 60.737 61.300 -0.035 0.000 1.091 716 I CB 2.151 40.125 38.000 -0.043 0.000 1.242 716 I HN -0.136 nan 8.210 nan 0.000 0.439 717 G N 6.959 115.739 108.800 -0.033 0.000 2.335 717 G HA2 0.740 4.700 3.960 0.001 0.000 0.314 717 G HA3 0.740 4.700 3.960 0.001 0.000 0.314 717 G C -0.535 174.343 174.900 -0.035 0.000 1.129 717 G CA -0.365 44.717 45.100 -0.031 0.000 0.912 717 G HN 0.505 nan 8.290 nan 0.000 0.443 718 I N 2.152 122.698 120.570 -0.040 0.000 2.355 718 I HA 0.502 4.672 4.170 0.001 0.000 0.288 718 I C 0.428 176.526 176.117 -0.032 0.000 0.999 718 I CA -0.675 60.596 61.300 -0.049 0.000 1.163 718 I CB 1.949 39.898 38.000 -0.084 0.000 1.316 718 I HN 0.515 nan 8.210 nan 0.000 0.454 719 A N 7.607 130.412 122.820 -0.025 0.000 2.324 719 A HA 0.796 5.116 4.320 0.001 0.000 0.330 719 A C -0.148 177.433 177.584 -0.005 0.000 1.165 719 A CA -0.749 51.283 52.037 -0.010 0.000 0.813 719 A CB 1.079 20.076 19.000 -0.006 0.000 1.197 719 A HN 0.593 nan 8.150 nan 0.000 0.484 720 M N 2.154 121.761 119.600 0.010 0.000 2.228 720 M HA 0.132 4.613 4.480 0.001 0.000 0.351 720 M C 1.617 177.924 176.300 0.013 0.000 1.233 720 M CA 0.144 55.455 55.300 0.018 0.000 1.129 720 M CB 0.305 32.926 32.600 0.034 0.000 1.604 720 M HN 0.942 nan 8.290 nan 0.000 0.457 721 G N 1.775 110.581 108.800 0.010 0.000 2.469 721 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 721 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 721 G C 1.146 176.051 174.900 0.010 0.000 1.136 721 G CA 1.223 46.327 45.100 0.007 0.000 0.759 721 G HN 0.756 nan 8.290 nan 0.000 0.562 722 S N 0.033 115.742 115.700 0.015 0.000 2.614 722 S HA 0.502 4.972 4.470 0.001 0.000 0.230 722 S C 1.177 175.790 174.600 0.021 0.000 0.952 722 S CA 0.124 58.334 58.200 0.016 0.000 0.949 722 S CB 0.489 63.699 63.200 0.017 0.000 0.786 722 S HN 0.481 nan 8.310 nan 0.000 0.478 723 G N 1.765 110.578 108.800 0.022 0.000 2.508 723 G HA2 0.463 4.423 3.960 0.001 0.000 0.278 723 G HA3 0.463 4.423 3.960 0.001 0.000 0.278 723 G C 0.090 175.010 174.900 0.033 0.000 1.389 723 G CA -0.127 44.989 45.100 0.027 0.000 1.050 723 G HN 0.490 nan 8.290 nan 0.000 0.522 724 T N -2.876 111.704 114.554 0.043 0.000 2.904 724 T HA 0.471 4.821 4.350 0.001 0.000 0.290 724 T C 1.576 176.309 174.700 0.055 0.000 1.018 724 T CA 0.373 62.513 62.100 0.067 0.000 1.075 724 T CB 1.507 70.434 68.868 0.099 0.000 0.986 724 T HN 0.852 nan 8.240 nan 0.000 0.523 725 A N 2.244 125.100 122.820 0.060 0.000 1.908 725 A HA -0.023 4.297 4.320 0.001 0.000 0.218 725 A C 2.382 179.994 177.584 0.047 0.000 1.181 725 A CA 1.754 53.815 52.037 0.040 0.000 0.627 725 A CB -1.283 17.733 19.000 0.027 0.000 0.818 725 A HN 0.795 nan 8.150 nan 0.000 0.445 726 V N -0.081 119.883 119.914 0.084 0.000 2.282 726 V HA -0.312 3.808 4.120 0.001 0.000 0.249 726 V C 3.055 179.166 176.094 0.028 0.000 1.057 726 V CA 2.160 64.501 62.300 0.067 0.000 1.032 726 V CB -1.405 30.471 31.823 0.088 0.000 0.645 726 V HN 0.636 nan 8.190 nan 0.000 0.447 727 A N -0.356 122.478 122.820 0.023 0.000 1.902 727 A HA -0.253 4.068 4.320 0.001 0.000 0.217 727 A C 2.299 179.885 177.584 0.003 0.000 1.181 727 A CA 2.122 54.163 52.037 0.007 0.000 0.623 727 A CB -0.457 18.547 19.000 0.007 0.000 0.818 727 A HN 0.567 nan 8.150 nan 0.000 0.443 728 K N -0.576 119.828 120.400 0.008 0.000 2.026 728 K HA -0.123 4.198 4.320 0.001 0.000 0.208 728 K C 2.225 178.823 176.600 -0.004 0.000 1.048 728 K CA 1.866 58.153 56.287 0.001 0.000 0.929 728 K CB -0.458 32.043 32.500 0.003 0.000 0.713 728 K HN 0.718 nan 8.250 nan 0.000 0.439 729 T N -1.219 113.334 114.554 -0.000 0.000 2.962 729 T HA -0.027 4.323 4.350 0.001 0.000 0.270 729 T C 1.755 176.449 174.700 -0.010 0.000 1.088 729 T CA 1.019 63.115 62.100 -0.006 0.000 1.127 729 T CB -0.075 68.791 68.868 -0.003 0.000 0.883 729 T HN 0.149 nan 8.240 nan 0.000 0.493 730 A N 0.463 123.278 122.820 -0.008 0.000 2.275 730 A HA 0.572 4.893 4.320 0.001 0.000 0.212 730 A C 1.149 178.723 177.584 -0.017 0.000 1.201 730 A CA -0.464 51.565 52.037 -0.014 0.000 0.843 730 A CB 0.099 19.090 19.000 -0.014 0.000 0.873 730 A HN 0.447 nan 8.150 nan 0.000 0.492 731 S N -0.810 114.880 115.700 -0.016 0.000 2.664 731 S HA 0.420 4.891 4.470 0.001 0.000 0.304 731 S C 0.351 174.938 174.600 -0.021 0.000 1.099 731 S CA -0.458 57.730 58.200 -0.020 0.000 1.003 731 S CB 1.536 64.724 63.200 -0.020 0.000 1.092 731 S HN 0.300 nan 8.310 nan 0.000 0.525 732 E N 0.496 120.682 120.200 -0.024 0.000 2.250 732 E HA 0.250 4.600 4.350 0.001 0.000 0.192 732 E C -0.148 176.437 176.600 -0.025 0.000 0.986 732 E CA 0.913 57.299 56.400 -0.023 0.000 0.849 732 E CB 0.164 29.849 29.700 -0.026 0.000 0.797 732 E HN 0.491 nan 8.360 nan 0.000 0.482 733 M N -0.441 119.141 119.600 -0.029 0.000 2.531 733 M HA 0.454 4.934 4.480 0.001 0.000 0.286 733 M C -1.357 174.925 176.300 -0.031 0.000 1.232 733 M CA -0.936 54.344 55.300 -0.032 0.000 0.877 733 M CB 3.130 35.704 32.600 -0.044 0.000 1.726 733 M HN -0.392 nan 8.290 nan 0.000 0.463 734 V N 2.879 122.777 119.914 -0.027 0.000 2.638 734 V HA 0.443 4.563 4.120 0.001 0.000 0.306 734 V C -0.613 175.465 176.094 -0.025 0.000 1.052 734 V CA -0.677 61.609 62.300 -0.022 0.000 0.885 734 V CB 2.136 33.951 31.823 -0.014 0.000 0.999 734 V HN 0.696 nan 8.190 nan 0.000 0.424 735 L N 4.144 125.351 121.223 -0.026 0.000 2.358 735 L HA 0.369 4.709 4.340 0.001 0.000 0.274 735 L C 1.724 178.589 176.870 -0.009 0.000 1.136 735 L CA -0.282 54.543 54.840 -0.026 0.000 0.970 735 L CB 0.670 42.708 42.059 -0.035 0.000 1.314 735 L HN 0.857 nan 8.230 nan 0.000 0.427 736 A N 2.152 124.967 122.820 -0.007 0.000 2.042 736 A HA -0.224 4.097 4.320 0.001 0.000 0.222 736 A C 1.604 179.191 177.584 0.004 0.000 1.167 736 A CA 2.059 54.095 52.037 -0.001 0.000 0.649 736 A CB -0.323 18.676 19.000 -0.001 0.000 0.809 736 A HN 0.842 nan 8.150 nan 0.000 0.457 737 D N -2.077 118.327 120.400 0.006 0.000 2.402 737 D HA 0.078 4.718 4.640 0.001 0.000 0.216 737 D C -0.361 175.953 176.300 0.022 0.000 1.128 737 D CA 0.359 54.367 54.000 0.013 0.000 0.833 737 D CB -0.450 40.358 40.800 0.013 0.000 0.971 737 D HN 0.284 nan 8.370 nan 0.000 0.503 738 D N 0.496 120.911 120.400 0.023 0.000 2.931 738 D HA -0.217 4.423 4.640 0.001 0.000 0.228 738 D C -0.313 176.027 176.300 0.067 0.000 1.180 738 D CA 0.647 54.672 54.000 0.042 0.000 0.784 738 D CB -1.486 39.337 40.800 0.039 0.000 1.093 738 D HN 0.423 nan 8.370 nan 0.000 0.421 739 N N -0.062 118.670 118.700 0.053 0.000 2.420 739 N HA 0.074 4.815 4.740 0.001 0.000 0.249 739 N C 0.772 176.339 175.510 0.096 0.000 1.033 739 N CA -0.322 52.773 53.050 0.075 0.000 0.944 739 N CB 0.254 38.768 38.487 0.044 0.000 1.113 739 N HN -0.094 nan 8.380 nan 0.000 0.502 740 F N 2.770 122.712 119.950 -0.013 0.000 2.192 740 F HA -0.191 4.336 4.527 0.001 0.000 0.301 740 F C 2.288 178.079 175.800 -0.014 0.000 1.079 740 F CA 1.248 59.239 58.000 -0.016 0.000 1.303 740 F CB 0.109 39.097 39.000 -0.020 0.000 1.024 740 F HN 0.490 nan 8.300 nan 0.000 0.494 741 S N -0.932 114.844 115.700 0.127 0.000 2.400 741 S HA -0.216 4.255 4.470 0.001 0.000 0.232 741 S C 1.964 176.550 174.600 -0.022 0.000 1.025 741 S CA 1.710 59.943 58.200 0.054 0.000 0.993 741 S CB -0.610 62.621 63.200 0.052 0.000 0.808 741 S HN 0.437 nan 8.310 nan 0.000 0.478 742 T N 2.360 116.887 114.554 -0.044 0.000 2.881 742 T HA 0.020 4.371 4.350 0.001 0.000 0.270 742 T C 1.617 176.250 174.700 -0.112 0.000 1.068 742 T CA 0.852 62.914 62.100 -0.064 0.000 1.131 742 T CB -0.354 68.481 68.868 -0.055 0.000 0.871 742 T HN 0.375 nan 8.240 nan 0.000 0.479 743 I N 0.705 121.153 120.570 -0.203 0.000 2.226 743 I HA -0.147 4.023 4.170 0.001 0.000 0.245 743 I C 2.394 178.419 176.117 -0.153 0.000 1.100 743 I CA 0.944 62.096 61.300 -0.245 0.000 1.374 743 I CB -0.391 37.319 38.000 -0.482 0.000 1.057 743 I HN 0.108 nan 8.210 nan 0.000 0.413 744 V N 1.026 120.872 119.914 -0.115 0.000 2.407 744 V HA -0.265 3.856 4.120 0.001 0.000 0.248 744 V C 2.693 178.761 176.094 -0.043 0.000 1.055 744 V CA 1.907 64.173 62.300 -0.056 0.000 1.049 744 V CB -1.048 30.765 31.823 -0.017 0.000 0.662 744 V HN 0.484 nan 8.190 nan 0.000 0.455 745 A N 0.063 122.858 122.820 -0.041 0.000 1.930 745 A HA -0.040 4.280 4.320 0.001 0.000 0.217 745 A C 2.408 179.971 177.584 -0.035 0.000 1.175 745 A CA 1.877 53.897 52.037 -0.029 0.000 0.627 745 A CB -0.676 18.310 19.000 -0.023 0.000 0.815 745 A HN 0.553 nan 8.150 nan 0.000 0.443 746 A N -0.616 122.173 122.820 -0.052 0.000 1.930 746 A HA 0.053 4.373 4.320 0.001 0.000 0.217 746 A C 2.196 179.752 177.584 -0.048 0.000 1.175 746 A CA 1.623 53.629 52.037 -0.052 0.000 0.627 746 A CB -0.771 18.189 19.000 -0.067 0.000 0.815 746 A HN 0.341 nan 8.150 nan 0.000 0.443 747 V N 0.079 119.961 119.914 -0.053 0.000 2.358 747 V HA -0.269 3.851 4.120 0.001 0.000 0.246 747 V C 2.537 178.613 176.094 -0.031 0.000 1.047 747 V CA 2.322 64.595 62.300 -0.046 0.000 1.035 747 V CB -0.648 31.146 31.823 -0.048 0.000 0.658 747 V HN 0.816 nan 8.190 nan 0.000 0.452 748 E N 0.142 120.327 120.200 -0.024 0.000 2.051 748 E HA -0.310 4.040 4.350 0.001 0.000 0.192 748 E C 2.162 178.756 176.600 -0.010 0.000 0.991 748 E CA 1.698 58.090 56.400 -0.012 0.000 0.799 748 E CB -0.096 29.599 29.700 -0.008 0.000 0.748 748 E HN 0.588 nan 8.360 nan 0.000 0.449 749 E N -0.060 120.130 120.200 -0.017 0.000 2.058 749 E HA -0.142 4.209 4.350 0.001 0.000 0.194 749 E C 1.907 178.499 176.600 -0.013 0.000 0.997 749 E CA 1.730 58.120 56.400 -0.018 0.000 0.801 749 E CB -0.814 28.870 29.700 -0.025 0.000 0.746 749 E HN 0.390 nan 8.360 nan 0.000 0.450 750 G N 0.063 108.854 108.800 -0.016 0.000 2.442 750 G HA2 -0.300 3.660 3.960 0.001 0.000 0.219 750 G HA3 -0.300 3.660 3.960 0.001 0.000 0.219 750 