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 1t5t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQCTEDH PHFEGLDCEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.343 176.300 0.071 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.766 32.600 0.277 0.000 1.302 2 E N 2.993 123.177 120.200 -0.028 0.000 2.287 2 E HA 0.538 4.898 4.350 0.017 0.000 0.274 2 E C -0.231 176.298 176.600 -0.119 0.000 0.896 2 E CA 0.129 56.394 56.400 -0.226 0.000 0.788 2 E CB 2.249 31.806 29.700 -0.239 0.000 1.244 2 E HN 0.865 nan 8.360 nan 0.000 0.408 3 A N 2.284 125.016 122.820 -0.145 0.000 2.119 3 A HA 0.195 4.525 4.320 0.017 0.000 0.217 3 A C 0.882 178.387 177.584 -0.131 0.000 1.153 3 A CA 1.281 53.269 52.037 -0.083 0.000 0.692 3 A CB 0.198 19.155 19.000 -0.072 0.000 0.799 3 A HN 0.402 nan 8.150 nan 0.000 0.458 4 A N -0.162 122.530 122.820 -0.214 0.000 2.331 4 A HA 0.584 4.914 4.320 0.017 0.000 0.320 4 A C 0.477 177.918 177.584 -0.240 0.000 1.138 4 A CA -0.269 51.552 52.037 -0.360 0.000 0.790 4 A CB 0.400 19.214 19.000 -0.311 0.000 1.206 4 A HN 0.546 nan 8.150 nan 0.000 0.470 5 H N 0.865 119.922 119.070 -0.021 0.000 2.705 5 H HA 0.089 4.655 4.556 0.017 0.000 0.269 5 H C 0.849 176.173 175.328 -0.006 0.000 0.998 5 H CA 0.945 56.982 56.048 -0.018 0.000 1.193 5 H CB 0.058 29.819 29.762 -0.002 0.000 1.485 5 H HN 0.604 nan 8.280 nan 0.000 0.521 6 S N 0.197 115.706 115.700 -0.318 0.000 2.577 6 S HA 0.224 4.704 4.470 0.017 0.000 0.219 6 S C 0.460 175.013 174.600 -0.077 0.000 0.962 6 S CA -0.595 57.541 58.200 -0.106 0.000 0.921 6 S CB 0.322 63.406 63.200 -0.193 0.000 0.789 6 S HN 0.184 nan 8.310 nan 0.000 0.497 7 K N 1.942 122.289 120.400 -0.088 0.000 2.166 7 K HA 0.522 4.852 4.320 0.017 0.000 0.245 7 K C 0.213 176.806 176.600 -0.012 0.000 0.967 7 K CA -0.545 55.711 56.287 -0.051 0.000 0.863 7 K CB 1.575 34.029 32.500 -0.078 0.000 1.107 7 K HN 0.331 nan 8.250 nan 0.000 0.436 8 S N -0.640 115.062 115.700 0.003 0.000 2.617 8 S HA -0.012 4.468 4.470 0.017 0.000 0.259 8 S C 1.492 176.107 174.600 0.024 0.000 1.301 8 S CA 0.094 58.305 58.200 0.019 0.000 0.984 8 S CB 0.816 64.028 63.200 0.020 0.000 0.954 8 S HN 0.770 nan 8.310 nan 0.000 0.572 9 T N -1.470 113.102 114.554 0.029 0.000 2.674 9 T HA -0.155 4.205 4.350 0.017 0.000 0.265 9 T C 1.587 176.313 174.700 0.043 0.000 1.039 9 T CA 1.317 63.437 62.100 0.033 0.000 1.150 9 T CB -0.853 68.032 68.868 0.028 0.000 0.864 9 T HN 0.600 nan 8.240 nan 0.000 0.427 10 E N 1.561 121.783 120.200 0.037 0.000 2.065 10 E HA -0.195 4.165 4.350 0.017 0.000 0.201 10 E C 2.266 178.899 176.600 0.055 0.000 1.016 10 E CA 1.773 58.198 56.400 0.041 0.000 0.818 10 E CB -0.448 29.270 29.700 0.030 0.000 0.749 10 E HN 0.737 nan 8.360 nan 0.000 0.453 11 E N -0.525 119.702 120.200 0.045 0.000 2.097 11 E HA -0.213 4.147 4.350 0.017 0.000 0.196 11 E C 2.340 178.990 176.600 0.083 0.000 1.000 11 E CA 1.579 58.010 56.400 0.051 0.000 0.804 11 E CB -0.154 29.560 29.700 0.023 0.000 0.740 11 E HN 0.334 nan 8.360 nan 0.000 0.454 12 C N 0.506 119.854 119.300 0.080 0.000 2.432 12 C HA -0.106 4.364 4.460 0.017 0.000 0.277 12 C C 2.585 177.744 174.990 0.282 0.000 1.249 12 C CA 0.277 59.380 59.018 0.143 0.000 1.725 12 C CB -1.012 26.806 27.740 0.130 0.000 2.028 12 C HN 0.400 nan 8.230 nan 0.000 0.477 13 L N 1.460 122.802 121.223 0.199 0.000 1.990 13 L HA -0.234 4.116 4.340 0.017 0.000 0.213 13 L C 2.948 179.939 176.870 0.202 0.000 1.072 13 L CA 1.981 56.938 54.840 0.195 0.000 0.755 13 L CB -0.986 41.136 42.059 0.106 0.000 0.889 13 L HN 0.364 nan 8.230 nan 0.000 0.432 14 A N -0.979 121.926 122.820 0.141 0.000 1.933 14 A HA -0.288 4.042 4.320 0.017 0.000 0.218 14 A C 2.190 179.834 177.584 0.099 0.000 1.175 14 A CA 1.506 53.604 52.037 0.101 0.000 0.628 14 A CB -0.977 18.062 19.000 0.066 0.000 0.814 14 A HN 0.498 nan 8.150 nan 0.000 0.444 15 Y N -0.644 119.632 120.300 -0.039 0.000 2.139 15 Y HA -0.274 4.286 4.550 0.017 0.000 0.282 15 Y C 1.639 177.398 175.900 -0.235 0.000 1.179 15 Y CA 2.322 60.307 58.100 -0.192 0.000 1.161 15 Y CB -0.308 37.945 38.460 -0.345 0.000 0.970 15 Y HN 0.304 nan 8.280 nan 0.000 0.511 16 F N -0.654 119.430 119.950 0.223 0.000 2.746 16 F HA 0.300 4.837 4.527 0.017 0.000 0.297 16 F C 1.606 177.468 175.800 0.104 0.000 1.113 16 F CA 0.455 58.564 58.000 0.181 0.000 1.367 16 F CB 0.223 39.370 39.000 0.244 0.000 1.111 16 F HN 0.054 nan 8.300 nan 0.000 0.590 17 G N 1.954 110.884 108.800 0.216 0.000 2.326 17 G HA2 -0.096 3.874 3.960 0.017 0.000 0.286 17 G HA3 -0.096 3.874 3.960 0.017 0.000 0.286 17 G C -0.467 174.511 174.900 0.129 0.000 1.096 17 G CA 0.132 45.309 45.100 0.129 0.000 1.003 17 G HN 0.573 nan 8.290 nan 0.000 0.503 18 V N -2.599 117.396 119.914 0.134 0.000 2.531 18 V HA 0.867 4.997 4.120 0.017 0.000 0.301 18 V C 0.353 176.480 176.094 0.055 0.000 1.034 18 V CA -0.549 61.803 62.300 0.087 0.000 0.865 18 V CB 1.969 33.843 31.823 0.084 0.000 0.995 18 V HN 0.654 nan 8.190 nan 0.000 0.424 19 S N 3.557 119.273 115.700 0.027 0.000 2.443 19 S HA 0.130 4.610 4.470 0.017 0.000 0.284 19 S C 1.091 175.680 174.600 -0.017 0.000 1.206 19 S CA 0.166 58.369 58.200 0.005 0.000 1.074 19 S CB 0.714 63.912 63.200 -0.003 0.000 0.963 19 S HN 1.012 nan 8.310 nan 0.000 0.501 20 E N 2.929 123.116 120.200 -0.021 0.000 2.136 20 E HA -0.265 4.095 4.350 0.017 0.000 0.202 20 E C 1.808 178.338 176.600 -0.117 0.000 1.019 20 E CA 2.029 58.403 56.400 -0.045 0.000 0.819 20 E CB -0.061 29.617 29.700 -0.037 0.000 0.739 20 E HN 0.858 nan 8.360 nan 0.000 0.458 21 T N -2.839 111.624 114.554 -0.151 0.000 3.054 21 T HA -0.048 4.312 4.350 0.017 0.000 0.259 21 T C 1.976 176.494 174.700 -0.303 0.000 1.092 21 T CA 1.314 63.236 62.100 -0.296 0.000 1.121 21 T CB -0.056 68.677 68.868 -0.225 0.000 0.912 21 T HN 0.234 nan 8.240 nan 0.000 0.489 22 T N -0.671 113.810 114.554 -0.121 0.000 3.021 22 T HA 0.473 4.833 4.350 0.017 0.000 0.245 22 T C 1.333 176.053 174.700 0.033 0.000 1.028 22 T CA 0.819 62.901 62.100 -0.031 0.000 1.139 22 T CB -0.703 68.160 68.868 -0.009 0.000 0.884 22 T HN 1.200 nan 8.240 nan 0.000 0.457 23 G N 1.713 110.520 108.800 0.012 0.000 2.781 23 G HA2 0.024 3.994 3.960 0.017 0.000 0.683 23 G HA3 0.024 3.994 3.960 0.017 0.000 0.683 23 G C -0.791 174.109 174.900 -0.000 0.000 1.390 23 G CA -0.642 44.471 45.100 0.021 0.000 0.850 23 G HN 0.603 nan 8.290 nan 0.000 0.557 24 L N 1.044 122.243 121.223 -0.039 0.000 2.581 24 L HA 0.280 4.630 4.340 0.017 0.000 0.299 24 L C 2.015 178.869 176.870 -0.027 0.000 1.261 24 L CA 1.093 55.896 54.840 -0.063 0.000 0.866 24 L CB -0.381 41.589 42.059 -0.148 0.000 1.113 24 L HN 1.160 nan 8.230 nan 0.000 0.514 25 T N 0.885 115.431 114.554 -0.014 0.000 2.874 25 T HA 0.340 4.700 4.350 0.017 0.000 0.281 25 T C -1.759 172.943 174.700 0.002 0.000 0.994 25 T CA -1.643 60.459 62.100 0.003 0.000 1.015 25 T CB 0.836 69.714 68.868 0.016 0.000 1.028 25 T HN 0.439 nan 8.240 nan 0.000 0.523 26 P HA -0.121 nan 4.420 nan 0.000 0.216 26 P C 1.043 178.357 177.300 0.024 0.000 1.154 26 P CA 1.163 64.271 63.100 0.014 0.000 0.865 26 P CB 0.008 31.718 31.700 0.016 0.000 0.789 27 D N -1.513 118.905 120.400 0.030 0.000 2.183 27 D HA -0.121 4.529 4.640 0.017 0.000 0.203 27 D C 2.026 178.372 176.300 0.075 0.000 0.969 27 D CA 0.917 54.944 54.000 0.044 0.000 0.842 27 D CB -0.294 40.529 40.800 0.038 0.000 0.957 27 D HN 0.125 nan 8.370 nan 0.000 0.484 28 Q N -0.587 119.254 119.800 0.069 0.000 2.124 28 Q HA -0.084 4.266 4.340 0.017 0.000 0.202 28 Q C 2.174 178.242 176.000 0.113 0.000 0.977 28 Q CA 0.955 56.825 55.803 0.113 0.000 0.850 28 Q CB 0.185 28.929 28.738 0.010 0.000 0.901 28 Q HN 0.202 nan 8.270 nan 0.000 0.429 29 V N 0.775 120.697 119.914 0.014 0.000 2.515 29 V HA -0.241 3.889 4.120 0.017 0.000 0.250 29 V C 2.119 178.263 176.094 0.083 0.000 1.058 29 V CA 1.642 63.951 62.300 0.015 0.000 1.064 29 V CB -0.366 31.450 31.823 -0.012 0.000 0.675 29 V HN 0.273 nan 8.190 nan 0.000 0.461 30 K N 0.021 120.466 120.400 0.075 0.000 2.025 30 K HA -0.160 4.170 4.320 0.017 0.000 0.207 30 K C 2.425 179.067 176.600 0.069 0.000 1.049 30 K CA 1.364 57.685 56.287 0.057 0.000 0.933 30 K CB -0.117 32.407 32.500 0.041 0.000 0.714 30 K HN 0.283 nan 8.250 nan 0.000 0.438 31 R N -0.687 119.881 120.500 0.113 0.000 2.080 31 R HA -0.152 4.198 4.340 0.017 0.000 0.236 31 R C 2.318 178.652 176.300 0.057 0.000 1.137 31 R CA 2.067 58.208 56.100 0.070 0.000 0.943 31 R CB -0.422 29.924 30.300 0.076 0.000 0.846 31 R HN 0.365 nan 8.270 nan 0.000 0.431 32 H N 0.276 119.385 119.070 0.064 0.000 2.421 32 H HA -0.068 4.498 4.556 0.017 0.000 0.298 32 H C 1.983 177.399 175.328 0.146 0.000 1.087 32 H CA 1.192 57.355 56.048 0.192 0.000 1.330 32 H CB -0.208 29.724 29.762 0.283 0.000 1.388 32 H HN 0.119 nan 8.280 nan 0.000 0.526 33 L N 0.212 121.520 121.223 0.142 0.000 1.989 33 L HA -0.197 4.153 4.340 0.017 0.000 0.211 33 L C 2.475 179.315 176.870 -0.051 0.000 1.071 33 L CA 1.411 56.236 54.840 -0.025 0.000 0.749 33 L CB -0.298 41.688 42.059 -0.122 0.000 0.890 33 L HN 0.322 nan 8.230 nan 0.000 0.431 34 E N 0.176 120.346 120.200 -0.050 0.000 2.085 34 E HA -0.275 4.085 4.350 0.017 0.000 0.194 34 E C 2.110 178.636 176.600 -0.124 0.000 0.994 34 E CA 1.355 57.712 56.400 -0.071 0.000 0.801 34 E CB -0.075 29.588 29.700 -0.061 0.000 0.743 34 E HN 0.387 nan 8.360 nan 0.000 0.453 35 K N -0.755 119.507 120.400 -0.229 0.000 2.296 35 K HA -0.101 4.229 4.320 0.017 0.000 0.200 35 K C 0.913 177.203 176.600 -0.516 0.000 1.048 35 K CA 0.895 56.901 56.287 -0.468 0.000 0.966 35 K CB 0.184 32.207 32.500 -0.796 0.000 0.754 35 K HN 0.070 nan 8.250 nan 0.000 0.466 36 Y N -0.909 119.390 120.300 -0.000 0.000 2.448 36 Y HA 0.310 4.871 4.550 0.017 0.000 0.257 36 Y C 0.709 176.613 175.900 0.007 0.000 1.089 36 Y CA 0.003 58.117 58.100 0.023 0.000 1.245 36 Y CB 1.149 39.645 38.460 0.061 0.000 1.282 36 Y HN 0.183 nan 8.280 nan 0.000 0.529 37 G N 0.531 109.385 108.800 0.090 0.000 2.828 37 G HA2 -0.257 3.713 3.960 0.017 0.000 0.463 37 G HA3 -0.257 3.713 3.960 0.017 0.000 0.463 37 G C -0.827 174.066 174.900 -0.012 0.000 1.394 37 G CA -0.596 44.517 45.100 0.022 0.000 0.862 37 G HN 0.424 nan 8.290 nan 0.000 0.540 38 H N -0.257 118.856 119.070 0.072 0.000 2.607 38 H HA 0.391 4.957 4.556 0.017 0.000 0.367 38 H C 1.050 176.407 175.328 0.048 0.000 1.181 38 H CA 0.632 56.713 56.048 0.054 0.000 1.402 38 H CB 0.702 30.484 29.762 0.033 0.000 1.474 38 H HN 0.626 nan 8.280 nan 0.000 0.596 39 N N 2.483 121.285 118.700 0.170 0.000 2.739 39 N HA 0.021 4.771 4.740 0.017 0.000 0.266 39 N C -1.271 174.285 175.510 0.077 0.000 1.168 39 N CA -0.238 52.867 53.050 0.092 0.000 1.055 39 N CB -0.237 38.283 38.487 0.055 0.000 1.393 39 N HN 0.735 nan 8.380 nan 0.000 0.514 40 E N 1.329 121.574 120.200 0.075 0.000 2.409 40 E HA 0.266 4.626 4.350 0.017 0.000 0.280 40 E C -1.569 175.059 176.600 0.047 0.000 1.079 40 E CA -0.904 55.526 56.400 0.050 0.000 0.840 40 E CB 0.541 30.265 29.700 0.041 0.000 1.309 40 E HN 0.122 nan 8.360 nan 0.000 0.447 41 L N 1.928 123.169 121.223 0.031 0.000 2.296 41 L HA 0.369 4.719 4.340 0.017 0.000 0.286 41 L C -1.709 175.173 176.870 0.021 0.000 1.023 41 L CA -1.907 52.949 54.840 0.027 0.000 0.812 41 L CB 1.235 43.305 42.059 0.018 0.000 1.223 41 L HN 0.555 nan 8.230 nan 0.000 0.421 42 P HA -0.169 nan 4.420 nan 0.000 0.215 42 P C 1.355 178.662 177.300 0.011 0.000 1.157 42 P CA 1.257 64.369 63.100 0.021 0.000 0.863 42 P CB 0.155 31.870 31.700 0.025 0.000 0.787 43 A N 0.128 122.953 122.820 0.008 0.000 2.663 43 A HA -0.432 3.898 4.320 0.017 0.000 0.252 43 A C 1.708 179.289 177.584 -0.006 0.000 1.571 43 A CA 3.187 55.224 52.037 0.000 0.000 1.056 43 A CB -1.769 17.229 19.000 -0.002 0.000 0.500 43 A HN 0.369 nan 8.150 nan 0.000 0.435 44 E N -2.459 117.735 120.200 -0.010 0.000 3.812 44 E HA -0.265 4.095 4.350 0.017 0.000 0.321 44 E C 0.218 176.804 176.600 -0.024 0.000 0.674 44 E CA 1.612 58.004 56.400 -0.014 0.000 1.113 44 E CB -0.830 28.864 29.700 -0.010 0.000 1.602 44 E HN 0.777 nan 8.360 nan 0.000 0.440 45 E N -0.748 119.436 120.200 -0.027 0.000 2.239 45 E HA 0.431 4.791 4.350 0.017 0.000 0.261 45 E C 0.172 176.733 176.600 -0.065 0.000 1.016 45 E CA -0.133 56.243 56.400 -0.040 0.000 0.882 45 E CB 1.166 30.852 29.700 -0.024 0.000 1.190 45 E HN 0.322 nan 8.360 nan 0.000 0.415 46 G N 1.834 110.572 108.800 -0.103 0.000 2.256 46 G HA2 -0.313 3.657 3.960 0.017 0.000 0.218 46 G HA3 -0.313 3.657 3.960 0.017 0.000 0.218 46 G C 0.344 175.165 174.900 -0.132 0.000 0.485 46 G CA 0.723 45.730 45.100 -0.156 0.000 1.003 46 G HN 0.465 nan 8.290 nan 0.000 0.360 47 K N 0.194 120.505 120.400 -0.148 0.000 2.348 47 K HA 0.231 4.561 4.320 0.017 0.000 0.194 47 K C 1.151 177.675 176.600 -0.127 0.000 1.052 47 K CA 1.004 57.223 56.287 -0.113 0.000 1.004 47 K CB 0.515 32.959 32.500 -0.093 0.000 0.873 47 K HN 0.841 nan 8.250 nan 0.000 0.523 48 S N 0.342 115.929 115.700 -0.189 0.000 2.566 48 S HA 0.390 4.870 4.470 0.017 0.000 0.273 48 S C -0.693 173.724 174.600 -0.305 0.000 1.157 48 S CA -1.041 57.049 58.200 -0.184 0.000 0.938 48 S CB 1.020 64.135 63.200 -0.142 0.000 1.087 48 S HN 0.043 nan 8.310 nan 0.000 0.474 49 L N 4.189 125.282 121.223 -0.216 0.000 2.361 49 L HA 0.219 4.569 4.340 0.017 0.000 0.278 49 L C 1.447 178.270 176.870 -0.078 0.000 1.113 49 L CA -0.914 53.797 54.840 -0.215 0.000 0.849 49 L CB 0.100 42.157 42.059 -0.003 0.000 1.155 49 L HN 0.867 nan 8.230 nan 0.000 0.452 50 W N 1.652 122.945 121.300 -0.012 0.000 2.219 50 W HA -0.361 4.309 4.660 0.017 0.000 0.341 50 W C 1.918 178.441 176.519 0.007 0.000 1.395 50 W CA 1.666 59.004 57.345 -0.013 0.000 1.404 50 W CB -0.537 28.910 29.460 -0.022 0.000 1.089 50 W HN 0.748 nan 8.180 nan 0.000 0.481 51 E N 0.065 120.430 120.200 0.275 0.000 2.033 51 E HA -0.226 4.134 4.350 0.017 0.000 0.199 51 E C 2.314 178.980 176.600 0.111 0.000 1.011 51 E CA 1.697 58.195 56.400 0.163 0.000 0.815 51 E CB -0.714 29.066 29.700 0.134 0.000 0.755 51 E HN 0.264 nan 8.360 nan 0.000 0.451 52 L N 0.461 121.727 121.223 0.071 0.000 2.011 52 L HA -0.307 4.043 4.340 0.017 0.000 0.225 52 L C 2.588 179.488 176.870 0.049 0.000 1.084 52 L CA 1.504 56.367 54.840 0.039 0.000 0.791 52 L CB -0.572 41.484 42.059 -0.005 0.000 0.898 52 L HN 0.107 nan 8.230 nan 0.000 0.440 53 V N -0.512 119.424 119.914 0.037 0.000 2.515 53 V HA -0.276 3.854 4.120 0.017 0.000 0.250 53 V C 2.358 178.501 176.094 0.081 0.000 1.058 53 V CA 1.204 63.526 62.300 0.037 0.000 1.064 53 V CB -0.445 31.384 31.823 0.011 0.000 0.675 53 V HN 0.330 nan 8.190 nan 0.000 0.461 54 I N 0.552 121.198 120.570 0.127 0.000 2.264 54 I HA -0.198 3.982 4.170 0.017 0.000 0.248 54 I C 1.602 177.889 176.117 0.284 0.000 1.111 54 I CA 1.413 62.833 61.300 0.201 0.000 1.382 54 I CB -0.923 37.202 38.000 0.208 0.000 1.060 54 I HN 0.469 nan 8.210 nan 0.000 0.418 55 E N 1.644 121.970 120.200 0.210 0.000 2.676 55 E HA -0.041 4.319 4.350 0.017 0.000 0.318 55 E C 0.673 177.370 176.600 0.162 0.000 1.514 55 E CA -0.092 56.446 56.400 0.230 0.000 1.667 55 E CB -0.171 29.607 29.700 0.129 0.000 1.336 55 E HN 0.328 nan 8.360 nan 0.000 0.492 56 Q N 0.543 120.419 119.800 0.126 0.000 2.225 56 Q HA 0.159 4.509 4.340 0.017 0.000 0.259 56 Q C -0.396 175.548 176.000 -0.093 0.000 0.872 56 Q CA -0.223 55.589 55.803 0.015 0.000 1.042 56 Q CB 0.221 28.938 28.738 -0.036 0.000 1.142 56 Q HN 0.333 nan 8.270 nan 0.000 0.463 57 F N 0.348 120.309 119.950 0.018 0.000 2.112 57 F HA 0.029 4.566 4.527 0.017 0.000 0.268 57 F C 1.820 177.625 175.800 0.009 0.000 1.100 57 F CA 0.332 58.341 58.000 0.015 0.000 1.170 57 F CB 0.331 39.340 39.000 0.015 0.000 1.714 57 F HN 0.218 nan 8.300 nan 0.000 0.525 58 E N -1.009 119.318 120.200 0.212 0.000 4.153 58 E HA -0.216 4.144 4.350 0.017 0.000 0.376 58 E C -0.620 176.018 176.600 0.064 0.000 0.598 58 E CA 0.759 57.223 56.400 0.106 0.000 1.343 58 E CB -1.080 28.671 29.700 0.085 0.000 1.793 58 E HN 0.563 nan 8.360 nan 0.000 0.392 59 D N 0.578 121.010 120.400 0.052 0.000 2.360 59 D HA 0.127 4.777 4.640 0.017 0.000 0.242 59 D C 2.010 178.324 176.300 0.023 0.000 1.184 59 D CA 0.559 54.572 54.000 0.022 0.000 0.930 59 D CB 0.381 41.178 40.800 -0.004 0.000 1.161 59 D HN 0.299 nan 8.370 nan 0.000 0.447 60 L N -0.896 120.335 121.223 0.013 0.000 2.054 60 L HA -0.308 4.042 4.340 0.017 0.000 0.240 60 L C 1.878 178.754 176.870 0.009 0.000 1.107 60 L CA 1.762 56.607 54.840 0.008 0.000 0.833 60 L CB -0.955 41.106 42.059 0.004 0.000 0.929 60 L HN 0.316 nan 8.230 nan 0.000 0.447 61 L N -0.998 120.230 121.223 0.008 0.000 2.554 61 L HA 0.077 4.427 4.340 0.017 0.000 0.225 61 L C 2.320 179.201 176.870 0.019 0.000 1.104 61 L CA -0.262 54.582 54.840 0.006 0.000 0.866 61 L CB 0.192 42.254 42.059 0.004 0.000 1.047 61 L HN 0.141 nan 8.230 nan 0.000 0.468 62 V N -0.010 119.920 119.914 0.027 0.000 2.591 62 V HA -0.127 4.003 4.120 0.017 0.000 0.249 62 V C 2.528 178.677 176.094 0.092 0.000 1.053 62 V CA 1.315 63.645 62.300 0.050 0.000 1.068 62 V CB -0.516 31.318 31.823 0.017 0.000 0.689 62 V HN 0.407 nan 8.190 nan 0.000 0.462 63 R N -0.246 120.300 120.500 0.076 0.000 2.115 63 R HA -0.066 4.284 4.340 0.017 0.000 0.230 63 R C 2.212 178.537 176.300 0.041 0.000 1.111 63 R CA 1.140 57.280 56.100 0.068 0.000 0.976 63 R CB -0.261 30.069 30.300 0.049 0.000 0.870 63 R HN 0.374 nan 8.270 nan 0.000 0.445 64 I N 0.774 121.360 120.570 0.027 0.000 2.142 64 I HA -0.262 3.918 4.170 0.017 0.000 0.240 64 I C 2.225 178.349 176.117 0.013 0.000 1.078 64 I CA 1.375 62.682 61.300 0.010 0.000 1.343 64 I CB -0.835 37.163 38.000 -0.004 0.000 1.046 64 I HN 0.130 nan 8.210 nan 0.000 0.405 65 L N -0.010 121.228 121.223 0.025 0.000 2.131 65 L HA -0.193 4.157 4.340 0.017 0.000 0.210 65 L C 2.429 179.323 176.870 0.040 0.000 1.092 65 L CA 1.227 56.085 54.840 0.029 0.000 0.759 65 L CB -0.897 41.189 42.059 0.044 0.000 0.903 65 L HN 0.157 nan 8.230 nan 0.000 0.435 66 L N -1.215 120.045 121.223 0.060 0.000 1.989 66 L HA -0.230 4.120 4.340 0.017 0.000 0.211 66 L C 2.382 179.258 176.870 0.009 0.000 1.071 66 L CA 1.611 56.479 54.840 0.047 0.000 0.749 66 L CB -0.576 41.520 42.059 0.063 0.000 0.890 66 L HN 0.188 nan 8.230 nan 0.000 0.431 67 L N -0.352 120.877 121.223 0.010 0.000 1.971 67 L HA -0.220 4.130 4.340 0.017 0.000 0.215 67 L C 2.568 179.439 176.870 0.002 0.000 1.072 67 L CA 2.215 57.057 54.840 0.004 0.000 0.758 67 L CB -0.983 41.081 42.059 0.008 0.000 0.889 67 L HN 0.320 nan 8.230 nan 0.000 0.433 68 A N -0.597 122.220 122.820 -0.005 0.000 1.971 68 A HA -0.308 4.022 4.320 0.017 0.000 0.222 68 A C 2.378 179.951 177.584 -0.018 0.000 1.182 68 A CA 2.306 54.329 52.037 -0.022 0.000 0.649 68 A CB -1.289 17.690 19.000 -0.034 0.000 0.818 68 A HN 0.644 nan 8.150 nan 0.000 0.458 69 A N -1.567 121.244 122.820 -0.014 0.000 2.066 69 A HA -0.021 4.309 4.320 0.017 0.000 0.218 69 A C 2.219 179.795 177.584 -0.013 0.000 1.157 69 A CA 1.417 53.436 52.037 -0.029 0.000 0.670 69 A CB -0.994 17.981 19.000 -0.042 0.000 0.804 69 A HN 0.646 nan 8.150 nan 0.000 0.453 70 C N 0.067 119.368 119.300 0.002 0.000 2.489 70 C HA -0.058 4.412 4.460 0.017 0.000 0.279 70 C C 2.623 177.662 174.990 0.082 0.000 1.266 70 C CA 0.688 59.731 59.018 0.042 0.000 1.707 70 C CB -1.394 26.356 27.740 0.016 0.000 2.059 70 C HN 0.788 nan 8.230 nan 0.000 0.481 71 I N 0.654 121.260 120.570 0.059 0.000 2.208 71 I HA -0.185 3.995 4.170 0.017 0.000 0.245 71 I C 2.299 178.443 176.117 0.046 0.000 1.097 71 I CA 2.054 63.403 61.300 0.080 0.000 1.363 71 I CB -0.955 37.130 38.000 0.141 0.000 1.051 71 I HN 0.160 nan 8.210 nan 0.000 0.413 72 S N 0.813 116.519 115.700 0.010 0.000 2.402 72 S HA -0.107 4.373 4.470 0.017 0.000 0.229 72 S C 1.705 176.243 174.600 -0.103 0.000 1.021 72 S CA 1.393 59.564 58.200 -0.049 0.000 0.974 72 S CB -0.559 62.603 63.200 -0.063 0.000 0.800 72 S HN 0.615 nan 8.310 nan 0.000 0.484 73 F N 1.814 121.647 119.950 -0.196 0.000 2.259 73 F HA -0.026 4.511 4.527 0.017 0.000 0.298 73 F C 1.876 177.569 175.800 -0.179 0.000 1.088 73 F CA 0.793 58.657 58.000 -0.226 0.000 1.358 73 F CB -0.118 38.798 39.000 -0.139 0.000 1.040 73 F HN -0.026 nan 8.300 nan 0.000 0.505 74 V N 0.112 119.935 119.914 -0.152 0.000 2.535 74 V HA -0.196 3.934 4.120 0.017 0.000 0.246 74 V C 2.356 178.340 176.094 -0.184 0.000 1.045 74 V CA 1.293 63.455 62.300 -0.231 0.000 1.058 74 V CB -0.512 31.256 31.823 -0.091 0.000 0.689 74 V HN 0.290 nan 8.190 nan 0.000 0.461 75 L N 0.324 121.507 121.223 -0.067 0.000 2.141 75 L HA -0.108 4.242 4.340 0.017 0.000 0.209 75 L C 2.714 179.542 176.870 -0.069 0.000 1.094 75 L CA 1.380 56.233 54.840 0.021 0.000 0.763 75 L CB -0.711 41.378 42.059 0.050 0.000 0.908 75 L HN 0.372 nan 8.230 nan 0.000 0.437 76 A N -0.348 122.312 122.820 -0.266 0.000 1.873 76 A HA -0.262 4.068 4.320 0.017 0.000 0.215 76 A C 2.162 179.545 177.584 -0.336 0.000 1.186 76 A CA 1.167 52.935 52.037 -0.448 0.000 0.616 76 A CB -1.026 17.337 19.000 -1.062 0.000 0.823 76 A HN 0.653 nan 8.150 nan 0.000 0.442 77 W N -0.129 120.820 121.300 -0.585 0.000 2.350 77 W HA -0.150 4.520 4.660 0.017 0.000 0.289 77 W C -0.264 176.057 176.519 -0.330 0.000 1.215 77 W CA 1.019 58.080 57.345 -0.474 0.000 1.236 77 W CB -0.262 28.772 29.460 -0.710 0.000 1.130 77 W HN 0.300 nan 8.180 nan 0.000 0.541 78 F N 2.116 122.093 119.950 0.046 0.000 2.833 78 F HA 0.110 4.647 4.527 0.017 0.000 0.327 78 F C 1.190 176.957 175.800 -0.055 0.000 1.184 78 F CA 0.054 58.054 58.000 0.000 0.000 1.328 78 F CB -1.143 37.877 39.000 0.033 0.000 1.440 78 F HN 0.040 nan 8.300 nan 0.000 0.569 79 E N -1.424 118.794 120.200 0.030 0.000 3.811 79 E HA -0.356 4.004 4.350 0.017 0.000 0.301 79 E C 1.315 177.928 176.600 0.021 0.000 0.657 79 E CA 1.886 58.288 56.400 0.003 0.000 1.066 79 E CB -0.431 29.277 29.700 0.012 0.000 1.589 79 E HN 0.715 nan 8.360 nan 0.000 0.431 80 E N -1.289 118.935 120.200 0.040 0.000 3.592 80 E HA 0.375 4.735 4.350 0.017 0.000 0.326 80 E C 1.127 177.739 176.600 0.020 0.000 0.745 80 E CA 0.468 56.891 56.400 0.038 0.000 1.407 80 E CB 0.603 30.335 29.700 0.054 0.000 2.564 80 E HN 0.172 nan 8.360 nan 0.000 0.527 81 G N 0.624 109.444 108.800 0.033 0.000 2.527 81 G HA2 -0.265 3.705 3.960 0.017 0.000 0.262 81 G HA3 -0.265 3.705 3.960 0.017 0.000 0.262 81 G C 0.529 175.476 174.900 0.078 0.000 1.153 81 G CA 0.501 45.623 45.100 0.038 0.000 0.954 81 G HN 0.449 nan 8.290 nan 0.000 0.552 82 E N 0.983 121.233 120.200 0.083 0.000 2.357 82 E HA 0.206 4.566 4.350 0.017 0.000 0.202 82 E C 1.064 177.697 176.600 0.055 0.000 0.855 82 E CA 0.793 57.251 56.400 0.097 0.000 1.048 82 E CB 0.372 30.158 29.700 0.144 0.000 1.037 82 E HN 0.709 nan 8.360 nan 0.000 0.499 83 E N 0.534 120.756 120.200 0.036 0.000 2.232 83 E HA 0.229 4.589 4.350 0.017 0.000 0.264 83 E C 0.776 177.386 176.600 0.016 0.000 0.973 83 E CA -0.061 56.350 56.400 0.017 0.000 0.849 83 E CB 1.562 31.262 29.700 -0.000 0.000 1.198 83 E HN -0.038 nan 8.360 nan 0.000 0.407 84 T N -0.241 114.324 114.554 0.019 0.000 2.698 84 T HA -0.060 4.300 4.350 0.017 0.000 0.260 84 T C 1.697 176.435 174.700 0.063 0.000 1.044 84 T CA 0.622 62.741 62.100 0.032 0.000 1.149 84 T CB 0.033 68.916 68.868 0.024 0.000 0.864 84 T HN 0.286 nan 8.240 nan 0.000 0.419 85 I N 1.688 122.295 120.570 0.062 0.000 2.876 85 I HA -0.015 4.165 4.170 0.017 0.000 0.264 85 I C 2.418 178.586 176.117 0.085 0.000 1.204 85 I CA 0.848 62.216 61.300 0.112 0.000 1.485 85 I CB -1.335 36.710 38.000 0.075 0.000 1.103 85 I HN 0.292 nan 8.210 nan 0.000 0.446 86 T N 1.556 116.111 114.554 0.002 0.000 2.869 86 T HA -0.167 4.193 4.350 0.017 0.000 0.270 86 T C 1.852 176.523 174.700 -0.048 0.000 1.082 86 T CA 1.426 63.485 62.100 -0.067 0.000 1.123 86 T CB -0.105 68.707 68.868 -0.094 0.000 0.856 86 T HN 0.458 nan 8.240 nan 0.000 0.499 87 A N -0.327 122.474 122.820 -0.032 0.000 2.123 87 A HA 0.226 4.556 4.320 0.017 0.000 0.214 87 A C 1.604 179.071 177.584 -0.196 0.000 1.152 87 A CA 0.555 52.520 52.037 -0.120 0.000 0.728 87 A CB -0.461 18.436 19.000 -0.171 0.000 0.814 87 A HN 0.487 nan 8.150 nan 0.000 0.464 88 F N -1.402 118.562 119.950 0.023 0.000 2.754 88 F HA 0.091 4.628 4.527 0.017 0.000 0.297 88 F C 2.036 177.927 175.800 0.152 0.000 1.122 88 F CA 0.333 58.381 58.000 0.081 0.000 1.400 88 F CB 0.276 39.355 39.000 0.131 0.000 1.117 88 F HN 0.027 nan 8.300 nan 0.000 0.587 89 V N -0.238 119.830 119.914 0.256 0.000 2.323 89 V HA -0.230 3.900 4.120 0.017 0.000 0.244 89 V C 2.067 178.263 176.094 0.170 0.000 1.041 89 V CA 1.749 64.201 62.300 0.252 0.000 1.025 89 V CB -0.416 31.447 31.823 0.068 0.000 0.656 89 V HN 0.230 nan 8.190 nan 0.000 0.451 90 E N 0.071 120.299 120.200 0.047 0.000 2.095 90 E HA -0.279 4.081 4.350 0.017 0.000 0.212 90 E C -0.222 176.377 176.600 -0.001 0.000 1.044 90 E CA 2.349 58.760 56.400 0.018 0.000 0.857 90 E CB -1.356 28.319 29.700 -0.041 0.000 0.764 90 E HN 0.530 nan 8.360 nan 0.000 0.462 91 P HA -0.157 nan 4.420 nan 0.000 0.218 91 P C 0.755 177.927 177.300 -0.214 0.000 1.148 91 P CA 1.263 64.223 63.100 -0.233 0.000 0.822 91 P CB -0.040 31.400 31.700 -0.435 0.000 0.784 92 F N -1.938 118.105 119.950 0.156 0.000 2.664 92 F HA -0.001 4.536 4.527 0.017 0.000 0.296 92 F C 2.035 177.937 175.800 0.170 0.000 1.125 92 F CA 0.405 58.499 58.000 0.157 0.000 1.444 92 F CB -1.234 37.868 39.000 0.170 0.000 1.114 92 F HN -0.271 nan 8.300 nan 0.000 0.576 93 V N -0.200 119.900 119.914 0.310 0.000 2.871 93 V HA -0.177 3.953 4.120 0.017 0.000 0.256 93 V C 2.033 178.235 176.094 0.181 0.000 1.082 93 V CA 1.313 63.785 62.300 0.287 0.000 1.105 93 V CB -0.467 31.553 31.823 0.329 0.000 0.713 93 V HN 0.291 nan 8.190 nan 0.000 0.473 94 I N -1.010 119.643 120.570 0.139 0.000 2.628 94 I HA -0.042 4.138 4.170 0.017 0.000 0.255 94 I C 2.095 178.283 176.117 0.118 0.000 1.119 94 I CA 0.699 62.056 61.300 0.094 0.000 1.448 94 I CB -0.130 37.900 38.000 0.050 0.000 1.133 94 I HN 0.212 nan 8.210 nan 0.000 0.438 95 L N 0.137 121.449 121.223 0.148 0.000 2.201 95 L HA -0.137 4.213 4.340 0.017 0.000 0.212 95 L C 2.239 179.230 176.870 0.203 0.000 1.105 95 L CA 1.461 56.414 54.840 0.189 0.000 0.775 95 L CB -0.748 41.445 42.059 0.223 0.000 0.913 95 L HN 0.172 nan 8.230 nan 0.000 0.440 96 L N -0.597 120.748 121.223 0.203 0.000 1.976 96 L HA -0.220 4.130 4.340 0.017 0.000 0.209 96 L C 2.392 179.334 176.870 0.121 0.000 1.071 96 L CA 1.650 56.593 54.840 0.172 0.000 0.746 96 L CB -0.493 41.672 42.059 0.178 0.000 0.890 96 L HN 0.229 nan 8.230 nan 0.000 0.432 97 I N -1.171 119.454 120.570 0.092 0.000 2.248 97 I HA -0.351 3.829 4.170 0.017 0.000 0.248 97 I C 2.213 178.367 176.117 0.061 0.000 1.107 97 I CA 1.440 62.773 61.300 0.056 0.000 1.373 97 I CB -0.003 38.017 38.000 0.032 0.000 1.055 97 I HN 0.277 nan 8.210 nan 0.000 0.418 98 L N 0.404 121.680 121.223 0.088 0.000 2.046 98 L HA -0.245 4.105 4.340 0.017 0.000 0.208 98 L C 2.575 179.484 176.870 0.065 0.000 1.077 98 L CA 1.147 56.031 54.840 0.073 0.000 0.747 98 L CB -0.698 41.480 42.059 0.200 0.000 0.896 98 L HN 0.319 nan 8.230 nan 0.000 0.432 99 I N 0.196 120.856 120.570 0.150 0.000 2.202 99 I HA -0.215 3.965 4.170 0.017 0.000 0.242 99 I C 2.912 179.088 176.117 0.097 0.000 1.091 99 I CA 1.460 62.859 61.300 0.166 0.000 1.368 99 I CB -1.493 36.616 38.000 0.182 0.000 1.058 99 I HN 0.154 nan 8.210 nan 0.000 0.410 100 A N 1.527 124.394 122.820 0.079 0.000 1.859 100 A HA -0.265 4.065 4.320 0.017 0.000 0.217 100 A C 2.142 179.747 177.584 0.034 0.000 1.198 100 A CA 2.306 54.377 52.037 0.057 0.000 0.629 100 A CB -0.902 18.123 19.000 0.043 0.000 0.830 100 A HN 0.415 nan 8.150 nan 0.000 0.446 101 N N 0.139 118.846 118.700 0.012 0.000 2.166 101 N HA -0.100 4.649 4.740 0.017 0.000 0.186 101 N C 1.861 177.351 175.510 -0.034 0.000 1.019 101 N CA 1.574 54.618 53.050 -0.011 0.000 0.856 101 N CB -0.630 37.844 38.487 -0.021 0.000 0.993 101 N HN 0.495 nan 8.380 nan 0.000 0.426 102 A N 1.124 123.902 122.820 -0.070 0.000 1.877 102 A HA -0.095 4.235 4.320 0.017 0.000 0.216 102 A C 2.339 179.945 177.584 0.036 0.000 1.186 102 A CA 1.000 52.984 52.037 -0.087 0.000 0.620 102 A CB -0.714 18.207 19.000 -0.132 0.000 0.822 102 A HN 0.236 nan 8.150 nan 0.000 0.443 103 I N -0.580 120.044 120.570 0.089 0.000 2.163 103 I HA -0.242 3.938 4.170 0.017 0.000 0.243 103 I C 2.384 178.629 176.117 0.215 0.000 1.085 103 I CA 1.305 62.707 61.300 0.170 0.000 1.347 103 I CB -0.391 37.721 38.000 0.186 0.000 1.044 103 I HN 0.165 nan 8.210 nan 0.000 0.408 104 V N 0.988 120.974 119.914 0.121 0.000 2.295 104 V HA -0.231 3.899 4.120 0.017 0.000 0.246 104 V C 2.582 178.752 176.094 0.125 0.000 1.049 104 V CA 2.260 64.613 62.300 0.087 0.000 1.024 104 V CB -1.402 30.418 31.823 -0.006 0.000 0.648 104 V HN 0.586 nan 8.190 nan 0.000 0.447 105 G N -0.180 108.662 108.800 0.070 0.000 2.459 105 G HA2 -0.233 3.737 3.960 0.017 0.000 0.217 105 G HA3 -0.233 3.737 3.960 0.017 0.000 0.217 105 G C 1.692 176.642 174.900 0.083 0.000 1.183 105 G CA 1.307 46.432 45.100 0.042 0.000 0.776 105 G HN 0.371 nan 8.290 nan 0.000 0.552 106 V N -0.280 119.694 119.914 0.100 0.000 2.392 106 V HA -0.173 3.957 4.120 0.017 0.000 0.249 106 V C 2.349 178.527 176.094 0.139 0.000 1.059 106 V CA 1.755 64.115 62.300 0.099 0.000 1.051 106 V CB -0.536 31.349 31.823 0.103 0.000 0.658 106 V HN 0.601 nan 8.190 nan 0.000 0.455 107 W N 0.546 121.856 121.300 0.017 0.000 2.381 107 W HA -0.126 4.543 4.660 0.016 0.000 0.301 107 W C 2.484 179.009 176.519 0.009 0.000 1.205 107 W CA 1.701 59.059 57.345 0.020 0.000 1.285 107 W CB -0.368 29.100 29.460 0.014 0.000 1.133 107 W HN 0.287 nan 8.180 nan 0.000 0.521 108 Q N 0.084 120.073 119.800 0.315 0.000 2.167 108 Q HA -0.186 4.164 4.340 0.017 0.000 0.202 108 Q C 1.923 177.981 176.000 0.096 0.000 0.970 108 Q CA 1.551 57.461 55.803 0.178 0.000 0.855 108 Q CB -0.416 28.376 28.738 0.089 0.000 0.911 108 Q HN 0.454 nan 8.270 nan 0.000 0.438 109 E N 0.357 120.599 120.200 0.070 0.000 2.072 109 E HA -0.161 4.199 4.350 0.017 0.000 0.190 109 E C 1.996 178.599 176.600 0.006 0.000 0.982 109 E CA 0.733 57.145 56.400 0.019 0.000 0.803 109 E CB 0.143 29.845 29.700 0.003 0.000 0.755 109 E HN -0.029 nan 8.360 nan 0.000 0.453 110 R N 0.871 121.375 120.500 0.007 0.000 2.073 110 R HA -0.022 4.328 4.340 0.017 0.000 0.234 110 R C 1.843 178.143 176.300 -0.000 0.000 1.134 110 R CA 1.865 57.945 56.100 -0.034 0.000 0.952 110 R CB -0.572 29.675 30.300 -0.090 0.000 0.850 110 R HN 0.280 nan 8.270 nan 0.000 0.433 111 N N -0.490 118.249 118.700 0.066 0.000 2.166 111 N HA -0.166 4.584 4.740 0.017 0.000 0.186 111 N C 1.497 177.036 175.510 0.048 0.000 1.019 111 N CA 1.108 54.212 53.050 0.091 0.000 0.856 111 N CB -0.073 38.524 38.487 0.183 0.000 0.993 111 N HN 0.297 nan 8.380 nan 0.000 0.426 112 A N 1.685 124.523 122.820 0.031 0.000 1.855 112 A HA -0.155 4.175 4.320 0.017 0.000 0.215 112 A C 1.975 179.556 177.584 -0.005 0.000 1.191 112 A CA 1.258 53.298 52.037 0.006 0.000 0.613 112 A CB -0.546 18.449 19.000 -0.008 0.000 0.829 112 A HN 0.268 nan 8.150 nan 0.000 0.442 113 E N -0.046 120.144 120.200 -0.016 0.000 2.118 113 E HA -0.213 4.147 4.350 0.017 0.000 0.195 113 E C 1.905 178.493 176.600 -0.020 0.000 0.992 113 E CA 1.392 57.775 56.400 -0.027 0.000 0.804 113 E CB -0.315 29.356 29.700 -0.048 0.000 0.741 113 E HN 0.748 nan 8.360 nan 0.000 0.458 114 N N 0.582 119.275 118.700 -0.012 0.000 2.025 114 N HA -0.187 4.563 4.740 0.017 0.000 0.194 114 N C 1.992 177.507 175.510 0.008 0.000 1.044 114 N CA 1.045 54.094 53.050 -0.002 0.000 0.851 114 N CB -0.197 38.295 38.487 0.008 0.000 1.036 114 N HN 0.086 nan 8.380 nan 0.000 0.422 115 A N 1.280 124.108 122.820 0.013 0.000 1.917 115 A HA -0.173 4.157 4.320 0.017 0.000 0.219 115 A C 2.166 179.753 177.584 0.005 0.000 1.182 115 A CA 1.321 53.366 52.037 0.012 0.000 0.633 115 A CB -0.842 18.166 19.000 0.012 0.000 0.819 115 A HN 0.243 nan 8.150 nan 0.000 0.448 116 I N -0.583 119.986 120.570 -0.001 0.000 2.226 116 I HA -0.204 3.976 4.170 0.017 0.000 0.245 116 I C 2.381 178.500 176.117 0.004 0.000 1.100 116 I CA 1.315 62.613 61.300 -0.004 0.000 1.374 116 I CB -0.300 37.693 38.000 -0.012 0.000 1.057 116 I HN 0.280 nan 8.210 nan 0.000 0.413 117 E N 0.801 121.003 120.200 0.003 0.000 2.208 117 E HA -0.112 4.248 4.350 0.017 0.000 0.193 117 E C 2.289 178.903 176.600 0.025 0.000 0.988 117 E CA 1.092 57.496 56.400 0.007 0.000 0.828 117 E CB -0.121 29.576 29.700 -0.005 0.000 0.763 117 E HN 0.488 nan 8.360 nan 0.000 0.478 118 A N 1.444 124.282 122.820 0.030 0.000 1.877 118 A HA -0.136 4.194 4.320 0.017 0.000 0.216 118 A C 2.273 179.906 177.584 0.082 0.000 1.186 118 A CA 0.919 52.989 52.037 0.055 0.000 0.620 118 A CB -0.635 18.392 19.000 0.044 0.000 0.822 118 A HN 0.220 nan 8.150 nan 0.000 0.443 119 L N -0.620 120.632 121.223 0.048 0.000 2.005 119 L HA -0.171 4.179 4.340 0.017 0.000 0.207 119 L C 2.584 179.505 176.870 0.086 0.000 1.072 119 L CA 1.794 56.663 54.840 0.048 0.000 0.744 119 L CB -0.413 41.649 42.059 0.005 0.000 0.895 119 L HN 0.411 nan 8.230 nan 0.000 0.433 120 K N -0.365 120.066 120.400 0.053 0.000 2.032 120 K HA -0.202 4.128 4.320 0.017 0.000 0.209 120 K C 1.754 178.388 176.600 0.056 0.000 1.048 120 K CA 1.252 57.566 56.287 0.045 0.000 0.927 120 K CB -0.148 32.364 32.500 0.021 0.000 0.712 120 K HN 0.268 nan 8.250 nan 0.000 0.441 121 E N 0.143 120.376 120.200 0.055 0.000 2.418 121 E HA -0.135 4.225 4.350 0.017 0.000 0.197 121 E C 1.539 178.163 176.600 0.041 0.000 1.026 121 E CA 0.541 56.962 56.400 0.035 0.000 0.862 121 E CB -0.255 29.458 29.700 0.020 0.000 0.799 121 E HN 0.361 nan 8.360 nan 0.000 0.518 122 Y N 1.958 122.251 120.300 -0.011 0.000 2.060 122 Y HA -0.188 4.371 4.550 0.016 0.000 0.276 122 Y C 0.981 176.873 175.900 -0.013 0.000 1.127 122 Y CA 1.573 59.667 58.100 -0.011 0.000 1.104 122 Y CB 0.026 38.482 38.460 -0.007 0.000 0.983 122 Y HN -0.121 nan 8.280 nan 0.000 0.483 123 E N 2.289 122.537 120.200 0.081 0.000 2.180 123 E HA 0.239 4.599 4.350 0.017 0.000 0.283 123 E C -2.666 173.906 176.600 -0.047 0.000 1.061 123 E CA -2.532 53.861 56.400 -0.010 0.000 0.861 123 E CB 0.494 30.272 29.700 0.131 0.000 1.056 123 E HN 0.134 nan 8.360 nan 0.000 0.407 124 P HA 0.092 nan 4.420 nan 0.000 0.276 124 P C -0.863 176.412 177.300 -0.043 0.000 1.230 124 P CA -0.104 62.952 63.100 -0.074 0.000 0.776 124 P CB 0.664 32.306 31.700 -0.097 0.000 0.888 125 E N 2.399 122.581 120.200 -0.030 0.000 2.360 125 E HA 0.191 4.551 4.350 0.017 0.000 0.269 125 E C -0.115 176.470 176.600 -0.025 0.000 1.022 125 E CA -0.039 56.349 56.400 -0.020 0.000 0.887 125 E CB 0.417 30.110 29.700 -0.012 0.000 0.990 125 E HN 0.327 nan 8.360 nan 0.000 0.426 126 M N 1.423 121.008 119.600 -0.024 0.000 2.598 126 M HA 0.511 5.001 4.480 0.017 0.000 0.317 126 M C 0.192 176.475 176.300 -0.028 0.000 1.179 126 M CA -0.638 54.644 55.300 -0.030 0.000 0.936 126 M CB 1.707 34.286 32.600 -0.035 0.000 1.713 126 M