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 3b9r_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 0.000 176.213 176.300 -0.144 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1 M CB 0.000 32.746 32.600 0.244 0.000 1.302 2 E N 1.263 121.286 120.200 -0.295 0.000 2.465 2 E HA 0.375 4.734 4.350 0.015 0.000 0.260 2 E C 0.022 176.472 176.600 -0.249 0.000 0.980 2 E CA 0.607 56.655 56.400 -0.587 0.000 0.927 2 E CB 0.878 30.149 29.700 -0.715 0.000 0.934 2 E HN 0.423 nan 8.360 nan 0.000 0.459 3 A N 3.711 126.398 122.820 -0.222 0.000 2.833 3 A HA 0.524 4.853 4.320 0.015 0.000 0.293 3 A C -0.341 177.221 177.584 -0.037 0.000 1.338 3 A CA 0.307 52.302 52.037 -0.070 0.000 0.959 3 A CB 0.136 19.121 19.000 -0.025 0.000 1.094 3 A HN 0.480 nan 8.150 nan 0.000 0.569 4 A N 0.226 123.009 122.820 -0.063 0.000 2.513 4 A HA 0.563 4.892 4.320 0.015 0.000 0.296 4 A C 0.110 177.684 177.584 -0.017 0.000 1.052 4 A CA -0.437 51.553 52.037 -0.079 0.000 0.714 4 A CB 0.497 19.385 19.000 -0.186 0.000 1.279 4 A HN 0.587 nan 8.150 nan 0.000 0.397 5 H N 0.912 119.980 119.070 -0.004 0.000 2.551 5 H HA 0.132 4.698 4.556 0.015 0.000 0.271 5 H C 0.888 176.229 175.328 0.023 0.000 0.984 5 H CA 0.949 57.001 56.048 0.006 0.000 1.164 5 H CB -0.067 29.712 29.762 0.029 0.000 1.437 5 H HN 0.552 nan 8.280 nan 0.000 0.550 6 S N -0.261 115.152 115.700 -0.479 0.000 2.512 6 S HA 0.151 4.631 4.470 0.015 0.000 0.216 6 S C 0.784 175.293 174.600 -0.151 0.000 1.006 6 S CA -0.578 57.405 58.200 -0.361 0.000 0.915 6 S CB 0.732 63.636 63.200 -0.494 0.000 0.824 6 S HN -0.020 nan 8.310 nan 0.000 0.497 7 K N 3.137 123.465 120.400 -0.120 0.000 2.132 7 K HA 0.404 4.733 4.320 0.015 0.000 0.240 7 K C 0.736 177.327 176.600 -0.016 0.000 1.036 7 K CA -0.020 56.235 56.287 -0.053 0.000 0.888 7 K CB 0.439 32.910 32.500 -0.048 0.000 1.071 7 K HN 0.449 nan 8.250 nan 0.000 0.502 8 S N -1.640 114.062 115.700 0.002 0.000 2.707 8 S HA 0.109 4.588 4.470 0.015 0.000 0.276 8 S C 1.483 176.100 174.600 0.029 0.000 1.179 8 S CA 0.085 58.296 58.200 0.018 0.000 0.992 8 S CB 0.944 64.154 63.200 0.017 0.000 1.030 8 S HN 0.647 nan 8.310 nan 0.000 0.554 9 T N -0.349 114.226 114.554 0.035 0.000 2.665 9 T HA -0.214 4.146 4.350 0.015 0.000 0.268 9 T C 1.277 176.005 174.700 0.047 0.000 1.035 9 T CA 1.954 64.079 62.100 0.041 0.000 1.151 9 T CB -1.047 67.843 68.868 0.038 0.000 0.862 9 T HN 0.702 nan 8.240 nan 0.000 0.438 10 E N 1.590 121.813 120.200 0.039 0.000 2.031 10 E HA -0.089 4.270 4.350 0.015 0.000 0.193 10 E C 2.381 179.012 176.600 0.051 0.000 0.994 10 E CA 1.670 58.095 56.400 0.041 0.000 0.800 10 E CB -0.380 29.337 29.700 0.029 0.000 0.752 10 E HN 0.756 nan 8.360 nan 0.000 0.447 11 E N -0.085 120.140 120.200 0.042 0.000 2.209 11 E HA -0.197 4.162 4.350 0.015 0.000 0.196 11 E C 1.997 178.643 176.600 0.077 0.000 0.993 11 E CA 1.156 57.586 56.400 0.049 0.000 0.819 11 E CB -0.223 29.495 29.700 0.030 0.000 0.745 11 E HN 0.304 nan 8.360 nan 0.000 0.477 12 C N 0.396 119.741 119.300 0.075 0.000 2.500 12 C HA -0.004 4.465 4.460 0.015 0.000 0.279 12 C C 2.605 177.718 174.990 0.205 0.000 1.288 12 C CA 0.001 59.083 59.018 0.108 0.000 1.710 12 C CB -0.834 26.958 27.740 0.087 0.000 2.052 12 C HN 0.366 nan 8.230 nan 0.000 0.488 13 L N 1.530 122.851 121.223 0.162 0.000 2.043 13 L HA -0.238 4.111 4.340 0.015 0.000 0.212 13 L C 2.839 179.815 176.870 0.177 0.000 1.075 13 L CA 1.869 56.811 54.840 0.171 0.000 0.752 13 L CB -0.715 41.407 42.059 0.104 0.000 0.891 13 L HN 0.385 nan 8.230 nan 0.000 0.432 14 A N -0.871 122.026 122.820 0.128 0.000 1.851 14 A HA -0.317 4.012 4.320 0.015 0.000 0.216 14 A C 2.192 179.833 177.584 0.095 0.000 1.195 14 A CA 1.856 53.950 52.037 0.094 0.000 0.622 14 A CB -1.154 17.883 19.000 0.061 0.000 0.831 14 A HN 0.456 nan 8.150 nan 0.000 0.444 15 Y N -0.601 119.659 120.300 -0.067 0.000 2.096 15 Y HA -0.303 4.256 4.550 0.015 0.000 0.278 15 Y C 1.738 177.486 175.900 -0.252 0.000 1.192 15 Y CA 2.519 60.476 58.100 -0.238 0.000 1.143 15 Y CB -0.387 37.796 38.460 -0.463 0.000 0.963 15 Y HN 0.305 nan 8.280 nan 0.000 0.505 16 F N -0.365 119.745 119.950 0.267 0.000 2.727 16 F HA 0.291 4.828 4.527 0.015 0.000 0.302 16 F C 1.502 177.395 175.800 0.156 0.000 1.097 16 F CA 0.319 58.454 58.000 0.224 0.000 1.330 16 F CB 0.000 39.165 39.000 0.275 0.000 1.084 16 F HN 0.086 nan 8.300 nan 0.000 0.578 17 G N 2.175 111.120 108.800 0.242 0.000 2.374 17 G HA2 -0.130 3.839 3.960 0.015 0.000 0.289 17 G HA3 -0.130 3.839 3.960 0.015 0.000 0.289 17 G C -0.725 174.267 174.900 0.152 0.000 1.004 17 G CA 0.342 45.532 45.100 0.151 0.000 1.292 17 G HN 0.333 nan 8.290 nan 0.000 0.502 18 V N 0.493 120.499 119.914 0.154 0.000 2.888 18 V HA 0.813 4.942 4.120 0.015 0.000 0.309 18 V C 0.393 176.538 176.094 0.085 0.000 1.114 18 V CA -0.054 62.319 62.300 0.121 0.000 0.940 18 V CB 2.190 34.101 31.823 0.147 0.000 1.021 18 V HN 1.123 nan 8.190 nan 0.000 0.426 19 S N 3.419 119.152 115.700 0.055 0.000 2.505 19 S HA 0.184 4.663 4.470 0.015 0.000 0.276 19 S C 1.070 175.685 174.600 0.025 0.000 1.274 19 S CA 0.490 58.711 58.200 0.034 0.000 1.053 19 S CB 0.895 64.105 63.200 0.017 0.000 0.919 19 S HN 0.979 nan 8.310 nan 0.000 0.490 20 E N 2.838 123.049 120.200 0.019 0.000 2.209 20 E HA -0.139 4.221 4.350 0.015 0.000 0.196 20 E C 0.569 177.144 176.600 -0.042 0.000 0.993 20 E CA 1.458 57.861 56.400 0.005 0.000 0.819 20 E CB 0.039 29.741 29.700 0.004 0.000 0.745 20 E HN 0.783 nan 8.360 nan 0.000 0.477 21 T N -1.351 113.168 114.554 -0.057 0.000 3.134 21 T HA 0.051 4.410 4.350 0.015 0.000 0.260 21 T C 1.104 175.743 174.700 -0.102 0.000 1.027 21 T CA 0.523 62.551 62.100 -0.119 0.000 0.913 21 T CB 0.627 69.436 68.868 -0.097 0.000 1.046 21 T HN 0.230 nan 8.240 nan 0.000 0.553 22 T N -2.032 112.497 114.554 -0.042 0.000 3.098 22 T HA 0.539 4.898 4.350 0.015 0.000 0.256 22 T C 1.287 176.011 174.700 0.040 0.000 0.921 22 T CA 0.828 62.925 62.100 -0.005 0.000 0.916 22 T CB 0.243 69.112 68.868 0.003 0.000 1.246 22 T HN 0.664 nan 8.240 nan 0.000 0.511 23 G N 1.886 110.713 108.800 0.044 0.000 2.542 23 G HA2 -0.014 3.955 3.960 0.015 0.000 0.235 23 G HA3 -0.014 3.955 3.960 0.015 0.000 0.235 23 G C -0.900 174.022 174.900 0.036 0.000 1.286 23 G CA -0.333 44.805 45.100 0.063 0.000 0.904 23 G HN 0.645 nan 8.290 nan 0.000 0.577 24 L N 1.554 122.787 121.223 0.017 0.000 2.375 24 L HA 0.637 4.987 4.340 0.015 0.000 0.271 24 L C 1.576 178.430 176.870 -0.027 0.000 1.107 24 L CA 0.581 55.407 54.840 -0.023 0.000 0.806 24 L CB 1.215 43.231 42.059 -0.073 0.000 1.146 24 L HN 1.171 nan 8.230 nan 0.000 0.447 25 T N 0.350 114.879 114.554 -0.041 0.000 2.909 25 T HA 0.386 4.745 4.350 0.015 0.000 0.286 25 T C -1.942 172.724 174.700 -0.057 0.000 1.002 25 T CA -1.800 60.279 62.100 -0.034 0.000 1.074 25 T CB 1.280 70.135 68.868 -0.021 0.000 0.984 25 T HN 0.430 nan 8.240 nan 0.000 0.495 26 P HA -0.137 nan 4.420 nan 0.000 0.217 26 P C 0.983 178.255 177.300 -0.047 0.000 1.148 26 P CA 1.087 64.164 63.100 -0.038 0.000 0.834 26 P CB 0.056 31.744 31.700 -0.020 0.000 0.783 27 D N -0.762 119.613 120.400 -0.041 0.000 2.087 27 D HA -0.175 4.475 4.640 0.015 0.000 0.192 27 D C 2.108 178.368 176.300 -0.066 0.000 0.993 27 D CA 1.250 55.228 54.000 -0.036 0.000 0.828 27 D CB -0.652 40.136 40.800 -0.020 0.000 0.968 27 D HN 0.306 nan 8.370 nan 0.000 0.448 28 Q N 0.006 119.737 119.800 -0.115 0.000 2.124 28 Q HA -0.079 4.270 4.340 0.015 0.000 0.202 28 Q C 2.353 178.091 176.000 -0.437 0.000 0.977 28 Q CA 0.834 56.482 55.803 -0.259 0.000 0.850 28 Q CB 0.092 28.648 28.738 -0.303 0.000 0.901 28 Q HN 0.193 nan 8.270 nan 0.000 0.429 29 V N 1.132 120.886 119.914 -0.267 0.000 2.379 29 V HA -0.232 3.897 4.120 0.015 0.000 0.245 29 V C 2.209 178.249 176.094 -0.090 0.000 1.044 29 V CA 1.710 63.894 62.300 -0.194 0.000 1.036 29 V CB -0.558 31.201 31.823 -0.108 0.000 0.664 29 V HN 0.212 nan 8.190 nan 0.000 0.453 30 K N 1.088 121.448 120.400 -0.066 0.000 2.001 30 K HA -0.224 4.105 4.320 0.015 0.000 0.214 30 K C 2.259 178.855 176.600 -0.007 0.000 1.050 30 K CA 1.877 58.147 56.287 -0.029 0.000 0.934 30 K CB -0.539 31.948 32.500 -0.022 0.000 0.718 30 K HN 0.283 nan 8.250 nan 0.000 0.443 31 R N -0.728 119.779 120.500 0.012 0.000 2.097 31 R HA -0.157 4.192 4.340 0.015 0.000 0.236 31 R C 2.507 178.881 176.300 0.122 0.000 1.135 31 R CA 2.231 58.376 56.100 0.074 0.000 0.934 31 R CB -0.525 29.865 30.300 0.149 0.000 0.846 31 R HN 0.576 nan 8.270 nan 0.000 0.431 32 H N -0.357 118.709 119.070 -0.007 0.000 2.326 32 H HA -0.127 4.438 4.556 0.015 0.000 0.301 32 H C 2.215 177.561 175.328 0.031 0.000 1.081 32 H CA 1.105 57.189 56.048 0.061 0.000 1.334 32 H CB -0.046 29.858 29.762 0.236 0.000 1.385 32 H HN 0.163 nan 8.280 nan 0.000 0.504 33 L N 1.047 122.349 121.223 0.132 0.000 2.450 33 L HA -0.133 4.216 4.340 0.015 0.000 0.224 33 L C 2.336 179.162 176.870 -0.072 0.000 1.149 33 L CA 0.863 55.683 54.840 -0.033 0.000 0.816 33 L CB 0.008 41.995 42.059 -0.119 0.000 0.932 33 L HN 0.289 nan 8.230 nan 0.000 0.449 34 E N -0.227 119.947 120.200 -0.043 0.000 2.132 34 E HA -0.180 4.179 4.350 0.015 0.000 0.193 34 E C 1.967 178.503 176.600 -0.106 0.000 0.951 34 E CA 0.523 56.889 56.400 -0.057 0.000 0.843 34 E CB 0.242 29.919 29.700 -0.039 0.000 0.807 34 E HN 0.405 nan 8.360 nan 0.000 0.467 35 K N -0.502 119.761 120.400 -0.228 0.000 2.097 35 K HA -0.139 4.190 4.320 0.015 0.000 0.205 35 K C 1.244 177.593 176.600 -0.418 0.000 1.050 35 K CA 1.354 57.381 56.287 -0.434 0.000 0.938 35 K CB 0.032 32.033 32.500 -0.832 0.000 0.718 35 K HN 0.072 nan 8.250 nan 0.000 0.442 36 Y N -0.794 119.519 120.300 0.021 0.000 2.430 36 Y HA 0.318 4.877 4.550 0.015 0.000 0.248 36 Y C 1.105 177.008 175.900 0.006 0.000 1.108 36 Y CA 0.001 58.111 58.100 0.018 0.000 1.264 36 Y CB 0.623 39.096 38.460 0.020 0.000 1.172 36 Y HN 0.258 nan 8.280 nan 0.000 0.520 37 G N 0.566 109.416 108.800 0.082 0.000 2.598 37 G HA2 -0.234 3.735 3.960 0.015 0.000 0.244 37 G HA3 -0.234 3.735 3.960 0.015 0.000 0.244 37 G C -0.440 174.437 174.900 -0.039 0.000 1.302 37 G CA -0.233 44.882 45.100 0.025 0.000 0.903 37 G HN 0.375 nan 8.290 nan 0.000 0.575 38 H N 0.269 119.384 119.070 0.075 0.000 2.499 38 H HA 0.384 4.949 4.556 0.015 0.000 0.352 38 H C 0.451 175.811 175.328 0.054 0.000 1.237 38 H CA -0.009 56.075 56.048 0.060 0.000 1.343 38 H CB 1.181 30.966 29.762 0.040 0.000 1.578 38 H HN 0.446 nan 8.280 nan 0.000 0.577 39 N N 1.683 120.482 118.700 0.166 0.000 3.083 39 N HA 0.020 4.769 4.740 0.015 0.000 0.260 39 N C -1.109 174.450 175.510 0.083 0.000 1.163 39 N CA -0.268 52.838 53.050 0.092 0.000 1.060 39 N CB -0.163 38.361 38.487 0.061 0.000 1.345 39 N HN 0.659 nan 8.380 nan 0.000 0.515 40 E N 1.227 121.474 120.200 0.078 0.000 2.388 40 E HA 0.188 4.547 4.350 0.015 0.000 0.281 40 E C -1.397 175.231 176.600 0.047 0.000 1.046 40 E CA -0.826 55.608 56.400 0.056 0.000 0.825 40 E CB 0.474 30.203 29.700 0.048 0.000 1.243 40 E HN 0.075 nan 8.360 nan 0.000 0.438 41 L N 2.146 123.390 121.223 0.036 0.000 2.349 41 L HA 0.419 4.768 4.340 0.015 0.000 0.275 41 L C -1.830 175.052 176.870 0.020 0.000 1.115 41 L CA -1.905 52.952 54.840 0.027 0.000 0.820 41 L CB 0.151 42.225 42.059 0.025 0.000 1.135 41 L HN 0.422 nan 8.230 nan 0.000 0.445 42 P HA 0.021 nan 4.420 nan 0.000 0.269 42 P C -0.634 176.665 177.300 -0.001 0.000 1.215 42 P CA -0.426 62.678 63.100 0.007 0.000 0.780 42 P CB 0.914 32.618 31.700 0.008 0.000 0.898 43 A N 1.692 124.506 122.820 -0.010 0.000 3.260 43 A HA 0.143 4.472 4.320 0.015 0.000 0.268 43 A C 0.563 178.133 177.584 -0.023 0.000 1.491 43 A CA -0.460 51.568 52.037 -0.016 0.000 1.181 43 A CB -1.167 17.821 19.000 -0.020 0.000 1.137 43 A HN 0.686 nan 8.150 nan 0.000 0.642 44 E N 0.539 120.727 120.200 -0.021 0.000 2.452 44 E HA -0.212 4.147 4.350 0.015 0.000 0.155 44 E C 0.501 177.079 176.600 -0.036 0.000 1.746 44 E CA 0.877 57.261 56.400 -0.027 0.000 0.636 44 E CB -0.193 29.489 29.700 -0.029 0.000 1.069 44 