G C 1.643 176.555 174.900 0.019 0.000 1.141 750 G CA 0.909 46.005 45.100 -0.007 0.000 0.763 750 G HN 0.201 nan 8.290 nan 0.000 0.554 751 R N 0.263 120.770 120.500 0.012 0.000 2.090 751 R HA 0.145 4.486 4.340 0.001 0.000 0.228 751 R C 3.008 179.344 176.300 0.061 0.000 1.110 751 R CA 0.949 57.072 56.100 0.039 0.000 0.973 751 R CB -0.254 30.055 30.300 0.015 0.000 0.869 751 R HN 0.349 nan 8.270 nan 0.000 0.440 752 A N 1.368 124.204 122.820 0.027 0.000 1.898 752 A HA -0.097 4.223 4.320 0.001 0.000 0.216 752 A C 2.041 179.622 177.584 -0.003 0.000 1.181 752 A CA 0.965 53.008 52.037 0.011 0.000 0.620 752 A CB -0.250 18.749 19.000 -0.001 0.000 0.819 752 A HN 0.062 nan 8.150 nan 0.000 0.442 753 I N -1.519 119.051 120.570 -0.001 0.000 2.226 753 I HA -0.216 3.955 4.170 0.001 0.000 0.245 753 I C 2.388 178.497 176.117 -0.014 0.000 1.100 753 I CA 1.482 62.770 61.300 -0.020 0.000 1.374 753 I CB -1.517 36.478 38.000 -0.009 0.000 1.057 753 I HN 0.516 nan 8.210 nan 0.000 0.413 754 Y N 2.739 122.986 120.300 -0.088 0.000 2.145 754 Y HA -0.246 4.304 4.550 0.001 0.000 0.286 754 Y C 2.466 178.285 175.900 -0.134 0.000 1.145 754 Y CA 1.703 59.738 58.100 -0.109 0.000 1.148 754 Y CB -0.407 38.006 38.460 -0.078 0.000 0.981 754 Y HN 0.227 nan 8.280 nan 0.000 0.507 755 N N 0.559 119.217 118.700 -0.070 0.000 2.149 755 N HA -0.191 4.549 4.740 0.001 0.000 0.188 755 N C 1.310 176.688 175.510 -0.219 0.000 1.019 755 N CA 1.536 54.506 53.050 -0.133 0.000 0.857 755 N CB -0.500 37.972 38.487 -0.025 0.000 0.997 755 N HN 0.440 nan 8.380 nan 0.000 0.426 756 N N 0.570 119.150 118.700 -0.199 0.000 2.207 756 N HA 0.071 4.812 4.740 0.001 0.000 0.182 756 N C 1.807 177.034 175.510 -0.472 0.000 1.020 756 N CA 0.613 53.544 53.050 -0.198 0.000 0.858 756 N CB -0.222 38.211 38.487 -0.090 0.000 0.991 756 N HN 0.262 nan 8.380 nan 0.000 0.427 757 M N 0.583 119.790 119.600 -0.655 0.000 2.108 757 M HA -0.139 4.342 4.480 0.001 0.000 0.261 757 M C 1.985 177.568 176.300 -1.195 0.000 1.066 757 M CA 1.306 55.808 55.300 -1.330 0.000 1.107 757 M CB -0.195 31.978 32.600 -0.712 0.000 1.356 757 M HN 0.045 nan 8.290 nan 0.000 0.406 758 K N -0.178 119.716 120.400 -0.843 0.000 2.280 758 K HA -0.178 4.142 4.320 0.001 0.000 0.202 758 K C 1.998 178.353 176.600 -0.409 0.000 1.047 758 K CA 1.049 56.954 56.287 -0.637 0.000 0.942 758 K CB 0.250 32.386 32.500 -0.607 0.000 0.739 758 K HN 0.288 nan 8.250 nan 0.000 0.457 759 Q N -0.278 119.283 119.800 -0.397 0.000 2.063 759 Q HA -0.064 4.277 4.340 0.001 0.000 0.194 759 Q C 1.967 177.913 176.000 -0.091 0.000 0.974 759 Q CA 1.186 56.882 55.803 -0.177 0.000 0.827 759 Q CB -0.433 28.246 28.738 -0.100 0.000 0.902 759 Q HN 0.466 nan 8.270 nan 0.000 0.462 760 F N -0.339 119.584 119.950 -0.045 0.000 2.494 760 F HA 0.027 4.555 4.527 0.001 0.000 0.298 760 F C 1.740 177.538 175.800 -0.003 0.000 1.106 760 F CA 0.416 58.424 58.000 0.012 0.000 1.452 760 F CB -0.820 38.169 39.000 -0.019 0.000 1.085 760 F HN -0.054 nan 8.300 nan 0.000 0.569 761 I N 0.222 120.740 120.570 -0.088 0.000 2.480 761 I HA -0.108 4.063 4.170 0.001 0.000 0.251 761 I C 2.562 178.589 176.117 -0.149 0.000 1.124 761 I CA 0.735 61.984 61.300 -0.085 0.000 1.444 761 I CB -0.323 37.505 38.000 -0.287 0.000 1.098 761 I HN 0.038 nan 8.210 nan 0.000 0.428 762 R N -0.251 120.151 120.500 -0.165 0.000 2.075 762 R HA -0.202 4.139 4.340 0.001 0.000 0.232 762 R C 2.364 178.490 176.300 -0.291 0.000 1.126 762 R CA 1.588 57.531 56.100 -0.260 0.000 0.963 762 R CB -0.532 29.698 30.300 -0.116 0.000 0.858 762 R HN 0.289 nan 8.270 nan 0.000 0.435 763 Y N 1.641 121.836 120.300 -0.175 0.000 2.097 763 Y HA -0.228 4.322 4.550 0.001 0.000 0.282 763 Y C 1.868 177.696 175.900 -0.121 0.000 1.152 763 Y CA 1.557 59.590 58.100 -0.112 0.000 1.136 763 Y CB -0.395 38.065 38.460 0.000 0.000 0.975 763 Y HN -0.056 nan 8.280 nan 0.000 0.498 764 L N -0.373 120.752 121.223 -0.164 0.000 1.994 764 L HA -0.245 4.095 4.340 0.001 0.000 0.208 764 L C 2.514 179.231 176.870 -0.256 0.000 1.071 764 L CA 1.750 56.444 54.840 -0.244 0.000 0.745 764 L CB -0.620 41.410 42.059 -0.049 0.000 0.892 764 L HN 0.271 nan 8.230 nan 0.000 0.431 765 I N -1.023 119.403 120.570 -0.241 0.000 2.361 765 I HA -0.281 3.890 4.170 0.001 0.000 0.251 765 I C 2.816 178.780 176.117 -0.255 0.000 1.133 765 I CA 1.077 62.243 61.300 -0.223 0.000 1.413 765 I CB -0.255 37.561 38.000 -0.307 0.000 1.073 765 I HN 0.236 nan 8.210 nan 0.000 0.424 766 S N -0.008 115.450 115.700 -0.404 0.000 2.368 766 S HA -0.229 4.241 4.470 0.001 0.000 0.225 766 S C 2.289 176.727 174.600 -0.271 0.000 1.030 766 S CA 2.024 59.963 58.200 -0.435 0.000 0.999 766 S CB -0.270 62.551 63.200 -0.631 0.000 0.844 766 S HN 0.467 nan 8.310 nan 0.000 0.459 767 S N 1.235 116.748 115.700 -0.312 0.000 2.359 767 S HA -0.135 4.335 4.470 0.001 0.000 0.224 767 S C 1.629 176.141 174.600 -0.147 0.000 1.035 767 S CA 1.927 59.976 58.200 -0.251 0.000 1.018 767 S CB -0.848 62.138 63.200 -0.357 0.000 0.876 767 S HN 0.742 nan 8.310 nan 0.000 0.448 768 N N 0.380 119.005 118.700 -0.125 0.000 2.289 768 N HA -0.044 4.696 4.740 0.001 0.000 0.184 768 N C 1.540 177.020 175.510 -0.049 0.000 1.016 768 N CA 1.175 54.191 53.050 -0.057 0.000 0.872 768 N CB -0.221 38.263 38.487 -0.004 0.000 0.973 768 N HN 0.240 nan 8.380 nan 0.000 0.433 769 V N 0.187 120.055 119.914 -0.076 0.000 2.307 769 V HA -0.141 3.979 4.120 0.001 0.000 0.245 769 V C 2.394 178.455 176.094 -0.056 0.000 1.045 769 V CA 2.104 64.359 62.300 -0.074 0.000 1.024 769 V CB -1.222 30.534 31.823 -0.111 0.000 0.651 769 V HN 0.420 nan 8.190 nan 0.000 0.449 770 G N -0.610 108.157 108.800 -0.056 0.000 2.418 770 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 770 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 770 G C 1.455 176.346 174.900 -0.015 0.000 1.158 770 G CA 0.860 45.942 45.100 -0.031 0.000 0.771 770 G HN 0.563 nan 8.290 nan 0.000 0.545 771 E N -0.200 119.988 120.200 -0.020 0.000 2.118 771 E HA -0.104 4.246 4.350 0.001 0.000 0.195 771 E C 2.670 179.279 176.600 0.014 0.000 0.992 771 E CA 1.018 57.417 56.400 -0.002 0.000 0.804 771 E CB -0.068 29.629 29.700 -0.005 0.000 0.741 771 E HN 0.345 nan 8.360 nan 0.000 0.458 772 V N 0.438 120.355 119.914 0.005 0.000 2.488 772 V HA -0.173 3.947 4.120 0.001 0.000 0.246 772 V C 2.227 178.356 176.094 0.057 0.000 1.046 772 V CA 0.955 63.264 62.300 0.016 0.000 1.053 772 V CB -0.089 31.720 31.823 -0.023 0.000 0.679 772 V HN 0.127 nan 8.190 nan 0.000 0.458 773 V N -0.582 119.358 119.914 0.044 0.000 2.295 773 V HA -0.314 3.807 4.120 0.001 0.000 0.246 773 V C 2.593 178.765 176.094 0.131 0.000 1.049 773 V CA 2.208 64.565 62.300 0.095 0.000 1.024 773 V CB -0.725 31.126 31.823 0.047 0.000 0.648 773 V HN 0.780 nan 8.190 nan 0.000 0.447 774 C N 0.509 119.852 119.300 0.072 0.000 2.413 774 C HA -0.188 4.272 4.460 0.001 0.000 0.278 774 C C 2.610 177.647 174.990 0.079 0.000 1.224 774 C CA 1.143 60.197 59.018 0.059 0.000 1.732 774 C CB -1.065 26.694 27.740 0.032 0.000 2.050 774 C HN 0.528 nan 8.230 nan 0.000 0.463 775 I N 0.500 121.120 120.570 0.083 0.000 2.315 775 I HA -0.142 4.028 4.170 0.001 0.000 0.251 775 I C 2.296 178.490 176.117 0.128 0.000 1.125 775 I CA 1.768 63.119 61.300 0.084 0.000 1.392 775 I CB -1.701 36.341 38.000 0.071 0.000 1.065 775 I HN 0.409 nan 8.210 nan 0.000 0.424 776 F N 1.207 121.160 119.950 0.005 0.000 2.234 776 F HA -0.068 4.459 4.527 0.001 0.000 0.296 776 F C 2.309 178.126 175.800 0.029 0.000 1.089 776 F CA 1.217 59.224 58.000 0.013 0.000 1.343 776 F CB -0.222 38.785 39.000 0.012 0.000 1.040 776 F HN -0.107 nan 8.300 nan 0.000 0.498 777 L N -0.969 120.254 121.223 -0.000 0.000 2.072 777 L HA -0.139 4.202 4.340 0.001 0.000 0.205 777 L C 2.039 178.874 176.870 -0.058 0.000 1.079 777 L CA 1.649 56.446 54.840 -0.071 0.000 0.752 777 L CB -0.865 41.209 42.059 0.025 0.000 0.906 777 L HN 0.039 nan 8.230 nan 0.000 0.436 778 T N -1.044 113.509 114.554 -0.002 0.000 3.509 778 T HA 0.276 4.627 4.350 0.001 0.000 0.250 778 T C 0.768 175.485 174.700 0.027 0.000 1.076 778 T CA 0.726 62.841 62.100 0.025 0.000 0.966 778 T CB -0.062 68.834 68.868 0.047 0.000 1.046 778 T HN 0.411 nan 8.240 nan 0.000 0.591 779 A N -0.663 122.135 122.820 -0.036 0.000 1.857 779 A HA 0.723 5.044 4.320 0.001 0.000 0.198 779 A C 2.127 179.669 177.584 -0.071 0.000 1.775 779 A CA 0.662 52.688 52.037 -0.019 0.000 1.281 779 A CB -0.719 18.246 19.000 -0.059 0.000 1.355 779 A HN 0.484 nan 8.150 nan 0.000 0.417 780 A N -0.217 122.458 122.820 -0.242 0.000 1.898 780 A HA 0.261 4.581 4.320 0.001 0.000 0.214 780 A C 1.499 179.006 177.584 -0.128 0.000 1.183 780 A CA 1.302 53.182 52.037 -0.263 0.000 0.622 780 A CB -0.416 18.252 19.000 -0.554 0.000 0.824 780 A HN 0.375 nan 8.150 nan 0.000 0.444 781 L N -0.060 121.107 121.223 -0.094 0.000 2.627 781 L HA 0.215 4.555 4.340 0.001 0.000 0.233 781 L C 1.755 178.602 176.870 -0.038 0.000 1.144 781 L CA 0.915 55.745 54.840 -0.017 0.000 0.892 781 L CB -0.893 41.199 42.059 0.054 0.000 1.039 781 L HN 0.569 nan 8.230 nan 0.000 0.442 782 G N -0.570 108.209 108.800 -0.034 0.000 2.212 782 G HA2 -0.316 3.645 3.960 0.001 0.000 0.267 782 G HA3 -0.316 3.645 3.960 0.001 0.000 0.267 782 G C 0.588 175.536 174.900 0.081 0.000 1.002 782 G CA 0.554 45.633 45.100 -0.035 0.000 0.729 782 G HN 0.350 nan 8.290 nan 0.000 0.517 783 L N 1.072 122.341 121.223 0.076 0.000 2.476 783 L HA 0.373 4.713 4.340 0.001 0.000 0.255 783 L C -1.090 175.850 176.870 0.116 0.000 1.218 783 L CA -1.855 53.030 54.840 0.075 0.000 0.819 783 L CB 0.247 42.317 42.059 0.019 0.000 1.119 783 L HN 0.004 nan 8.230 nan 0.000 0.485 784 P HA 0.056 nan 4.420 nan 0.000 0.278 784 P C -0.987 176.278 177.300 -0.058 0.000 1.238 784 P CA -0.539 62.298 