HN 0.585 nan 8.290 nan 0.000 0.460 127 G N 1.389 110.169 108.800 -0.034 0.000 2.658 127 G HA2 0.787 4.757 3.960 0.017 0.000 0.292 127 G HA3 0.787 4.757 3.960 0.017 0.000 0.292 127 G C -1.454 173.414 174.900 -0.052 0.000 1.320 127 G CA -0.798 44.280 45.100 -0.037 0.000 0.933 127 G HN 0.621 nan 8.290 nan 0.000 0.476 128 K N -0.269 120.095 120.400 -0.061 0.000 2.323 128 K HA 0.678 5.008 4.320 0.017 0.000 0.259 128 K C -0.845 175.693 176.600 -0.102 0.000 0.947 128 K CA -0.816 55.415 56.287 -0.092 0.000 0.819 128 K CB 2.344 34.781 32.500 -0.104 0.000 1.109 128 K HN 0.581 nan 8.250 nan 0.000 0.429 129 V N -0.542 119.293 119.914 -0.132 0.000 2.841 129 V HA 0.452 4.582 4.120 0.017 0.000 0.310 129 V C -1.172 174.821 176.094 -0.168 0.000 1.090 129 V CA -1.226 61.012 62.300 -0.103 0.000 0.930 129 V CB 0.951 32.741 31.823 -0.055 0.000 1.014 129 V HN 0.675 nan 8.190 nan 0.000 0.425 130 Y N 2.626 122.907 120.300 -0.031 0.000 2.336 130 Y HA 0.706 5.266 4.550 0.016 0.000 0.335 130 Y C 0.851 176.730 175.900 -0.034 0.000 1.046 130 Y CA 0.093 58.178 58.100 -0.026 0.000 1.198 130 Y CB 1.155 39.602 38.460 -0.021 0.000 1.182 130 Y HN 0.587 nan 8.280 nan 0.000 0.502 131 R N 1.022 121.593 120.500 0.117 0.000 2.808 131 R HA 0.541 4.891 4.340 0.017 0.000 0.272 131 R C 0.375 176.713 176.300 0.063 0.000 0.995 131 R CA -0.583 55.551 56.100 0.057 0.000 0.917 131 R CB 1.696 32.004 30.300 0.012 0.000 1.217 131 R HN 0.734 nan 8.270 nan 0.000 0.471 132 A N 0.976 123.818 122.820 0.037 0.000 2.070 132 A HA -0.182 4.148 4.320 0.017 0.000 0.220 132 A C 1.211 178.816 177.584 0.035 0.000 1.159 132 A CA 1.932 53.990 52.037 0.035 0.000 0.656 132 A CB -0.412 18.601 19.000 0.021 0.000 0.800 132 A HN 0.813 nan 8.150 nan 0.000 0.453 133 D N -1.096 119.323 120.400 0.030 0.000 2.363 133 D HA -0.003 4.647 4.640 0.017 0.000 0.220 133 D C 0.659 176.979 176.300 0.033 0.000 0.994 133 D CA 0.416 54.432 54.000 0.027 0.000 0.890 133 D CB -0.080 40.732 40.800 0.020 0.000 0.906 133 D HN 0.404 nan 8.370 nan 0.000 0.530 134 R N -0.479 120.048 120.500 0.045 0.000 2.548 134 R HA 0.305 4.655 4.340 0.017 0.000 0.280 134 R C 0.475 176.826 176.300 0.086 0.000 1.061 134 R CA -0.633 55.498 56.100 0.051 0.000 0.915 134 R CB 1.888 32.210 30.300 0.035 0.000 1.210 134 R HN -0.217 nan 8.270 nan 0.000 0.442 135 K N 0.386 120.836 120.400 0.085 0.000 2.057 135 K HA 0.044 4.374 4.320 0.017 0.000 0.206 135 K C 0.497 177.212 176.600 0.193 0.000 1.050 135 K CA 1.038 57.395 56.287 0.117 0.000 0.935 135 K CB 0.143 32.690 32.500 0.078 0.000 0.715 135 K HN 0.303 nan 8.250 nan 0.000 0.439 136 S N 0.362 116.134 115.700 0.120 0.000 2.616 136 S HA 0.146 4.626 4.470 0.017 0.000 0.277 136 S C -0.494 174.047 174.600 -0.097 0.000 1.234 136 S CA -0.706 57.541 58.200 0.079 0.000 1.028 136 S CB 1.867 65.091 63.200 0.039 0.000 0.988 136 S HN 0.063 nan 8.310 nan 0.000 0.522 137 V N 3.344 123.022 119.914 -0.394 0.000 2.928 137 V HA 0.129 4.259 4.120 0.017 0.000 0.307 137 V C -0.071 175.856 176.094 -0.278 0.000 1.105 137 V CA 0.789 62.700 62.300 -0.648 0.000 1.223 137 V CB 0.465 31.862 31.823 -0.710 0.000 0.930 137 V HN 0.933 nan 8.190 nan 0.000 0.499 138 Q N 6.123 125.787 119.800 -0.227 0.000 2.484 138 Q HA 0.704 5.054 4.340 0.017 0.000 0.285 138 Q C -1.285 174.647 176.000 -0.113 0.000 1.097 138 Q CA -1.229 54.501 55.803 -0.122 0.000 0.802 138 Q CB 1.948 30.642 28.738 -0.073 0.000 1.444 138 Q HN 0.791 nan 8.270 nan 0.000 0.429 139 R N 1.263 121.712 120.500 -0.085 0.000 2.445 139 R HA 0.754 5.104 4.340 0.017 0.000 0.308 139 R C -0.303 175.960 176.300 -0.061 0.000 0.961 139 R CA -0.685 55.370 56.100 -0.075 0.000 0.862 139 R CB 1.009 31.266 30.300 -0.072 0.000 1.144 139 R HN 0.782 nan 8.270 nan 0.000 0.447 140 I N -2.148 118.391 120.570 -0.052 0.000 3.042 140 I HA 0.507 4.687 4.170 0.017 0.000 0.310 140 I C -0.780 175.318 176.117 -0.033 0.000 1.117 140 I CA -1.759 59.518 61.300 -0.038 0.000 1.003 140 I CB 2.214 40.198 38.000 -0.028 0.000 1.228 140 I HN 0.399 nan 8.210 nan 0.000 0.443 141 K N 2.741 123.124 120.400 -0.028 0.000 2.453 141 K HA 0.183 4.513 4.320 0.017 0.000 0.280 141 K C 1.166 177.761 176.600 -0.009 0.000 1.045 141 K CA 0.575 56.846 56.287 -0.026 0.000 1.059 141 K CB 1.057 33.538 32.500 -0.033 0.000 0.901 141 K HN 0.732 nan 8.250 nan 0.000 0.475 142 A N 4.152 126.965 122.820 -0.012 0.000 1.971 142 A HA -0.301 4.029 4.320 0.017 0.000 0.222 142 A C 2.131 179.727 177.584 0.020 0.000 1.182 142 A CA 2.083 54.119 52.037 -0.002 0.000 0.649 142 A CB -0.497 18.500 19.000 -0.005 0.000 0.818 142 A HN 0.911 nan 8.150 nan 0.000 0.458 143 R N -0.360 120.152 120.500 0.020 0.000 2.153 143 R HA -0.220 4.130 4.340 0.017 0.000 0.252 143 R C 0.812 177.208 176.300 0.159 0.000 1.158 143 R CA 2.089 58.221 56.100 0.052 0.000 0.975 143 R CB -0.371 29.916 30.300 -0.023 0.000 0.871 143 R HN 0.503 nan 8.270 nan 0.000 0.450 144 D N 0.367 120.846 120.400 0.132 0.000 2.355 144 D HA -0.013 4.637 4.640 0.017 0.000 0.218 144 D C 0.890 177.234 176.300 0.073 0.000 1.004 144 D CA 0.412 54.511 54.000 0.165 0.000 0.880 144 D CB -0.170 40.690 40.800 0.100 0.000 0.911 144 D HN 0.449 nan 8.370 nan 0.000 0.528 145 I N 0.457 121.050 120.570 0.039 0.000 2.638 145 I HA 0.198 4.378 4.170 0.017 0.000 0.286 145 I C -0.138 175.974 176.117 -0.009 0.000 1.088 145 I CA -0.569 60.727 61.300 -0.007 0.000 1.397 145 I CB 1.061 39.043 38.000 -0.029 0.000 1.414 145 I HN -0.241 nan 8.210 nan 0.000 0.566 146 V N 2.713 122.601 119.914 -0.045 0.000 3.102 146 V HA 0.699 4.829 4.120 0.017 0.000 0.312 146 V C -2.737 173.265 176.094 -0.153 0.000 1.135 146 V CA -2.584 59.695 62.300 -0.034 0.000 1.022 146 V CB 1.061 32.932 31.823 0.080 0.000 1.056 146 V HN 0.672 nan 8.190 nan 0.000 0.436 147 P HA 0.316 nan 4.420 nan 0.000 0.264 147 P C 0.944 177.837 177.300 -0.677 0.000 1.183 147 P CA 2.060 64.915 63.100 -0.407 0.000 0.763 147 P CB 0.632 32.060 31.700 -0.452 0.000 0.807 148 G N 1.710 109.825 108.800 -1.141 0.000 2.194 148 G HA2 -0.171 3.799 3.960 0.017 0.000 0.236 148 G HA3 -0.171 3.799 3.960 0.017 0.000 0.236 148 G C -0.272 174.306 174.900 -0.537 0.000 0.987 148 G CA 0.051 44.373 45.100 -1.298 0.000 0.635 148 G HN 0.641 nan 8.290 nan 0.000 0.520 149 D N 0.845 121.029 120.400 -0.360 0.000 2.294 149 D HA 0.558 5.208 4.640 0.017 0.000 0.250 149 D C 0.588 176.812 176.300 -0.127 0.000 1.058 149 D CA -1.048 52.835 54.000 -0.195 0.000 0.950 149 D CB 0.793 41.513 40.800 -0.132 0.000 1.158 149 D HN 0.049 nan 8.370 nan 0.000 0.453 150 I N 1.090 121.634 120.570 -0.044 0.000 2.396 150 I HA 0.170 4.350 4.170 0.017 0.000 0.289 150 I C -0.025 176.121 176.117 0.048 0.000 1.056 150 I CA -0.646 60.668 61.300 0.023 0.000 1.365 150 I CB 0.442 38.490 38.000 0.081 0.000 1.407 150 I HN 0.208 nan 8.210 nan 0.000 0.509 151 V N 6.597 126.524 119.914 0.023 0.000 2.555 151 V HA 0.397 4.527 4.120 0.017 0.000 0.302 151 V C 0.122 176.234 176.094 0.030 0.000 1.038 151 V CA -0.802 61.499 62.300 0.003 0.000 0.887 151 V CB 2.418 34.223 31.823 -0.030 0.000 0.991 151 V HN 0.708 nan 8.190 nan 0.000 0.434 152 E N 2.651 122.857 120.200 0.010 0.000 2.195 152 E HA 0.760 5.120 4.350 0.017 0.000 0.271 152 E C -1.548 175.048 176.600 -0.006 0.000 0.923 152 E CA -0.553 55.859 56.400 0.020 0.000 0.790 152 E CB 2.157 31.862 29.700 0.008 0.000 1.155 152 E HN 0.622 nan 8.360 nan 0.000 0.402 153 V N -0.151 119.766 119.914 0.004 0.000 2.851 153 V HA 0.929 5.059 4.120 0.017 0.000 0.307 153 V C -0.998 175.103 176.094 0.011 0.000 1.129 153 V CA -0.750 61.549 62.300 -0.002 0.000 0.932 153 V CB 1.108 32.926 31.823 -0.008 0.000 1.024 153 V HN 0.753 nan 8.190 nan 0.000 0.426 154 A N 2.919 125.747 122.820 0.013 0.000 2.479 154 A HA 0.935 5.265 4.320 0.017 0.000 0.296 154 A C -0.045 177.557 177.584 0.030 0.000 1.121 154 A CA -0.507 51.546 52.037 0.027 0.000 0.743 154 A CB 1.800 20.817 19.000 0.029 0.000 1.323 154 A HN 2.287 nan 8.150 nan 0.000 0.415 155 V N 0.134 120.075 119.914 0.044 0.000 3.050 155 V HA 0.210 4.340 4.120 0.017 0.000 0.283 155 V C 1.576 177.695 176.094 0.042 0.000 1.384 155 V CA 1.327 63.657 62.300 0.050 0.000 1.419 155 V CB -1.382 30.486 31.823 0.074 0.000 0.820 155 V HN 2.724 nan 8.190 nan 0.000 0.463 156 G N 2.730 111.552 108.800 0.036 0.000 2.308 156 G HA2 -0.205 3.765 3.960 0.017 0.000 0.221 156 G HA3 -0.205 3.765 3.960 0.017 0.000 0.221 156 G C -0.085 174.828 174.900 0.022 0.000 1.032 156 G CA 0.116 45.234 45.100 0.031 0.000 0.623 156 G HN 0.829 nan 8.290 nan 0.000 0.506 157 D N 1.589 122.000 120.400 0.017 0.000 2.424 157 D HA 0.339 4.989 4.640 0.017 0.000 0.244 157 D C 0.631 176.937 176.300 0.011 0.000 1.134 157 D CA 0.193 54.199 54.000 0.010 0.000 0.881 157 D CB 1.097 41.899 40.800 0.003 0.000 1.191 157 D HN 0.466 nan 8.370 nan 0.000 0.445 158 K N 1.923 122.329 120.400 0.009 0.000 2.383 158 K HA 0.123 4.453 4.320 0.017 0.000 0.286 158 K C -0.615 175.989 176.600 0.007 0.000 1.051 158 K CA -0.560 55.734 56.287 0.011 0.000 0.974 158 K CB 0.512 33.019 32.500 0.011 0.000 0.968 158 K HN 0.137 nan 8.250 nan 0.000 0.475 159 V N 8.352 128.272 119.914 0.010 0.000 2.509 159 V HA -0.018 4.112 4.120 0.017 0.000 0.297 159 V C -1.250 174.848 176.094 0.007 0.000 1.014 159 V CA -0.733 61.568 62.300 0.002 0.000 1.127 159 V CB 0.790 32.614 31.823 0.001 0.000 0.925 159 V HN 0.859 nan 8.190 nan 0.000 0.480 160 P HA 0.234 nan 4.420 nan 0.000 0.239 160 P C 0.109 177.411 177.300 0.004 0.000 1.188 160 P CA 0.758 63.858 63.100 -0.001 0.000 0.794 160 P CB 0.735 32.428 31.700 -0.011 0.000 0.937 161 A N -0.702 122.118 122.820 -0.001 0.000 2.601 161 A HA 0.470 4.800 4.320 0.017 0.000 0.291 161 A C -1.648 175.934 177.584 -0.002 0.000 1.075 161 A CA -0.571 51.466 52.037 0.001 0.000 0.671 161 A CB 0.259 19.247 19.000 -0.021 0.000 1.277 161 A HN -0.237 nan 8.150 nan 0.000 0.417 162 D N 0.675 121.086 120.400 0.018 0.000 2.371 162 D HA 0.543 5.193 4.640 0.017 0.000 0.256 162 D C -0.554 175.718 176.300 -0.047 0.000 1.193 162 D CA 1.083 55.095 54.000 0.020 0.000 0.881 162 D CB 0.369 41.231 40.800 0.103 0.000 1.143 162 D HN 0.398 nan 8.370 nan 0.000 0.473 163 I N 1.924 122.425 120.570 -0.115 0.000 2.619 163 I HA 0.270 4.450 4.170 0.017 0.000 0.292 163 I C -0.238 175.802 176.117 -0.128 0.000 1.100 163 I CA -1.133 60.103 61.300 -0.107 0.000 1.043 163 I CB 2.176 40.117 38.000 -0.098 0.000 1.239 163 I HN -0.004 nan 8.210 nan 0.000 0.420 164 R N 6.483 126.938 120.500 -0.076 0.000 2.202 164 R HA 0.506 4.856 4.340 0.017 0.000 0.334 164 R C -1.067 175.200 176.300 -0.056 0.000 1.036 164 R CA -0.263 55.801 56.100 -0.060 0.000 0.878 164 R CB 0.203 30.496 30.300 -0.012 0.000 1.067 164 R HN 0.503 nan 8.270 nan 0.000 0.457 165 I N 6.541 127.066 120.570 -0.075 0.000 2.556 165 I HA -0.037 4.143 4.170 0.017 0.000 0.284 165 I C 0.904 177.006 176.117 -0.025 0.000 1.114 165 I CA 0.174 61.439 61.300 -0.058 0.000 1.418 165 I CB 0.727 38.678 38.000 -0.081 0.000 1.394 165 I HN 0.637 nan 8.210 nan 0.000 0.552 166 L N 3.942 125.159 121.223 -0.010 0.000 2.388 166 L HA 0.194 4.544 4.340 0.017 0.000 0.209 166 L C 0.732 177.608 176.870 0.009 0.000 1.061 166 L CA 0.511 55.353 54.840 0.004 0.000 0.834 166 L CB 0.210 42.272 42.059 0.004 0.000 1.029 166 L HN 0.634 nan 8.230 nan 0.000 0.473 167 S N -0.139 115.567 115.700 0.010 0.000 2.626 167 S HA 0.475 4.955 4.470 0.017 0.000 0.275 167 S C -1.017 173.597 174.600 0.024 0.000 1.175 167 S CA -0.591 57.620 58.200 0.018 0.000 0.982 167 S CB 0.957 64.166 63.200 0.015 0.000 1.093 167 S HN 0.074 nan 8.310 nan 0.000 0.472 168 I N 5.601 126.189 120.570 0.030 0.000 2.325 168 I HA 0.355 4.535 4.170 0.017 0.000 0.291 168 I C 1.012 177.160 176.117 0.052 0.000 1.019 168 I CA -0.674 60.648 61.300 0.038 0.000 1.302 168 I CB 1.336 39.359 38.000 0.040 0.000 1.401 168 I HN 0.595 nan 8.210 nan 0.000 0.485 169 K N 3.446 123.882 120.400 0.059 0.000 2.243 169 K HA 0.074 4.404 4.320 0.017 0.000 0.201 169 K C 0.770 177.423 176.600 0.090 0.000 1.051 169 K CA 0.426 56.757 56.287 0.073 0.000 0.970 169 K CB 0.036 32.579 32.500 0.072 0.000 0.755 169 K HN 0.676 nan 8.250 nan 0.000 0.465 170 S N -0.003 115.751 115.700 0.090 0.000 2.730 170 S HA 0.155 4.635 4.470 0.017 0.000 0.284 170 S C 1.315 175.981 174.600 0.110 0.000 1.153 170 S CA -0.333 57.934 58.200 0.111 0.000 0.995 170 S CB 1.166 64.437 63.200 0.119 0.000 1.058 170 S HN 0.238 nan 8.310 nan 0.000 0.552 171 T N -2.386 112.253 114.554 0.141 0.000 3.007 171 T HA 0.089 4.449 4.350 0.017 0.000 0.270 171 T C 0.714 175.489 174.700 0.125 0.000 1.107 171 T CA 1.316 63.500 62.100 0.140 0.000 1.118 171 T CB -0.451 68.573 68.868 0.260 0.000 0.889 171 T HN 0.776 nan 8.240 nan 0.000 0.506 172 T N -0.219 114.408 114.554 0.122 0.000 2.853 172 T HA 0.584 4.944 4.350 0.017 0.000 0.311 172 T C -2.375 172.369 174.700 0.073 0.000 1.307 172 T CA -0.917 61.236 62.100 0.089 0.000 1.019 172 T CB 1.752 70.670 68.868 0.083 0.000 1.264 172 T HN 0.203 nan 8.240 nan 0.000 0.497 173 L N 3.293 124.548 121.223 0.053 0.000 2.376 173 L HA 0.732 5.082 4.340 0.017 0.000 0.275 173 L C -0.709 176.177 176.870 0.027 0.000 0.987 173 L CA -0.283 54.580 54.840 0.037 0.000 0.828 173 L CB 1.413 43.485 42.059 0.021 0.000 1.249 173 L HN 0.643 nan 8.230 nan 0.000 0.409 174 R N 3.858 124.374 120.500 0.028 0.000 2.513 174 R HA 0.798 5.148 4.340 0.017 0.000 0.301 174 R C -1.589 174.723 176.300 0.020 0.000 0.968 174 R CA -0.775 55.339 56.100 0.023 0.000 0.872 174 R CB 2.344 32.660 30.300 0.026 0.000 1.177 174 R HN 0.411 nan 8.270 nan 0.000 0.444 175 V N 2.005 121.929 119.914 0.017 0.000 2.604 175 V HA 0.162 4.292 4.120 0.017 0.000 0.305 175 V C -0.629 175.482 176.094 0.029 0.000 1.043 175 V CA -0.830 61.482 62.300 0.020 0.000 0.888 175 V CB 2.115 33.945 31.823 0.012 0.000 0.995 175 V HN 0.652 nan 8.190 nan 0.000 0.429 176 D N 3.896 124.314 120.400 0.030 0.000 2.428 176 D HA 0.259 4.909 4.640 0.017 0.000 0.221 176 D C 0.433 176.759 176.300 0.043 0.000 1.123 176 D CA -0.304 53.714 54.000 0.031 0.000 0.869 176 D CB 0.971 41.785 40.800 0.024 0.000 1.032 176 D HN 0.685 nan 8.370 nan 0.000 0.506 177 Q N 2.020 121.851 119.800 0.053 0.000 2.211 177 Q HA 0.256 4.606 4.340 0.017 0.000 0.301 177 Q C 0.451 176.472 176.000 0.035 0.000 0.884 177 Q CA -0.585 55.260 55.803 0.071 0.000 1.115 177 Q CB 0.471 29.294 28.738 0.143 0.000 1.217 177 Q HN 0.133 nan 8.270 nan 0.000 0.451 178 S N 1.118 116.830 115.700 0.020 0.000 2.374 178 S HA -0.191 4.289 4.470 0.017 0.000 0.227 178 S C 1.634 176.231 174.600 -0.006 0.000 1.037 178 S CA 1.312 59.514 58.200 0.004 0.000 1.024 178 S CB -0.219 62.983 63.200 0.003 0.000 0.861 178 S HN 0.630 nan 8.310 nan 0.000 0.456 179 I N 0.226 120.795 120.570 -0.001 0.000 2.530 179 I HA -0.183 3.997 4.170 0.017 0.000 0.257 179 I C 1.872 177.972 176.117 -0.028 0.000 1.179 179 I CA 1.041 62.336 61.300 -0.010 0.000 1.440 179 I CB 0.072 38.072 38.000 0.000 0.000 1.087 179 I HN 0.226 nan 8.210 nan 0.000 0.440 180 L N -0.439 120.759 121.223 -0.040 0.000 2.347 180 L HA 0.014 4.364 4.340 0.017 0.000 0.196 180 L C 2.392 179.206 176.870 -0.094 0.000 1.072 180 L CA 1.910 56.695 54.840 -0.092 0.000 0.817 180 L CB -0.335 41.628 42.059 -0.160 0.000 1.029 180 L HN 0.326 nan 8.230 nan 0.000 0.478 181 T N -4.573 109.939 114.554 -0.069 0.000 3.022 181 T HA 0.338 4.698 4.350 0.017 0.000 0.250 181 T C 1.516 176.194 174.700 -0.037 0.000 1.060 181 T CA 0.481 62.544 62.100 -0.062 0.000 1.013 181 T CB 0.370 69.212 68.868 -0.045 0.000 0.982 181 T HN 0.511 nan 8.240 nan 0.000 0.508 182 G N 1.642 110.426 108.800 -0.028 0.000 2.347 182 G HA2 -0.315 3.655 3.960 0.017 0.000 0.247 182 G HA3 -0.315 3.655 3.960 0.017 0.000 0.247 182 G C 0.000 174.893 174.900 -0.012 0.000 1.037 182 G CA 0.177 45.265 45.100 -0.020 0.000 0.622 182 G HN 0.669 nan 8.290 nan 0.000 0.521 183 E N 1.375 121.569 120.200 -0.009 0.000 3.288 183 E HA 0.180 4.540 4.350 0.017 0.000 0.237 183 E C 1.607 178.207 176.600 0.001 0.000 0.958 183 E CA 0.464 56.864 56.400 -0.001 0.000 0.947 183 E CB 0.312 30.016 29.700 0.007 0.000 0.896 183 E HN 0.598 nan 8.360 nan 0.000 0.566 184 S N 2.645 118.344 115.700 -0.001 0.000 2.458 184 S HA 0.010 4.490 4.470 0.017 0.000 0.223 184 S C 0.719 175.319 174.600 0.000 0.000 1.019 184 S CA -0.179 58.020 58.200 -0.002 0.000 0.937 184 S CB 0.596 63.792 63.200 -0.006 0.000 0.788 184 S HN 0.194 nan 8.310 nan 0.000 0.511 185 V N 3.529 123.443 119.914 0.001 0.000 2.644 185 V HA 0.477 4.607 4.120 0.017 0.000 0.295 185 V C 0.682 176.781 176.094 0.008 0.000 1.053 185 V CA -0.418 61.883 62.300 0.002 0.000 0.987 185 V CB 1.405 33.227 31.823 -0.001 0.000 1.006 185 V HN 0.653 nan 8.190 nan 0.000 0.472 186 S N 3.851 119.556 115.700 0.010 0.000 2.576 186 S HA 0.410 4.890 4.470 0.017 0.000 0.272 186 S C -0.326 174.284 174.600 0.017 0.000 1.352 186 S CA -0.241 57.968 58.200 0.015 0.000 1.021 186 S CB 1.146 64.355 63.200 0.016 0.000 0.887 186 S HN 1.417 nan 8.310 nan 0.000 0.542 187 V N 0.175 120.102 119.914 0.021 0.000 2.789 187 V HA 0.627 4.757 4.120 0.017 0.000 0.311 187 V C -0.356 175.751 176.094 0.022 0.000 1.073 187 V CA -1.242 61.072 62.300 0.023 0.000 0.921 187 V CB 1.132 32.972 31.823 0.029 0.000 1.009 187 V HN 0.954 nan 8.190 nan 0.000 0.426 188 I N 4.041 124.627 120.570 0.028 0.000 2.575 188 I HA 0.414 4.594 4.170 0.017 0.000 0.285 188 I C 0.324 176.459 176.117 0.029 0.000 1.085 188 I CA -0.163 61.157 61.300 0.034 0.000 1.403 188 I CB 0.933 38.960 38.000 0.045 0.000 1.409 188 I HN 0.635 nan 8.210 nan 0.000 0.557 189 K N 4.554 124.961 120.400 0.012 0.000 2.295 189 K HA 0.595 4.925 4.320 0.017 0.000 0.239 189 K C -0.810 175.796 176.600 0.010 0.000 0.991 189 K CA -0.798 55.458 56.287 -0.052 0.000 0.845 189 K CB 2.141 34.584 32.500 -0.095 0.000 1.197 189 K HN 0.732 nan 8.250 nan 0.000 0.441 190 H N -3.507 115.560 119.070 -0.006 0.000 2.931 190 H HA 0.429 4.995 4.556 0.016 0.000 0.331 190 H C 0.233 175.558 175.328 -0.004 0.000 1.273 190 H CA -0.765 55.282 56.048 -0.002 0.000 1.171 190 H CB 0.891 30.654 29.762 0.000 0.000 1.898 190 H HN 0.507 nan 8.280 nan 0.000 0.562 191 T N -2.890 111.766 114.554 0.169 0.000 3.085 191 T HA 0.206 4.566 4.350 0.017 0.000 0.264 191 T C -0.019 174.776 174.700 0.158 0.000 1.019 191 T CA -0.495 61.657 62.100 0.086 0.000 0.910 191 T CB -0.090 68.811 68.868 0.054 0.000 1.059 191 T HN 0.436 nan 8.240 nan 0.000 0.542 192 E N 3.411 123.841 120.200 0.382 0.000 2.373 192 E HA 0.346 4.706 4.350 0.017 0.000 0.263 192 E C -2.511 174.231 176.600 0.238 0.000 1.073 192 E CA -2.767 53.781 56.400 0.247 0.000 0.894 192 E CB 0.557 30.322 29.700 0.109 0.000 1.008 192 E HN 0.250 nan 8.360 nan 0.000 0.420 193 P HA 0.033 nan 4.420 nan 0.000 0.271 193 P C -0.310 177.080 177.300 0.151 0.000 1.218 193 P CA -0.209 62.960 63.100 0.114 0.000 0.780 193 P CB 0.492 32.230 31.700 0.063 0.000 0.901 194 V N 0.002 120.017 119.914 0.168 0.000 2.276 194 V HA 0.270 4.400 4.120 0.017 0.000 0.268 194 V C -1.995 174.214 176.094 0.191 0.000 1.032 194 V CA -2.149 60.264 62.300 0.188 0.000 0.810 194 V CB 0.852 32.789 31.823 0.190 0.000 1.060 194 V HN 0.253 nan 8.190 nan 0.000 0.446 195 P HA -0.158 nan 4.420 nan 0.000 0.217 195 P C 0.557 177.910 177.300 0.088 0.000 1.151 195 P CA 1.329 64.474 63.100 0.076 0.000 0.849 195 P CB 0.106 31.837 31.700 0.051 0.000 0.787 196 D N -0.783 119.690 120.400 0.121 0.000 2.363 196 D HA 0.007 4.657 4.640 0.017 0.000 0.263 196 D C -1.391 175.043 176.300 0.223 0.000 1.258 196 D CA -1.377 52.697 54.000 0.124 0.000 0.907 196 D CB 0.664 41.521 40.800 0.095 0.000 1.107 196 D HN 0.097 nan 8.370 nan 0.000 0.495 197 P HA -0.143 nan 4.420 nan 0.000 0.218 197 P C 1.353 178.762 177.300 0.182 0.000 1.149 197 P CA 0.614 63.801 63.100 0.145 0.000 0.817 197 P CB 0.201 31.924 31.700 0.038 0.000 0.785 198 R N 1.078 121.645 120.500 0.112 0.000 2.115 198 R HA 0.003 4.353 4.340 0.017 0.000 0.230 198 R C 0.647 176.979 176.300 0.054 0.000 1.111 198 R CA 0.873 57.015 56.100 0.070 0.000 0.976 198 R CB -1.296 29.031 30.300 0.044 0.000 0.870 198 R HN 0.023 nan 8.270 nan 0.000 0.445 199 A N 2.479 125.333 122.820 0.056 0.000 2.565 199 A HA 0.217 4.547 4.320 0.017 0.000 0.237 199 A C 0.788 178.339 177.584 -0.055 0.000 1.053 199 A CA 0.340 52.373 52.037 -0.007 0.000 0.755 199 A CB 0.053 19.040 19.000 -0.021 0.000 0.980 199 A HN 0.348 nan 8.150 nan 0.000 0.506 200 V N 1.665 121.553 119.914 -0.042 0.000 3.051 200 V HA 0.141 4.271 4.120 0.017 0.000 0.306 200 V C 1.233 177.288 176.094 -0.065 0.000 1.083 200 V CA -0.256 62.011 62.300 -0.054 0.000 1.104 200 V CB 0.193 31.992 31.823 -0.040 0.000 1.027 200 V HN 0.879 nan 8.190 nan 0.000 0.483 201 N N 1.917 120.561 118.700 -0.093 0.000 2.049 201 N HA -0.273 4.477 4.740 0.017 0.000 0.198 201 N C 1.635 177.163 175.510 0.030 0.000 1.030 201 N CA 2.352 55.351 53.050 -0.085 0.000 0.870 201 N CB -0.637 37.643 38.487 -0.346 0.000 1.045 201 N HN 0.894 nan 8.380 nan 0.000 0.434 202 Q N 0.413 120.209 119.800 -0.007 0.000 2.268 202 Q HA -0.150 4.200 4.340 0.017 0.000 0.213 202 Q C 0.879 176.898 176.000 0.032 0.000 0.995 202 Q CA 1.528 57.344 55.803 0.022 0.000 0.901 202 Q CB -0.119 28.619 28.738 0.001 0.000 0.921 202 Q HN 0.428 nan 8.270 nan 0.000 0.421 203 D N -0.704 119.704 120.400 0.013 0.000 2.360 203 D HA -0.007 4.643 4.640 0.017 0.000 0.210 203 D C -0.125 176.171 176.300 -0.007 0.000 1.047 203 D CA 0.234 54.241 54.000 0.011 0.000 0.854 203 D CB 0.259 41.060 40.800 0.001 0.000 0.936 203 D HN 0.128 nan 8.370 nan 0.000 0.514 204 K N 1.647 122.038 120.400 -0.015 0.000 2.449 204 K HA 0.092 4.422 4.320 0.017 0.000 0.237 204 K C 0.648 177.201 176.600 -0.079 0.000 1.265 204 K CA 0.069 56.322 56.287 -0.056 0.000 1.193 204 K CB 0.077 32.599 32.500 0.037 0.000 1.515 204 K HN 0.075 nan 8.250 nan 0.000 0.259 205 K N 1.254 121.586 120.400 -0.114 0.000 2.522 205 K HA -0.030 4.300 4.320 0.017 0.000 0.194 205 K C 0.734 177.038 176.600 -0.494 0.000 1.026 205 K CA 0.254 56.411 56.287 -0.217 0.000 1.119 205 K CB 0.102 32.554 32.500 -0.079 0.000 0.856 205 K HN 0.343 nan 8.250 nan 0.000 0.513 206 N N -0.330 118.135 118.700 -0.391 0.000 2.194 206 N HA 0.059 4.809 4.740 0.017 0.000 0.231 206 N C -0.141 175.236 175.510 -0.221 0.000 1.247 206 N CA -0.135 52.713 53.050 -0.336 0.000 0.884 206 N CB 0.466 38.798 38.487 -0.259 0.000 1.146 206 N HN -0.106 nan 8.380 nan 0.000 0.516 207 M N 0.693 120.123 119.600 -0.284 0.000 2.724 207 M HA 0.522 5.012 4.480 0.017 0.000 0.310 207 M C -1.009 174.941 176.300 -0.584 0.000 1.217 207 M CA -0.604 54.457 55.300 -0.399 0.000 0.894 207 M CB 2.179 34.495 32.600 -0.474 0.000 1.719 207 M HN -0.077 nan 8.290 nan 0.000 0.479 208 L N 1.880 122.733 121.223 -0.616 0.000 2.441 208 L HA 0.485 4.835 4.340 0.017 0.000 0.270 208 L C -1.375 175.193 176.870 -0.504 0.000 0.973 208 L CA -0.406 54.125 54.840 -0.516 0.000 0.842 208 L CB 1.497 43.417 42.059 -0.232 0.000 1.239 208 L HN 0.448 nan 8.230 nan 0.000 0.406 209 F N 0.874 120.812 119.950 -0.021 0.000 2.420 209 F HA 0.246 4.783 4.527 0.016 0.000 0.352 209 F C 1.338 177.130 175.800 -0.014 0.000 1.108 209 F CA -0.314 57.676 58.000 -0.017 0.000 1.162 209 F CB 1.326 40.315 39.000 -0.019 0.000 1.118 209 F HN 0.388 nan 8.300 nan 0.000 0.510 210 S N 2.253 118.046 115.700 0.155 0.000 2.810 210 S HA 0.250 4.730 4.470 0.017 0.000 0.329 210 S C 1.160 175.817 174.600 0.095 0.000 1.231 210 S CA 1.245 59.500 58.200 0.091 0.000 1.042 210 S CB -0.391 62.853 63.200 0.074 0.000 0.756 210 S HN 1.212 nan 8.310 nan 0.000 0.504 211 G N 2.874 111.711 108.800 0.062 0.000 2.234 211 G HA2 -0.272 3.698 3.960 0.017 0.000 0.235 211 G HA3 -0.272 3.698 3.960 0.017 0.000 0.235 211 G C 0.316 175.247 174.900 0.052 0.000 0.997 211 G CA 0.499 45.628 45.100 0.048 0.000 0.623 211 G HN 1.295 nan 8.290 nan 0.000 0.514 212 T N -0.776 113.826 114.554 0.079 0.000 2.754 212 T HA 0.586 4.946 4.350 0.017 0.000 0.286 212 T C -0.085 174.642 174.700 0.044 0.000 0.997 212 T CA 0.132 62.276 62.100 0.073 0.000 0.982 212 T CB 1.591 70.531 68.868 0.120 0.000 1.027 212 T HN 0.219 nan 8.240 nan 0.000 0.529 213 N N -0.233 118.489 118.700 0.037 0.000 2.295 213 N HA 0.457 5.207 4.740 0.017 0.000 0.293 213 N C -1.173 174.351 175.510 0.023 0.000 1.040 213 N CA -0.669 52.396 53.050 0.026 0.000 0.840 213 N CB 1.467 39.968 38.487 0.024 0.000 1.468 213 N HN 0.627 nan 8.380 nan 0.000 0.478 214 I N 1.800 122.382 120.570 0.019 0.000 2.436 214 I HA 0.142 4.322 4.170 0.017 0.000 0.289 214 I C 1.325 177.459 176.117 0.028 0.000 1.083 214 I CA 0.063 61.376 61.300 0.020 0.000 1.372 214 I CB 1.018 39.028 38.000 0.017 0.000 1.408 214 I HN 0.683 nan 8.210 nan 0.000 0.516 215 A N 5.582 128.419 122.820 0.029 0.000 2.044 215 A HA 0.657 4.987 4.320 0.017 0.000 0.213 215 A C 0.898 178.507 177.584 0.041 0.000 1.169 215 A CA 0.827 52.883 52.037 0.032 0.000 0.724 215 A CB 0.167 19.183 19.000 0.026 0.000 0.840 215 A HN 0.724 nan 8.150 nan 0.000 0.463 216 A N -1.947 120.899 122.820 0.043 0.000 2.513 216 A HA 0.638 4.968 4.320 0.017 0.000 0.296 216 A C 0.179 177.799 177.584 0.061 0.000 1.052 216 A CA 0.197 52.268 52.037 0.057 0.000 0.714 216 A CB 0.155 19.186 19.000 0.052 0.000 1.279 216 A HN 2.115 nan 8.150 nan 0.000 0.397 217 G N 0.720 109.566 108.800 0.077 0.000 2.483 217 G HA2 0.314 4.284 3.960 0.017 0.000 0.521 217 G HA3 0.314 4.284 3.960 0.017 0.000 0.521 217 G C -0.838 174.102 174.900 0.067 0.000 1.278 217 G CA -0.196 44.951 45.100 0.079 0.000 0.965 217 G HN 1.064 nan 8.290 nan 0.000 0.504 218 K N -0.460 119.978 120.400 0.063 0.000 2.525 218 K HA 0.738 5.068 4.320 0.017 0.000 0.254 218 K C -0.565 176.062 176.600 0.046 0.000 0.934 218 K CA -0.074 56.245 56.287 0.053 0.000 0.802 218 K CB 1.881 34.418 32.500 0.063 0.000 1.295 218 K HN 1.851 nan 8.250 nan 0.000 0.433 219 A N 3.009 125.850 122.820 0.036 0.000 2.594 219 A HA 0.723 5.053 4.320 0.017 0.000 0.291 219 A C -2.089 175.516 177.584 0.034 0.000 1.105 219 A CA -0.717 51.338 52.037 0.029 0.000 0.694 219 A CB 1.527 20.532 19.000 0.008 0.000 1.291 219 A HN 0.562 nan 8.150 nan 0.000 0.410 220 L N 0.645 121.888 121.223 0.033 0.000 2.341 220 L HA 0.806 5.156 4.340 0.017 0.000 0.278 220 L C 0.341 177.220 176.870 0.015 0.000 1.005 220 L CA 0.362 55.228 54.840 0.044 0.000 0.818 220 L CB 2.005 44.095 42.059 0.051 0.000 1.259 220 L HN 1.097 nan 8.230 nan 0.000 0.418 221 G N 3.899 112.704 108.800 0.008 0.000 2.725 221 G HA2 0.598 4.568 3.960 0.017 0.000 0.288 221 G HA3 0.598 4.568 3.960 0.017 0.000 0.288 221 G C -1.994 172.892 174.900 -0.023 0.000 1.399 221 G CA -0.564 44.526 45.100 -0.016 0.000 0.859 221 G HN 0.652 nan 8.290 nan 0.000 0.479 222 I N 0.427 120.975 120.570 -0.037 0.000 2.465 222 I HA 0.532 4.712 4.170 0.017 0.000 0.291 222 I C -0.571 175.486 176.117 -0.100 0.000 1.014 222 I CA -0.983 60.275 61.300 -0.069 0.000 1.093 222 I CB 2.013 39.994 38.000 -0.031 0.000 1.267 222 I HN 0.250 nan 8.210 nan 0.000 0.431 223 V N 8.381 128.189 119.914 -0.175 0.000 2.470 223 V HA 0.197 4.327 4.120 0.017 0.000 0.276 223 V C 1.093 177.086 176.094 -0.169 0.000 1.040 223 V CA 0.623 62.825 62.300 -0.164 0.000 1.008 223 V CB 0.571 32.281 31.823 -0.187 0.000 0.990 223 V HN 0.979 nan 8.190 nan 0.000 0.477 224 A N 4.753 127.541 122.820 -0.053 0.000 1.871 224 A HA 0.218 4.548 4.320 0.017 0.000 0.211 224 A C 1.117 178.704 177.584 0.006 0.000 1.207 224 A CA 1.237 53.296 52.037 0.036 0.000 0.620 224 A CB 0.007 19.026 19.000 0.032 0.000 0.860 224 A HN 0.812 nan 8.150 nan 0.000 0.450 225 T N -2.900 111.642 114.554 -0.020 0.000 2.901 225 T HA 0.619 4.979 4.350 0.017 0.000 0.293 225 T C -0.387 174.295 174.700 -0.030 0.000 1.084 225 T CA 0.025 62.109 62.100 -0.026 0.000 1.008 225 T CB 1.667 70.551 68.868 0.026 0.000 1.170 225 T HN 0.714 nan 8.240 nan 0.000 0.509 226 T N -2.592 111.949 114.554 -0.023 0.000 2.696 226 T HA 0.766 5.126 4.350 0.017 0.000 0.291 226 T C 1.039 175.759 174.700 0.034 0.000 1.095 226 T CA -0.004 62.097 62.100 0.003 0.000 1.026 226 T CB 1.010 69.874 68.868 -0.008 0.000 1.390 226 T HN 1.870 nan 8.240 nan 0.000 0.513 227 G N 0.342 109.169 108.800 0.045 0.000 2.684 227 G HA2 -0.319 3.651 3.960 0.017 0.000 0.342 227 G HA3 -0.319 3.651 3.960 0.017 0.000 0.342 227 G C 1.110 176.038 174.900 0.047 0.000 1.316 227 G CA 1.325 46.458 45.100 0.053 0.000 0.994 227 G HN 1.543 nan 8.290 nan 0.000 0.541 228 V N 0.865 120.810 119.914 0.051 0.000 2.626 228 V HA -0.116 4.014 4.120 0.017 0.000 0.252 228 V C 2.960 179.079 176.094 0.042 0.000 1.067 228 V CA 2.757 65.082 62.300 0.042 0.000 1.081 228 V CB -0.320 31.528 31.823 0.042 0.000 0.686 228 V HN 0.653 nan 8.190 nan 0.000 0.468 229 S N -0.862 114.869 115.700 0.051 0.000 2.447 229 S HA -0.083 4.397 4.470 0.017 0.000 0.233 229 S C 1.104 175.734 174.600 0.049 0.000 1.006 229 S CA 0.496 58.727 58.200 0.051 0.000 0.957 229 S CB -0.395 62.841 63.200 0.060 0.000 0.773 229 S HN 0.641 nan 8.310 nan 0.000 0.507 230 T N 2.985 117.568 114.554 0.049 0.000 2.866 230 T HA -0.016 4.344 4.350 0.017 0.000 0.293 230 T C 1.211 175.938 174.700 0.044 0.000 1.005 230 T CA 0.086 62.221 62.100 0.060 0.000 1.162 230 T CB 0.543 69.443 68.868 0.054 0.000 0.968 230 T HN 0.252 nan 8.240 nan 0.000 0.530 231 E N 2.641 122.875 120.200 0.057 0.000 2.136 231 E HA -0.209 4.151 4.350 0.017 0.000 0.208 231 E C 1.692 178.251 176.600 -0.068 0.000 1.035 231 E CA 1.573 57.955 56.400 -0.030 0.000 0.838 231 E CB -0.248 29.374 29.700 -0.130 0.000 0.748 231 E HN 0.790 nan 8.360 nan 0.000 0.459 232 I N -1.007 119.539 120.570 -0.040 0.000 2.439 232 I HA -0.083 4.097 4.170 0.017 0.000 0.251 232 I C 1.999 178.107 176.117 -0.015 0.000 1.139 232 I CA 1.197 62.476 61.300 -0.036 0.000 1.438 232 I CB -0.294 37.699 38.000 -0.012 0.000 1.085 232 I HN 0.260 nan 8.210 nan 0.000 0.427 233 G N 0.705 109.507 108.800 0.004 0.000 2.432 233 G HA2 -0.243 3.727 3.960 0.017 0.000 0.219 233 G HA3 -0.243 3.727 3.960 0.017 0.000 0.219 233 G C 1.652 176.554 174.900 0.004 0.000 1.135 233 G CA 0.558 45.664 45.100 0.010 0.000 0.767 233 G HN 0.360 nan 8.290 nan 0.000 0.550 234 K N -0.257 120.142 120.400 -0.002 0.000 2.148 234 K HA 0.117 4.447 4.320 0.017 0.000 0.204 234 K C 1.788 178.382 176.600 -0.011 0.000 1.050 234 K CA 0.718 57.003 56.287 -0.003 0.000 0.942 234 K CB -0.013 32.483 32.500 -0.008 0.000 0.724 234 K HN 0.369 nan 8.250 nan 0.000 0.446 235 I N 0.080 120.638 120.570 -0.021 0.000 4.018 235 I HA 0.045 4.225 4.170 0.017 0.000 0.337 235 I C 1.712 177.816 176.117 -0.021 0.000 1.327 235 I CA -0.119 61.166 61.300 -0.026 0.000 1.100 235 I CB 0.133 38.108 38.000 -0.042 0.000 1.025 235 I HN 0.025 nan 8.210 nan 0.000 0.396 236 R N 1.269 121.760 120.500 -0.015 0.000 2.070 236 R HA -0.159 4.191 4.340 0.017 0.000 0.232 236 R C 1.590 177.881 176.300 -0.014 0.000 1.138 236 R CA 1.845 57.937 56.100 -0.014 0.000 0.936 236 R CB -0.343 29.952 30.300 -0.009 0.000 0.839 236 R HN 0.278 nan 8.270 nan 0.000 0.429 237 D N 1.051 121.445 120.400 -0.011 0.000 2.220 237 D HA -0.160 4.490 4.640 0.017 0.000 0.198 237 D C 0.275 176.567 176.300 -0.013 0.000 1.001 237 D CA 1.340 55.333 54.000 -0.011 0.000 0.875 237 D CB -0.139 40.657 40.800 -0.007 0.000 0.921 237 D HN 0.352 nan 8.370 nan 0.000 0.454 238 Q N -0.309 119.483 119.800 -0.014 0.000 2.274 238 Q HA 0.478 4.828 4.340 0.017 0.000 0.256 238 Q C -0.192 175.798 176.000 -0.018 0.000 0.927 238 Q CA 0.027 55.820 55.803 -0.015 0.000 0.939 238 Q CB 1.531 30.259 28.738 -0.016 0.000 1.201 238 Q HN -0.062 nan 8.270 nan 0.000 0.426 239 M N 1.064 120.654 119.600 -0.017 0.000 2.689 239 M HA 0.177 4.667 4.480 0.017 0.000 0.274 239 M C -1.684 174.607 176.300 -0.015 0.000 0.962 239 M CA -0.709 54.580 55.300 -0.017 0.000 0.838 239 M CB 1.316 33.905 32.600 -0.019 0.000 1.784 239 M HN 0.670 nan 8.290 nan 0.000 0.568 240 A N 2.833 125.645 122.820 -0.014 0.000 2.535 240 A HA 0.540 4.870 4.320 0.017 0.000 0.290 240 A C 1.026 178.602 177.584 -0.013 0.000 1.270 240 A CA 0.603 52.633 52.037 -0.012 0.000 0.937 240 A CB -0.905 18.088 19.000 -0.011 0.000 1.096 240 A HN 1.915 nan 8.150 nan 0.000 0.534 241 A N 3.508 126.320 122.820 -0.014 0.000 1.669 241 A HA -0.080 4.250 4.320 0.017 0.000 0.233 241 A C 1.311 178.887 177.584 -0.014 0.000 1.177 241 A CA 1.095 53.123 52.037 -0.015 0.000 0.765 241 A CB -1.720 17.272 19.000 -0.013 0.000 1.163 241 A HN 1.998 nan 8.150 nan 0.000 0.276 242 T N -0.554 113.991 114.554 -0.016 0.000 3.650 242 T HA 0.231 4.591 4.350 0.017 0.000 0.254 242 T C 0.349 175.040 174.700 -0.015 0.000 1.130 242 T CA 1.109 63.200 62.100 -0.015 0.000 0.984 242 T CB -0.383 68.475 68.868 -0.017 0.000 1.039 242 T HN 0.767 nan 8.240 nan 0.000 0.586 243 E N 0.659 120.849 120.200 -0.015 0.000 2.405 243 E HA 0.615 4.975 4.350 0.017 0.000 0.249 243 E C -0.332 176.260 176.600 -0.013 0.000 1.028 243 E CA -1.009 55.381 56.400 -0.016 0.000 0.897 243 E CB 0.923 30.613 29.700 -0.018 0.000 1.262 243 E HN 0.542 nan 8.360 nan 0.000 0.442 244 Q N -0.527 119.265 119.800 -0.013 0.000 2.534 244 Q HA 0.342 4.692 4.340 0.017 0.000 0.290 244 Q C -1.804 174.190 176.000 -0.010 0.000 0.991 244 Q CA -1.104 54.692 55.803 -0.012 0.000 0.783 244 Q CB 0.687 29.417 28.738 -0.013 0.000 1.470 244 Q HN 0.412 nan 8.270 nan 0.000 0.406 245 D N -0.325 120.070 120.400 -0.008 0.000 2.358 245 D HA 0.249 4.899 4.640 0.017 0.000 0.244 245 D C -0.363 175.932 176.300 -0.008 0.000 1.163 245 D CA -0.794 53.203 54.000 -0.006 0.000 0.945 245 D CB 0.743 41.541 40.800 -0.004 0.000 1.152 245 D HN 0.593 nan 8.370 nan 0.000 0.451 246 K N -0.635 119.761 120.400 -0.006 0.000 2.140 246 K HA 0.278 4.608 4.320 0.017 0.000 0.237 246 K C 0.118 176.714 176.600 -0.005 0.000 1.045 246 K CA -0.820 55.462 56.287 -0.008 0.000 0.896 246 K CB -0.005 32.491 32.500 -0.007 0.000 1.122 246 K HN 0.617 nan 8.250 nan 0.000 0.503 247 T N -2.241 112.309 114.554 -0.007 0.000 2.910 247 T HA 0.158 4.518 4.350 0.017 0.000 0.293 247 T C -1.899 172.804 174.700 0.005 0.000 1.015 247 T CA -1.807 60.290 62.100 -0.004 0.000 1.094 247 T CB 1.110 69.972 68.868 -0.008 0.000 0.968 247 T HN 0.319 nan 8.240 nan 0.000 0.521 248 P HA -0.193 nan 4.420 nan 0.000 0.218 248 P C 1.693 179.010 177.300 0.028 0.000 1.165 248 P CA 1.020 64.129 63.100 0.015 0.000 0.922 248 P CB -0.058 31.649 31.700 0.011 0.000 0.794 249 L N -1.103 120.140 121.223 0.033 0.000 2.141 249 L HA -0.188 4.162 4.340 0.017 0.000 0.209 249 L C 2.543 179.436 176.870 0.038 0.000 1.094 249 L CA 1.595 56.467 54.840 0.054 0.000 0.763 249 L CB -0.646 41.458 42.059 0.074 0.000 0.908 249 L HN -0.059 nan 8.230 nan 0.000 0.437 250 Q N -0.709 119.103 119.800 0.019 0.000 2.079 250 Q HA -0.256 4.094 4.340 0.017 0.000 0.200 250 Q C 2.194 178.210 176.000 0.026 0.000 0.974 250 Q CA 1.912 57.721 55.803 0.010 0.000 0.840 250 Q CB -0.001 28.735 28.738 -0.004 0.000 0.898 250 Q HN 0.649 nan 8.270 nan 0.000 0.430 251 Q N -0.124 119.692 119.800 0.028 0.000 