E HN 0.758 nan 8.360 nan 0.000 0.335 45 E N 2.022 122.202 120.200 -0.034 0.000 2.539 45 E HA 0.019 4.378 4.350 0.015 0.000 0.215 45 E C 1.614 178.191 176.600 -0.039 0.000 0.965 45 E CA 0.875 57.250 56.400 -0.042 0.000 1.019 45 E CB -0.125 29.553 29.700 -0.036 0.000 1.059 45 E HN 0.572 nan 8.360 nan 0.000 0.496 46 G N 2.474 111.255 108.800 -0.031 0.000 2.884 46 G HA2 -0.323 3.646 3.960 0.015 0.000 0.262 46 G HA3 -0.323 3.646 3.960 0.015 0.000 0.262 46 G C 0.615 175.498 174.900 -0.029 0.000 1.107 46 G CA 1.589 46.673 45.100 -0.027 0.000 0.739 46 G HN 0.321 nan 8.290 nan 0.000 0.663 47 K N -1.503 118.875 120.400 -0.036 0.000 2.542 47 K HA 0.633 4.963 4.320 0.015 0.000 0.259 47 K C -1.455 175.112 176.600 -0.054 0.000 0.932 47 K CA -0.468 55.797 56.287 -0.038 0.000 0.820 47 K CB 2.406 34.891 32.500 -0.025 0.000 1.345 47 K HN 0.223 nan 8.250 nan 0.000 0.432 48 S N 0.676 116.336 115.700 -0.066 0.000 2.595 48 S HA 0.694 5.173 4.470 0.015 0.000 0.270 48 S C -2.307 172.228 174.600 -0.107 0.000 1.145 48 S CA -0.908 57.234 58.200 -0.097 0.000 0.825 48 S CB 1.286 64.401 63.200 -0.141 0.000 1.107 48 S HN 0.517 nan 8.310 nan 0.000 0.461 49 L N -1.269 119.879 121.223 -0.125 0.000 2.765 49 L HA 0.476 4.825 4.340 0.015 0.000 0.254 49 L C 0.469 177.317 176.870 -0.038 0.000 0.939 49 L CA -0.781 53.999 54.840 -0.099 0.000 0.949 49 L CB 0.016 42.092 42.059 0.029 0.000 1.521 49 L HN 0.783 nan 8.230 nan 0.000 0.434 50 W N 0.498 121.805 121.300 0.013 0.000 2.308 50 W HA -0.147 4.520 4.660 0.012 0.000 0.301 50 W C 1.627 178.161 176.519 0.026 0.000 1.220 50 W CA 1.893 59.249 57.345 0.018 0.000 1.240 50 W CB -0.312 29.158 29.460 0.016 0.000 1.142 50 W HN 0.837 nan 8.180 nan 0.000 0.521 51 E N 0.364 120.724 120.200 0.268 0.000 2.219 51 E HA -0.231 4.129 4.350 0.015 0.000 0.198 51 E C 2.027 178.707 176.600 0.134 0.000 0.998 51 E CA 1.109 57.613 56.400 0.173 0.000 0.818 51 E CB -0.889 28.892 29.700 0.136 0.000 0.741 51 E HN 0.414 nan 8.360 nan 0.000 0.477 52 L N 0.848 122.131 121.223 0.100 0.000 2.403 52 L HA -0.432 3.917 4.340 0.015 0.000 0.237 52 L C 2.459 179.388 176.870 0.098 0.000 1.138 52 L CA 3.161 58.044 54.840 0.072 0.000 0.841 52 L CB -0.993 41.097 42.059 0.052 0.000 0.979 52 L HN 0.187 nan 8.230 nan 0.000 0.435 53 V N -2.192 117.798 119.914 0.127 0.000 2.363 53 V HA -0.369 3.760 4.120 0.015 0.000 0.254 53 V C 2.380 178.667 176.094 0.322 0.000 1.074 53 V CA 2.213 64.622 62.300 0.182 0.000 1.069 53 V CB -1.300 30.671 31.823 0.247 0.000 0.659 53 V HN 0.593 nan 8.190 nan 0.000 0.455 54 I N 0.516 121.237 120.570 0.252 0.000 2.576 54 I HA -0.204 3.975 4.170 0.015 0.000 0.263 54 I C 2.265 178.520 176.117 0.229 0.000 1.183 54 I CA 1.889 63.313 61.300 0.207 0.000 1.432 54 I CB -0.903 37.158 38.000 0.101 0.000 1.100 54 I HN 0.535 nan 8.210 nan 0.000 0.452 55 E N -0.304 120.012 120.200 0.194 0.000 2.539 55 E HA 0.016 4.375 4.350 0.015 0.000 0.215 55 E C 1.333 177.990 176.600 0.095 0.000 0.965 55 E CA 0.045 56.523 56.400 0.131 0.000 1.019 55 E CB 0.108 29.851 29.700 0.072 0.000 1.059 55 E HN 0.677 nan 8.360 nan 0.000 0.496 56 Q N -0.102 119.730 119.800 0.054 0.000 2.247 56 Q HA 0.177 4.526 4.340 0.015 0.000 0.234 56 Q C -0.436 175.375 176.000 -0.315 0.000 0.899 56 Q CA -0.025 55.705 55.803 -0.121 0.000 0.951 56 Q CB -0.429 28.195 28.738 -0.189 0.000 1.057 56 Q HN -0.056 nan 8.270 nan 0.000 0.444 57 F N 0.352 120.307 119.950 0.009 0.000 2.761 57 F HA 0.315 4.836 4.527 -0.011 0.000 0.367 57 F C 1.043 176.847 175.800 0.008 0.000 1.386 57 F CA -0.491 57.513 58.000 0.007 0.000 1.177 57 F CB 0.922 39.925 39.000 0.004 0.000 1.092 57 F HN 0.228 nan 8.300 nan 0.000 0.517 58 E N 0.603 120.861 120.200 0.097 0.000 2.192 58 E HA -0.010 4.349 4.350 0.015 0.000 0.196 58 E C 0.648 177.279 176.600 0.053 0.000 0.922 58 E CA 0.589 57.033 56.400 0.073 0.000 0.924 58 E CB 0.126 29.854 29.700 0.047 0.000 0.911 58 E HN 0.427 nan 8.360 nan 0.000 0.478 59 D N 1.066 121.484 120.400 0.030 0.000 2.274 59 D HA -0.089 4.561 4.640 0.015 0.000 0.256 59 D C 1.811 178.132 176.300 0.035 0.000 1.274 59 D CA 0.065 54.082 54.000 0.028 0.000 0.998 59 D CB 0.007 40.818 40.800 0.020 0.000 1.139 59 D HN 0.141 nan 8.370 nan 0.000 0.540 60 L N -1.959 119.284 121.223 0.034 0.000 2.072 60 L HA 0.063 4.412 4.340 0.015 0.000 0.205 60 L C 1.899 178.790 176.870 0.034 0.000 1.079 60 L CA 1.051 55.913 54.840 0.036 0.000 0.752 60 L CB -1.644 40.439 42.059 0.040 0.000 0.906 60 L HN 0.329 nan 8.230 nan 0.000 0.436 61 L N -0.594 120.644 121.223 0.025 0.000 2.869 61 L HA 0.109 4.459 4.340 0.015 0.000 0.259 61 L C 0.646 177.519 176.870 0.004 0.000 1.162 61 L CA 0.562 55.409 54.840 0.011 0.000 0.975 61 L CB -0.512 41.545 42.059 -0.004 0.000 1.217 61 L HN 0.199 nan 8.230 nan 0.000 0.418 62 V N -2.514 117.422 119.914 0.037 0.000 5.317 62 V HA 0.121 4.250 4.120 0.015 0.000 0.120 62 V C 2.038 178.203 176.094 0.117 0.000 1.105 62 V CA -0.314 62.043 62.300 0.094 0.000 1.161 62 V CB -0.229 31.662 31.823 0.114 0.000 1.653 62 V HN 0.079 nan 8.190 nan 0.000 0.610 63 R N 0.904 121.468 120.500 0.106 0.000 2.097 63 R HA -0.111 4.238 4.340 0.015 0.000 0.236 63 R C 2.137 178.471 176.300 0.055 0.000 1.135 63 R CA 1.969 58.118 56.100 0.082 0.000 0.934 63 R CB -1.075 29.263 30.300 0.063 0.000 0.846 63 R HN 0.440 nan 8.270 nan 0.000 0.431 64 I N 1.172 121.767 120.570 0.042 0.000 2.113 64 I HA -0.289 3.890 4.170 0.015 0.000 0.242 64 I C 2.109 178.245 176.117 0.032 0.000 1.057 64 I CA 1.420 62.736 61.300 0.027 0.000 1.314 64 I CB -1.114 36.899 38.000 0.022 0.000 1.022 64 I HN 0.154 nan 8.210 nan 0.000 0.408 65 L N -0.089 121.161 121.223 0.045 0.000 2.645 65 L HA 0.020 4.370 4.340 0.015 0.000 0.235 65 L C 2.086 178.994 176.870 0.064 0.000 1.150 65 L CA 0.114 54.984 54.840 0.050 0.000 0.911 65 L CB 0.005 42.092 42.059 0.047 0.000 1.077 65 L HN 0.301 nan 8.230 nan 0.000 0.438 66 L N -1.407 119.856 121.223 0.067 0.000 2.362 66 L HA -0.040 4.309 4.340 0.015 0.000 0.204 66 L C 2.130 179.031 176.870 0.052 0.000 1.060 66 L CA 0.276 55.155 54.840 0.064 0.000 0.827 66 L CB 0.252 42.354 42.059 0.072 0.000 1.027 66 L HN 0.231 nan 8.230 nan 0.000 0.474 67 L N 0.736 121.988 121.223 0.049 0.000 1.955 67 L HA -0.168 4.181 4.340 0.015 0.000 0.213 67 L C 2.696 179.610 176.870 0.073 0.000 1.072 67 L CA 2.248 57.121 54.840 0.055 0.000 0.755 67 L CB -1.248 40.828 42.059 0.029 0.000 0.888 67 L HN 0.203 nan 8.230 nan 0.000 0.432 68 A N -1.245 121.607 122.820 0.055 0.000 2.255 68 A HA -0.121 4.208 4.320 0.015 0.000 0.218 68 A C 2.177 179.823 177.584 0.103 0.000 1.175 68 A CA 1.804 53.882 52.037 0.067 0.000 0.682 68 A CB -0.778 18.248 19.000 0.044 0.000 0.784 68 A HN 0.467 nan 8.150 nan 0.000 0.482 69 A N -2.569 120.312 122.820 0.102 0.000 2.167 69 A HA 0.238 4.568 4.320 0.015 0.000 0.208 69 A C 1.866 179.542 177.584 0.153 0.000 1.198 69 A CA 0.993 53.100 52.037 0.117 0.000 0.863 69 A CB -0.327 18.709 19.000 0.060 0.000 0.904 69 A HN 0.579 nan 8.150 nan 0.000 0.484 70 C N -0.666 118.721 119.300 0.145 0.000 2.487 70 C HA 0.241 4.710 4.460 0.015 0.000 0.311 70 C C 2.189 177.330 174.990 0.253 0.000 1.367 70 C CA 0.007 59.143 59.018 0.196 0.000 1.865 70 C CB -0.694 27.116 27.740 0.116 0.000 2.277 70 C HN 0.502 nan 8.230 nan 0.000 0.521 71 I N 1.738 122.435 120.570 0.213 0.000 2.454 71 I HA -0.118 4.061 4.170 0.015 0.000 0.254 71 I C 2.429 178.712 176.117 0.275 0.000 1.156 71 I CA 1.560 63.017 61.300 0.262 0.000 1.433 71 I CB -1.177 36.944 38.000 0.202 0.000 1.082 71 I HN 0.327 nan 8.210 nan 0.000 0.432 72 S N -0.658 115.190 115.700 0.247 0.000 2.548 72 S HA 0.034 4.514 4.470 0.015 0.000 0.215 72 S C 1.578 176.368 174.600 0.317 0.000 0.976 72 S CA -0.215 58.134 58.200 0.247 0.000 0.908 72 S CB -0.092 63.230 63.200 0.203 0.000 0.781 72 S HN 0.339 nan 8.310 nan 0.000 0.519 73 F N 0.641 120.680 119.950 0.148 0.000 2.446 73 F HA 0.311 4.861 4.527 0.040 0.000 0.292 73 F C 1.873 177.723 175.800 0.084 0.000 1.096 73 F CA 0.451 58.526 58.000 0.124 0.000 1.438 73 F CB -0.451 38.603 39.000 0.090 0.000 1.107 73 F HN 0.091 nan 8.300 nan 0.000 0.546 74 V N 0.805 120.785 119.914 0.110 0.000 2.307 74 V HA -0.232 3.897 4.120 0.015 0.000 0.245 74 V C 2.259 178.454 176.094 0.168 0.000 1.045 74 V CA 2.027 64.361 62.300 0.057 0.000 1.024 74 V CB -0.395 31.558 31.823 0.216 0.000 0.651 74 V HN 0.350 nan 8.190 nan 0.000 0.449 75 L N 0.572 121.948 121.223 0.254 0.000 2.127 75 L HA -0.103 4.246 4.340 0.015 0.000 0.211 75 L C 2.057 179.043 176.870 0.194 0.000 1.089 75 L CA 1.554 56.564 54.840 0.284 0.000 0.757 75 L CB -0.716 41.487 42.059 0.241 0.000 0.899 75 L HN 0.434 nan 8.230 nan 0.000 0.434 76 A N -1.975 120.917 122.820 0.121 0.000 2.929 76 A HA -0.062 4.267 4.320 0.015 0.000 0.279 76 A C 1.324 178.900 177.584 -0.013 0.000 1.418 76 A CA -0.330 51.765 52.037 0.096 0.000 1.035 76 A CB -0.754 18.367 19.000 0.202 0.000 1.047 76 A HN 0.680 nan 8.150 nan 0.000 0.609 77 W N -1.294 119.754 121.300 -0.419 0.000 2.520 77 W HA 0.227 4.902 4.660 0.026 0.000 0.272 77 W C -1.115 174.965 176.519 -0.732 0.000 0.984 77 W CA 0.099 57.024 57.345 -0.700 0.000 1.314 77 W CB 0.674 29.544 29.460 -0.985 0.000 0.945 77 W HN 0.329 nan 8.180 nan 0.000 0.596 78 F N 2.760 122.712 119.950 0.003 0.000 2.908 78 F HA 0.175 4.709 4.527 0.012 0.000 0.328 78 F C 1.345 177.125 175.800 -0.034 0.000 1.211 78 F CA -0.145 57.827 58.000 -0.047 0.000 1.291 78 F CB -0.490 38.517 39.000 0.012 0.000 0.962 78 F HN -0.180 nan 8.300 nan 0.000 0.505 79 E N 0.284 120.509 120.200 0.041 0.000 2.422 79 E HA -0.004 4.355 4.350 0.015 0.000 0.267 79 E C 0.033 176.640 176.600 0.011 0.000 1.466 79 E CA 0.126 56.552 56.400 0.043 0.000 1.767 79 E CB -0.216 29.503 29.700 0.032 0.000 1.471 79 E HN 0.210 nan 8.360 nan 0.000 0.446 80 E N 1.355 121.568 120.200 0.021 0.000 3.079 80 E HA 0.078 4.437 4.350 0.015 0.000 0.267 80 E C 0.391 176.993 176.600 0.004 0.000 1.509 80 E CA 0.139 56.538 56.400 -0.002 0.000 1.630 80 E CB -0.503 29.201 29.700 0.006 0.000 1.373 80 E HN 0.517 nan 8.360 nan 0.000 0.439 81 G N -0.125 108.677 108.800 0.004 0.000 2.531 81 G HA2 0.089 4.058 3.960 0.015 0.000 0.281 81 G HA3 0.089 4.058 3.960 0.015 0.000 0.281 81 G C 0.568 175.461 174.900 -0.011 0.000 1.382 81 G CA -0.457 44.644 45.100 0.002 0.000 1.045 81 G HN 0.178 nan 8.290 nan 0.000 0.533 82 E N -0.409 119.785 120.200 -0.011 0.000 2.489 82 E HA -0.000 4.359 4.350 0.015 0.000 0.193 82 E C 1.006 177.591 176.600 -0.025 0.000 1.057 82 E CA 0.140 56.529 56.400 -0.018 0.000 0.866 82 E CB 0.238 29.929 29.700 -0.016 0.000 0.916 82 E HN 0.535 nan 8.360 nan 0.000 0.500 83 E N 0.151 120.336 120.200 -0.025 0.000 2.542 83 E HA -0.004 4.356 4.350 0.015 0.000 0.224 83 E C 0.486 177.065 176.600 -0.036 0.000 1.110 83 E CA 0.176 56.555 56.400 -0.035 0.000 1.350 83 E CB 0.050 29.728 29.700 -0.036 0.000 1.302 83 E HN 0.104 nan 8.360 nan 0.000 0.435 84 T N -1.141 113.392 114.554 -0.035 0.000 3.025 84 T HA -0.090 4.269 4.350 0.015 0.000 0.270 84 T C 1.599 176.279 174.700 -0.034 0.000 1.126 84 T CA 0.458 62.536 62.100 -0.036 0.000 1.105 84 T CB -0.203 68.635 68.868 -0.051 0.000 0.884 84 T HN 0.175 nan 8.240 nan 0.000 0.522 85 I N 1.122 121.661 120.570 -0.051 0.000 2.494 85 I HA 0.055 4.234 4.170 0.015 0.000 0.250 85 I C 2.324 178.363 176.117 -0.129 0.000 1.112 85 I CA 0.864 62.120 61.300 -0.072 0.000 1.438 85 I CB -1.578 36.383 38.000 -0.064 0.000 1.111 85 I HN 0.256 nan 8.210 nan 0.000 0.431 86 T N 1.419 115.902 114.554 -0.119 0.000 3.366 86 T HA 0.400 4.759 4.350 0.015 0.000 0.249 86 T C 1.472 176.078 174.700 -0.158 0.000 1.028 86 T CA 0.559 62.567 62.100 -0.155 0.000 0.938 86 T CB -0.316 68.477 68.868 -0.126 0.000 1.046 86 T HN 0.307 nan 8.240 nan 0.000 0.587 87 A N 1.616 124.349 122.820 -0.145 0.000 1.833 87 A HA 0.190 4.520 4.320 0.015 0.000 0.215 87 A C 1.006 178.587 177.584 -0.006 0.000 1.275 87 A CA 0.713 52.729 52.037 -0.034 0.000 0.602 87 A CB -0.771 18.280 19.000 0.084 0.000 