63.100 -0.438 0.000 0.794 784 P CB 0.595 31.765 31.700 -0.884 0.000 0.955 785 E N 1.443 121.648 120.200 0.008 0.000 2.868 785 E HA -0.065 4.285 4.350 0.001 0.000 0.246 785 E C 1.170 177.796 176.600 0.043 0.000 0.962 785 E CA 0.458 56.886 56.400 0.047 0.000 0.955 785 E CB 0.128 29.861 29.700 0.056 0.000 0.903 785 E HN 0.469 nan 8.360 nan 0.000 0.524 786 A N 4.554 127.401 122.820 0.045 0.000 1.984 786 A HA 0.137 4.457 4.320 0.001 0.000 0.214 786 A C 0.791 178.387 177.584 0.019 0.000 1.173 786 A CA 0.551 52.609 52.037 0.035 0.000 0.673 786 A CB 0.496 19.520 19.000 0.040 0.000 0.830 786 A HN 0.497 nan 8.150 nan 0.000 0.453 787 L N 0.183 121.424 121.223 0.030 0.000 2.472 787 L HA 0.530 4.870 4.340 0.001 0.000 0.260 787 L C -0.945 175.950 176.870 0.041 0.000 0.963 787 L CA -0.785 54.076 54.840 0.036 0.000 0.829 787 L CB 2.337 44.420 42.059 0.039 0.000 1.348 787 L HN 0.421 nan 8.230 nan 0.000 0.408 788 I N -0.809 119.790 120.570 0.047 0.000 2.797 788 I HA 0.538 4.708 4.170 0.001 0.000 0.307 788 I C -1.814 174.335 176.117 0.053 0.000 1.033 788 I CA -2.119 59.206 61.300 0.042 0.000 1.071 788 I CB 1.999 40.016 38.000 0.028 0.000 1.255 788 I HN 0.355 nan 8.210 nan 0.000 0.445 789 P HA -0.196 nan 4.420 nan 0.000 0.217 789 P C 1.645 178.985 177.300 0.067 0.000 1.151 789 P CA 1.485 64.616 63.100 0.052 0.000 0.849 789 P CB 0.057 31.780 31.700 0.039 0.000 0.787 790 V N 0.205 120.139 119.914 0.033 0.000 2.490 790 V HA -0.226 3.894 4.120 0.001 0.000 0.250 790 V C 2.832 179.007 176.094 0.135 0.000 1.061 790 V CA 1.867 64.163 62.300 -0.007 0.000 1.064 790 V CB -1.445 30.274 31.823 -0.173 0.000 0.670 790 V HN 0.145 nan 8.190 nan 0.000 0.461 791 Q N -0.433 119.477 119.800 0.184 0.000 2.096 791 Q HA -0.028 4.312 4.340 0.001 0.000 0.197 791 Q C 2.313 178.486 176.000 0.289 0.000 0.964 791 Q CA 1.236 57.223 55.803 0.307 0.000 0.838 791 Q CB -0.163 28.694 28.738 0.198 0.000 0.906 791 Q HN 0.543 nan 8.270 nan 0.000 0.444 792 L N 0.321 121.654 121.223 0.184 0.000 2.017 792 L HA -0.207 4.133 4.340 0.001 0.000 0.208 792 L C 2.299 179.266 176.870 0.162 0.000 1.073 792 L CA 1.016 55.942 54.840 0.142 0.000 0.745 792 L CB -0.523 41.589 42.059 0.088 0.000 0.894 792 L HN 0.264 nan 8.230 nan 0.000 0.432 793 L N -1.046 120.285 121.223 0.180 0.000 2.081 793 L HA -0.294 4.047 4.340 0.001 0.000 0.212 793 L C 2.516 179.522 176.870 0.225 0.000 1.080 793 L CA 1.561 56.505 54.840 0.173 0.000 0.754 793 L CB -0.649 41.514 42.059 0.174 0.000 0.893 793 L HN 0.565 nan 8.230 nan 0.000 0.433 794 W N 0.347 121.754 121.300 0.180 0.000 2.388 794 W HA -0.153 4.507 4.660 0.001 0.000 0.294 794 W C 2.049 178.630 176.519 0.103 0.000 1.212 794 W CA 1.474 58.934 57.345 0.193 0.000 1.271 794 W CB 0.032 29.683 29.460 0.317 0.000 1.126 794 W HN -0.045 nan 8.180 nan 0.000 0.535 795 V N 1.839 121.856 119.914 0.171 0.000 2.323 795 V HA -0.306 3.814 4.120 0.001 0.000 0.244 795 V C 1.745 177.806 176.094 -0.056 0.000 1.041 795 V CA 2.079 64.403 62.300 0.039 0.000 1.025 795 V CB -0.977 30.896 31.823 0.084 0.000 0.656 795 V HN 0.092 nan 8.190 nan 0.000 0.451 796 N N -0.328 118.358 118.700 -0.024 0.000 2.521 796 N HA 0.038 4.778 4.740 0.001 0.000 0.188 796 N C 1.065 176.531 175.510 -0.072 0.000 1.146 796 N CA 0.585 53.607 53.050 -0.046 0.000 0.893 796 N CB 0.518 38.997 38.487 -0.014 0.000 0.975 796 N HN 0.319 nan 8.380 nan 0.000 0.451 797 L N -1.300 119.848 121.223 -0.125 0.000 2.624 797 L HA 0.224 4.564 4.340 0.001 0.000 0.222 797 L C 1.653 178.357 176.870 -0.277 0.000 1.046 797 L CA 0.493 55.237 54.840 -0.159 0.000 0.872 797 L CB 0.235 42.229 42.059 -0.109 0.000 1.190 797 L HN -0.162 nan 8.230 nan 0.000 0.487 798 V N -2.385 117.236 119.914 -0.489 0.000 2.950 798 V HA 0.005 4.125 4.120 0.001 0.000 0.231 798 V C 2.119 177.979 176.094 -0.391 0.000 1.205 798 V CA 1.272 63.222 62.300 -0.582 0.000 1.239 798 V CB -0.156 30.936 31.823 -1.219 0.000 1.050 798 V HN 0.229 nan 8.190 nan 0.000 0.498 799 T N 0.951 115.248 114.554 -0.428 0.000 2.624 799 T HA -0.248 4.103 4.350 0.001 0.000 0.268 799 T C 1.361 176.033 174.700 -0.048 0.000 1.041 799 T CA 2.321 64.333 62.100 -0.147 0.000 1.159 799 T CB -0.312 68.527 68.868 -0.048 0.000 0.863 799 T HN 0.435 nan 8.240 nan 0.000 0.434 800 D N -0.008 120.370 120.400 -0.038 0.000 2.366 800 D HA 0.192 4.832 4.640 0.001 0.000 0.205 800 D C 2.273 178.610 176.300 0.062 0.000 1.022 800 D CA 0.551 54.606 54.000 0.091 0.000 0.868 800 D CB -0.689 40.132 40.800 0.034 0.000 0.953 800 D HN 0.443 nan 8.370 nan 0.000 0.514 801 G N 1.619 110.384 108.800 -0.058 0.000 2.476 801 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 801 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 801 G C 1.527 176.379 174.900 -0.079 0.000 1.164 801 G CA 0.401 45.447 45.100 -0.091 0.000 0.768 801 G HN 0.162 nan 8.290 nan 0.000 0.560 802 L N 1.282 122.468 121.223 -0.063 0.000 1.994 802 L HA -0.015 4.325 4.340 0.001 0.000 0.208 802 L C 0.396 177.256 176.870 -0.018 0.000 1.071 802 L CA 1.867 56.686 54.840 -0.034 0.000 0.745 802 L CB -2.127 39.922 42.059 -0.017 0.000 0.892 802 L HN 0.155 nan 8.230 nan 0.000 0.431 803 P HA -0.145 nan 4.420 nan 0.000 0.216 803 P C 1.621 178.855 177.300 -0.109 0.000 1.150 803 P CA 1.864 64.924 63.100 -0.066 0.000 0.843 803 P CB 0.034 31.685 31.700 -0.081 0.000 0.787 804 A N -1.025 121.777 122.820 -0.030 0.000 1.877 804 A HA -0.181 4.140 4.320 0.001 0.000 0.216 804 A C 2.271 179.744 177.584 -0.185 0.000 1.186 804 A CA 2.410 54.427 52.037 -0.034 0.000 0.620 804 A CB -1.876 17.101 19.000 -0.038 0.000 0.822 804 A HN 0.137 nan 8.150 nan 0.000 0.443 805 T N 0.370 114.799 114.554 -0.208 0.000 2.759 805 T HA -0.059 4.292 4.350 0.001 0.000 0.269 805 T C 2.118 176.826 174.700 0.014 0.000 1.042 805 T CA 1.592 63.579 62.100 -0.188 0.000 1.140 805 T CB -0.410 68.391 68.868 -0.112 0.000 0.864 805 T HN 0.596 nan 8.240 nan 0.000 0.455 806 A N 0.817 123.683 122.820 0.077 0.000 2.015 806 A HA 0.105 4.425 4.320 0.001 0.000 0.219 806 A C 2.230 179.927 177.584 0.189 0.000 1.163 806 A CA 0.904 53.058 52.037 0.195 0.000 0.646 806 A CB -0.676 18.412 19.000 0.146 0.000 0.806 806 A HN 0.484 nan 8.150 nan 0.000 0.448 807 L N -0.784 120.501 121.223 0.104 0.000 2.201 807 L HA -0.079 4.262 4.340 0.001 0.000 0.212 807 L C 2.519 179.487 176.870 0.163 0.000 1.105 807 L CA 0.795 55.704 54.840 0.116 0.000 0.775 807 L CB -0.425 41.698 42.059 0.107 0.000 0.913 807 L HN 0.491 nan 8.230 nan 0.000 0.440 808 G N -1.355 107.559 108.800 0.191 0.000 2.708 808 G HA2 -0.198 3.763 3.960 0.001 0.000 0.210 808 G HA3 -0.198 3.763 3.960 0.001 0.000 0.210 808 G C 0.915 175.703 174.900 -0.187 0.000 1.141 808 G CA 0.039 45.187 45.100 0.081 0.000 0.788 808 G HN 0.268 nan 8.290 nan 0.000 0.531 809 F N 0.499 120.417 119.950 -0.054 0.000 2.653 809 F HA 0.316 4.844 4.527 0.001 0.000 0.304 809 F C 0.743 176.532 175.800 -0.017 0.000 1.092 809 F CA -1.122 56.808 58.000 -0.116 0.000 1.279 809 F CB 0.176 39.003 39.000 -0.288 0.000 1.044 809 F HN -0.096 nan 8.300 nan 0.000 0.564 810 N N 3.225 122.011 118.700 0.142 0.000 2.454 810 N HA 0.041 4.782 4.740 0.001 0.000 0.254 810 N C -2.410 173.155 175.510 0.092 0.000 1.228 810 N CA -0.908 52.208 53.050 0.110 0.000 0.900 810 N CB 0.045 38.567 38.487 0.058 0.000 1.089 810 N HN -0.008 nan 8.380 nan 0.000 0.449 811 P HA 0.133 nan 4.420 nan 0.000 0.271 811 P C -2.333 174.998 177.300 0.052 0.000 1.220 811 P CA -0.807 62.343 63.100 0.083 0.000 0.768 811 P CB 0.019 31.773 31.700 0.089 0.000 0.848 812 P HA 0.129 nan 4.420 nan 0.000 0.272 812 P C -0.217 177.100 177.300 0.029 0.000 1.230 812 P CA -0.029 63.088 63.100 0.028 0.000 0.788 812 P CB 0.799 32.512 31.700 0.022 0.000 0.949 813 D N 0.733 121.147 120.400 0.024 0.000 2.372 813 D HA 0.039 4.680 4.640 0.001 0.000 0.243 813 D C 1.406 177.720 176.300 0.023 0.000 1.297 813 D CA -0.174 53.840 54.000 0.024 0.000 0.958 813 D CB 0.446 41.259 40.800 0.021 0.000 1.114 813 D HN 0.157 nan 8.370 nan 0.000 0.496 814 L N 0.097 121.333 121.223 0.022 0.000 2.221 814 L HA -0.021 4.320 4.340 0.001 0.000 0.202 814 L C 1.615 178.495 176.870 0.017 0.000 1.074 814 L CA 0.808 55.660 54.840 0.020 0.000 0.795 814 L CB -0.479 41.592 42.059 0.020 0.000 0.960 814 L HN 0.404 nan 8.230 nan 0.000 0.458 815 D N 0.058 120.468 120.400 0.015 0.000 2.352 815 D HA -0.086 4.555 4.640 0.001 0.000 0.236 815 D C 1.893 178.201 176.300 0.013 0.000 1.148 815 D CA 0.069 54.077 54.000 0.013 0.000 0.844 815 D CB -0.188 40.619 40.800 0.012 0.000 0.933 815 D HN 0.409 nan 8.370 nan 0.000 0.507 816 I N -0.218 120.361 120.570 0.015 0.000 2.208 816 I HA -0.269 3.902 4.170 0.001 0.000 0.245 816 I C 1.562 177.685 176.117 0.010 0.000 1.097 816 I CA 1.128 62.437 61.300 0.015 0.000 1.363 816 I CB 0.139 38.149 38.000 0.016 0.000 1.051 816 I HN -0.069 nan 8.210 nan 0.000 0.413 817 M N -0.325 119.280 119.600 0.008 0.000 2.495 817 M HA 0.023 4.504 4.480 0.001 0.000 0.237 817 M C 0.577 176.881 176.300 0.006 0.000 1.131 817 M CA 0.908 56.211 55.300 0.005 0.000 1.032 817 M CB -0.913 31.689 32.600 0.005 0.000 1.513 817 M HN 0.171 nan 8.290 nan 0.000 0.488 818 D N -0.089 120.316 120.400 0.007 0.000 2.340 818 D HA 0.130 4.770 4.640 0.001 0.000 0.217 818 D C 0.566 176.870 176.300 0.006 0.000 1.081 818 D CA 0.194 54.198 54.000 0.007 0.000 0.842 818 D CB 0.739 41.544 40.800 0.008 0.000 0.934 818 D HN 0.100 nan 8.370 nan 0.000 0.511 819 R N 0.806 121.310 120.500 0.006 0.000 2.787 819 R HA 0.409 4.749 4.340 0.001 0.000 0.271 819 R C -2.478 173.824 176.300 0.003 0.000 0.993 819 R CA -2.004 54.099 56.100 0.006 0.000 0.993 819 R CB 1.585 31.891 30.300 0.009 0.000 1.155 819 R HN -0.036 nan 8.270 nan 0.000 0.486 820 P HA 0.199 nan 4.420 nan 0.000 0.274 820 P C -2.616 174.680 177.300 -0.006 0.000 1.246 820 P CA -1.345 61.754 63.100 -0.002 0.000 0.795 820 P CB -0.203 31.497 31.700 -0.000 0.000 1.006 821 P HA 0.087 nan 4.420 nan 0.000 0.266 821 P C 0.094 177.378 177.300 -0.026 0.000 1.195 821 P CA 0.143 63.227 63.100 -0.026 0.000 0.768 821 P CB 0.248 31.931 31.700 -0.028 0.000 0.838 822 R N 1.212 121.686 120.500 -0.043 0.000 2.539 822 R HA 0.386 4.726 4.340 0.001 0.000 0.275 822 R C 0.176 176.450 176.300 -0.043 0.000 1.077 822 R CA -0.506 55.573 56.100 -0.035 0.000 1.097 822 R CB 0.312 30.585 30.300 -0.046 0.000 1.018 822 R HN 0.317 nan 8.270 nan 0.000 0.483 823 S N 2.443 118.133 115.700 -0.017 0.000 2.549 823 S HA 0.092 4.562 4.470 0.001 0.000 0.286 823 S C -1.560 173.023 174.600 -0.027 0.000 1.314 823 S CA -1.358 56.835 58.200 -0.011 0.000 1.062 823 S CB 0.763 63.968 63.200 0.009 0.000 0.865 823 S HN 0.626 nan 8.310 nan 0.000 0.498 824 P HA -0.011 nan 4.420 nan 0.000 0.218 824 P C 0.743 178.036 177.300 -0.011 0.000 1.149 824 P CA 0.933 64.009 63.100 -0.039 0.000 0.817 824 P CB 0.168 31.853 31.700 -0.026 0.000 0.785 825 K N -0.089 120.316 120.400 0.008 0.000 2.487 825 K HA 0.012 4.332 4.320 0.001 0.000 0.192 825 K C 0.620 177.243 176.600 0.038 0.000 1.027 825 K CA 0.035 56.337 56.287 0.025 0.000 1.054 825 K CB -0.606 31.909 32.500 0.026 0.000 0.824 825 K HN 0.374 nan 8.250 nan 0.000 0.510 826 E N 3.869 124.092 120.200 0.038 0.000 2.493 826 E HA -0.022 4.328 4.350 0.001 0.000 0.255 826 E C -2.024 174.624 176.600 0.080 0.000 0.999 826 E CA -1.297 55.138 56.400 0.058 0.000 0.934 826 E CB 0.447 30.184 29.700 0.062 0.000 0.940 826 E HN -0.016 nan 8.360 nan 0.000 0.473 827 P HA -0.006 nan 4.420 nan 0.000 0.275 827 P C 0.671 178.027 177.300 0.094 0.000 1.227 827 P CA -0.007 63.147 63.100 0.089 0.000 0.781 827 P CB 0.989 32.744 31.700 0.091 0.000 0.906 828 L N 2.433 123.702 121.223 0.076 0.000 2.131 828 L HA 0.042 4.382 4.340 0.001 0.000 0.210 828 L C 1.475 178.384 176.870 0.065 0.000 1.092 828 L CA 1.289 56.152 54.840 0.037 0.000 0.759 828 L CB -0.157 41.880 42.059 -0.036 0.000 0.903 828 L HN 0.458 nan 8.230 nan 0.000 0.435 829 I N -0.980 119.656 120.570 0.109 0.000 2.710 829 I HA 0.357 4.527 4.170 0.001 0.000 0.290 829 I C -1.043 175.216 176.117 0.236 0.000 1.318 829 I CA -0.201 61.203 61.300 0.173 0.000 1.045 829 I CB 1.808 39.918 38.000 0.184 0.000 1.307 829 I HN 0.021 nan 8.210 nan 0.000 0.424 830 S N 4.305 120.154 115.700 0.248 0.000 2.656 830 S HA 0.857 5.327 4.470 0.001 0.000 0.265 830 S C 0.083 174.820 174.600 0.229 0.000 1.132 830 S CA -0.088 58.262 58.200 0.251 0.000 0.819 830 S CB 0.730 64.011 63.200 0.134 0.000 1.119 830 S HN 2.213 nan 8.310 nan 0.000 0.476 831 G N 1.452 110.347 108.800 0.158 0.000 2.583 831 G HA2 -0.375 3.586 3.960 0.001 0.000 0.292 831 G HA3 -0.375 3.586 3.960 0.001 0.000 0.292 831 G C 0.845 175.935 174.900 0.317 0.000 1.203 831 G CA 0.660 45.872 45.100 0.186 0.000 0.987 831 G HN 1.468 nan 8.290 nan 0.000 0.554 832 W N 0.330 121.709 121.300 0.131 0.000 2.358 832 W HA -0.026 4.635 4.660 0.001 0.000 0.303 832 W C 2.432 179.062 176.519 0.185 0.000 1.208 832 W CA 2.059 59.497 57.345 0.155 0.000 1.274 832 W CB -0.321 29.189 29.460 0.084 0.000 1.138 832 W HN 0.494 nan 8.180 nan 0.000 0.515 833 L N 0.949 122.238 121.223 0.109 0.000 2.127 833 L HA -0.209 4.132 4.340 0.001 0.000 0.211 833 L C 2.400 179.256 176.870 -0.022 0.000 1.089 833 L CA 2.057 56.851 54.840 -0.077 0.000 0.757 833 L CB -1.463 40.645 42.059 0.083 0.000 0.899 833 L HN 0.043 nan 8.230 nan 0.000 0.434 834 F N -0.824 119.132 119.950 0.009 0.000 2.026 834 F HA -0.313 4.214 4.527 0.001 0.000 0.296 834 F C 2.289 178.080 175.800 -0.015 0.000 1.133 834 F CA 2.152 60.185 58.000 0.055 0.000 1.188 834 F CB -0.670 38.386 39.000 0.092 0.000 0.968 834 F HN 0.171 nan 8.300 nan 0.000 0.476 835 F N 1.383 121.381 119.950 0.080 0.000 2.095 835 F HA -0.198 4.329 4.527 0.001 0.000 0.298 835 F C 2.755 178.287 175.800 -0.446 0.000 1.104 835 F CA 2.180 60.092 58.000 -0.147 0.000 1.232 835 F CB -0.724 38.169 39.000 -0.179 0.000 0.987 835 F HN -0.050 nan 8.300 nan 0.000 0.475 836 R N -0.891 119.187 120.500 -0.704 0.000 2.103 836 R HA -0.250 4.091 4.340 0.001 0.000 0.242 836 R C 2.037 177.990 176.300 -0.577 0.000 1.142 836 R CA 2.251 57.851 56.100 -0.833 0.000 0.960 836 R CB -0.818 28.913 30.300 -0.948 0.000 0.858 836 R HN 0.478 nan 8.270 nan 0.000 0.439 837 Y N -1.162 118.912 120.300 -0.377 0.000 2.511 837 Y HA -0.032 4.518 4.550 0.001 0.000 0.279 837 Y C 2.026 177.705 175.900 -0.368 0.000 1.157 837 Y CA -0.109 57.807 58.100 -0.308 0.000 1.300 837 Y CB 0.306 38.620 38.460 -0.245 0.000 1.052 837 Y HN 0.146 nan 8.280 nan 0.000 0.529 838 M N -0.030 119.359 119.600 -0.352 0.000 2.288 838 M HA -0.010 4.471 4.480 0.001 0.000 0.266 838 M C 2.065 178.151 176.300 -0.357 0.000 1.072 838 M CA 1.533 56.596 55.300 -0.395 0.000 1.132 838 M CB -0.187 32.155 32.600 -0.431 0.000 1.386 838 M HN 0.140 nan 8.290 nan 0.000 0.432 839 A N 0.223 122.757 122.820 -0.476 0.000 1.855 839 A HA 0.007 4.327 4.320 0.001 0.000 0.213 839 A C 1.911 179.398 177.584 -0.162 0.000 1.195 839 A CA 1.188 53.003 52.037 -0.371 0.000 0.610 839 A CB -0.781 17.919 19.000 -0.499 0.000 0.837 839 A HN 0.449 nan 8.150 nan 0.000 0.444 840 I N 0.637 121.123 120.570 -0.140 0.000 2.315 840 I HA -0.248 3.923 4.170 0.001 0.000 0.251 840 I C 2.519 178.657 176.117 0.034 0.000 1.125 840 I CA 1.617 62.905 61.300 -0.020 0.000 1.392 840 I CB -2.012 36.014 38.000 0.044 0.000 1.065 840 I HN 0.368 nan 8.210 nan 0.000 0.424 841 G N 0.651 109.435 108.800 -0.027 0.000 2.414 841 G HA2 -0.128 3.832 3.960 0.001 0.000 0.215 841 G HA3 -0.128 3.832 3.960 0.001 0.000 0.215 841 G C 1.775 176.671 174.900 -0.007 0.000 1.188 841 G CA 0.760 45.840 45.100 -0.033 0.000 0.783 841 G HN 0.451 nan 8.290 nan 0.000 0.537 842 G N -0.117 108.671 108.800 -0.021 0.000 2.469 842 G HA2 -0.318 3.643 3.960 0.001 0.000 0.219 842 G HA3 -0.318 3.643 3.960 0.001 0.000 0.219 842 G C 1.632 176.558 174.900 0.044 0.000 1.150 842 G CA 1.251 46.355 45.100 0.005 0.000 0.763 842 G HN 0.413 nan 8.290 nan 0.000 0.561 843 Y N 1.260 121.528 120.300 -0.053 0.000 2.070 843 Y HA -0.174 4.376 4.550 0.001 0.000 0.280 843 Y C 2.962 178.847 175.900 -0.024 0.000 1.148 843 Y CA 1.841 59.919 58.100 -0.037 0.000 1.125 843 Y CB -0.532 37.902 38.460 -0.044 0.000 0.975 843 Y HN 0.037 nan 8.280 nan 0.000 0.492 844 V N 0.086 120.033 119.914 0.054 0.000 2.380 844 V HA -0.320 3.801 4.120 0.001 0.000 0.251 844 V C 2.553 178.601 176.094 -0.076 0.000 1.063 844 V CA 1.974 64.256 62.300 -0.029 0.000 1.055 844 V CB -1.639 30.199 31.823 0.025 0.000 0.657 844 V HN 0.657 nan 8.190 nan 0.000 0.455 845 G N -0.984 107.791 108.800 -0.042 0.000 2.471 845 G HA2 -0.044 3.916 3.960 0.001 0.000 0.219 845 G HA3 -0.044 3.916 3.960 0.001 0.000 0.219 845 G C 1.574 176.448 174.900 -0.042 0.000 1.125 845 G CA 0.971 46.058 45.100 -0.021 0.000 0.775 845 G HN 0.627 nan 8.290 nan 0.000 0.548 846 A N 0.598 123.354 122.820 -0.105 0.000 1.973 846 A HA 0.618 4.938 4.320 0.001 0.000 0.210 846 A C 2.648 180.123 177.584 -0.181 0.000 1.200 846 A CA 1.365 53.331 52.037 -0.119 0.000 0.707 846 A CB -0.430 18.495 19.000 -0.126 0.000 0.862 846 A HN 0.542 nan 8.150 nan 0.000 0.461 847 A N 0.243 122.867 122.820 -0.327 0.000 1.972 847 A HA -0.078 4.243 4.320 0.001 0.000 0.219 847 A C 2.375 179.864 177.584 -0.158 0.000 1.169 847 A CA 2.453 54.294 52.037 -0.325 0.000 0.635 847 A CB -1.126 17.589 19.000 -0.476 0.000 0.810 847 A HN 0.666 nan 8.150 nan 0.000 0.446 848 T N -3.075 111.414 114.554 -0.109 0.000 2.809 848 T HA -0.042 4.308 4.350 0.001 0.000 0.260 848 T C 1.704 176.396 174.700 -0.013 0.000 1.039 848 T CA 1.312 63.381 62.100 -0.051 0.000 1.141 848 T CB -0.756 68.093 68.868 -0.032 0.000 0.869 848 T HN 0.050 nan 8.240 nan 0.000 0.437 849 V N 2.078 121.992 119.914 -0.002 0.000 2.358 849 V HA 0.043 4.164 4.120 0.001 0.000 0.246 849 V C 3.102 179.240 176.094 0.073 0.000 1.047 849 V CA 1.819 64.144 62.300 0.042 0.000 1.035 849 V CB -1.479 30.371 31.823 0.044 0.000 0.658 849 V HN 0.687 nan 8.190 nan 0.000 0.452 850 G N -0.301 108.523 108.800 0.040 0.000 2.422 850 G HA2 -0.175 3.785 3.960 0.001 0.000 0.218 850 G HA3 -0.175 3.785 3.960 0.001 0.000 0.218 850 G C 1.729 176.706 174.900 0.128 0.000 1.146 850 G CA 0.925 46.070 45.100 0.075 0.000 0.769 850 G HN 0.601 nan 8.290 nan 0.000 0.547 851 A N 0.805 123.659 122.820 0.057 0.000 2.019 851 A HA 0.354 4.674 4.320 0.001 0.000 0.219 851 A C 2.676 180.375 177.584 0.193 0.000 1.164 851 A CA 2.071 54.158 52.037 0.083 0.000 0.644 851 A CB -0.430 18.555 19.000 -0.025 0.000 0.805 851 A HN 0.654 nan 8.150 nan 0.000 0.449 852 A N -0.363 122.537 122.820 0.134 0.000 1.878 852 A HA 0.371 4.692 4.320 0.001 0.000 0.213 852 A C 2.457 180.168 177.584 0.213 0.000 1.192 852 A CA 1.429 53.527 52.037 0.101 0.000 0.619 852 A CB -0.941 18.108 19.000 0.082 0.000 0.837 852 A HN 0.949 nan 8.150 nan 0.000 0.446 853 A N -1.363 121.630 122.820 0.287 0.000 1.972 853 A HA -0.159 4.162 4.320 0.001 0.000 0.219 853 A C 1.924 179.745 177.584 0.394 0.000 1.169 853 A CA 1.551 53.806 52.037 0.364 0.000 0.635 853 A CB -0.893 18.285 19.000 0.297 0.000 0.810 853 A HN 0.851 nan 8.150 nan 0.000 0.446 854 W N -0.662 120.752 121.300 0.190 0.000 2.335 854 W HA -0.221 4.440 4.660 0.001 0.000 0.311 854 W C 1.979 178.618 176.519 0.200 0.000 1.213 854 W CA 1.864 59.330 57.345 0.202 0.000 1.274 854 W CB -0.674 28.852 29.460 0.110 0.000 1.148 854 W HN 0.479 nan 8.180 nan 0.000 0.498 855 W N -0.225 121.008 121.300 -0.111 0.000 2.363 855 W HA -0.135 4.526 4.660 0.001 0.000 0.296 855 W C 1.775 178.073 176.519 -0.368 0.000 1.212 855 W CA 1.924 58.997 