2.172 251 Q HA -0.158 4.192 4.340 0.017 0.000 0.200 251 Q C 1.843 177.875 176.000 0.053 0.000 0.964 251 Q CA 1.184 57.007 55.803 0.034 0.000 0.855 251 Q CB 0.045 28.798 28.738 0.025 0.000 0.918 251 Q HN 0.143 nan 8.270 nan 0.000 0.444 252 K N 0.569 121.005 120.400 0.061 0.000 1.985 252 K HA -0.173 4.157 4.320 0.017 0.000 0.210 252 K C 1.656 178.330 176.600 0.124 0.000 1.047 252 K CA 1.071 57.408 56.287 0.084 0.000 0.932 252 K CB -0.019 32.529 32.500 0.079 0.000 0.716 252 K HN 0.033 nan 8.250 nan 0.000 0.439 253 L N 1.623 122.913 121.223 0.112 0.000 2.141 253 L HA -0.120 4.230 4.340 0.017 0.000 0.209 253 L C 1.956 178.940 176.870 0.190 0.000 1.094 253 L CA 1.732 56.676 54.840 0.173 0.000 0.763 253 L CB -0.979 41.141 42.059 0.100 0.000 0.908 253 L HN 0.360 nan 8.230 nan 0.000 0.437 254 D N -0.328 120.136 120.400 0.107 0.000 2.097 254 D HA -0.234 4.416 4.640 0.017 0.000 0.195 254 D C 2.192 178.534 176.300 0.071 0.000 0.989 254 D CA 1.239 55.282 54.000 0.071 0.000 0.827 254 D CB 0.130 40.956 40.800 0.042 0.000 0.966 254 D HN 0.400 nan 8.370 nan 0.000 0.456 255 E N -1.354 118.899 120.200 0.088 0.000 2.110 255 E HA -0.198 4.162 4.350 0.017 0.000 0.193 255 E C 1.959 178.626 176.600 0.111 0.000 0.988 255 E CA 0.653 57.102 56.400 0.082 0.000 0.804 255 E CB -0.314 29.437 29.700 0.086 0.000 0.745 255 E HN 0.361 nan 8.360 nan 0.000 0.458 256 F N 0.460 120.427 119.950 0.029 0.000 2.234 256 F HA 0.023 4.559 4.527 0.017 0.000 0.299 256 F C 1.882 177.704 175.800 0.036 0.000 1.087 256 F CA 1.772 59.794 58.000 0.038 0.000 1.340 256 F CB -0.482 38.548 39.000 0.051 0.000 1.031 256 F HN 0.021 nan 8.300 nan 0.000 0.500 257 G N -0.716 108.007 108.800 -0.129 0.000 2.464 257 G HA2 -0.207 3.763 3.960 0.017 0.000 0.217 257 G HA3 -0.207 3.763 3.960 0.017 0.000 0.217 257 G C 1.415 176.215 174.900 -0.167 0.000 1.138 257 G CA 0.722 45.694 45.100 -0.212 0.000 0.793 257 G HN 0.393 nan 8.290 nan 0.000 0.539 258 E N 1.351 121.496 120.200 -0.092 0.000 2.058 258 E HA -0.210 4.150 4.350 0.017 0.000 0.194 258 E C 2.550 179.095 176.600 -0.092 0.000 0.997 258 E CA 1.813 58.174 56.400 -0.065 0.000 0.801 258 E CB -0.342 29.343 29.700 -0.024 0.000 0.746 258 E HN 0.681 nan 8.360 nan 0.000 0.450 259 Q N -0.690 119.039 119.800 -0.117 0.000 2.403 259 Q HA 0.009 4.359 4.340 0.017 0.000 0.203 259 Q C 1.592 177.487 176.000 -0.175 0.000 0.932 259 Q CA 0.256 55.994 55.803 -0.107 0.000 0.945 259 Q CB 0.075 28.781 28.738 -0.052 0.000 1.045 259 Q HN 0.255 nan 8.270 nan 0.000 0.511 260 L N 0.903 121.944 121.223 -0.304 0.000 2.341 260 L HA 0.027 4.377 4.340 0.017 0.000 0.214 260 L C 2.430 179.198 176.870 -0.170 0.000 1.115 260 L CA 1.401 56.061 54.840 -0.301 0.000 0.820 260 L CB -0.206 41.552 42.059 -0.500 0.000 0.944 260 L HN 0.352 nan 8.230 nan 0.000 0.452 261 S N -0.847 114.769 115.700 -0.139 0.000 2.383 261 S HA -0.205 4.275 4.470 0.017 0.000 0.227 261 S C 2.079 176.641 174.600 -0.063 0.000 1.026 261 S CA 1.186 59.334 58.200 -0.086 0.000 0.981 261 S CB -0.049 63.112 63.200 -0.066 0.000 0.818 261 S HN 0.410 nan 8.310 nan 0.000 0.472 262 K N 0.370 120.734 120.400 -0.061 0.000 1.987 262 K HA -0.092 4.238 4.320 0.017 0.000 0.216 262 K C 2.107 178.688 176.600 -0.032 0.000 1.051 262 K CA 1.906 58.170 56.287 -0.039 0.000 0.942 262 K CB -0.787 31.693 32.500 -0.033 0.000 0.722 262 K HN 0.266 nan 8.250 nan 0.000 0.444 263 V N 1.758 121.648 119.914 -0.040 0.000 2.332 263 V HA -0.261 3.869 4.120 0.017 0.000 0.248 263 V C 2.228 178.302 176.094 -0.033 0.000 1.055 263 V CA 1.732 64.016 62.300 -0.027 0.000 1.038 263 V CB -0.435 31.375 31.823 -0.022 0.000 0.651 263 V HN 0.308 nan 8.190 nan 0.000 0.450 264 I N -0.445 120.095 120.570 -0.050 0.000 2.252 264 I HA -0.197 3.983 4.170 0.017 0.000 0.245 264 I C 2.609 178.708 176.117 -0.030 0.000 1.102 264 I CA 1.349 62.617 61.300 -0.052 0.000 1.385 264 I CB -0.404 37.556 38.000 -0.066 0.000 1.064 264 I HN 0.244 nan 8.210 nan 0.000 0.414 265 S N 1.044 116.728 115.700 -0.026 0.000 2.372 265 S HA -0.197 4.283 4.470 0.017 0.000 0.227 265 S C 1.963 176.571 174.600 0.013 0.000 1.044 265 S CA 1.498 59.691 58.200 -0.011 0.000 1.050 265 S CB -0.409 62.783 63.200 -0.014 0.000 0.901 265 S HN 0.328 nan 8.310 nan 0.000 0.447 266 L N 0.721 121.954 121.223 0.016 0.000 2.005 266 L HA -0.065 4.285 4.340 0.017 0.000 0.207 266 L C 2.251 179.165 176.870 0.074 0.000 1.072 266 L CA 1.233 56.099 54.840 0.042 0.000 0.744 266 L CB -0.621 41.459 42.059 0.035 0.000 0.895 266 L HN 0.290 nan 8.230 nan 0.000 0.433 267 I N -0.806 119.788 120.570 0.039 0.000 2.454 267 I HA -0.318 3.862 4.170 0.017 0.000 0.254 267 I C 2.632 178.833 176.117 0.140 0.000 1.156 267 I CA 0.826 62.153 61.300 0.044 0.000 1.433 267 I CB -0.326 37.602 38.000 -0.120 0.000 1.082 267 I HN 0.425 nan 8.210 nan 0.000 0.432 268 C N 0.001 119.354 119.300 0.089 0.000 2.462 268 C HA -0.108 4.362 4.460 0.017 0.000 0.278 268 C C 2.877 177.967 174.990 0.167 0.000 1.253 268 C CA 0.571 59.652 59.018 0.106 0.000 1.713 268 C CB -0.556 27.201 27.740 0.028 0.000 2.049 268 C HN 0.329 nan 8.230 nan 0.000 0.477 269 V N 1.539 121.533 119.914 0.133 0.000 2.392 269 V HA -0.239 3.891 4.120 0.017 0.000 0.249 269 V C 2.677 178.932 176.094 0.268 0.000 1.059 269 V CA 2.205 64.603 62.300 0.162 0.000 1.051 269 V CB -1.330 30.543 31.823 0.084 0.000 0.658 269 V HN 0.619 nan 8.190 nan 0.000 0.455 270 A N -0.106 122.863 122.820 0.248 0.000 1.908 270 A HA -0.190 4.140 4.320 0.017 0.000 0.218 270 A C 2.417 180.166 177.584 0.275 0.000 1.181 270 A CA 2.257 54.464 52.037 0.284 0.000 0.627 270 A CB -0.760 18.458 19.000 0.362 0.000 0.818 270 A HN 0.346 nan 8.150 nan 0.000 0.445 271 V N -2.192 117.934 119.914 0.353 0.000 2.255 271 V HA -0.296 3.834 4.120 0.017 0.000 0.247 271 V C 2.199 178.419 176.094 0.210 0.000 1.051 271 V CA 2.077 64.522 62.300 0.240 0.000 1.018 271 V CB -1.038 30.976 31.823 0.319 0.000 0.641 271 V HN 0.866 nan 8.190 nan 0.000 0.445 272 W N 0.060 121.424 121.300 0.107 0.000 2.350 272 W HA -0.159 4.511 4.660 0.017 0.000 0.289 272 W C 2.088 178.620 176.519 0.022 0.000 1.215 272 W CA 1.584 58.984 57.345 0.091 0.000 1.236 272 W CB -0.057 29.469 29.460 0.111 0.000 1.130 272 W HN 0.163 nan 8.180 nan 0.000 0.541 273 L N -0.389 120.999 121.223 0.275 0.000 2.071 273 L HA -0.124 4.226 4.340 0.017 0.000 0.201 273 L C 2.348 179.174 176.870 -0.073 0.000 1.076 273 L CA 1.058 55.958 54.840 0.101 0.000 0.755 273 L CB -0.981 41.204 42.059 0.211 0.000 0.915 273 L HN -0.153 nan 8.230 nan 0.000 0.445 274 I N 0.072 120.607 120.570 -0.060 0.000 2.479 274 I HA -0.301 3.879 4.170 0.017 0.000 0.258 274 I C 1.325 177.337 176.117 -0.175 0.000 1.165 274 I CA 0.937 62.153 61.300 -0.140 0.000 1.422 274 I CB -0.375 37.458 38.000 -0.279 0.000 1.087 274 I HN 0.415 nan 8.210 nan 0.000 0.441 275 N N -0.131 118.419 118.700 -0.250 0.000 2.948 275 N HA 0.301 5.051 4.740 0.017 0.000 0.323 275 N C 1.012 176.234 175.510 -0.480 0.000 1.374 275 N CA -0.585 52.228 53.050 -0.395 0.000 0.765 275 N CB 0.887 38.918 38.487 -0.760 0.000 1.152 275 N HN -0.167 nan 8.380 nan 0.000 0.528 276 I N -0.856 119.331 120.570 -0.639 0.000 3.697 276 I HA -0.253 3.927 4.170 0.017 0.000 0.183 276 I C 1.582 177.606 176.117 -0.155 0.000 0.635 276 I CA 1.205 62.264 61.300 -0.401 0.000 1.269 276 I CB -2.428 35.132 38.000 -0.733 0.000 1.207 276 I HN 0.729 nan 8.210 nan 0.000 0.264 277 G N -0.115 108.563 108.800 -0.203 0.000 2.408 277 G HA2 -0.201 3.769 3.960 0.017 0.000 0.217 277 G HA3 -0.201 3.769 3.960 0.017 0.000 0.217 277 G C 1.027 175.777 174.900 -0.249 0.000 1.150 277 G CA 1.081 46.059 45.100 -0.203 0.000 0.776 277 G HN 0.610 nan 8.290 nan 0.000 0.542 278 H N -1.105 117.859 119.070 -0.176 0.000 2.566 278 H HA 0.192 4.758 4.556 0.017 0.000 0.280 278 H C 0.384 175.777 175.328 0.110 0.000 1.042 278 H CA -0.400 55.597 56.048 -0.084 0.000 1.168 278 H CB -0.041 29.654 29.762 -0.113 0.000 1.340 278 H HN 0.293 nan 8.280 nan 0.000 0.597 279 F N 0.737 120.679 119.950 -0.014 0.000 2.898 279 F HA 0.273 4.810 4.527 0.017 0.000 0.290 279 F C -0.062 175.803 175.800 0.108 0.000 1.195 279 F CA -0.452 57.593 58.000 0.075 0.000 1.387 279 F CB -0.159 38.807 39.000 -0.056 0.000 0.976 279 F HN -0.011 nan 8.300 nan 0.000 0.510 280 N N 0.071 118.721 118.700 -0.085 0.000 2.039 280 N HA 0.047 4.797 4.740 0.017 0.000 0.228 280 N C -0.870 174.613 175.510 -0.045 0.000 1.369 280 N CA -0.136 52.816 53.050 -0.163 0.000 0.806 280 N CB 0.285 38.673 38.487 -0.165 0.000 1.190 280 N HN 0.120 nan 8.380 nan 0.000 0.506 281 D N -0.180 120.221 120.400 0.002 0.000 2.354 281 D HA 0.201 4.851 4.640 0.017 0.000 0.247 281 D C -1.340 174.907 176.300 -0.089 0.000 1.138 281 D CA -1.535 52.454 54.000 -0.018 0.000 0.958 281 D CB 0.799 41.601 40.800 0.004 0.000 1.144 281 D HN -0.050 nan 8.370 nan 0.000 0.458 282 P HA -0.110 nan 4.420 nan 0.000 0.223 282 P C 1.120 178.351 177.300 -0.115 0.000 1.144 282 P CA 0.574 63.648 63.100 -0.045 0.000 0.783 282 P CB 0.255 31.959 31.700 0.007 0.000 0.771 283 V N -0.594 119.165 119.914 -0.259 0.000 2.358 283 V HA -0.203 3.927 4.120 0.017 0.000 0.246 283 V C 1.381 177.289 176.094 -0.310 0.000 1.047 283 V CA 1.946 64.045 62.300 -0.335 0.000 1.035 283 V CB -1.664 29.866 31.823 -0.488 0.000 0.658 283 V HN 0.336 nan 8.190 nan 0.000 0.452 284 H N -0.305 118.756 119.070 -0.014 0.000 2.487 284 H HA 0.549 5.115 4.556 0.017 0.000 0.290 284 H C 1.506 176.846 175.328 0.021 0.000 1.081 284 H CA 0.361 56.413 56.048 0.007 0.000 1.116 284 H CB -0.049 29.742 29.762 0.049 0.000 1.560 284 H HN 0.364 nan 8.280 nan 0.000 0.548 285 G N 0.689 109.506 108.800 0.029 0.000 2.153 285 G HA2 -0.251 3.719 3.960 0.017 0.000 0.252 285 G HA3 -0.251 3.719 3.960 0.017 0.000 0.252 285 G C 1.301 176.222 174.900 0.035 0.000 0.994 285 G CA 0.256 45.375 45.100 0.031 0.000 0.698 285 G HN 1.190 nan 8.290 nan 0.000 0.521 286 G N -1.282 107.535 108.800 0.028 0.000 2.166 286 G HA2 -0.036 3.934 3.960 0.017 0.000 0.260 286 G HA3 -0.036 3.934 3.960 0.017 0.000 0.260 286 G C 0.726 175.606 174.900 -0.034 0.000 0.986 286 G CA 1.461 46.554 45.100 -0.012 0.000 0.683 286 G HN 2.206 nan 8.290 nan 0.000 0.527 287 S N -0.655 115.063 115.700 0.029 0.000 2.568 287 S HA 0.269 4.749 4.470 0.017 0.000 0.282 287 S C 1.119 175.676 174.600 -0.071 0.000 1.338 287 S CA 0.697 58.924 58.200 0.046 0.000 1.045 287 S CB 0.080 63.296 63.200 0.027 0.000 0.873 287 S HN 1.218 nan 8.310 nan 0.000 0.516 288 W N 5.002 126.241 121.300 -0.103 0.000 3.434 288 W HA 0.415 5.085 4.660 0.017 0.000 0.297 288 W C 0.236 177.127 176.519 0.619 0.000 1.295 288 W CA -0.289 57.029 57.345 -0.044 0.000 1.731 288 W CB -0.308 29.148 29.460 -0.007 0.000 1.070 288 W HN 0.554 nan 8.180 nan 0.000 0.726 289 I N -0.347 120.311 120.570 0.145 0.000 4.228 289 I HA 0.086 4.266 4.170 0.017 0.000 0.298 289 I C 2.600 178.836 176.117 0.197 0.000 1.206 289 I CA -0.408 60.941 61.300 0.081 0.000 1.322 289 I CB -0.156 37.649 38.000 -0.325 0.000 1.411 289 I HN -0.193 nan 8.210 nan 0.000 0.454 290 R N 1.328 121.977 120.500 0.249 0.000 2.103 290 R HA -0.139 4.211 4.340 0.017 0.000 0.234 290 R C 2.113 178.467 176.300 0.091 0.000 1.132 290 R CA 1.981 58.172 56.100 0.151 0.000 0.925 290 R CB -0.843 29.544 30.300 0.146 0.000 0.842 290 R HN 0.387 nan 8.270 nan 0.000 0.430 291 G N -0.230 108.718 108.800 0.247 0.000 2.708 291 G HA2 -0.086 3.884 3.960 0.017 0.000 0.210 291 G HA3 -0.086 3.884 3.960 0.017 0.000 0.210 291 G C 1.262 176.142 174.900 -0.033 0.000 1.141 291 G CA 0.654 45.722 45.100 -0.052 0.000 0.788 291 G HN 0.415 nan 8.290 nan 0.000 0.531 292 A N 0.495 122.942 122.820 -0.623 0.000 1.935 292 A HA 0.259 4.589 4.320 0.017 0.000 0.214 292 A C 2.234 179.852 177.584 0.056 0.000 1.178 292 A CA 0.508 52.209 52.037 -0.561 0.000 0.640 292 A CB -0.115 18.369 19.000 -0.861 0.000 0.825 292 A HN 0.335 nan 8.150 nan 0.000 0.447 293 I N -1.715 118.871 120.570 0.026 0.000 2.315 293 I HA -0.218 3.962 4.170 0.017 0.000 0.248 293 I C 2.406 178.659 176.117 0.226 0.000 1.117 293 I CA 1.424 62.813 61.300 0.149 0.000 1.404 293 I CB -0.333 37.706 38.000 0.066 0.000 1.071 293 I HN 0.539 nan 8.210 nan 0.000 0.419 294 Y N 0.881 121.184 120.300 0.005 0.000 2.114 294 Y HA -0.323 4.237 4.550 0.017 0.000 0.284 294 Y C 2.329 178.204 175.900 -0.042 0.000 1.143 294 Y CA 1.707 59.766 58.100 -0.068 0.000 1.135 294 Y CB -0.591 37.713 38.460 -0.260 0.000 0.980 294 Y HN 0.050 nan 8.280 nan 0.000 0.499 295 Y N -1.172 119.170 120.300 0.069 0.000 2.421 295 Y HA -0.191 4.369 4.550 0.017 0.000 0.292 295 Y C 2.206 178.208 175.900 0.171 0.000 1.136 295 Y CA 1.478 59.591 58.100 0.022 0.000 1.255 295 Y CB -0.610 37.857 38.460 0.013 0.000 0.991 295 Y HN 0.327 nan 8.280 nan 0.000 0.552 296 F N 0.950 121.078 119.950 0.297 0.000 2.146 296 F HA -0.157 4.380 4.527 0.017 0.000 0.298 296 F C 2.039 177.854 175.800 0.025 0.000 1.096 296 F CA 1.554 59.691 58.000 0.228 0.000 1.275 296 F CB -0.301 38.788 39.000 0.147 0.000 1.008 296 F HN -0.204 nan 8.300 nan 0.000 0.480 297 K N 0.437 120.756 120.400 -0.135 0.000 2.097 297 K HA -0.152 4.178 4.320 0.017 0.000 0.206 297 K C 2.190 178.577 176.600 -0.355 0.000 1.049 297 K CA 1.814 57.917 56.287 -0.306 0.000 0.933 297 K CB -0.363 31.999 32.500 -0.229 0.000 0.717 297 K HN 0.368 nan 8.250 nan 0.000 0.442 298 I N 0.823 121.153 120.570 -0.400 0.000 2.286 298 I HA -0.287 3.893 4.170 0.017 0.000 0.248 298 I C 2.438 178.463 176.117 -0.154 0.000 1.115 298 I CA 0.913 62.023 61.300 -0.317 0.000 1.392 298 I CB -0.332 37.446 38.000 -0.370 0.000 1.065 298 I HN 0.171 nan 8.210 nan 0.000 0.418 299 A N 0.478 123.230 122.820 -0.112 0.000 1.845 299 A HA -0.161 4.169 4.320 0.017 0.000 0.215 299 A C 2.410 179.893 177.584 -0.168 0.000 1.195 299 A CA 1.746 53.741 52.037 -0.070 0.000 0.616 299 A CB -1.039 17.952 19.000 -0.015 0.000 0.832 299 A HN 0.201 nan 8.150 nan 0.000 0.443 300 V N 0.034 119.746 119.914 -0.336 0.000 2.287 300 V HA -0.290 3.840 4.120 0.017 0.000 0.248 300 V C 3.089 179.070 176.094 -0.188 0.000 1.053 300 V CA 2.138 64.250 62.300 -0.314 0.000 1.027 300 V CB -1.304 30.234 31.823 -0.474 0.000 0.646 300 V HN 0.638 nan 8.190 nan 0.000 0.447 301 A N -0.506 122.206 122.820 -0.180 0.000 1.940 301 A HA -0.223 4.107 4.320 0.017 0.000 0.219 301 A C 2.150 179.689 177.584 -0.076 0.000 1.176 301 A CA 2.158 54.130 52.037 -0.109 0.000 0.631 301 A CB -0.574 18.362 19.000 -0.107 0.000 0.814 301 A HN 0.452 nan 8.150 nan 0.000 0.446 302 L N -0.664 120.513 121.223 -0.078 0.000 2.141 302 L HA 0.032 4.382 4.340 0.017 0.000 0.209 302 L C 2.646 179.482 176.870 -0.055 0.000 1.094 302 L CA 1.774 56.586 54.840 -0.047 0.000 0.763 302 L CB -0.732 41.320 42.059 -0.012 0.000 0.908 302 L HN 0.353 nan 8.230 nan 0.000 0.437 303 A N -1.284 121.495 122.820 -0.069 0.000 1.855 303 A HA -0.120 4.210 4.320 0.017 0.000 0.215 303 A C 2.241 179.789 177.584 -0.060 0.000 1.191 303 A CA 1.778 53.775 52.037 -0.066 0.000 0.613 303 A CB -1.046 17.909 19.000 -0.075 0.000 0.829 303 A HN 0.216 nan 8.150 nan 0.000 0.442 304 V N 0.183 120.062 119.914 -0.059 0.000 2.324 304 V HA -0.311 3.819 4.120 0.017 0.000 0.250 304 V C 3.021 179.091 176.094 -0.040 0.000 1.060 304 V CA 2.057 64.333 62.300 -0.041 0.000 1.042 304 V CB -1.393 30.411 31.823 -0.032 0.000 0.650 304 V HN 0.641 nan 8.190 nan 0.000 0.450 305 A N 0.155 122.948 122.820 -0.046 0.000 1.841 305 A HA -0.169 4.161 4.320 0.017 0.000 0.216 305 A C 2.466 180.004 177.584 -0.077 0.000 1.199 305 A CA 2.489 54.493 52.037 -0.055 0.000 0.621 305 A CB -1.138 17.832 19.000 -0.049 0.000 0.835 305 A HN 0.592 nan 8.150 nan 0.000 0.445 306 A N -0.412 122.360 122.820 -0.080 0.000 1.902 306 A HA 0.062 4.392 4.320 0.017 0.000 0.217 306 A C 1.200 178.727 177.584 -0.095 0.000 1.181 306 A CA 0.787 52.766 52.037 -0.098 0.000 0.623 306 A CB -0.726 18.218 19.000 -0.093 0.000 0.818 306 A HN 0.512 nan 8.150 nan 0.000 0.443 307 I N 1.197 121.723 120.570 -0.074 0.000 2.821 307 I HA -0.020 4.160 4.170 0.017 0.000 0.294 307 I C -2.079 174.010 176.117 -0.047 0.000 1.210 307 I CA -1.068 60.197 61.300 -0.059 0.000 1.430 307 I CB 0.702 38.677 38.000 -0.041 0.000 1.356 307 I HN 0.113 nan 8.210 nan 0.000 0.563 308 P HA 0.018 nan 4.420 nan 0.000 0.230 308 P C 0.566 177.917 177.300 0.085 0.000 1.791 308 P CA -0.268 62.846 63.100 0.023 0.000 1.020 308 P CB -0.076 31.674 31.700 0.084 0.000 1.977 309 E N 0.815 121.045 120.200 0.050 0.000 2.219 309 E HA -0.182 4.178 4.350 0.017 0.000 0.198 309 E C 1.479 178.124 176.600 0.075 0.000 0.998 309 E CA 1.848 58.277 56.400 0.049 0.000 0.818 309 E CB -1.283 28.435 29.700 0.031 0.000 0.741 309 E HN 0.370 nan 8.360 nan 0.000 0.477 310 G N 0.755 109.650 108.800 0.159 0.000 3.088 310 G HA2 0.109 4.079 3.960 0.017 0.000 0.212 310 G HA3 0.109 4.079 3.960 0.017 0.000 0.212 310 G C 1.302 176.299 174.900 0.161 0.000 1.173 310 G CA 0.139 45.349 45.100 0.184 0.000 0.779 310 G HN 0.212 nan 8.290 nan 0.000 0.540 311 L N 1.384 122.730 121.223 0.205 0.000 2.027 311 L HA 0.130 4.480 4.340 0.017 0.000 0.206 311 L C -0.086 176.722 176.870 -0.103 0.000 1.074 311 L CA 1.766 56.632 54.840 0.044 0.000 0.745 311 L CB -0.684 41.512 42.059 0.229 0.000 0.898 311 L HN 0.007 nan 8.230 nan 0.000 0.433 312 P HA -0.141 nan 4.420 nan 0.000 0.216 312 P C 1.431 178.669 177.300 -0.102 0.000 1.150 312 P CA 1.946 65.008 63.100 -0.063 0.000 0.837 312 P CB -0.155 31.520 31.700 -0.042 0.000 0.786 313 A N -0.723 122.029 122.820 -0.113 0.000 1.897 313 A HA -0.101 4.229 4.320 0.017 0.000 0.215 313 A C 2.364 179.854 177.584 -0.157 0.000 1.181 313 A CA 1.419 53.386 52.037 -0.116 0.000 0.620 313 A CB -1.609 17.336 19.000 -0.092 0.000 0.821 313 A HN 0.124 nan 8.150 nan 0.000 0.443 314 V N 0.177 119.935 119.914 -0.259 0.000 2.594 314 V HA -0.197 3.933 4.120 0.017 0.000 0.253 314 V C 2.158 178.060 176.094 -0.319 0.000 1.069 314 V CA 2.077 64.160 62.300 -0.361 0.000 1.082 314 V CB -0.482 30.875 31.823 -0.777 0.000 0.680 314 V HN 0.555 nan 8.190 nan 0.000 0.469 315 I N -0.806 119.601 120.570 -0.271 0.000 2.235 315 I HA -0.151 4.029 4.170 0.017 0.000 0.241 315 I C 2.522 178.552 176.117 -0.146 0.000 1.085 315 I CA 1.712 62.897 61.300 -0.193 0.000 1.378 315 I CB -0.994 36.923 38.000 -0.139 0.000 1.076 315 I HN 0.165 nan 8.210 nan 0.000 0.415 316 T N 0.563 115.044 114.554 -0.121 0.000 2.649 316 T HA -0.243 4.117 4.350 0.017 0.000 0.268 316 T C 1.916 176.555 174.700 -0.101 0.000 1.036 316 T CA 2.470 64.515 62.100 -0.092 0.000 1.157 316 T CB -0.395 68.428 68.868 -0.076 0.000 0.861 316 T HN 0.404 nan 8.240 nan 0.000 0.445 317 T N 1.016 115.497 114.554 -0.122 0.000 2.643 317 T HA -0.137 4.223 4.350 0.017 0.000 0.264 317 T C 2.273 176.847 174.700 -0.210 0.000 1.045 317 T CA 1.501 63.519 62.100 -0.137 0.000 1.155 317 T CB -0.843 67.951 68.868 -0.123 0.000 0.863 317 T HN 0.456 nan 8.240 nan 0.000 0.420 318 C N 0.969 120.119 119.300 -0.249 0.000 2.403 318 C HA -0.030 4.440 4.460 0.017 0.000 0.279 318 C C 2.601 177.479 174.990 -0.187 0.000 1.269 318 C CA 0.228 59.086 59.018 -0.267 0.000 1.774 318 C CB -1.487 26.112 27.740 -0.234 0.000 1.993 318 C HN 0.380 nan 8.230 nan 0.000 0.496 319 L N 1.465 122.604 121.223 -0.141 0.000 1.961 319 L HA -0.072 4.278 4.340 0.017 0.000 0.210 319 L C 2.801 179.614 176.870 -0.095 0.000 1.072 319 L CA 2.395 57.174 54.840 -0.101 0.000 0.749 319 L CB -1.566 40.445 42.059 -0.079 0.000 0.889 319 L HN 0.290 nan 8.230 nan 0.000 0.432 320 A N -0.980 121.785 122.820 -0.091 0.000 1.940 320 A HA -0.230 4.100 4.320 0.017 0.000 0.219 320 A C 2.279 179.814 177.584 -0.082 0.000 1.176 320 A CA 1.972 53.968 52.037 -0.069 0.000 0.631 320 A CB -0.909 18.062 19.000 -0.048 0.000 0.814 320 A HN 0.380 nan 8.150 nan 0.000 0.446 321 L N 0.009 121.151 121.223 -0.136 0.000 2.056 321 L HA 0.009 4.359 4.340 0.017 0.000 0.207 321 L C 2.394 179.185 176.870 -0.132 0.000 1.078 321 L CA 2.283 57.022 54.840 -0.168 0.000 0.749 321 L CB -1.069 40.788 42.059 -0.337 0.000 0.901 321 L HN 0.289 nan 8.230 nan 0.000 0.433 322 G N -1.789 106.934 108.800 -0.128 0.000 2.440 322 G HA2 -0.265 3.705 3.960 0.017 0.000 0.218 322 G HA3 -0.265 3.705 3.960 0.017 0.000 0.218 322 G C 1.445 176.305 174.900 -0.067 0.000 1.154 322 G CA 1.238 46.283 45.100 -0.093 0.000 0.767 322 G HN 0.432 nan 8.290 nan 0.000 0.552 323 T N 0.085 114.602 114.554 -0.062 0.000 2.746 323 T HA -0.100 4.260 4.350 0.017 0.000 0.267 323 T C 2.350 177.027 174.700 -0.038 0.000 1.039 323 T CA 1.352 63.425 62.100 -0.046 0.000 1.142 323 T CB -0.108 68.736 68.868 -0.041 0.000 0.866 323 T HN 0.313 nan 8.240 nan 0.000 0.444 324 R N 0.698 121.176 120.500 -0.037 0.000 2.096 324 R HA -0.010 4.340 4.340 0.017 0.000 0.235 324 R C 2.524 178.812 176.300 -0.020 0.000 1.127 324 R CA 1.257 57.344 56.100 -0.021 0.000 0.968 324 R CB 0.011 30.305 30.300 -0.010 0.000 0.861 324 R HN 0.313 nan 8.270 nan 0.000 0.440 325 R N -0.700 119.781 120.500 -0.032 0.000 2.073 325 R HA 0.001 4.351 4.340 0.017 0.000 0.229 325 R C 2.295 178.577 176.300 -0.029 0.000 1.120 325 R CA 1.317 57.401 56.100 -0.027 0.000 0.967 325 R CB -0.161 30.118 30.300 -0.035 0.000 0.862 325 R HN 0.179 nan 8.270 nan 0.000 0.436 326 M N 0.413 119.991 119.600 -0.036 0.000 2.108 326 M HA -0.095 4.395 4.480 0.017 0.000 0.261 326 M C 2.398 178.678 176.300 -0.035 0.000 1.066 326 M CA 1.625 56.903 55.300 -0.038 0.000 1.107 326 M CB -0.967 31.608 32.600 -0.041 0.000 1.356 326 M HN 0.220 nan 8.290 nan 0.000 0.406 327 A N -0.251 122.551 122.820 -0.030 0.000 1.933 327 A HA -0.191 4.139 4.320 0.017 0.000 0.218 327 A C 2.296 179.860 177.584 -0.033 0.000 1.175 327 A CA 1.824 53.844 52.037 -0.028 0.000 0.628 327 A CB -0.648 18.340 19.000 -0.019 0.000 0.814 327 A HN 0.501 nan 8.150 nan 0.000 0.444 328 K N -0.225 120.159 120.400 -0.027 0.000 2.283 328 K HA -0.077 4.253 4.320 0.017 0.000 0.202 328 K C 0.854 177.432 176.600 -0.037 0.000 1.048 328 K CA 1.244 57.514 56.287 -0.028 0.000 0.948 328 K CB -0.058 32.435 32.500 -0.012 0.000 0.742 328 K HN 0.395 nan 8.250 nan 0.000 0.458 329 K N 0.734 121.112 120.400 -0.037 0.000 2.500 329 K HA 0.134 4.464 4.320 0.017 0.000 0.206 329 K C -0.396 176.175 176.600 -0.048 0.000 1.034 329 K CA -0.040 56.223 56.287 -0.039 0.000 1.179 329 K CB 0.420 32.900 32.500 -0.033 0.000 0.884 329 K HN 0.148 nan 8.250 nan 0.000 0.493 330 N N -0.161 118.504 118.700 -0.058 0.000 2.741 330 N HA -0.193 4.557 4.740 0.017 0.000 0.250 330 N C -0.813 174.671 175.510 -0.042 0.000 1.115 330 N CA 1.133 54.146 53.050 -0.062 0.000 0.724 330 N CB -1.441 36.999 38.487 -0.078 0.000 1.090 330 N HN 0.350 nan 8.380 nan 0.000 0.558 331 A N 0.425 123.221 122.820 -0.039 0.000 2.288 331 A HA 0.723 5.053 4.320 0.017 0.000 0.320 331 A C 0.395 177.961 177.584 -0.030 0.000 1.217 331 A CA -0.508 51.508 52.037 -0.036 0.000 0.840 331 A CB 0.827 19.800 19.000 -0.045 0.000 1.179 331 A HN 0.242 nan 8.150 nan 0.000 0.504 332 I N 2.977 123.533 120.570 -0.024 0.000 2.304 332 I HA 0.219 4.399 4.170 0.017 0.000 0.291 332 I C -0.485 175.618 176.117 -0.023 0.000 1.018 332 I CA -0.489 60.800 61.300 -0.019 0.000 1.260 332 I CB 1.668 39.663 38.000 -0.009 0.000 1.390 332 I HN 0.298 nan 8.210 nan 0.000 0.475 333 V N 8.020 127.919 119.914 -0.025 0.000 2.368 333 V HA 0.238 4.368 4.120 0.017 0.000 0.266 333 V C 1.210 177.291 176.094 -0.023 0.000 1.045 333 V CA -0.334 61.950 62.300 -0.027 0.000 0.899 333 V CB 0.794 32.598 31.823 -0.031 0.000 1.006 333 V HN 0.723 nan 8.190 nan 0.000 0.470 334 R N 2.504 122.991 120.500 -0.021 0.000 2.297 334 R HA 0.163 4.513 4.340 0.017 0.000 0.197 334 R C 0.581 176.870 176.300 -0.019 0.000 0.943 334 R CA 0.366 56.456 56.100 -0.018 0.000 1.038 334 R CB 0.448 30.740 30.300 -0.015 0.000 0.957 334 R HN 0.562 nan 8.270 nan 0.000 0.484 335 S N 0.228 115.915 115.700 -0.022 0.000 2.653 335 S HA 0.168 4.648 4.470 0.017 0.000 0.268 335 S C 0.771 175.356 174.600 -0.024 0.000 1.153 335 S CA -0.729 57.458 58.200 -0.021 0.000 1.036 335 S CB 0.881 64.070 63.200 -0.019 0.000 1.103 335 S HN 0.057 nan 8.310 nan 0.000 0.466 336 L N 4.356 125.564 121.223 -0.025 0.000 2.010 336 L HA -0.057 4.293 4.340 0.017 0.000 0.219 336 L C -0.478 176.376 176.870 -0.027 0.000 1.077 336 L CA 2.158 56.981 54.840 -0.028 0.000 0.773 336 L CB -1.892 40.151 42.059 -0.028 0.000 0.892 336 L HN 0.604 nan 8.230 nan 0.000 0.436 337 P HA -0.123 nan 4.420 nan 0.000 0.229 337 P C 1.590 178.876 177.300 -0.023 0.000 1.150 337 P CA 1.345 64.433 63.100 -0.020 0.000 0.765 337 P CB -0.185 31.506 31.700 -0.016 0.000 0.783 338 S N -0.987 114.696 115.700 -0.028 0.000 2.399 338 S HA -0.098 4.382 4.470 0.017 0.000 0.231 338 S C 1.959 176.538 174.600 -0.036 0.000 1.022 338 S CA 1.226 59.407 58.200 -0.032 0.000 0.983 338 S CB -1.569 61.611 63.200 -0.034 0.000 0.803 338 S HN 0.042 nan 8.310 nan 0.000 0.480 339 V N 3.413 123.306 119.914 -0.036 0.000 2.346 339 V HA -0.126 4.004 4.120 0.017 0.000 0.244 339 V C 2.873 178.949 176.094 -0.030 0.000 1.037 339 V CA 1.712 63.990 62.300 -0.038 0.000 1.029 339 V CB -0.966 30.833 31.823 -0.041 0.000 0.663 339 V HN 0.751 nan 8.190 nan 0.000 0.454 340 E N 0.759 120.946 120.200 -0.022 0.000 2.077 340 E HA -0.225 4.135 4.350 0.017 0.000 0.193 340 E C 1.998 178.584 176.600 -0.023 0.000 0.989 340 E CA 2.053 58.447 56.400 -0.009 0.000 0.800 340 E CB -0.738 28.966 29.700 0.008 0.000 0.746 340 E HN 0.537 nan 8.360 nan 0.000 0.452 341 T N 1.478 116.017 114.554 -0.026 0.000 2.737 341 T HA -0.112 4.248 4.350 0.017 0.000 0.265 341 T C 1.762 176.439 174.700 -0.038 0.000 1.038 341 T CA 1.075 63.157 62.100 -0.031 0.000 1.144 341 T CB -0.328 68.525 68.868 -0.026 0.000 0.866 341 T HN 0.047 nan 8.240 nan 0.000 0.434 342 L N 1.810 123.010 121.223 -0.039 0.000 2.127 342 L HA 0.049 4.399 4.340 0.017 0.000 0.211 342 L C 2.498 179.340 176.870 -0.047 0.000 1.089 342 L CA 1.625 56.437 54.840 -0.046 0.000 0.757 342 L CB -1.306 40.721 42.059 -0.053 0.000 0.899 342 L HN 0.328 nan 8.230 nan 0.000 0.434 343 G N -0.720 108.053 108.800 -0.044 0.000 2.513 343 G HA2 -0.318 3.652 3.960 0.017 0.000 0.219 343 G HA3 -0.318 3.652 3.960 0.017 0.000 0.219 343 G C 0.911 175.771 174.900 -0.065 0.000 1.160 343 G CA 1.061 46.133 45.100 -0.047 0.000 0.767 343 G HN 0.627 nan 8.290 nan 0.000 0.571 344 C N 0.977 120.231 119.300 -0.077 0.000 2.572 344 C HA 0.636 5.106 4.460 0.017 0.000 0.428 344 C C 0.289 175.245 174.990 -0.056 0.000 1.269 344 C CA -1.388 57.579 59.018 -0.085 0.000 1.640 344 C CB -1.266 26.400 27.740 -0.125 0.000 1.977 344 C HN 0.073 nan 8.230 nan 0.000 0.571 345 T N 1.494 116.021 114.554 -0.045 0.000 2.795 345 T HA 0.360 4.720 4.350 0.017 0.000 0.282 345 T C 1.130 175.815 174.700 -0.025 0.000 0.980 345 T CA -0.091 61.990 62.100 -0.031 0.000 1.012 345 T CB 1.555 70.403 68.868 -0.033 0.000 0.936 345 T HN 0.693 nan 8.240 nan 0.000 0.457 346 S N 1.456 117.148 115.700 -0.014 0.000 2.502 346 S HA 0.281 4.761 4.470 0.017 0.000 0.215 346 S C 0.413 175.013 174.600 -0.001 0.000 1.009 346 S CA -0.346 57.848 58.200 -0.010 0.000 0.908 346 S CB 0.281 63.477 63.200 -0.008 0.000 0.801 346 S HN 0.452 nan 8.310 nan 0.000 0.505 347 V N 1.821 121.738 119.914 0.006 0.000 2.668 347 V HA 0.504 4.634 4.120 0.017 0.000 0.304 347 V C -1.160 174.944 176.094 0.016 0.000 1.071 347 V CA -0.733 61.577 62.300 0.017 0.000 0.894 347 V CB 1.731 33.572 31.823 0.030 0.000 1.008 347 V HN 0.310 nan 8.190 nan 0.000 0.425 348 I N 3.693 124.278 120.570 0.025 0.000 2.428 348 I HA 0.355 4.535 4.170 0.017 0.000 0.279 348 I C 0.008 176.158 176.117 0.055 0.000 1.040 348 I CA -0.071 61.248 61.300 0.031 0.000 1.171 348 I CB 1.104 39.124 38.000 0.034 0.000 1.312 348 I HN 0.579 nan 8.210 nan 0.000 0.470 349 C N 3.557 122.884 119.300 0.044 0.000 2.652 349 C HA 0.492 4.962 4.460 0.017 0.000 0.412 349 C C 0.831 175.863 174.990 0.070 0.000 1.294 349 C CA -0.117 58.931 59.018 0.049 0.000 2.127 349 C CB 0.499 28.252 27.740 0.021 0.000 2.691 349 C HN 0.771 nan 8.230 nan 0.000 0.615 350 S N 0.927 116.677 115.700 0.083 0.000 2.603 350 S HA 0.290 4.770 4.470 0.017 0.000 0.274 350 S C -0.932 173.716 174.600 0.080 0.000 1.168 350 S CA -0.554 57.710 58.200 0.107 0.000 0.963 350 S CB 0.871 64.180 63.200 0.182 0.000 1.078 350 S HN 0.888 nan 8.310 nan 0.000 0.477 351 D N 2.668 123.114 120.400 0.076 0.000 2.429 351 D HA 0.074 4.724 4.640 0.017 0.000 0.233 351 D C 1.006 177.340 176.300 0.056 0.000 1.202 351 D CA 0.660 54.700 54.000 0.067 0.000 0.879 351 D CB 0.666 41.505 40.800 0.066 0.000 1.212 351 D HN 0.566 nan 8.370 nan 0.000 0.465 352 K N 0.250 120.677 120.400 0.045 0.000 2.214 352 K HA 0.053 4.383 4.320 0.017 0.000 0.210 352 K C -0.039 176.574 176.600 0.022 0.000 1.036 352 K CA 0.100 56.400 56.287 0.022 0.000 0.958 352 K CB -0.031 32.482 32.500 0.022 0.000 0.973 352 K HN 0.488 nan 8.250 nan 0.000 0.466 353 T N 1.041 115.615 114.554 0.034 0.000 2.769 353 T HA 0.279 4.639 4.350 0.017 0.000 0.293 353 T C 0.683 175.404 174.700 0.036 0.000 0.931 353 T CA 0.504 62.622 62.100 0.031 0.000 1.139 353 T CB 0.783 69.671 68.868 0.034 0.000 0.881 353 T HN 0.646 nan 8.240 nan 0.000 0.532 354 G N 3.183 112.002 108.800 0.032 0.000 2.199 354 G HA2 -0.310 3.660 3.960 0.017 0.000 0.254 354 G HA3 -0.310 3.660 3.960 0.017 0.000 0.254 354 G C 0.819 175.749 174.900 0.049 0.000 0.982 354 G CA 0.586 45.709 45.100 0.040 0.000 0.632 354 G HN 0.688 nan 8.290 nan 0.000 0.529 355 T N -0.059 114.524 114.554 0.049 0.000 3.391 355 T HA 0.304 4.664 4.350 0.017 0.000 0.233 355 T C 2.032 176.766 174.700 0.057 0.000 0.960 355 T CA 0.953 63.103 62.100 0.083 0.000 1.342 355 T CB -0.167 68.759 68.868 0.096 0.000 1.124 355 T HN 0.039 nan 8.240 nan 0.000 0.396 356 L N 2.151 123.362 121.223 -0.019 0.000 2.201 356 L HA 0.139 4.489 4.340 0.017 0.000 0.212 356 L C 1.649 178.454 176.870 -0.108 0.000 1.105 356 L CA 1.283 56.029 54.840 -0.155 0.000 0.775 356 L CB -1.340 40.616 42.059 -0.172 0.000 0.913 356 L HN 0.507 nan 8.230 nan 0.000 0.440 357 T N -5.456 109.070 114.554 -0.047 0.000 2.937 357 T HA 0.323 4.683 4.350 0.017 0.000 0.283 357 T C 1.247 175.942 174.700 -0.009 0.000 1.012 357 T CA 0.107 62.188 62.100 -0.033 0.000 0.997 357 T CB 1.336 70.192 68.868 -0.020 0.000 1.136 357 T HN 0.183 nan 8.240 nan 0.000 0.551 358 T N -1.513 113.035 114.554 -0.010 0.000 3.067 358 T HA 0.063 4.423 4.350 0.017 0.000 0.261 358 T C 1.105 175.817 174.700 0.019 0.000 1.110 358 T CA 0.710 62.811 62.100 0.001 0.000 1.113 358 T CB -0.746 68.115 68.868 -0.013 0.000 0.917 358 T HN 0.814 nan 8.240 nan 0.000 0.499 359 N N 0.803 119.516 118.700 0.021 0.000 2.782 359 N HA -0.175 4.575 4.740 0.017 0.000 0.251 359 N C -0.736 174.820 175.510 0.076 0.000 1.101 359 N CA 0.637 53.717 53.050 0.049 0.000 0.764 359 N CB -1.681 36.842 38.487 0.060 0.000 1.122 359 N HN 0.721 nan 8.380 nan 0.000 0.561 360 Q N 0.344 120.149 119.800 0.007 0.000 2.571 360 Q HA 0.278 4.628 4.340 0.017 0.000 0.222 360 Q C -0.083 175.828 176.000 -0.148 0.000 1.167 360 Q CA -0.090 55.656 55.803 -0.096 0.000 0.966 360 Q CB 0.620 29.276 28.738 -0.137 0.000 1.274 360 Q HN 0.253 nan 8.270 nan 0.000 0.552 361 M N 0.849 120.412 119.600 -0.061 0.000 2.216 361 M HA 0.331 4.821 4.480 0.017 0.000 0.356 361 M C -0.090 176.158 176.300 -0.087 0.000 1.205 361 M CA 0.082 55.376 55.300 -0.012 0.000 1.122 361 M CB 1.421 34.092 32.600 0.117 0.000 1.571 361 M HN 0.260 nan 8.290 nan 0.000 0.464 362 S N 1.718 117.373 115.700 -0.075 0.000 2.571 362 S HA 0.523 5.003 4.470 0.017 0.000 0.284 362 S C -0.724 173.845 174.600 -0.052 0.000 1.128 362 S CA -0.662 57.492 58.200 -0.078 0.000 0.970 362 S CB 1.899 65.027 63.200 -0.119 0.000 1.039 362 S HN 0.443 nan 8.310 nan 0.000 0.485 363 V N 4.119 124.009 119.914 -0.039 0.000 2.389 363 V HA 0.138 4.268 4.120 0.017 0.000 0.264 363 V C 1.118 177.165 176.094 -0.079 0.000 1.049 363 V CA -0.282 61.987 62.300 -0.050 0.000 0.932 363 V CB 0.069 31.869 31.823 -0.038 0.000 1.011 363 V HN 1.163 nan 8.190 nan 0.000 0.475 364 C N 2.471 121.702 119.300 -0.114 0.000 3.097 364 C HA 0.475 4.945 4.460 0.017 0.000 0.335 364 C C 0.684 175.554 174.990 -0.200 0.000 1.283 364 C CA -0.602 58.331 59.018 -0.141 0.000 1.778 364 C CB -0.725 26.925 27.740 -0.150 0.000 2.365 364 C HN 0.705 nan 8.230 nan 0.000 0.627 365 K N 1.525 121.751 120.400 -0.289 0.000 2.426 365 K HA 0.769 5.099 4.320 0.017 0.000 0.251 365 K C -0.832 175.683 176.600 -0.143 0.000 0.941 365 K CA -0.260 55.772 56.287 -0.425 0.000 0.808 365 K CB 2.147 33.916 32.500 -1.218 0.000 1.265 365 K HN 0.562 nan 8.250 nan 0.000 0.432 366 M N 1.042 120.740 119.600 0.164 0.000 2.578 366 M HA 0.654 5.144 4.480 0.017 0.000 0.276 366 M C -1.766 174.916 176.300 0.638 0.000 1.245 366 M CA -0.908 54.605 55.300 0.355 0.000 0.871 366 M CB 1.989 34.650 32.600 0.103 0.000 1.722 366 M HN 0.595 nan 8.290 nan 0.000 0.473 367 F N 1.056 121.256 119.950 0.417 0.000 2.654 367 F HA 0.881 5.417 4.527 0.015 0.000 0.308 367 F C -1.635 174.297 175.800 0.220 0.000 1.108 367 F CA -1.048 57.157 58.000 0.341 0.000 0.957 367 F CB 1.143 40.283 39.000 0.234 0.000 1.309 367 F HN 0.829 nan 8.300 nan 0.000 0.446 368 I N 0.085 120.958 120.570 0.505 0.000 3.264 368 I HA 0.651 4.831 4.170 0.017 0.000 0.309 368 I C -0.836 175.544 176.117 0.438 0.000 1.099 368 I CA -1.451 60.071 61.300 0.369 0.000 0.989 368 I CB 1.725 39.847 38.000 0.203 0.000 1.250 368 I HN 0.463 nan 8.210 nan 0.000 0.478 369 I N 1.629 122.408 120.570 0.348 0.000 2.662 369 I HA 0.192 4.372 4.170 0.017 0.000 0.291 369 I C 0.170 176.397 176.117 0.184 0.000 1.046 369 I CA 0.529 61.975 61.300 0.243 0.000 1.361 369 I CB 0.904 39.039 38.000 0.226 0.000 1.429 369 I HN 0.859 nan 8.210 nan 0.000 0.558 370 D N 3.015 123.486 120.400 0.119 0.000 3.208 370 D HA 0.144 4.794 4.640 0.017 0.000 0.281 370 D C -0.229 176.135 176.300 0.106 0.000 1.328 370 D CA 0.692 54.767 54.000 0.126 0.000 1.102 370 D CB 0.717 41.579 40.800 0.103 0.000 1.267 370 D HN 0.358 nan 8.370 nan 0.000 0.405 371 K N -0.026 120.414 120.400 0.066 0.000 2.378 371 K HA 0.660 4.990 4.320 0.017 0.000 0.252 371 K C -1.564 175.034 176.600 -0.003 0.000 0.931 371 K CA -0.725 55.622 56.287 0.099 0.000 0.794 371 K CB 3.135 35.794 32.500 0.266 0.000 1.181 371 K HN -0.117 nan 8.250 nan 0.000 0.425 372 V N 2.303 122.248 119.914 0.052 0.000 2.482 372 V HA 0.401 4.531 4.120 0.017 0.000 0.295 372 V C -1.434 174.719 176.094 0.099 0.000 1.026 372 V CA -0.673 61.641 62.300 0.023 0.000 0.856 372 V CB 1.634 33.471 31.823 0.023 0.000 1.001 372 V HN 0.791 nan 8.190 nan 0.000 0.424 373 D N 3.826 124.316 120.400 0.150 0.000 2.337 373 D HA 0.546 5.196 4.640 0.017 0.000 0.238 373 D C 0.460 176.849 176.300 0.150 0.000 1.331 373 D CA 1.035 55.130 54.000 0.158 0.000 0.967 373 D CB 1.151 42.068 40.800 0.195 0.000 1.382 373 D HN 0.925 nan 8.370 nan 0.000 0.549 374 G N 3.528 112.382 108.800 0.089 0.000 2.566 374 G HA2 -0.332 3.638 3.960 0.017 0.000 0.280 374 G HA3 -0.332 3.638 3.960 0.017 0.000 0.280 374 G C 0.694 175.637 174.900 0.071 0.000 1.225 374 G CA 0.258 45.400 45.100 0.070 0.000 0.966 374 G HN 0.504 nan 8.290 nan 0.000 0.560 375 D N 0.174 120.618 120.400 0.072 0.000 2.392 375 D HA 0.049 4.699 4.640 0.017 0.000 0.228 375 D C 0.875 177.232 176.300 0.094 0.000 1.003 375 D CA 0.747 54.781 54.000 0.058 0.000 0.917 375 D CB -0.046 40.782 40.800 0.047 0.000 0.890 375 D HN 0.211 nan 8.370 nan 0.000 0.532 376 F N 1.373 121.314 119.950 -0.017 0.000 2.420 376 F HA 0.297 4.835 4.527 0.018 0.000 0.352 376 F C -0.417 175.370 175.800 -0.020 0.000 1.108 376 F CA -1.236 56.752 58.000 -0.020 0.000 1.162 376 F CB 0.871 39.863 39.000 -0.014 0.000 1.118 376 F HN -0.198 nan 8.300 nan 0.000 0.510 377 C N 6.176 124.951 119.300 -0.875 0.000 2.535 377 C HA 0.825 5.295 4.460 0.017 0.000 0.319 377 C C -0.954 173.492 174.990 -0.907 0.000 1.171 377 C CA -0.057 58.505 59.018 -0.760 0.000 1.394 377 C CB 0.367 27.890 27.740 -0.362 0.000 1.990 377 C HN 1.034 nan 8.230 nan 0.000 0.466 378 S N 6.024 121.312 115.700 -0.686 0.000 2.549 378 S HA 0.838 5.318 4.470 0.017 0.000 0.280 378 S C -1.412 173.073 174.600 -0.191 0.000 1.109 378 S CA -0.678 57.273 58.200 -0.415 0.000 0.905 378 S CB 1.182 64.226 63.200 -0.259 0.000 1.081 378 S HN 0.804 nan 8.310 nan 0.000 0.477 379 L N 2.314 123.433 121.223 -0.174 0.000 2.334 379 L HA 0.541 4.891 4.340 0.017 0.000 0.276 379 L C -0.362 176.474 176.870 -0.055 0.000 1.014 379 L CA -1.050 53.726 54.840 -0.106 0.000 0.815 379 L CB 1.501 43.351 42.059 -0.348 0.000 1.268 379 L HN 0.647 nan 8.230 nan 0.000 0.428 380 N N 2.727 121.453 118.700 0.043 0.000 2.439 380 N HA 0.167 4.917 4.740 0.017 0.000 0.243 380 N C -0.494 174.929 175.510 -0.146 0.000 1.088 380 N CA -0.046 52.950 53.050 -0.089 0.000 0.940 380 N CB 0.685 39.197 38.487 0.040 0.000 1.180 380 N HN 0.600 nan 8.380 nan 0.000 0.505 381 E N 1.223 121.254 120.200 -0.283 0.000 2.314 381 E HA 0.516 4.876 4.350 0.017 0.000 0.262 381 E C -0.647 175.561 176.600 -0.654 0.000 1.093 381 E CA -0.226 56.115 56.400 -0.098 0.000 0.908 381 E CB 1.144 30.916 29.700 0.120 0.000 1.091 381 E HN 0.298 nan 8.360 nan 0.000 0.425 382 F N -0.529 119.484 119.950 0.105 0.000 2.668 382 F HA 0.327 4.863 4.527 0.016 0.000 0.309 382 F C -0.322 175.455 175.800 -0.037 0.000 1.117 382 F CA -0.782 57.213 58.000 -0.008 0.000 0.951 382 F CB 2.175 41.139 39.000 -0.061 0.000 1.323 382 F HN 0.222 nan 8.300 nan 0.000 0.451 383 S N 2.570 118.343 115.700 0.121 0.000 2.566 383 S HA 0.825 5.305 4.470 0.017 0.000 0.298 383 S C -1.375 173.229 174.600 0.006 0.000 1.083 383 S CA -0.670 57.530 58.200 0.000 0.000 0.978 383 S CB 1.903 65.084 63.200 -0.032 0.000 1.073 383 S HN 0.332 nan 8.310 nan 0.000 0.491 384 I N 2.238 122.782 120.570 -0.043 0.000 2.534 384 I HA 0.350 4.530 4.170 0.017 0.000 0.288 384 I C 0.411 176.495 176.117 -0.056 0.000 1.077 384 I CA -0.643 60.631 61.300 -0.044 0.000 1.051 384 I CB 1.129 39.096 38.000 -0.056 0.000 1.234 384 I HN 0.713 nan 8.210 nan 0.000 0.425 385 T N 0.763 115.289 114.554 -0.046 0.000 2.902 385 T HA 0.777 5.137 4.350 0.017 0.000 0.280 385 T C 0.401 175.069 174.700 -0.053 0.000 0.992 385 T CA -0.227 61.845 62.100 -0.048 0.000 1.015 385 T CB 1.741 70.587 68.868 -0.036 0.000 1.044 385 T HN 1.486 nan 8.240 nan 0.000 0.520 386 G N 0.456 109.224 108.800 -0.054 0.000 3.421 386 G HA2 -0.046 3.924 3.960 0.017 0.000 0.686 386 G HA3 -0.046 3.924 3.960 0.017 0.000 0.686 386 G C 0.203 175.057 174.900 -0.076 0.000 1.056 386 G CA -0.206 44.859 45.100 -0.058 0.000 0.891 386 G HN 0.813 nan 8.290 nan 0.000 0.514 387 S N 0.580 116.229 115.700 -0.084 0.000 2.524 387 S HA 0.283 4.763 4.470 0.017 0.000 0.216 387 S C 1.432 175.926 174.600 -0.177 0.000 0.987 387 S CA 1.203 59.335 58.200 -0.113 0.000 0.909 387 S CB 0.367 63.510 63.200 -0.096 0.000 0.781 387 S HN 0.937 nan 8.310 nan 0.000 0.521 388 T N -0.583 113.874 114.554 -0.162 0.000 2.919 388 T HA 0.390 4.749 4.350 0.017 0.000 0.282 388 T C -0.403 174.169 174.700 -0.214 0.000 1.020 388 T CA -0.487 61.486 62.100 -0.212 0.000 0.994 388 T CB 0.477 69.300 68.868 -0.075 0.000 1.180 388 T HN 0.083 nan 8.240 nan 0.000 0.566 389 Y N 0.688 120.999 120.300 0.019 0.000 2.470 389 Y HA 0.496 5.056 4.550 0.016 0.000 0.302 389 Y C 1.131 176.987 175.900 -0.073 0.000 1.194 389 Y CA -0.705 57.394 58.100 -0.002 0.000 1.271 389 Y CB -0.709 37.777 38.460 0.043 0.000 1.092 389 Y HN 0.489 nan 8.280 nan 0.000 0.513 390 A N 1.742 124.559 122.820 -0.005 0.000 2.363 390 A HA 0.339 4.669 4.320 0.017 0.000 0.270 390 A C -1.611 175.786 177.584 -0.312 0.000 1.121 390 A CA -1.497 50.371 52.037 -0.282 0.000 0.800 390 A CB 0.235 19.203 19.000 -0.052 0.000 1.052 390 A HN 0.067 nan 8.150 nan 0.000 0.493 391 P HA 0.018 nan 4.420 nan 0.000 0.279 391 P C -0.502 176.695 177.300 -0.173 0.000 1.451 391 P CA 0.671 63.606 63.100 -0.274 0.000 0.783 391 P CB -0.247 31.277 31.700 -0.294 0.000 1.490 392 E N 0.215 120.330 120.200 -0.142 0.000 2.145 392 E HA 0.648 5.008 4.350 0.017 0.000 0.270 392 E C 0.417 176.980 176.600 -0.061 0.000 0.906 392 E CA -0.575 55.777 56.400 -0.081 0.000 0.761 392 E CB 1.610 31.279 29.700 -0.050 0.000 1.116 392 E HN 0.140 nan 8.360 nan 0.000 0.408 393 G N 2.291 111.062 108.800 -0.050 0.000 2.356 393 G HA2 0.222 4.192 3.960 0.017 0.000 0.300 393 G HA3 0.222 4.192 3.960 0.017 0.000 0.300 393 G C -1.707 173.170 174.900 -0.039 0.000 1.331 393 G CA -0.939 44.136 45.100 -0.043 0.000 0.905 393 G HN 0.471 nan 8.290 nan 0.000 0.587 394 E N -1.233 118.948 120.200 -0.032 0.000 2.393 394 E HA 0.650 5.010 4.350 0.017 0.000 0.273 394 E C -1.086 175.502 176.600 -0.019 0.000 0.918 394 E CA -1.117 55.269 56.400 -0.023 0.000 0.773 394 E CB 2.657 32.351 29.700 -0.010 0.000 1.275 394 E HN 0.439 nan 8.360 nan 0.000 0.451 395 V N 2.228 122.134 119.914 -0.014 0.000 2.432 395 V HA 0.273 4.403 4.120 0.017 0.000 0.275 395 V C -0.100 176.028 176.094 0.056 0.000 1.043 395 V CA -0.563 61.740 62.300 0.004 0.000 0.925 395 V CB 0.417 32.211 31.823 -0.048 0.000 0.985 395 V HN 0.476 nan 8.190 nan 0.000 0.466 396 L N 4.892 126.165 121.223 0.082 0.000 2.313 396 L HA 0.625 4.975 4.340 0.017 0.000 0.283 396 L C -0.201 176.748 176.870 0.131 0.000 1.013 396 L CA -0.542 54.350 54.840 0.087 0.000 0.816 396 L CB 1.549 43.629 42.059 0.035 0.000 1.236 396 L HN 0.575 nan 8.230 nan 0.000 0.419 397 K N 2.902 123.373 120.400 0.120 0.000 2.244 397 K HA 0.338 4.668 4.320 0.017 0.000 0.260 397 K C -0.244 176.351 176.600 -0.008 0.000 0.951 397 K CA -0.488 55.790 56.287 -0.016 0.000 0.826 397 K CB 0.878 33.339 32.500 -0.064 0.000 1.108 397 K HN 0.585 nan 8.250 nan 0.000 0.433 398 N N 4.586 123.258 118.700 -0.047 0.000 2.667 398 N HA -0.203 4.547 4.740 0.017 0.000 0.263 398 N C -1.056 174.454 175.510 -0.000 0.000 1.038 398 N CA 0.875 53.912 53.050 -0.022 0.000 0.749 398 N CB -0.725 37.755 38.487 -0.011 0.000 0.892 398 N HN 0.844 nan 8.380 nan 0.000 0.546 399 D N -2.023 118.376 120.400 -0.002 0.000 3.041 399 D HA -0.228 4.422 4.640 0.017 0.000 0.214 399 D C -0.261 176.049 176.300 0.016 0.000 1.153 399 D CA 1.562 55.565 54.000 0.004 0.000 0.972 399 D CB -0.416 40.384 40.800 0.001 0.000 1.126 399 D HN 0.642 nan 8.370 nan 0.000 0.400 400 K N 0.270 120.687 120.400 0.028 0.000 2.244 400 K HA 0.439 4.769 4.320 0.017 0.000 0.260 400 K C -2.596 174.039 176.600 0.057 0.000 0.951 400 K CA -1.806 54.505 56.287 0.040 0.000 0.826 400 K CB 1.876 34.404 32.500 0.046 0.000 1.108 400 K HN -0.163 nan 8.250 nan 0.000 0.433 401 P HA 0.011 nan 4.420 nan 0.000 0.267 401 P C -0.569 176.778 177.300 0.078 0.000 1.209 401 P CA 0.028 63.160 63.100 0.053 0.000 0.763 401 P CB 0.252 31.971 31.700 0.033 0.000 0.816 402 I N 0.275 120.905 120.570 0.099 0.000 3.023 402 I HA 0.637 4.817 4.170 0.017 0.000 0.312 402 I C -0.262 175.910 176.117 0.091 0.000 1.056 402 I CA -1.715 59.669 61.300 0.140 0.000 1.033 402 I CB 2.638 40.797 38.000 0.265 0.000 1.233 402 I HN 0.113 nan 8.210 nan 0.000 0.462 403 R N 2.895 123.458 120.500 0.105 0.000 2.233 403 R HA 0.379 4.729 4.340 0.017 0.000 0.334 403 R C -0.035 176.309 176.300 0.073 0.000 1.037 403 R CA -0.276 55.854 56.100 0.050 0.000 0.920 403 R CB 1.229 31.548 30.300 0.031 0.000 1.137 403 R HN 0.906 nan 8.270 nan 0.000 0.492 404 S N 2.875 118.579 115.700 0.007 0.000 2.400 404 S HA -0.126 4.354 4.470 0.017 0.000 0.232 404 S C 1.807 176.412 174.600 0.009 0.000 1.025 404 S CA 1.454 59.644 58.200 -0.017 0.000 0.993 404 S CB -0.058 63.042 63.200 -0.167 0.000 0.808 404 S HN 0.895 nan 8.310 nan 0.000 0.478 405 G N 0.980 109.735 108.800 -0.075 0.000 2.537 405 G HA2 -0.284 3.686 3.960 0.017 0.000 0.220 405 G HA3 -0.284 3.686 3.960 0.017 0.000 0.220 405 G C 1.150 176.009 174.900 -0.068 0.000 1.111 405 G CA 0.902 45.930 45.100 -0.120 0.000 0.748 405 G HN 0.582 nan 8.290 nan 0.000 0.564 406 Q N -0.690 119.092 119.800 -0.029 0.000 2.167 406 Q HA 0.021 4.371 4.340 0.017 0.000 0.202 406 Q C -0.038 175.753 176.000 -0.350 0.000 0.970 406 Q CA 0.516 56.197 55.803 -0.203 0.000 0.855 406 Q CB -0.080 28.491 28.738 -0.279 0.000 0.911 406 Q HN 0.437 nan 8.270 nan 0.000 0.438 407 F N 1.167 121.086 119.950 -0.051 0.000 2.332 407 F HA 0.218 4.755 4.527 0.017 0.000 0.368 407 F C 0.614 176.373 175.800 -0.069 0.000 1.110 407 F CA -1.022 56.960 58.000 -0.030 0.000 1.087 407 F CB 1.212 40.207 39.000 -0.008 0.000 1.235 407 F HN -0.038 nan 8.300 nan 0.000 0.470 408 D N 2.772 123.219 120.400 0.078 0.000 2.133 408 D HA -0.198 4.452 4.640 0.017 0.000 0.192 408 D C 2.314 178.630 176.300 0.026 0.000 1.001 408 D CA 1.767 55.783 54.000 0.027 0.000 0.844 408 D CB -0.262 40.554 40.800 0.026 0.000 0.944 408 D HN 0.800 nan 8.370 nan 0.000 0.447 409 G N 1.239 110.086 108.800 0.078 0.000 2.513 409 G HA2 -0.261 3.709 3.960 0.017 0.000 0.219 409 G HA3 -0.261 3.709 3.960 0.017 0.000 0.219 409 G C 1.807 176.684 174.900 -0.039 0.000 1.160 409 G CA 0.574 45.702 45.100 0.045 0.000 0.767 409 G HN 0.279 nan 8.290 nan 0.000 0.571 410 L N 0.204 121.394 121.223 -0.056 0.000 2.217 410 L HA -0.032 4.318 4.340 0.017 0.000 0.211 410 L C 2.974 179.731 176.870 -0.188 0.000 1.107 410 L CA 0.144 54.875 54.840 -0.183 0.000 0.783 410 L CB -0.348 41.536 42.059 -0.292 0.000 0.919 410 L HN 0.116 nan 8.230 nan 0.000 0.442 411 V N 0.056 119.873 119.914 -0.162 0.000 2.295 411 V HA -0.312 3.818 4.120 0.017 0.000 0.246 411 V C 2.442 178.416 176.094 -0.200 0.000 1.049 411 V CA 2.100 64.256 62.300 -0.240 0.000 1.024 411 V CB -0.494 31.194 31.823 -0.224 0.000 0.648 411 V HN 0.486 nan 8.190 nan 0.000 0.447 412 E N -0.072 120.042 120.200 -0.142 0.000 2.051 412 E HA -0.233 4.127 4.350 0.017 0.000 0.192 412 E C 2.296 178.765 176.600 -0.219 0.000 0.991 412 E CA 1.315 57.618 56.400 -0.161 0.000 0.799 412 E CB -0.206 29.437 29.700 -0.094 0.000 0.748 412 E HN 0.374 nan 8.360 nan 0.000 0.449 413 L N 1.001 122.106 121.223 -0.197 0.000 2.010 413 L HA -0.256 4.094 4.340 0.017 0.000 0.219 413 L C 2.316 179.057 176.870 -0.216 0.000 1.077 413 L CA 2.552 57.265 54.840 -0.212 0.000 0.773 413 L CB -1.463 40.472 42.059 -0.206 0.000 0.892 413 L HN 0.280 nan 8.230 nan 0.000 0.436 414 A N -1.419 121.272 122.820 -0.215 0.000 1.898 414 A HA -0.188 4.142 4.320 0.017 0.000 0.216 414 A C 2.209 179.674 177.584 -0.199 0.000 1.181 414 A CA 2.118 54.037 52.037 -0.196 0.000 0.620 414 A CB -0.994 17.881 19.000 -0.210 0.000 0.819 414 A HN 0.526 nan 8.150 nan 0.000 0.442 415 T N 0.570 114.980 114.554 -0.240 0.000 2.607 415 T HA -0.182 4.178 4.350 0.017 0.000 0.267 415 T C 1.798 176.228 174.700 -0.450 0.000 1.049 415 T CA 1.819 63.734 62.100 -0.308 0.000 1.162 415 T CB -0.497 68.152 68.868 -0.365 0.000 0.863 415 T HN 0.429 nan 8.240 nan 0.000 0.424 416 I N 0.669 120.925 120.570 -0.523 0.000 2.127 416 I HA -0.241 3.939 4.170 0.017 0.000 0.241 416 I C 2.802 178.797 176.117 -0.204 0.000 1.075 416 I CA 1.049 62.099 61.300 -0.415 0.000 1.334 416 I CB -0.543 37.297 38.000 -0.266 0.000 1.040 416 I HN 0.348 nan 8.210 nan 0.000 0.405 417 C N 0.660 119.857 119.300 -0.171 0.000 2.401 417 C HA -0.218 4.252 4.460 0.017 0.000 0.276 417 C C 3.191 178.129 174.990 -0.088 0.000 1.233 417 C CA 1.024 59.975 59.018 -0.112 0.000 1.753 417 C CB -1.372 26.302 27.740 -0.110 0.000 2.029 417 C HN 0.631 nan 8.230 nan 0.000 0.478 418 A N -0.010 122.750 122.820 -0.101 0.000 1.873 418 A HA -0.073 4.257 4.320 0.017 0.000 0.215 418 A C 2.095 179.652 177.584 -0.044 0.000 1.186 418 A CA 1.510 53.508 52.037 -0.064 0.000 0.616 418 A CB -0.524 18.440 19.000 -0.059 0.000 0.823 418 A HN 0.612 nan 8.150 nan 0.000 0.442 419 L N -1.543 119.642 121.223 -0.063 0.000 2.209 419 L HA -0.003 4.347 4.340 0.017 0.000 0.207 419 L C 1.506 178.400 176.870 0.040 0.000 1.094 419 L CA 0.310 55.153 54.840 0.004 0.000 0.790 419 L CB -0.109 41.973 42.059 0.038 0.000 0.932 419 L HN 0.491 nan 8.230 nan 0.000 0.447 420 C N 2.288 121.603 119.300 0.025 0.000 2.560 420 C HA 0.363 4.833 4.460 0.017 0.000 0.506 420 C C 0.080 175.083 174.990 0.023 0.000 1.116 420 C CA -0.429 58.618 59.018 0.048 0.000 1.425 420 C CB -2.081 25.701 27.740 0.069 0.000 1.543 420 C HN 0.364 nan 8.230 nan 0.000 0.586 421 N N 1.736 120.449 118.700 0.021 0.000 2.578 421 N HA 0.188 4.938 4.740 0.017 0.000 0.282 421 N C -0.771 174.747 175.510 0.014 0.000 1.119 421 N CA -0.126 52.926 53.050 0.004 0.000 0.948 421 N CB 1.389 39.867 38.487 -0.014 0.000 1.546 421 N HN 0.374 nan 8.380 nan 0.000 0.525 422 D N 0.740 121.148 120.400 0.013 0.000 2.358 422 D HA 0.227 4.877 4.640 0.017 0.000 0.224 422 D C -0.243 176.057 176.300 0.001 0.000 1.123 422 D CA 0.471 54.484 54.000 0.022 0.000 0.833 422 D CB 0.496 41.319 40.800 0.038 0.000 0.946 422 D HN 0.285 nan 8.370 nan 0.000 0.505 423 S N -0.869 114.819 115.700 -0.020 0.000 2.715 423 S HA 0.799 5.279 4.470 0.017 0.000 0.307 423 S C -0.040 174.532 174.600 -0.047 0.000 1.119 423 S CA -0.656 57.517 58.200 -0.046 0.000 0.937 423 S CB 2.295 65.452 63.200 -0.072 0.000 1.150 423 S HN 0.207 nan 8.310 nan 0.000 0.521 424 S N -0.320 115.339 115.700 -0.068 0.000 2.724 424 S HA 0.726 5.206 4.470 0.017 0.000 0.278 424 S C -1.917 172.642 174.600 -0.069 0.000 1.190 424 S CA -0.883 57.286 58.200 -0.052 0.000 0.860 424 S CB 0.369 63.550 63.200 -0.030 0.000 1.206 424 S HN 0.512 nan 8.310 nan 0.000 0.507 425 L N 0.733 121.943 121.223 -0.021 0.000 2.354 425 L HA 0.757 5.107 4.340 0.017 0.000 0.269 425 L C -1.505 175.403 176.870 0.063 0.000 1.005 425 L CA -0.541 54.311 54.840 0.020 0.000 0.819 425 L CB 2.034 44.152 42.059 0.098 0.000 1.311 425 L HN 0.833 nan 8.230 nan 0.000 0.423 426 D N 0.729 121.173 120.400 0.074 0.000 2.780 426 D HA 0.336 4.986 4.640 0.017 0.000 0.242 426 D C -1.522 174.825 176.300 0.077 0.000 1.135 426 D CA -0.270 53.768 54.000 0.062 0.000 0.859 426 D CB 1.949 42.737 40.800 -0.020 0.000 1.530 426 D HN 0.167 nan 8.370 nan 0.000 0.493 427 F N 3.682 123.566 119.950 -0.111 0.000 2.405 427 F HA 0.389 4.926 4.527 0.016 0.000 0.355 427 F C 0.075 175.752 175.800 -0.206 0.000 1.121 427 F CA -0.830 56.982 58.000 -0.314 0.000 1.112 427 F CB 0.681 39.372 39.000 -0.514 0.000 1.126 427 F HN 0.187 nan 8.300 nan 0.000 0.481 428 N N 5.478 123.633 118.700 -0.909 0.000 2.405 428 N HA -0.010 4.740 4.740 0.017 0.000 0.260 428 N C 0.884 175.885 175.510 -0.849 0.000 1.152 428 N CA 0.460 53.114 53.050 -0.661 0.000 0.948 428 N CB 0.573 38.785 38.487 -0.460 0.000 1.111 428 N HN 0.830 nan 8.380 nan 0.000 0.485 429 E N 1.197 121.196 120.200 -0.336 0.000 2.077 429 E HA -0.177 4.183 4.350 0.017 0.000 0.193 429 E C 1.441 177.979 176.600 -0.103 0.000 0.989 429 E CA 1.820 58.175 56.400 -0.075 0.000 0.800 429 E CB 0.202 29.932 29.700 0.050 0.000 0.746 429 E HN 0.794 nan 8.360 nan 0.000 0.452 430 T N -0.024 114.454 114.554 -0.126 0.000 2.590 430 T HA -0.135 4.225 4.350 0.017 0.000 0.257 430 T C 1.778 176.409 174.700 -0.116 0.000 1.080 430 T CA 0.935 62.980 62.100 -0.092 0.000 1.180 430 T CB -0.397 68.425 68.868 -0.077 0.000 0.865 430 T HN -0.035 nan 8.240 nan 0.000 0.403 431 K N 1.269 121.575 120.400 -0.156 0.000 2.362 431 K HA 0.075 4.405 4.320 0.017 0.000 0.202 431 K C 1.523 178.014 176.600 -0.182 0.000 1.045 431 K CA 0.640 56.839 56.287 -0.147 0.000 0.936 431 K CB -0.746 31.666 32.500 -0.148 0.000 0.747 431 K HN 0.744 nan 8.250 nan 0.000 0.467 432 G N 1.203 109.815 108.800 -0.314 0.000 2.221 432 G HA2 -0.241 3.729 3.960 0.017 0.000 0.265 432 G HA3 -0.241 3.729 3.960 0.017 0.000 0.265 432 G C -0.080 174.586 174.900 -0.389 0.000 1.041 432 G CA 0.385 45.312 45.100 -0.288 0.000 0.807 432 G HN 0.282 nan 8.290 nan 0.000 0.502 433 V N -3.850 115.638 119.914 -0.710 0.000 2.841 433 V HA 0.735 4.865 4.120 0.017 0.000 0.310 433 V C -0.039 175.829 176.094 -0.377 0.000 1.090 433 V CA -2.455 59.655 62.300 -0.316 0.000 0.930 433 V CB 1.352 33.124 31.823 -0.086 0.000 1.014 433 V HN 0.281 nan 8.190 nan 0.000 0.425 434 Y N 1.936 122.294 120.300 0.097 0.000 2.537 434 Y HA 0.399 4.959 4.550 0.017 0.000 0.339 434 Y C 0.907 176.876 175.900 0.115 0.000 1.066 434 Y CA 0.540 58.746 58.100 0.177 0.000 1.357 434 Y CB 0.326 38.941 38.460 0.258 0.000 1.175 434 Y HN 0.701 nan 8.280 nan 0.000 0.525 435 E N 3.515 123.798 120.200 0.137 0.000 2.207 435 E HA 0.269 4.629 4.350 0.017 0.000 0.270 435 E C -0.668 175.909 176.600 -0.039 0.000 0.927 435 E CA -1.320 55.119 56.400 0.065 0.000 0.799 435 E CB 1.569 31.260 29.700 -0.016 0.000 1.172 435 E HN 0.492 nan 8.360 nan 0.000 0.404 436 K N 0.113 120.407 120.400 -0.178 0.000 2.219 436 K HA 0.389 4.719 4.320 0.017 0.000 0.258 436 K C -0.687 175.814 176.600 -0.165 0.000 1.008 436 K CA -0.505 55.589 56.287 -0.323 0.000 0.928 436 K CB 0.759 32.926 32.500 -0.556 0.000 0.983 436 K HN 0.162 nan 8.250 nan 0.000 0.484 437 V N 1.414 121.235 119.914 -0.154 0.000 2.488 437 V HA 0.505 4.635 4.120 0.017 0.000 0.293 437 V C 0.319 176.356 176.094 -0.096 0.000 1.027 437 V CA 0.081 62.318 62.300 -0.105 0.000 0.862 437 V CB 0.250 32.015 31.823 -0.097 0.000 1.008 437 V HN 1.226 nan 8.190 nan 0.000 0.428 438 G N 4.459 113.215 108.800 -0.073 0.000 2.615 438 G HA2 -0.117 3.853 3.960 0.017 0.000 0.218 438 G HA3 -0.117 3.853 3.960 0.017 0.000 0.218 438 G C -0.529 174.328 174.900 -0.072 0.000 1.339 438 G CA -0.582 44.483 45.100 -0.058 0.000 0.884 438 G HN 0.642 nan 8.290 nan 0.000 0.559 439 E N 0.407 120.569 120.200 -0.064 0.000 2.366 439 E HA 0.483 4.843 4.350 0.017 0.000 0.266 439 E C 1.518 178.072 176.600 -0.077 0.000 1.051 439 E CA 0.275 56.639 56.400 -0.060 0.000 0.884 439 E CB 1.182 30.842 29.700 -0.066 0.000 1.006 439 E HN 1.051 nan 8.360 nan 0.000 0.417 440 A N 3.111 125.911 122.820 -0.035 0.000 1.877 440 A HA -0.188 4.142 4.320 0.017 0.000 0.216 440 A C 2.136 179.745 177.584 0.042 0.000 1.186 440 A CA 2.183 54.235 52.037 0.025 0.000 0.620 440 A CB -0.742 18.345 19.000 0.144 0.000 0.822 440 A HN 0.648 nan 8.150 nan 0.000 0.443 441 T N 0.047 114.604 114.554 0.004 0.000 2.653 441 T HA -0.208 4.152 4.350 0.017 0.000 0.268 441 T C 1.783 176.464 174.700 -0.030 0.000 1.035 441 T CA 1.808 63.899 62.100 -0.014 0.000 1.154 441 T CB -0.330 68.497 68.868 -0.068 0.000 0.862 441 T HN 0.635 nan 8.240 nan 0.000 0.441 442 E N 0.217 120.378 120.200 -0.065 0.000 2.072 442 E HA -0.088 4.272 4.350 0.017 0.000 0.191 442 E C 2.517 179.077 176.600 -0.066 0.000 0.985 442 E CA 1.256 57.614 56.400 -0.069 0.000 0.801 442 E CB -0.178 29.475 29.700 -0.078 0.000 0.750 442 E HN 0.397 nan 8.360 nan 0.000 0.452 443 T N 0.908 115.401 114.554 -0.102 0.000 2.821 443 T HA -0.121 4.239 4.350 0.017 0.000 0.267 443 T C 1.944 176.611 174.700 -0.055 0.000 1.046 443 T CA 1.045 63.044 62.100 -0.168 0.000 1.139 443 T CB -0.166 68.443 68.868 -0.431 0.000 0.871 443 T HN 0.226 nan 8.240 nan 0.000 0.454 444 A N 1.589 124.451 122.820 0.070 0.000 1.917 444 A HA -0.082 4.248 4.320 0.017 0.000 0.219 444 A C 2.124 179.735 177.584 0.045 0.000 1.182 444 A CA 1.318 53.446 52.037 0.152 0.000 0.633 444 A CB -0.819 18.260 19.000 0.133 0.000 0.819 444 A HN 0.346 nan 8.150 nan 0.000 0.448 445 L N -0.202 121.020 121.223 -0.001 0.000 2.042 445 L HA -0.153 4.197 4.340 0.017 0.000 0.210 445 L C 2.733 179.582 176.870 -0.035 0.000 1.076 445 L CA 2.388 57.210 54.840 -0.030 0.000 0.749 445 L CB -1.695 40.338 42.059 -0.044 0.000 0.893 445 L HN 0.381 nan 8.230 nan 0.000 0.432 446 T N -1.135 113.399 114.554 -0.034 0.000 2.652 446 T HA -0.230 4.130 4.350 0.017 0.000 0.267 446 T C 1.886 176.569 174.700 -0.029 0.000 1.039 446 T CA 2.200 64.279 62.100 -0.036 0.000 1.153 446 T CB -0.421 68.421 68.868 -0.044 0.000 0.863 446 T HN 0.616 nan 8.240 nan 0.000 0.428 447 T N 1.342 115.892 114.554 -0.006 0.000 2.867 447 T HA -0.056 4.304 4.350 0.017 0.000 0.268 447 T C 2.019 176.698 174.700 -0.034 0.000 1.057 447 T CA 1.121 63.216 62.100 -0.009 0.000 1.136 447 T CB -0.584 68.319 68.868 0.057 0.000 0.874 447 T HN 0.196 nan 8.240 nan 0.000 0.466 448 L N 2.143 123.348 121.223 -0.030 0.000 1.990 448 L HA -0.040 4.310 4.340 0.017 0.000 0.213 448 L C 2.729 179.555 176.870 -0.073 0.000 1.072 448 L CA 2.411 57.218 54.840 -0.055 0.000 0.755 448 L CB -1.177 40.847 42.059 -0.059 0.000 0.889 448 L HN 0.326 nan 8.230 nan 0.000 0.432 449 V N -1.156 118.716 119.914 -0.070 0.000 2.343 449 V HA -0.211 3.919 4.120 0.017 0.000 0.247 449 V C 2.420 178.472 176.094 -0.070 0.000 1.051 449 V CA 1.969 64.221 62.300 -0.080 0.000 1.036 449 V CB -0.767 31.013 31.823 -0.071 0.000 0.654 449 V HN 0.586 nan 8.190 nan 0.000 0.451 450 E N 0.828 120.993 120.200 -0.059 0.000 2.097 450 E HA -0.247 4.113 4.350 0.017 0.000 0.196 450 E C 2.219 178.779 176.600 -0.066 0.000 1.000 450 E CA 2.024 58.390 56.400 -0.057 0.000 0.804 450 E CB -0.366 29.292 29.700 -0.070 0.000 0.740 450 E HN 0.724 nan 8.360 nan 0.000 0.454 451 K N 0.001 120.356 120.400 -0.074 0.000 2.057 451 K HA -0.002 4.328 4.320 0.017 0.000 0.206 451 K C 2.284 178.838 176.600 -0.077 0.000 1.050 451 K CA 1.198 57.441 56.287 -0.073 0.000 0.935 451 K CB -0.125 32.331 32.500 -0.072 0.000 0.715 451 K HN 0.092 nan 8.250 nan 0.000 0.439 452 M N 0.641 120.184 119.600 -0.096 0.000 2.296 452 M HA -0.090 4.400 4.480 0.017 0.000 0.265 452 M C 0.486 176.719 176.300 -0.111 0.000 1.064 452 M CA 0.414 55.642 55.300 -0.121 0.000 1.109 452 M CB -0.408 32.095 32.600 -0.161 0.000 1.396 452 M HN 0.125 nan 8.290 nan 0.000 0.430 453 N N 1.435 120.081 118.700 -0.089 0.000 2.700 453 N HA -0.139 4.611 4.740 0.017 0.000 0.265 453 N C 0.493 175.940 175.510 -0.104 0.000 0.975 453 N CA 0.640 53.650 53.050 -0.066 0.000 0.800 453 N CB -0.490 37.975 38.487 -0.036 0.000 0.908 453 N HN 0.381 nan 8.380 nan 0.000 0.551 454 V N -2.685 117.100 119.914 -0.216 0.000 2.759 454 V HA -0.055 4.075 4.120 0.017 0.000 0.256 454 V C 1.417 177.213 176.094 -0.498 0.000 1.080 454 V CA 1.390 63.452 62.300 -0.396 0.000 1.101 454 V CB -0.730 30.731 31.823 -0.605 0.000 0.698 454 V HN 0.242 nan 8.190 nan 0.000 0.477 455 F N 1.620 121.551 119.950 -0.032 0.000 2.730 455 F HA 0.486 5.022 4.527 0.016 0.000 0.295 455 F C 1.002 176.790 175.800 -0.021 0.000 1.143 455 F CA -1.106 56.879 58.000 -0.026 0.000 1.367 455 F CB -1.056 37.928 39.000 -0.027 0.000 0.970 455 F HN 0.174 nan 8.300 nan 0.000 0.514 456 N N 0.058 118.801 118.700 0.071 0.000 2.710 456 N HA -0.192 4.558 4.740 0.017 0.000 0.249 456 N C -0.012 175.533 175.510 0.059 0.000 1.059 456 N CA 1.101 54.179 53.050 0.046 0.000 0.720 456 N CB -1.851 36.660 38.487 0.039 0.000 0.983 456 N HN 0.200 nan 8.380 nan 0.000 0.544 457 T N 0.667 115.266 114.554 0.074 0.000 2.926 457 T HA 0.071 4.431 4.350 0.017 0.000 0.307 457 T C 0.862 175.580 174.700 0.029 0.000 1.059 457 T CA -0.127 62.008 62.100 0.058 0.000 1.122 457 T CB 1.322 70.230 68.868 0.067 0.000 0.972 457 T HN 0.146 nan 8.240 nan 0.000 0.545 458 E N 2.133 122.346 120.200 0.021 0.000 2.052 458 E HA 0.269 4.629 4.350 0.017 0.000 0.283 458 E C 0.461 177.065 176.600 0.007 0.000 1.071 458 E CA -0.548 55.859 56.400 0.011 0.000 0.851 458 E CB 0.071 29.776 29.700 0.009 0.000 1.066 458 E HN 0.425 nan 8.360 nan 0.000 0.396 459 V N 2.045 121.961 119.914 0.003 0.000 3.562 459 V HA 0.280 4.410 4.120 0.017 0.000 0.270 459 V C 1.727 177.817 176.094 -0.006 0.000 1.418 459 V CA 0.050 62.349 62.300 -0.001 0.000 1.033 459 V CB -0.082 31.739 31.823 -0.004 0.000 0.820 459 V HN 0.490 nan 8.190 nan 0.000 0.441 460 R N 1.435 121.931 120.500 -0.006 0.000 2.139 460 R HA -0.055 4.295 4.340 0.017 0.000 0.243 460 R C 1.054 177.349 176.300 -0.008 0.000 1.145 460 R CA 1.732 57.827 56.100 -0.008 0.000 0.976 460 R CB -0.282 30.015 30.300 -0.005 0.000 0.866 460 R HN 0.515 nan 8.270 nan 0.000 0.449 461 N N 0.468 119.164 118.700 -0.006 0.000 2.346 461 N HA 0.117 4.867 4.740 0.017 0.000 0.225 461 N C -0.612 174.893 175.510 -0.009 0.000 1.144 461 N CA 0.346 53.392 53.050 -0.007 0.000 0.837 461 N CB 0.331 38.816 38.487 -0.004 0.000 1.069 461 N HN 0.115 nan 8.380 nan 0.000 0.487 462 L N 0.167 121.382 121.223 -0.012 0.000 2.334 462 L HA 0.404 4.754 4.340 0.017 0.000 0.273 462 L C 0.607 177.459 176.870 -0.030 0.000 1.013 462 L CA -0.887 53.944 54.840 -0.015 0.000 0.816 462 L CB 1.610 43.665 42.059 -0.007 0.000 1.278 462 L HN -0.026 nan 8.230 nan 0.000 0.431 463 S N 0.466 116.144 115.700 -0.036 0.000 2.576 463 S HA 0.097 4.577 4.470 0.017 0.000 0.272 463 S C 0.783 175.317 174.600 -0.110 0.000 1.352 463 S CA -0.608 57.549 58.200 -0.071 0.000 1.021 463 S CB 0.786 63.951 63.200 -0.059 0.000 0.887 463 S HN 0.593 nan 8.310 nan 0.000 0.542 464 K N 0.268 120.525 120.400 -0.239 0.000 2.209 464 K HA -0.073 4.257 4.320 0.017 0.000 0.204 464 K C 1.851 178.240 176.600 -0.352 0.000 1.048 464 K CA 1.031 57.065 56.287 -0.421 0.000 0.940 464 K CB -0.522 31.360 32.500 -1.030 0.000 0.729 464 K HN 0.434 nan 8.250 nan 0.000 0.451 465 V N 1.602 121.384 119.914 -0.221 0.000 2.307 465 V HA -0.236 3.894 4.120 0.017 0.000 0.245 465 V C 1.886 178.001 176.094 0.036 0.000 1.045 465 V CA 1.813 64.100 62.300 -0.022 0.000 1.024 465 V CB -0.340 31.496 31.823 0.022 0.000 0.651 465 V HN 0.328 nan 8.190 nan 0.000 0.449 466 E N -0.168 120.039 120.200 0.011 0.000 2.107 466 E HA -0.214 4.146 4.350 0.017 0.000 0.191 466 E C 2.339 178.964 176.600 0.042 0.000 0.982 466 E CA 0.856 57.272 56.400 0.028 0.000 0.809 466 E CB -0.186 29.521 29.700 0.011 0.000 0.756 466 E HN 0.295 nan 8.360 nan 0.000 0.459 467 R N 1.328 121.852 120.500 0.039 0.000 2.159 467 R HA -0.114 4.236 4.340 0.017 0.000 0.237 467 R C 1.902 178.239 176.300 0.062 0.000 1.131 467 R CA 1.317 57.441 56.100 0.040 0.000 0.982 467 R CB -0.518 29.802 30.300 0.033 0.000 0.868 467 R HN 0.176 nan 8.270 nan 0.000 0.453 468 A N 0.260 123.176 122.820 0.161 0.000 1.908 468 A HA -0.143 4.187 4.320 0.017 0.000 0.218 468 A C 1.413 179.043 177.584 0.078 0.000 1.181 468 A CA 1.878 54.031 52.037 0.194 0.000 0.627 468 A CB -0.247 18.944 19.000 0.319 0.000 0.818 468 A HN 0.530 nan 8.150 nan 0.000 0.445 469 N N -1.601 117.137 118.700 0.063 0.000 2.160 469 N HA 0.279 5.029 4.740 0.017 0.000 0.226 469 N C 1.377 176.905 175.510 0.030 0.000 1.256 469 N CA 0.686 53.760 53.050 0.039 0.000 0.890 469 N CB 0.505 39.020 38.487 0.046 0.000 1.116 469 N HN 0.397 nan 8.380 nan 0.000 0.517 470 A N 0.949 123.785 122.820 0.027 0.000 1.859 470 A HA -0.197 4.133 4.320 0.017 0.000 0.217 470 A C 2.422 180.021 177.584 0.025 0.000 1.198 470 A CA 1.473 53.524 52.037 0.024 0.000 0.629 470 A CB -1.013 17.998 19.000 0.018 0.000 0.830 470 A HN 0.411 nan 8.150 nan 0.000 0.446 471 C N -0.330 118.983 119.300 0.022 0.000 2.425 471 C HA -0.097 4.373 4.460 0.017 0.000 0.277 471 C C 2.714 177.730 174.990 0.043 0.000 1.280 471 C CA 1.026 60.066 59.018 0.037 0.000 1.744 471 C CB -1.604 26.144 27.740 0.013 0.000 1.989 471 C HN 0.626 nan 8.230 nan 0.000 0.491 472 N N 1.148 119.861 118.700 0.021 0.000 2.084 472 N HA -0.104 4.646 4.740 0.017 0.000 0.190 472 N C 1.853 177.378 175.510 0.026 0.000 1.030 472 N CA 1.626 54.687 53.050 0.017 0.000 0.849 472 N CB -0.408 38.083 38.487 0.007 0.000 1.012 472 N HN 0.475 nan 8.380 nan 0.000 0.423 473 S N 0.671 116.387 115.700 0.027 0.000 2.399 473 S HA -0.049 4.431 4.470 0.017 0.000 0.231 473 S C 2.270 176.877 174.600 0.012 0.000 1.022 473 S CA 0.543 58.757 58.200 0.023 0.000 0.983 473 S CB -0.237 62.978 63.200 0.025 0.000 0.803 473 S HN 0.090 nan 8.310 nan 0.000 0.480 474 V N 1.857 121.783 119.914 0.019 0.000 2.358 474 V HA -0.130 4.000 4.120 0.017 0.000 0.246 474 V C 2.050 178.129 176.094 -0.024 0.000 1.047 474 V CA 1.456 63.755 62.300 -0.003 0.000 1.035 474 V CB -0.525 31.323 31.823 0.041 0.000 0.658 474 V HN 0.451 nan 8.190 nan 0.000 0.452 475 I N -0.704 119.890 120.570 0.040 0.000 2.252 475 I HA -0.200 3.980 4.170 0.017 0.000 0.245 475 I C 2.715 178.833 176.117 0.003 0.000 1.102 475 I CA 1.333 62.661 61.300 0.047 0.000 1.385 475 I CB -0.396 37.651 38.000 0.079 0.000 1.064 475 I HN 0.175 nan 8.210 nan 0.000 0.414 476 R N 0.464 120.969 120.500 0.008 0.000 2.139 476 R HA -0.244 4.106 4.340 0.017 0.000 0.243 476 R C 2.142 178.439 176.300 -0.004 0.000 1.145 476 R CA 1.437 57.543 56.100 0.010 0.000 0.976 476 R CB -0.310 30.001 30.300 0.018 0.000 0.866 476 R HN 0.506 nan 8.270 nan 0.000 0.449 477 Q N 0.062 119.847 119.800 -0.025 0.000 2.369 477 Q HA -0.067 4.283 4.340 0.017 0.000 0.206 477 Q C 1.860 177.827 176.000 -0.056 0.000 0.963 477 Q CA 0.658 56.436 55.803 -0.041 0.000 0.894 477 Q CB 0.130 28.833 28.738 -0.058 0.000 0.965 477 Q HN 0.312 nan 8.270 nan 0.000 0.475 478 L N -0.670 120.514 121.223 -0.065 0.000 2.446 478 L HA 0.145 4.495 4.340 0.017 0.000 0.219 478 L C -0.134 176.724 176.870 -0.019 0.000 1.116 478 L CA 0.375 55.166 54.840 -0.082 0.000 0.844 478 L CB 0.574 42.553 42.059 -0.134 0.000 0.970 478 L HN 0.107 nan 8.230 nan 0.000 0.457 479 M N 0.236 119.843 119.600 0.012 0.000 2.371 479 M HA 0.263 4.753 4.480 0.017 0.000 0.287 479 M C -1.168 175.155 176.300 0.037 0.000 1.149 479 M CA -0.389 54.938 55.300 0.045 0.000 0.929 479 M CB 2.127 34.802 32.600 0.126 0.000 1.683 479 M HN -0.171 nan 8.290 nan 0.000 0.470 480 K N 2.237 122.654 120.400 0.028 0.000 2.201 480 K HA 0.277 4.607 4.320 0.017 0.000 0.278 480 K C -0.297 176.325 176.600 0.037 0.000 1.027 480 K CA -0.314 55.991 56.287 0.030 0.000 0.909 480 K CB 1.151 33.668 32.500 0.029 0.000 1.062 480 K HN 0.564 nan 8.250 nan 0.000 0.465 481 K N 4.968 125.393 120.400 0.042 0.000 2.206 481 K HA 0.015 4.345 4.320 0.017 0.000 0.268 481 K C 0.396 177.032 176.600 0.061 0.000 1.111 481 K CA -0.212 56.098 56.287 0.038 0.000 0.955 481 K CB 0.617 33.143 32.500 0.042 0.000 1.406 481 K HN 0.625 nan 8.250 nan 0.000 0.427 482 E N 2.352 122.602 120.200 0.083 0.000 2.012 482 E HA -0.142 4.218 4.350 0.017 0.000 0.197 482 E C 0.623 177.381 176.600 0.264 0.000 1.007 482 E CA 1.500 58.014 56.400 0.191 0.000 0.816 482 E CB -0.144 29.749 29.700 0.322 0.000 0.762 482 E HN 0.533 nan 8.360 nan 0.000 0.451 483 F N -1.908 118.068 119.950 0.043 0.000 2.779 483 F HA 0.534 5.069 4.527 0.014 0.000 0.316 483 F C -0.785 175.024 175.800 0.014 0.000 1.164 483 F CA -1.158 56.843 58.000 0.002 0.000 0.924 483 F CB 1.409 40.372 39.000 -0.062 0.000 1.348 483 F HN -0.195 nan 8.300 nan 0.000 0.467 484 T N 0.134 114.787 114.554 0.165 0.000 2.861 484 T HA 0.672 5.032 4.350 0.017 0.000 0.287 484 T C -1.178 173.558 174.700 0.061 0.000 1.003 484 T CA -0.769 61.354 62.100 0.038 0.000 0.977 484 T CB 1.349 70.253 68.868 0.061 0.000 0.996 484 T HN 0.853 nan 8.240 nan 0.000 0.448 485 L N 3.397 124.586 121.223 -0.057 0.000 2.328 485 L HA 0.365 4.715 4.340 0.017 0.000 0.280 485 L C 0.359 177.245 176.870 0.026 0.000 1.111 485 L CA -0.963 53.741 54.840 -0.227 0.000 0.909 485 L CB -0.218 41.573 42.059 -0.447 0.000 1.277 485 L HN 0.747 nan 8.230 nan 0.000 0.433 486 E N 1.735 122.009 120.200 0.124 0.000 2.812 486 E HA -0.187 4.173 4.350 0.017 0.000 0.276 486 E C -0.254 176.498 176.600 0.253 0.000 0.946 486 E CA 0.449 56.972 56.400 0.204 0.000 0.971 486 E CB 0.242 30.074 29.700 0.221 0.000 0.960 486 E HN 0.335 nan 8.360 nan 0.000 0.479 487 F N 2.442 122.463 119.950 0.117 0.000 2.578 487 F HA 0.061 4.601 4.527 0.022 0.000 0.381 487 F C 0.298 176.173 175.800 0.125 0.000 1.069 487 F CA 0.398 58.466 58.000 0.114 0.000 1.231 487 F CB 0.516 39.566 39.000 0.083 0.000 1.086 487 F HN 0.279 nan 8.300 nan 0.000 0.564 488 S N 5.801 121.097 115.700 -0.673 0.000 2.536 488 S HA 0.454 4.934 4.470 0.017 0.000 0.287 488 S C 0.356 174.448 174.600 -0.846 0.000 1.101 488 S CA -0.971 56.867 58.200 -0.603 0.000 0.950 488 S CB 1.694 64.776 63.200 -0.198 0.000 1.056 488 S HN 0.841 nan 8.310 nan 0.000 0.481 489 R N 1.201 121.374 120.500 -0.545 0.000 2.313 489 R HA 0.068 4.418 4.340 0.017 0.000 0.199 489 R C 0.705 176.939 176.300 -0.109 0.000 0.958 489 R CA 0.953 56.876 56.100 -0.294 0.000 1.047 489 R CB -0.122 30.141 30.300 -0.061 0.000 0.955 489 R HN 0.754 nan 8.270 nan 0.000 0.481 490 D N 0.901 121.233 120.400 -0.113 0.000 2.144 490 D HA -0.190 4.460 4.640 0.017 0.000 0.207 490 D C 1.776 178.067 176.300 -0.016 0.000 0.970 490 D CA 0.914 54.892 54.000 -0.036 0.000 0.853 490 D CB -0.436 40.339 40.800 -0.042 0.000 1.007 490 D HN 0.230 nan 8.370 nan 0.000 0.469 491 R N 0.786 121.264 120.500 -0.037 0.000 2.236 491 R HA 0.051 4.401 4.340 0.017 0.000 0.208 491 R C 0.367 176.688 176.300 0.034 0.000 1.036 491 R CA 0.308 56.414 56.100 0.010 0.000 1.001 491 R CB -0.458 29.861 30.300 0.031 0.000 0.896 491 R HN -0.066 nan 8.270 nan 0.000 0.464 492 K N 1.203 121.594 120.400 -0.015 0.000 3.096 492 K HA -0.193 4.137 4.320 0.017 0.000 0.266 492 K C -0.901 175.861 176.600 0.270 0.000 1.043 492 K CA 0.778 57.138 56.287 0.121 0.000 0.758 492 K CB -1.431 31.168 32.500 0.165 0.000 1.260 492 K HN 0.719 nan 8.250 nan 0.000 0.481 493 S N -1.187 114.647 115.700 0.224 0.000 2.661 493 S HA 0.782 5.262 4.470 0.017 0.000 0.268 493 S C -0.952 173.846 174.600 0.330 0.000 1.162 493 S CA -1.056 57.333 58.200 0.315 0.000 0.817 493 S CB 2.531 65.847 63.200 0.193 0.000 1.141 493 S HN 0.318 nan 8.310 nan 0.000 0.477 494 M N 0.865 120.638 119.600 0.288 0.000 2.520 494 M HA 0.745 5.235 4.480 0.017 0.000 0.283 494 M C -1.731 174.659 176.300 0.149 0.000 1.237 494 M CA -0.130 55.315 55.300 0.242 0.000 0.885 494 M CB 2.025 34.800 32.600 0.292 0.000 1.727 494 M HN 0.824 nan 8.290 nan 0.000 0.468 495 S N 1.344 117.104 115.700 0.100 0.000 2.632 495 S HA 0.941 5.421 4.470 0.017 0.000 0.289 495 S C -1.974 172.622 174.600 -0.007 0.000 1.115 495 S CA -0.569 57.659 58.200 0.047 0.000 0.889 495 S CB 2.351 65.566 63.200 0.025 0.000 1.116 495 S HN 0.642 nan 8.310 nan 0.000 0.486 496 V N 2.622 122.502 119.914 -0.057 0.000 2.752 496 V HA 0.378 4.508 4.120 0.017 0.000 0.302 496 V C -1.909 174.029 176.094 -0.260 0.000 1.133 496 V CA -0.575 61.652 62.300 -0.122 0.000 0.919 496 V CB 1.845 33.674 31.823 0.009 0.000 1.026 496 V HN 0.896 nan 8.190 nan 