0.929 87 A HN 0.725 nan 8.150 nan 0.000 0.462 88 F N 0.809 120.741 119.950 -0.030 0.000 2.733 88 F HA 0.433 4.964 4.527 0.007 0.000 0.344 88 F C 0.886 176.700 175.800 0.024 0.000 1.179 88 F CA -0.311 57.702 58.000 0.021 0.000 1.316 88 F CB -0.763 38.252 39.000 0.025 0.000 1.577 88 F HN 0.049 nan 8.300 nan 0.000 0.591 89 V N -2.349 117.502 119.914 -0.104 0.000 2.500 89 V HA -0.057 4.072 4.120 0.015 0.000 0.243 89 V C 2.015 178.178 176.094 0.114 0.000 1.039 89 V CA 1.078 63.346 62.300 -0.054 0.000 1.053 89 V CB -0.712 31.035 31.823 -0.126 0.000 0.695 89 V HN 0.497 nan 8.190 nan 0.000 0.463 90 E N 1.281 121.551 120.200 0.116 0.000 2.049 90 E HA -0.173 4.186 4.350 0.015 0.000 0.198 90 E C 0.069 176.811 176.600 0.235 0.000 1.007 90 E CA 2.227 58.716 56.400 0.149 0.000 0.809 90 E CB -1.327 28.449 29.700 0.127 0.000 0.749 90 E HN 0.527 nan 8.360 nan 0.000 0.450 91 P HA -0.164 nan 4.420 nan 0.000 0.217 91 P C 0.840 178.398 177.300 0.431 0.000 1.148 91 P CA 1.241 64.602 63.100 0.435 0.000 0.828 91 P CB -0.004 32.151 31.700 0.758 0.000 0.783 92 F N -2.005 118.044 119.950 0.165 0.000 2.754 92 F HA 0.085 4.624 4.527 0.020 0.000 0.297 92 F C 2.084 177.923 175.800 0.065 0.000 1.122 92 F CA 0.276 58.341 58.000 0.108 0.000 1.400 92 F CB -0.558 38.535 39.000 0.155 0.000 1.117 92 F HN -0.238 nan 8.300 nan 0.000 0.587 93 V N -0.446 119.588 119.914 0.199 0.000 3.307 93 V HA -0.013 4.116 4.120 0.015 0.000 0.253 93 V C 1.986 178.130 176.094 0.083 0.000 1.149 93 V CA 0.711 63.081 62.300 0.117 0.000 1.112 93 V CB -0.093 31.798 31.823 0.112 0.000 0.777 93 V HN 0.042 nan 8.190 nan 0.000 0.464 94 I N 0.051 120.677 120.570 0.093 0.000 2.394 94 I HA -0.124 4.055 4.170 0.015 0.000 0.251 94 I C 2.212 178.350 176.117 0.035 0.000 1.136 94 I CA 1.762 63.104 61.300 0.070 0.000 1.425 94 I CB -0.745 37.308 38.000 0.088 0.000 1.079 94 I HN 0.386 nan 8.210 nan 0.000 0.425 95 L N -0.335 120.887 121.223 -0.000 0.000 2.513 95 L HA 0.094 4.443 4.340 0.015 0.000 0.222 95 L C 1.880 178.696 176.870 -0.089 0.000 1.096 95 L CA 0.743 55.543 54.840 -0.066 0.000 0.857 95 L CB 0.053 42.007 42.059 -0.175 0.000 1.026 95 L HN 0.045 nan 8.230 nan 0.000 0.469 96 L N -0.843 120.341 121.223 -0.065 0.000 2.270 96 L HA 0.082 4.431 4.340 0.015 0.000 0.210 96 L C 1.977 178.839 176.870 -0.013 0.000 1.104 96 L CA 1.380 56.191 54.840 -0.049 0.000 0.804 96 L CB -0.196 41.855 42.059 -0.014 0.000 0.937 96 L HN 0.292 nan 8.230 nan 0.000 0.450 97 I N -1.485 119.088 120.570 0.005 0.000 3.059 97 I HA -0.128 4.052 4.170 0.015 0.000 0.270 97 I C 1.755 177.872 176.117 0.000 0.000 1.238 97 I CA 0.497 61.802 61.300 0.007 0.000 1.478 97 I CB 0.353 38.365 38.000 0.020 0.000 1.097 97 I HN 0.294 nan 8.210 nan 0.000 0.455 98 L N 0.286 121.513 121.223 0.007 0.000 2.202 98 L HA 0.018 4.368 4.340 0.015 0.000 0.205 98 L C 1.995 178.879 176.870 0.022 0.000 1.083 98 L CA 1.180 56.032 54.840 0.020 0.000 0.790 98 L CB -0.249 41.844 42.059 0.057 0.000 0.942 98 L HN 0.088 nan 8.230 nan 0.000 0.452 99 I N -0.558 120.021 120.570 0.016 0.000 2.617 99 I HA -0.071 4.109 4.170 0.015 0.000 0.256 99 I C 2.503 178.620 176.117 0.001 0.000 1.167 99 I CA 1.099 62.411 61.300 0.021 0.000 1.469 99 I CB -1.732 36.260 38.000 -0.012 0.000 1.098 99 I HN 0.191 nan 8.210 nan 0.000 0.436 100 A N 1.267 124.080 122.820 -0.011 0.000 1.832 100 A HA -0.177 4.153 4.320 0.015 0.000 0.214 100 A C 2.097 179.667 177.584 -0.023 0.000 1.200 100 A CA 1.607 53.633 52.037 -0.018 0.000 0.610 100 A CB -0.738 18.251 19.000 -0.019 0.000 0.842 100 A HN 0.351 nan 8.150 nan 0.000 0.444 101 N N 0.453 119.134 118.700 -0.031 0.000 2.205 101 N HA -0.122 4.627 4.740 0.015 0.000 0.186 101 N C 1.729 177.206 175.510 -0.054 0.000 1.015 101 N CA 1.504 54.529 53.050 -0.042 0.000 0.862 101 N CB -0.486 37.971 38.487 -0.050 0.000 0.986 101 N HN 0.502 nan 8.380 nan 0.000 0.429 102 A N 0.641 123.420 122.820 -0.069 0.000 1.930 102 A HA 0.012 4.341 4.320 0.015 0.000 0.215 102 A C 1.876 179.442 177.584 -0.029 0.000 1.176 102 A CA 0.616 52.590 52.037 -0.105 0.000 0.632 102 A CB -0.130 18.782 19.000 -0.147 0.000 0.819 102 A HN 0.113 nan 8.150 nan 0.000 0.445 103 I N 0.784 121.357 120.570 0.006 0.000 3.111 103 I HA -0.098 4.081 4.170 0.015 0.000 0.272 103 I C 2.360 178.519 176.117 0.071 0.000 1.268 103 I CA 1.174 62.501 61.300 0.043 0.000 1.467 103 I CB -0.997 37.024 38.000 0.035 0.000 1.087 103 I HN 0.350 nan 8.210 nan 0.000 0.467 104 V N -0.574 119.368 119.914 0.048 0.000 2.649 104 V HA 0.152 4.281 4.120 0.015 0.000 0.248 104 V C 2.359 178.508 176.094 0.092 0.000 1.054 104 V CA 1.464 63.816 62.300 0.087 0.000 1.073 104 V CB -1.347 30.504 31.823 0.046 0.000 0.699 104 V HN 0.275 nan 8.190 nan 0.000 0.463 105 G N 0.438 109.259 108.800 0.036 0.000 2.442 105 G HA2 -0.177 3.793 3.960 0.015 0.000 0.219 105 G HA3 -0.177 3.793 3.960 0.015 0.000 0.219 105 G C 1.469 176.390 174.900 0.035 0.000 1.141 105 G CA 1.612 46.720 45.100 0.013 0.000 0.763 105 G HN 0.522 nan 8.290 nan 0.000 0.554 106 V N -1.521 118.434 119.914 0.069 0.000 2.825 106 V HA 0.096 4.225 4.120 0.015 0.000 0.246 106 V C 1.941 178.102 176.094 0.112 0.000 1.068 106 V CA 0.668 63.014 62.300 0.076 0.000 1.088 106 V CB -0.244 31.632 31.823 0.089 0.000 0.733 106 V HN 0.590 nan 8.190 nan 0.000 0.468 107 W N 0.732 122.031 121.300 -0.002 0.000 3.077 107 W HA -0.014 4.653 4.660 0.012 0.000 0.245 107 W C 2.052 178.566 176.519 -0.008 0.000 1.316 107 W CA 1.028 58.372 57.345 -0.001 0.000 1.537 107 W CB 0.226 29.686 29.460 -0.001 0.000 1.131 107 W HN 0.232 nan 8.180 nan 0.000 0.695 108 Q N -0.372 119.439 119.800 0.019 0.000 2.396 108 Q HA -0.066 4.283 4.340 0.015 0.000 0.209 108 Q C 1.397 177.307 176.000 -0.150 0.000 0.906 108 Q CA 0.778 56.514 55.803 -0.112 0.000 0.927 108 Q CB 0.343 29.087 28.738 0.010 0.000 1.069 108 Q HN 0.186 nan 8.270 nan 0.000 0.523 109 E N 0.182 120.320 120.200 -0.103 0.000 2.251 109 E HA -0.020 4.339 4.350 0.015 0.000 0.194 109 E C 1.132 177.663 176.600 -0.116 0.000 0.964 109 E CA 0.298 56.643 56.400 -0.091 0.000 0.868 109 E CB 0.043 29.715 29.700 -0.047 0.000 0.828 109 E HN -0.014 nan 8.360 nan 0.000 0.481 110 R N 1.936 122.361 120.500 -0.125 0.000 2.526 110 R HA 0.066 4.415 4.340 0.015 0.000 0.223 110 R C 0.731 176.912 176.300 -0.199 0.000 1.250 110 R CA 0.224 56.249 56.100 -0.124 0.000 1.227 110 R CB -0.631 29.631 30.300 -0.063 0.000 1.109 110 R HN 0.011 nan 8.270 nan 0.000 0.499 111 N N -0.529 118.033 118.700 -0.230 0.000 2.510 111 N HA 0.146 4.895 4.740 0.015 0.000 0.186 111 N C -0.148 175.267 175.510 -0.159 0.000 1.051 111 N CA 0.649 53.550 53.050 -0.249 0.000 0.877 111 N CB 0.012 38.301 38.487 -0.330 0.000 1.183 111 N HN 0.191 nan 8.380 nan 0.000 0.443 112 A N 2.097 124.839 122.820 -0.130 0.000 2.584 112 A HA 0.018 4.347 4.320 0.015 0.000 0.239 112 A C 0.190 177.723 177.584 -0.084 0.000 1.043 112 A CA 0.350 52.329 52.037 -0.096 0.000 0.756 112 A CB -0.304 18.647 19.000 -0.081 0.000 0.963 112 A HN 0.367 nan 8.150 nan 0.000 0.511 113 E N 2.515 122.672 120.200 -0.071 0.000 2.183 113 E HA 0.444 4.803 4.350 0.015 0.000 0.271 113 E C -0.787 175.785 176.600 -0.047 0.000 0.919 113 E CA -1.146 55.219 56.400 -0.058 0.000 0.781 113 E CB 1.039 30.707 29.700 -0.052 0.000 1.140 113 E HN 0.689 nan 8.360 nan 0.000 0.402 114 N N 1.655 120.330 118.700 -0.042 0.000 2.529 114 N HA 0.145 4.894 4.740 0.015 0.000 0.278 114 N C 0.405 175.902 175.510 -0.021 0.000 1.146 114 N CA -0.210 52.819 53.050 -0.034 0.000 0.980 114 N CB 1.463 39.929 38.487 -0.035 0.000 1.124 114 N HN 0.629 nan 8.380 nan 0.000 0.458 115 A N 2.382 125.192 122.820 -0.016 0.000 1.969 115 A HA -0.051 4.278 4.320 0.015 0.000 0.218 115 A C 1.950 179.539 177.584 0.010 0.000 1.169 115 A CA 0.721 52.758 52.037 -0.001 0.000 0.635 115 A CB -0.670 18.327 19.000 -0.005 0.000 0.810 115 A HN 0.778 nan 8.150 nan 0.000 0.445 116 I N -0.781 119.789 120.570 -0.001 0.000 2.394 116 I HA -0.170 4.010 4.170 0.015 0.000 0.251 116 I C 2.542 178.666 176.117 0.012 0.000 1.136 116 I CA 1.351 62.654 61.300 0.005 0.000 1.425 116 I CB -0.329 37.668 38.000 -0.006 0.000 1.079 116 I HN 0.460 nan 8.210 nan 0.000 0.425 117 E N 1.486 121.685 120.200 -0.001 0.000 2.112 117 E HA -0.132 4.227 4.350 0.015 0.000 0.190 117 E C 2.276 178.875 176.600 -0.002 0.000 0.979 117 E CA 1.050 57.446 56.400 -0.006 0.000 0.814 117 E CB 0.172 29.860 29.700 -0.021 0.000 0.762 117 E HN 0.400 nan 8.360 nan 0.000 0.460 118 A N 1.280 124.103 122.820 0.006 0.000 1.940 118 A HA -0.187 4.142 4.320 0.015 0.000 0.219 118 A C 2.158 179.784 177.584 0.070 0.000 1.176 118 A CA 1.290 53.337 52.037 0.016 0.000 0.631 118 A CB -0.516 18.501 19.000 0.028 0.000 0.814 118 A HN 0.324 nan 8.150 nan 0.000 0.446 119 L N -0.512 120.778 121.223 0.111 0.000 2.131 119 L HA 0.041 4.391 4.340 0.015 0.000 0.206 119 L C 1.741 178.746 176.870 0.226 0.000 1.087 119 L CA 1.738 56.709 54.840 0.218 0.000 0.767 119 L CB -0.300 41.824 42.059 0.109 0.000 0.917 119 L HN 0.254 nan 8.230 nan 0.000 0.441 120 K N 0.013 120.471 120.400 0.096 0.000 2.611 120 K HA -0.041 4.288 4.320 0.015 0.000 0.193 120 K C 1.113 177.723 176.600 0.016 0.000 1.026 120 K CA 0.316 56.641 56.287 0.063 0.000 1.063 120 K CB -0.053 32.463 32.500 0.027 0.000 0.839 120 K HN 0.489 nan 8.250 nan 0.000 0.505 121 E N -0.471 119.702 120.200 -0.046 0.000 2.474 121 E HA -0.050 4.309 4.350 0.015 0.000 0.194 121 E C 0.315 176.761 176.600 -0.257 0.000 1.041 121 E CA 0.423 56.712 56.400 -0.185 0.000 0.874 121 E CB 0.268 29.789 29.700 -0.298 0.000 0.914 121 E HN 0.385 nan 8.360 nan 0.000 0.498 122 Y N 1.228 121.527 120.300 -0.001 0.000 2.462 122 Y HA 0.136 4.695 4.550 0.015 0.000 0.293 122 Y C 0.268 176.172 175.900 0.007 0.000 1.195 122 Y CA 0.212 58.314 58.100 0.004 0.000 1.276 122 Y CB 0.341 38.804 38.460 0.005 0.000 1.082 122 Y HN -0.137 nan 8.280 nan 0.000 0.514 123 E N 2.856 123.109 120.200 0.089 0.000 2.055 123 E HA 0.185 4.544 4.350 0.015 0.000 0.274 123 E C -2.350 174.266 176.600 0.028 0.000 0.949 123 E CA -2.276 54.160 56.400 0.060 0.000 0.775 123 E CB 0.770 30.497 29.700 0.045 0.000 1.097 123 E HN 0.049 nan 8.360 nan 0.000 0.404 124 P HA -0.064 nan 4.420 nan 0.000 0.268 124 P C 0.418 177.722 177.300 0.006 0.000 1.205 124 P CA 0.202 63.310 63.100 0.013 0.000 0.771 124 P CB 1.247 32.957 31.700 0.017 0.000 0.858 125 E N 2.282 122.481 120.200 -0.003 0.000 2.051 125 E HA -0.108 4.251 4.350 0.015 0.000 0.192 125 E C 0.260 176.859 176.600 -0.002 0.000 0.991 125 E CA 1.070 57.468 56.400 -0.004 0.000 0.799 125 E CB 0.082 29.776 29.700 -0.010 0.000 0.748 125 E HN 0.374 nan 8.360 nan 0.000 0.449 126 M N -0.079 119.517 119.600 -0.005 0.000 2.644 126 M HA 0.495 4.984 4.480 0.015 0.000 0.316 126 M C 0.205 176.498 176.300 -0.012 0.000 1.200 126 M CA -0.566 54.728 55.300 -0.009 0.000 0.944 126 M CB 1.618 34.209 32.600 -0.015 0.000 1.691 126 M HN 0.049 nan 8.290 nan 0.000 0.471 127 G N 1.109 109.897 108.800 -0.020 0.000 2.571 127 G HA2 0.659 4.628 3.960 0.015 0.000 0.304 127 G HA3 0.659 4.628 3.960 0.015 0.000 0.304 127 G C -1.333 173.534 174.900 -0.055 0.000 1.314 127 G CA -0.746 44.336 45.100 -0.030 0.000 0.975 127 G HN 0.595 nan 8.290 nan 0.000 0.485 128 K N 0.966 121.319 120.400 -0.078 0.000 2.281 128 K HA 0.494 4.823 4.320 0.015 0.000 0.272 128 K C 0.049 176.536 176.600 -0.187 0.000 1.048 128 K CA -0.607 55.596 56.287 -0.141 0.000 0.898 128 K CB 1.861 34.268 32.500 -0.155 0.000 1.128 128 K HN 0.452 nan 8.250 nan 0.000 0.460 129 V N 0.057 119.849 119.914 -0.204 0.000 2.881 129 V HA 0.489 4.618 4.120 0.015 0.000 0.316 129 V C -0.881 175.018 176.094 -0.325 0.000 1.070 129 V CA -1.026 61.166 62.300 -0.181 0.000 0.976 129 V CB 0.766 32.541 31.823 -0.079 0.000 1.038 129 V HN 0.555 nan 8.190 nan 0.000 0.446 130 Y N 1.895 122.188 120.300 -0.012 0.000 2.385 130 Y HA 0.697 5.257 4.550 0.015 0.000 0.341 130 Y C 0.674 176.565 175.900 -0.014 0.000 0.965 130 Y CA -0.273 57.821 58.100 -0.009 0.000 1.180 