57.345 -0.453 0.000 1.260 855 W CB -0.826 28.385 29.460 -0.415 0.000 1.131 855 W HN -0.149 nan 8.180 nan 0.000 0.530 856 F N -0.569 119.431 119.950 0.082 0.000 2.816 856 F HA 0.022 4.550 4.527 0.001 0.000 0.302 856 F C 1.724 177.427 175.800 -0.162 0.000 1.178 856 F CA 0.370 58.347 58.000 -0.040 0.000 1.421 856 F CB -0.017 39.062 39.000 0.132 0.000 1.114 856 F HN -0.074 nan 8.300 nan 0.000 0.573 857 M N -3.065 116.485 119.600 -0.083 0.000 1.978 857 M HA 0.068 4.548 4.480 0.001 0.000 0.183 857 M C 0.479 176.496 176.300 -0.472 0.000 1.661 857 M CA 0.443 55.603 55.300 -0.234 0.000 0.926 857 M CB 0.109 32.638 32.600 -0.118 0.000 1.530 857 M HN -0.130 nan 8.290 nan 0.000 0.591 858 Y N 0.914 121.011 120.300 -0.338 0.000 2.457 858 Y HA 0.555 5.105 4.550 0.001 0.000 0.263 858 Y C 1.176 176.723 175.900 -0.589 0.000 1.164 858 Y CA -0.452 57.442 58.100 -0.342 0.000 1.274 858 Y CB -0.432 37.958 38.460 -0.117 0.000 1.097 858 Y HN 0.129 nan 8.280 nan 0.000 0.523 859 A N 0.725 123.042 122.820 -0.837 0.000 2.296 859 A HA 0.291 4.611 4.320 0.001 0.000 0.264 859 A C 0.409 177.652 177.584 -0.568 0.000 1.097 859 A CA -0.433 51.024 52.037 -0.967 0.000 0.811 859 A CB 0.263 18.477 19.000 -1.311 0.000 1.072 859 A HN 0.435 nan 8.150 nan 0.000 0.495 860 E N 0.126 120.084 120.200 -0.403 0.000 2.947 860 E HA 0.207 4.558 4.350 0.001 0.000 0.229 860 E C -1.036 175.409 176.600 -0.258 0.000 1.158 860 E CA -0.076 56.168 56.400 -0.260 0.000 1.441 860 E CB 0.265 29.893 29.700 -0.119 0.000 1.414 860 E HN 0.586 nan 8.360 nan 0.000 0.432 861 D N -0.143 119.988 120.400 -0.448 0.000 2.475 861 D HA 0.095 4.735 4.640 0.001 0.000 0.306 861 D C 0.638 176.582 176.300 -0.592 0.000 1.304 861 D CA 0.100 53.887 54.000 -0.354 0.000 0.862 861 D CB 1.648 42.407 40.800 -0.068 0.000 1.306 861 D HN 0.327 nan 8.370 nan 0.000 0.494 862 G N 2.419 110.713 108.800 -0.843 0.000 4.180 862 G HA2 0.161 4.121 3.960 0.001 0.000 0.234 862 G HA3 0.161 4.121 3.960 0.001 0.000 0.234 862 G C -3.006 171.519 174.900 -0.625 0.000 3.778 862 G CA -0.645 43.994 45.100 -0.768 0.000 0.598 862 G HN -0.169 nan 8.290 nan 0.000 0.220 863 P HA 0.379 nan 4.420 nan 0.000 0.266 863 P C 0.835 178.013 177.300 -0.202 0.000 1.186 863 P CA 0.837 63.742 63.100 -0.325 0.000 0.767 863 P CB 1.316 32.860 31.700 -0.259 0.000 0.820 864 G N 0.172 108.887 108.800 -0.143 0.000 3.022 864 G HA2 0.442 4.402 3.960 0.001 0.000 0.284 864 G HA3 0.442 4.402 3.960 0.001 0.000 0.284 864 G C -1.043 173.839 174.900 -0.029 0.000 1.375 864 G CA -0.706 44.368 45.100 -0.043 0.000 0.902 864 G HN 0.316 nan 8.290 nan 0.000 0.538 865 V N 1.605 121.541 119.914 0.036 0.000 2.420 865 V HA 0.090 4.210 4.120 0.001 0.000 0.274 865 V C 1.920 178.067 176.094 0.088 0.000 1.003 865 V CA 0.969 63.313 62.300 0.074 0.000 1.092 865 V CB 0.229 32.108 31.823 0.094 0.000 1.002 865 V HN 0.952 nan 8.190 nan 0.000 0.473 866 T N 1.127 115.730 114.554 0.082 0.000 3.228 866 T HA -0.075 4.275 4.350 0.001 0.000 0.261 866 T C 0.666 175.394 174.700 0.048 0.000 1.171 866 T CA 0.770 62.861 62.100 -0.016 0.000 1.056 866 T CB -0.470 68.323 68.868 -0.125 0.000 0.938 866 T HN 0.575 nan 8.240 nan 0.000 0.539 867 Y N 0.375 120.691 120.300 0.026 0.000 2.708 867 Y HA 0.348 4.898 4.550 0.001 0.000 0.287 867 Y C 0.955 176.932 175.900 0.127 0.000 1.145 867 Y CA -1.415 56.719 58.100 0.057 0.000 1.249 867 Y CB -0.597 37.871 38.460 0.013 0.000 1.152 867 Y HN 0.477 nan 8.280 nan 0.000 0.532 868 H N -0.651 118.473 119.070 0.090 0.000 3.010 868 H HA -0.217 4.340 4.556 0.001 0.000 0.272 868 H C 1.259 176.594 175.328 0.011 0.000 1.151 868 H CA 0.928 57.004 56.048 0.047 0.000 1.159 868 H CB -0.767 29.009 29.762 0.023 0.000 1.295 868 H HN 0.282 nan 8.280 nan 0.000 0.344 869 Q N 0.000 119.832 119.800 0.052 0.000 2.515 869 Q HA 0.024 4.364 4.340 0.001 0.000 0.212 869 Q C 2.172 178.115 176.000 -0.094 0.000 0.970 869 Q CA 0.798 56.607 55.803 0.009 0.000 0.941 869 Q CB -0.116 28.657 28.738 0.058 0.000 0.998 869 Q HN 0.600 nan 8.270 nan 0.000 0.518 870 L N 0.354 121.485 121.223 -0.152 0.000 2.450 870 L HA -0.080 4.261 4.340 0.001 0.000 0.224 870 L C 1.594 178.334 176.870 -0.216 0.000 1.149 870 L CA 1.487 56.228 54.840 -0.164 0.000 0.816 870 L CB -0.441 41.531 42.059 -0.144 0.000 0.932 870 L HN 0.017 nan 8.230 nan 0.000 0.449 871 T N -1.283 113.042 114.554 -0.381 0.000 2.867 871 T HA -0.144 4.206 4.350 0.001 0.000 0.268 871 T C 0.940 175.325 174.700 -0.525 0.000 1.057 871 T CA 1.795 63.627 62.100 -0.448 0.000 1.136 871 T CB -0.477 68.007 68.868 -0.640 0.000 0.874 871 T HN 0.577 nan 8.240 nan 0.000 0.466 872 H N 0.640 119.558 119.070 -0.254 0.000 2.610 872 H HA 0.259 4.815 4.556 0.001 0.000 0.302 872 H C 1.374 176.408 175.328 -0.489 0.000 1.063 872 H CA -0.468 55.361 56.048 -0.366 0.000 1.159 872 H CB -0.664 28.945 29.762 -0.255 0.000 1.427 872 H HN 0.484 nan 8.280 nan 0.000 0.553 873 F N -0.753 118.867 119.950 -0.549 0.000 2.250 873 F HA -0.218 4.310 4.527 0.001 0.000 0.301 873 F C 1.792 177.204 175.800 -0.646 0.000 1.077 873 F CA 0.765 58.157 58.000 -1.014 0.000 1.348 873 F CB -0.358 37.598 39.000 -1.740 0.000 1.040 873 F HN 0.133 nan 8.300 nan 0.000 0.509 874 M N 0.745 119.571 119.600 -1.290 0.000 2.149 874 M HA -0.171 4.310 4.480 0.001 0.000 0.261 874 M C 1.067 177.112 176.300 -0.425 0.000 1.064 874 M CA 1.491 56.280 55.300 -0.851 0.000 1.102 874 M CB -1.119 30.977 32.600 -0.842 0.000 1.369 874 M HN 0.373 nan 8.290 nan 0.000 0.408 875 Q N -0.969 118.603 119.800 -0.380 0.000 3.170 875 Q HA 0.031 4.371 4.340 0.001 0.000 0.346 875 Q C 1.206 177.085 176.000 -0.202 0.000 1.333 875 Q CA -0.414 55.222 55.803 -0.278 0.000 0.958 875 Q CB 0.053 28.600 28.738 -0.318 0.000 1.600 875 Q HN 0.403 nan 8.270 nan 0.000 0.482 876 c N -0.856 117.665 118.600 -0.131 0.000 2.563 876 c HA 0.041 4.611 4.570 0.001 0.000 0.346 876 c C 2.210 176.309 174.090 0.015 0.000 1.334 876 c CA 0.662 56.969 56.329 -0.036 0.000 1.938 876 c CB 0.140 42.702 42.510 0.087 0.000 2.445 876 c HN 0.571 nan 8.230 nan 0.000 0.541 877 T N 0.154 114.718 114.554 0.017 0.000 3.014 877 T HA -0.061 4.289 4.350 0.001 0.000 0.263 877 T C 1.555 176.263 174.700 0.014 0.000 1.078 877 T CA 1.458 63.586 62.100 0.047 0.000 1.135 877 T CB -0.129 68.761 68.868 0.037 0.000 0.895 877 T HN 0.581 nan 8.240 nan 0.000 0.480 878 E N 1.833 122.009 120.200 -0.040 0.000 2.047 878 E HA -0.075 4.276 4.350 0.001 0.000 0.191 878 E C 0.121 176.696 176.600 -0.042 0.000 0.987 878 E CA 1.000 57.364 56.400 -0.060 0.000 0.799 878 E CB 0.196 29.828 29.700 -0.113 0.000 0.752 878 E HN 0.232 nan 8.360 nan 0.000 0.449 879 D N -0.616 119.746 120.400 -0.063 0.000 2.468 879 D HA 0.023 4.664 4.640 0.001 0.000 0.272 879 D C 0.150 176.499 176.300 0.081 0.000 1.221 879 D CA -0.193 53.809 54.000 0.003 0.000 0.860 879 D CB 0.520 41.264 40.800 -0.094 0.000 1.190 879 D HN 0.238 nan 8.370 nan 0.000 0.509 880 H N 2.746 121.828 119.070 0.019 0.000 2.290 880 H HA -0.040 4.517 4.556 0.001 0.000 0.298 880 H C -0.992 174.359 175.328 0.039 0.000 1.087 880 H CA 1.356 57.425 56.048 0.036 0.000 1.291 880 H CB -0.375 29.399 29.762 0.020 0.000 1.369 880 H HN 0.224 nan 8.280 nan 0.000 0.492 881 P HA -0.102 nan 4.420 nan 0.000 0.236 881 P C 0.740 178.009 177.300 -0.051 0.000 1.172 881 P CA 0.875 64.051 63.100 0.127 0.000 0.759 881 P CB -0.146 31.576 31.700 0.037 0.000 0.843 882 H N 0.674 119.665 119.070 -0.130 0.000 2.840 882 H HA -0.053 4.503 4.556 0.001 0.000 0.300 882 H C 0.341 175.287 175.328 -0.636 0.000 1.020 882 H CA 2.011 57.892 56.048 -0.278 0.000 1.081 882 H CB -0.450 29.331 29.762 0.031 0.000 1.510 882 H HN 0.074 nan 8.280 nan 0.000 0.756 883 F N -0.260 119.753 119.950 0.104 0.000 2.556 883 F HA 0.244 4.772 4.527 0.001 0.000 0.384 883 F C 0.474 176.277 175.800 0.005 0.000 1.493 883 F CA -0.386 57.627 58.000 0.020 0.000 1.119 883 F CB 0.711 39.719 39.000 0.013 0.000 1.280 883 F HN 0.133 nan 8.300 nan 0.000 0.525 884 E N 0.266 120.500 120.200 0.057 0.000 3.271 884 E HA 0.501 4.851 4.350 0.001 0.000 0.331 884 E C 1.599 178.175 176.600 -0.040 0.000 0.732 884 E CA 0.720 57.099 56.400 -0.035 0.000 1.395 884 E CB -0.527 29.002 29.700 -0.285 0.000 2.445 884 E HN 0.171 nan 8.360 nan 0.000 0.544 885 G N 1.352 110.110 108.800 -0.071 0.000 2.130 885 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 885 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 885 G C 0.119 175.053 174.900 0.058 0.000 0.999 885 G CA 0.647 45.787 45.100 0.068 0.000 0.686 885 G HN 0.251 nan 8.290 nan 0.000 0.515 886 L N -4.414 116.816 121.223 0.012 0.000 2.765 886 L HA 0.814 5.155 4.340 0.001 0.000 0.263 886 L C -0.671 176.229 176.870 0.049 0.000 1.068 886 L CA -1.424 53.429 54.840 0.022 0.000 0.903 886 L CB 0.962 42.991 42.059 -0.049 0.000 1.512 886 L HN -0.042 nan 8.230 nan 0.000 0.404 887 D N 0.059 120.480 120.400 0.034 0.000 2.443 887 D HA 0.090 4.731 4.640 0.001 0.000 0.239 887 D C 0.528 176.834 176.300 0.009 0.000 1.136 887 D CA 0.020 54.050 54.000 0.050 0.000 0.879 887 D CB 1.612 42.424 40.800 0.020 0.000 1.195 887 D HN 0.698 nan 8.370 nan 0.000 0.443 888 c N 2.559 121.211 118.600 0.087 0.000 2.539 888 c HA 0.033 4.603 4.570 0.001 0.000 0.268 888 c C 1.933 176.117 174.090 0.157 0.000 1.395 888 c CA -0.180 56.244 56.329 0.159 0.000 1.757 888 c CB -0.788 41.838 42.510 0.193 0.000 1.851 888 c HN 0.676 nan 8.230 nan 0.000 0.545 889 E N 0.515 120.759 120.200 0.074 0.000 2.445 889 E HA 0.006 4.357 4.350 0.001 0.000 0.189 889 E C 1.565 178.177 176.600 0.020 0.000 1.069 889 E CA -0.033 56.409 56.400 0.070 0.000 0.871 889 E CB 0.035 29.766 29.700 0.052 0.000 0.991 889 E HN 0.572 nan 8.360 nan 0.000 0.481 890 I N -0.366 120.141 120.570 -0.106 0.000 2.716 890 I HA -0.078 