0.000 0.429 497 Y N 5.253 125.166 120.300 -0.645 0.000 2.341 497 Y HA 0.659 5.217 4.550 0.015 0.000 0.340 497 Y C 0.027 175.651 175.900 -0.460 0.000 0.997 497 Y CA -0.196 57.474 58.100 -0.716 0.000 1.149 497 Y CB 1.064 38.706 38.460 -1.363 0.000 1.171 497 Y HN 0.715 nan 8.280 nan 0.000 0.494 498 C N 3.544 122.533 119.300 -0.518 0.000 2.802 498 C HA 0.803 5.273 4.460 0.017 0.000 0.307 498 C C -0.646 174.178 174.990 -0.278 0.000 1.222 498 C CA -0.927 57.937 59.018 -0.258 0.000 1.580 498 C CB 1.198 28.846 27.740 -0.153 0.000 2.119 498 C HN 0.889 nan 8.230 nan 0.000 0.479 499 S N 1.319 116.966 115.700 -0.088 0.000 2.599 499 S HA 0.797 5.277 4.470 0.017 0.000 0.294 499 S C -3.179 171.408 174.600 -0.022 0.000 1.094 499 S CA -1.231 56.934 58.200 -0.059 0.000 0.931 499 S CB 1.554 64.762 63.200 0.013 0.000 1.093 499 S HN 0.601 nan 8.310 nan 0.000 0.488 500 P HA 0.251 nan 4.420 nan 0.000 0.270 500 P C 0.400 177.698 177.300 -0.004 0.000 1.223 500 P CA -0.257 62.840 63.100 -0.006 0.000 0.785 500 P CB 0.620 32.314 31.700 -0.010 0.000 0.923 501 A N 2.465 125.279 122.820 -0.009 0.000 1.911 501 A HA -0.036 4.294 4.320 0.017 0.000 0.212 501 A C 1.818 179.396 177.584 -0.011 0.000 1.189 501 A CA 1.220 53.252 52.037 -0.009 0.000 0.639 501 A CB -0.652 18.335 19.000 -0.021 0.000 0.839 501 A HN 0.373 nan 8.150 nan 0.000 0.449 502 K N -0.216 120.175 120.400 -0.016 0.000 2.459 502 K HA 0.170 4.500 4.320 0.017 0.000 0.193 502 K C 0.775 177.370 176.600 -0.008 0.000 1.030 502 K CA 0.734 57.012 56.287 -0.014 0.000 1.026 502 K CB 0.058 32.546 32.500 -0.019 0.000 0.809 502 K HN 0.288 nan 8.250 nan 0.000 0.504 503 S N -0.523 115.174 115.700 -0.005 0.000 3.476 503 S HA -0.238 4.242 4.470 0.017 0.000 0.309 503 S C 1.125 175.722 174.600 -0.005 0.000 1.222 503 S CA 0.680 58.879 58.200 -0.002 0.000 0.922 503 S CB -1.684 61.517 63.200 0.002 0.000 1.023 503 S HN 0.453 nan 8.310 nan 0.000 0.591 504 S N 0.375 116.070 115.700 -0.009 0.000 2.370 504 S HA -0.029 4.451 4.470 0.017 0.000 0.226 504 S C 0.933 175.528 174.600 -0.008 0.000 1.033 504 S CA 1.029 59.223 58.200 -0.010 0.000 1.011 504 S CB -0.024 63.167 63.200 -0.014 0.000 0.852 504 S HN 0.622 nan 8.310 nan 0.000 0.457 505 R N 0.658 121.153 120.500 -0.007 0.000 2.412 505 R HA 0.493 4.843 4.340 0.017 0.000 0.304 505 R C -1.021 175.276 176.300 -0.004 0.000 1.066 505 R CA -0.290 55.807 56.100 -0.006 0.000 0.923 505 R CB 1.488 31.784 30.300 -0.007 0.000 1.156 505 R HN 0.222 nan 8.270 nan 0.000 0.513 506 A N 2.042 124.861 122.820 -0.002 0.000 2.454 506 A HA 0.467 4.797 4.320 0.017 0.000 0.260 506 A C 0.968 178.552 177.584 0.000 0.000 1.106 506 A CA 0.609 52.647 52.037 0.001 0.000 0.780 506 A CB 0.115 19.118 19.000 0.004 0.000 1.044 506 A HN 1.074 nan 8.150 nan 0.000 0.498 507 A N 1.846 124.666 122.820 -0.001 0.000 2.914 507 A HA -0.118 4.212 4.320 0.017 0.000 0.280 507 A C 0.827 178.406 177.584 -0.008 0.000 1.447 507 A CA 0.677 52.712 52.037 -0.003 0.000 0.759 507 A CB -2.016 16.985 19.000 0.002 0.000 1.034 507 A HN 2.035 nan 8.150 nan 0.000 0.529 508 V N -0.694 119.213 119.914 -0.012 0.000 3.647 508 V HA 0.541 4.671 4.120 0.017 0.000 0.279 508 V C 1.043 177.122 176.094 -0.026 0.000 1.314 508 V CA 1.867 64.158 62.300 -0.015 0.000 1.125 508 V CB 0.129 31.945 31.823 -0.011 0.000 0.907 508 V HN 2.581 nan 8.190 nan 0.000 0.434 509 G N 0.824 109.603 108.800 -0.036 0.000 2.957 509 G HA2 -0.077 3.893 3.960 0.017 0.000 0.636 509 G HA3 -0.077 3.893 3.960 0.017 0.000 0.636 509 G C -1.014 173.822 174.900 -0.106 0.000 1.401 509 G CA -0.639 44.424 45.100 -0.062 0.000 0.941 509 G HN 0.268 nan 8.290 nan 0.000 0.610 510 N N 1.016 119.627 118.700 -0.148 0.000 2.445 510 N HA 0.692 5.442 4.740 0.017 0.000 0.264 510 N C 0.071 175.330 175.510 -0.419 0.000 1.227 510 N CA -0.094 52.772 53.050 -0.306 0.000 0.963 510 N CB 1.047 39.309 38.487 -0.374 0.000 1.188 510 N HN 0.526 nan 8.380 nan 0.000 0.491 511 K N 0.669 120.674 120.400 -0.659 0.000 2.512 511 K HA 0.467 4.797 4.320 0.017 0.000 0.263 511 K C -0.665 175.355 176.600 -0.966 0.000 0.966 511 K CA -0.447 55.397 56.287 -0.737 0.000 0.851 511 K CB 2.142 34.130 32.500 -0.853 0.000 1.395 511 K HN 0.472 nan 8.250 nan 0.000 0.440 512 M N 1.432 120.590 119.600 -0.737 0.000 2.436 512 M HA 0.479 4.969 4.480 0.017 0.000 0.331 512 M C -1.124 174.863 176.300 -0.523 0.000 1.135 512 M CA -0.740 54.206 55.300 -0.591 0.000 0.987 512 M CB 1.097 33.538 32.600 -0.265 0.000 1.687 512 M HN 0.305 nan 8.290 nan 0.000 0.445 513 F N 2.028 121.913 119.950 -0.108 0.000 2.444 513 F HA 0.651 5.187 4.527 0.016 0.000 0.342 513 F C -0.332 175.443 175.800 -0.042 0.000 1.121 513 F CA -1.059 56.897 58.000 -0.072 0.000 0.997 513 F CB 1.340 40.295 39.000 -0.076 0.000 1.130 513 F HN 0.126 nan 8.300 nan 0.000 0.454 514 V N 3.461 123.479 119.914 0.174 0.000 2.680 514 V HA 0.663 4.793 4.120 0.017 0.000 0.309 514 V C -0.613 175.530 176.094 0.081 0.000 1.052 514 V CA -1.112 61.255 62.300 0.111 0.000 0.908 514 V CB 2.206 34.090 31.823 0.101 0.000 1.001 514 V HN 0.746 nan 8.190 nan 0.000 0.431 515 K N 2.354 122.805 120.400 0.084 0.000 2.527 515 K HA 0.906 5.236 4.320 0.017 0.000 0.260 515 K C -0.572 176.090 176.600 0.103 0.000 0.937 515 K CA -0.343 55.979 56.287 0.060 0.000 0.826 515 K CB 2.617 35.132 32.500 0.025 0.000 1.359 515 K HN 1.090 nan 8.250 nan 0.000 0.434 516 G N 0.487 109.345 108.800 0.096 0.000 2.349 516 G HA2 0.497 4.467 3.960 0.017 0.000 0.294 516 G HA3 0.497 4.467 3.960 0.017 0.000 0.294 516 G C -1.563 173.412 174.900 0.125 0.000 1.380 516 G CA -0.576 44.611 45.100 0.146 0.000 0.811 516 G HN 0.746 nan 8.290 nan 0.000 0.519 517 A N 0.238 123.149 122.820 0.153 0.000 2.520 517 A HA 0.586 4.916 4.320 0.017 0.000 0.245 517 A C -1.009 176.643 177.584 0.113 0.000 1.072 517 A CA -0.315 51.798 52.037 0.127 0.000 0.761 517 A CB 0.302 19.385 19.000 0.139 0.000 1.004 517 A HN 0.335 nan 8.150 nan 0.000 0.499 518 P HA -0.174 nan 4.420 nan 0.000 0.220 518 P C 1.264 178.619 177.300 0.092 0.000 1.148 518 P CA 1.470 64.634 63.100 0.107 0.000 0.803 518 P CB 0.249 32.009 31.700 0.100 0.000 0.782 519 E N -0.447 119.799 120.200 0.076 0.000 2.028 519 E HA -0.085 4.275 4.350 0.017 0.000 0.190 519 E C 2.329 178.965 176.600 0.061 0.000 0.984 519 E CA 1.794 58.227 56.400 0.057 0.000 0.800 519 E CB -1.810 27.917 29.700 0.045 0.000 0.758 519 E HN 0.168 nan 8.360 nan 0.000 0.448 520 G N 1.773 110.617 108.800 0.073 0.000 2.440 520 G HA2 -0.219 3.751 3.960 0.017 0.000 0.218 520 G HA3 -0.219 3.751 3.960 0.017 0.000 0.218 520 G C 1.860 176.809 174.900 0.083 0.000 1.154 520 G CA 1.486 46.630 45.100 0.074 0.000 0.767 520 G HN 0.212 nan 8.290 nan 0.000 0.552 521 V N 1.017 120.993 119.914 0.103 0.000 2.343 521 V HA -0.127 4.003 4.120 0.017 0.000 0.247 521 V C 2.779 178.948 176.094 0.125 0.000 1.051 521 V CA 1.554 63.925 62.300 0.119 0.000 1.036 521 V CB -0.341 31.564 31.823 0.137 0.000 0.654 521 V HN 0.391 nan 8.190 nan 0.000 0.451 522 I N 0.066 120.707 120.570 0.119 0.000 2.394 522 I HA -0.203 3.977 4.170 0.017 0.000 0.251 522 I C 2.174 178.315 176.117 0.041 0.000 1.136 522 I CA 1.302 62.655 61.300 0.088 0.000 1.425 522 I CB -0.456 37.559 38.000 0.025 0.000 1.079 522 I HN 0.301 nan 8.210 nan 0.000 0.425 523 D N 1.072 121.495 120.400 0.037 0.000 2.182 523 D HA -0.142 4.508 4.640 0.017 0.000 0.201 523 D C 1.767 178.083 176.300 0.026 0.000 0.986 523 D CA 1.119 55.133 54.000 0.022 0.000 0.847 523 D CB -0.164 40.650 40.800 0.025 0.000 0.942 523 D HN 0.370 nan 8.370 nan 0.000 0.467 524 R N -0.395 120.134 120.500 0.049 0.000 2.391 524 R HA 0.212 4.562 4.340 0.017 0.000 0.249 524 R C -0.193 176.141 176.300 0.056 0.000 0.957 524 R CA -0.151 55.980 56.100 0.050 0.000 1.093 524 R CB 0.031 30.372 30.300 0.068 0.000 1.156 524 R HN 0.049 nan 8.270 nan 0.000 0.526 525 C N 1.545 120.878 119.300 0.055 0.000 2.273 525 C HA 0.291 4.761 4.460 0.017 0.000 0.328 525 C C 1.231 176.198 174.990 -0.039 0.000 1.275 525 C CA -0.896 58.158 59.018 0.060 0.000 1.704 525 C CB 0.653 28.476 27.740 0.138 0.000 2.326 525 C HN 0.496 nan 8.230 nan 0.000 0.517 526 N N 0.917 119.522 118.700 -0.159 0.000 2.392 526 N HA 0.074 4.824 4.740 0.017 0.000 0.177 526 N C -0.347 174.829 175.510 -0.555 0.000 1.066 526 N CA 0.751 53.559 53.050 -0.404 0.000 0.895 526 N CB 0.334 38.446 38.487 -0.625 0.000 0.988 526 N HN 0.671 nan 8.380 nan 0.000 0.457 527 Y N -0.787 119.555 120.300 0.070 0.000 2.659 527 Y HA 0.616 5.178 4.550 0.020 0.000 0.333 527 Y C -0.034 175.938 175.900 0.120 0.000 1.064 527 Y CA -1.076 57.071 58.100 0.078 0.000 1.141 527 Y CB 1.397 39.901 38.460 0.073 0.000 1.316 527 Y HN -0.438 nan 8.280 nan 0.000 0.509 528 V N 1.515 121.622 119.914 0.322 0.000 2.610 528 V HA 0.382 4.512 4.120 0.017 0.000 0.298 528 V C -0.787 175.448 176.094 0.234 0.000 1.067 528 V CA -0.922 61.547 62.300 0.282 0.000 0.894 528 V CB 1.781 33.712 31.823 0.181 0.000 1.015 528 V HN 0.686 nan 8.190 nan 0.000 0.432 529 R N 3.960 124.595 120.500 0.225 0.000 2.438 529 R HA 0.598 4.948 4.340 0.017 0.000 0.287 529 R C -1.081 175.307 176.300 0.147 0.000 1.077 529 R CA -0.048 56.137 56.100 0.143 0.000 1.034 529 R CB 1.181 31.537 30.300 0.094 0.000 0.993 529 R HN 0.480 nan 8.270 nan 0.000 0.459 530 V N 6.094 126.076 119.914 0.113 0.000 2.340 530 V HA 0.406 4.536 4.120 0.017 0.000 0.277 530 V C 1.061 177.213 176.094 0.096 0.000 1.017 530 V CA 0.123 62.491 62.300 0.114 0.000 0.820 530 V CB 0.290 32.174 31.823 0.101 0.000 1.028 530 V HN 1.154 nan 8.190 nan 0.000 0.436 531 G N 4.767 113.631 108.800 0.108 0.000 2.677 531 G HA2 -0.374 3.596 3.960 0.017 0.000 0.321 531 G HA3 -0.374 3.596 3.960 0.017 0.000 0.321 531 G C 0.992 175.928 174.900 0.061 0.000 1.181 531 G CA 1.017 46.172 45.100 0.091 0.000 0.965 531 G HN 0.668 nan 8.290 nan 0.000 0.548 532 T N 1.211 115.792 114.554 0.046 0.000 3.069 532 T HA 0.437 4.797 4.350 0.017 0.000 0.252 532 T C 1.084 175.800 174.700 0.027 0.000 1.053 532 T CA 1.490 63.609 62.100 0.032 0.000 0.964 532 T CB -0.163 68.720 68.868 0.025 0.000 1.005 532 T HN 0.564 nan 8.240 nan 0.000 0.532 533 T N 1.926 116.502 114.554 0.036 0.000 2.874 533 T HA 0.505 4.865 4.350 0.017 0.000 0.281 533 T C -0.263 174.455 174.700 0.030 0.000 0.994 533 T CA -0.555 61.563 62.100 0.029 0.000 1.015 533 T CB 1.165 70.058 68.868 0.041 0.000 1.028 533 T HN 0.067 nan 8.240 nan 0.000 0.523 534 R N 0.873 121.380 120.500 0.010 0.000 2.686 534 R HA 0.706 5.056 4.340 0.017 0.000 0.283 534 R C -1.672 174.649 176.300 0.036 0.000 0.978 534 R CA -0.657 55.446 56.100 0.005 0.000 0.897 534 R CB 1.574 31.807 30.300 -0.111 0.000 1.192 534 R HN 0.541 nan 8.270 nan 0.000 0.457 535 V N 0.178 120.162 119.914 0.116 0.000 3.147 535 V HA 0.651 4.781 4.120 0.017 0.000 0.306 535 V C -2.943 173.307 176.094 0.260 0.000 1.209 535 V CA -2.497 59.893 62.300 0.149 0.000 1.023 535 V CB 2.033 33.920 31.823 0.106 0.000 1.059 535 V HN 0.640 nan 8.190 nan 0.000 0.435 536 P HA 0.313 nan 4.420 nan 0.000 0.271 536 P C -0.301 177.049 177.300 0.083 0.000 1.216 536 P CA -0.184 63.026 63.100 0.184 0.000 0.771 536 P CB 0.365 32.129 31.700 0.106 0.000 0.864 537 M N 3.697 123.306 119.600 0.016 0.000 2.250 537 M HA 0.215 4.705 4.480 0.017 0.000 0.337 537 M C -0.065 176.216 176.300 -0.031 0.000 1.161 537 M CA 1.288 56.577 55.300 -0.019 0.000 1.088 537 M CB -0.335 32.231 32.600 -0.057 0.000 1.639 537 M HN 0.551 nan 8.290 nan 0.000 0.447 538 T N 1.209 115.740 114.554 -0.039 0.000 2.841 538 T HA 0.680 5.040 4.350 0.017 0.000 0.296 538 T C 0.723 175.391 174.700 -0.053 0.000 1.166 538 T CA -0.606 61.472 62.100 -0.036 0.000 1.007 538 T CB 1.033 69.889 68.868 -0.020 0.000 1.253 538 T HN 0.662 nan 8.240 nan 0.000 0.511 539 G N 0.782 109.555 108.800 -0.044 0.000 2.480 539 G HA2 -0.015 3.955 3.960 0.017 0.000 0.216 539 G HA3 -0.015 3.955 3.960 0.017 0.000 0.216 539 G C -0.895 173.967 174.900 -0.064 0.000 1.200 539 G CA 0.977 46.047 45.100 -0.050 0.000 0.782 539 G HN 0.651 nan 8.290 nan 0.000 0.554 540 P HA -0.102 nan 4.420 nan 0.000 0.216 540 P C 2.153 179.388 177.300 -0.110 0.000 1.154 540 P CA 1.102 64.159 63.100 -0.072 0.000 0.865 540 P CB -0.187 31.483 31.700 -0.051 0.000 0.789 541 V N 0.126 119.974 119.914 -0.111 0.000 2.261 541 V HA -0.261 3.869 4.120 0.017 0.000 0.246 541 V C 2.535 178.522 176.094 -0.179 0.000 1.047 541 V CA 1.921 64.134 62.300 -0.145 0.000 1.015 541 V CB -1.010 30.743 31.823 -0.116 0.000 0.642 541 V HN 0.127 nan 8.190 nan 0.000 0.446 542 K N -0.089 120.217 120.400 -0.157 0.000 2.044 542 K HA -0.264 4.066 4.320 0.017 0.000 0.210 542 K C 2.175 178.687 176.600 -0.147 0.000 1.049 542 K CA 2.140 58.329 56.287 -0.164 0.000 0.927 542 K CB -0.183 32.248 32.500 -0.116 0.000 0.713 542 K HN 0.548 nan 8.250 nan 0.000 0.443 543 E N 0.087 120.215 120.200 -0.121 0.000 2.118 543 E HA -0.205 4.155 4.350 0.017 0.000 0.195 543 E C 2.003 178.518 176.600 -0.141 0.000 0.992 543 E CA 0.945 57.279 56.400 -0.110 0.000 0.804 543 E CB 0.092 29.739 29.700 -0.089 0.000 0.741 543 E HN 0.078 nan 8.360 nan 0.000 0.458 544 K N 1.115 121.412 120.400 -0.172 0.000 1.984 544 K HA -0.083 4.247 4.320 0.017 0.000 0.209 544 K C 1.997 178.444 176.600 -0.255 0.000 1.046 544 K CA 1.039 57.193 56.287 -0.221 0.000 0.934 544 K CB -0.558 31.790 32.500 -0.254 0.000 0.717 544 K HN 0.122 nan 8.250 nan 0.000 0.438 545 I N 1.141 121.570 120.570 -0.236 0.000 2.118 545 I HA -0.348 3.832 4.170 0.017 0.000 0.241 545 I C 2.336 178.384 176.117 -0.114 0.000 1.070 545 I CA 1.277 62.473 61.300 -0.175 0.000 1.327 545 I CB -0.267 37.556 38.000 -0.294 0.000 1.034 545 I HN 0.111 nan 8.210 nan 0.000 0.405 546 L N 0.277 121.424 121.223 -0.128 0.000 2.083 546 L HA -0.198 4.152 4.340 0.017 0.000 0.209 546 L C 2.817 179.622 176.870 -0.108 0.000 1.083 546 L CA 1.713 56.500 54.840 -0.088 0.000 0.752 546 L CB -0.681 41.332 42.059 -0.077 0.000 0.899 546 L HN 0.384 nan 8.230 nan 0.000 0.433 547 S N -0.727 114.887 115.700 -0.143 0.000 2.382 547 S HA -0.130 4.350 4.470 0.017 0.000 0.228 547 S C 1.838 176.318 174.600 -0.200 0.000 1.027 547 S CA 1.134 59.247 58.200 -0.145 0.000 0.991 547 S CB -0.803 62.309 63.200 -0.145 0.000 0.823 547 S HN 0.206 nan 8.310 nan 0.000 0.469 548 V N 1.774 121.497 119.914 -0.319 0.000 2.809 548 V HA 0.002 4.132 4.120 0.017 0.000 0.256 548 V C 2.240 177.990 176.094 -0.573 0.000 1.080 548 V CA 1.080 63.061 62.300 -0.532 0.000 1.102 548 V CB -0.826 30.480 31.823 -0.862 0.000 0.705 548 V HN 0.460 nan 8.190 nan 0.000 0.475 549 I N 0.004 120.412 120.570 -0.269 0.000 2.193 549 I HA -0.198 3.982 4.170 0.017 0.000 0.240 549 I C 2.611 178.714 176.117 -0.024 0.000 1.084 549 I CA 1.378 62.615 61.300 -0.104 0.000 1.365 549 I CB -0.304 37.695 38.000 -0.001 0.000 1.064 549 I HN 0.218 nan 8.210 nan 0.000 0.410 550 K N 1.414 121.790 120.400 -0.040 0.000 2.059 550 K HA -0.280 4.050 4.320 0.017 0.000 0.212 550 K C 1.920 178.533 176.600 0.022 0.000 1.050 550 K CA 1.864 58.146 56.287 -0.007 0.000 0.927 550 K CB -0.369 32.113 32.500 -0.031 0.000 0.714 550 K HN 0.311 nan 8.250 nan 0.000 0.447 551 E N -0.960 119.232 120.200 -0.013 0.000 2.035 551 E HA -0.230 4.130 4.350 0.017 0.000 0.204 551 E C 1.718 178.457 176.600 0.233 0.000 1.025 551 E CA 1.863 58.300 56.400 0.062 0.000 0.835 551 E CB -0.269 29.430 29.700 -0.001 0.000 0.764 551 E HN 0.429 nan 8.360 nan 0.000 0.457 552 W N -0.003 121.321 121.300 0.040 0.000 2.363 552 W HA 0.031 4.701 4.660 0.018 0.000 0.296 552 W C 2.364 178.904 176.519 0.036 0.000 1.212 552 W CA 1.049 58.421 57.345 0.046 0.000 1.260 552 W CB -1.294 28.214 29.460 0.080 0.000 1.131 552 W HN 0.286 nan 8.180 nan 0.000 0.530 553 G N -0.587 108.372 108.800 0.265 0.000 2.394 553 G HA2 -0.178 3.792 3.960 0.017 0.000 0.215 553 G HA3 -0.178 3.792 3.960 0.017 0.000 0.215 553 G C 1.386 176.352 174.900 0.110 0.000 1.165 553 G CA 1.608 46.804 45.100 0.160 0.000 0.784 553 G HN 0.226 nan 8.290 nan 0.000 0.535 554 T N 0.843 115.455 114.554 0.097 0.000 3.067 554 T HA 0.254 4.614 4.350 0.017 0.000 0.261 554 T C 1.644 176.382 174.700 0.063 0.000 1.110 554 T CA 0.333 62.471 62.100 0.064 0.000 1.113 554 T CB 0.123 69.016 68.868 0.042 0.000 0.917 554 T HN 0.372 nan 8.240 nan 0.000 0.499 555 G N 0.844 109.698 108.800 0.090 0.000 2.583 555 G HA2 0.137 4.107 3.960 0.017 0.000 0.275 555 G HA3 0.137 4.107 3.960 0.017 0.000 0.275 555 G C 0.709 175.634 174.900 0.041 0.000 1.342 555 G CA -0.618 44.524 45.100 0.071 0.000 1.030 555 G HN 0.234 nan 8.290 nan 0.000 0.520 556 R N -1.028 119.487 120.500 0.024 0.000 2.236 556 R HA 0.016 4.366 4.340 0.017 0.000 0.208 556 R C 1.223 177.520 176.300 -0.006 0.000 1.036 556 R CA 0.677 56.781 56.100 0.007 0.000 1.001 556 R CB 0.176 30.476 30.300 0.000 0.000 0.896 556 R HN 0.419 nan 8.270 nan 0.000 0.464 557 D N -0.163 120.230 120.400 -0.012 0.000 2.333 557 D HA -0.010 4.640 4.640 0.017 0.000 0.208 557 D C -0.010 176.285 176.300 -0.008 0.000 0.984 557 D CA 0.666 54.649 54.000 -0.028 0.000 0.873 557 D CB 0.399 41.159 40.800 -0.067 0.000 0.935 557 D HN -0.018 nan 8.370 nan 0.000 0.521 558 T N 1.109 115.676 114.554 0.021 0.000 3.803 558 T HA -0.206 4.154 4.350 0.017 0.000 0.376 558 T C 0.476 175.203 174.700 0.045 0.000 0.761 558 T CA 0.089 62.212 62.100 0.038 0.000 1.962 558 T CB -1.767 67.113 68.868 0.020 0.000 1.780 558 T HN 0.232 nan 8.240 nan 0.000 0.771 559 L N 0.646 121.912 121.223 0.070 0.000 2.426 559 L HA 0.294 4.644 4.340 0.017 0.000 0.271 559 L C 1.205 178.136 176.870 0.101 0.000 1.169 559 L CA -0.233 54.649 54.840 0.071 0.000 0.836 559 L CB 0.525 42.634 42.059 0.083 0.000 1.112 559 L HN 0.351 nan 8.230 nan 0.000 0.465 560 R N 2.648 123.192 120.500 0.073 0.000 2.202 560 R HA 0.345 4.695 4.340 0.017 0.000 0.334 560 R C -1.196 175.159 176.300 0.093 0.000 1.036 560 R CA -0.469 55.675 56.100 0.073 0.000 0.878 560 R CB 0.590 30.917 30.300 0.045 0.000 1.067 560 R HN 0.632 nan 8.270 nan 0.000 0.457 561 C N 4.717 124.083 119.300 0.111 0.000 2.391 561 C HA 0.614 5.084 4.460 0.017 0.000 0.339 561 C C -0.765 174.276 174.990 0.085 0.000 1.205 561 C CA -0.809 58.285 59.018 0.126 0.000 1.937 561 C CB 1.070 28.911 27.740 0.168 0.000 2.341 561 C HN 0.731 nan 8.230 nan 0.000 0.516 562 L N 2.216 123.480 121.223 0.068 0.000 2.436 562 L HA 0.734 5.084 4.340 0.017 0.000 0.268 562 L C 0.019 176.901 176.870 0.021 0.000 0.974 562 L CA -0.010 54.856 54.840 0.042 0.000 0.826 562 L CB 1.496 43.565 42.059 0.016 0.000 1.291 562 L HN 0.876 nan 8.230 nan 0.000 0.406 563 A N 4.596 127.441 122.820 0.042 0.000 2.295 563 A HA 0.883 5.213 4.320 0.017 0.000 0.318 563 A C -1.281 176.282 177.584 -0.034 0.000 1.134 563 A CA -0.363 51.694 52.037 0.033 0.000 0.827 563 A CB 0.705 19.804 19.000 0.165 0.000 1.136 563 A HN 0.598 nan 8.150 nan 0.000 0.493 564 L N 0.614 121.735 121.223 -0.171 0.000 2.408 564 L HA 0.820 5.170 4.340 0.017 0.000 0.268 564 L C 0.085 176.810 176.870 -0.241 0.000 0.986 564 L CA 0.022 54.758 54.840 -0.172 0.000 0.820 564 L CB 2.189 44.124 42.059 -0.207 0.000 1.303 564 L HN 0.975 nan 8.230 nan 0.000 0.411 565 A N 1.062 123.832 122.820 -0.083 0.000 2.612 565 A HA 0.906 5.236 4.320 0.017 0.000 0.293 565 A C -1.084 176.550 177.584 0.082 0.000 1.075 565 A CA -0.521 51.504 52.037 -0.020 0.000 0.680 565 A CB 1.871 20.908 19.000 0.061 0.000 1.279 565 A HN 0.486 nan 8.150 nan 0.000 0.411 566 T N 0.774 115.395 114.554 0.111 0.000 2.863 566 T HA 0.575 4.935 4.350 0.017 0.000 0.285 566 T C -0.196 174.552 174.700 0.081 0.000 1.009 566 T CA -0.456 61.736 62.100 0.155 0.000 0.989 566 T CB 1.388 70.384 68.868 0.213 0.000 1.004 566 T HN 0.649 nan 8.240 nan 0.000 0.455 567 R N 2.124 122.627 120.500 0.005 0.000 2.204 567 R HA 0.225 4.575 4.340 0.017 0.000 0.341 567 R C 0.058 176.320 176.300 -0.064 0.000 1.035 567 R CA -0.404 55.697 56.100 0.002 0.000 0.887 567 R CB 0.196 30.492 30.300 -0.007 0.000 1.114 567 R HN 0.545 nan 8.270 nan 0.000 0.473 568 D N 1.937 122.329 120.400 -0.014 0.000 2.144 568 D HA -0.075 4.575 4.640 0.017 0.000 0.199 568 D C -0.110 176.145 176.300 -0.074 0.000 0.984 568 D CA 1.482 55.451 54.000 -0.052 0.000 0.834 568 D CB 0.369 41.142 40.800 -0.045 0.000 0.955 568 D HN 0.465 nan 8.370 nan 0.000 0.465 569 T N 2.933 117.466 114.554 -0.036 0.000 3.060 569 T HA 0.371 4.731 4.350 0.017 0.000 0.367 569 T C -2.549 172.145 174.700 -0.009 0.000 1.229 569 T CA -1.493 60.592 62.100 -0.026 0.000 1.104 569 T CB 2.122 70.995 68.868 0.008 0.000 1.083 569 T HN -0.097 nan 8.240 nan 0.000 0.524 570 P HA 0.389 nan 4.420 nan 0.000 0.274 570 P C -2.457 174.893 177.300 0.084 0.000 1.246 570 P CA -1.643 61.464 63.100 0.012 0.000 0.795 570 P CB -0.392 31.262 31.700 -0.077 0.000 1.006 571 P HA 0.046 nan 4.420 nan 0.000 0.270 571 P C -0.230 177.141 177.300 0.119 0.000 1.221 571 P CA 0.250 63.405 63.100 0.092 0.000 0.788 571 P CB 0.296 32.019 31.700 0.040 0.000 0.904 572 K N 1.587 122.024 120.400 0.062 0.000 2.270 572 K HA 0.123 4.453 4.320 0.017 0.000 0.276 572 K C 1.570 178.146 176.600 -0.041 0.000 1.023 572 K CA -0.071 56.244 56.287 0.047 0.000 0.955 572 K CB 0.483 32.998 32.500 0.025 0.000 0.975 572 K HN 0.304 nan 8.250 nan 0.000 0.471 573 R N 1.942 122.379 120.500 -0.105 0.000 2.139 573 R HA -0.217 4.133 4.340 0.017 0.000 0.243 573 R C 1.429 177.605 176.300 -0.206 0.000 1.145 573 R CA 1.666 57.609 56.100 -0.261 0.000 0.976 573 R CB -0.112 30.020 30.300 -0.281 0.000 0.866 573 R HN 0.608 nan 8.270 nan 0.000 0.449 574 E N 0.663 120.791 120.200 -0.120 0.000 2.110 574 E HA -0.189 4.171 4.350 0.017 0.000 0.193 574 E C 1.761 178.319 176.600 -0.070 0.000 0.988 574 E CA 0.919 57.266 56.400 -0.087 0.000 0.804 574 E CB -0.072 29.599 29.700 -0.049 0.000 0.745 574 E HN 0.296 nan 8.360 nan 0.000 0.458 575 E N 0.183 120.348 120.200 -0.058 0.000 2.427 575 E HA -0.064 4.296 4.350 0.017 0.000 0.196 575 E C -0.079 176.495 176.600 -0.043 0.000 1.028 575 E CA 0.198 56.585 56.400 -0.022 0.000 0.864 575 E CB 0.173 29.879 29.700 0.010 0.000 0.813 575 E HN 0.276 nan 8.360 nan 0.000 0.514 576 M N 1.593 121.086 119.600 -0.178 0.000 2.108 576 M HA 0.194 4.684 4.480 0.017 0.000 0.354 576 M C -0.751 175.466 176.300 -0.139 0.000 1.229 576 M CA -0.534 54.551 55.300 -0.357 0.000 1.081 576 M CB 1.938 34.166 32.600 -0.620 0.000 1.606 576 M HN -0.289 nan 8.290 nan 0.000 0.467 577 V N 5.162 125.160 119.914 0.141 0.000 2.328 577 V HA 0.131 4.261 4.120 0.017 0.000 0.278 577 V C 0.653 176.917 176.094 0.283 0.000 1.021 577 V CA -0.499 61.892 62.300 0.151 0.000 0.838 577 V CB 1.127 33.040 31.823 0.150 0.000 0.999 577 V HN 0.775 nan 8.190 nan 0.000 0.447 578 L N 2.927 124.232 121.223 0.138 0.000 2.395 578 L HA 0.049 4.399 4.340 0.017 0.000 0.218 578 L C 1.948 178.991 176.870 0.289 0.000 1.130 578 L CA 1.200 56.187 54.840 0.245 0.000 0.826 578 L CB -0.631 41.402 42.059 -0.044 0.000 0.941 578 L HN 0.610 nan 8.230 nan 0.000 0.451 579 D N -0.824 119.660 120.400 0.140 0.000 2.178 579 D HA -0.132 4.518 4.640 0.017 0.000 0.201 579 D C 0.658 176.974 176.300 0.027 0.000 0.980 579 D CA 0.866 54.910 54.000 0.073 0.000 0.842 579 D CB -0.033 40.786 40.800 0.032 0.000 0.948 579 D HN 0.219 nan 8.370 nan 0.000 0.472 580 D N -0.079 120.322 120.400 0.002 0.000 2.460 580 D HA 0.072 4.722 4.640 0.017 0.000 0.232 580 D C 0.946 176.963 176.300 -0.473 0.000 1.079 580 D CA -0.294 53.618 54.000 -0.147 0.000 0.864 580 D CB 1.249 41.994 40.800 -0.092 0.000 1.048 580 D HN -0.203 nan 8.370 nan 0.000 0.523 581 S N 2.274 117.566 115.700 -0.681 0.000 2.462 581 S HA -0.180 4.300 4.470 0.017 0.000 0.243 581 S C 1.575 175.586 174.600 -0.980 0.000 1.003 581 S CA 1.790 59.183 58.200 -1.345 0.000 0.970 581 S CB -0.060 62.771 63.200 -0.615 0.000 0.762 581 S HN 0.425 nan 8.310 nan 0.000 0.510 582 S N 0.421 115.809 115.700 -0.519 0.000 2.558 582 S HA 0.208 4.688 4.470 0.017 0.000 0.217 582 S C 1.521 175.957 174.600 -0.274 0.000 0.975 582 S CA -0.377 57.636 58.200 -0.313 0.000 0.912 582 S CB -0.276 62.804 63.200 -0.198 0.000 0.776 582 S HN 0.643 nan 8.310 nan 0.000 0.526 583 R N 0.064 120.365 120.500 -0.333 0.000 2.297 583 R HA 0.314 4.664 4.340 0.017 0.000 0.197 583 R C 1.209 177.257 176.300 -0.420 0.000 0.943 583 R CA 0.209 56.075 56.100 -0.390 0.000 1.038 583 R CB -0.404 29.618 30.300 -0.464 0.000 0.957 583 R HN 0.475 nan 8.270 nan 0.000 0.484 584 F N 1.240 121.037 119.950 -0.255 0.000 2.126 584 F HA -0.273 4.265 4.527 0.018 0.000 0.299 584 F C 2.639 178.413 175.800 -0.043 0.000 1.096 584 F CA 0.745 58.718 58.000 -0.046 0.000 1.255 584 F CB -0.219 38.827 39.000 0.076 0.000 0.997 584 F HN 0.043 nan 8.300 nan 0.000 0.479 585 M N 0.691 120.354 119.600 0.105 0.000 2.108 585 M HA -0.257 4.233 4.480 0.017 0.000 0.261 585 M C 2.260 178.588 176.300 0.046 0.000 1.066 585 M CA 1.871 57.214 55.300 0.072 0.000 1.107 585 M CB -0.337 32.280 32.600 0.029 0.000 1.356 585 M HN 0.118 nan 8.290 nan 0.000 0.406 586 E N -0.642 119.529 120.200 -0.049 0.000 2.110 586 E HA -0.218 4.142 4.350 0.017 0.000 0.193 586 E C 1.706 178.380 176.600 0.124 0.000 0.988 586 E CA 1.380 57.774 56.400 -0.010 0.000 0.804 586 E CB -0.206 29.448 29.700 -0.077 0.000 0.745 586 E HN 0.634 nan 8.360 nan 0.000 0.458 587 Y N 1.115 121.496 120.300 0.135 0.000 2.241 587 Y HA -0.106 4.461 4.550 0.028 0.000 0.286 587 Y C 0.974 176.939 175.900 0.107 0.000 1.166 587 Y CA 0.898 59.077 58.100 0.132 0.000 1.203 587 Y CB -0.350 38.207 38.460 0.161 0.000 0.977 587 Y HN 0.082 nan 8.280 nan 0.000 0.529 588 E N 0.829 121.176 120.200 0.245 0.000 2.232 588 E HA 0.191 4.551 4.350 0.017 0.000 0.296 588 E C 0.007 176.684 176.600 0.129 0.000 1.372 588 E CA -0.116 56.384 56.400 0.166 0.000 1.527 588 E CB -0.123 29.669 29.700 0.153 0.000 1.424 588 E HN 0.273 nan 8.360 nan 0.000 0.485 589 T N -2.965 111.665 114.554 0.127 0.000 2.841 589 T HA 0.282 4.642 4.350 0.017 0.000 0.296 589 T C -0.080 174.679 174.700 0.098 0.000 1.166 589 T CA -0.932 61.227 62.100 0.098 0.000 1.007 589 T CB 1.520 70.438 68.868 0.083 0.000 1.253 589 T HN 0.027 nan 8.240 nan 0.000 0.511 590 D N -0.019 120.425 120.400 0.074 0.000 2.699 590 D HA -0.123 4.527 4.640 0.017 0.000 0.239 590 D C -0.409 175.977 176.300 0.143 0.000 1.136 590 D CA 0.481 54.529 54.000 0.081 0.000 0.668 590 D CB -1.428 39.439 40.800 0.112 0.000 1.060 590 D HN 0.646 nan 8.370 nan 0.000 0.429 591 L N -0.307 120.989 121.223 0.123 0.000 2.439 591 L HA 0.416 4.766 4.340 0.017 0.000 0.261 591 L C 1.154 178.163 176.870 0.232 0.000 1.153 591 L CA -0.331 54.604 54.840 0.158 0.000 0.808 591 L CB 1.230 43.370 42.059 0.134 0.000 1.126 591 L HN -0.045 nan 8.230 nan 0.000 0.460 592 T N 1.652 116.345 114.554 0.233 0.000 2.771 592 T HA 0.290 4.650 4.350 0.017 0.000 0.281 592 T C -0.488 174.342 174.700 0.217 0.000 0.982 592 T CA -0.272 61.986 62.100 0.263 0.000 0.978 592 T CB 0.624 69.613 68.868 0.202 0.000 0.930 592 T HN 0.249 nan 8.240 nan 0.000 0.447 593 F N 4.380 124.394 119.950 0.107 0.000 2.456 593 F HA 0.327 4.862 4.527 0.015 0.000 0.358 593 F C 0.784 176.623 175.800 0.065 0.000 1.095 593 F CA -0.048 57.995 58.000 0.072 0.000 1.216 593 F CB 0.548 39.586 39.000 0.063 0.000 1.125 593 F HN 0.345 nan 8.300 nan 0.000 0.549 594 V N 4.779 124.281 119.914 -0.686 0.000 2.627 594 V HA 0.477 4.607 4.120 0.017 0.000 0.239 594 V C 1.083 176.669 176.094 -0.847 0.000 1.077 594 V CA 0.817 62.805 62.300 -0.520 0.000 1.103 594 V CB -0.155 31.481 31.823 -0.312 0.000 0.802 594 V HN 1.030 nan 8.190 nan 0.000 0.482 595 G N -0.988 107.020 108.800 -1.321 0.000 2.428 595 G HA2 0.512 4.482 3.960 0.017 0.000 0.304 595 G HA3 0.512 4.482 3.960 0.017 0.000 0.304 595 G C -2.204 172.307 174.900 -0.648 0.000 1.303 595 G CA -0.139 44.446 45.100 -0.858 0.000 0.825 595 G HN 0.005 nan 8.290 nan 0.000 0.484 596 V N -0.088 119.460 119.914 -0.609 0.000 2.841 596 V HA 0.738 4.868 4.120 0.017 0.000 0.310 596 V C -0.125 175.846 176.094 -0.205 0.000 1.090 596 V CA -0.636 61.404 62.300 -0.434 0.000 0.930 596 V CB 1.784 33.189 31.823 -0.697 0.000 1.014 596 V HN 1.394 nan 8.190 nan 0.000 0.425 597 V N 0.824 120.717 119.914 -0.036 0.000 2.555 597 V HA 1.033 5.163 4.120 0.017 0.000 0.302 597 V C 0.202 176.390 176.094 0.156 0.000 1.038 597 V CA -0.403 61.935 62.300 0.062 0.000 0.887 597 V CB 1.547 33.366 31.823 -0.007 0.000 0.991 597 V HN 1.006 nan 8.190 nan 0.000 0.434 598 G N 4.145 113.050 108.800 0.175 0.000 2.470 598 G HA2 0.676 4.646 3.960 0.017 0.000 0.320 598 G HA3 0.676 4.646 3.960 0.017 0.000 0.320 598 G C -0.909 173.990 174.900 -0.002 0.000 1.245 598 G CA -0.874 44.313 45.100 0.145 0.000 0.935 598 G HN 0.726 nan 8.290 nan 0.000 0.476 599 M N 1.712 121.323 119.600 0.018 0.000 2.436 599 M HA 0.384 4.874 4.480 0.017 0.000 0.331 599 M C -0.902 175.384 176.300 -0.023 0.000 1.135 599 M CA -0.886 54.408 55.300 -0.011 0.000 0.987 599 M CB 2.493 35.099 32.600 0.010 0.000 1.687 599 M HN 0.359 nan 8.290 nan 0.000 0.445 600 L N 3.005 124.200 121.223 -0.047 0.000 2.292 600 L HA 0.438 4.788 4.340 0.017 0.000 0.284 600 L C -0.930 175.914 176.870 -0.044 0.000 1.065 600 L CA 0.481 55.290 54.840 -0.053 0.000 0.806 600 L CB 0.868 42.882 42.059 -0.076 0.000 1.175 600 L HN 0.635 nan 8.230 nan 0.000 0.431 601 D N 5.549 125.929 120.400 -0.033 0.000 2.411 601 D HA 0.351 5.001 4.640 0.017 0.000 0.239 601 D C -2.815 173.468 176.300 -0.028 0.000 1.307 601 D CA -1.228 52.756 54.000 -0.027 0.000 0.930 601 D CB 1.199 41.995 40.800 -0.006 0.000 1.395 601 D HN 0.165 nan 8.370 nan 0.000 0.536 602 P HA 0.278 nan 4.420 nan 0.000 0.271 602 P C -2.575 174.702 177.300 -0.039 0.000 1.216 602 P CA -1.174 61.903 63.100 -0.039 0.000 0.771 602 P CB 0.228 31.902 31.700 -0.043 0.000 0.864 603 P HA 0.119 nan 4.420 nan 0.000 0.268 603 P C 0.021 177.285 177.300 -0.060 0.000 1.205 603 P CA 0.055 63.117 63.100 -0.063 0.000 0.771 603 P CB 0.514 32.169 31.700 -0.074 0.000 0.858 604 R N 2.293 122.752 120.500 -0.068 0.000 2.679 604 R HA 0.014 4.364 4.340 0.017 0.000 0.268 604 R C 1.552 177.821 176.300 -0.052 0.000 1.044 604 R CA 0.132 56.202 56.100 -0.049 0.000 1.105 604 R CB 0.239 30.515 30.300 -0.040 0.000 0.989 604 R HN 0.495 nan 8.270 nan 0.000 0.447 605 K N 2.018 122.401 120.400 -0.028 0.000 2.044 605 K HA -0.202 4.128 4.320 0.017 0.000 0.210 605 K C 1.700 178.286 176.600 -0.022 0.000 1.049 605 K CA 1.870 58.144 56.287 -0.023 0.000 0.927 605 K CB 0.075 32.569 32.500 -0.010 0.000 0.713 605 K HN 0.644 nan 8.250 nan 0.000 0.443 606 E N 0.888 121.084 120.200 -0.006 0.000 2.427 606 E HA -0.075 4.285 4.350 0.017 0.000 0.196 606 E C 1.891 178.495 176.600 0.007 0.000 1.028 606 E CA 0.564 56.977 56.400 0.022 0.000 0.864 606 E CB -0.209 29.532 29.700 0.067 0.000 0.813 606 E HN 0.042 nan 8.360 nan 0.000 0.514 607 V N 2.084 121.949 119.914 -0.081 0.000 2.244 607 V HA -0.273 3.857 4.120 0.017 0.000 0.244 607 V C 2.730 178.739 176.094 -0.142 0.000 1.042 607 V CA 2.171 64.335 62.300 -0.227 0.000 1.006 607 V CB -0.621 30.965 31.823 -0.394 0.000 0.641 607 V HN 0.251 nan 8.190 nan 0.000 0.446 608 M N 0.386 119.921 119.600 -0.108 0.000 2.108 608 M HA -0.201 4.289 4.480 0.017 0.000 0.257 608 M C 2.011 178.293 176.300 -0.031 0.000 1.071 608 M CA 2.547 57.803 55.300 -0.072 0.000 1.093 608 M CB -0.758 31.810 32.600 -0.054 0.000 1.345 608 M HN 0.425 nan 8.290 nan 0.000 0.403 609 G N -0.696 108.098 108.800 -0.011 0.000 2.514 609 G HA2 -0.258 3.712 3.960 0.017 0.000 0.217 609 G HA3 -0.258 3.712 3.960 0.017 0.000 0.217 609 G C 1.373 176.295 174.900 0.036 0.000 1.198 609 G CA 1.264 46.371 45.100 0.013 0.000 0.780 609 G HN 0.571 nan 8.290 nan 0.000 0.565 610 S N 0.686 116.433 115.700 0.078 0.000 2.370 610 S HA -0.094 4.386 4.470 0.017 0.000 0.226 610 S C 2.285 176.958 174.600 0.121 0.000 1.033 610 S CA 1.141 59.427 58.200 0.143 0.000 1.011 610 S CB -0.238 63.172 63.200 0.351 0.000 0.852 610 S HN 0.362 nan 8.310 nan 0.000 0.457 611 I N 1.412 122.033 120.570 0.084 0.000 2.163 611 I HA -0.188 3.992 4.170 0.017 0.000 0.243 611 I C 2.822 178.953 176.117 0.022 0.000 1.085 611 I CA 1.242 62.569 61.300 0.046 0.000 1.347 611 I CB -0.845 37.142 38.000 -0.022 0.000 1.044 611 I HN 0.300 nan 8.210 nan 0.000 0.408 612 Q N 0.764 120.570 119.800 0.011 0.000 2.077 612 Q HA -0.211 4.139 4.340 0.017 0.000 0.206 612 Q C 2.268 178.275 176.000 0.012 0.000 0.989 612 Q CA 1.737 57.544 55.803 0.007 0.000 0.853 612 Q CB -0.527 28.213 28.738 0.004 0.000 0.907 612 Q HN 0.357 nan 8.270 nan 0.000 0.418 613 L N -0.280 120.955 121.223 0.021 0.000 2.042 613 L HA -0.217 4.133 4.340 0.017 0.000 0.210 613 L C 2.635 179.514 176.870 0.015 0.000 1.076 613 L CA 1.401 56.251 54.840 0.018 0.000 0.749 613 L CB -1.338 40.735 42.059 0.023 0.000 0.893 613 L HN 0.258 nan 8.230 nan 0.000 0.432 614 C N -1.146 118.170 119.300 0.026 0.000 2.413 614 C HA -0.169 4.301 4.460 0.017 0.000 0.276 614 C C 2.834 177.829 174.990 0.008 0.000 1.248 614 C CA 0.412 59.441 59.018 0.019 0.000 1.742 614 C CB -0.949 26.813 27.740 0.037 0.000 2.017 614 C HN 0.471 nan 8.230 nan 0.000 0.481 615 R N 1.038 121.542 120.500 0.007 0.000 2.094 615 R HA -0.150 4.200 4.340 0.017 0.000 0.239 615 R C 1.764 178.062 176.300 -0.002 0.000 1.137 615 R CA 2.025 58.125 56.100 0.001 0.000 0.943 615 R CB -0.426 29.874 30.300 -0.000 0.000 0.850 615 R HN 0.571 nan 8.270 nan 0.000 0.433 616 D N 0.264 120.663 120.400 -0.002 0.000 2.144 616 D HA -0.109 4.541 4.640 0.017 0.000 0.200 616 D C 1.412 177.707 176.300 -0.008 0.000 0.978 616 D CA 1.371 55.368 54.000 -0.005 0.000 0.833 616 D CB -0.208 40.590 40.800 -0.003 0.000 0.961 616 D HN 0.268 nan 8.370 nan 0.000 0.470 617 A N -0.015 122.801 122.820 -0.007 0.000 2.252 617 A HA 0.386 4.716 4.320 0.017 0.000 0.207 617 A C 1.651 179.227 177.584 -0.015 0.000 1.194 617 A CA 0.904 52.934 52.037 -0.012 0.000 0.809 617 A CB -0.577 18.417 19.000 -0.011 0.000 0.814 617 A HN 0.252 nan 8.150 nan 0.000 0.482 618 G N -0.824 107.968 108.800 -0.013 0.000 2.176 618 G HA2 -0.228 3.742 3.960 0.017 0.000 0.252 618 G HA3 -0.228 3.742 3.960 0.017 0.000 0.252 618 G C -0.044 174.849 174.900 -0.013 0.000 1.024 618 G CA 0.468 45.559 45.100 -0.015 0.000 0.755 618 G HN 0.516 nan 8.290 nan 0.000 0.507 619 I N -0.340 120.225 120.570 -0.007 0.000 2.441 619 I HA 0.474 4.654 4.170 0.017 0.000 0.295 619 I C 0.773 176.892 176.117 0.004 0.000 0.994 619 I CA -0.994 60.304 61.300 -0.003 0.000 1.144 619 I CB 1.646 39.644 38.000 -0.003 0.000 1.314 619 I HN 0.018 nan 8.210 nan 0.000 0.445 620 R N 3.840 124.343 120.500 0.006 0.000 2.457 620 R HA 0.687 5.037 4.340 0.017 0.000 0.284 620 R C -1.237 175.077 176.300 0.023 0.000 1.024 620 R CA -0.537 55.570 56.100 0.011 0.000 1.025 620 R CB 1.752 32.060 30.300 0.013 0.000 1.063 620 R HN 0.360 nan 8.270 nan 0.000 0.493 621 V N 5.397 125.320 119.914 0.016 0.000 2.443 621 V HA 0.410 4.540 4.120 0.017 0.000 0.293 621 V C -0.370 175.727 176.094 0.006 0.000 1.021 621 V CA -0.601 61.715 62.300 0.027 0.000 0.848 621 V CB 1.660 33.502 