130 Y CB 1.352 39.809 38.460 -0.005 0.000 1.139 130 Y HN 0.616 nan 8.280 nan 0.000 0.502 131 R N 0.779 121.349 120.500 0.117 0.000 2.856 131 R HA 0.650 5.000 4.340 0.015 0.000 0.258 131 R C 0.746 177.085 176.300 0.065 0.000 1.066 131 R CA -0.281 55.857 56.100 0.062 0.000 1.045 131 R CB 1.282 31.592 30.300 0.015 0.000 1.178 131 R HN 0.757 nan 8.270 nan 0.000 0.499 132 A N 0.743 123.584 122.820 0.035 0.000 1.968 132 A HA -0.141 4.188 4.320 0.015 0.000 0.217 132 A C 1.085 178.685 177.584 0.026 0.000 1.169 132 A CA 1.663 53.718 52.037 0.029 0.000 0.638 132 A CB -0.470 18.539 19.000 0.015 0.000 0.812 132 A HN 0.855 nan 8.150 nan 0.000 0.446 133 D N -0.797 119.615 120.400 0.020 0.000 2.392 133 D HA -0.009 4.640 4.640 0.015 0.000 0.228 133 D C 0.620 176.934 176.300 0.023 0.000 1.003 133 D CA 0.475 54.485 54.000 0.017 0.000 0.917 133 D CB -0.150 40.655 40.800 0.009 0.000 0.890 133 D HN 0.431 nan 8.370 nan 0.000 0.532 134 R N -1.361 119.162 120.500 0.038 0.000 2.643 134 R HA 0.243 4.593 4.340 0.015 0.000 0.269 134 R C 0.217 176.560 176.300 0.071 0.000 1.037 134 R CA -0.849 55.278 56.100 0.046 0.000 0.894 134 R CB 1.334 31.659 30.300 0.041 0.000 1.238 134 R HN -0.196 nan 8.270 nan 0.000 0.459 135 K N 0.647 121.084 120.400 0.062 0.000 2.167 135 K HA 0.125 4.454 4.320 0.015 0.000 0.203 135 K C 0.100 176.778 176.600 0.129 0.000 1.052 135 K CA 1.289 57.617 56.287 0.069 0.000 0.956 135 K CB 0.233 32.757 32.500 0.041 0.000 0.735 135 K HN 0.461 nan 8.250 nan 0.000 0.451 136 S N 0.202 115.972 115.700 0.116 0.000 2.603 136 S HA 0.161 4.640 4.470 0.015 0.000 0.268 136 S C -0.310 174.375 174.600 0.142 0.000 1.317 136 S CA -0.692 57.588 58.200 0.133 0.000 1.012 136 S CB 1.644 64.881 63.200 0.062 0.000 0.926 136 S HN 0.109 nan 8.310 nan 0.000 0.539 137 V N 1.335 121.283 119.914 0.056 0.000 2.924 137 V HA 0.200 4.329 4.120 0.015 0.000 0.305 137 V C -0.471 175.513 176.094 -0.184 0.000 1.073 137 V CA 0.203 62.308 62.300 -0.326 0.000 1.098 137 V CB 1.134 32.668 31.823 -0.482 0.000 1.000 137 V HN 0.882 nan 8.190 nan 0.000 0.484 138 Q N 5.045 124.712 119.800 -0.222 0.000 2.320 138 Q HA 0.458 4.807 4.340 0.015 0.000 0.268 138 Q C -0.873 175.059 176.000 -0.114 0.000 1.023 138 Q CA -0.426 55.306 55.803 -0.118 0.000 0.744 138 Q CB 1.920 30.612 28.738 -0.078 0.000 1.246 138 Q HN 0.676 nan 8.270 nan 0.000 0.462 139 R N 3.030 123.481 120.500 -0.081 0.000 2.316 139 R HA 0.379 4.728 4.340 0.015 0.000 0.314 139 R C 0.119 176.394 176.300 -0.042 0.000 1.069 139 R CA 0.221 56.284 56.100 -0.061 0.000 0.959 139 R CB 0.288 30.561 30.300 -0.045 0.000 0.987 139 R HN 0.597 nan 8.270 nan 0.000 0.446 140 I N -1.477 119.072 120.570 -0.036 0.000 3.145 140 I HA 0.468 4.647 4.170 0.015 0.000 0.313 140 I C -0.619 175.492 176.117 -0.009 0.000 1.122 140 I CA -1.413 59.876 61.300 -0.019 0.000 0.987 140 I CB 2.034 40.024 38.000 -0.017 0.000 1.236 140 I HN 0.192 nan 8.210 nan 0.000 0.453 141 K N 2.601 123.003 120.400 0.004 0.000 2.436 141 K HA 0.141 4.470 4.320 0.015 0.000 0.282 141 K C 0.965 177.577 176.600 0.019 0.000 1.044 141 K CA 0.509 56.803 56.287 0.012 0.000 1.028 141 K CB 1.230 33.743 32.500 0.022 0.000 0.919 141 K HN 0.817 nan 8.250 nan 0.000 0.474 142 A N 4.472 127.301 122.820 0.014 0.000 2.084 142 A HA -0.237 4.092 4.320 0.015 0.000 0.221 142 A C 1.867 179.474 177.584 0.039 0.000 1.161 142 A CA 1.636 53.683 52.037 0.018 0.000 0.653 142 A CB -0.323 18.686 19.000 0.015 0.000 0.802 142 A HN 0.808 nan 8.150 nan 0.000 0.457 143 R N -1.265 119.269 120.500 0.057 0.000 2.275 143 R HA 0.053 4.402 4.340 0.015 0.000 0.199 143 R C -0.149 176.256 176.300 0.174 0.000 0.989 143 R CA 1.078 57.239 56.100 0.103 0.000 1.016 143 R CB -0.199 30.150 30.300 0.081 0.000 0.918 143 R HN 0.205 nan 8.270 nan 0.000 0.473 144 D N 1.595 122.069 120.400 0.123 0.000 2.342 144 D HA 0.108 4.757 4.640 0.015 0.000 0.221 144 D C 0.519 176.845 176.300 0.043 0.000 1.101 144 D CA -0.074 53.997 54.000 0.120 0.000 0.837 144 D CB 0.343 41.200 40.800 0.095 0.000 0.938 144 D HN 0.396 nan 8.370 nan 0.000 0.508 145 I N 0.203 120.792 120.570 0.031 0.000 2.428 145 I HA 0.271 4.450 4.170 0.015 0.000 0.289 145 I C -0.133 175.984 176.117 -0.000 0.000 1.019 145 I CA -0.656 60.645 61.300 0.002 0.000 1.351 145 I CB 1.161 39.154 38.000 -0.013 0.000 1.412 145 I HN -0.292 nan 8.210 nan 0.000 0.513 146 V N 3.564 123.475 119.914 -0.005 0.000 2.881 146 V HA 0.693 4.822 4.120 0.015 0.000 0.316 146 V C -2.577 173.478 176.094 -0.065 0.000 1.070 146 V CA -2.622 59.698 62.300 0.033 0.000 0.976 146 V CB 0.782 32.694 31.823 0.148 0.000 1.038 146 V HN 0.662 nan 8.190 nan 0.000 0.446 147 P HA 0.320 nan 4.420 nan 0.000 0.265 147 P C 0.974 177.867 177.300 -0.678 0.000 1.187 147 P CA 1.848 64.677 63.100 -0.452 0.000 0.766 147 P CB 0.706 32.033 31.700 -0.622 0.000 0.820 148 G N 1.975 110.143 108.800 -1.053 0.000 2.349 148 G HA2 -0.171 3.798 3.960 0.015 0.000 0.213 148 G HA3 -0.171 3.798 3.960 0.015 0.000 0.213 148 G C -0.237 174.478 174.900 -0.309 0.000 1.044 148 G CA 0.065 44.543 45.100 -1.038 0.000 0.633 148 G HN 0.669 nan 8.290 nan 0.000 0.506 149 D N 2.027 122.321 120.400 -0.176 0.000 2.344 149 D HA 0.472 5.121 4.640 0.015 0.000 0.244 149 D C 0.726 177.007 176.300 -0.032 0.000 1.134 149 D CA -0.756 53.203 54.000 -0.068 0.000 0.930 149 D CB 0.664 41.438 40.800 -0.044 0.000 1.175 149 D HN 0.171 nan 8.370 nan 0.000 0.437 150 I N 0.953 121.542 120.570 0.032 0.000 2.556 150 I HA 0.099 4.278 4.170 0.015 0.000 0.284 150 I C 0.267 176.432 176.117 0.081 0.000 1.114 150 I CA -0.507 60.844 61.300 0.085 0.000 1.418 150 I CB 0.428 38.522 38.000 0.156 0.000 1.394 150 I HN 0.199 nan 8.210 nan 0.000 0.552 151 V N 6.758 126.708 119.914 0.059 0.000 2.604 151 V HA 0.380 4.510 4.120 0.015 0.000 0.305 151 V C 0.076 176.197 176.094 0.045 0.000 1.043 151 V CA -0.725 61.584 62.300 0.015 0.000 0.888 151 V CB 2.414 34.230 31.823 -0.013 0.000 0.995 151 V HN 0.733 nan 8.190 nan 0.000 0.429 152 E N 2.882 123.082 120.200 -0.001 0.000 2.212 152 E HA 0.740 5.099 4.350 0.015 0.000 0.268 152 E C -1.506 175.092 176.600 -0.003 0.000 0.902 152 E CA -0.455 55.962 56.400 0.028 0.000 0.779 152 E CB 2.265 31.979 29.700 0.023 0.000 1.172 152 E HN 0.599 nan 8.360 nan 0.000 0.409 153 V N -0.429 119.493 119.914 0.014 0.000 3.114 153 V HA 1.017 5.146 4.120 0.015 0.000 0.308 153 V C -1.178 174.927 176.094 0.017 0.000 1.168 153 V CA -0.454 61.850 62.300 0.007 0.000 1.015 153 V CB 1.393 33.218 31.823 0.004 0.000 1.050 153 V HN 0.826 nan 8.190 nan 0.000 0.433 154 A N 1.545 124.374 122.820 0.016 0.000 2.602 154 A HA 0.881 5.210 4.320 0.015 0.000 0.290 154 A C -0.235 177.362 177.584 0.021 0.000 1.114 154 A CA -0.239 51.811 52.037 0.022 0.000 0.683 154 A CB 1.300 20.313 19.000 0.022 0.000 1.281 154 A HN 2.493 nan 8.150 nan 0.000 0.416 155 V N -0.559 119.370 119.914 0.025 0.000 2.780 155 V HA 0.329 4.458 4.120 0.015 0.000 0.301 155 V C 1.479 177.585 176.094 0.020 0.000 1.168 155 V CA 1.005 63.319 62.300 0.024 0.000 1.305 155 V CB -0.595 31.244 31.823 0.026 0.000 0.858 155 V HN 2.847 nan 8.190 nan 0.000 0.502 156 G N 2.562 111.374 108.800 0.021 0.000 2.267 156 G HA2 -0.249 3.720 3.960 0.015 0.000 0.257 156 G HA3 -0.249 3.720 3.960 0.015 0.000 0.257 156 G C -0.056 174.855 174.900 0.018 0.000 0.998 156 G CA 0.358 45.469 45.100 0.018 0.000 0.620 156 G HN 0.957 nan 8.290 nan 0.000 0.529 157 D N 0.936 121.347 120.400 0.018 0.000 2.414 157 D HA 0.435 5.085 4.640 0.015 0.000 0.242 157 D C 0.606 176.921 176.300 0.026 0.000 1.129 157 D CA 0.336 54.346 54.000 0.016 0.000 0.885 157 D CB 0.747 41.554 40.800 0.011 0.000 1.198 157 D HN 0.325 nan 8.370 nan 0.000 0.437 158 K N 1.054 121.471 120.400 0.029 0.000 2.201 158 K HA 0.283 4.612 4.320 0.015 0.000 0.278 158 K C -0.777 175.846 176.600 0.038 0.000 1.027 158 K CA -0.754 55.561 56.287 0.047 0.000 0.909 158 K CB 0.972 33.504 32.500 0.053 0.000 1.062 158 K HN 0.159 nan 8.250 nan 0.000 0.465 159 V N 7.004 126.943 119.914 0.043 0.000 2.540 159 V HA -0.018 4.111 4.120 0.015 0.000 0.297 159 V C -1.701 174.414 176.094 0.036 0.000 1.024 159 V CA -0.839 61.479 62.300 0.030 0.000 1.105 159 V CB 0.740 32.578 31.823 0.026 0.000 0.938 159 V HN 0.807 nan 8.190 nan 0.000 0.482 160 P HA 0.179 nan 4.420 nan 0.000 0.217 160 P C 0.249 177.561 177.300 0.019 0.000 1.153 160 P CA 0.992 64.103 63.100 0.019 0.000 0.843 160 P CB 0.478 32.179 31.700 0.003 0.000 0.794 161 A N -1.040 121.784 122.820 0.007 0.000 2.524 161 A HA 0.570 4.899 4.320 0.015 0.000 0.286 161 A C -1.399 176.188 177.584 0.005 0.000 1.203 161 A CA -0.473 51.567 52.037 0.004 0.000 0.736 161 A CB 0.197 19.185 19.000 -0.021 0.000 1.322 161 A HN -0.197 nan 8.150 nan 0.000 0.424 162 D N 0.412 120.818 120.400 0.011 0.000 2.295 162 D HA 0.557 5.206 4.640 0.015 0.000 0.248 162 D C -0.922 175.348 176.300 -0.050 0.000 1.154 162 D CA 0.857 54.862 54.000 0.009 0.000 0.857 162 D CB 0.655 41.508 40.800 0.089 0.000 1.117 162 D HN 0.347 nan 8.370 nan 0.000 0.468 163 I N 2.209 122.712 120.570 -0.110 0.000 2.499 163 I HA 0.243 4.422 4.170 0.015 0.000 0.288 163 I C -0.154 175.890 176.117 -0.121 0.000 1.048 163 I CA -1.077 60.165 61.300 -0.096 0.000 1.062 163 I CB 1.637 39.587 38.000 -0.084 0.000 1.238 163 I HN 0.059 nan 8.210 nan 0.000 0.426 164 R N 6.726 127.188 120.500 -0.063 0.000 2.489 164 R HA 0.374 4.723 4.340 0.015 0.000 0.287 164 R C -0.958 175.319 176.300 -0.038 0.000 1.053 164 R CA 0.189 56.262 56.100 -0.045 0.000 1.036 164 R CB 0.182 30.485 30.300 0.006 0.000 0.966 164 R HN 0.491 nan 8.270 nan 0.000 0.432 165 I N 6.559 127.101 120.570 -0.047 0.000 2.395 165 I HA 0.047 4.226 4.170 0.015 0.000 0.289 165 I C 0.909 177.029 176.117 0.006 0.000 1.023 165 I CA -0.208 61.075 61.300 -0.029 0.000 1.350 165 I CB 0.996 38.969 38.000 -0.044 0.000 1.409 165 I HN 0.601 nan 8.210 nan 0.000 0.507 166 L N 3.449 124.682 121.223 0.017 0.000 2.388 166 L HA 0.208 4.557 4.340 0.015 0.000 0.209 166 L C 0.765 177.651 176.870 0.027 0.000 1.061 166 L CA 0.608 55.464 54.840 0.028 0.000 0.834 166 L CB 0.226 42.303 42.059 0.031 0.000 1.029 166 L HN 0.587 nan 8.230 nan 0.000 0.473 167 S N -0.311 115.404 115.700 0.025 0.000 2.603 167 S HA 0.502 4.981 4.470 0.015 0.000 0.274 167 S C -0.981 173.635 174.600 0.028 0.000 1.168 167 S CA -0.503 57.711 58.200 0.024 0.000 0.963 167 S CB 1.191 64.401 63.200 0.017 0.000 1.078 167 S HN 0.066 nan 8.310 nan 0.000 0.477 168 I N 5.668 126.256 120.570 0.030 0.000 2.310 168 I HA 0.313 4.493 4.170 0.015 0.000 0.287 168 I C 0.820 176.956 176.117 0.032 0.000 1.073 168 I CA -0.647 60.673 61.300 0.034 0.000 1.216 168 I CB 1.137 39.163 38.000 0.043 0.000 1.415 168 I HN 0.503 nan 8.210 nan 0.000 0.480 169 K N 2.716 123.136 120.400 0.033 0.000 2.281 169 K HA -0.044 4.285 4.320 0.015 0.000 0.203 169 K C 0.828 177.449 176.600 0.035 0.000 1.046 169 K CA 0.575 56.881 56.287 0.032 0.000 0.938 169 K CB -0.515 32.008 32.500 0.039 0.000 0.737 169 K HN 0.630 nan 8.250 nan 0.000 0.458 170 S N -0.927 114.799 115.700 0.044 0.000 2.745 170 S HA 0.202 4.681 4.470 0.015 0.000 0.292 170 S C 1.133 175.767 174.600 0.056 0.000 1.127 170 S CA -0.366 57.867 58.200 0.054 0.000 1.007 170 S CB 1.353 64.591 63.200 0.064 0.000 1.165 170 S HN 0.172 nan 8.310 nan 0.000 0.544 171 T N -0.787 113.812 114.554 0.074 0.000 3.148 171 T HA 0.227 4.586 4.350 0.015 0.000 0.253 171 T C 0.303 175.060 174.700 0.095 0.000 1.134 171 T CA 0.851 62.993 62.100 0.070 0.000 1.051 171 T CB -0.590 68.331 68.868 0.087 0.000 0.959 171 T HN 0.831 nan 8.240 nan 0.000 0.525 172 T N 0.375 114.996 114.554 0.112 0.000 3.559 172 T HA 0.430 4.789 4.350 0.015 0.000 0.391 172 T C -2.432 172.337 174.700 0.114 0.000 1.522 172 T CA -0.761 61.427 62.100 0.147 0.000 1.159 172 T CB 0.949 69.965 68.868 0.247 0.000 1.384 172 T HN 0.198 nan 8.240 nan 0.000 0.475 173 L N 5.395 126.677 121.223 0.098 0.000 2.305 173 L HA 0.743 5.093 4.340 0.015 0.000 0.284 173 L C -0.390 176.518 176.870 0.062 