4.093 4.170 0.001 0.000 0.259 890 I C 0.608 176.646 176.117 -0.131 0.000 1.172 890 I CA 0.827 62.031 61.300 -0.161 0.000 1.478 890 I CB 0.091 37.868 38.000 -0.372 0.000 1.104 890 I HN 0.066 nan 8.210 nan 0.000 0.439 891 F N 0.932 120.903 119.950 0.035 0.000 2.697 891 F HA 0.197 4.724 4.527 0.001 0.000 0.297 891 F C 1.295 177.075 175.800 -0.034 0.000 1.203 891 F CA 0.206 58.112 58.000 -0.155 0.000 1.421 891 F CB -0.302 38.478 39.000 -0.367 0.000 1.033 891 F HN 0.142 nan 8.300 nan 0.000 0.512 892 E N -0.243 120.057 120.200 0.166 0.000 2.753 892 E HA 0.251 4.601 4.350 0.001 0.000 0.218 892 E C 0.562 177.184 176.600 0.037 0.000 0.956 892 E CA -0.275 56.184 56.400 0.099 0.000 1.244 892 E CB 0.605 30.358 29.700 0.088 0.000 1.114 892 E HN 0.189 nan 8.360 nan 0.000 0.530 893 A N 2.289 125.130 122.820 0.035 0.000 2.531 893 A HA 0.134 4.455 4.320 0.001 0.000 0.236 893 A C -1.703 175.731 177.584 -0.250 0.000 1.062 893 A CA -0.723 51.245 52.037 -0.115 0.000 0.760 893 A CB 0.109 19.005 19.000 -0.172 0.000 0.995 893 A HN -0.095 nan 8.150 nan 0.000 0.501 894 P HA -0.046 nan 4.420 nan 0.000 0.225 894 P C 0.794 177.842 177.300 -0.419 0.000 1.156 894 P CA 0.960 63.904 63.100 -0.261 0.000 0.787 894 P CB 0.275 31.863 31.700 -0.185 0.000 0.802 895 E N 0.425 120.224 120.200 -0.667 0.000 2.038 895 E HA -0.163 4.188 4.350 0.001 0.000 0.195 895 E C -0.382 175.621 176.600 -0.995 0.000 1.000 895 E CA 2.026 57.858 56.400 -0.946 0.000 0.803 895 E CB -2.306 26.459 29.700 -1.558 0.000 0.750 895 E HN 0.414 nan 8.360 nan 0.000 0.448 896 P HA -0.182 nan 4.420 nan 0.000 0.215 896 P C 1.368 178.452 177.300 -0.360 0.000 1.153 896 P CA 1.644 64.304 63.100 -0.734 0.000 0.853 896 P CB -0.044 31.130 31.700 -0.876 0.000 0.788 897 M N -0.761 118.663 119.600 -0.294 0.000 2.099 897 M HA -0.090 4.390 4.480 0.001 0.000 0.262 897 M C 2.242 178.448 176.300 -0.157 0.000 1.067 897 M CA 2.206 57.412 55.300 -0.157 0.000 1.124 897 M CB -1.636 30.900 32.600 -0.107 0.000 1.353 897 M HN -0.070 nan 8.290 nan 0.000 0.410 898 T N 0.775 115.198 114.554 -0.218 0.000 2.759 898 T HA -0.142 4.208 4.350 0.001 0.000 0.269 898 T C 1.870 176.438 174.700 -0.219 0.000 1.042 898 T CA 1.144 63.120 62.100 -0.208 0.000 1.140 898 T CB -0.111 68.599 68.868 -0.264 0.000 0.864 898 T HN 0.247 nan 8.240 nan 0.000 0.455 899 M N 0.989 120.445 119.600 -0.241 0.000 2.086 899 M HA -0.012 4.469 4.480 0.001 0.000 0.261 899 M C 2.832 179.054 176.300 -0.130 0.000 1.067 899 M CA 1.611 56.799 55.300 -0.186 0.000 1.116 899 M CB -1.352 31.193 32.600 -0.092 0.000 1.348 899 M HN 0.334 nan 8.290 nan 0.000 0.407 900 A N 0.010 122.773 122.820 -0.095 0.000 1.877 900 A HA -0.183 4.137 4.320 0.001 0.000 0.216 900 A C 2.179 179.734 177.584 -0.049 0.000 1.186 900 A CA 1.495 53.498 52.037 -0.057 0.000 0.620 900 A CB -1.025 17.954 19.000 -0.034 0.000 0.822 900 A HN 0.431 nan 8.150 nan 0.000 0.443 901 L N -0.027 121.173 121.223 -0.039 0.000 2.042 901 L HA -0.118 4.222 4.340 0.001 0.000 0.210 901 L C 2.493 179.346 176.870 -0.027 0.000 1.076 901 L CA 2.539 57.380 54.840 0.001 0.000 0.749 901 L CB -0.635 41.454 42.059 0.050 0.000 0.893 901 L HN 0.284 nan 8.230 nan 0.000 0.432 902 S N -1.467 114.198 115.700 -0.058 0.000 2.419 902 S HA -0.117 4.354 4.470 0.001 0.000 0.233 902 S C 1.899 176.465 174.600 -0.056 0.000 1.016 902 S CA 1.170 59.309 58.200 -0.101 0.000 0.974 902 S CB -0.235 62.769 63.200 -0.327 0.000 0.786 902 S HN 0.346 nan 8.310 nan 0.000 0.492 903 V N 1.442 121.321 119.914 -0.059 0.000 2.323 903 V HA -0.086 4.035 4.120 0.001 0.000 0.244 903 V C 2.184 178.270 176.094 -0.015 0.000 1.041 903 V CA 1.316 63.599 62.300 -0.028 0.000 1.025 903 V CB -0.589 31.200 31.823 -0.058 0.000 0.656 903 V HN 0.371 nan 8.190 nan 0.000 0.451 904 L N 0.210 121.416 121.223 -0.027 0.000 1.970 904 L HA -0.148 4.192 4.340 0.001 0.000 0.212 904 L C 2.408 179.266 176.870 -0.019 0.000 1.071 904 L CA 2.042 56.871 54.840 -0.017 0.000 0.751 904 L CB -0.699 41.353 42.059 -0.013 0.000 0.889 904 L HN 0.122 nan 8.230 nan 0.000 0.432 905 V N -0.434 119.445 119.914 -0.059 0.000 2.252 905 V HA -0.388 3.733 4.120 0.001 0.000 0.249 905 V C 2.495 178.563 176.094 -0.043 0.000 1.056 905 V CA 2.493 64.736 62.300 -0.095 0.000 1.022 905 V CB -1.277 30.357 31.823 -0.316 0.000 0.641 905 V HN 0.612 nan 8.190 nan 0.000 0.445 906 T N 0.016 114.558 114.554 -0.020 0.000 2.788 906 T HA -0.123 4.227 4.350 0.001 0.000 0.268 906 T C 1.795 176.529 174.700 0.057 0.000 1.044 906 T CA 1.749 63.873 62.100 0.041 0.000 1.139 906 T CB -0.299 68.635 68.868 0.110 0.000 0.867 906 T HN 0.359 nan 8.240 nan 0.000 0.454 907 I N 0.814 121.420 120.570 0.060 0.000 2.226 907 I HA -0.127 4.043 4.170 0.001 0.000 0.245 907 I C 2.680 178.855 176.117 0.097 0.000 1.100 907 I CA 1.046 62.398 61.300 0.087 0.000 1.374 907 I CB -0.271 37.786 38.000 0.096 0.000 1.057 907 I HN 0.134 nan 8.210 nan 0.000 0.413 908 E N 0.421 120.672 120.200 0.085 0.000 2.072 908 E HA -0.162 4.189 4.350 0.001 0.000 0.191 908 E C 2.210 178.954 176.600 0.239 0.000 0.985 908 E CA 1.127 57.621 56.400 0.157 0.000 0.801 908 E CB -0.260 29.493 29.700 0.088 0.000 0.750 908 E HN 0.376 nan 8.360 nan 0.000 0.452 909 M N -0.133 119.543 119.600 0.128 0.000 2.279 909 M HA -0.122 4.358 4.480 0.001 0.000 0.264 909 M C 2.285 178.621 176.300 0.060 0.000 1.062 909 M CA 0.823 56.172 55.300 0.081 0.000 1.099 909 M CB -1.081 31.543 32.600 0.040 0.000 1.394 909 M HN 0.152 nan 8.290 nan 0.000 0.426 910 C N -0.325 119.019 119.300 0.074 0.000 2.504 910 C HA 0.018 4.479 4.460 0.001 0.000 0.279 910 C C 2.354 177.386 174.990 0.071 0.000 1.358 910 C CA 0.410 59.459 59.018 0.051 0.000 1.747 910 C CB -1.147 26.620 27.740 0.046 0.000 2.037 910 C HN 0.564 nan 8.230 nan 0.000 0.503 911 N N 1.001 119.788 118.700 0.145 0.000 2.515 911 N HA 0.047 4.788 4.740 0.001 0.000 0.185 911 N C 1.504 177.147 175.510 0.221 0.000 1.109 911 N CA 0.924 54.097 53.050 0.205 0.000 0.903 911 N CB -0.006 38.634 38.487 0.256 0.000 0.969 911 N HN 0.470 nan 8.380 nan 0.000 0.450 912 A N 0.053 122.919 122.820 0.078 0.000 1.898 912 A HA 0.033 4.353 4.320 0.001 0.000 0.214 912 A C 1.997 179.494 177.584 -0.145 0.000 1.183 912 A CA 0.681 52.547 52.037 -0.285 0.000 0.622 912 A CB -0.537 18.262 19.000 -0.333 0.000 0.824 912 A HN 0.307 nan 8.150 nan 0.000 0.444 913 L N -0.182 121.002 121.223 -0.066 0.000 2.191 913 L HA -0.173 4.168 4.340 0.001 0.000 0.212 913 L C 1.894 178.742 176.870 -0.036 0.000 1.103 913 L CA 1.331 56.135 54.840 -0.060 0.000 0.769 913 L CB -0.712 41.312 42.059 -0.060 0.000 0.908 913 L HN 0.481 nan 8.230 nan 0.000 0.438 914 N N -0.813 117.888 118.700 0.002 0.000 2.512 914 N HA -0.076 4.665 4.740 0.001 0.000 0.183 914 N C 1.440 176.980 175.510 0.050 0.000 1.073 914 N CA 0.482 53.549 53.050 0.029 0.000 0.911 914 N CB 0.144 38.668 38.487 0.062 0.000 0.964 914 N HN 0.175 nan 8.380 nan 0.000 0.447 915 S N 0.374 116.094 115.700 0.033 0.000 2.556 915 S HA 0.206 4.676 4.470 0.001 0.000 0.216 915 S C 1.583 176.185 174.600 0.003 0.000 0.970 915 S CA -0.175 58.050 58.200 0.042 0.000 0.912 915 S CB 0.287 63.494 63.200 0.012 0.000 0.790 915 S HN 0.260 nan 8.310 nan 0.000 0.504 916 L N 0.746 121.960 121.223 -0.015 0.000 2.362 916 L HA 0.092 4.432 4.340 0.001 0.000 0.219 916 L C 0.869 177.740 176.870 0.001 0.000 1.134 916 L CA 0.601 55.434 54.840 -0.011 0.000 0.807 916 L CB 0.123 42.165 42.059 -0.027 0.000 0.927 916 L HN 0.185 nan 8.230 nan 0.000 0.447 917 S N -2.182 113.523 115.700 0.008 0.000 2.543 917 S HA 0.119 4.590 4.470 0.001 0.000 0.274 917 S C 0.312 174.927 174.600 0.025 0.000 1.149 917 S CA -0.743 57.466 58.200 0.014 0.000 0.866 917 S CB 1.679 64.884 63.200 0.009 0.000 1.111 917 S HN 0.202 nan 8.310 nan 0.000 0.457 918 E N 1.957 122.175 120.200 0.029 0.000 2.008 918 E HA 0.024 4.375 4.350 0.001 0.000 0.191 918 E C 0.190 176.814 176.600 0.039 0.000 0.986 918 E CA 0.959 57.381 56.400 0.037 0.000 0.807 918 E CB -0.026 29.700 29.700 0.043 0.000 0.766 918 E HN 0.609 nan 8.360 nan 0.000 0.450 919 N N 0.856 119.582 118.700 0.044 0.000 2.389 919 N HA 0.088 4.828 4.740 0.001 0.000 0.260 919 N C -0.969 174.567 175.510 0.044 0.000 1.191 919 N CA 0.139 53.222 53.050 0.054 0.000 0.885 919 N CB 1.143 39.661 38.487 0.052 0.000 1.162 919 N HN 0.112 nan 8.380 nan 0.000 0.512 920 Q N 0.355 120.177 119.800 0.036 0.000 2.330 920 Q HA 0.351 4.692 4.340 0.001 0.000 0.269 920 Q C -0.194 175.823 176.000 0.028 0.000 1.022 920 Q CA -0.304 55.517 55.803 0.031 0.000 0.796 920 Q CB 2.213 30.962 28.738 0.018 0.000 1.271 920 Q HN 0.006 nan 8.270 nan 0.000 0.450 921 S N 1.858 117.583 115.700 0.041 0.000 2.573 921 S HA 0.040 4.511 4.470 0.001 0.000 0.277 921 S C 1.390 175.981 174.600 -0.015 0.000 1.346 921 S CA -0.331 57.886 58.200 0.028 0.000 1.034 921 S CB 0.400 63.632 63.200 0.052 0.000 0.879 921 S HN 0.433 nan 8.310 nan 0.000 0.528 922 L N 1.822 123.019 121.223 -0.043 0.000 2.549 922 L HA -0.026 4.314 4.340 0.001 0.000 0.230 922 L C 1.924 178.716 176.870 -0.131 0.000 1.162 922 L CA 1.253 56.032 54.840 -0.101 0.000 0.834 922 L CB -0.555 41.433 42.059 -0.118 0.000 0.947 922 L HN 0.609 nan 8.230 nan 0.000 0.452 923 M N -1.702 117.855 119.600 -0.070 0.000 2.447 923 M HA 0.072 4.552 4.480 0.001 0.000 0.266 923 M C 2.065 178.352 176.300 -0.023 0.000 1.120 923 M CA 0.998 56.267 55.300 -0.053 0.000 1.166 923 M CB -0.592 31.998 32.600 -0.015 0.000 1.349 923 M HN 0.124 nan 8.290 nan 0.000 0.463 924 R N -0.159 120.338 120.500 -0.005 0.000 2.189 924 R HA 0.120 4.461 4.340 0.001 0.000 0.218 924 R C 0.675 176.976 176.300 0.001 0.000 1.074 924 R CA 0.563 56.670 56.100 0.013 0.000 0.991 924 R CB 0.068 30.383 30.300 0.025 0.000 0.883 924 R HN 0.330 nan 8.270 nan 0.000 0.457 