31.823 0.032 0.000 0.998 621 V HN 0.619 nan 8.190 nan 0.000 0.424 622 I N 5.004 125.600 120.570 0.044 0.000 2.404 622 I HA 0.492 4.672 4.170 0.017 0.000 0.293 622 I C -0.016 176.144 176.117 0.071 0.000 0.992 622 I CA -0.474 60.871 61.300 0.075 0.000 1.149 622 I CB 1.897 39.983 38.000 0.144 0.000 1.315 622 I HN 0.581 nan 8.210 nan 0.000 0.446 623 M N 7.434 127.067 119.600 0.056 0.000 2.180 623 M HA 0.533 5.023 4.480 0.017 0.000 0.358 623 M C -1.412 174.973 176.300 0.142 0.000 1.233 623 M CA 0.057 55.392 55.300 0.058 0.000 1.114 623 M CB 0.683 33.283 32.600 -0.000 0.000 1.594 623 M HN 0.495 nan 8.290 nan 0.000 0.467 624 I N 4.329 124.965 120.570 0.109 0.000 2.468 624 I HA 0.350 4.530 4.170 0.017 0.000 0.284 624 I C -0.633 175.537 176.117 0.089 0.000 1.038 624 I CA -0.411 60.960 61.300 0.118 0.000 1.083 624 I CB 2.078 40.107 38.000 0.049 0.000 1.223 624 I HN 0.657 nan 8.210 nan 0.000 0.443 625 T N 2.568 117.180 114.554 0.098 0.000 2.916 625 T HA 0.451 4.811 4.350 0.017 0.000 0.305 625 T C 0.969 175.722 174.700 0.089 0.000 1.119 625 T CA -0.151 61.999 62.100 0.084 0.000 1.008 625 T CB 1.808 70.719 68.868 0.071 0.000 1.129 625 T HN 0.695 nan 8.240 nan 0.000 0.480 626 G N 1.982 110.841 108.800 0.097 0.000 2.534 626 G HA2 0.032 4.002 3.960 0.017 0.000 0.217 626 G HA3 0.032 4.002 3.960 0.017 0.000 0.217 626 G C 0.563 175.527 174.900 0.105 0.000 1.128 626 G CA 0.139 45.307 45.100 0.112 0.000 0.784 626 G HN 0.709 nan 8.290 nan 0.000 0.542 627 D N 0.208 120.662 120.400 0.089 0.000 2.363 627 D HA -0.016 4.634 4.640 0.017 0.000 0.240 627 D C 0.613 176.958 176.300 0.074 0.000 1.236 627 D CA -0.506 53.542 54.000 0.080 0.000 0.927 627 D CB 0.244 41.084 40.800 0.066 0.000 1.150 627 D HN 0.071 nan 8.370 nan 0.000 0.458 628 N N 1.334 120.076 118.700 0.071 0.000 2.345 628 N HA -0.135 4.615 4.740 0.017 0.000 0.243 628 N C 0.838 176.379 175.510 0.052 0.000 1.246 628 N CA 0.282 53.369 53.050 0.062 0.000 0.863 628 N CB 0.584 39.109 38.487 0.064 0.000 1.096 628 N HN 0.349 nan 8.380 nan 0.000 0.446 629 K N 2.659 123.083 120.400 0.040 0.000 2.097 629 K HA -0.086 4.244 4.320 0.017 0.000 0.205 629 K C 1.824 178.436 176.600 0.020 0.000 1.050 629 K CA 1.343 57.645 56.287 0.024 0.000 0.938 629 K CB -0.470 32.032 32.500 0.003 0.000 0.718 629 K HN 0.740 nan 8.250 nan 0.000 0.442 630 G N 0.332 109.145 108.800 0.022 0.000 2.586 630 G HA2 -0.373 3.597 3.960 0.017 0.000 0.218 630 G HA3 -0.373 3.597 3.960 0.017 0.000 0.218 630 G C 1.557 176.480 174.900 0.039 0.000 1.216 630 G CA 1.942 47.056 45.100 0.024 0.000 0.786 630 G HN 0.534 nan 8.290 nan 0.000 0.583 631 T N -1.155 113.430 114.554 0.050 0.000 2.904 631 T HA 0.329 4.689 4.350 0.017 0.000 0.267 631 T C 2.525 177.255 174.700 0.049 0.000 1.059 631 T CA 1.643 63.776 62.100 0.055 0.000 1.137 631 T CB -0.246 68.660 68.868 0.063 0.000 0.879 631 T HN 0.405 nan 8.240 nan 0.000 0.467 632 A N 1.590 124.440 122.820 0.051 0.000 1.898 632 A HA 0.163 4.493 4.320 0.017 0.000 0.216 632 A C 2.381 180.009 177.584 0.073 0.000 1.181 632 A CA 1.283 53.352 52.037 0.053 0.000 0.620 632 A CB -0.780 18.254 19.000 0.057 0.000 0.819 632 A HN 0.586 nan 8.150 nan 0.000 0.442 633 I N -0.292 120.331 120.570 0.089 0.000 2.202 633 I HA -0.270 3.910 4.170 0.017 0.000 0.242 633 I C 3.027 179.220 176.117 0.126 0.000 1.091 633 I CA 0.990 62.380 61.300 0.149 0.000 1.368 633 I CB -0.462 37.577 38.000 0.066 0.000 1.058 633 I HN 0.362 nan 8.210 nan 0.000 0.410 634 A N 1.238 124.100 122.820 0.070 0.000 1.903 634 A HA -0.243 4.087 4.320 0.017 0.000 0.219 634 A C 2.284 179.897 177.584 0.049 0.000 1.191 634 A CA 1.927 53.997 52.037 0.054 0.000 0.638 634 A CB -0.969 18.057 19.000 0.043 0.000 0.823 634 A HN 0.427 nan 8.150 nan 0.000 0.451 635 I N -0.960 119.633 120.570 0.037 0.000 2.202 635 I HA -0.285 3.895 4.170 0.017 0.000 0.242 635 I C 2.560 178.670 176.117 -0.011 0.000 1.091 635 I CA 0.977 62.282 61.300 0.007 0.000 1.368 635 I CB -0.571 37.426 38.000 -0.004 0.000 1.058 635 I HN 0.401 nan 8.210 nan 0.000 0.410 636 C N 0.932 120.229 119.300 -0.004 0.000 2.375 636 C HA -0.231 4.239 4.460 0.017 0.000 0.274 636 C C 2.951 177.927 174.990 -0.023 0.000 1.190 636 C CA 1.186 60.157 59.018 -0.078 0.000 1.775 636 C CB -1.341 26.314 27.740 -0.141 0.000 2.067 636 C HN 0.434 nan 8.230 nan 0.000 0.463 637 R N 0.197 120.752 120.500 0.091 0.000 2.080 637 R HA -0.134 4.216 4.340 0.017 0.000 0.236 637 R C 2.401 178.713 176.300 0.021 0.000 1.137 637 R CA 1.501 57.652 56.100 0.085 0.000 0.943 637 R CB -0.416 29.938 30.300 0.090 0.000 0.846 637 R HN 0.576 nan 8.270 nan 0.000 0.431 638 R N 0.272 120.776 120.500 0.006 0.000 2.200 638 R HA -0.085 4.265 4.340 0.017 0.000 0.234 638 R C 2.001 178.279 176.300 -0.037 0.000 1.127 638 R CA 1.074 57.166 56.100 -0.014 0.000 0.989 638 R CB -0.155 30.136 30.300 -0.016 0.000 0.869 638 R HN 0.325 nan 8.270 nan 0.000 0.459 639 I N -1.379 119.157 120.570 -0.057 0.000 3.462 639 I HA 0.086 4.266 4.170 0.017 0.000 0.290 639 I C 1.194 177.261 176.117 -0.083 0.000 1.236 639 I CA 0.554 61.800 61.300 -0.090 0.000 1.418 639 I CB 0.510 38.430 38.000 -0.134 0.000 1.102 639 I HN 0.373 nan 8.210 nan 0.000 0.441 640 G N 0.984 109.745 108.800 -0.064 0.000 2.144 640 G HA2 -0.228 3.742 3.960 0.017 0.000 0.218 640 G HA3 -0.228 3.742 3.960 0.017 0.000 0.218 640 G C 0.831 175.680 174.900 -0.086 0.000 0.988 640 G CA 0.109 45.178 45.100 -0.050 0.000 0.659 640 G HN 0.290 nan 8.290 nan 0.000 0.522 641 I N -0.701 119.765 120.570 -0.175 0.000 2.252 641 I HA 0.110 4.290 4.170 0.017 0.000 0.245 641 I C 1.180 177.090 176.117 -0.345 0.000 1.102 641 I CA 1.321 62.418 61.300 -0.339 0.000 1.385 641 I CB -0.144 37.519 38.000 -0.562 0.000 1.064 641 I HN 0.202 nan 8.210 nan 0.000 0.414 642 F N -0.034 119.901 119.950 -0.025 0.000 2.508 642 F HA 0.509 5.045 4.527 0.015 0.000 0.325 642 F C 0.904 176.689 175.800 -0.025 0.000 1.090 642 F CA -1.103 56.881 58.000 -0.027 0.000 0.945 642 F CB 1.441 40.419 39.000 -0.036 0.000 1.156 642 F HN -0.172 nan 8.300 nan 0.000 0.463 643 G N 1.071 109.980 108.800 0.181 0.000 2.527 643 G HA2 0.112 4.082 3.960 0.017 0.000 0.248 643 G HA3 0.112 4.082 3.960 0.017 0.000 0.248 643 G C 0.465 175.409 174.900 0.073 0.000 1.231 643 G CA -0.392 44.760 45.100 0.088 0.000 0.838 643 G HN 0.875 nan 8.290 nan 0.000 0.570 644 E N 0.312 120.537 120.200 0.042 0.000 2.333 644 E HA -0.112 4.248 4.350 0.017 0.000 0.200 644 E C 0.073 176.678 176.600 0.009 0.000 1.010 644 E CA 0.855 57.271 56.400 0.027 0.000 0.841 644 E CB -0.039 29.670 29.700 0.015 0.000 0.757 644 E HN 0.495 nan 8.360 nan 0.000 0.508 645 N N 1.069 119.769 118.700 0.000 0.000 2.533 645 N HA 0.233 4.983 4.740 0.017 0.000 0.289 645 N C -1.246 174.244 175.510 -0.034 0.000 1.103 645 N CA -0.170 52.866 53.050 -0.022 0.000 0.877 645 N CB 1.678 40.153 38.487 -0.021 0.000 1.419 645 N HN -0.033 nan 8.380 nan 0.000 0.517 646 E N 1.146 121.303 120.200 -0.072 0.000 2.343 646 E HA 0.098 4.458 4.350 0.017 0.000 0.286 646 E C -1.340 175.162 176.600 -0.164 0.000 0.915 646 E CA -0.523 55.818 56.400 -0.100 0.000 0.784 646 E CB 2.286 31.926 29.700 -0.101 0.000 1.251 646 E HN 0.390 nan 8.360 nan 0.000 0.407 647 E N 1.260 121.378 120.200 -0.138 0.000 2.585 647 E HA -0.017 4.343 4.350 0.017 0.000 0.252 647 E C 0.258 176.713 176.600 -0.242 0.000 0.981 647 E CA 0.264 56.566 56.400 -0.163 0.000 0.943 647 E CB 0.728 30.357 29.700 -0.118 0.000 0.923 647 E HN 0.212 nan 8.360 nan 0.000 0.486 648 V N 3.704 123.420 119.914 -0.328 0.000 3.578 648 V HA 0.035 4.165 4.120 0.017 0.000 0.290 648 V C 1.566 177.431 176.094 -0.382 0.000 1.376 648 V CA 0.919 62.925 62.300 -0.490 0.000 1.083 648 V CB 0.315 31.694 31.823 -0.740 0.000 0.911 648 V HN 0.824 nan 8.190 nan 0.000 0.433 649 A N 0.061 122.711 122.820 -0.283 0.000 1.997 649 A HA -0.297 4.033 4.320 0.017 0.000 0.221 649 A C 1.986 179.372 177.584 -0.329 0.000 1.172 649 A CA 2.290 54.165 52.037 -0.270 0.000 0.645 649 A CB -0.284 18.610 19.000 -0.176 0.000 0.813 649 A HN 0.537 nan 8.150 nan 0.000 0.454 650 D N -0.862 119.390 120.400 -0.247 0.000 2.339 650 D HA -0.008 4.642 4.640 0.017 0.000 0.217 650 D C 1.107 177.337 176.300 -0.116 0.000 1.050 650 D CA 0.575 54.488 54.000 -0.146 0.000 0.856 650 D CB 0.082 40.852 40.800 -0.050 0.000 0.922 650 D HN 0.716 nan 8.370 nan 0.000 0.518 651 R N -0.833 119.508 120.500 -0.266 0.000 2.517 651 R HA 0.542 4.892 4.340 0.017 0.000 0.434 651 R C -0.647 175.554 176.300 -0.164 0.000 0.884 651 R CA -0.542 55.507 56.100 -0.086 0.000 1.090 651 R CB 0.239 30.555 30.300 0.026 0.000 1.601 651 R HN -0.042 nan 8.270 nan 0.000 0.579 652 A N 0.845 123.397 122.820 -0.446 0.000 2.449 652 A HA 0.777 5.107 4.320 0.017 0.000 0.302 652 A C -1.778 175.441 177.584 -0.608 0.000 1.048 652 A CA -0.656 51.160 52.037 -0.368 0.000 0.708 652 A CB 1.214 20.067 19.000 -0.245 0.000 1.274 652 A HN 0.273 nan 8.150 nan 0.000 0.410 653 Y N -0.013 120.074 120.300 -0.355 0.000 2.544 653 Y HA 0.520 5.077 4.550 0.013 0.000 0.342 653 Y C 0.959 176.809 175.900 -0.084 0.000 1.062 653 Y CA -0.205 57.789 58.100 -0.177 0.000 1.023 653 Y CB 2.357 40.752 38.460 -0.109 0.000 1.308 653 Y HN 0.876 nan 8.280 nan 0.000 0.457 654 T N -2.068 112.579 114.554 0.155 0.000 2.754 654 T HA 0.312 4.672 4.350 0.017 0.000 0.286 654 T C 1.397 176.179 174.700 0.137 0.000 0.997 654 T CA -0.035 62.133 62.100 0.114 0.000 0.982 654 T CB 1.018 69.939 68.868 0.087 0.000 1.027 654 T HN 0.846 nan 8.240 nan 0.000 0.529 655 G N -0.289 108.517 108.800 0.010 0.000 2.440 655 G HA2 -0.219 3.751 3.960 0.017 0.000 0.218 655 G HA3 -0.219 3.751 3.960 0.017 0.000 0.218 655 G C 1.610 176.570 174.900 0.100 0.000 1.154 655 G CA 0.781 45.793 45.100 -0.146 0.000 0.767 655 G HN 0.816 nan 8.290 nan 0.000 0.552 656 R N 0.546 121.116 120.500 0.118 0.000 2.062 656 R HA -0.057 4.293 4.340 0.017 0.000 0.231 656 R C 2.534 178.929 176.300 0.159 0.000 1.136 656 R CA 1.694 57.875 56.100 0.135 0.000 0.948 656 R CB -0.377 29.982 30.300 0.099 0.000 0.845 656 R HN 0.469 nan 8.270 nan 0.000 0.430 657 E N -0.329 119.981 120.200 0.183 0.000 2.070 657 E HA -0.255 4.105 4.350 0.017 0.000 0.197 657 E C 1.802 178.563 176.600 0.269 0.000 1.004 657 E CA 1.752 58.293 56.400 0.234 0.000 0.805 657 E CB -0.300 29.584 29.700 0.306 0.000 0.744 657 E HN 0.357 nan 8.360 nan 0.000 0.451 658 F N 1.946 121.968 119.950 0.120 0.000 2.102 658 F HA -0.219 4.315 4.527 0.011 0.000 0.298 658 F C 1.843 177.682 175.800 0.066 0.000 1.105 658 F CA 1.442 59.466 58.000 0.040 0.000 1.239 658 F CB 0.151 39.217 39.000 0.109 0.000 0.991 658 F HN -0.086 nan 8.300 nan 0.000 0.474 659 D N 0.196 120.695 120.400 0.165 0.000 2.178 659 D HA -0.160 4.490 4.640 0.017 0.000 0.202 659 D C 1.712 178.010 176.300 -0.004 0.000 0.974 659 D CA 1.175 55.215 54.000 0.067 0.000 0.841 659 D CB -0.527 40.389 40.800 0.194 0.000 0.953 659 D HN 0.346 nan 8.370 nan 0.000 0.478 660 D N 0.437 120.855 120.400 0.031 0.000 2.182 660 D HA -0.060 4.590 4.640 0.017 0.000 0.201 660 D C 0.882 177.166 176.300 -0.027 0.000 0.986 660 D CA 0.386 54.396 54.000 0.018 0.000 0.847 660 D CB -0.027 40.803 40.800 0.049 0.000 0.942 660 D HN 0.249 nan 8.370 nan 0.000 0.467 661 L N 1.513 122.688 121.223 -0.080 0.000 2.439 661 L HA 0.201 4.551 4.340 0.017 0.000 0.269 661 L C -1.994 174.788 176.870 -0.147 0.000 1.179 661 L CA -1.753 53.012 54.840 -0.125 0.000 0.828 661 L CB 0.009 41.940 42.059 -0.212 0.000 1.106 661 L HN -0.154 nan 8.230 nan 0.000 0.467 662 P HA 0.066 nan 4.420 nan 0.000 0.271 662 P C 0.552 177.776 177.300 -0.127 0.000 1.218 662 P CA -0.562 62.483 63.100 -0.092 0.000 0.780 662 P CB 0.675 32.340 31.700 -0.058 0.000 0.901 663 L N 2.603 123.774 121.223 -0.086 0.000 2.034 663 L HA -0.299 4.051 4.340 0.017 0.000 0.217 663 L C 2.548 179.372 176.870 -0.078 0.000 1.077 663 L CA 2.689 57.499 54.840 -0.049 0.000 0.769 663 L CB -2.190 39.882 42.059 0.022 0.000 0.890 663 L HN 0.498 nan 8.230 nan 0.000 0.435 664 A N -1.076 121.710 122.820 -0.056 0.000 1.884 664 A HA -0.285 4.045 4.320 0.017 0.000 0.219 664 A C 2.306 179.834 177.584 -0.093 0.000 1.197 664 A CA 2.125 54.130 52.037 -0.053 0.000 0.637 664 A CB -0.647 18.334 19.000 -0.031 0.000 0.827 664 A HN 0.426 nan 8.150 nan 0.000 0.450 665 E N -0.556 119.578 120.200 -0.111 0.000 2.274 665 E HA -0.095 4.265 4.350 0.017 0.000 0.194 665 E C 2.229 178.699 176.600 -0.217 0.000 0.996 665 E CA 0.930 57.257 56.400 -0.121 0.000 0.840 665 E CB -0.139 29.503 29.700 -0.097 0.000 0.772 665 E HN 0.747 nan 8.360 nan 0.000 0.491 666 Q N -0.376 119.208 119.800 -0.361 0.000 2.046 666 Q HA -0.137 4.213 4.340 0.017 0.000 0.200 666 Q C 2.237 177.837 176.000 -0.668 0.000 0.975 666 Q CA 1.233 56.674 55.803 -0.605 0.000 0.836 666 Q CB -0.109 28.129 28.738 -0.834 0.000 0.896 666 Q HN 0.124 nan 8.270 nan 0.000 0.428 667 R N 0.769 120.755 120.500 -0.857 0.000 2.083 667 R HA -0.219 4.131 4.340 0.017 0.000 0.237 667 R C 1.932 178.168 176.300 -0.106 0.000 1.137 667 R CA 1.701 57.377 56.100 -0.707 0.000 0.951 667 R CB 0.013 30.163 30.300 -0.251 0.000 0.851 667 R HN 0.068 nan 8.270 nan 0.000 0.434 668 E N 0.016 120.195 120.200 -0.036 0.000 2.106 668 E HA -0.055 4.305 4.350 0.017 0.000 0.192 668 E C 1.681 178.318 176.600 0.061 0.000 0.984 668 E CA 1.336 57.781 56.400 0.075 0.000 0.806 668 E CB -0.140 29.589 29.700 0.048 0.000 0.750 668 E HN 0.470 nan 8.360 nan 0.000 0.458 669 A N -0.134 122.698 122.820 0.020 0.000 1.908 669 A HA -0.239 4.091 4.320 0.017 0.000 0.218 669 A C 2.474 180.205 177.584 0.245 0.000 1.181 669 A CA 1.593 53.683 52.037 0.088 0.000 0.627 669 A CB -1.051 17.902 19.000 -0.078 0.000 0.818 669 A HN 0.472 nan 8.150 nan 0.000 0.445 670 C N -1.121 118.319 119.300 0.233 0.000 2.410 670 C HA -0.077 4.393 4.460 0.017 0.000 0.281 670 C C 2.760 177.863 174.990 0.187 0.000 1.318 670 C CA 1.063 60.234 59.018 0.256 0.000 1.776 670 C CB -1.400 26.446 27.740 0.176 0.000 1.942 670 C HN 0.567 nan 8.230 nan 0.000 0.508 671 R N 0.511 121.069 120.500 0.097 0.000 2.153 671 R HA -0.052 4.298 4.340 0.017 0.000 0.218 671 R C 2.364 178.671 176.300 0.012 0.000 1.072 671 R CA 1.029 57.099 56.100 -0.050 0.000 0.990 671 R CB -0.054 30.097 30.300 -0.248 0.000 0.889 671 R HN 0.697 nan 8.270 nan 0.000 0.452 672 R N -0.865 119.686 120.500 0.086 0.000 2.250 672 R HA 0.315 4.665 4.340 0.017 0.000 0.194 672 R C 0.530 176.924 176.300 0.157 0.000 0.927 672 R CA 0.267 56.428 56.100 0.100 0.000 1.052 672 R CB 0.216 30.572 30.300 0.092 0.000 1.055 672 R HN -0.098 nan 8.270 nan 0.000 0.537 673 A N 0.604 123.558 122.820 0.223 0.000 2.371 673 A HA 0.361 4.691 4.320 0.017 0.000 0.257 673 A C 0.266 177.992 177.584 0.236 0.000 1.089 673 A CA -0.526 51.634 52.037 0.206 0.000 0.794 673 A CB 0.812 19.881 19.000 0.115 0.000 1.029 673 A HN 0.492 nan 8.150 nan 0.000 0.488 674 C N 0.342 119.752 119.300 0.184 0.000 3.491 674 C HA 0.418 4.888 4.460 0.017 0.000 0.298 674 C C 0.245 175.261 174.990 0.044 0.000 1.424 674 C CA -0.188 58.888 59.018 0.097 0.000 1.772 674 C CB -1.258 26.413 27.740 -0.116 0.000 2.447 674 C HN 0.860 nan 8.230 nan 0.000 0.670 675 C N 1.458 120.771 119.300 0.020 0.000 2.727 675 C HA 0.683 5.153 4.460 0.017 0.000 0.369 675 C C -1.610 173.221 174.990 -0.266 0.000 1.067 675 C CA -0.519 58.508 59.018 0.015 0.000 1.273 675 C CB -0.725 27.127 27.740 0.186 0.000 1.778 675 C HN 0.384 nan 8.230 nan 0.000 0.467 676 F N 4.518 124.496 119.950 0.046 0.000 2.507 676 F HA 0.794 5.328 4.527 0.012 0.000 0.325 676 F C 0.496 176.291 175.800 -0.008 0.000 1.116 676 F CA 0.001 57.999 58.000 -0.004 0.000 0.930 676 F CB 2.024 40.956 39.000 -0.113 0.000 1.146 676 F HN 0.861 nan 8.300 nan 0.000 0.447 677 A N 2.115 125.012 122.820 0.128 0.000 2.479 677 A HA 0.809 5.139 4.320 0.017 0.000 0.296 677 A C -0.119 177.502 177.584 0.063 0.000 1.121 677 A CA -0.985 51.102 52.037 0.083 0.000 0.743 677 A CB 1.228 20.262 19.000 0.056 0.000 1.323 677 A HN 0.700 nan 8.150 nan 0.000 0.415 678 R N -1.337 119.202 120.500 0.065 0.000 3.225 678 R HA -0.154 4.196 4.340 0.017 0.000 0.245 678 R C -0.568 175.754 176.300 0.036 0.000 0.928 678 R CA 0.957 57.095 56.100 0.064 0.000 0.632 678 R CB -2.294 28.044 30.300 0.063 0.000 1.038 678 R HN 1.183 nan 8.270 nan 0.000 0.461 679 V N 0.088 120.025 119.914 0.039 0.000 2.604 679 V HA 0.342 4.472 4.120 0.017 0.000 0.305 679 V C 0.441 176.633 176.094 0.165 0.000 1.043 679 V CA -0.780 61.509 62.300 -0.020 0.000 0.888 679 V CB 2.271 34.050 31.823 -0.074 0.000 0.995 679 V HN 0.373 nan 8.190 nan 0.000 0.429 680 E N 6.203 126.649 120.200 0.410 0.000 2.369 680 E HA 0.312 4.672 4.350 0.017 0.000 0.255 680 E C -1.781 174.933 176.600 0.190 0.000 1.172 680 E CA -1.290 55.272 56.400 0.270 0.000 0.932 680 E CB 0.972 30.797 29.700 0.210 0.000 1.040 680 E HN 0.551 nan 8.360 nan 0.000 0.454 681 P HA -0.215 nan 4.420 nan 0.000 0.219 681 P C 1.087 178.404 177.300 0.028 0.000 1.146 681 P CA 1.406 64.541 63.100 0.059 0.000 0.808 681 P CB 0.092 31.815 31.700 0.038 0.000 0.779 682 S N -1.670 114.022 115.700 -0.013 0.000 2.383 682 S HA -0.205 4.275 4.470 0.017 0.000 0.227 682 S C 1.789 176.353 174.600 -0.060 0.000 1.026 682 S CA 1.048 59.203 58.200 -0.075 0.000 0.981 682 S CB -1.631 61.476 63.200 -0.156 0.000 0.818 682 S HN 0.246 nan 8.310 nan 0.000 0.472 683 H N 1.642 120.726 119.070 0.023 0.000 2.387 683 H HA 0.112 4.672 4.556 0.006 0.000 0.299 683 H C 2.296 177.582 175.328 -0.070 0.000 1.090 683 H CA 1.707 57.763 56.048 0.013 0.000 1.332 683 H CB -0.021 29.750 29.762 0.014 0.000 1.386 683 H HN 0.397 nan 8.280 nan 0.000 0.516 684 K N -0.038 120.405 120.400 0.072 0.000 2.063 684 K HA -0.156 4.174 4.320 0.017 0.000 0.208 684 K C 2.505 179.087 176.600 -0.030 0.000 1.048 684 K CA 1.329 57.611 56.287 -0.009 0.000 0.928 684 K CB -0.215 32.295 32.500 0.015 0.000 0.713 684 K HN 0.114 nan 8.250 nan 0.000 0.442 685 S N 1.125 116.815 115.700 -0.017 0.000 2.356 685 S HA -0.158 4.322 4.470 0.017 0.000 0.223 685 S C 1.987 176.553 174.600 -0.056 0.000 1.032 685 S CA 1.317 59.496 58.200 -0.035 0.000 1.005 685 S CB -0.016 63.161 63.200 -0.039 0.000 0.867 685 S HN 0.184 nan 8.310 nan 0.000 0.449 686 K N 0.297 120.668 120.400 -0.048 0.000 2.057 686 K HA -0.034 4.296 4.320 0.017 0.000 0.207 686 K C 2.064 178.644 176.600 -0.034 0.000 1.049 686 K CA 1.565 57.800 56.287 -0.087 0.000 0.931 686 K CB -0.352 32.169 32.500 0.033 0.000 0.714 686 K HN 0.465 nan 8.250 nan 0.000 0.440 687 I N 0.484 121.062 120.570 0.013 0.000 2.286 687 I HA -0.267 3.913 4.170 0.017 0.000 0.248 687 I C 2.164 178.296 176.117 0.025 0.000 1.115 687 I CA 0.861 62.152 61.300 -0.015 0.000 1.392 687 I CB -0.096 37.668 38.000 -0.395 0.000 1.065 687 I HN -0.046 nan 8.210 nan 0.000 0.418 688 V N 0.535 120.436 119.914 -0.021 0.000 2.427 688 V HA -0.268 3.862 4.120 0.017 0.000 0.248 688 V C 2.423 178.523 176.094 0.010 0.000 1.051 688 V CA 1.945 64.244 62.300 -0.001 0.000 1.048 688 V CB -0.475 31.338 31.823 -0.018 0.000 0.666 688 V HN 0.448 nan 8.190 nan 0.000 0.456 689 E N -0.745 119.428 120.200 -0.044 0.000 2.051 689 E HA -0.233 4.126 4.350 0.017 0.000 0.192 689 E C 2.173 178.744 176.600 -0.048 0.000 0.991 689 E CA 1.556 57.900 56.400 -0.093 0.000 0.799 689 E CB -0.226 29.351 29.700 -0.206 0.000 0.748 689 E HN 0.634 nan 8.360 nan 0.000 0.449 690 Y N 0.154 120.468 120.300 0.024 0.000 2.081 690 Y HA -0.244 4.313 4.550 0.013 0.000 0.280 690 Y C 2.107 178.070 175.900 0.105 0.000 1.163 690 Y CA 1.011 59.139 58.100 0.048 0.000 1.135 690 Y CB -0.569 37.958 38.460 0.112 0.000 0.970 690 Y HN 0.159 nan 8.280 nan 0.000 0.498 691 L N 0.040 121.444 121.223 0.301 0.000 2.012 691 L HA -0.262 4.088 4.340 0.017 0.000 0.210 691 L C 2.262 179.270 176.870 0.230 0.000 1.073 691 L CA 1.698 56.714 54.840 0.295 0.000 0.748 691 L CB -1.554 40.603 42.059 0.164 0.000 0.891 691 L HN 0.328 nan 8.230 nan 0.000 0.431 692 Q N -0.968 118.903 119.800 0.118 0.000 2.234 692 Q HA -0.185 4.165 4.340 0.017 0.000 0.206 692 Q C 2.151 178.173 176.000 0.036 0.000 0.980 692 Q CA 1.584 57.425 55.803 0.062 0.000 0.869 692 Q CB -0.223 28.525 28.738 0.017 0.000 0.912 692 Q HN 0.659 nan 8.270 nan 0.000 0.436 693 S N -0.789 114.913 115.700 0.003 0.000 2.555 693 S HA -0.095 4.385 4.470 0.017 0.000 0.230 693 S C 0.871 175.339 174.600 -0.221 0.000 0.978 693 S CA 0.305 58.438 58.200 -0.112 0.000 0.934 693 S CB -0.093 63.013 63.200 -0.156 0.000 0.766 693 S HN 0.360 nan 8.310 nan 0.000 0.533 694 Y N 2.173 122.504 120.300 0.052 0.000 2.583 694 Y HA 0.297 4.856 4.550 0.016 0.000 0.294 694 Y C 0.295 176.209 175.900 0.023 0.000 1.170 694 Y CA -1.058 57.065 58.100 0.038 0.000 1.265 694 Y CB -0.566 37.919 38.460 0.041 0.000 1.119 694 Y HN 0.179 nan 8.280 nan 0.000 0.522 695 D N 1.689 122.148 120.400 0.099 0.000 2.720 695 D HA -0.239 4.410 4.640 0.017 0.000 0.229 695 D C -0.147 176.197 176.300 0.074 0.000 1.198 695 D CA 1.048 55.087 54.000 0.064 0.000 0.639 695 D CB -0.487 40.339 40.800 0.042 0.000 1.003 695 D HN 0.561 nan 8.370 nan 0.000 0.411 696 E N -0.404 119.851 120.200 0.092 0.000 2.235 696 E HA 0.495 4.855 4.350 0.017 0.000 0.265 696 E C 0.417 177.042 176.600 0.041 0.000 0.940 696 E CA -0.967 55.472 56.400 0.065 0.000 0.819 696 E CB 1.575 31.325 29.700 0.083 0.000 1.206 696 E HN 0.025 nan 8.360 nan 0.000 0.409 697 I N 2.147 122.728 120.570 0.019 0.000 2.315 697 I HA 0.212 4.392 4.170 0.017 0.000 0.291 697 I C -0.100 176.021 176.117 0.007 0.000 1.006 697 I CA -0.085 61.218 61.300 0.005 0.000 1.265 697 I CB 0.794 38.786 38.000 -0.013 0.000 1.387 697 I HN 0.397 nan 8.210 nan 0.000 0.475 698 T N 5.542 120.101 114.554 0.009 0.000 2.829 698 T HA 0.733 5.093 4.350 0.017 0.000 0.280 698 T C -0.073 174.626 174.700 -0.002 0.000 0.999 698 T CA -0.538 61.568 62.100 0.011 0.000 0.983 698 T CB 2.138 71.019 68.868 0.022 0.000 0.968 698 T HN 0.715 nan 8.240 nan 0.000 0.446 699 A N 2.861 125.678 122.820 -0.005 0.000 2.365 699 A HA 0.869 5.199 4.320 0.017 0.000 0.318 699 A C -0.807 176.774 177.584 -0.005 0.000 1.091 699 A CA -0.802 51.226 52.037 -0.015 0.000 0.763 699 A CB 1.410 20.390 19.000 -0.033 0.000 1.248 699 A HN 0.698 nan 8.150 nan 0.000 0.442 700 M N 1.657 121.252 119.600 -0.007 0.000 2.383 700 M HA 0.611 5.101 4.480 0.017 0.000 0.325 700 M C -0.775 175.528 176.300 0.006 0.000 1.092 700 M CA -0.072 55.231 55.300 0.006 0.000 0.961 700 M CB 1.732 34.335 32.600 0.004 0.000 1.672 700 M HN 0.599 nan 8.290 nan 0.000 0.438 701 T N 2.971 117.543 114.554 0.031 0.000 2.841 701 T HA 0.963 5.323 4.350 0.017 0.000 0.283 701 T C -0.242 174.498 174.700 0.067 0.000 1.000 701 T CA -0.662 61.464 62.100 0.044 0.000 0.977 701 T CB 1.538 70.460 68.868 0.091 0.000 0.979 701 T HN 0.931 nan 8.240 nan 0.000 0.446 702 G N 0.858 109.692 108.800 0.057 0.000 2.506 702 G HA2 0.513 4.483 3.960 0.017 0.000 0.292 702 G HA3 0.513 4.483 3.960 0.017 0.000 0.292 702 G C -0.799 174.131 174.900 0.050 0.000 1.425 702 G CA -0.657 44.478 45.100 0.058 0.000 0.788 702 G HN 0.599 nan 8.290 nan 0.000 0.490 703 D N -1.314 119.116 120.400 0.051 0.000 2.480 703 D HA 0.229 4.879 4.640 0.017 0.000 0.243 703 D C 0.936 177.261 176.300 0.043 0.000 1.120 703 D CA 0.669 54.696 54.000 0.046 0.000 0.835 703 D CB 1.189 42.018 40.800 0.049 0.000 1.204 703 D HN 0.806 nan 8.370 nan 0.000 0.513 704 G N 0.928 109.757 108.800 0.048 0.000 2.568 704 G HA2 0.433 4.403 3.960 0.017 0.000 0.313 704 G HA3 0.433 4.403 3.960 0.017 0.000 0.313 704 G C 1.030 175.962 174.900 0.054 0.000 1.227 704 G CA -0.173 44.959 45.100 0.054 0.000 0.979 704 G HN 0.076 nan 8.290 nan 0.000 0.486 705 V N -0.827 119.123 119.914 0.060 0.000 2.759 705 V HA -0.086 4.044 4.120 0.017 0.000 0.256 705 V C 1.938 178.065 176.094 0.056 0.000 1.080 705 V CA 1.717 64.049 62.300 0.055 0.000 1.101 705 V CB -0.686 31.172 31.823 0.059 0.000 0.698 705 V HN 0.681 nan 8.190 nan 0.000 0.477 706 N N 0.363 119.106 118.700 0.071 0.000 2.521 706 N HA -0.112 4.638 4.740 0.017 0.000 0.188 706 N C 0.913 176.457 175.510 0.056 0.000 1.146 706 N CA 1.292 54.384 53.050 0.071 0.000 0.893 706 N CB -0.395 38.151 38.487 0.099 0.000 0.975 706 N HN 0.566 nan 8.380 nan 0.000 0.451 707 D N 0.300 120.729 120.400 0.049 0.000 2.392 707 D HA 0.203 4.853 4.640 0.017 0.000 0.206 707 D C 1.744 178.059 176.300 0.026 0.000 1.046 707 D CA 0.388 54.411 54.000 0.038 0.000 0.865 707 D CB 0.187 41.011 40.800 0.041 0.000 0.969 707 D HN 0.308 nan 8.370 nan 0.000 0.509 708 A N 2.344 125.178 122.820 0.025 0.000 1.851 708 A HA -0.135 4.195 4.320 0.017 0.000 0.216 708 A C -0.248 177.341 177.584 0.007 0.000 1.195 708 A CA 1.494 53.541 52.037 0.016 0.000 0.622 708 A CB -1.602 17.408 19.000 0.017 0.000 0.831 708 A HN 0.123 nan 8.150 nan 0.000 0.444 709 P HA -0.271 nan 4.420 nan 0.000 0.219 709 P C 1.748 179.042 177.300 -0.008 0.000 1.161 709 P CA 2.565 65.662 63.100 -0.005 0.000 0.909 709 P CB -0.202 31.494 31.700 -0.007 0.000 0.793 710 A N -1.335 121.483 122.820 -0.004 0.000 1.930 710 A HA -0.145 4.185 4.320 0.017 0.000 0.217 710 A C 2.276 179.856 177.584 -0.005 0.000 1.175 710 A CA 1.329 53.361 52.037 -0.008 0.000 0.627 710 A CB -1.586 17.412 19.000 -0.003 0.000 0.815 710 A HN 0.112 nan 8.150 nan 0.000 0.443 711 L N -0.947 120.276 121.223 0.001 0.000 2.046 711 L HA -0.223 4.127 4.340 0.017 0.000 0.208 711 L C 2.607 179.473 176.870 -0.006 0.000 1.077 711 L CA 1.832 56.672 54.840 -0.001 0.000 0.747 711 L CB -0.360 41.702 42.059 0.005 0.000 0.896 711 L HN 0.327 nan 8.230 nan 0.000 0.432 712 K N -0.017 120.379 120.400 -0.007 0.000 2.057 712 K HA -0.221 4.109 4.320 0.017 0.000 0.206 712 K C 2.148 178.740 176.600 -0.015 0.000 1.050 712 K CA 1.373 57.654 56.287 -0.011 0.000 0.935 712 K CB -0.038 32.456 32.500 -0.011 0.000 0.715 712 K HN 0.013 nan 8.250 nan 0.000 0.439 713 K N 0.812 121.202 120.400 -0.017 0.000 2.097 713 K HA 0.012 4.342 4.320 0.017 0.000 0.205 713 K C 0.447 177.036 176.600 -0.019 0.000 1.050 713 K CA 0.742 57.016 56.287 -0.023 0.000 0.938 713 K CB -0.057 32.425 32.500 -0.030 0.000 0.718 713 K HN 0.169 nan 8.250 nan 0.000 0.442 714 A N 0.753 123.564 122.820 -0.015 0.000 2.366 714 A HA 0.049 4.379 4.320 0.017 0.000 0.250 714 A C 0.812 178.389 177.584 -0.013 0.000 1.099 714 A CA -0.034 51.996 52.037 -0.011 0.000 0.794 714 A CB 0.175 19.169 19.000 -0.010 0.000 1.056 714 A HN 0.375 nan 8.150 nan 0.000 0.499 715 E N -0.755 119.437 120.200 -0.012 0.000 2.072 715 E HA -0.022 4.338 4.350 0.017 0.000 0.190 715 E C 0.311 176.900 176.600 -0.018 0.000 0.982 715 E CA 1.163 57.555 56.400 -0.014 0.000 0.803 715 E CB -0.020 29.672 29.700 -0.014 0.000 0.755 715 E HN 0.571 nan 8.360 nan 0.000 0.453 716 I N -0.466 120.091 120.570 -0.021 0.000 2.498 716 I HA 0.503 4.683 4.170 0.017 0.000 0.290 716 I C 0.225 176.327 176.117 -0.025 0.000 1.032 716 I CA -0.922 60.362 61.300 -0.027 0.000 1.073 716 I CB 1.374 39.353 38.000 -0.036 0.000 1.251 716 I HN -0.109 nan 8.210 nan 0.000 0.426 717 G N 6.820 115.606 108.800 -0.023 0.000 2.422 717 G HA2 0.719 4.689 3.960 0.017 0.000 0.317 717 G HA3 0.719 4.689 3.960 0.017 0.000 0.317 717 G C -0.690 174.195 174.900 -0.024 0.000 1.210 717 G CA -0.443 44.646 45.100 -0.019 0.000 0.930 717 G HN 0.553 nan 8.290 nan 0.000 0.468 718 I N 2.193 122.746 120.570 -0.028 0.000 2.382 718 I HA 0.523 4.703 4.170 0.017 0.000 0.286 718 I C 0.415 176.523 176.117 -0.015 0.000 1.002 718 I CA -0.785 60.493 61.300 -0.036 0.000 1.135 718 I CB 1.989 39.946 38.000 -0.073 0.000 1.288 718 I HN 0.506 nan 8.210 nan 0.000 0.448 719 A N 7.575 130.390 122.820 -0.008 0.000 2.312 719 A HA 0.808 5.138 4.320 0.017 0.000 0.328 719 A C -0.076 177.515 177.584 0.013 0.000 1.158 719 A CA -0.724 51.318 52.037 0.009 0.000 0.821 719 A CB 1.049 20.054 19.000 0.009 0.000 1.170 719 A HN 0.615 nan 8.150 nan 0.000 0.490 720 M N 1.921 121.539 119.600 0.028 0.000 2.242 720 M HA 0.163 4.653 4.480 0.017 0.000 0.344 720 M C 1.595 177.912 176.300 0.029 0.000 1.140 720 M CA 0.264 55.585 55.300 0.035 0.000 1.160 720 M CB 0.564 33.193 32.600 0.049 0.000 1.491 720 M HN 0.927 nan 8.290 nan 0.000 0.459 721 G N 1.254 110.071 108.800 0.029 0.000 2.421 721 G HA2 -0.161 3.809 3.960 0.017 0.000 0.216 721 G HA3 -0.161 3.809 3.960 0.017 0.000 0.216 721 G C 1.396 176.315 174.900 0.032 0.000 1.171 721 G CA 0.769 45.886 45.100 0.029 0.000 0.775 721 G HN 0.693 nan 8.290 nan 0.000 0.543 722 S N 0.609 116.331 115.700 0.036 0.000 2.469 722 S HA 0.076 4.556 4.470 0.017 0.000 0.238 722 S C 1.626 176.245 174.600 0.033 0.000 0.998 722 S CA 0.625 58.847 58.200 0.037 0.000 0.957 722 S CB -0.234 62.992 63.200 0.043 0.000 0.764 722 S HN 0.630 nan 8.310 nan 0.000 0.514 723 G N 1.260 110.080 108.800 0.033 0.000 2.509 723 G HA2 0.403 4.373 3.960 0.017 0.000 0.269 723 G HA3 0.403 4.373 3.960 0.017 0.000 0.269 723 G C 0.075 174.990 174.900 0.026 0.000 1.416 723 G CA -0.268 44.851 45.100 0.032 0.000 1.052 723 G HN 0.369 nan 8.290 nan 0.000 0.542 724 T N -2.574 111.997 114.554 0.027 0.000 2.898 724 T HA 0.435 4.795 4.350 0.017 0.000 0.301 724 T C 1.579 176.291 174.700 0.021 0.000 1.049 724 T CA 0.347 62.462 62.100 0.024 0.000 1.095 724 T CB 1.460 70.346 68.868 0.029 0.000 0.976 724 T HN 0.845 nan 8.240 nan 0.000 0.539 725 A N 2.062 124.893 122.820 0.018 0.000 1.933 725 A HA -0.022 4.308 4.320 0.017 0.000 0.218 725 A C 2.428 180.022 177.584 0.017 0.000 1.175 725 A CA 1.787 53.834 52.037 0.016 0.000 0.628 725 A CB -1.246 17.763 19.000 0.014 0.000 0.814 725 A HN 1.270 nan 8.150 nan 0.000 0.444 726 V N -1.220 118.707 119.914 0.021 0.000 2.427 726 V HA -0.047 4.083 4.120 0.017 0.000 0.248 726 V C 2.477 178.582 176.094 0.019 0.000 1.051 726 V CA 2.176 64.488 62.300 0.021 0.000 1.048 726 V CB -0.998 30.839 31.823 0.024 0.000 0.666 726 V HN 0.553 nan 8.190 nan 0.000 0.456 727 A N 0.319 123.152 122.820 0.022 0.000 1.902 727 A HA -0.202 4.128 4.320 0.017 0.000 0.217 727 A C 2.276 179.869 177.584 0.015 0.000 1.181 727 A CA 2.172 54.222 52.037 0.021 0.000 0.623 727 A CB -0.659 18.358 19.000 0.027 0.000 0.818 727 A HN 0.642 nan 8.150 nan 0.000 0.443 728 K N -0.959 119.449 120.400 0.014 0.000 2.063 728 K HA -0.116 4.214 4.320 0.017 0.000 0.208 728 K C 2.059 178.662 176.600 0.006 0.000 1.048 728 K CA 1.797 58.090 56.287 0.010 0.000 0.928 728 K CB -0.452 32.055 32.500 0.011 0.000 0.713 728 K HN 0.447 nan 8.250 nan 0.000 0.442 729 T N 0.707 115.266 114.554 0.008 0.000 2.803 729 T HA -0.128 4.232 4.350 0.017 0.000 0.269 729 T C 1.594 176.295 174.700 0.003 0.000 1.052 729 T CA 1.370 63.473 62.100 0.006 0.000 1.136 729 T CB -0.116 68.757 68.868 0.009 0.000 0.864 729 T HN 0.317 nan 8.240 nan 0.000 0.467 730 A N 0.527 123.350 122.820 0.004 0.000 2.278 730 A HA 0.452 4.782 4.320 0.017 0.000 0.212 730 A C 1.073 178.655 177.584 -0.003 0.000 1.213 730 A CA -0.159 51.878 52.037 0.001 0.000 0.840 730 A CB 0.151 19.153 19.000 0.004 0.000 0.866 730 A HN 0.306 nan 8.150 nan 0.000 0.489 731 S N -1.115 114.583 115.700 -0.004 0.000 2.621 731 S HA 0.439 4.919 4.470 0.017 0.000 0.302 731 S C 0.345 174.938 174.600 -0.012 0.000 1.093 731 S CA -0.445 57.750 58.200 -0.008 0.000 1.017 731 S CB 1.643 64.838 63.200 -0.007 0.000 1.077 731 S HN 0.363 nan 8.310 nan 0.000 0.517 732 E N 0.619 120.808 120.200 -0.018 0.000 2.307 732 E HA 0.296 4.656 4.350 0.017 0.000 0.195 732 E C -0.085 176.500 176.600 -0.024 0.000 0.975 732 E CA 0.697 57.084 56.400 -0.021 0.000 0.878 732 E CB 0.350 30.036 29.700 -0.024 0.000 0.845 732 E HN 0.376 nan 8.360 nan 0.000 0.488 733 M N 0.437 120.020 119.600 -0.028 0.000 2.518 733 M HA 0.424 4.914 4.480 0.017 0.000 0.300 733 M C -1.519 174.765 176.300 -0.027 0.000 1.175 733 M CA -0.884 54.397 55.300 -0.032 0.000 0.890 733 M CB 2.689 35.262 32.600 -0.046 0.000 1.710 733 M HN -0.317 nan 8.290 nan 0.000 0.453 734 V N 4.386 124.286 119.914 -0.024 0.000 2.482 734 V HA 0.375 4.505 4.120 0.017 0.000 0.295 734 V C -0.415 175.668 176.094 -0.017 0.000 1.026 734 V CA -0.720 61.571 62.300 -0.015 0.000 0.856 734 V CB 1.949 33.769 31.823 -0.004 0.000 1.001 734 V HN 0.708 nan 8.190 nan 0.000 0.424 735 L N 4.266 125.478 121.223 -0.018 0.000 2.433 735 L HA 0.351 4.701 4.340 0.017 0.000 0.284 735 L C 1.546 178.417 176.870 0.002 0.000 1.120 735 L CA -0.047 54.784 54.840 -0.015 0.000 0.879 735 L CB 0.560 42.609 42.059 -0.016 0.000 1.232 735 L HN 0.803 nan 8.230 nan 0.000 0.454 736 A N 1.928 124.748 122.820 -0.000 0.000 1.929 736 A HA -0.152 4.178 4.320 0.017 0.000 0.216 736 A C 1.815 179.408 177.584 0.015 0.000 1.176 736 A CA 0.959 53.004 52.037 0.014 0.000 0.628 736 A CB -0.224 18.786 19.000 0.018 0.000 0.816 736 A HN 0.722 nan 8.150 nan 0.000 0.444 737 D N 0.421 120.819 120.400 -0.004 0.000 2.254 737 D HA -0.170 4.480 4.640 0.017 0.000 0.201 737 D C -0.015 176.297 176.300 0.021 0.000 0.998 737 D CA 1.456 55.455 54.000 -0.002 0.000 0.885 737 D CB -0.283 40.511 40.800 -0.012 0.000 0.915 737 D HN 0.472 nan 8.370 nan 0.000 0.460 738 D N -0.420 119.998 120.400 0.029 0.000 2.792 738 D HA -0.248 4.402 4.640 0.017 0.000 0.231 738 D C -0.319 176.022 176.300 0.070 0.000 1.160 738 D CA 0.547 54.578 54.000 0.050 0.000 0.697 738 D CB -1.777 39.054 40.800 0.052 0.000 1.070 738 D HN 0.347 nan 8.370 nan 0.000 0.426 739 N N 0.038 118.771 118.700 0.055 0.000 2.501 739 N HA 0.164 4.914 4.740 0.017 0.000 0.245 739 N C 0.363 175.932 175.510 0.098 0.000 0.974 739 N CA -0.524 52.569 53.050 0.072 0.000 0.941 739 N CB 0.233 38.740 38.487 0.033 0.000 1.122 739 N HN -0.045 nan 8.380 nan 0.000 0.507 740 F N 2.815 122.759 119.950 -0.010 0.000 2.216 740 F HA -0.151 4.386 4.527 0.016 0.000 0.300 740 F C 2.087 177.879 175.800 -0.013 0.000 1.085 740 F CA 1.246 59.240 58.000 -0.011 0.000 1.326 740 F CB 0.111 39.105 39.000 -0.011 0.000 1.027 740 F HN 0.479 nan 8.300 nan 0.000 0.497 741 S N -0.493 115.300 115.700 0.155 0.000 2.392 741 S HA -0.255 4.225 4.470 0.017 0.000 0.232 741 S C 1.924 176.511 174.600 -0.022 0.000 1.041 741 S CA 1.890 60.133 58.200 0.070 0.000 1.026 741 S CB -0.692 62.543 63.200 0.058 0.000 0.845 741 S HN 0.504 nan 8.310 nan 0.000 0.465 742 T N 2.568 117.094 114.554 -0.047 0.000 2.759 742 T HA -0.036 4.324 4.350 0.017 0.000 0.269 742 T C 1.670 176.302 174.700 -0.112 0.000 1.042 742 T CA 1.116 63.175 62.100 -0.068 0.000 1.140 742 T CB -0.459 68.371 68.868 -0.063 0.000 0.864 742 T HN 0.383 nan 8.240 nan 0.000 0.455 743 I N 0.946 121.395 120.570 -0.202 0.000 2.118 743 I HA -0.216 3.964 4.170 0.017 0.000 0.241 743 I C 2.511 178.532 176.117 -0.160 0.000 1.070 743 I CA 1.265 62.414 61.300 -0.251 0.000 1.327 743 I CB -0.769 36.932 38.000 -0.498 0.000 1.034 743 I HN 0.124 nan 8.210 nan 0.000 0.405 744 V N 1.179 121.018 119.914 -0.125 0.000 2.255 744 V HA -0.321 3.809 4.120 0.017 0.000 0.247 744 V C 2.809 178.874 176.094 -0.048 0.000 1.051 744 V CA 2.064 64.328 62.300 -0.060 0.000 1.018 744 V CB -1.179 30.635 31.823 -0.015 0.000 0.641 744 V HN 0.527 nan 8.190 nan 0.000 0.445 