0.000 1.013 173 L CA -0.307 54.573 54.840 0.067 0.000 0.819 173 L CB 0.864 42.950 42.059 0.044 0.000 1.227 173 L HN 0.555 nan 8.230 nan 0.000 0.417 174 R N 4.947 125.477 120.500 0.050 0.000 2.310 174 R HA 0.603 4.953 4.340 0.015 0.000 0.324 174 R C -1.270 175.046 176.300 0.027 0.000 0.955 174 R CA -0.726 55.396 56.100 0.036 0.000 0.830 174 R CB 1.769 32.084 30.300 0.026 0.000 1.154 174 R HN 0.416 nan 8.270 nan 0.000 0.458 175 V N 1.957 121.886 119.914 0.025 0.000 2.667 175 V HA 0.157 4.286 4.120 0.015 0.000 0.308 175 V C -0.217 175.898 176.094 0.034 0.000 1.048 175 V CA -0.793 61.524 62.300 0.028 0.000 0.928 175 V CB 2.260 34.096 31.823 0.023 0.000 1.004 175 V HN 0.580 nan 8.190 nan 0.000 0.444 176 D N 2.951 123.374 120.400 0.038 0.000 2.373 176 D HA 0.336 4.985 4.640 0.015 0.000 0.227 176 D C 0.042 176.371 176.300 0.048 0.000 1.091 176 D CA -0.234 53.789 54.000 0.039 0.000 0.840 176 D CB 1.136 41.959 40.800 0.039 0.000 1.060 176 D HN 0.579 nan 8.370 nan 0.000 0.502 177 Q N 2.320 122.147 119.800 0.045 0.000 2.263 177 Q HA 0.152 4.501 4.340 0.015 0.000 0.337 177 Q C 0.730 176.728 176.000 -0.003 0.000 0.906 177 Q CA -0.294 55.534 55.803 0.041 0.000 1.124 177 Q CB 0.486 29.273 28.738 0.083 0.000 1.255 177 Q HN 0.444 nan 8.270 nan 0.000 0.435 178 S N -0.154 115.543 115.700 -0.005 0.000 2.481 178 S HA -0.088 4.391 4.470 0.015 0.000 0.231 178 S C 1.709 176.273 174.600 -0.061 0.000 0.996 178 S CA 0.128 58.317 58.200 -0.018 0.000 0.942 178 S CB -0.130 63.072 63.200 0.004 0.000 0.768 178 S HN 0.539 nan 8.310 nan 0.000 0.520 179 I N 0.139 120.649 120.570 -0.099 0.000 2.264 179 I HA -0.155 4.024 4.170 0.015 0.000 0.248 179 I C 1.438 177.448 176.117 -0.179 0.000 1.111 179 I CA 1.508 62.679 61.300 -0.214 0.000 1.382 179 I CB -0.026 37.808 38.000 -0.276 0.000 1.060 179 I HN 0.301 nan 8.210 nan 0.000 0.418 180 L N -0.345 120.797 121.223 -0.134 0.000 2.609 180 L HA 0.059 4.408 4.340 0.015 0.000 0.230 180 L C 2.231 179.036 176.870 -0.108 0.000 1.064 180 L CA 1.422 56.172 54.840 -0.150 0.000 0.873 180 L CB -0.164 41.761 42.059 -0.223 0.000 1.139 180 L HN 0.311 nan 8.230 nan 0.000 0.490 181 T N -5.393 109.119 114.554 -0.071 0.000 3.010 181 T HA 0.316 4.675 4.350 0.015 0.000 0.257 181 T C 1.480 176.162 174.700 -0.029 0.000 1.020 181 T CA 0.494 62.568 62.100 -0.043 0.000 0.938 181 T CB 0.504 69.358 68.868 -0.023 0.000 1.049 181 T HN 0.270 nan 8.240 nan 0.000 0.522 182 G N 1.722 110.501 108.800 -0.034 0.000 2.196 182 G HA2 -0.217 3.752 3.960 0.015 0.000 0.268 182 G HA3 -0.217 3.752 3.960 0.015 0.000 0.268 182 G C -0.240 174.654 174.900 -0.010 0.000 0.975 182 G CA 0.365 45.451 45.100 -0.023 0.000 0.648 182 G HN 0.650 nan 8.290 nan 0.000 0.538 183 E N 0.217 120.414 120.200 -0.005 0.000 2.171 183 E HA 0.489 4.848 4.350 0.015 0.000 0.271 183 E C 0.990 177.598 176.600 0.013 0.000 0.916 183 E CA 0.042 56.446 56.400 0.005 0.000 0.774 183 E CB 1.544 31.248 29.700 0.006 0.000 1.128 183 E HN 0.399 nan 8.360 nan 0.000 0.403 184 S N 1.006 116.719 115.700 0.021 0.000 2.528 184 S HA 0.034 4.513 4.470 0.015 0.000 0.219 184 S C 1.011 175.626 174.600 0.024 0.000 0.985 184 S CA -0.296 57.920 58.200 0.027 0.000 0.914 184 S CB 0.121 63.344 63.200 0.039 0.000 0.776 184 S HN 0.253 nan 8.310 nan 0.000 0.526 185 V N 3.075 123.002 119.914 0.021 0.000 2.720 185 V HA 0.047 4.176 4.120 0.015 0.000 0.307 185 V C 0.540 176.639 176.094 0.008 0.000 1.071 185 V CA 0.297 62.604 62.300 0.012 0.000 1.199 185 V CB 0.855 32.683 31.823 0.009 0.000 0.900 185 V HN 0.499 nan 8.190 nan 0.000 0.494 186 S N 4.019 119.716 115.700 -0.005 0.000 2.455 186 S HA 0.218 4.697 4.470 0.015 0.000 0.278 186 S C -0.207 174.392 174.600 -0.001 0.000 1.216 186 S CA -0.281 57.917 58.200 -0.003 0.000 1.055 186 S CB 1.022 64.212 63.200 -0.018 0.000 0.939 186 S HN 0.776 nan 8.310 nan 0.000 0.494 187 V N 6.321 126.247 119.914 0.019 0.000 2.530 187 V HA 0.465 4.594 4.120 0.015 0.000 0.282 187 V C -0.253 175.863 176.094 0.037 0.000 1.048 187 V CA -0.356 61.962 62.300 0.031 0.000 0.997 187 V CB 0.454 32.303 31.823 0.043 0.000 0.987 187 V HN 0.740 nan 8.190 nan 0.000 0.477 188 I N 8.163 128.769 120.570 0.060 0.000 2.291 188 I HA 0.362 4.542 4.170 0.015 0.000 0.292 188 I C 0.478 176.650 176.117 0.091 0.000 1.064 188 I CA -0.363 60.995 61.300 0.097 0.000 1.269 188 I CB 0.581 38.685 38.000 0.174 0.000 1.418 188 I HN 0.611 nan 8.210 nan 0.000 0.485 189 K N 5.357 125.783 120.400 0.043 0.000 2.138 189 K HA 0.430 4.759 4.320 0.015 0.000 0.251 189 K C -0.258 176.372 176.600 0.051 0.000 1.015 189 K CA -0.377 55.889 56.287 -0.034 0.000 0.917 189 K CB 0.996 33.452 32.500 -0.073 0.000 1.021 189 K HN 0.696 nan 8.250 nan 0.000 0.485 190 H N -3.315 115.775 119.070 0.034 0.000 3.199 190 H HA 0.436 5.001 4.556 0.015 0.000 0.292 190 H C 0.122 175.462 175.328 0.020 0.000 1.600 190 H CA -0.729 55.337 56.048 0.030 0.000 1.235 190 H CB 0.787 30.570 29.762 0.036 0.000 1.839 190 H HN 0.354 nan 8.280 nan 0.000 0.623 191 T N -0.796 113.986 114.554 0.380 0.000 2.987 191 T HA 0.116 4.475 4.350 0.015 0.000 0.248 191 T C -0.131 174.715 174.700 0.243 0.000 0.997 191 T CA -0.048 62.180 62.100 0.212 0.000 1.013 191 T CB 0.010 68.942 68.868 0.107 0.000 1.077 191 T HN 0.441 nan 8.240 nan 0.000 0.483 192 E N 2.786 123.142 120.200 0.261 0.000 2.508 192 E HA 0.064 4.423 4.350 0.015 0.000 0.266 192 E C -2.451 174.264 176.600 0.191 0.000 1.010 192 E CA -1.538 54.926 56.400 0.107 0.000 0.955 192 E CB -0.187 29.436 29.700 -0.128 0.000 0.946 192 E HN 0.214 nan 8.360 nan 0.000 0.454 193 P HA -0.073 nan 4.420 nan 0.000 0.266 193 P C -0.573 176.813 177.300 0.144 0.000 1.186 193 P CA 0.341 63.496 63.100 0.092 0.000 0.767 193 P CB 0.433 32.154 31.700 0.034 0.000 0.820 194 V N 5.767 125.774 119.914 0.155 0.000 2.289 194 V HA 0.170 4.299 4.120 0.015 0.000 0.272 194 V C -1.629 174.555 176.094 0.150 0.000 1.026 194 V CA -1.159 61.270 62.300 0.216 0.000 0.807 194 V CB 1.312 33.331 31.823 0.326 0.000 1.044 194 V HN 0.522 nan 8.190 nan 0.000 0.443 195 P HA -0.038 nan 4.420 nan 0.000 0.222 195 P C 0.495 177.806 177.300 0.018 0.000 1.153 195 P CA 0.625 63.728 63.100 0.006 0.000 0.798 195 P CB 0.237 31.949 31.700 0.020 0.000 0.796 196 D N 0.668 121.128 120.400 0.101 0.000 2.382 196 D HA -0.000 4.649 4.640 0.015 0.000 0.259 196 D C -1.609 174.834 176.300 0.239 0.000 1.224 196 D CA -1.582 52.498 54.000 0.134 0.000 0.894 196 D CB 0.821 41.704 40.800 0.138 0.000 1.127 196 D HN 0.095 nan 8.370 nan 0.000 0.487 197 P HA 0.120 nan 4.420 nan 0.000 0.249 197 P C 0.580 177.998 177.300 0.196 0.000 1.229 197 P CA 0.314 63.521 63.100 0.178 0.000 0.788 197 P CB 0.402 32.142 31.700 0.066 0.000 1.072 198 R N -0.553 120.042 120.500 0.157 0.000 2.509 198 R HA 0.409 4.758 4.340 0.015 0.000 0.300 198 R C 0.367 176.733 176.300 0.109 0.000 0.985 198 R CA -0.365 55.805 56.100 0.116 0.000 1.092 198 R CB 0.521 30.875 30.300 0.089 0.000 1.237 198 R HN 0.052 nan 8.270 nan 0.000 0.546 199 A N 1.415 124.311 122.820 0.128 0.000 2.531 199 A HA 0.233 4.562 4.320 0.015 0.000 0.236 199 A C 0.751 178.338 177.584 0.005 0.000 1.062 199 A CA -0.245 51.835 52.037 0.073 0.000 0.760 199 A CB 0.235 19.285 19.000 0.082 0.000 0.995 199 A HN 0.150 nan 8.150 nan 0.000 0.501 200 V N 1.029 120.958 119.914 0.026 0.000 3.134 200 V HA 0.286 4.416 4.120 0.015 0.000 0.313 200 V C 1.049 177.129 176.094 -0.024 0.000 1.069 200 V CA -0.525 61.784 62.300 0.014 0.000 1.048 200 V CB 0.702 32.560 31.823 0.058 0.000 1.119 200 V HN 0.846 nan 8.190 nan 0.000 0.461 201 N N 1.074 119.726 118.700 -0.080 0.000 2.137 201 N HA -0.229 4.520 4.740 0.015 0.000 0.190 201 N C 1.554 177.093 175.510 0.049 0.000 1.017 201 N CA 1.962 54.956 53.050 -0.093 0.000 0.859 201 N CB -0.573 37.650 38.487 -0.439 0.000 1.002 201 N HN 0.843 nan 8.380 nan 0.000 0.428 202 Q N 0.357 120.166 119.800 0.015 0.000 2.297 202 Q HA -0.071 4.278 4.340 0.015 0.000 0.208 202 Q C 0.895 176.933 176.000 0.063 0.000 0.981 202 Q CA 1.016 56.844 55.803 0.042 0.000 0.876 202 Q CB 0.087 28.840 28.738 0.024 0.000 0.921 202 Q HN 0.368 nan 8.270 nan 0.000 0.446 203 D N -0.463 119.974 120.400 0.061 0.000 2.324 203 D HA 0.008 4.657 4.640 0.015 0.000 0.212 203 D C -0.068 176.282 176.300 0.083 0.000 0.984 203 D CA 0.425 54.469 54.000 0.074 0.000 0.885 203 D CB 0.245 41.086 40.800 0.068 0.000 0.996 203 D HN 0.138 nan 8.370 nan 0.000 0.505 204 K N 1.872 122.318 120.400 0.076 0.000 2.480 204 K HA 0.132 4.461 4.320 0.015 0.000 0.241 204 K C 0.775 177.378 176.600 0.005 0.000 1.261 204 K CA 0.042 56.365 56.287 0.060 0.000 1.193 204 K CB 0.329 32.880 32.500 0.084 0.000 1.598 204 K HN -0.036 nan 8.250 nan 0.000 0.278 205 K N 1.196 121.557 120.400 -0.064 0.000 2.555 205 K HA -0.063 4.266 4.320 0.015 0.000 0.193 205 K C 0.674 176.975 176.600 -0.499 0.000 1.032 205 K CA 0.583 56.731 56.287 -0.231 0.000 1.004 205 K CB 0.060 32.442 32.500 -0.196 0.000 0.804 205 K HN 0.430 nan 8.250 nan 0.000 0.496 206 N N -0.500 117.979 118.700 -0.369 0.000 2.177 206 N HA 0.042 4.791 4.740 0.015 0.000 0.218 206 N C -0.037 175.356 175.510 -0.195 0.000 1.182 206 N CA -0.065 52.814 53.050 -0.286 0.000 0.882 206 N CB 0.369 38.785 38.487 -0.119 0.000 1.052 206 N HN -0.125 nan 8.380 nan 0.000 0.519 207 M N 0.746 120.176 119.600 -0.283 0.000 2.578 207 M HA 0.457 4.946 4.480 0.015 0.000 0.321 207 M C -0.684 175.263 176.300 -0.589 0.000 1.182 207 M CA -0.657 54.378 55.300 -0.443 0.000 0.965 207 M CB 2.110 34.304 32.600 -0.677 0.000 1.694 207 M HN -0.055 nan 8.290 nan 0.000 0.461 208 L N 2.383 123.290 121.223 -0.527 0.000 2.313 208 L HA 0.515 4.864 4.340 0.015 0.000 0.283 208 L C -1.196 175.370 176.870 -0.505 0.000 1.013 208 L CA -0.474 54.103 54.840 -0.438 0.000 0.816 208 L CB 1.103 43.048 42.059 -0.191 0.000 1.236 208 L HN 0.464 nan 8.230 nan 0.000 0.419 209 F N 0.983 120.920 119.950 -0.022 0.000 2.408 209 F HA 0.228 4.764 4.527 0.015 0.000 0.344 209 F C 1.007 176.797 175.800 -0.017 0.000 1.112 209 F CA -0.505 57.480 58.000 -0.025 0.000 1.096 209 F CB 1.613 40.591 39.000 -0.036 0.000 1.129 209 F HN 0.367 nan 8.300 nan 0.000 0.486 210 S N 2.309 118.104 115.700 0.158 0.000 2.596 210 S HA 0.347 4.826 4.470 0.015 0.000 0.298 210 S C 1.086 175.746 174.600 0.100 0.000 1.255 210 S CA 0.906 59.164 58.200 0.097 0.000 1.083 210 S CB -0.334 62.910 63.200 0.074 0.000 0.837 210 S HN 1.261 nan 8.310 nan 0.000 0.499 211 G N 3.231 112.088 108.800 0.095 0.000 2.238 211 G HA2 -0.241 3.728 3.960 0.015 0.000 0.217 211 G HA3 -0.241 3.728 3.960 0.015 0.000 0.217 211 G C 0.331 175.292 174.900 0.102 0.000 0.996 211 G CA 0.298 45.463 45.100 0.109 0.000 0.632 211 G HN 1.420 nan 8.290 nan 0.000 0.503 212 T N 0.472 115.080 114.554 0.090 0.000 2.726 212 T HA 0.535 4.894 4.350 0.015 0.000 0.294 212 T C 0.147 174.895 174.700 0.081 0.000 1.013 212 T CA 0.391 62.541 62.100 0.084 0.000 0.996 212 T CB 1.489 70.422 68.868 0.109 0.000 1.016 212 T HN 1.074 nan 8.240 nan 0.000 0.529 213 N N -0.621 118.120 118.700 0.069 0.000 2.357 213 N HA 0.278 5.027 4.740 0.015 0.000 0.284 213 N C -1.222 174.312 175.510 0.041 0.000 1.236 213 N CA -1.007 52.077 53.050 0.056 0.000 0.774 213 N CB 1.365 39.888 38.487 0.061 0.000 1.534 213 N HN 0.449 nan 8.380 nan 0.000 0.478 214 I N 1.350 121.939 120.570 0.032 0.000 2.363 214 I HA 0.137 4.317 4.170 0.015 0.000 0.292 214 I C 1.717 177.851 176.117 0.028 0.000 1.075 214 I CA -0.364 60.952 61.300 0.027 0.000 1.333 214 I CB -0.141 37.873 38.000 0.023 0.000 1.415 214 I HN 0.808 nan 8.210 nan 0.000 0.502 215 A N 5.661 128.497 122.820 0.027 0.000 1.902 215 A HA 0.312 4.641 4.320 0.015 0.000 0.217 215 A C 1.070 178.669 177.584 0.024 0.000 1.181 215 A CA 1.488 53.539 52.037 0.023 0.000 0.623 215 A CB 0.030 19.040 19.000 0.017 0.000 0.818 215 A HN 0.895 nan 8.150 nan 0.000 0.443 216 A N -3.550 119.288 122.820 0.030 0.000 2.582 216 A HA 0.638 4.968 4.320 0.015 0.000 0.297 216 A C 0.206 177.817 177.584 0.045 0.000 1.059 216 A CA 0.230 