925 M N 1.558 121.138 119.600 -0.034 0.000 2.060 925 M HA 0.249 4.730 4.480 0.001 0.000 0.231 925 M C -2.597 173.616 176.300 -0.144 0.000 0.936 925 M CA -1.845 53.426 55.300 -0.048 0.000 0.981 925 M CB 2.115 34.701 32.600 -0.025 0.000 2.216 925 M HN -0.250 nan 8.290 nan 0.000 0.399 926 P HA 0.095 nan 4.420 nan 0.000 0.267 926 P C -2.603 174.332 177.300 -0.607 0.000 1.201 926 P CA -0.467 62.254 63.100 -0.632 0.000 0.775 926 P CB 0.084 31.167 31.700 -1.028 0.000 0.854 927 P HA -0.102 nan 4.420 nan 0.000 0.218 927 P C 0.883 178.072 177.300 -0.185 0.000 1.149 927 P CA 1.387 64.282 63.100 -0.341 0.000 0.817 927 P CB -0.512 31.017 31.700 -0.285 0.000 0.785 928 W N -1.565 119.735 121.300 0.000 0.000 2.982 928 W HA 0.110 4.771 4.660 0.001 0.000 0.239 928 W C 0.999 177.521 176.519 0.004 0.000 1.303 928 W CA -0.190 57.151 57.345 -0.007 0.000 1.448 928 W CB -2.103 27.348 29.460 -0.016 0.000 1.133 928 W HN -0.259 nan 8.180 nan 0.000 0.698 929 V N 1.487 121.499 119.914 0.163 0.000 2.379 929 V HA -0.203 3.917 4.120 0.001 0.000 0.245 929 V C 1.121 177.305 176.094 0.150 0.000 1.044 929 V CA 1.851 64.249 62.300 0.163 0.000 1.036 929 V CB -0.664 31.205 31.823 0.076 0.000 0.664 929 V HN 0.275 nan 8.190 nan 0.000 0.453 930 N N 0.963 119.740 118.700 0.128 0.000 2.817 930 N HA 0.157 4.898 4.740 0.001 0.000 0.234 930 N C 0.739 176.331 175.510 0.137 0.000 1.066 930 N CA -0.233 52.919 53.050 0.170 0.000 0.926 930 N CB 0.698 39.283 38.487 0.163 0.000 1.176 930 N HN 0.065 nan 8.380 nan 0.000 0.506 931 I N 1.074 121.689 120.570 0.076 0.000 2.399 931 I HA -0.222 3.948 4.170 0.001 0.000 0.254 931 I C 1.304 177.333 176.117 -0.147 0.000 1.146 931 I CA 0.917 62.173 61.300 -0.072 0.000 1.412 931 I CB -0.793 37.078 38.000 -0.216 0.000 1.076 931 I HN 0.524 nan 8.210 nan 0.000 0.432 932 W N 0.487 121.730 121.300 -0.094 0.000 2.388 932 W HA -0.135 4.525 4.660 0.001 0.000 0.294 932 W C 2.451 178.926 176.519 -0.073 0.000 1.212 932 W CA 0.231 57.491 57.345 -0.143 0.000 1.271 932 W CB -0.834 28.455 29.460 -0.286 0.000 1.126 932 W HN 0.058 nan 8.180 nan 0.000 0.535 933 L N 0.469 121.799 121.223 0.179 0.000 2.017 933 L HA -0.172 4.169 4.340 0.001 0.000 0.208 933 L C 2.106 178.998 176.870 0.037 0.000 1.073 933 L CA 1.919 56.809 54.840 0.083 0.000 0.745 933 L CB -1.155 40.931 42.059 0.045 0.000 0.894 933 L HN 0.008 nan 8.230 nan 0.000 0.432 934 L N -0.734 120.505 121.223 0.026 0.000 1.989 934 L HA -0.143 4.197 4.340 0.001 0.000 0.211 934 L C 2.541 179.409 176.870 -0.003 0.000 1.071 934 L CA 1.449 56.295 54.840 0.010 0.000 0.749 934 L CB -1.652 40.418 42.059 0.018 0.000 0.890 934 L HN 0.459 nan 8.230 nan 0.000 0.431 935 G N -1.244 107.539 108.800 -0.029 0.000 2.470 935 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 935 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 935 G C 1.810 176.711 174.900 0.002 0.000 1.121 935 G CA 1.035 46.109 45.100 -0.044 0.000 0.766 935 G HN 0.366 nan 8.290 nan 0.000 0.553 936 S N 0.024 115.743 115.700 0.031 0.000 2.357 936 S HA 0.015 4.486 4.470 0.001 0.000 0.221 936 S C 2.383 176.999 174.600 0.027 0.000 1.031 936 S CA 0.657 58.883 58.200 0.043 0.000 0.982 936 S CB -0.232 63.001 63.200 0.054 0.000 0.853 936 S HN 0.356 nan 8.310 nan 0.000 0.458 937 I N 1.181 121.762 120.570 0.019 0.000 2.286 937 I HA -0.212 3.959 4.170 0.001 0.000 0.248 937 I C 2.453 178.590 176.117 0.033 0.000 1.115 937 I CA 0.854 62.167 61.300 0.021 0.000 1.392 937 I CB -0.550 37.456 38.000 0.011 0.000 1.065 937 I HN 0.423 nan 8.210 nan 0.000 0.418 938 C N 0.299 119.616 119.300 0.027 0.000 2.429 938 C HA -0.134 4.327 4.460 0.001 0.000 0.277 938 C C 2.683 177.705 174.990 0.053 0.000 1.262 938 C CA 0.342 59.380 59.018 0.035 0.000 1.733 938 C CB -0.919 26.828 27.740 0.012 0.000 2.010 938 C HN 0.504 nan 8.230 nan 0.000 0.483 939 L N 0.685 121.935 121.223 0.045 0.000 2.362 939 L HA -0.019 4.322 4.340 0.001 0.000 0.219 939 L C 2.294 179.212 176.870 0.080 0.000 1.134 939 L CA 1.654 56.528 54.840 0.056 0.000 0.807 939 L CB -0.560 41.524 42.059 0.042 0.000 0.927 939 L HN 0.207 nan 8.230 nan 0.000 0.447 940 S N -1.150 114.594 115.700 0.073 0.000 2.356 940 S HA -0.019 4.452 4.470 0.001 0.000 0.219 940 S C 1.845 176.532 174.600 0.144 0.000 1.036 940 S CA 1.078 59.330 58.200 0.088 0.000 0.965 940 S CB -0.109 63.120 63.200 0.048 0.000 0.864 940 S HN 0.332 nan 8.310 nan 0.000 0.471 941 M N 2.253 121.928 119.600 0.125 0.000 2.108 941 M HA -0.082 4.398 4.480 0.001 0.000 0.261 941 M C 2.468 178.946 176.300 0.296 0.000 1.066 941 M CA 1.592 56.992 55.300 0.167 0.000 1.107 941 M CB -1.950 30.744 32.600 0.156 0.000 1.356 941 M HN 0.481 nan 8.290 nan 0.000 0.406 942 S N 0.403 116.254 115.700 0.252 0.000 2.368 942 S HA -0.108 4.363 4.470 0.001 0.000 0.225 942 S C 2.019 176.759 174.600 0.235 0.000 1.030 942 S CA 1.062 59.410 58.200 0.246 0.000 0.999 942 S CB -0.958 62.321 63.200 0.132 0.000 0.844 942 S HN 0.515 nan 8.310 nan 0.000 0.459 943 L N 0.517 121.879 121.223 0.232 0.000 2.376 943 L HA -0.003 4.337 4.340 0.001 0.000 0.219 943 L C 2.741 179.785 176.870 0.289 0.000 1.133 943 L CA 1.273 56.284 54.840 0.285 0.000 0.816 943 L CB -0.487 41.794 42.059 0.371 0.000 0.933 943 L HN 0.446 nan 8.230 nan 0.000 0.449 944 H N -0.283 118.868 119.070 0.136 0.000 2.317 944 H HA -0.100 4.457 4.556 0.001 0.000 0.304 944 H C 1.911 177.206 175.328 -0.055 0.000 1.067 944 H CA 1.571 57.620 56.048 0.001 0.000 1.352 944 H CB -0.140 29.567 29.762 -0.091 0.000 1.398 944 H HN 0.110 nan 8.280 nan 0.000 0.510 945 F N -0.138 119.828 119.950 0.027 0.000 2.269 945 F HA -0.076 4.451 4.527 0.001 0.000 0.301 945 F C 2.323 178.103 175.800 -0.033 0.000 1.082 945 F CA 0.712 58.694 58.000 -0.031 0.000 1.360 945 F CB -0.553 38.398 39.000 -0.082 0.000 1.041 945 F HN 0.226 nan 8.300 nan 0.000 0.512 946 L N 0.219 121.515 121.223 0.122 0.000 2.131 946 L HA -0.150 4.191 4.340 0.001 0.000 0.210 946 L C 1.879 178.722 176.870 -0.044 0.000 1.092 946 L CA 1.756 56.627 54.840 0.051 0.000 0.759 946 L CB -0.549 41.541 42.059 0.053 0.000 0.903 946 L HN 0.136 nan 8.230 nan 0.000 0.435 947 I N -1.559 118.891 120.570 -0.199 0.000 3.251 947 I HA -0.138 4.032 4.170 0.001 0.000 0.277 947 I C 1.575 177.561 176.117 -0.218 0.000 1.268 947 I CA 0.466 61.538 61.300 -0.380 0.000 1.449 947 I CB -0.117 37.402 38.000 -0.801 0.000 1.083 947 I HN 0.186 nan 8.210 nan 0.000 0.464 948 L N -1.205 119.978 121.223 -0.067 0.000 2.585 948 L HA 0.074 4.415 4.340 0.001 0.000 0.226 948 L C 1.640 178.551 176.870 0.068 0.000 1.113 948 L CA 0.402 55.245 54.840 0.005 0.000 0.876 948 L CB -0.020 42.081 42.059 0.071 0.000 1.072 948 L HN 0.177 nan 8.230 nan 0.000 0.468 949 Y N -1.073 119.212 120.300 -0.024 0.000 2.673 949 Y HA 0.173 4.723 4.550 0.001 0.000 0.278 949 Y C 1.262 177.153 175.900 -0.013 0.000 1.127 949 Y CA -0.676 57.424 58.100 0.000 0.000 1.261 949 Y CB 0.104 38.582 38.460 0.030 0.000 1.412 949 Y HN -0.348 nan 8.280 nan 0.000 0.496 950 V N 3.962 123.963 119.914 0.144 0.000 2.415 950 V HA -0.105 4.016 4.120 0.001 0.000 0.252 950 V C 0.738 176.850 176.094 0.029 0.000 1.043 950 V CA 0.089 62.431 62.300 0.070 0.000 1.149 950 V CB -0.710 31.140 31.823 0.046 0.000 1.143 950 V HN 0.392 nan 8.190 nan 0.000 0.478 951 D N 6.045 126.456 120.400 0.019 0.000 2.347 951 D HA -0.212 4.428 4.640 0.001 0.000 0.189 951 D C -0.261 176.040 176.300 0.003 0.000 1.020 951 D CA 2.193 56.192 54.000 -0.001 0.000 0.875 951 D CB -1.123 39.676 40.800 -0.002 0.000 0.928 951 D HN 0.524 nan 8.370 nan 0.000 0.454 952 P HA -0.043 nan 4.420 nan 0.000 0.242 952 P C 1.381 178.701 177.300 0.032 0.000 1.198 952 P CA 0.699 63.809 63.100 0.017 0.000 0.756 952 P CB -0.063 31.649 31.700 0.021 0.000 0.911 953 L N -1.046 120.196 121.223 0.032 0.000 2.519 953 L HA 0.221 4.561 4.340 0.001 0.000 0.194 953 L C -0.636 176.297 176.870 0.104 0.000 1.072 953 L CA 0.212 55.096 54.840 0.074 0.000 0.845 953 L CB -1.577 40.469 42.059 -0.022 0.000 1.138 953 L HN -0.155 nan 8.230 nan 0.000 0.487 954 P HA -0.232 nan 4.420 nan 0.000 0.218 954 P C 1.717 179.030 177.300 0.022 0.000 1.146 954 P CA 1.721 64.821 63.100 0.000 0.000 0.820 954 P CB 0.025 31.693 31.700 -0.054 0.000 0.778 955 M N -0.569 119.041 119.600 0.016 0.000 2.123 955 M HA -0.099 4.382 4.480 0.001 0.000 0.263 955 M C 1.885 178.178 176.300 -0.011 0.000 1.069 955 M CA 1.865 57.163 55.300 -0.004 0.000 1.133 955 M CB -0.454 32.140 32.600 -0.011 0.000 1.356 955 M HN -0.137 nan 8.290 nan 0.000 0.415 956 I N -2.830 117.735 120.570 -0.009 0.000 2.676 956 I HA -0.125 4.046 4.170 0.001 0.000 0.259 956 I C 1.095 177.072 176.117 -0.232 0.000 1.194 956 I CA 1.238 62.470 61.300 -0.114 0.000 1.473 956 I CB -0.620 37.291 38.000 -0.147 0.000 1.096 956 I HN 0.139 nan 8.210 nan 0.000 0.443 957 F N 1.575 121.472 119.950 -0.089 0.000 2.721 957 F HA 0.314 4.841 4.527 0.001 0.000 0.301 957 F C 0.738 176.486 175.800 -0.086 0.000 1.096 957 F CA -0.282 57.660 58.000 -0.098 0.000 1.308 957 F CB 0.112 39.013 39.000 -0.165 0.000 1.086 957 F HN -0.073 nan 8.300 nan 0.000 0.587 958 K N 1.374 121.806 120.400 0.053 0.000 3.244 958 K HA -0.191 4.129 4.320 0.001 0.000 0.270 958 K C -0.840 175.745 176.600 -0.025 0.000 1.016 958 K CA 0.249 56.534 56.287 -0.003 0.000 0.754 958 K CB -1.954 30.537 32.500 -0.015 0.000 1.326 958 K HN 0.293 nan 8.250 nan 0.000 0.465 959 L N -0.251 120.952 121.223 -0.033 0.000 2.309 959 L HA 0.607 4.947 4.340 0.001 0.000 0.261 959 L C -0.290 176.500 176.870 -0.132 0.000 1.021 959 L CA -1.070 53.712 54.840 -0.097 0.000 0.823 959 L CB 2.261 44.255 42.059 -0.108 0.000 1.366 959 L HN 0.039 nan 8.230 nan 0.000 0.423 960 K N 0.669 120.962 120.400 -0.179 0.000 2.543 960 K HA 0.653 4.973 4.320 0.001 0.000 0.255 