745 A N 0.159 122.953 122.820 -0.044 0.000 1.903 745 A HA -0.262 4.068 4.320 0.017 0.000 0.219 745 A C 2.430 179.989 177.584 -0.042 0.000 1.191 745 A CA 2.711 54.727 52.037 -0.035 0.000 0.638 745 A CB -0.965 18.016 19.000 -0.033 0.000 0.823 745 A HN 0.639 nan 8.150 nan 0.000 0.451 746 A N -0.782 122.003 122.820 -0.058 0.000 1.902 746 A HA 0.028 4.358 4.320 0.017 0.000 0.217 746 A C 2.250 179.803 177.584 -0.052 0.000 1.181 746 A CA 1.783 53.785 52.037 -0.058 0.000 0.623 746 A CB -1.005 17.951 19.000 -0.073 0.000 0.818 746 A HN 0.422 nan 8.150 nan 0.000 0.443 747 V N 0.069 119.950 119.914 -0.056 0.000 2.219 747 V HA -0.344 3.786 4.120 0.017 0.000 0.248 747 V C 2.523 178.598 176.094 -0.033 0.000 1.053 747 V CA 2.472 64.745 62.300 -0.046 0.000 1.009 747 V CB -0.895 30.901 31.823 -0.045 0.000 0.636 747 V HN 0.774 nan 8.190 nan 0.000 0.445 748 E N -0.378 119.805 120.200 -0.028 0.000 2.147 748 E HA -0.351 4.009 4.350 0.017 0.000 0.199 748 E C 2.148 178.738 176.600 -0.017 0.000 1.005 748 E CA 1.984 58.374 56.400 -0.018 0.000 0.810 748 E CB -0.046 29.645 29.700 -0.014 0.000 0.736 748 E HN 0.652 nan 8.360 nan 0.000 0.460 749 E N -0.451 119.734 120.200 -0.025 0.000 2.046 749 E HA -0.079 4.281 4.350 0.017 0.000 0.190 749 E C 1.954 178.540 176.600 -0.024 0.000 0.982 749 E CA 1.547 57.929 56.400 -0.030 0.000 0.800 749 E CB -0.774 28.901 29.700 -0.040 0.000 0.756 749 E HN 0.313 nan 8.360 nan 0.000 0.449 750 G N 0.131 108.918 108.800 -0.023 0.000 2.475 750 G HA2 -0.343 3.627 3.960 0.017 0.000 0.220 750 G HA3 -0.343 3.627 3.960 0.017 0.000 0.220 750 G C 1.818 176.730 174.900 0.020 0.000 1.125 750 G CA 1.018 46.112 45.100 -0.009 0.000 0.755 750 G HN 0.186 nan 8.290 nan 0.000 0.565 751 R N 0.427 120.934 120.500 0.012 0.000 2.075 751 R HA 0.157 4.507 4.340 0.017 0.000 0.232 751 R C 2.936 179.283 176.300 0.079 0.000 1.126 751 R CA 1.507 57.628 56.100 0.034 0.000 0.963 751 R CB -0.468 29.837 30.300 0.009 0.000 0.858 751 R HN 0.288 nan 8.270 nan 0.000 0.435 752 A N 0.204 123.046 122.820 0.037 0.000 1.898 752 A HA -0.086 4.244 4.320 0.017 0.000 0.216 752 A C 2.166 179.758 177.584 0.012 0.000 1.181 752 A CA 1.233 53.284 52.037 0.023 0.000 0.620 752 A CB -0.526 18.471 19.000 -0.006 0.000 0.819 752 A HN 0.293 nan 8.150 nan 0.000 0.442 753 I N -1.854 118.716 120.570 -0.000 0.000 2.208 753 I HA -0.304 3.876 4.170 0.017 0.000 0.245 753 I C 2.440 178.562 176.117 0.007 0.000 1.097 753 I CA 1.884 63.167 61.300 -0.027 0.000 1.363 753 I CB -0.379 37.600 38.000 -0.035 0.000 1.051 753 I HN 0.548 nan 8.210 nan 0.000 0.413 754 Y N 1.956 122.231 120.300 -0.041 0.000 2.097 754 Y HA -0.330 4.230 4.550 0.017 0.000 0.282 754 Y C 2.253 178.148 175.900 -0.010 0.000 1.152 754 Y CA 2.273 60.358 58.100 -0.026 0.000 1.136 754 Y CB -0.603 37.845 38.460 -0.019 0.000 0.975 754 Y HN 0.212 nan 8.280 nan 0.000 0.498 755 N N -0.281 118.465 118.700 0.076 0.000 2.166 755 N HA -0.204 4.546 4.740 0.017 0.000 0.186 755 N C 1.340 176.824 175.510 -0.043 0.000 1.019 755 N CA 0.999 54.057 53.050 0.014 0.000 0.856 755 N CB -0.187 38.347 38.487 0.079 0.000 0.993 755 N HN 0.388 nan 8.380 nan 0.000 0.426 756 N N 0.840 119.516 118.700 -0.039 0.000 2.084 756 N HA -0.095 4.655 4.740 0.017 0.000 0.190 756 N C 1.589 177.073 175.510 -0.043 0.000 1.030 756 N CA 1.014 54.043 53.050 -0.035 0.000 0.849 756 N CB -0.247 38.202 38.487 -0.064 0.000 1.012 756 N HN 0.205 nan 8.380 nan 0.000 0.423 757 M N 1.513 121.040 119.600 -0.121 0.000 2.082 757 M HA -0.113 4.377 4.480 0.017 0.000 0.258 757 M C 1.891 178.141 176.300 -0.084 0.000 1.069 757 M CA 1.330 56.548 55.300 -0.136 0.000 1.102 757 M CB -1.018 31.448 32.600 -0.222 0.000 1.336 757 M HN 0.127 nan 8.290 nan 0.000 0.404 758 K N -0.369 119.901 120.400 -0.218 0.000 2.001 758 K HA -0.248 4.082 4.320 0.017 0.000 0.214 758 K C 2.080 178.682 176.600 0.004 0.000 1.050 758 K CA 1.741 57.941 56.287 -0.145 0.000 0.934 758 K CB -0.181 32.213 32.500 -0.177 0.000 0.718 758 K HN 0.234 nan 8.250 nan 0.000 0.443 759 Q N -0.109 119.711 119.800 0.033 0.000 2.124 759 Q HA -0.135 4.215 4.340 0.017 0.000 0.202 759 Q C 1.737 177.804 176.000 0.112 0.000 0.977 759 Q CA 1.387 57.231 55.803 0.070 0.000 0.850 759 Q CB -0.402 28.370 28.738 0.058 0.000 0.901 759 Q HN 0.321 nan 8.270 nan 0.000 0.429 760 F N 0.281 120.226 119.950 -0.008 0.000 2.043 760 F HA -0.245 4.293 4.527 0.017 0.000 0.297 760 F C 1.828 177.641 175.800 0.022 0.000 1.121 760 F CA 1.519 59.538 58.000 0.032 0.000 1.199 760 F CB -0.261 38.740 39.000 0.000 0.000 0.968 760 F HN 0.041 nan 8.300 nan 0.000 0.478 761 I N 0.087 120.746 120.570 0.148 0.000 2.163 761 I HA -0.343 3.837 4.170 0.017 0.000 0.243 761 I C 2.762 178.704 176.117 -0.291 0.000 1.085 761 I CA 1.515 62.792 61.300 -0.039 0.000 1.347 761 I CB -0.574 37.419 38.000 -0.012 0.000 1.044 761 I HN 0.169 nan 8.210 nan 0.000 0.408 762 R N 0.169 120.531 120.500 -0.230 0.000 2.083 762 R HA -0.264 4.086 4.340 0.017 0.000 0.237 762 R C 2.529 178.623 176.300 -0.344 0.000 1.137 762 R CA 2.224 58.094 56.100 -0.384 0.000 0.951 762 R CB -0.624 29.672 30.300 -0.006 0.000 0.851 762 R HN 0.346 nan 8.270 nan 0.000 0.434 763 Y N 1.330 121.461 120.300 -0.281 0.000 2.097 763 Y HA -0.228 4.331 4.550 0.017 0.000 0.282 763 Y C 2.046 177.754 175.900 -0.321 0.000 1.152 763 Y CA 1.720 59.664 58.100 -0.260 0.000 1.136 763 Y CB -0.590 37.731 38.460 -0.231 0.000 0.975 763 Y HN 0.024 nan 8.280 nan 0.000 0.498 764 L N -0.636 120.205 121.223 -0.637 0.000 2.005 764 L HA -0.237 4.113 4.340 0.017 0.000 0.207 764 L C 2.424 178.981 176.870 -0.521 0.000 1.072 764 L CA 1.033 55.458 54.840 -0.691 0.000 0.744 764 L CB -0.683 41.040 42.059 -0.560 0.000 0.895 764 L HN 0.269 nan 8.230 nan 0.000 0.433 765 I N 0.322 120.614 120.570 -0.464 0.000 2.058 765 I HA -0.309 3.871 4.170 0.017 0.000 0.235 765 I C 2.906 178.801 176.117 -0.371 0.000 1.053 765 I CA 2.051 63.115 61.300 -0.392 0.000 1.313 765 I CB -1.530 36.152 38.000 -0.530 0.000 1.039 765 I HN 0.363 nan 8.210 nan 0.000 0.396 766 S N 0.660 116.101 115.700 -0.433 0.000 2.372 766 S HA -0.227 4.253 4.470 0.017 0.000 0.227 766 S C 2.130 176.579 174.600 -0.251 0.000 1.044 766 S CA 2.025 60.060 58.200 -0.275 0.000 1.050 766 S CB -0.967 62.103 63.200 -0.216 0.000 0.901 766 S HN 0.423 nan 8.310 nan 0.000 0.447 767 S N 2.930 118.422 115.700 -0.346 0.000 2.345 767 S HA -0.002 4.478 4.470 0.017 0.000 0.220 767 S C 1.835 176.276 174.600 -0.264 0.000 1.031 767 S CA 1.256 59.260 58.200 -0.327 0.000 0.996 767 S CB -0.665 62.207 63.200 -0.547 0.000 0.882 767 S HN 0.583 nan 8.310 nan 0.000 0.445 768 N N 1.114 119.637 118.700 -0.294 0.000 2.396 768 N HA 0.029 4.779 4.740 0.017 0.000 0.180 768 N C 1.508 176.915 175.510 -0.172 0.000 1.028 768 N CA 0.361 53.282 53.050 -0.216 0.000 0.893 768 N CB -0.533 37.824 38.487 -0.216 0.000 0.967 768 N HN 0.141 nan 8.380 nan 0.000 0.440 769 V N 0.419 120.226 119.914 -0.180 0.000 2.295 769 V HA -0.159 3.971 4.120 0.017 0.000 0.246 769 V C 2.340 178.352 176.094 -0.136 0.000 1.049 769 V CA 2.090 64.297 62.300 -0.156 0.000 1.024 769 V CB -1.171 30.556 31.823 -0.160 0.000 0.648 769 V HN 0.363 nan 8.190 nan 0.000 0.447 770 G N -0.544 108.179 108.800 -0.128 0.000 2.440 770 G HA2 -0.261 3.709 3.960 0.017 0.000 0.218 770 G HA3 -0.261 3.709 3.960 0.017 0.000 0.218 770 G C 1.407 176.260 174.900 -0.078 0.000 1.154 770 G CA 0.957 46.000 45.100 -0.094 0.000 0.767 770 G HN 0.585 nan 8.290 nan 0.000 0.552 771 E N -0.213 119.934 120.200 -0.088 0.000 2.130 771 E HA -0.114 4.246 4.350 0.017 0.000 0.196 771 E C 2.636 179.208 176.600 -0.047 0.000 0.998 771 E CA 1.111 57.473 56.400 -0.064 0.000 0.806 771 E CB -0.095 29.558 29.700 -0.079 0.000 0.738 771 E HN 0.373 nan 8.360 nan 0.000 0.459 772 V N 0.358 120.222 119.914 -0.084 0.000 2.379 772 V HA -0.162 3.968 4.120 0.017 0.000 0.243 772 V C 2.283 178.320 176.094 -0.096 0.000 1.035 772 V CA 0.844 63.078 62.300 -0.111 0.000 1.035 772 V CB -0.098 31.604 31.823 -0.203 0.000 0.673 772 V HN 0.106 nan 8.190 nan 0.000 0.457 773 V N -0.189 119.667 119.914 -0.097 0.000 2.317 773 V HA -0.398 3.732 4.120 0.017 0.000 0.251 773 V C 2.619 178.734 176.094 0.036 0.000 1.065 773 V CA 2.504 64.779 62.300 -0.042 0.000 1.049 773 V CB -0.862 30.929 31.823 -0.054 0.000 0.651 773 V HN 0.817 nan 8.190 nan 0.000 0.450 774 C N -0.259 119.055 119.300 0.023 0.000 2.436 774 C HA -0.168 4.302 4.460 0.017 0.000 0.277 774 C C 2.529 177.581 174.990 0.105 0.000 1.241 774 C CA 1.447 60.492 59.018 0.046 0.000 1.721 774 C CB -0.970 26.783 27.740 0.021 0.000 2.043 774 C HN 0.568 nan 8.230 nan 0.000 0.472 775 I N -0.249 120.411 120.570 0.150 0.000 2.315 775 I HA -0.098 4.082 4.170 0.017 0.000 0.248 775 I C 2.166 178.453 176.117 0.282 0.000 1.117 775 I CA 1.515 62.939 61.300 0.207 0.000 1.404 775 I CB -0.415 37.729 38.000 0.240 0.000 1.071 775 I HN 0.248 nan 8.210 nan 0.000 0.419 776 F N -0.187 119.778 119.950 0.025 0.000 2.325 776 F HA -0.117 4.420 4.527 0.017 0.000 0.299 776 F C 2.112 177.930 175.800 0.029 0.000 1.090 776 F CA 0.842 58.860 58.000 0.031 0.000 1.392 776 F CB -0.622 38.395 39.000 0.028 0.000 1.053 776 F HN -0.010 nan 8.300 nan 0.000 0.521 777 L N -0.084 121.256 121.223 0.196 0.000 2.217 777 L HA -0.126 4.224 4.340 0.017 0.000 0.211 777 L C 2.479 179.398 176.870 0.082 0.000 1.107 777 L CA 1.893 56.800 54.840 0.112 0.000 0.783 777 L CB -0.984 41.121 42.059 0.077 0.000 0.919 777 L HN 0.275 nan 8.230 nan 0.000 0.442 778 T N -3.313 111.289 114.554 0.080 0.000 2.668 778 T HA -0.073 4.287 4.350 0.017 0.000 0.258 778 T C 1.964 176.681 174.700 0.027 0.000 1.051 778 T CA 0.820 62.955 62.100 0.058 0.000 1.155 778 T CB -1.039 67.865 68.868 0.061 0.000 0.864 778 T HN 0.254 nan 8.240 nan 0.000 0.413 779 A N 1.938 124.759 122.820 0.001 0.000 1.986 779 A HA 0.178 4.508 4.320 0.017 0.000 0.220 779 A C 2.680 180.249 177.584 -0.026 0.000 1.171 779 A CA 2.220 54.229 52.037 -0.047 0.000 0.640 779 A CB -1.306 17.614 19.000 -0.134 0.000 0.811 779 A HN 0.794 nan 8.150 nan 0.000 0.451 780 A N -1.109 121.707 122.820 -0.007 0.000 1.861 780 A HA 0.203 4.533 4.320 0.017 0.000 0.212 780 A C 1.942 179.547 177.584 0.036 0.000 1.199 780 A CA 1.240 53.286 52.037 0.015 0.000 0.613 780 A CB -0.618 18.404 19.000 0.037 0.000 0.846 780 A HN 0.534 nan 8.150 nan 0.000 0.446 781 L N -0.261 120.988 121.223 0.044 0.000 2.353 781 L HA 0.114 4.464 4.340 0.017 0.000 0.220 781 L C 1.371 178.267 176.870 0.045 0.000 1.133 781 L CA 1.491 56.358 54.840 0.046 0.000 0.798 781 L CB -0.619 41.471 42.059 0.051 0.000 0.922 781 L HN 0.824 nan 8.230 nan 0.000 0.445 782 G N -0.536 108.290 108.800 0.043 0.000 2.303 782 G HA2 -0.220 3.750 3.960 0.017 0.000 0.260 782 G HA3 -0.220 3.750 3.960 0.017 0.000 0.260 782 G C -0.044 174.878 174.900 0.036 0.000 1.106 782 G CA 0.265 45.398 45.100 0.055 0.000 0.900 782 G HN 0.286 nan 8.290 nan 0.000 0.495 783 L N -0.405 120.826 121.223 0.014 0.000 2.365 783 L HA 0.608 4.958 4.340 0.017 0.000 0.267 783 L C -1.503 175.338 176.870 -0.048 0.000 1.033 783 L CA -2.516 52.324 54.840 0.001 0.000 0.802 783 L CB 1.097 43.191 42.059 0.058 0.000 1.267 783 L HN -0.019 nan 8.230 nan 0.000 0.457 784 P HA 0.043 nan 4.420 nan 0.000 0.267 784 P C -0.883 176.452 177.300 0.058 0.000 1.200 784 P CA -0.235 62.852 63.100 -0.021 0.000 0.772 784 P CB 0.286 32.050 31.700 0.107 0.000 0.855 785 E N 0.758 120.970 120.200 0.019 0.000 2.508 785 E HA 0.009 4.369 4.350 0.017 0.000 0.266 785 E C 0.673 177.336 176.600 0.105 0.000 1.010 785 E CA 0.306 56.736 56.400 0.049 0.000 0.955 785 E CB 0.352 30.077 29.700 0.041 0.000 0.946 785 E HN 0.489 nan 8.360 nan 0.000 0.454 786 A N 3.860 126.735 122.820 0.091 0.000 2.140 786 A HA 0.217 4.547 4.320 0.017 0.000 0.209 786 A C 0.521 178.145 177.584 0.065 0.000 1.181 786 A CA 0.315 52.407 52.037 0.092 0.000 0.824 786 A CB 0.428 19.480 19.000 0.086 0.000 0.879 786 A HN 0.442 nan 8.150 nan 0.000 0.480 787 L N -1.521 119.739 121.223 0.062 0.000 2.491 787 L HA 0.616 4.966 4.340 0.017 0.000 0.254 787 L C -0.985 175.918 176.870 0.055 0.000 1.048 787 L CA -0.621 54.254 54.840 0.058 0.000 0.855 787 L CB 2.108 44.200 42.059 0.055 0.000 1.466 787 L HN 0.122 nan 8.230 nan 0.000 0.409 788 I N 0.191 120.796 120.570 0.058 0.000 3.108 788 I HA 0.348 4.528 4.170 0.017 0.000 0.312 788 I C -1.765 174.347 176.117 -0.008 0.000 1.095 788 I CA -2.156 59.172 61.300 0.047 0.000 1.000 788 I CB 3.327 41.386 38.000 0.098 0.000 1.229 788 I HN 0.363 nan 8.210 nan 0.000 0.454 789 P HA -0.164 nan 4.420 nan 0.000 0.216 789 P C 1.364 178.659 177.300 -0.008 0.000 1.154 789 P CA 1.231 64.266 63.100 -0.109 0.000 0.865 789 P CB 0.123 31.716 31.700 -0.178 0.000 0.789 790 V N -0.659 119.273 119.914 0.029 0.000 2.488 790 V HA -0.182 3.948 4.120 0.017 0.000 0.246 790 V C 2.421 178.673 176.094 0.263 0.000 1.046 790 V CA 1.463 63.822 62.300 0.099 0.000 1.053 790 V CB -1.422 30.382 31.823 -0.032 0.000 0.679 790 V HN 0.140 nan 8.190 nan 0.000 0.458 791 Q N 0.070 120.008 119.800 0.230 0.000 2.170 791 Q HA -0.145 4.205 4.340 0.017 0.000 0.203 791 Q C 2.308 178.454 176.000 0.243 0.000 0.976 791 Q CA 1.484 57.457 55.803 0.284 0.000 0.858 791 Q CB -0.272 28.574 28.738 0.179 0.000 0.907 791 Q HN 0.545 nan 8.270 nan 0.000 0.433 792 L N 0.260 121.568 121.223 0.141 0.000 2.027 792 L HA -0.187 4.163 4.340 0.017 0.000 0.206 792 L C 2.288 179.225 176.870 0.111 0.000 1.074 792 L CA 0.924 55.818 54.840 0.091 0.000 0.745 792 L CB -0.387 41.686 42.059 0.022 0.000 0.898 792 L HN 0.254 nan 8.230 nan 0.000 0.433 793 L N -1.428 119.879 121.223 0.140 0.000 2.127 793 L HA -0.274 4.076 4.340 0.017 0.000 0.211 793 L C 2.432 179.441 176.870 0.231 0.000 1.089 793 L CA 1.337 56.269 54.840 0.154 0.000 0.757 793 L CB -0.612 41.541 42.059 0.157 0.000 0.899 793 L HN 0.534 nan 8.230 nan 0.000 0.434 794 W N 1.229 122.621 121.300 0.153 0.000 2.380 794 W HA -0.184 4.486 4.660 0.017 0.000 0.317 794 W C 2.354 178.918 176.519 0.076 0.000 1.196 794 W CA 2.182 59.616 57.345 0.149 0.000 1.307 794 W CB -0.171 29.387 29.460 0.163 0.000 1.157 794 W HN 0.062 nan 8.180 nan 0.000 0.483 795 V N 0.765 120.723 119.914 0.073 0.000 2.439 795 V HA -0.364 3.766 4.120 0.017 0.000 0.253 795 V C 2.008 178.016 176.094 -0.142 0.000 1.074 795 V CA 2.526 64.775 62.300 -0.085 0.000 1.076 795 V CB -1.758 30.057 31.823 -0.013 0.000 0.664 795 V HN 0.250 nan 8.190 nan 0.000 0.461 796 N N 0.778 119.430 118.700 -0.081 0.000 2.080 796 N HA -0.154 4.596 4.740 0.017 0.000 0.189 796 N C 1.675 177.115 175.510 -0.116 0.000 1.036 796 N CA 1.662 54.665 53.050 -0.079 0.000 0.846 796 N CB -0.417 38.052 38.487 -0.031 0.000 1.015 796 N HN 0.426 nan 8.380 nan 0.000 0.423 797 L N -0.093 121.042 121.223 -0.146 0.000 2.089 797 L HA -0.079 4.271 4.340 0.017 0.000 0.213 797 L C 1.712 178.420 176.870 -0.270 0.000 1.079 797 L CA 1.592 56.320 54.840 -0.187 0.000 0.758 797 L CB -0.477 41.439 42.059 -0.239 0.000 0.891 797 L HN 0.155 nan 8.230 nan 0.000 0.433 798 V N -1.525 118.144 119.914 -0.408 0.000 3.621 798 V HA -0.005 4.125 4.120 0.017 0.000 0.263 798 V C 2.061 178.043 176.094 -0.186 0.000 1.272 798 V CA 1.171 63.239 62.300 -0.388 0.000 1.080 798 V CB 0.176 31.582 31.823 -0.696 0.000 0.816 798 V HN 0.736 nan 8.190 nan 0.000 0.451 799 T N -4.558 109.915 114.554 -0.135 0.000 3.000 799 T HA 0.062 4.422 4.350 0.017 0.000 0.248 799 T C 0.959 175.686 174.700 0.045 0.000 1.034 799 T CA 0.435 62.525 62.100 -0.016 0.000 1.060 799 T CB 0.067 68.910 68.868 -0.042 0.000 0.983 799 T HN 0.247 nan 8.240 nan 0.000 0.482 800 D N 1.358 121.744 120.400 -0.024 0.000 2.368 800 D HA 0.388 5.038 4.640 0.017 0.000 0.218 800 D C 1.270 177.592 176.300 0.035 0.000 1.112 800 D CA 0.034 54.030 54.000 -0.006 0.000 0.834 800 D CB 0.394 41.160 40.800 -0.057 0.000 0.953 800 D HN 0.570 nan 8.370 nan 0.000 0.505 801 G N -0.181 108.635 108.800 0.028 0.000 3.434 801 G HA2 0.126 4.096 3.960 0.017 0.000 0.192 801 G HA3 0.126 4.096 3.960 0.017 0.000 0.192 801 G C 0.941 175.874 174.900 0.054 0.000 1.704 801 G CA -0.252 44.869 45.100 0.036 0.000 0.936 801 G HN 0.036 nan 8.290 nan 0.000 0.623 802 L N 1.846 123.081 121.223 0.020 0.000 2.127 802 L HA 0.040 4.390 4.340 0.017 0.000 0.211 802 L C -0.053 176.817 176.870 -0.000 0.000 1.089 802 L CA 1.585 56.432 54.840 0.011 0.000 0.757 802 L CB -1.477 40.575 42.059 -0.011 0.000 0.899 802 L HN 0.220 nan 8.230 nan 0.000 0.434 803 P HA -0.130 nan 4.420 nan 0.000 0.218 803 P C 1.478 178.676 177.300 -0.171 0.000 1.148 803 P CA 1.734 64.768 63.100 -0.111 0.000 0.822 803 P CB 0.078 31.703 31.700 -0.126 0.000 0.784 804 A N -1.039 121.769 122.820 -0.020 0.000 1.843 804 A HA -0.088 4.242 4.320 0.017 0.000 0.213 804 A C 2.229 180.013 177.584 0.333 0.000 1.202 804 A CA 1.969 54.063 52.037 0.096 0.000 0.607 804 A CB -1.751 17.332 19.000 0.138 0.000 0.847 804 A HN 0.093 nan 8.150 nan 0.000 0.445 805 T N 0.833 115.566 114.554 0.298 0.000 2.778 805 T HA -0.125 4.235 4.350 0.017 0.000 0.269 805 T C 2.094 176.912 174.700 0.196 0.000 1.050 805 T CA 1.612 63.847 62.100 0.226 0.000 1.137 805 T CB -0.472 68.467 68.868 0.119 0.000 0.860 805 T HN 0.589 nan 8.240 nan 0.000 0.468 806 A N 1.775 124.670 122.820 0.124 0.000 1.908 806 A HA -0.052 4.278 4.320 0.017 0.000 0.218 806 A C 2.146 179.854 177.584 0.206 0.000 1.181 806 A CA 1.087 53.192 52.037 0.113 0.000 0.627 806 A CB -0.749 18.276 19.000 0.043 0.000 0.818 806 A HN 0.353 nan 8.150 nan 0.000 0.445 807 L N -0.072 121.238 121.223 0.145 0.000 2.137 807 L HA -0.212 4.138 4.340 0.017 0.000 0.213 807 L C 2.642 179.589 176.870 0.128 0.000 1.085 807 L CA 1.952 56.867 54.840 0.124 0.000 0.760 807 L CB -2.098 40.038 42.059 0.127 0.000 0.893 807 L HN 0.473 nan 8.230 nan 0.000 0.434 808 G N -1.677 107.197 108.800 0.124 0.000 2.499 808 G HA2 -0.279 3.691 3.960 0.017 0.000 0.221 808 G HA3 -0.279 3.691 3.960 0.017 0.000 0.221 808 G C 1.236 176.015 174.900 -0.201 0.000 1.109 808 G CA 0.269 45.331 45.100 -0.064 0.000 0.749 808 G HN 0.417 nan 8.290 nan 0.000 0.568 809 F N 0.634 120.531 119.950 -0.088 0.000 2.645 809 F HA 0.303 4.841 4.527 0.017 0.000 0.300 809 F C 0.838 176.647 175.800 0.015 0.000 1.115 809 F CA -1.039 56.911 58.000 -0.083 0.000 1.355 809 F CB -0.010 38.863 39.000 -0.212 0.000 1.026 809 F HN -0.138 nan 8.300 nan 0.000 0.536 810 N N 2.744 121.521 118.700 0.129 0.000 2.374 810 N HA 0.047 4.797 4.740 0.017 0.000 0.241 810 N C -2.213 173.337 175.510 0.066 0.000 1.262 810 N CA -1.017 52.087 53.050 0.091 0.000 0.880 810 N CB 0.156 38.671 38.487 0.048 0.000 1.105 810 N HN 0.000 nan 8.380 nan 0.000 0.438 811 P HA 0.281 nan 4.420 nan 0.000 0.278 811 P C -2.615 174.698 177.300 0.023 0.000 1.266 811 P CA -1.153 61.975 63.100 0.046 0.000 0.807 811 P CB -0.307 31.420 31.700 0.045 0.000 1.094 812 P HA 0.067 nan 4.420 nan 0.000 0.268 812 P C -0.153 177.153 177.300 0.010 0.000 1.204 812 P CA 0.386 63.492 63.100 0.011 0.000 0.768 812 P CB 0.085 31.790 31.700 0.009 0.000 0.842 813 D N 1.332 121.739 120.400 0.012 0.000 2.390 813 D HA -0.045 4.605 4.640 0.017 0.000 0.236 813 D C 1.398 177.700 176.300 0.004 0.000 1.189 813 D CA 0.006 54.011 54.000 0.009 0.000 0.887 813 D CB 0.477 41.287 40.800 0.017 0.000 1.198 813 D HN 0.253 nan 8.370 nan 0.000 0.444 814 L N 1.300 122.522 121.223 -0.002 0.000 2.201 814 L HA -0.052 4.298 4.340 0.017 0.000 0.212 814 L C 1.186 178.054 176.870 -0.004 0.000 1.105 814 L CA 0.872 55.710 54.840 -0.004 0.000 0.775 814 L CB -0.109 41.945 42.059 -0.008 0.000 0.913 814 L HN 0.514 nan 8.230 nan 0.000 0.440 815 D N -0.664 119.733 120.400 -0.006 0.000 2.395 815 D HA 0.074 4.724 4.640 0.017 0.000 0.213 815 D C 1.938 178.234 176.300 -0.006 0.000 1.110 815 D CA 0.047 54.041 54.000 -0.009 0.000 0.835 815 D CB 0.658 41.448 40.800 -0.018 0.000 0.965 815 D HN 0.246 nan 8.370 nan 0.000 0.505 816 I N 0.321 120.892 120.570 0.001 0.000 2.185 816 I HA -0.266 3.914 4.170 0.017 0.000 0.246 816 I C 1.175 177.290 176.117 -0.002 0.000 1.088 816 I CA 1.201 62.504 61.300 0.005 0.000 1.347 816 I CB 0.253 38.260 38.000 0.011 0.000 1.041 816 I HN -0.094 nan 8.210 nan 0.000 0.415 817 M N -0.234 119.363 119.600 -0.005 0.000 2.637 817 M HA 0.107 4.597 4.480 0.017 0.000 0.286 817 M C 0.197 176.491 176.300 -0.009 0.000 1.246 817 M CA 0.572 55.868 55.300 -0.008 0.000 0.978 817 M CB -0.470 32.127 32.600 -0.005 0.000 1.417 817 M HN 0.177 nan 8.290 nan 0.000 0.487 818 D N 0.449 120.841 120.400 -0.012 0.000 2.500 818 D HA 0.132 4.782 4.640 0.017 0.000 0.218 818 D C 0.535 176.823 176.300 -0.021 0.000 1.140 818 D CA 0.158 54.149 54.000 -0.016 0.000 0.830 818 D CB 1.379 42.170 40.800 -0.016 0.000 1.055 818 D HN 0.371 nan 8.370 nan 0.000 0.512 819 R N 1.732 122.219 120.500 -0.022 0.000 2.536 819 R HA 0.526 4.876 4.340 0.017 0.000 0.279 819 R C -2.661 173.622 176.300 -0.028 0.000 1.001 819 R CA -1.546 54.537 56.100 -0.028 0.000 1.027 819 R CB 0.142 30.424 30.300 -0.030 0.000 1.096 819 R HN -0.231 nan 8.270 nan 0.000 0.502 820 P HA 0.117 nan 4.420 nan 0.000 0.271 820 P C -2.359 174.917 177.300 -0.040 0.000 1.244 820 P CA -1.108 61.974 63.100 -0.031 0.000 0.793 820 P CB -0.560 31.122 31.700 -0.030 0.000 0.984 821 P HA 0.118 nan 4.420 nan 0.000 0.271 821 P C 0.030 177.285 177.300 -0.075 0.000 1.218 821 P CA -0.036 63.028 63.100 -0.060 0.000 0.780 821 P CB 0.416 32.084 31.700 -0.052 0.000 0.901 822 R N 1.971 122.400 120.500 -0.119 0.000 2.537 822 R HA 0.193 4.543 4.340 0.017 0.000 0.280 822 R C 0.295 176.524 176.300 -0.118 0.000 1.058 822 R CA -0.247 55.766 56.100 -0.145 0.000 1.057 822 R CB 0.182 30.309 30.300 -0.289 0.000 0.973 822 R HN 0.502 nan 8.270 nan 0.000 0.438 823 S N 4.273 119.925 115.700 -0.079 0.000 2.560 823 S HA 0.133 4.613 4.470 0.017 0.000 0.284 823 S C -1.597 172.959 174.600 -0.073 0.000 1.327 823 S CA -1.312 56.855 58.200 -0.055 0.000 1.055 823 S CB 1.019 64.203 63.200 -0.026 0.000 0.868 823 S HN 0.678 nan 8.310 nan 0.000 0.506 824 P HA 0.099 nan 4.420 nan 0.000 0.227 824 P C 0.275 177.560 177.300 -0.025 0.000 1.161 824 P CA 0.753 63.820 63.100 -0.055 0.000 0.788 824 P CB 0.120 31.799 31.700 -0.035 0.000 0.822 825 K N 0.013 120.406 120.400 -0.012 0.000 2.500 825 K HA 0.168 4.498 4.320 0.017 0.000 0.206 825 K C 0.308 176.914 176.600 0.009 0.000 1.034 825 K CA -0.066 56.224 56.287 0.004 0.000 1.179 825 K CB 0.021 32.525 32.500 0.007 0.000 0.884 825 K HN 0.191 nan 8.250 nan 0.000 0.493 826 E N 2.061 122.262 120.200 0.002 0.000 2.383 826 E HA 0.130 4.490 4.350 0.017 0.000 0.264 826 E C -2.164 174.460 176.600 0.040 0.000 1.050 826 E CA -2.519 53.891 56.400 0.016 0.000 0.896 826 E CB 0.053 29.756 29.700 0.006 0.000 0.982 826 E HN 0.040 nan 8.360 nan 0.000 0.424 827 P HA -0.070 nan 4.420 nan 0.000 0.263 827 P C 0.944 178.284 177.300 0.066 0.000 1.195 827 P CA -0.156 62.971 63.100 0.046 0.000 0.762 827 P CB 0.552 32.275 31.700 0.038 0.000 0.799 828 L N 5.437 126.694 121.223 0.056 0.000 1.978 828 L HA -0.121 4.229 4.340 0.017 0.000 0.218 828 L C 0.870 177.749 176.870 0.014 0.000 1.075 828 L CA 1.865 56.731 54.840 0.044 0.000 0.767 828 L CB -0.679 41.359 42.059 -0.034 0.000 0.890 828 L HN 0.325 nan 8.230 nan 0.000 0.434 829 I N 0.225 120.790 120.570 -0.009 0.000 2.312 829 I HA 0.139 4.319 4.170 0.017 0.000 0.290 829 I C 0.465 176.603 176.117 0.034 0.000 1.008 829 I CA -0.297 61.012 61.300 0.015 0.000 1.226 829 I CB 1.208 39.234 38.000 0.043 0.000 1.371 829 I HN 0.083 nan 8.210 nan 0.000 0.468 830 S N 4.277 120.012 115.700 0.059 0.000 2.562 830 S HA 0.159 4.638 4.470 0.017 0.000 0.281 830 S C 1.524 176.180 174.600 0.093 0.000 1.333 830 S CA 0.090 58.348 58.200 0.097 0.000 1.052 830 S CB 1.183 64.481 63.200 0.165 0.000 0.884 830 S HN 0.847 nan 8.310 nan 0.000 0.506 831 G N 3.681 112.549 108.800 0.112 0.000 2.505 831 G HA2 -0.262 3.708 3.960 0.017 0.000 0.220 831 G HA3 -0.262 3.708 3.960 0.017 0.000 0.220 831 G C 1.060 176.081 174.900 0.200 0.000 1.145 831 G CA 1.013 46.191 45.100 0.130 0.000 0.761 831 G HN 0.902 nan 8.290 nan 0.000 0.571 832 W N 0.908 122.252 121.300 0.074 0.000 2.418 832 W HA 0.157 4.827 4.660 0.017 0.000 0.292 832 W C 2.296 178.870 176.519 0.092 0.000 1.213 832 W CA 0.787 58.193 57.345 0.102 0.000 1.283 832 W CB -0.199 29.327 29.460 0.110 0.000 1.119 832 W HN 0.137 nan 8.180 nan 0.000 0.542 833 L N -0.635 120.504 121.223 -0.140 0.000 2.056 833 L HA -0.178 4.172 4.340 0.017 0.000 0.207 833 L C 2.448 178.765 176.870 -0.923 0.000 1.078 833 L CA 1.252 55.765 54.840 -0.545 0.000 0.749 833 L CB -1.101 40.769 42.059 -0.316 0.000 0.901 833 L HN -0.065 nan 8.230 nan 0.000 0.433 834 F N 0.279 119.794 119.950 -0.725 0.000 2.115 834 F HA -0.356 4.181 4.527 0.017 0.000 0.300 834 F C 2.318 177.912 175.800 -0.344 0.000 1.092 834 F CA 1.648 59.312 58.000 -0.560 0.000 1.245 834 F CB -0.444 38.442 39.000 -0.190 0.000 0.995 834 F HN 0.029 nan 8.300 nan 0.000 0.481 835 F N 1.031 120.754 119.950 -0.378 0.000 2.095 835 F HA -0.202 4.335 4.527 0.017 0.000 0.298 835 F C 2.713 178.235 175.800 -0.463 0.000 1.104 835 F CA 2.273 60.045 58.000 -0.380 0.000 1.232 835 F CB -0.762 38.051 39.000 -0.311 0.000 0.987 835 F HN -0.070 nan 8.300 nan 0.000 0.475 836 R N -1.031 119.053 120.500 -0.695 0.000 2.096 836 R HA -0.215 4.135 4.340 0.017 0.000 0.235 836 R C 2.263 178.357 176.300 -0.344 0.000 1.127 836 R CA 1.820 57.543 56.100 -0.629 0.000 0.968 836 R CB -0.638 29.242 30.300 -0.700 0.000 0.861 836 R HN 0.329 nan 8.270 nan 0.000 0.440 837 Y N -0.141 119.907 120.300 -0.419 0.000 2.207 837 Y HA -0.196 4.364 4.550 0.017 0.000 0.287 837 Y C 2.195 177.853 175.900 -0.402 0.000 1.156 837 Y CA 0.855 58.740 58.100 -0.357 0.000 1.182 837 Y CB -0.436 37.824 38.460 -0.334 0.000 0.979 837 Y HN 0.097 nan 8.280 nan 0.000 0.521 838 M N -0.751 118.622 119.600 -0.378 0.000 2.193 838 M HA 0.016 4.506 4.480 0.017 0.000 0.265 838 M C 2.501 178.584 176.300 -0.362 0.000 1.071 838 M CA 1.188 56.256 55.300 -0.387 0.000 1.140 838 M CB -1.621 30.711 32.600 -0.448 0.000 1.369 838 M HN 0.205 nan 8.290 nan 0.000 0.423 839 A N 1.278 123.777 122.820 -0.534 0.000 1.873 839 A HA -0.183 4.147 4.320 0.017 0.000 0.218 839 A C 2.162 179.632 177.584 -0.189 0.000 1.193 839 A CA 1.670 53.459 52.037 -0.414 0.000 0.629 839 A CB -0.763 17.922 19.000 -0.525 0.000 0.826 839 A HN 0.354 nan 8.150 nan 0.000 0.447 840 I N -0.220 120.246 120.570 -0.174 0.000 2.163 840 I HA -0.168 4.012 4.170 0.017 0.000 0.240 840 I C 2.803 178.889 176.117 -0.053 0.000 1.081 840 I CA 1.547 62.798 61.300 -0.082 0.000 1.353 840 I CB -2.123 35.826 38.000 -0.086 0.000 1.054 840 I HN 0.368 nan 8.210 nan 0.000 0.407 841 G N 0.745 109.478 108.800 -0.111 0.000 2.505 841 G HA2 -0.249 3.721 3.960 0.017 0.000 0.220 841 G HA3 -0.249 3.721 3.960 0.017 0.000 0.220 841 G C 1.726 176.579 174.900 -0.079 0.000 1.145 841 G CA 1.107 46.140 45.100 -0.112 0.000 0.761 841 G HN 0.502 nan 8.290 nan 0.000 0.571 842 G N -0.411 108.343 108.800 -0.078 0.000 2.404 842 G HA2 -0.213 3.757 3.960 0.017 0.000 0.215 842 G HA3 -0.213 3.757 3.960 0.017 0.000 0.215 842 G C 1.642 176.533 174.900 -0.014 0.000 1.174 842 G CA 0.989 46.059 45.100 -0.051 0.000 0.780 842 G HN 0.433 nan 8.290 nan 0.000 0.537 843 Y N 1.040 121.292 120.300 -0.081 0.000 2.207 843 Y HA -0.137 4.423 4.550 0.017 0.000 0.287 843 Y C 2.816 178.686 175.900 -0.050 0.000 1.156 843 Y CA 1.585 59.650 58.100 -0.057 0.000 1.182 843 Y CB -0.088 38.338 38.460 -0.056 0.000 0.979 843 Y HN 0.047 nan 8.280 nan 0.000 0.521 844 V N -0.364 119.584 119.914 0.056 0.000 2.307 844 V HA -0.229 3.901 4.120 0.017 0.000 0.245 844 V C 2.595 178.641 176.094 -0.080 0.000 1.045 844 V CA 1.894 64.190 62.300 -0.006 0.000 1.024 844 V CB -1.463 30.359 31.823 -0.001 0.000 0.651 844 V HN 0.600 nan 8.190 nan 0.000 0.449 845 G N -0.367 108.390 108.800 -0.072 0.000 2.440 845 G HA2 -0.218 3.752 3.960 0.017 0.000 0.218 845 G HA3 -0.218 3.752 3.960 0.017 0.000 0.218 845 G C 1.697 176.552 174.900 -0.074 0.000 1.154 845 G CA 1.092 46.157 45.100 -0.060 0.000 0.767 845 G HN 0.612 nan 8.290 nan 0.000 0.552 846 A N 0.724 123.470 122.820 -0.123 0.000 1.970 846 A HA 0.494 4.824 4.320 0.017 0.000 0.216 846 A C 2.684 180.143 177.584 -0.209 0.000 1.170 846 A CA 1.714 53.666 52.037 -0.142 0.000 0.645 846 A CB -0.439 18.470 19.000 -0.152 0.000 0.816 846 A HN 0.686 nan 8.150 nan 0.000 0.447 847 A N -1.336 121.279 122.820 -0.340 0.000 2.014 847 A HA -0.018 4.312 4.320 0.017 0.000 0.218 847 A C 2.258 179.746 177.584 -0.159 0.000 1.163 847 A CA 2.124 53.950 52.037 -0.351 0.000 0.652 847 A CB -0.776 17.927 19.000 -0.495 0.000 0.808 847 A HN 0.450 nan 8.150 nan 0.000 0.449 848 T N -1.742 112.749 114.554 -0.105 0.000 3.031 848 T HA 0.008 4.368 4.350 0.017 0.000 0.254 848 T C 1.731 176.430 174.700 -0.001 0.000 1.060 848 T CA 1.379 63.451 62.100 -0.046 0.000 1.135 848 T CB -0.233 68.614 68.868 -0.035 0.000 0.896 848 T HN 0.061 nan 8.240 nan 0.000 0.472 849 V N 1.364 121.281 119.914 0.005 0.000 2.358 849 V HA 0.070 4.200 4.120 0.017 0.000 0.246 849 V C 2.997 179.139 176.094 0.080 0.000 1.047 849 V CA 1.877 64.209 62.300 0.055 0.000 1.035 849 V CB -1.283 30.570 31.823 0.050 0.000 0.658 849 V HN 0.610 nan 8.190 nan 0.000 0.452 850 G N -0.441 108.379 108.800 0.034 0.000 2.479 850 G HA2 -0.175 3.795 3.960 0.017 0.000 0.220 850 G HA3 -0.175 3.795 3.960 0.017 0.000 0.220 850 G C 1.671 176.642 174.900 0.119 0.000 1.115 850 G CA 1.073 46.209 45.100 0.059 0.000 0.757 850 G HN 0.602 nan 8.290 nan 0.000 0.560 851 A N 1.015 123.881 122.820 0.078 0.000 1.872 851 A HA 0.420 4.750 4.320 0.017 0.000 0.214 851 A C 2.793 180.526 177.584 0.248 0.000 1.187 851 A CA 1.898 53.998 52.037 0.105 0.000 0.614 851 A CB -0.692 18.306 19.000 -0.003 0.000 0.826 851 A HN 0.655 nan 8.150 nan 0.000 0.442 852 A N -0.029 122.913 122.820 0.204 0.000 1.898 852 A HA 0.210 4.540 4.320 0.017 0.000 0.216 852 A C 2.490 180.310 177.584 0.394 0.000 1.181 852 A CA 1.931 54.110 52.037 0.237 0.000 0.620 852 A CB -1.008 18.120 19.000 0.214 0.000 0.819 852 A HN 1.011 nan 8.150 nan 0.000 0.442 853 A N -1.389 121.672 122.820 0.402 0.000 1.908 853 A HA -0.215 4.114 4.320 0.017 0.000 0.218 853 A C 2.022 179.835 177.584 0.381 0.000 1.181 853 A CA 1.610 53.899 52.037 0.420 0.000 0.627 853 A CB -0.991 18.175 19.000 0.277 0.000 0.818 853 A HN 0.883 nan 8.150 nan 0.000 0.445 854 W N -0.236 121.168 121.300 0.174 0.000 2.374 854 W HA -0.168 4.502 4.660 0.017 0.000 0.288 854 W C 2.128 178.747 176.519 0.166 0.000 1.218 854 W CA 1.607 59.041 57.345 0.149 0.000 1.245 854 W CB -0.237 29.270 29.460 0.078 0.000 1.126 854 W HN 0.565 nan 8.180 nan 0.000 0.545 855 W N 0.626 122.068 121.300 0.237 0.000 2.354 855 W HA -0.270 4.400 4.660 0.017 0.000 0.315 855 W C 1.599 177.990 176.519 -0.214 0.000 1.206 855 W CA 1.806 59.101 57.345 -0.082 0.000 1.290 855 W CB -1.408 27.968 29.460 -0.140 0.000 1.152 855 W HN -0.055 nan 8.180 nan 0.000 0.489 856 F N 0.775 120.647 119.950 -0.130 0.000 2.051 856 F HA -0.232 4.305 4.527 0.017 0.000 0.296 856 F C 2.844 178.457 175.800 -0.312 0.000 1.122 856 F CA 2.528 60.397 58.000 -0.218 0.000 1.201 856 F CB -1.189 37.871 39.000 0.099 0.000 0.978 856 F HN -0.191 nan 8.300 nan 0.000 0.472 857 M N -2.452 117.160 119.600 0.020 0.000 2.276 857 M HA -0.128 4.362 4.480 0.017 0.000 0.262 857 M C 2.041 178.244 176.300 -0.162 0.000 1.098 857 M CA 1.466 56.748 55.300 -0.030 0.000 1.167 857 M CB -0.552 32.094 32.600 0.076 0.000 1.337 857 M HN 0.148 nan 8.290 nan 0.000 0.446 858 Y N 0.517 120.552 120.300 -0.442 0.000 2.510 858 Y HA 0.444 5.004 4.550 0.017 0.000 0.273 858 Y C 0.791 176.222 175.900 -0.782 0.000 1.119 858 Y CA -0.374 57.403 58.100 -0.539 0.000 1.286 858 Y CB 0.256 38.415 38.460 -0.503 0.000 1.061 858 Y HN 0.065 nan 8.280 nan 0.000 0.542 859 A N 1.002 123.227 122.820 -0.991 0.000 2.401 859 A HA 0.124 4.454 4.320 0.017 0.000 0.259 859 A C 1.002 178.170 177.584 -0.693 0.000 1.103 859 A CA -0.173 51.234 52.037 -1.050 0.000 0.789 859 A CB 0.237 18.528 19.000 -1.181 0.000 1.035 859 A HN 0.617 nan 8.150 nan 0.000 0.491 860 E N 1.125 121.051 120.200 -0.457 0.000 2.204 860 E HA -0.144 4.216 4.350 0.017 0.000 0.194 860 E C 0.351 176.787 176.600 -0.274 0.000 0.989 860 E CA 1.218 57.431 56.400 -0.312 0.000 0.824 860 E CB 0.120 29.714 29.700 -0.175 0.000 0.756 860 E HN 0.723 nan 8.360 nan 0.000 0.477 861 D N 0.309 120.541 120.400 -0.280 0.000 2.271 861 D HA -0.005 4.645 4.640 0.017 0.000 0.206 861 D C 1.008 176.984 176.300 -0.539 0.000 0.967 861 D CA 0.384 54.261 54.000 -0.206 0.000 0.867 861 D CB -0.129 40.732 40.800 0.101 0.000 0.960 861 D HN 0.043 nan 8.370 nan 0.000 0.509 862 G N 2.183 110.245 108.800 -1.230 0.000 2.569 862 G HA2 0.279 4.249 3.960 0.017 0.000 0.249 862 G HA3 0.279 4.249 3.960 0.017 0.000 0.249 862 G C -2.360 172.134 174.900 -0.677 0.000 1.216 862 G CA -0.767 43.380 45.100 -1.588 0.000 0.845 862 G HN -0.060 nan 8.290 nan 0.000 0.568 863 P HA 0.082 nan 4.420 nan 0.000 0.267 863 P C 0.702 177.861 177.300 -0.236 0.000 1.200 863 P CA 0.121 63.091 63.100 -0.215 0.000 0.772 863 P CB 0.841 32.490 31.700 -0.085 0.000 0.855 864 G N 1.663 110.352 108.800 -0.185 0.000 3.474 864 G HA2 0.076 4.046 3.960 0.017 0.000 0.269 864 G HA3 0.076 4.046 3.960 0.017 0.000 0.269 864 G C 1.219 176.048 174.900 -0.119 0.000 1.339 864 G CA -0.276 44.715 45.100 -0.182 0.000 1.258 864 G HN 0.333 nan 8.290 nan 0.000 0.560 865 V N 0.601 120.467 119.914 -0.081 0.000 2.842 865 V HA -0.222 3.908 4.120 0.017 0.000 0.267 865 V C 1.826 177.882 176.094 -0.064 0.000 1.144 865 V CA 1.700 63.974 62.300 -0.044 0.000 1.156 865 V CB -1.555 30.271 31.823 0.004 0.000 0.731 865 V HN 0.689 nan 8.190 nan 0.000 0.509 866 T N -2.052 112.463 114.554 -0.065 0.000 0.541 866 T HA -0.277 4.083 4.350 0.017 0.000 0.774 866 T C -0.179 174.480 174.700 -0.067 0.000 0.992 866 T CA 0.986 63.050 62.100 -0.060 0.000 4.077 866 T CB -0.597 68.183 68.868 -0.147 0.000 2.303 866 T HN 0.773 nan 8.240 nan 0.000 0.398 867 Y N 0.605 120.868 120.300 -0.061 0.000 2.511 867 Y HA 0.373 4.933 4.550 0.017 0.000 0.347 867 Y C 1.454 177.277 175.900 -0.128 0.000 1.257 867 Y CA -0.235 57.776 58.100 -0.148 0.000 1.469 867 Y CB 0.063 38.368 38.460 -0.259 0.000 1.353 867 Y HN 0.834 nan 8.280 nan 0.000 0.617 868 H N 0.851 119.973 119.070 0.088 0.000 3.071 868 H HA -0.241 4.325 4.556 0.017 0.000 0.243 868 H C 1.103 176.382 175.328 -0.081 0.000 1.221 868 H CA 0.813 56.846 56.048 -0.026 0.000 1.109 868 H CB -1.472 28.225 29.762 -0.107 0.000 1.236 868 H HN 0.966 nan 8.280 nan 0.000 0.332 869 Q N 0.638 120.462 119.800 0.039 0.000 2.422 869 Q HA -0.262 4.087 4.340 0.017 0.000 0.245 869 Q C 0.853 176.844 176.000 -0.014 0.000 0.922 869 Q CA 1.265 57.072 55.803 0.007 0.000 1.192 869 Q CB -1.254 27.482 28.738 -0.003 0.000 1.641 869 Q HN 0.762 nan 8.270 nan 0.000 0.552 870 L N -1.825 119.377 121.223 -0.035 0.000 4.396 870 L HA -0.408 