52.289 52.037 0.038 0.000 0.705 216 A CB -0.030 18.995 19.000 0.042 0.000 1.279 216 A HN 2.231 nan 8.150 nan 0.000 0.404 217 G N 0.285 109.114 108.800 0.048 0.000 2.498 217 G HA2 0.413 4.382 3.960 0.015 0.000 0.651 217 G HA3 0.413 4.382 3.960 0.015 0.000 0.651 217 G C -0.735 174.190 174.900 0.043 0.000 1.284 217 G CA -0.082 45.048 45.100 0.051 0.000 0.950 217 G HN 1.339 nan 8.290 nan 0.000 0.511 218 K N -0.703 119.723 120.400 0.044 0.000 2.527 218 K HA 0.803 5.132 4.320 0.015 0.000 0.260 218 K C -0.555 176.070 176.600 0.041 0.000 0.937 218 K CA -0.078 56.234 56.287 0.042 0.000 0.826 218 K CB 1.888 34.415 32.500 0.046 0.000 1.359 218 K HN 2.132 nan 8.250 nan 0.000 0.434 219 A N 2.576 125.421 122.820 0.041 0.000 2.608 219 A HA 0.638 4.967 4.320 0.015 0.000 0.292 219 A C -2.290 175.324 177.584 0.050 0.000 1.066 219 A CA -0.693 51.366 52.037 0.038 0.000 0.676 219 A CB 1.430 20.443 19.000 0.022 0.000 1.277 219 A HN 0.496 nan 8.150 nan 0.000 0.413 220 L N 1.049 122.302 121.223 0.050 0.000 2.313 220 L HA 0.806 5.155 4.340 0.015 0.000 0.283 220 L C 0.469 177.363 176.870 0.040 0.000 1.013 220 L CA 0.540 55.420 54.840 0.066 0.000 0.816 220 L CB 1.756 43.856 42.059 0.069 0.000 1.236 220 L HN 1.154 nan 8.230 nan 0.000 0.419 221 G N 3.824 112.646 108.800 0.037 0.000 2.733 221 G HA2 0.564 4.533 3.960 0.015 0.000 0.288 221 G HA3 0.564 4.533 3.960 0.015 0.000 0.288 221 G C -1.791 173.121 174.900 0.020 0.000 1.373 221 G CA -0.600 44.510 45.100 0.017 0.000 0.895 221 G HN 0.663 nan 8.290 nan 0.000 0.479 222 I N 0.853 121.431 120.570 0.014 0.000 2.378 222 I HA 0.519 4.699 4.170 0.015 0.000 0.291 222 I C -0.171 175.923 176.117 -0.039 0.000 0.992 222 I CA -0.865 60.436 61.300 0.002 0.000 1.154 222 I CB 1.590 39.625 38.000 0.058 0.000 1.315 222 I HN 0.242 nan 8.210 nan 0.000 0.448 223 V N 8.314 128.169 119.914 -0.098 0.000 2.557 223 V HA 0.031 4.160 4.120 0.015 0.000 0.301 223 V C 1.219 177.232 176.094 -0.135 0.000 1.026 223 V CA 0.968 63.196 62.300 -0.119 0.000 1.137 223 V CB 0.580 32.316 31.823 -0.146 0.000 0.917 223 V HN 0.990 nan 8.190 nan 0.000 0.484 224 A N 4.455 127.242 122.820 -0.055 0.000 1.973 224 A HA 0.350 4.679 4.320 0.015 0.000 0.210 224 A C 0.965 178.534 177.584 -0.024 0.000 1.200 224 A CA 1.052 53.100 52.037 0.019 0.000 0.707 224 A CB 0.223 19.233 19.000 0.016 0.000 0.862 224 A HN 0.911 nan 8.150 nan 0.000 0.461 225 T N -3.117 111.398 114.554 -0.066 0.000 2.840 225 T HA 0.574 4.933 4.350 0.015 0.000 0.317 225 T C -0.587 174.071 174.700 -0.070 0.000 1.401 225 T CA 0.028 62.072 62.100 -0.093 0.000 1.028 225 T CB 1.454 70.297 68.868 -0.042 0.000 1.317 225 T HN 0.620 nan 8.240 nan 0.000 0.495 226 T N -2.043 112.469 114.554 -0.070 0.000 2.838 226 T HA 0.850 5.209 4.350 0.015 0.000 0.292 226 T C 1.003 175.709 174.700 0.011 0.000 1.113 226 T CA 0.036 62.122 62.100 -0.024 0.000 1.008 226 T CB 1.127 69.981 68.868 -0.025 0.000 1.259 226 T HN 2.210 nan 8.240 nan 0.000 0.520 227 G N 0.371 109.191 108.800 0.033 0.000 2.596 227 G HA2 -0.317 3.652 3.960 0.015 0.000 0.304 227 G HA3 -0.317 3.652 3.960 0.015 0.000 0.304 227 G C 1.011 175.932 174.900 0.035 0.000 1.189 227 G CA 1.657 46.785 45.100 0.046 0.000 0.986 227 G HN 2.124 nan 8.290 nan 0.000 0.548 228 V N -2.116 117.819 119.914 0.034 0.000 3.649 228 V HA 0.560 4.689 4.120 0.015 0.000 0.275 228 V C 1.523 177.627 176.094 0.017 0.000 1.281 228 V CA 1.764 64.078 62.300 0.023 0.000 1.143 228 V CB 0.612 32.448 31.823 0.022 0.000 0.892 228 V HN 0.903 nan 8.190 nan 0.000 0.441 229 S N 1.857 117.569 115.700 0.020 0.000 2.602 229 S HA 0.288 4.768 4.470 0.015 0.000 0.246 229 S C 0.723 175.331 174.600 0.014 0.000 1.009 229 S CA 0.365 58.574 58.200 0.015 0.000 1.052 229 S CB -0.435 62.773 63.200 0.013 0.000 0.778 229 S HN 0.926 nan 8.310 nan 0.000 0.455 230 T N -1.882 112.683 114.554 0.018 0.000 2.888 230 T HA 0.466 4.825 4.350 0.015 0.000 0.288 230 T C 0.648 175.355 174.700 0.011 0.000 1.063 230 T CA -0.786 61.335 62.100 0.034 0.000 1.010 230 T CB 1.302 70.197 68.868 0.044 0.000 1.214 230 T HN -0.172 nan 8.240 nan 0.000 0.533 231 E N -0.071 120.135 120.200 0.011 0.000 2.107 231 E HA -0.007 4.352 4.350 0.015 0.000 0.191 231 E C 1.758 178.308 176.600 -0.084 0.000 0.982 231 E CA 0.685 57.036 56.400 -0.081 0.000 0.809 231 E CB -0.109 29.458 29.700 -0.222 0.000 0.756 231 E HN 0.680 nan 8.360 nan 0.000 0.459 232 I N 0.393 120.935 120.570 -0.047 0.000 2.546 232 I HA -0.102 4.077 4.170 0.015 0.000 0.255 232 I C 2.093 178.193 176.117 -0.028 0.000 1.163 232 I CA 1.038 62.309 61.300 -0.049 0.000 1.457 232 I CB -0.117 37.870 38.000 -0.022 0.000 1.092 232 I HN 0.030 nan 8.210 nan 0.000 0.434 233 G N 0.926 109.719 108.800 -0.011 0.000 2.440 233 G HA2 -0.265 3.704 3.960 0.015 0.000 0.218 233 G HA3 -0.265 3.704 3.960 0.015 0.000 0.218 233 G C 1.683 176.572 174.900 -0.020 0.000 1.154 233 G CA 0.755 45.852 45.100 -0.005 0.000 0.767 233 G HN 0.354 nan 8.290 nan 0.000 0.552 234 K N 0.049 120.429 120.400 -0.034 0.000 2.057 234 K HA 0.017 4.346 4.320 0.015 0.000 0.207 234 K C 2.435 179.003 176.600 -0.053 0.000 1.049 234 K CA 1.035 57.294 56.287 -0.047 0.000 0.931 234 K CB -0.290 32.171 32.500 -0.065 0.000 0.714 234 K HN 0.333 nan 8.250 nan 0.000 0.440 235 I N 1.060 121.594 120.570 -0.060 0.000 2.151 235 I HA -0.319 3.860 4.170 0.015 0.000 0.243 235 I C 2.762 178.856 176.117 -0.040 0.000 1.080 235 I CA 1.186 62.452 61.300 -0.058 0.000 1.339 235 I CB -0.411 37.545 38.000 -0.073 0.000 1.039 235 I HN 0.219 nan 8.210 nan 0.000 0.409 236 R N 1.076 121.560 120.500 -0.028 0.000 2.105 236 R HA -0.215 4.134 4.340 0.015 0.000 0.239 236 R C 1.661 177.948 176.300 -0.020 0.000 1.135 236 R CA 1.972 58.062 56.100 -0.016 0.000 0.967 236 R CB -0.475 29.822 30.300 -0.004 0.000 0.861 236 R HN 0.349 nan 8.270 nan 0.000 0.442 237 D N 0.667 121.052 120.400 -0.024 0.000 2.178 237 D HA -0.116 4.534 4.640 0.015 0.000 0.202 237 D C 1.378 177.659 176.300 -0.032 0.000 0.974 237 D CA 1.004 54.989 54.000 -0.025 0.000 0.841 237 D CB 0.044 40.829 40.800 -0.025 0.000 0.953 237 D HN 0.475 nan 8.370 nan 0.000 0.478 238 Q N -0.735 119.042 119.800 -0.039 0.000 2.320 238 Q HA 0.129 4.478 4.340 0.015 0.000 0.201 238 Q C 1.271 177.248 176.000 -0.039 0.000 0.910 238 Q CA 0.085 55.862 55.803 -0.044 0.000 0.946 238 Q CB 0.454 29.160 28.738 -0.054 0.000 1.062 238 Q HN 0.239 nan 8.270 nan 0.000 0.503 239 M N 0.951 120.531 119.600 -0.032 0.000 2.384 239 M HA 0.170 4.659 4.480 0.015 0.000 0.258 239 M C 1.059 177.342 176.300 -0.028 0.000 1.130 239 M CA 0.336 55.619 55.300 -0.029 0.000 1.187 239 M CB -0.948 31.639 32.600 -0.022 0.000 1.307 239 M HN 0.098 nan 8.290 nan 0.000 0.468 240 A N 1.578 124.383 122.820 -0.026 0.000 2.580 240 A HA 0.389 4.718 4.320 0.015 0.000 0.244 240 A C 0.178 177.745 177.584 -0.028 0.000 1.045 240 A CA 0.674 52.695 52.037 -0.026 0.000 0.761 240 A CB -0.508 18.479 19.000 -0.022 0.000 0.962 240 A HN 0.566 nan 8.150 nan 0.000 0.512 241 A N 3.195 125.998 122.820 -0.029 0.000 2.741 241 A HA 0.499 4.828 4.320 0.015 0.000 0.298 241 A C 0.684 178.251 177.584 -0.027 0.000 1.153 241 A CA 0.197 52.217 52.037 -0.029 0.000 0.816 241 A CB -0.154 18.827 19.000 -0.032 0.000 1.396 241 A HN 0.822 nan 8.150 nan 0.000 0.407 242 T N 0.437 114.977 114.554 -0.025 0.000 2.822 242 T HA -0.106 4.253 4.350 0.015 0.000 0.270 242 T C 0.966 175.654 174.700 -0.021 0.000 1.064 242 T CA 1.530 63.617 62.100 -0.022 0.000 1.131 242 T CB -0.125 68.732 68.868 -0.019 0.000 0.858 242 T HN 0.658 nan 8.240 nan 0.000 0.483 243 E N 2.715 122.902 120.200 -0.023 0.000 2.603 243 E HA -0.022 4.337 4.350 0.015 0.000 0.242 243 E C -0.265 176.322 176.600 -0.021 0.000 1.083 243 E CA 0.198 56.585 56.400 -0.022 0.000 0.950 243 E CB 0.140 29.824 29.700 -0.026 0.000 0.952 243 E HN 0.445 nan 8.360 nan 0.000 0.498 244 Q N 2.295 122.084 119.800 -0.017 0.000 2.392 244 Q HA 0.035 4.384 4.340 0.015 0.000 0.262 244 Q C -0.618 175.372 176.000 -0.016 0.000 1.003 244 Q CA 0.089 55.882 55.803 -0.017 0.000 0.888 244 Q CB 0.447 29.177 28.738 -0.012 0.000 1.260 244 Q HN 0.422 nan 8.270 nan 0.000 0.435 245 D N 1.133 121.522 120.400 -0.018 0.000 2.434 245 D HA 0.011 4.660 4.640 0.015 0.000 0.252 245 D C -0.681 175.612 176.300 -0.012 0.000 1.185 245 D CA -0.059 53.930 54.000 -0.017 0.000 0.886 245 D CB 0.489 41.277 40.800 -0.020 0.000 1.148 245 D HN 0.245 nan 8.370 nan 0.000 0.483 246 K N 2.295 122.688 120.400 -0.010 0.000 3.045 246 K HA 0.117 4.446 4.320 0.015 0.000 0.214 246 K C 0.097 176.695 176.600 -0.002 0.000 1.213 246 K CA -0.555 55.729 56.287 -0.004 0.000 1.111 246 K CB 0.686 33.184 32.500 -0.003 0.000 1.454 246 K HN 0.559 nan 8.250 nan 0.000 0.498 247 T N 1.844 116.397 114.554 -0.002 0.000 2.939 247 T HA 0.004 4.363 4.350 0.015 0.000 0.312 247 T C -1.039 173.665 174.700 0.007 0.000 1.064 247 T CA -1.031 61.068 62.100 -0.001 0.000 1.136 247 T CB 0.562 69.430 68.868 -0.001 0.000 1.035 247 T HN 0.177 nan 8.240 nan 0.000 0.538 248 P HA -0.124 nan 4.420 nan 0.000 0.216 248 P C 1.653 178.970 177.300 0.029 0.000 1.150 248 P CA 1.407 64.511 63.100 0.007 0.000 0.837 248 P CB -0.175 31.516 31.700 -0.014 0.000 0.786 249 L N -0.774 120.473 121.223 0.040 0.000 1.988 249 L HA -0.066 4.283 4.340 0.015 0.000 0.207 249 L C 2.851 179.750 176.870 0.049 0.000 1.071 249 L CA 1.842 56.724 54.840 0.070 0.000 0.744 249 L CB -2.564 39.542 42.059 0.078 0.000 0.893 249 L HN -0.153 nan 8.230 nan 0.000 0.433 250 Q N 0.782 120.602 119.800 0.033 0.000 2.173 250 Q HA -0.301 4.049 4.340 0.015 0.000 0.208 250 Q C 2.241 178.261 176.000 0.033 0.000 0.989 250 Q CA 2.543 58.362 55.803 0.027 0.000 0.872 250 Q CB -0.509 28.239 28.738 0.016 0.000 0.909 250 Q HN 0.863 nan 8.270 nan 0.000 0.420 251 Q N -1.202 118.619 119.800 0.035 0.000 2.123 251 Q HA -0.081 4.268 4.340 0.015 0.000 0.199 251 Q C 1.613 177.648 176.000 0.059 0.000 0.966 251 Q CA 1.012 56.838 55.803 0.039 0.000 0.845 251 Q CB -0.184 28.573 28.738 0.030 0.000 0.907 251 Q HN 0.043 nan 8.270 nan 0.000 0.439 252 K N 0.891 121.332 120.400 0.068 0.000 2.283 252 K HA 0.024 4.353 4.320 0.015 0.000 0.202 252 K C 1.441 178.113 176.600 0.121 0.000 1.048 252 K CA 0.748 57.093 56.287 0.096 0.000 0.948 252 K CB 0.123 32.680 32.500 0.095 0.000 0.742 252 K HN 0.363 nan 8.250 nan 0.000 0.458 253 L N 0.159 121.432 121.223 0.083 0.000 2.741 253 L HA 0.123 4.473 4.340 0.015 0.000 0.237 253 L C 0.971 177.899 176.870 0.097 0.000 1.178 253 L CA 0.014 54.901 54.840 0.078 0.000 0.973 253 L CB 0.208 42.277 42.059 0.017 0.000 1.255 253 L HN -0.071 nan 8.230 nan 0.000 0.498 254 D N 0.183 120.641 120.400 0.097 0.000 2.473 254 D HA -0.009 4.640 4.640 0.015 0.000 0.242 254 D C 1.164 177.511 176.300 0.078 0.000 1.106 254 D CA 0.497 54.541 54.000 0.074 0.000 0.854 254 D CB 0.880 41.708 40.800 0.045 0.000 1.192 254 D HN 0.406 nan 8.370 nan 0.000 0.503 255 E N -0.573 119.683 120.200 0.093 0.000 2.481 255 E HA 0.101 4.460 4.350 0.015 0.000 0.198 255 E C 1.217 177.867 176.600 0.083 0.000 1.027 255 E CA -0.099 56.341 56.400 0.066 0.000 0.900 255 E CB -0.512 29.216 29.700 0.046 0.000 0.993 255 E HN 0.133 nan 8.360 nan 0.000 0.482 256 F N 1.054 121.014 119.950 0.017 0.000 2.473 256 F HA 0.309 4.843 4.527 0.012 0.000 0.294 256 F C 2.047 177.859 175.800 0.020 0.000 1.103 256 F CA 0.892 58.906 58.000 0.023 0.000 1.442 256 F CB 0.250 39.267 39.000 0.028 0.000 1.097 256 F HN 0.207 nan 8.300 nan 0.000 0.547 257 G N -0.783 108.152 108.800 0.226 0.000 2.744 257 G HA2 -0.180 3.789 3.960 0.015 0.000 0.211 257 G HA3 -0.180 3.789 3.960 0.015 0.000 0.211 257 G C 1.280 176.206 174.900 0.043 0.000 1.143 257 G CA 0.723 45.901 45.100 0.131 0.000 0.788 257 G HN 0.367 nan 8.290 nan 0.000 0.534 258 E N 0.625 120.833 120.200 0.014 0.000 2.251 258 E HA -0.023 4.336 4.350 0.015 0.000 0.194 258 E C 2.542 179.103 176.600 -0.065 0.000 0.964 258 E CA 0.864 57.255 56.400 -0.016 0.000 0.868 258 E CB -0.159 29.538 29.700 -0.004 0.000 0.828 258 E HN 