960 K C -0.780 175.698 176.600 -0.203 0.000 0.934 960 K CA -0.547 55.629 56.287 -0.185 0.000 0.810 960 K CB 2.173 34.562 32.500 -0.186 0.000 1.315 960 K HN 0.696 nan 8.250 nan 0.000 0.433 961 A N 3.255 125.948 122.820 -0.212 0.000 2.644 961 A HA 0.117 4.438 4.320 0.001 0.000 0.230 961 A C -0.418 177.087 177.584 -0.132 0.000 1.080 961 A CA 0.552 52.478 52.037 -0.186 0.000 0.773 961 A CB -0.059 18.740 19.000 -0.335 0.000 1.007 961 A HN 0.615 nan 8.150 nan 0.000 0.512 962 L N 0.336 121.523 121.223 -0.061 0.000 2.301 962 L HA 0.419 4.760 4.340 0.001 0.000 0.264 962 L C -0.175 176.748 176.870 0.089 0.000 1.016 962 L CA -1.127 53.660 54.840 -0.089 0.000 0.821 962 L CB 1.606 43.432 42.059 -0.388 0.000 1.346 962 L HN 0.707 nan 8.230 nan 0.000 0.429 963 D N 0.144 120.611 120.400 0.112 0.000 2.478 963 D HA 0.106 4.746 4.640 0.001 0.000 0.274 963 D C 0.698 177.169 176.300 0.286 0.000 1.234 963 D CA -0.501 53.610 54.000 0.184 0.000 1.069 963 D CB 1.248 42.142 40.800 0.156 0.000 1.113 963 D HN 0.242 nan 8.370 nan 0.000 0.571 964 L N 0.523 121.893 121.223 0.246 0.000 2.418 964 L HA -0.032 4.308 4.340 0.001 0.000 0.218 964 L C 1.770 178.783 176.870 0.237 0.000 1.125 964 L CA 1.271 56.265 54.840 0.257 0.000 0.835 964 L CB -0.709 41.451 42.059 0.168 0.000 0.953 964 L HN 0.288 nan 8.230 nan 0.000 0.454 965 T N -1.198 113.483 114.554 0.212 0.000 2.976 965 T HA -0.064 4.286 4.350 0.001 0.000 0.257 965 T C 1.806 176.651 174.700 0.241 0.000 1.051 965 T CA 0.389 62.614 62.100 0.209 0.000 1.141 965 T CB 0.191 69.181 68.868 0.205 0.000 0.881 965 T HN 0.246 nan 8.240 nan 0.000 0.461 966 Q N 0.313 120.258 119.800 0.242 0.000 2.020 966 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 966 Q C 2.126 178.186 176.000 0.100 0.000 0.982 966 Q CA 1.452 57.373 55.803 0.196 0.000 0.838 966 Q CB -0.553 28.236 28.738 0.084 0.000 0.899 966 Q HN 0.638 nan 8.270 nan 0.000 0.423 967 W N 1.001 122.370 121.300 0.115 0.000 2.338 967 W HA -0.215 4.446 4.660 0.001 0.000 0.304 967 W C 2.250 178.795 176.519 0.042 0.000 1.212 967 W CA 0.570 57.971 57.345 0.093 0.000 1.264 967 W CB -0.344 29.201 29.460 0.140 0.000 1.142 967 W HN 0.194 nan 8.180 nan 0.000 0.512 968 L N 0.256 121.658 121.223 0.300 0.000 2.043 968 L HA -0.261 4.079 4.340 0.001 0.000 0.212 968 L C 2.338 179.242 176.870 0.056 0.000 1.075 968 L CA 2.159 57.094 54.840 0.159 0.000 0.752 968 L CB -0.980 41.152 42.059 0.121 0.000 0.891 968 L HN 0.055 nan 8.230 nan 0.000 0.432 969 M N -1.327 118.249 119.600 -0.040 0.000 2.117 969 M HA -0.132 4.349 4.480 0.001 0.000 0.262 969 M C 1.987 178.172 176.300 -0.192 0.000 1.065 969 M CA 1.948 57.082 55.300 -0.277 0.000 1.114 969 M CB -0.547 31.632 32.600 -0.702 0.000 1.361 969 M HN 0.132 nan 8.290 nan 0.000 0.408 970 V N 0.126 120.008 119.914 -0.054 0.000 2.261 970 V HA -0.274 3.847 4.120 0.001 0.000 0.246 970 V C 2.366 178.510 176.094 0.084 0.000 1.047 970 V CA 1.891 64.203 62.300 0.020 0.000 1.015 970 V CB -0.969 30.934 31.823 0.134 0.000 0.642 970 V HN 0.521 nan 8.190 nan 0.000 0.446 971 L N -0.487 120.829 121.223 0.154 0.000 2.353 971 L HA -0.103 4.237 4.340 0.001 0.000 0.220 971 L C 2.461 179.362 176.870 0.052 0.000 1.133 971 L CA 1.081 55.987 54.840 0.111 0.000 0.798 971 L CB -0.551 41.575 42.059 0.112 0.000 0.922 971 L HN 0.294 nan 8.230 nan 0.000 0.445 972 K N -0.094 120.314 120.400 0.013 0.000 2.314 972 K HA 0.080 4.400 4.320 0.001 0.000 0.198 972 K C 1.853 178.446 176.600 -0.011 0.000 1.045 972 K CA 0.829 57.108 56.287 -0.013 0.000 0.988 972 K CB 0.482 32.949 32.500 -0.056 0.000 0.783 972 K HN 0.326 nan 8.250 nan 0.000 0.484 973 I N -0.022 120.534 120.570 -0.024 0.000 3.854 973 I HA -0.049 4.121 4.170 0.001 0.000 0.312 973 I C 1.305 177.480 176.117 0.096 0.000 1.273 973 I CA 0.378 61.676 61.300 -0.004 0.000 1.298 973 I CB 0.479 38.411 38.000 -0.113 0.000 1.071 973 I HN -0.095 nan 8.210 nan 0.000 0.428 974 S N 0.717 116.470 115.700 0.088 0.000 2.398 974 S HA 0.086 4.556 4.470 0.001 0.000 0.220 974 S C 1.771 176.444 174.600 0.122 0.000 1.046 974 S CA 0.244 58.523 58.200 0.132 0.000 0.953 974 S CB -0.089 63.169 63.200 0.096 0.000 0.856 974 S HN 0.233 nan 8.310 nan 0.000 0.506 975 L N 2.578 123.847 121.223 0.076 0.000 2.064 975 L HA -0.111 4.229 4.340 0.001 0.000 0.216 975 L C -0.808 176.074 176.870 0.021 0.000 1.077 975 L CA 1.906 56.772 54.840 0.043 0.000 0.766 975 L CB -2.559 39.519 42.059 0.031 0.000 0.890 975 L HN 0.288 nan 8.230 nan 0.000 0.435 976 P HA -0.096 nan 4.420 nan 0.000 0.236 976 P C 1.871 179.090 177.300 -0.135 0.000 1.172 976 P CA 0.690 63.776 63.100 -0.023 0.000 0.759 976 P CB -0.014 31.701 31.700 0.024 0.000 0.843 977 V N 0.123 119.970 119.914 -0.111 0.000 2.515 977 V HA -0.193 3.927 4.120 0.001 0.000 0.250 977 V C 2.344 178.347 176.094 -0.152 0.000 1.058 977 V CA 1.256 63.415 62.300 -0.236 0.000 1.064 977 V CB -0.795 31.014 31.823 -0.024 0.000 0.675 977 V HN -0.048 nan 8.190 nan 0.000 0.461 978 I N 0.486 121.011 120.570 -0.075 0.000 2.226 978 I HA -0.138 4.033 4.170 0.001 0.000 0.245 978 I C 2.598 178.674 176.117 -0.069 0.000 1.100 978 I CA 1.599 62.867 61.300 -0.054 0.000 1.374 978 I CB -1.085 36.894 38.000 -0.035 0.000 1.057 978 I HN 0.431 nan 8.210 nan 0.000 0.413 979 G N 1.301 110.052 108.800 -0.082 0.000 2.446 979 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 979 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 979 G C 1.654 176.498 174.900 -0.093 0.000 1.168 979 G CA 0.819 45.871 45.100 -0.079 0.000 0.771 979 G HN 0.277 nan 8.290 nan 0.000 0.551 980 L N 1.040 122.172 121.223 -0.152 0.000 1.990 980 L HA -0.089 4.252 4.340 0.001 0.000 0.213 980 L C 2.189 178.998 176.870 -0.101 0.000 1.072 980 L CA 2.891 57.632 54.840 -0.165 0.000 0.755 980 L CB -0.860 41.008 42.059 -0.318 0.000 0.889 980 L HN 0.240 nan 8.230 nan 0.000 0.432 981 D N -0.936 119.403 120.400 -0.101 0.000 2.117 981 D HA -0.227 4.414 4.640 0.001 0.000 0.197 981 D C 2.107 178.405 176.300 -0.003 0.000 0.987 981 D CA 1.091 55.055 54.000 -0.059 0.000 0.829 981 D CB 0.002 40.772 40.800 -0.050 0.000 0.961 981 D HN 0.475 nan 8.370 nan 0.000 0.460 982 E N -0.554 119.642 120.200 -0.006 0.000 2.204 982 E HA -0.114 4.236 4.350 0.001 0.000 0.195 982 E C 1.761 178.404 176.600 0.071 0.000 0.990 982 E CA 0.664 57.080 56.400 0.027 0.000 0.821 982 E CB -0.013 29.684 29.700 -0.005 0.000 0.750 982 E HN 0.322 nan 8.360 nan 0.000 0.477 983 I N -0.164 120.435 120.570 0.049 0.000 2.339 983 I HA -0.135 4.035 4.170 0.001 0.000 0.245 983 I C 2.140 178.376 176.117 0.198 0.000 1.096 983 I CA 0.727 62.078 61.300 0.085 0.000 1.408 983 I CB -0.982 37.031 38.000 0.022 0.000 1.092 983 I HN 0.200 nan 8.210 nan 0.000 0.423 984 L N 0.618 121.950 121.223 0.182 0.000 2.079 984 L HA -0.239 4.101 4.340 0.001 0.000 0.210 984 L C 2.556 179.697 176.870 0.452 0.000 1.081 984 L CA 1.459 56.503 54.840 0.340 0.000 0.752 984 L CB -0.516 41.623 42.059 0.133 0.000 0.896 984 L HN 0.233 nan 8.230 nan 0.000 0.433 985 K N -0.671 119.899 120.400 0.283 0.000 2.026 985 K HA -0.204 4.116 4.320 0.001 0.000 0.208 985 K C 2.090 178.823 176.600 0.222 0.000 1.048 985 K CA 1.497 57.934 56.287 0.249 0.000 0.929 985 K CB -0.343 32.252 32.500 0.158 0.000 0.713 985 K HN 0.057 nan 8.250 nan 0.000 0.439 986 F N 2.080 122.086 119.950 0.094 0.000 2.120 986 F HA -0.193 4.335 4.527 0.001 0.000 0.300 986 F C 1.905 177.755 175.800 0.084 0.000 1.095 986 F CA 1.377 59.428 58.000 0.085 0.000 1.249 986 F CB -0.172 38.874 39.000 0.077 0.000 0.995 986 F HN -0.077 nan 8.300 nan 0.000 0.480 987 I N -0.409 120.277 120.570 0.193 0.000 2.623 987 I HA -0.321 3.849 4.170 0.001 0.000 0.261 987 I C 2.201 178.106 176.117 -0.353 0.000 1.204 987 I CA 1.185 62.411 61.300 -0.123 0.000 1.444 987 I CB -0.746 37.220 38.000 -0.056 0.000 1.094 987 I HN 0.265 nan 8.210 nan 0.000 0.451 988 A N 0.273 122.914 122.820 -0.299 0.000 1.997 988 A HA 0.062 4.382 4.320 0.001 0.000 0.198 988 A C 2.277 179.746 177.584 -0.191 0.000 1.449 988 A CA -0.063 51.726 52.037 -0.414 0.000 0.908 988 A CB -0.234 18.415 19.000 -0.585 0.000 0.984 988 A HN 0.232 nan 8.150 nan 0.000 0.487 989 R N 0.094 120.516 120.500 -0.131 0.000 2.293 989 R HA -0.025 4.316 4.340 0.001 0.000 0.219 989 R C 0.305 176.460 176.300 -0.243 0.000 1.091 989 R CA 1.565 57.579 56.100 -0.142 0.000 1.004 989 R CB -0.069 30.172 30.300 -0.098 0.000 0.865 989 R HN 0.484 nan 8.270 nan 0.000 0.469 990 N N -1.677 116.844 118.700 -0.299 0.000 2.118 990 N HA 0.040 4.780 4.740 0.001 0.000 0.226 990 N C -0.281 174.993 175.510 -0.393 0.000 1.305 990 N CA 0.160 52.961 53.050 -0.415 0.000 0.890 990 N CB 0.735 38.740 38.487 -0.803 0.000 1.118 990 N HN 0.128 nan 8.380 nan 0.000 0.511 991 Y N 0.021 120.150 120.300 -0.285 0.000 3.266 991 Y HA 0.216 4.767 4.550 0.001 0.000 0.189 991 Y C 1.782 177.545 175.900 -0.228 0.000 0.895 991 Y CA -0.387 57.575 58.100 -0.229 0.000 1.706 991 Y CB -0.504 37.819 38.460 -0.229 0.000 1.449 991 Y HN -0.210 nan 8.280 nan 0.000 0.391 992 L N 1.012 122.169 121.223 -0.111 0.000 1.934 992 L HA -0.175 4.165 4.340 0.001 0.000 0.227 992 L C 0.022 176.818 176.870 -0.124 0.000 1.084 992 L CA 2.189 56.918 54.840 -0.185 0.000 0.790 992 L CB -0.246 41.596 42.059 -0.363 0.000 0.896 992 L HN 0.288 nan 8.230 nan 0.000 0.437 993 E N -0.971 119.154 120.200 -0.125 0.000 3.374 993 E HA 0.525 4.875 4.350 0.001 0.000 0.223 993 E C -0.474 176.076 176.600 -0.085 0.000 1.210 993 E CA 0.187 56.537 56.400 -0.083 0.000 0.987 993 E CB 0.582 30.253 29.700 -0.048 0.000 1.322 993 E HN 0.513 nan 8.360 nan 0.000 0.404 994 G N 0.000 108.736 108.800 -0.107 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.031 45.100 -0.115 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925