3.942 4.340 0.017 0.000 0.440 870 L C 0.769 177.545 176.870 -0.157 0.000 1.113 870 L CA 1.816 56.605 54.840 -0.085 0.000 0.975 870 L CB -2.309 39.735 42.059 -0.026 0.000 1.852 870 L HN 0.657 nan 8.230 nan 0.000 1.048 871 T N -3.819 110.641 114.554 -0.157 0.000 5.695 871 T HA -0.144 4.216 4.350 0.017 0.000 0.271 871 T C 0.225 174.600 174.700 -0.542 0.000 2.205 871 T CA 1.439 63.337 62.100 -0.336 0.000 3.761 871 T CB -0.520 68.079 68.868 -0.448 0.000 0.610 871 T HN 0.655 nan 8.240 nan 0.000 0.922 872 H N -2.214 116.840 119.070 -0.025 0.000 2.917 872 H HA 0.514 5.080 4.556 0.017 0.000 0.269 872 H C 0.045 175.375 175.328 0.003 0.000 1.488 872 H CA -0.180 55.875 56.048 0.011 0.000 1.173 872 H CB 0.042 29.805 29.762 0.001 0.000 1.868 872 H HN 0.111 nan 8.280 nan 0.000 0.600 873 F N 0.018 119.962 119.950 -0.011 0.000 2.727 873 F HA 0.197 4.734 4.527 0.017 0.000 0.302 873 F C 1.657 177.364 175.800 -0.155 0.000 1.107 873 F CA -0.015 57.791 58.000 -0.323 0.000 1.277 873 F CB 0.190 38.930 39.000 -0.433 0.000 1.079 873 F HN 0.133 nan 8.300 nan 0.000 0.594 874 M N 1.160 120.210 119.600 -0.916 0.000 2.201 874 M HA -0.317 4.173 4.480 0.017 0.000 0.251 874 M C 1.965 177.969 176.300 -0.494 0.000 1.090 874 M CA 1.578 56.337 55.300 -0.902 0.000 1.063 874 M CB -1.219 31.180 32.600 -0.336 0.000 1.360 874 M HN 0.397 nan 8.290 nan 0.000 0.401 875 Q N -0.725 118.969 119.800 -0.176 0.000 2.165 875 Q HA -0.255 4.095 4.340 0.017 0.000 0.215 875 Q C 1.945 177.852 176.000 -0.156 0.000 1.010 875 Q CA 1.553 57.380 55.803 0.040 0.000 0.896 875 Q CB -1.442 27.414 28.738 0.197 0.000 0.956 875 Q HN 0.732 nan 8.270 nan 0.000 0.413 876 C N -1.208 118.012 119.300 -0.132 0.000 0.178 876 C HA -0.306 4.164 4.460 0.017 0.000 0.017 876 C C 1.703 176.511 174.990 -0.305 0.000 0.173 876 C CA 2.463 61.385 59.018 -0.160 0.000 0.499 876 C CB -1.663 26.001 27.740 -0.126 0.000 3.212 876 C HN 0.839 nan 8.230 nan 0.000 1.118 877 T N 0.791 115.042 114.554 -0.504 0.000 2.801 877 T HA 0.278 4.638 4.350 0.017 0.000 0.324 877 T C 0.148 174.511 174.700 -0.563 0.000 1.088 877 T CA 0.408 62.273 62.100 -0.392 0.000 0.975 877 T CB 0.085 68.863 68.868 -0.151 0.000 1.316 877 T HN 0.974 nan 8.240 nan 0.000 0.533 878 E N 1.866 121.950 120.200 -0.194 0.000 1.939 878 E HA -0.057 4.303 4.350 0.017 0.000 0.259 878 E C -0.494 176.130 176.600 0.040 0.000 1.259 878 E CA 0.327 56.681 56.400 -0.076 0.000 0.971 878 E CB -0.919 28.763 29.700 -0.031 0.000 1.055 878 E HN 0.733 nan 8.360 nan 0.000 0.420 879 D N 3.476 123.900 120.400 0.039 0.000 4.150 879 D HA -0.140 4.510 4.640 0.017 0.000 0.231 879 D C -1.558 174.901 176.300 0.266 0.000 1.129 879 D CA 0.391 54.442 54.000 0.085 0.000 1.005 879 D CB -1.043 39.705 40.800 -0.086 0.000 0.691 879 D HN 0.680 nan 8.370 nan 0.000 0.320 880 H N 1.370 120.443 119.070 0.006 0.000 2.907 880 H HA 0.314 4.880 4.556 0.017 0.000 0.361 880 H C -1.965 173.368 175.328 0.009 0.000 1.194 880 H CA -1.871 54.172 56.048 -0.009 0.000 1.152 880 H CB 2.037 31.784 29.762 -0.026 0.000 1.867 880 H HN -0.010 nan 8.280 nan 0.000 0.561 881 P HA -0.256 nan 4.420 nan 0.000 0.020 881 P C -0.169 176.973 177.300 -0.263 0.000 0.587 881 P CA 0.991 64.041 63.100 -0.083 0.000 1.026 881 P CB -1.662 30.073 31.700 0.058 0.000 1.884 882 H N 0.369 119.267 119.070 -0.286 0.000 3.360 882 H HA -0.162 4.404 4.556 0.017 0.000 0.180 882 H C -0.571 174.524 175.328 -0.389 0.000 0.626 882 H CA -0.016 55.890 56.048 -0.236 0.000 1.371 882 H CB -0.679 28.970 29.762 -0.188 0.000 1.479 882 H HN 0.038 nan 8.280 nan 0.000 0.541 883 F N 4.311 124.256 119.950 -0.008 0.000 2.359 883 F HA 0.108 4.645 4.527 0.017 0.000 0.370 883 F C 0.569 176.332 175.800 -0.063 0.000 1.077 883 F CA -0.919 57.021 58.000 -0.100 0.000 1.136 883 F CB 0.926 39.905 39.000 -0.034 0.000 1.387 883 F HN 0.488 nan 8.300 nan 0.000 0.468 884 E N 1.914 122.112 120.200 -0.003 0.000 2.238 884 E HA -0.214 4.146 4.350 0.017 0.000 0.219 884 E C 1.004 177.696 176.600 0.155 0.000 1.275 884 E CA 0.564 56.986 56.400 0.036 0.000 0.714 884 E CB -0.983 28.738 29.700 0.034 0.000 1.154 884 E HN 0.829 nan 8.360 nan 0.000 0.363 885 G N 1.132 110.133 108.800 0.334 0.000 2.467 885 G HA2 0.047 4.017 3.960 0.017 0.000 0.283 885 G HA3 0.047 4.017 3.960 0.017 0.000 0.283 885 G C 1.002 175.991 174.900 0.150 0.000 0.615 885 G CA 0.559 45.820 45.100 0.269 0.000 2.098 885 G HN 0.338 nan 8.290 nan 0.000 0.546 886 L N -0.211 121.067 121.223 0.091 0.000 2.453 886 L HA 0.453 4.803 4.340 0.017 0.000 0.190 886 L C 0.159 177.032 176.870 0.005 0.000 1.093 886 L CA 0.786 55.651 54.840 0.042 0.000 0.834 886 L CB 0.376 42.451 42.059 0.026 0.000 1.090 886 L HN 0.109 nan 8.230 nan 0.000 0.489 887 D N -0.813 119.579 120.400 -0.013 0.000 2.185 887 D HA 0.302 4.952 4.640 0.017 0.000 0.247 887 D C 0.544 176.798 176.300 -0.077 0.000 1.027 887 D CA 0.156 54.125 54.000 -0.052 0.000 0.861 887 D CB 1.794 42.549 40.800 -0.075 0.000 1.202 887 D HN 0.399 nan 8.370 nan 0.000 0.453 888 C N 0.452 119.700 119.300 -0.086 0.000 5.412 888 C HA 0.175 4.645 4.460 0.017 0.000 0.280 888 C C 1.973 176.873 174.990 -0.150 0.000 1.421 888 C CA 0.054 59.021 59.018 -0.085 0.000 1.753 888 C CB -0.539 27.167 27.740 -0.057 0.000 2.047 888 C HN 0.711 nan 8.230 nan 0.000 0.531 889 E N 1.216 121.342 120.200 -0.123 0.000 2.400 889 E HA 0.005 4.365 4.350 0.017 0.000 0.195 889 E C 1.939 178.402 176.600 -0.227 0.000 1.012 889 E CA 0.773 57.114 56.400 -0.098 0.000 0.875 889 E CB -0.117 29.587 29.700 0.007 0.000 0.859 889 E HN 0.694 nan 8.360 nan 0.000 0.498 890 I N -0.183 120.250 120.570 -0.229 0.000 2.499 890 I HA -0.363 3.817 4.170 0.017 0.000 0.248 890 I C 0.432 176.608 176.117 0.099 0.000 0.945 890 I CA 1.360 62.614 61.300 -0.078 0.000 1.309 890 I CB -1.598 36.373 38.000 -0.049 0.000 0.994 890 I HN -0.116 nan 8.210 nan 0.000 0.434 891 F N 2.290 122.413 119.950 0.288 0.000 2.607 891 F HA 0.349 4.886 4.527 0.017 0.000 0.374 891 F C 1.557 177.464 175.800 0.179 0.000 1.104 891 F CA 0.361 58.520 58.000 0.265 0.000 1.296 891 F CB -0.302 38.797 39.000 0.163 0.000 1.085 891 F HN 0.293 nan 8.300 nan 0.000 0.584 892 E N 0.078 120.472 120.200 0.322 0.000 4.202 892 E HA -0.200 4.160 4.350 0.017 0.000 0.388 892 E C 0.122 176.783 176.600 0.102 0.000 0.580 892 E CA 0.763 57.261 56.400 0.164 0.000 1.386 892 E CB -1.392 28.382 29.700 0.123 0.000 1.836 892 E HN 0.945 nan 8.360 nan 0.000 0.378 893 A N 0.814 123.709 122.820 0.125 0.000 2.561 893 A HA 0.285 4.615 4.320 0.017 0.000 0.251 893 A C -1.340 176.194 177.584 -0.084 0.000 1.062 893 A CA -0.035 52.014 52.037 0.020 0.000 0.761 893 A CB 0.179 19.212 19.000 0.055 0.000 0.986 893 A HN 0.171 nan 8.150 nan 0.000 0.510 894 P HA -0.154 nan 4.420 nan 0.000 0.218 894 P C 1.000 178.097 177.300 -0.338 0.000 1.148 894 P CA 1.410 64.404 63.100 -0.177 0.000 0.822 894 P CB 0.239 31.848 31.700 -0.152 0.000 0.784 895 E N -0.028 119.846 120.200 -0.543 0.000 2.049 895 E HA -0.183 4.177 4.350 0.017 0.000 0.198 895 E C -0.425 175.526 176.600 -1.081 0.000 1.007 895 E CA 2.232 58.039 56.400 -0.989 0.000 0.809 895 E CB -2.097 26.573 29.700 -1.716 0.000 0.749 895 E HN 0.430 nan 8.360 nan 0.000 0.450 896 P HA -0.182 nan 4.420 nan 0.000 0.215 896 P C 1.284 178.414 177.300 -0.283 0.000 1.153 896 P CA 1.637 64.328 63.100 -0.681 0.000 0.853 896 P CB -0.031 31.247 31.700 -0.702 0.000 0.788 897 M N -0.494 118.975 119.600 -0.218 0.000 2.123 897 M HA -0.073 4.417 4.480 0.017 0.000 0.263 897 M C 2.116 178.348 176.300 -0.115 0.000 1.069 897 M CA 2.438 57.681 55.300 -0.093 0.000 1.133 897 M CB -1.485 31.087 32.600 -0.046 0.000 1.356 897 M HN -0.031 nan 8.290 nan 0.000 0.415 898 T N -0.449 113.993 114.554 -0.188 0.000 2.962 898 T HA -0.110 4.250 4.350 0.017 0.000 0.270 898 T C 1.590 176.161 174.700 -0.216 0.000 1.088 898 T CA 0.918 62.905 62.100 -0.188 0.000 1.127 898 T CB -0.277 68.443 68.868 -0.246 0.000 0.883 898 T HN 0.173 nan 8.240 nan 0.000 0.493 899 M N 2.521 121.975 119.600 -0.244 0.000 2.080 899 M HA 0.090 4.580 4.480 0.017 0.000 0.260 899 M C 2.444 178.663 176.300 -0.134 0.000 1.068 899 M CA 1.524 56.707 55.300 -0.195 0.000 1.109 899 M CB -1.042 31.495 32.600 -0.106 0.000 1.342 899 M HN 0.303 nan 8.290 nan 0.000 0.405 900 A N -0.535 122.239 122.820 -0.078 0.000 1.855 900 A HA -0.107 4.223 4.320 0.017 0.000 0.215 900 A C 2.117 179.679 177.584 -0.038 0.000 1.191 900 A CA 1.657 53.671 52.037 -0.039 0.000 0.613 900 A CB -1.293 17.708 19.000 0.001 0.000 0.829 900 A HN 0.540 nan 8.150 nan 0.000 0.442 901 L N 0.018 121.233 121.223 -0.013 0.000 2.137 901 L HA -0.159 4.191 4.340 0.017 0.000 0.213 901 L C 2.385 179.250 176.870 -0.009 0.000 1.085 901 L CA 2.478 57.340 54.840 0.037 0.000 0.760 901 L CB -0.505 41.621 42.059 0.111 0.000 0.893 901 L HN 0.286 nan 8.230 nan 0.000 0.434 902 S N -2.066 113.603 115.700 -0.052 0.000 2.446 902 S HA -0.008 4.472 4.470 0.017 0.000 0.225 902 S C 1.819 176.331 174.600 -0.147 0.000 1.016 902 S CA 0.839 58.961 58.200 -0.130 0.000 0.943 902 S CB 0.048 63.032 63.200 -0.362 0.000 0.786 902 S HN 0.309 nan 8.310 nan 0.000 0.508 903 V N 1.431 121.274 119.914 -0.118 0.000 2.488 903 V HA -0.038 4.092 4.120 0.017 0.000 0.246 903 V C 2.130 178.204 176.094 -0.034 0.000 1.046 903 V CA 1.005 63.264 62.300 -0.067 0.000 1.053 903 V CB -0.364 31.414 31.823 -0.074 0.000 0.679 903 V HN 0.331 nan 8.190 nan 0.000 0.458 904 L N -0.235 120.962 121.223 -0.043 0.000 1.976 904 L HA -0.116 4.234 4.340 0.017 0.000 0.209 904 L C 2.420 179.267 176.870 -0.039 0.000 1.071 904 L CA 1.882 56.701 54.840 -0.035 0.000 0.746 904 L CB -0.706 41.336 42.059 -0.029 0.000 0.890 904 L HN 0.121 nan 8.230 nan 0.000 0.432 905 V N -0.883 118.984 119.914 -0.077 0.000 2.233 905 V HA -0.358 3.772 4.120 0.017 0.000 0.247 905 V C 2.451 178.543 176.094 -0.003 0.000 1.050 905 V CA 2.365 64.611 62.300 -0.091 0.000 1.010 905 V CB -1.072 30.596 31.823 -0.258 0.000 0.637 905 V HN 0.518 nan 8.190 nan 0.000 0.444 906 T N -0.112 114.468 114.554 0.043 0.000 2.720 906 T HA -0.213 4.147 4.350 0.017 0.000 0.268 906 T C 1.852 176.607 174.700 0.091 0.000 1.037 906 T CA 2.094 64.269 62.100 0.125 0.000 1.144 906 T CB -0.333 68.664 68.868 0.215 0.000 0.864 906 T HN 0.413 nan 8.240 nan 0.000 0.444 907 I N 0.513 121.123 120.570 0.066 0.000 2.353 907 I HA -0.124 4.056 4.170 0.017 0.000 0.248 907 I C 2.526 178.685 176.117 0.070 0.000 1.119 907 I CA 1.390 62.734 61.300 0.074 0.000 1.417 907 I CB -0.082 37.967 38.000 0.081 0.000 1.078 907 I HN 0.283 nan 8.210 nan 0.000 0.421 908 E N 0.093 120.324 120.200 0.052 0.000 2.051 908 E HA -0.290 4.070 4.350 0.017 0.000 0.192 908 E C 2.104 178.816 176.600 0.187 0.000 0.991 908 E CA 1.443 57.890 56.400 0.078 0.000 0.799 908 E CB -0.181 29.527 29.700 0.013 0.000 0.748 908 E HN 0.371 nan 8.360 nan 0.000 0.449 909 M N 0.259 119.930 119.600 0.117 0.000 2.267 909 M HA -0.165 4.325 4.480 0.017 0.000 0.263 909 M C 2.099 178.433 176.300 0.056 0.000 1.063 909 M CA 1.191 56.537 55.300 0.077 0.000 1.090 909 M CB -0.272 32.362 32.600 0.056 0.000 1.392 909 M HN 0.187 nan 8.290 nan 0.000 0.422 910 C N 0.759 120.101 119.300 0.070 0.000 2.489 910 C HA -0.067 4.403 4.460 0.017 0.000 0.279 910 C C 2.366 177.383 174.990 0.045 0.000 1.266 910 C CA 1.348 60.395 59.018 0.049 0.000 1.707 910 C CB -1.313 26.457 27.740 0.050 0.000 2.059 910 C HN 0.707 nan 8.230 nan 0.000 0.481 911 N N 1.801 120.550 118.700 0.081 0.000 2.521 911 N HA 0.018 4.768 4.740 0.017 0.000 0.188 911 N C 1.369 176.964 175.510 0.142 0.000 1.146 911 N CA 1.259 54.362 53.050 0.087 0.000 0.893 911 N CB -0.250 38.275 38.487 0.064 0.000 0.975 911 N HN 0.476 nan 8.380 nan 0.000 0.451 912 A N 1.351 124.233 122.820 0.104 0.000 1.930 912 A HA 0.041 4.371 4.320 0.017 0.000 0.217 912 A C 2.385 179.892 177.584 -0.128 0.000 1.175 912 A CA 0.653 52.557 52.037 -0.223 0.000 0.627 912 A CB -0.626 18.041 19.000 -0.554 0.000 0.815 912 A HN 0.306 nan 8.150 nan 0.000 0.443 913 L N 0.049 121.235 121.223 -0.062 0.000 2.191 913 L HA -0.179 4.171 4.340 0.017 0.000 0.212 913 L C 1.776 178.623 176.870 -0.037 0.000 1.103 913 L CA 0.897 55.706 54.840 -0.052 0.000 0.769 913 L CB -0.645 41.393 42.059 -0.034 0.000 0.908 913 L HN 0.396 nan 8.230 nan 0.000 0.438 914 N N -0.594 118.099 118.700 -0.011 0.000 2.396 914 N HA -0.086 4.664 4.740 0.017 0.000 0.180 914 N C 1.369 176.887 175.510 0.012 0.000 1.028 914 N CA 0.805 53.858 53.050 0.005 0.000 0.893 914 N CB -0.054 38.446 38.487 0.022 0.000 0.967 914 N HN 0.157 nan 8.380 nan 0.000 0.440 915 S N 0.716 116.418 115.700 0.002 0.000 2.685 915 S HA 0.266 4.746 4.470 0.017 0.000 0.240 915 S C 1.610 176.205 174.600 -0.008 0.000 0.967 915 S CA -0.213 57.994 58.200 0.011 0.000 1.009 915 S CB -0.091 63.120 63.200 0.018 0.000 0.776 915 S HN 0.238 nan 8.310 nan 0.000 0.467 916 L N 0.411 121.623 121.223 -0.018 0.000 2.395 916 L HA 0.184 4.534 4.340 0.017 0.000 0.218 916 L C 1.037 177.906 176.870 -0.002 0.000 1.130 916 L CA 0.445 55.274 54.840 -0.018 0.000 0.826 916 L CB 0.100 42.130 42.059 -0.048 0.000 0.941 916 L HN 0.252 nan 8.230 nan 0.000 0.451 917 S N -1.655 114.052 115.700 0.011 0.000 2.548 917 S HA 0.138 4.618 4.470 0.017 0.000 0.278 917 S C 0.278 174.907 174.600 0.050 0.000 1.150 917 S CA -0.713 57.501 58.200 0.024 0.000 0.907 917 S CB 1.675 64.880 63.200 0.008 0.000 1.108 917 S HN 0.193 nan 8.310 nan 0.000 0.459 918 E N 3.021 123.261 120.200 0.067 0.000 2.021 918 E HA -0.114 4.246 4.350 0.017 0.000 0.200 918 E C 0.527 177.199 176.600 0.119 0.000 1.015 918 E CA 2.271 58.733 56.400 0.105 0.000 0.824 918 E CB 0.043 29.810 29.700 0.112 0.000 0.762 918 E HN 0.594 nan 8.360 nan 0.000 0.454 919 N N -0.303 118.447 118.700 0.084 0.000 2.299 919 N HA 0.099 4.849 4.740 0.017 0.000 0.246 919 N C -1.032 174.503 175.510 0.042 0.000 1.254 919 N CA -0.062 53.035 53.050 0.077 0.000 0.879 919 N CB 1.017 39.527 38.487 0.037 0.000 1.214 919 N HN 0.080 nan 8.380 nan 0.000 0.510 920 Q N 0.141 119.961 119.800 0.033 0.000 2.226 920 Q HA 0.428 4.778 4.340 0.017 0.000 0.256 920 Q C -0.146 175.864 176.000 0.016 0.000 0.962 920 Q CA -0.211 55.601 55.803 0.014 0.000 0.887 920 Q CB 1.788 30.524 28.738 -0.004 0.000 1.282 920 Q HN 0.007 nan 8.270 nan 0.000 0.449 921 S N 1.412 117.118 115.700 0.011 0.000 2.562 921 S HA 0.216 4.696 4.470 0.017 0.000 0.275 921 S C 1.568 176.148 174.600 -0.033 0.000 1.281 921 S CA -0.444 57.763 58.200 0.012 0.000 1.045 921 S CB 0.568 63.786 63.200 0.030 0.000 0.962 921 S HN 0.500 nan 8.310 nan 0.000 0.503 922 L N 2.273 123.470 121.223 -0.043 0.000 2.261 922 L HA -0.211 4.139 4.340 0.017 0.000 0.216 922 L C 2.464 179.268 176.870 -0.111 0.000 1.114 922 L CA 1.194 55.977 54.840 -0.095 0.000 0.777 922 L CB -0.527 41.486 42.059 -0.077 0.000 0.910 922 L HN 0.785 nan 8.230 nan 0.000 0.440 923 M N -1.742 117.827 119.600 -0.052 0.000 2.229 923 M HA -0.136 4.354 4.480 0.017 0.000 0.264 923 M C 2.091 178.365 176.300 -0.045 0.000 1.063 923 M CA 1.710 56.990 55.300 -0.033 0.000 1.114 923 M CB -0.261 32.342 32.600 0.004 0.000 1.387 923 M HN -0.008 nan 8.290 nan 0.000 0.420 924 R N -0.152 120.318 120.500 -0.050 0.000 2.195 924 R HA 0.343 4.693 4.340 0.017 0.000 0.197 924 R C 0.331 176.576 176.300 -0.091 0.000 0.990 924 R CA 0.291 56.363 56.100 -0.047 0.000 1.048 924 R CB 0.468 30.755 30.300 -0.021 0.000 0.997 924 R HN 0.374 nan 8.270 nan 0.000 0.502 925 M N 2.570 122.095 119.600 -0.125 0.000 2.561 925 M HA 0.327 4.817 4.480 0.017 0.000 0.266 925 M C -2.516 173.607 176.300 -0.295 0.000 1.080 925 M CA -1.972 53.223 55.300 -0.175 0.000 0.993 925 M CB 1.370 33.906 32.600 -0.108 0.000 1.303 925 M HN -0.192 nan 8.290 nan 0.000 0.462 926 P HA 0.233 nan 4.420 nan 0.000 0.274 926 P C -2.203 174.642 177.300 -0.757 0.000 1.260 926 P CA -0.890 61.706 63.100 -0.840 0.000 0.793 926 P CB -0.174 30.485 31.700 -1.735 0.000 1.048 927 P HA -0.092 nan 4.420 nan 0.000 0.220 927 P C 0.764 177.999 177.300 -0.109 0.000 1.148 927 P CA 1.378 64.344 63.100 -0.224 0.000 0.803 927 P CB -0.485 31.195 31.700 -0.033 0.000 0.782 928 W N -0.589 120.697 121.300 -0.023 0.000 3.292 928 W HA 0.189 4.859 4.660 0.017 0.000 0.263 928 W C 1.265 177.770 176.519 -0.024 0.000 1.318 928 W CA -0.066 57.258 57.345 -0.035 0.000 1.663 928 W CB -1.758 27.677 29.460 -0.042 0.000 1.114 928 W HN -0.201 nan 8.180 nan 0.000 0.706 929 V N -0.557 119.269 119.914 -0.146 0.000 2.379 929 V HA -0.117 4.013 4.120 0.017 0.000 0.245 929 V C 0.882 176.997 176.094 0.036 0.000 1.044 929 V CA 1.580 63.850 62.300 -0.050 0.000 1.036 929 V CB -0.775 30.981 31.823 -0.112 0.000 0.664 929 V HN 0.306 nan 8.190 nan 0.000 0.453 930 N N 0.758 119.476 118.700 0.031 0.000 2.546 930 N HA 0.290 5.040 4.740 0.017 0.000 0.238 930 N C 0.562 176.104 175.510 0.052 0.000 0.984 930 N CA -0.418 52.688 53.050 0.093 0.000 0.935 930 N CB 1.284 39.837 38.487 0.110 0.000 1.122 930 N HN 0.200 nan 8.380 nan 0.000 0.510 931 I N 2.104 122.661 120.570 -0.022 0.000 2.333 931 I HA -0.104 4.076 4.170 0.017 0.000 0.246 931 I C 1.546 177.562 176.117 -0.169 0.000 1.106 931 I CA 0.663 61.875 61.300 -0.146 0.000 1.411 931 I CB -1.130 36.682 38.000 -0.315 0.000 1.082 931 I HN 0.540 nan 8.210 nan 0.000 0.420 932 W N 1.068 122.316 121.300 -0.088 0.000 2.304 932 W HA -0.274 4.396 4.660 0.017 0.000 0.315 932 W C 2.538 178.978 176.519 -0.132 0.000 1.233 932 W CA 0.728 57.974 57.345 -0.165 0.000 1.261 932 W CB -0.994 28.297 29.460 -0.281 0.000 1.150 932 W HN 0.101 nan 8.180 nan 0.000 0.494 933 L N 0.451 121.756 121.223 0.137 0.000 1.989 933 L HA -0.193 4.157 4.340 0.017 0.000 0.211 933 L C 2.179 179.046 176.870 -0.005 0.000 1.071 933 L CA 1.891 56.753 54.840 0.036 0.000 0.749 933 L CB -1.203 40.862 42.059 0.009 0.000 0.890 933 L HN 0.041 nan 8.230 nan 0.000 0.431 934 L N -0.772 120.445 121.223 -0.010 0.000 2.079 934 L HA -0.164 4.186 4.340 0.017 0.000 0.210 934 L C 2.531 179.378 176.870 -0.037 0.000 1.081 934 L CA 1.314 56.141 54.840 -0.022 0.000 0.752 934 L CB -1.677 40.374 42.059 -0.012 0.000 0.896 934 L HN 0.501 nan 8.230 nan 0.000 0.433 935 G N -0.279 108.490 108.800 -0.051 0.000 2.453 935 G HA2 -0.263 3.707 3.960 0.017 0.000 0.215 935 G HA3 -0.263 3.707 3.960 0.017 0.000 0.215 935 G C 1.685 176.567 174.900 -0.029 0.000 1.201 935 G CA 0.955 46.022 45.100 -0.055 0.000 0.784 935 G HN 0.379 nan 8.290 nan 0.000 0.545 936 S N 0.804 116.497 115.700 -0.012 0.000 2.381 936 S HA -0.198 4.282 4.470 0.017 0.000 0.230 936 S C 2.258 176.846 174.600 -0.020 0.000 1.052 936 S CA 1.484 59.676 58.200 -0.014 0.000 1.068 936 S CB -0.358 62.833 63.200 -0.015 0.000 0.918 936 S HN 0.393 nan 8.310 nan 0.000 0.448 937 I N 0.868 121.423 120.570 -0.025 0.000 2.179 937 I HA -0.239 3.941 4.170 0.017 0.000 0.242 937 I C 2.488 178.599 176.117 -0.010 0.000 1.088 937 I CA 0.953 62.241 61.300 -0.019 0.000 1.357 937 I CB -0.565 37.422 38.000 -0.022 0.000 1.051 937 I HN 0.386 nan 8.210 nan 0.000 0.409 938 C N 0.269 119.554 119.300 -0.025 0.000 2.432 938 C HA -0.173 4.297 4.460 0.017 0.000 0.277 938 C C 2.749 177.731 174.990 -0.014 0.000 1.249 938 C CA 0.429 59.425 59.018 -0.037 0.000 1.725 938 C CB -1.008 26.697 27.740 -0.058 0.000 2.028 938 C HN 0.497 nan 8.230 nan 0.000 0.477 939 L N 1.192 122.411 121.223 -0.007 0.000 2.081 939 L HA -0.163 4.187 4.340 0.017 0.000 0.212 939 L C 2.501 179.396 176.870 0.042 0.000 1.080 939 L CA 2.063 56.911 54.840 0.014 0.000 0.754 939 L CB -0.851 41.212 42.059 0.006 0.000 0.893 939 L HN 0.280 nan 8.230 nan 0.000 0.433 940 S N -1.218 114.500 115.700 0.031 0.000 2.338 940 S HA -0.136 4.344 4.470 0.017 0.000 0.218 940 S C 1.899 176.596 174.600 0.160 0.000 1.032 940 S CA 1.544 59.770 58.200 0.043 0.000 0.999 940 S CB -0.230 62.968 63.200 -0.004 0.000 0.905 940 S HN 0.366 nan 8.310 nan 0.000 0.439 941 M N 1.560 121.249 119.600 0.150 0.000 2.082 941 M HA -0.098 4.392 4.480 0.017 0.000 0.258 941 M C 2.472 178.941 176.300 0.281 0.000 1.069 941 M CA 1.408 56.853 55.300 0.241 0.000 1.102 941 M CB -1.946 30.699 32.600 0.076 0.000 1.336 941 M HN 0.364 nan 8.290 nan 0.000 0.404 942 S N 0.493 116.258 115.700 0.108 0.000 2.359 942 S HA -0.157 4.323 4.470 0.017 0.000 0.222 942 S C 1.917 176.663 174.600 0.244 0.000 1.038 942 S CA 1.268 59.522 58.200 0.091 0.000 1.051 942 S CB -0.219 62.995 63.200 0.024 0.000 0.944 942 S HN 0.295 nan 8.310 nan 0.000 0.433 943 L N 1.322 122.702 121.223 0.261 0.000 2.081 943 L HA -0.070 4.280 4.340 0.017 0.000 0.212 943 L C 2.324 179.544 176.870 0.583 0.000 1.080 943 L CA 2.148 57.213 54.840 0.376 0.000 0.754 943 L CB -1.571 40.679 42.059 0.318 0.000 0.893 943 L HN 0.554 nan 8.230 nan 0.000 0.433 944 H N -2.299 117.089 119.070 0.531 0.000 2.495 944 H HA -0.099 4.467 4.556 0.017 0.000 0.287 944 H C 1.875 177.469 175.328 0.443 0.000 1.033 944 H CA 1.148 57.543 56.048 0.579 0.000 1.307 944 H CB 0.073 30.181 29.762 0.576 0.000 1.401 944 H HN 0.192 nan 8.280 nan 0.000 0.555 945 F N -0.692 119.389 119.950 0.219 0.000 2.118 945 F HA -0.048 4.489 4.527 0.017 0.000 0.293 945 F C 2.118 178.024 175.800 0.177 0.000 1.102 945 F CA 0.483 58.611 58.000 0.212 0.000 1.247 945 F CB -0.829 38.244 39.000 0.122 0.000 1.017 945 F HN 0.127 nan 8.300 nan 0.000 0.475 946 L N 0.415 121.824 121.223 0.310 0.000 1.997 946 L HA -0.328 4.022 4.340 0.017 0.000 0.227 946 L C 2.439 179.321 176.870 0.020 0.000 1.087 946 L CA 1.851 56.791 54.840 0.168 0.000 0.797 946 L CB -1.030 41.120 42.059 0.153 0.000 0.902 946 L HN 0.175 nan 8.230 nan 0.000 0.441 947 I N -1.654 118.826 120.570 -0.149 0.000 2.300 947 I HA -0.352 3.828 4.170 0.017 0.000 0.252 947 I C 2.125 177.989 176.117 -0.421 0.000 1.119 947 I CA 1.223 62.249 61.300 -0.457 0.000 1.384 947 I CB 0.105 37.442 38.000 -1.106 0.000 1.062 947 I HN 0.264 nan 8.210 nan 0.000 0.426 948 L N -0.796 120.181 121.223 -0.410 0.000 2.131 948 L HA -0.129 4.221 4.340 0.017 0.000 0.206 948 L C 1.534 178.037 176.870 -0.612 0.000 1.087 948 L CA 1.811 56.293 54.840 -0.595 0.000 0.767 948 L CB -0.495 41.067 42.059 -0.828 0.000 0.917 948 L HN 0.225 nan 8.230 nan 0.000 0.441 949 Y N -2.844 117.401 120.300 -0.093 0.000 2.430 949 Y HA 0.286 4.846 4.550 0.017 0.000 0.254 949 Y C 0.623 176.516 175.900 -0.013 0.000 1.088 949 Y CA -0.658 57.421 58.100 -0.035 0.000 1.267 949 Y CB 0.330 38.793 38.460 0.005 0.000 1.204 949 Y HN -0.349 nan 8.280 nan 0.000 0.515 950 V N 2.039 122.012 119.914 0.099 0.000 2.427 950 V HA -0.016 4.114 4.120 0.017 0.000 0.268 950 V C 0.589 176.701 176.094 0.031 0.000 1.046 950 V CA -0.081 62.260 62.300 0.068 0.000 0.970 950 V CB 0.934 32.795 31.823 0.063 0.000 1.001 950 V HN 0.226 nan 8.190 nan 0.000 0.476 951 D N 5.991 126.410 120.400 0.032 0.000 2.218 951 D HA -0.074 4.576 4.640 0.017 0.000 0.204 951 D C -0.075 176.228 176.300 0.006 0.000 0.976 951 D CA 1.271 55.279 54.000 0.013 0.000 0.853 951 D CB -0.410 40.401 40.800 0.019 0.000 0.939 951 D HN 0.525 nan 8.370 nan 0.000 0.481 952 P HA -0.074 nan 4.420 nan 0.000 0.217 952 P C 1.588 178.903 177.300 0.025 0.000 1.151 952 P CA 0.485 63.596 63.100 0.017 0.000 0.828 952 P CB 0.192 31.906 31.700 0.024 0.000 0.788 953 L N 0.475 121.721 121.223 0.038 0.000 1.989 953 L HA -0.066 4.284 4.340 0.017 0.000 0.211 953 L C -0.391 176.542 176.870 0.104 0.000 1.071 953 L CA 2.558 57.452 54.840 0.089 0.000 0.749 953 L CB -2.828 39.260 42.059 0.048 0.000 0.890 953 L HN 0.045 nan 8.230 nan 0.000 0.431 954 P HA -0.209 nan 4.420 nan 0.000 0.218 954 P C 2.081 179.373 177.300 -0.014 0.000 1.146 954 P CA 1.374 64.443 63.100 -0.052 0.000 0.813 954 P CB -0.145 31.475 31.700 -0.133 0.000 0.778 955 M N -1.018 118.575 119.600 -0.011 0.000 2.132 955 M HA -0.117 4.373 4.480 0.017 0.000 0.263 955 M C 1.856 178.134 176.300 -0.036 0.000 1.065 955 M CA 1.901 57.188 55.300 -0.022 0.000 1.122 955 M CB -0.610 31.979 32.600 -0.019 0.000 1.365 955 M HN -0.119 nan 8.290 nan 0.000 0.411 956 I N -0.392 120.148 120.570 -0.050 0.000 2.226 956 I HA -0.280 3.900 4.170 0.017 0.000 0.245 956 I C 1.694 177.593 176.117 -0.363 0.000 1.100 956 I CA 1.219 62.400 61.300 -0.199 0.000 1.374 956 I CB -0.514 37.323 38.000 -0.271 0.000 1.057 956 I HN 0.146 nan 8.210 nan 0.000 0.413 957 F N 0.564 120.448 119.950 -0.110 0.000 2.202 957 F HA 0.234 4.771 4.527 0.017 0.000 0.266 957 F C 0.841 176.571 175.800 -0.117 0.000 1.173 957 F CA 0.671 58.591 58.000 -0.133 0.000 1.075 957 F CB -0.095 38.755 39.000 -0.249 0.000 1.046 957 F HN -0.240 nan 8.300 nan 0.000 0.531 958 K N -0.412 120.027 120.400 0.065 0.000 2.642 958 K HA 0.331 4.661 4.320 0.017 0.000 0.290 958 K C -1.138 175.396 176.600 -0.110 0.000 1.006 958 K CA -0.618 55.646 56.287 -0.039 0.000 0.869 958 K CB 1.305 33.774 32.500 -0.051 0.000 1.499 958 K HN 0.073 nan 8.250 nan 0.000 0.403 959 L N 1.951 123.096 121.223 -0.129 0.000 2.536 959 L HA -0.071 4.279 4.340 0.017 0.000 0.294 959 L C 1.330 178.054 176.870 -0.244 0.000 1.257 959 L CA 0.410 55.149 54.840 -0.168 0.000 0.850 959 L CB -0.115 41.850 42.059 -0.157 0.000 1.105 959 L HN 0.596 nan 8.230 nan 0.000 0.517 960 K N 2.212 122.447 120.400 -0.275 0.000 2.273 960 K HA 0.694 5.024 4.320 0.017 0.000 0.240 960 K C -0.532 175.880 176.600 -0.314 0.000 1.056 960 K CA -0.631 55.424 56.287 -0.386 0.000 0.910 960 K CB 0.692 32.883 32.500 -0.516 0.000 1.196 960 K HN 0.553 nan 8.250 nan 0.000 0.509 961 A N 1.210 123.847 122.820 -0.304 0.000 2.343 961 A HA 0.376 4.706 4.320 0.017 0.000 0.308 961 A C -0.475 177.112 177.584 0.006 0.000 1.092 961 A CA -1.032 50.883 52.037 -0.203 0.000 0.751 961 A CB 0.632 19.426 19.000 -0.344 0.000 1.203 961 A HN 0.679 nan 8.150 nan 0.000 0.452 962 L N 3.239 124.498 121.223 0.061 0.000 2.827 962 L HA -0.085 4.265 4.340 0.017 0.000 0.280 962 L C 1.210 178.239 176.870 0.265 0.000 1.122 962 L CA -0.312 54.629 54.840 0.168 0.000 1.044 962 L CB -0.612 41.547 42.059 0.167 0.000 1.402 962 L HN 0.871 nan 8.230 nan 0.000 0.467 963 D N 2.379 123.009 120.400 0.384 0.000 2.855 963 D HA -0.293 4.357 4.640 0.017 0.000 0.242 963 D C 1.869 178.403 176.300 0.391 0.000 1.105 963 D CA 2.076 56.361 54.000 0.475 0.000 0.977 963 D CB 0.026 40.974 40.800 0.246 0.000 1.241 963 D HN 0.502 nan 8.370 nan 0.000 0.500 964 L N -0.519 120.851 121.223 0.245 0.000 2.081 964 L HA -0.204 4.146 4.340 0.017 0.000 0.212 964 L C 2.375 179.370 176.870 0.208 0.000 1.080 964 L CA 1.962 56.918 54.840 0.193 0.000 0.754 964 L CB -0.567 41.575 42.059 0.138 0.000 0.893 964 L HN 0.280 nan 8.230 nan 0.000 0.433 965 T N -6.198 108.488 114.554 0.221 0.000 2.989 965 T HA 0.047 4.407 4.350 0.017 0.000 0.250 965 T C 1.741 176.565 174.700 0.206 0.000 0.981 965 T CA -0.425 61.800 62.100 0.208 0.000 0.980 965 T CB 0.075 69.070 68.868 0.211 0.000 1.133 965 T HN 0.067 nan 8.240 nan 0.000 0.489 966 Q N 0.702 120.625 119.800 0.206 0.000 2.084 966 Q HA -0.055 4.295 4.340 0.017 0.000 0.202 966 Q C 1.886 177.881 176.000 -0.008 0.000 0.978 966 Q CA 1.399 57.265 55.803 0.106 0.000 0.844 966 Q CB -0.489 28.274 28.738 0.042 0.000 0.898 966 Q HN 0.645 nan 8.270 nan 0.000 0.426 967 W N 1.315 122.659 121.300 0.074 0.000 2.358 967 W HA -0.115 4.554 4.660 0.017 0.000 0.303 967 W C 2.232 178.777 176.519 0.043 0.000 1.208 967 W CA 0.594 57.981 57.345 0.071 0.000 1.274 967 W CB -0.423 29.109 29.460 0.121 0.000 1.138 967 W HN 0.082 nan 8.180 nan 0.000 0.515 968 L N -0.735 120.650 121.223 0.270 0.000 2.129 968 L HA -0.290 4.060 4.340 0.017 0.000 0.212 968 L C 2.375 179.265 176.870 0.034 0.000 1.087 968 L CA 1.095 56.023 54.840 0.148 0.000 0.757 968 L CB -0.593 41.542 42.059 0.126 0.000 0.896 968 L HN 0.094 nan 8.230 nan 0.000 0.434 969 M N -0.841 118.720 119.600 -0.066 0.000 2.098 969 M HA -0.105 4.385 4.480 0.017 0.000 0.262 969 M C 2.139 178.300 176.300 -0.232 0.000 1.072 969 M CA 1.589 56.718 55.300 -0.286 0.000 1.133 969 M CB -0.358 31.852 32.600 -0.651 0.000 1.344 969 M HN -0.080 nan 8.290 nan 0.000 0.414 970 V N 0.397 120.208 119.914 -0.171 0.000 2.278 970 V HA -0.286 3.844 4.120 0.017 0.000 0.251 970 V C 2.389 178.483 176.094 -0.001 0.000 1.062 970 V CA 1.933 64.160 62.300 -0.123 0.000 1.038 970 V CB -1.002 30.703 31.823 -0.196 0.000 0.646 970 V HN 0.524 nan 8.190 nan 0.000 0.447 971 L N -0.382 120.895 121.223 0.091 0.000 2.156 971 L HA -0.080 4.270 4.340 0.017 0.000 0.208 971 L C 2.274 179.176 176.870 0.053 0.000 1.095 971 L CA 1.915 56.828 54.840 0.121 0.000 0.770 971 L CB -0.665 41.500 42.059 0.176 0.000 0.914 971 L HN 0.185 nan 8.230 nan 0.000 0.439 972 K N -0.623 119.777 120.400 0.000 0.000 2.097 972 K HA -0.007 4.323 4.320 0.017 0.000 0.205 972 K C 1.934 178.526 176.600 -0.014 0.000 1.050 972 K CA 1.396 57.670 56.287 -0.022 0.000 0.938 972 K CB -0.104 32.350 32.500 -0.076 0.000 0.718 972 K HN 0.355 nan 8.250 nan 0.000 0.442 973 I N -0.281 120.263 120.570 -0.043 0.000 2.617 973 I HA -0.156 4.024 4.170 0.017 0.000 0.256 973 I C 1.579 177.764 176.117 0.112 0.000 1.167 973 I CA 0.779 62.073 61.300 -0.011 0.000 1.469 973 I CB 0.149 38.085 38.000 -0.106 0.000 1.098 973 I HN 0.028 nan 8.210 nan 0.000 0.436 974 S N 0.308 116.063 115.700 0.091 0.000 2.456 974 S HA 0.057 4.537 4.470 0.017 0.000 0.224 974 S C 1.800 176.468 174.600 0.113 0.000 1.035 974 S CA 0.198 58.476 58.200 0.129 0.000 0.940 974 S CB -0.035 63.220 63.200 0.091 0.000 0.799 974 S HN 0.166 nan 8.310 nan 0.000 0.508 975 L N 2.446 123.714 121.223 0.076 0.000 2.046 975 L HA 0.027 4.377 4.340 0.017 0.000 0.208 975 L C -1.169 175.696 176.870 -0.008 0.000 1.077 975 L CA 1.631 56.494 54.840 0.038 0.000 0.747 975 L CB -1.631 40.449 42.059 0.036 0.000 0.896 975 L HN 0.144 nan 8.230 nan 0.000 0.432 976 P HA -0.164 nan 4.420 nan 0.000 0.218 976 P C 2.122 179.218 177.300 -0.340 0.000 1.146 976 P CA 0.929 63.943 63.100 -0.144 0.000 0.813 976 P CB -0.032 31.610 31.700 -0.096 0.000 0.778 977 V N -0.511 119.199 119.914 -0.341 0.000 2.439 977 V HA -0.276 3.854 4.120 0.017 0.000 0.253 977 V C 2.019 178.005 176.094 -0.180 0.000 1.074 977 V CA 1.727 63.829 62.300 -0.330 0.000 1.076 977 V CB -0.842 30.940 31.823 -0.068 0.000 0.664 977 V HN 0.021 nan 8.190 nan 0.000 0.461 978 I N 0.044 120.550 120.570 -0.107 0.000 2.163 978 I HA -0.088 4.092 4.170 0.017 0.000 0.240 978 I C 2.631 178.705 176.117 -0.071 0.000 1.081 978 I CA 1.548 62.811 61.300 -0.061 0.000 1.353 978 I CB -1.045 36.936 38.000 -0.031 0.000 1.054 978 I HN 0.398 nan 8.210 nan 0.000 0.407 979 G N 0.995 109.742 108.800 -0.089 0.000 2.475 979 G HA2 -0.271 3.699 3.960 0.017 0.000 0.220 979 G HA3 -0.271 3.699 3.960 0.017 0.000 0.220 979 G C 1.618 176.465 174.900 -0.090 0.000 1.125 979 G CA 0.842 45.894 45.100 -0.080 0.000 0.755 979 G HN 0.245 nan 8.290 nan 0.000 0.565 980 L N 0.707 121.838 121.223 -0.153 0.000 2.007 980 L HA 0.130 4.480 4.340 0.017 0.000 0.205 980 L C 2.213 179.055 176.870 -0.047 0.000 1.073 980 L CA 2.562 57.319 54.840 -0.137 0.000 0.744 980 L CB -0.922 40.976 42.059 -0.268 0.000 0.898 980 L HN 0.239 nan 8.230 nan 0.000 0.435 981 D N -0.930 119.441 120.400 -0.048 0.000 2.149 981 D HA -0.279 4.371 4.640 0.017 0.000 0.198 981 D C 2.048 178.390 176.300 0.070 0.000 0.990 981 D CA 1.282 55.291 54.000 0.015 0.000 0.839 981 D CB 0.066 40.869 40.800 0.006 0.000 0.948 981 D HN 0.476 nan 8.370 nan 0.000 0.460 982 E N -0.609 119.617 120.200 0.044 0.000 2.268 982 E HA -0.108 4.252 4.350 0.017 0.000 0.195 982 E C 1.645 178.317 176.600 0.120 0.000 0.995 982 E CA 0.636 57.079 56.400 0.071 0.000 0.836 982 E CB 0.062 29.779 29.700 0.028 0.000 0.763 982 E HN 0.341 nan 8.360 nan 0.000 0.491 983 I N -0.012 120.618 120.570 0.100 0.000 2.480 983 I HA -0.130 4.050 4.170 0.017 0.000 0.251 983 I C 1.891 178.170 176.117 0.270 0.000 1.124 983 I CA 0.527 61.916 61.300 0.148 0.000 1.444 983 I CB -0.792 37.251 38.000 0.071 0.000 1.098 983 I HN 0.237 nan 8.210 nan 0.000 0.428 984 L N 0.994 122.360 121.223 0.238 0.000 2.141 984 L HA -0.122 4.228 4.340 0.017 0.000 0.209 984 L C 2.373 179.505 176.870 0.436 0.000 1.094 984 L CA 1.740 56.789 54.840 0.349 0.000 0.763 984 L CB -0.703 41.497 42.059 0.236 0.000 0.908 984 L HN 0.157 nan 8.230 nan 0.000 0.437 985 K N -1.967 118.618 120.400 0.310 0.000 2.155 985 K HA -0.159 4.171 4.320 0.017 0.000 0.203 985 K C 2.058 178.774 176.600 0.193 0.000 1.052 985 K CA 1.131 57.570 56.287 0.253 0.000 0.948 985 K CB -0.265 32.339 32.500 0.173 0.000 0.728 985 K HN 0.161 nan 8.250 nan 0.000 0.448 986 F N 2.100 122.108 119.950 0.098 0.000 2.134 986 F HA -0.193 4.344 4.527 0.017 0.000 0.299 986 F C 1.804 177.646 175.800 0.070 0.000 1.097 986 F CA 1.235 59.273 58.000 0.064 0.000 1.264 986 F CB -0.111 38.924 39.000 0.058 0.000 1.001 986 F HN -0.110 nan 8.300 nan 0.000 0.479 987 I N 0.445 121.155 120.570 0.233 0.000 2.052 987 I HA -0.383 3.797 4.170 0.017 0.000 0.235 987 I C 2.693 178.807 176.117 -0.006 0.000 1.046 987 I CA 1.617 63.012 61.300 0.157 0.000 1.308 987 I CB -1.052 37.132 38.000 0.308 0.000 1.031 987 I HN 0.215 nan 8.210 nan 0.000 0.395 988 A N 0.184 122.926 122.820 -0.129 0.000 2.076 988 A HA -0.245 4.085 4.320 0.017 0.000 0.220 988 A C 2.391 179.693 177.584 -0.470 0.000 1.160 988 A CA 1.791 53.519 52.037 -0.515 0.000 0.653 988 A CB -0.678 17.963 19.000 -0.599 0.000 0.801 988 A HN 0.465 nan 8.150 nan 0.000 0.455 989 R N -0.538 119.777 120.500 -0.308 0.000 2.064 989 R HA 0.012 4.362 4.340 0.017 0.000 0.221 989 R C 1.343 177.419 176.300 -0.373 0.000 1.136 989 R CA 1.137 57.053 56.100 -0.307 0.000 0.980 989 R CB -0.258 29.913 30.300 -0.217 0.000 0.876 989 R HN 0.538 nan 8.270 nan 0.000 0.437 990 N N -0.117 118.296 118.700 -0.478 0.000 2.424 990 N HA -0.079 4.671 4.740 0.017 0.000 0.178 990 N C -0.125 175.238 175.510 -0.245 0.000 1.060 990 N CA 0.226 53.001 53.050 -0.460 0.000 0.901 990 N CB 0.308 38.271 38.487 -0.873 0.000 0.979 990 N HN 0.218 nan 8.380 nan 0.000 0.451 991 Y N 1.038 121.163 120.300 -0.292 0.000 2.419 991 Y HA 0.590 5.150 4.550 0.017 0.000 0.328 991 Y C -0.848 174.905 175.900 -0.246 0.000 1.162 991 Y CA -1.104 56.862 58.100 -0.223 0.000 1.174 991 Y CB 0.833 39.169 38.460 -0.207 0.000 1.228 991 Y HN -0.216 nan 8.280 nan 0.000 0.473 992 L N 3.709 124.332 121.223 -1.000 0.000 2.393 992 L HA 0.676 5.026 4.340 0.017 0.000 0.260 992 L C -1.376 175.000 176.870 -0.823 0.000 1.002 992 L CA -0.601 53.638 54.840 -1.002 0.000 0.818 992 L CB 2.254 44.033 42.059 -0.467 0.000 1.369 992 L HN 0.966 nan 8.230 nan 0.000 0.412 993 E N 1.110 120.946 120.200 -0.608 0.000 2.392 993 E HA 0.655 5.015 4.350 0.017 0.000 0.281 993 E C -1.472 175.030 176.600 -0.162 0.000 1.088 993 E CA -0.218 56.034 56.400 -0.247 0.000 0.850 993 E CB 1.842 31.500 29.700 -0.070 0.000 1.267 993 E HN 0.992 nan 8.360 nan 0.000 0.438 994 G N 0.000 108.757 108.800 -0.072 0.000 5.446 994 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 994 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 994 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925