0.599 nan 8.360 nan 0.000 0.481 259 Q N -0.372 119.346 119.800 -0.138 0.000 2.339 259 Q HA 0.028 4.377 4.340 0.015 0.000 0.205 259 Q C 1.929 177.800 176.000 -0.216 0.000 0.925 259 Q CA 0.637 56.319 55.803 -0.201 0.000 0.898 259 Q CB -0.183 28.373 28.738 -0.303 0.000 1.013 259 Q HN 0.287 nan 8.270 nan 0.000 0.504 260 L N 1.023 122.108 121.223 -0.231 0.000 2.240 260 L HA 0.045 4.395 4.340 0.015 0.000 0.211 260 L C 2.358 179.200 176.870 -0.048 0.000 1.106 260 L CA 1.493 56.259 54.840 -0.123 0.000 0.793 260 L CB -0.256 41.787 42.059 -0.027 0.000 0.927 260 L HN 0.303 nan 8.230 nan 0.000 0.446 261 S N -1.076 114.602 115.700 -0.037 0.000 2.428 261 S HA -0.132 4.348 4.470 0.015 0.000 0.230 261 S C 1.946 176.528 174.600 -0.029 0.000 1.014 261 S CA 1.042 59.231 58.200 -0.018 0.000 0.957 261 S CB -0.119 63.078 63.200 -0.006 0.000 0.784 261 S HN 0.360 nan 8.310 nan 0.000 0.499 262 K N 0.598 120.971 120.400 -0.045 0.000 2.314 262 K HA 0.272 4.601 4.320 0.015 0.000 0.198 262 K C 1.685 178.259 176.600 -0.043 0.000 1.045 262 K CA 0.475 56.737 56.287 -0.042 0.000 0.988 262 K CB -0.235 32.236 32.500 -0.049 0.000 0.783 262 K HN 0.229 nan 8.250 nan 0.000 0.484 263 V N 1.053 120.937 119.914 -0.050 0.000 2.548 263 V HA -0.172 3.957 4.120 0.015 0.000 0.249 263 V C 1.949 178.022 176.094 -0.035 0.000 1.055 263 V CA 1.114 63.389 62.300 -0.042 0.000 1.065 263 V CB -0.391 31.410 31.823 -0.037 0.000 0.681 263 V HN 0.184 nan 8.190 nan 0.000 0.462 264 I N 1.370 121.922 120.570 -0.029 0.000 2.094 264 I HA -0.182 3.997 4.170 0.015 0.000 0.234 264 I C 2.778 178.877 176.117 -0.029 0.000 1.063 264 I CA 2.198 63.482 61.300 -0.026 0.000 1.328 264 I CB -1.432 36.556 38.000 -0.020 0.000 1.058 264 I HN 0.481 nan 8.210 nan 0.000 0.400 265 S N 1.181 116.864 115.700 -0.027 0.000 2.402 265 S HA -0.149 4.331 4.470 0.015 0.000 0.233 265 S C 1.857 176.450 174.600 -0.012 0.000 1.030 265 S CA 1.173 59.358 58.200 -0.025 0.000 1.003 265 S CB -0.804 62.382 63.200 -0.024 0.000 0.813 265 S HN 0.443 nan 8.310 nan 0.000 0.477 266 L N 0.047 121.262 121.223 -0.013 0.000 2.607 266 L HA 0.450 4.799 4.340 0.015 0.000 0.228 266 L C 1.723 178.597 176.870 0.006 0.000 1.123 266 L CA 0.258 55.097 54.840 -0.002 0.000 0.890 266 L CB 0.035 42.086 42.059 -0.012 0.000 1.103 266 L HN 0.305 nan 8.230 nan 0.000 0.468 267 I N -1.924 118.643 120.570 -0.005 0.000 4.082 267 I HA -0.042 4.137 4.170 0.015 0.000 0.337 267 I C 1.421 177.579 176.117 0.069 0.000 1.352 267 I CA 0.124 61.417 61.300 -0.010 0.000 1.097 267 I CB 0.505 38.445 38.000 -0.100 0.000 1.048 267 I HN 0.244 nan 8.210 nan 0.000 0.393 268 C N -0.051 119.279 119.300 0.050 0.000 2.594 268 C HA 0.042 4.511 4.460 0.015 0.000 0.265 268 C C 2.462 177.578 174.990 0.211 0.000 1.351 268 C CA 0.606 59.654 59.018 0.051 0.000 1.744 268 C CB -0.554 27.146 27.740 -0.067 0.000 1.890 268 C HN 0.568 nan 8.230 nan 0.000 0.551 269 V N -1.143 118.878 119.914 0.177 0.000 2.992 269 V HA 0.302 4.432 4.120 0.015 0.000 0.250 269 V C 2.181 178.450 176.094 0.291 0.000 1.090 269 V CA 1.657 64.091 62.300 0.224 0.000 1.101 269 V CB -0.951 30.924 31.823 0.087 0.000 0.743 269 V HN 0.248 nan 8.190 nan 0.000 0.468 270 A N 1.041 124.004 122.820 0.238 0.000 2.209 270 A HA 0.122 4.451 4.320 0.015 0.000 0.212 270 A C 2.208 180.061 177.584 0.448 0.000 1.158 270 A CA 1.783 53.985 52.037 0.276 0.000 0.742 270 A CB -0.559 18.524 19.000 0.138 0.000 0.790 270 A HN 1.125 nan 8.150 nan 0.000 0.472 271 V N -5.104 115.083 119.914 0.454 0.000 2.672 271 V HA -0.018 4.111 4.120 0.015 0.000 0.242 271 V C 1.973 178.312 176.094 0.410 0.000 1.059 271 V CA 0.743 63.289 62.300 0.410 0.000 1.081 271 V CB -1.114 30.915 31.823 0.344 0.000 0.752 271 V HN 0.699 nan 8.190 nan 0.000 0.472 272 W N 1.989 123.478 121.300 0.315 0.000 2.389 272 W HA -0.205 4.464 4.660 0.015 0.000 0.267 272 W C 1.874 178.493 176.519 0.167 0.000 1.219 272 W CA 2.605 60.100 57.345 0.249 0.000 1.189 272 W CB 0.045 29.632 29.460 0.212 0.000 1.129 272 W HN 0.589 nan 8.180 nan 0.000 0.581 273 L N -1.277 120.138 121.223 0.321 0.000 2.145 273 L HA 0.014 4.363 4.340 0.015 0.000 0.201 273 L C 2.006 178.946 176.870 0.116 0.000 1.075 273 L CA 1.398 56.368 54.840 0.216 0.000 0.773 273 L CB -1.557 40.640 42.059 0.230 0.000 0.936 273 L HN -0.263 nan 8.230 nan 0.000 0.451 274 I N 0.441 121.077 120.570 0.110 0.000 2.500 274 I HA -0.056 4.123 4.170 0.015 0.000 0.252 274 I C 1.861 177.964 176.117 -0.024 0.000 1.142 274 I CA 0.662 61.981 61.300 0.032 0.000 1.451 274 I CB -1.314 36.686 38.000 -0.001 0.000 1.093 274 I HN 0.488 nan 8.210 nan 0.000 0.430 275 N N 1.230 119.927 118.700 -0.005 0.000 2.370 275 N HA -0.034 4.715 4.740 0.015 0.000 0.265 275 N C 1.304 176.697 175.510 -0.196 0.000 1.338 275 N CA 0.039 53.059 53.050 -0.052 0.000 0.913 275 N CB 0.030 38.557 38.487 0.068 0.000 1.094 275 N HN -0.001 nan 8.380 nan 0.000 0.438 276 I N -0.202 120.158 120.570 -0.350 0.000 3.222 276 I HA -0.261 3.918 4.170 0.015 0.000 0.266 276 I C 1.356 177.073 176.117 -0.667 0.000 0.628 276 I CA 1.187 62.055 61.300 -0.720 0.000 1.504 276 I CB -1.314 36.222 38.000 -0.773 0.000 1.113 276 I HN 0.609 nan 8.210 nan 0.000 0.411 277 G N -0.032 108.473 108.800 -0.491 0.000 2.501 277 G HA2 -0.276 3.693 3.960 0.015 0.000 0.220 277 G HA3 -0.276 3.693 3.960 0.015 0.000 0.220 277 G C 0.995 175.559 174.900 -0.560 0.000 1.114 277 G CA 0.973 45.750 45.100 -0.538 0.000 0.757 277 G HN 0.872 nan 8.290 nan 0.000 0.559 278 H N -0.654 118.241 119.070 -0.292 0.000 2.563 278 H HA 0.129 4.694 4.556 0.015 0.000 0.272 278 H C 1.550 176.840 175.328 -0.064 0.000 1.005 278 H CA 0.424 56.367 56.048 -0.175 0.000 1.171 278 H CB -0.653 29.035 29.762 -0.123 0.000 1.351 278 H HN 0.492 nan 8.280 nan 0.000 0.602 279 F N 0.492 120.342 119.950 -0.167 0.000 2.727 279 F HA 0.322 4.857 4.527 0.014 0.000 0.302 279 F C 0.736 176.520 175.800 -0.026 0.000 1.097 279 F CA -0.142 57.831 58.000 -0.045 0.000 1.330 279 F CB -0.075 38.863 39.000 -0.103 0.000 1.084 279 F HN 0.316 nan 8.300 nan 0.000 0.578 280 N N -0.966 117.475 118.700 -0.432 0.000 2.113 280 N HA -0.012 4.737 4.740 0.015 0.000 0.236 280 N C 0.769 176.156 175.510 -0.204 0.000 1.263 280 N CA 0.606 53.471 53.050 -0.308 0.000 0.831 280 N CB -0.268 37.909 38.487 -0.517 0.000 1.259 280 N HN 0.321 nan 8.380 nan 0.000 0.469 281 D N -0.358 119.909 120.400 -0.222 0.000 2.753 281 D HA 0.148 4.797 4.640 0.015 0.000 0.291 281 D C -1.390 174.843 176.300 -0.111 0.000 1.075 281 D CA 0.277 54.184 54.000 -0.155 0.000 0.946 281 D CB -1.169 39.521 40.800 -0.183 0.000 1.376 281 D HN 0.058 nan 8.370 nan 0.000 0.482 282 P HA 0.064 nan 4.420 nan 0.000 0.290 282 P C 0.657 177.942 177.300 -0.025 0.000 1.584 282 P CA 0.307 63.353 63.100 -0.090 0.000 0.813 282 P CB -0.402 31.253 31.700 -0.075 0.000 1.775 283 V N -3.926 115.983 119.914 -0.008 0.000 4.075 283 V HA -0.364 3.765 4.120 0.015 0.000 0.218 283 V C 0.616 176.779 176.094 0.115 0.000 0.527 283 V CA 1.435 63.756 62.300 0.035 0.000 0.911 283 V CB -3.352 28.475 31.823 0.005 0.000 0.963 283 V HN 0.703 nan 8.190 nan 0.000 1.147 284 H N -0.806 118.275 119.070 0.019 0.000 2.591 284 H HA 0.271 4.837 4.556 0.016 0.000 0.325 284 H C 0.677 176.033 175.328 0.047 0.000 1.096 284 H CA 1.532 57.610 56.048 0.050 0.000 1.108 284 H CB -1.084 28.703 29.762 0.041 0.000 1.590 284 H HN 2.693 nan 8.280 nan 0.000 0.399 285 G N 0.370 109.117 108.800 -0.089 0.000 2.145 285 G HA2 0.520 4.489 3.960 0.015 0.000 0.174 285 G HA3 0.520 4.489 3.960 0.015 0.000 0.174 285 G C -0.153 174.732 174.900 -0.025 0.000 1.726 285 G CA -0.333 44.710 45.100 -0.094 0.000 1.080 285 G HN 1.113 nan 8.290 nan 0.000 0.606 286 G N 0.455 109.251 108.800 -0.007 0.000 2.965 286 G HA2 0.602 4.571 3.960 0.015 0.000 0.301 286 G HA3 0.602 4.571 3.960 0.015 0.000 0.301 286 G C 0.290 175.192 174.900 0.003 0.000 1.878 286 G CA 0.550 45.654 45.100 0.006 0.000 0.828 286 G HN 1.668 nan 8.290 nan 0.000 0.435 287 S N -0.027 115.683 115.700 0.018 0.000 3.272 287 S HA -0.228 4.251 4.470 0.015 0.000 0.355 287 S C 1.055 175.672 174.600 0.028 0.000 0.875 287 S CA 0.974 59.187 58.200 0.021 0.000 1.357 287 S CB -0.882 62.313 63.200 -0.007 0.000 1.069 287 S HN 0.969 nan 8.310 nan 0.000 0.561 288 W N 3.829 125.057 121.300 -0.120 0.000 2.364 288 W HA -0.103 4.567 4.660 0.017 0.000 0.281 288 W C 1.437 177.873 176.519 -0.138 0.000 1.219 288 W CA 1.173 58.431 57.345 -0.145 0.000 1.220 288 W CB -0.045 29.331 29.460 -0.140 0.000 1.127 288 W HN 0.690 nan 8.180 nan 0.000 0.556 289 I N 0.849 121.424 120.570 0.007 0.000 2.614 289 I HA -0.194 3.985 4.170 0.015 0.000 0.258 289 I C 2.371 178.349 176.117 -0.231 0.000 1.189 289 I CA 1.350 62.555 61.300 -0.158 0.000 1.462 289 I CB -1.467 36.493 38.000 -0.067 0.000 1.092 289 I HN 0.133 nan 8.210 nan 0.000 0.442 290 R N 1.194 121.590 120.500 -0.174 0.000 2.293 290 R HA -0.108 4.241 4.340 0.015 0.000 0.219 290 R C 2.133 178.351 176.300 -0.137 0.000 1.091 290 R CA 1.152 57.181 56.100 -0.117 0.000 1.004 290 R CB -0.139 30.105 30.300 -0.093 0.000 0.865 290 R HN 0.378 nan 8.270 nan 0.000 0.469 291 G N -0.215 108.390 108.800 -0.325 0.000 2.395 291 G HA2 -0.165 3.804 3.960 0.015 0.000 0.214 291 G HA3 -0.165 3.804 3.960 0.015 0.000 0.214 291 G C 1.369 176.201 174.900 -0.113 0.000 1.177 291 G CA 0.482 45.396 45.100 -0.310 0.000 0.794 291 G HN 0.383 nan 8.290 nan 0.000 0.532 292 A N 0.367 123.004 122.820 -0.305 0.000 2.119 292 A HA 0.223 4.552 4.320 0.015 0.000 0.217 292 A C 2.165 179.653 177.584 -0.161 0.000 1.153 292 A CA 0.677 52.501 52.037 -0.355 0.000 0.692 292 A CB -0.147 18.469 19.000 -0.640 0.000 0.799 292 A HN 0.301 nan 8.150 nan 0.000 0.458 293 I N -2.137 118.404 120.570 -0.048 0.000 2.716 293 I HA -0.087 4.092 4.170 0.015 0.000 0.259 293 I C 2.126 178.364 176.117 0.201 0.000 1.172 293 I CA 1.147 62.492 61.300 0.074 0.000 1.478 293 I CB -1.020 37.006 38.000 0.043 0.000 1.104 293 I HN 0.519 nan 8.210 nan 0.000 0.439 294 Y N 0.408 120.766 120.300 0.097 0.000 2.262 294 Y HA -0.197 4.365 4.550 0.020 0.000 0.295 294 Y C 2.707 178.744 175.900 0.228 0.000 1.121 294 Y CA 1.190 59.368 58.100 0.130 0.000 1.144 294 Y CB -0.516 37.993 38.460 0.082 0.000 1.043 294 Y HN 0.056 nan 8.280 nan 0.000 0.528 295 Y N -0.754 119.724 120.300 0.297 0.000 2.333 295 Y HA -0.219 4.340 4.550 0.016 0.000 0.290 295 Y C 1.177 177.264 175.900 0.311 0.000 1.144 295 Y CA 1.670 59.961 58.100 0.318 0.000 1.228 295 Y CB -0.392 38.351 38.460 0.472 0.000 0.985 295 Y HN 0.142 nan 8.280 nan 0.000 0.542 296 F N -0.636 119.374 119.950 0.100 0.000 2.714 296 F HA 0.187 4.719 4.527 0.010 0.000 0.294 296 F C 2.157 177.953 175.800 -0.006 0.000 1.120 296 F CA 0.263 58.290 58.000 0.046 0.000 1.398 296 F CB -0.302 38.775 39.000 0.129 0.000 1.120 296 F HN -0.119 nan 8.300 nan 0.000 0.589 297 K N 0.914 121.397 120.400 0.138 0.000 2.116 297 K HA -0.069 4.260 4.320 0.015 0.000 0.203 297 K C 1.540 178.101 176.600 -0.065 0.000 1.052 297 K CA 1.510 57.822 56.287 0.040 0.000 0.952 297 K CB -0.039 32.475 32.500 0.023 0.000 0.729 297 K HN 0.293 nan 8.250 nan 0.000 0.446 298 I N -2.438 118.021 120.570 -0.184 0.000 3.956 298 I HA 0.295 4.475 4.170 0.015 0.000 0.333 298 I C 1.367 177.372 176.117 -0.187 0.000 1.302 298 I CA 0.016 61.193 61.300 -0.204 0.000 1.122 298 I CB 0.406 38.207 38.000 -0.330 0.000 1.013 298 I HN -0.080 nan 8.210 nan 0.000 0.405 299 A N 1.594 124.278 122.820 -0.227 0.000 1.878 299 A HA 0.067 4.396 4.320 0.015 0.000 0.213 299 A C 2.052 179.545 177.584 -0.153 0.000 1.192 299 A CA 1.386 53.254 52.037 -0.281 0.000 0.619 299 A CB -0.975 17.733 19.000 -0.485 0.000 0.837 299 A HN 0.520 nan 8.150 nan 0.000 0.446 300 V N -2.999 116.860 119.914 -0.092 0.000 3.623 300 V HA 0.450 4.579 4.120 0.015 0.000 0.274 300 V C 1.429 177.518 176.094 -0.007 0.000 1.244 300 V CA 1.286 63.572 62.300 -0.024 0.000 1.182 300 V CB -0.571 31.273 31.823 0.035 0.000 0.925 300 V HN 0.493 nan 8.190 nan 0.000 0.462 301 A N -0.268 122.534 122.820 -0.030 0.000 2.167 301 A HA 0.461 4.790 4.320 0.015 0.000 0.208 301 A C 1.829 179.408 177.584 -0.007 0.000 1.198 301 A CA 0.472 52.502 52.037 -0.011 0.000 0.863 301 A CB -0.009 18.979 19.000 -0.021 0.000 0.904 301 A HN 0.515 nan 8.150 nan 0.000 0.484 302 L N -0.751 120.458 121.223 -0.023 0.000 2.209 302 L HA 0.032 4.381 4.340 0.015 0.000 0.207 302 L C 2.944 179.809 176.870 -0.009 0.000 1.094 302 L CA 0.753 55.588 54.840 -0.009 0.000 0.790 302 L CB -0.487 41.562 42.059 -0.016 0.000 0.932 302 L HN 0.381 nan 8.230 nan 0.000 0.447 303 A N 0.609 123.417 122.820 -0.019 0.000 1.859 303 A HA -0.267 4.062 4.320 0.015 0.000 0.218 303 A C 2.354 179.945 177.584 0.011 0.000 1.209 303 A CA 2.613 54.646 52.037 -0.006 0.000 0.639 303 A CB -1.183 17.814 19.000 -0.007 0.000 0.835 303 A HN 0.277 nan 8.150 nan 0.000 0.450 304 V N -1.851 118.073 119.914 0.017 0.000 2.809 304 V HA 0.140 4.269 4.120 0.015 0.000 0.256 304 V C 2.375 178.483 176.094 0.024 0.000 1.080 304 V CA 1.862 64.178 62.300 0.026 0.000 1.102 304 V CB -0.864 30.982 31.823 0.039 0.000 0.705 304 V HN 0.635 nan 8.190 nan 0.000 0.475 305 A N 0.371 123.202 122.820 0.019 0.000 1.930 305 A HA 0.179 4.508 4.320 0.015 0.000 0.217 305 A C 2.436 180.028 177.584 0.014 0.000 1.175 305 A CA 2.055 54.102 52.037 0.017 0.000 0.627 305 A CB -0.833 18.179 19.000 0.020 0.000 0.815 305 A HN 0.946 nan 8.150 nan 0.000 0.443 306 A N -0.152 122.679 122.820 0.018 0.000 1.861 306 A HA 0.275 4.604 4.320 0.015 0.000 0.212 306 A C 0.934 178.540 177.584 0.037 0.000 1.199 306 A CA 0.363 52.417 52.037 0.028 0.000 0.613 306 A CB -0.385 18.632 19.000 0.028 0.000 0.846 306 A HN 0.345 nan 8.150 nan 0.000 0.446 307 I N 1.031 121.621 120.570 0.034 0.000 2.752 307 I HA 0.100 4.279 4.170 0.015 0.000 0.289 307 I C -2.581 173.546 176.117 0.017 0.000 1.197 307 I CA -2.147 59.174 61.300 0.035 0.000 1.432 307 I CB -0.432 37.586 38.000 0.030 0.000 1.359 307 I HN 0.055 nan 8.210 nan 0.000 0.571 308 P HA 0.287 nan 4.420 nan 0.000 0.251 308 P C 0.147 177.436 177.300 -0.017 0.000 1.718 308 P CA -0.335 62.755 63.100 -0.016 0.000 1.119 308 P CB 0.489 32.172 31.700 -0.027 0.000 1.762 309 E N 1.618 121.810 120.200 -0.014 0.000 2.153 309 E HA -0.124 4.235 4.350 0.015 0.000 0.194 309 E C 2.277 178.856 176.600 -0.035 0.000 0.988 309 E CA 1.575 57.966 56.400 -0.014 0.000 0.811 309 E CB -0.744 28.955 29.700 -0.002 0.000 0.746 309 E HN 0.470 nan 8.360 nan 0.000 0.466 310 G N 0.637 109.406 108.800 -0.052 0.000 2.443 310 G HA2 -0.221 3.748 3.960 0.015 0.000 0.219 310 G HA3 -0.221 3.748 3.960 0.015 0.000 0.219 310 G C 1.483 176.330 174.900 -0.089 0.000 1.131 310 G CA 0.479 45.532 45.100 -0.080 0.000 0.775 310 G HN 0.205 nan 8.290 nan 0.000 0.547 311 L N 1.597 122.780 121.223 -0.067 0.000 2.012 311 L HA 0.017 4.366 4.340 0.015 0.000 0.210 311 L C 0.188 177.025 176.870 -0.054 0.000 1.073 311 L CA 1.984 56.788 54.840 -0.060 0.000 0.748 311 L CB -0.947 41.102 42.059 -0.018 0.000 0.891 311 L HN 0.083 nan 8.230 nan 0.000 0.431 312 P HA -0.243 nan 4.420 nan 0.000 0.214 312 P C 1.582 178.849 177.300 -0.053 0.000 1.169 312 P CA 2.397 65.476 63.100 -0.035 0.000 0.908 312 P CB -0.283 31.395 31.700 -0.036 0.000 0.791 313 A N -0.846 121.931 122.820 -0.071 0.000 1.940 313 A HA -0.174 4.155 4.320 0.015 0.000 0.219 313 A C 2.342 179.851 177.584 -0.126 0.000 1.176 313 A CA 2.078 54.063 52.037 -0.085 0.000 0.631 313 A CB -1.753 17.194 19.000 -0.088 0.000 0.814 313 A HN 0.055 nan 8.150 nan 0.000 0.446 314 V N -0.142 119.662 119.914 -0.183 0.000 2.261 314 V HA -0.263 3.867 4.120 0.015 0.000 0.246 314 V C 2.388 178.301 176.094 -0.303 0.000 1.047 314 V CA 2.005 64.112 62.300 -0.321 0.000 1.015 314 V CB -0.714 30.797 31.823 -0.520 0.000 0.642 314 V HN 0.567 nan 8.190 nan 0.000 0.446 315 I N 0.138 120.609 120.570 -0.165 0.000 2.142 315 I HA -0.231 3.948 4.170 0.015 0.000 0.240 315 I C 2.105 178.227 176.117 0.008 0.000 1.078 315 I CA 1.720 63.043 61.300 0.038 0.000 1.343 315 I CB -0.285 37.779 38.000 0.106 0.000 1.046 315 I HN 0.265 nan 8.210 nan 0.000 0.405 316 T N -0.035 114.505 114.554 -0.022 0.000 3.496 316 T HA -0.022 4.337 4.350 0.015 0.000 0.253 316 T C 1.054 175.735 174.700 -0.031 0.000 1.134 316 T CA 0.867 62.958 62.100 -0.015 0.000 0.993 316 T CB -0.284 68.577 68.868 -0.012 0.000 1.018 316 T HN 0.377 nan 8.240 nan 0.000 0.571 317 T N -1.573 112.948 114.554 -0.055 0.000 3.029 317 T HA 0.068 4.427 4.350 0.015 0.000 0.256 317 T C 1.838 176.489 174.700 -0.082 0.000 0.914 317 T CA -0.327 61.729 62.100 -0.074 0.000 0.880 317 T CB -0.195 68.611 68.868 -0.103 0.000 1.246 317 T HN 0.481 nan 8.240 nan 0.000 0.523 318 C N 1.466 120.732 119.300 -0.055 0.000 2.467 318 C HA 0.287 4.756 4.460 0.015 0.000 0.279 318 C C 2.360 177.337 174.990 -0.023 0.000 1.347 318 C CA 0.209 59.215 59.018 -0.020 0.000 1.748 318 C CB -1.378 26.453 27.740 0.152 0.000 1.977 318 C HN 0.503 nan 8.230 nan 0.000 0.501 319 L N 1.107 122.327 121.223 -0.005 0.000 2.023 319 L HA 0.014 4.363 4.340 0.015 0.000 0.205 319 L C 3.059 179.915 176.870 -0.024 0.000 1.073 319 L CA 1.625 56.460 54.840 -0.007 0.000 0.745 319 L CB -1.012 41.051 42.059 0.006 0.000 0.900 319 L HN 0.338 nan 8.230 nan 0.000 0.435 320 A N -0.071 122.734 122.820 -0.024 0.000 2.019 320 A HA -0.164 4.165 4.320 0.015 0.000 0.219 320 A C 2.284 179.843 177.584 -0.042 0.000 1.164 320 A CA 1.315 53.340 52.037 -0.021 0.000 0.644 320 A CB -0.630 18.364 19.000 -0.011 0.000 0.805 320 A HN 0.359 nan 8.150 nan 0.000 0.449 321 L N -1.075 120.103 121.223 -0.075 0.000 2.056 321 L HA -0.125 4.225 4.340 0.015 0.000 0.207 321 L C 2.775 179.583 176.870 -0.102 0.000 1.078 321 L CA 1.255 56.025 54.840 -0.116 0.000 0.749 321 L CB -0.674 41.257 42.059 -0.213 0.000 0.901 321 L HN 0.517 nan 8.230 nan 0.000 0.433 322 G N -1.509 107.240 108.800 -0.085 0.000 2.403 322 G HA2 -0.202 3.767 3.960 0.015 0.000 0.216 322 G HA3 -0.202 3.767 3.960 0.015 0.000 0.216 322 G C 1.538 176.412 174.900 -0.043 0.000 1.154 322 G CA 0.992 46.054 45.100 -0.064 0.000 0.784 322 G HN 0.225 nan 8.290 nan 0.000 0.538 323 T N 0.848 115.382 114.554 -0.034 0.000 2.720 323 T HA -0.167 4.192 4.350 0.015 0.000 0.268 323 T C 2.401 177.089 174.700 -0.020 0.000 1.037 323 T CA 1.713 63.799 62.100 -0.023 0.000 1.144 323 T CB -0.143 68.717 68.868 -0.013 0.000 0.864 323 T HN 0.600 nan 8.240 nan 0.000 0.444 324 R N 0.741 121.229 120.500 -0.021 0.000 2.236 324 R HA 0.159 4.508 4.340 0.015 0.000 0.208 324 R C 2.311 178.601 176.300 -0.016 0.000 1.036 324 R CA 0.961 57.052 56.100 -0.014 0.000 1.001 324 R CB -0.157 30.136 30.300 -0.011 0.000 0.896 324 R HN 0.209 nan 8.270 nan 0.000 0.464 325 R N -0.336 120.148 120.500 -0.028 0.000 2.119 325 R HA 0.073 4.422 4.340 0.015 0.000 0.222 325 R C 1.627 177.915 176.300 -0.020 0.000 1.088 325 R CA 0.891 56.976 56.100 -0.024 0.000 0.984 325 R CB 0.088 30.364 30.300 -0.040 0.000 0.884 325 R HN 0.211 nan 8.270 nan 0.000 0.447 326 M N 0.038 119.623 119.600 -0.024 0.000 2.156 326 M HA 0.056 4.546 4.480 0.015 0.000 0.264 326 M C 2.281 178.569 176.300 -0.020 0.000 1.067 326 M CA 1.314 56.599 55.300 -0.025 0.000 1.131 326 M CB -1.018 31.564 32.600 -0.030 0.000 1.368 326 M HN 0.191 nan 8.290 nan 0.000 0.416 327 A N 0.401 123.212 122.820 -0.016 0.000 2.042 327 A HA -0.228 4.101 4.320 0.015 0.000 0.222 327 A C 2.103 179.683 177.584 -0.006 0.000 1.167 327 A CA 1.871 53.902 52.037 -0.010 0.000 0.649 327 A CB -0.692 18.305 19.000 -0.005 0.000 0.809 327 A HN 0.588 nan 8.150 nan 0.000 0.457 328 K N -0.744 119.653 120.400 -0.005 0.000 2.426 328 K HA 0.062 4.391 4.320 0.015 0.000 0.193 328 K C 0.712 177.311 176.600 -0.002 0.000 1.028 328 K CA 0.441 56.727 56.287 -0.000 0.000 1.047 328 K CB 0.249 32.752 32.500 0.004 0.000 0.821 328 K HN 0.265 nan 8.250 nan 0.000 0.513 329 K N 0.562 120.957 120.400 -0.008 0.000 2.374 329 K HA 0.117 4.446 4.320 0.015 0.000 0.196 329 K C -0.335 176.257 176.600 -0.013 0.000 1.023 329 K CA 0.139 56.419 56.287 -0.011 0.000 1.103 329 K CB 0.086 32.575 32.500 -0.019 0.000 0.848 329 K HN 0.190 nan 8.250 nan 0.000 0.528 330 N N 0.316 119.010 118.700 -0.010 0.000 2.782 330 N HA -0.197 4.552 4.740 0.015 0.000 0.251 330 N C -0.428 175.072 175.510 -0.017 0.000 1.101 330 N CA 0.544 53.588 53.050 -0.010 0.000 0.764 330 N CB -1.115 37.368 38.487 -0.006 0.000 1.122 330 N HN 0.327 nan 8.380 nan 0.000 0.561 331 A N 0.857 123.663 122.820 -0.024 0.000 2.527 331 A HA 0.501 4.830 4.320 0.015 0.000 0.313 331 A C 0.362 177.930 177.584 -0.027 0.000 1.410 331 A CA -0.294 51.724 52.037 -0.032 0.000 1.060 331 A CB -0.063 18.913 19.000 -0.042 0.000 1.137 331 A HN 0.342 nan 8.150 nan 0.000 0.542 332 I N 3.811 124.366 120.570 -0.025 0.000 2.294 332 I HA 0.094 4.273 4.170 0.015 0.000 0.295 332 I C -0.139 175.962 176.117 -0.028 0.000 1.098 332 I CA -0.296 60.991 61.300 -0.023 0.000 1.277 332 I CB 0.721 38.709 38.000 -0.020 0.000 1.434 332 I HN 0.254 nan 8.210 nan 0.000 0.498 333 V N 7.777 127.675 119.914 -0.027 0.000 2.555 333 V HA 0.148 4.277 4.120 0.015 0.000 0.286 333 V C 1.257 177.332 176.094 -0.032 0.000 1.044 333 V CA 0.057 62.339 62.300 -0.030 0.000 1.026 333 V CB 1.028 32.835 31.823 -0.027 0.000 0.981 333 V HN 0.751 nan 8.190 nan 0.000 0.480 334 R N 2.092 122.569 120.500 -0.038 0.000 2.221 334 R HA 0.171 4.520 4.340 0.015 0.000 0.195 334 R C 0.705 176.973 176.300 -0.053 0.000 0.956 334 R CA 0.306 56.377 56.100 -0.048 0.000 1.064 334 R CB 0.448 30.718 30.300 -0.050 0.000 1.049 334 R HN 0.593 nan 8.270 nan 0.000 0.534 335 S N 0.530 116.205 115.700 -0.042 0.000 2.530 335 S HA 0.275 4.755 4.470 0.015 0.000 0.322 335 S C 0.913 175.497 174.600 -0.026 0.000 1.085 335 S CA -0.637 57.540 58.200 -0.038 0.000 1.096 335 S CB 1.095 64.273 63.200 -0.037 0.000 0.988 335 S HN 0.172 nan 8.310 nan 0.000 0.466 336 L N 5.060 126.272 121.223 -0.019 0.000 1.990 336 L HA -0.018 4.331 4.340 0.015 0.000 0.213 336 L C -0.739 176.127 176.870 -0.006 0.000 1.072 336 L CA 1.554 56.389 54.840 -0.008 0.000 0.755 336 L CB -1.097 40.965 42.059 0.004 0.000 0.889 336 L HN 0.518 nan 8.230 nan 0.000 0.432 337 P HA -0.151 nan 4.420 nan 0.000 0.223 337 P C 1.545 178.844 177.300 -0.002 0.000 1.144 337 P CA 1.588 64.689 63.100 0.002 0.000 0.783 337 P CB -0.128 31.572 31.700 0.001 0.000 0.771 338 S N -1.345 114.348 115.700 -0.012 0.000 2.470 338 S HA -0.079 4.400 4.470 0.015 0.000 0.225 338 S C 1.917 176.504 174.600 -0.021 0.000 1.006 338 S CA 0.818 59.007 58.200 -0.019 0.000 0.934 338 S CB -1.741 61.444 63.200 -0.025 0.000 0.778 338 S HN 0.117 nan 8.310 nan 0.000 0.517 339 V N 0.256 120.158 119.914 -0.019 0.000 2.439 339 V HA -0.217 3.913 4.120 0.015 0.000 0.253 339 V C 2.641 178.725 176.094 -0.016 0.000 1.074 339 V CA 2.235 64.522 62.300 -0.021 0.000 1.076 339 V CB -1.053 30.758 31.823 -0.020 0.000 0.664 339 V HN 0.478 nan 8.190 nan 0.000 0.461 340 E N 1.773 121.971 120.200 -0.002 0.000 2.021 340 E HA -0.185 4.174 4.350 0.015 0.000 0.189 340 E C 2.461 179.053 176.600 -0.013 0.000 0.980 340 E CA 2.310 58.718 56.400 0.012 0.000 0.803 340 E CB -0.633 29.094 29.700 0.045 0.000 0.766 340 E HN 0.835 nan 8.360 nan 0.000 0.449 341 T N 0.166 114.710 114.554 -0.017 0.000 2.869 341 T HA -0.201 4.158 4.350 0.015 0.000 0.270 341 T C 2.029 176.701 174.700 -0.048 0.000 1.082 341 T CA 1.294 63.373 62.100 -0.035 0.000 1.123 341 T CB -0.396 68.456 68.868 -0.027 0.000 0.856 341 T HN 0.077 nan 8.240 nan 0.000 0.499 342 L N 1.872 123.069 121.223 -0.045 0.000 2.083 342 L HA 0.220 4.569 4.340 0.015 0.000 0.209 342 L C 2.776 179.610 176.870 -0.059 0.000 1.083 342 L CA 1.835 56.644 54.840 -0.053 0.000 0.752 342 L CB -1.190 40.836 42.059 -0.055 0.000 0.899 342 L HN 0.444 nan 8.230 nan 0.000 0.433 343 G N -1.207 107.557 108.800 -0.060 0.000 2.422 343 G HA2 -0.298 3.671 3.960 0.015 0.000 0.218 343 G HA3 -0.298 3.671 3.960 0.015 0.000 0.218 343 G C 1.511 176.352 174.900 -0.097 0.000 1.146 343 G CA 0.958 46.016 45.100 -0.070 0.000 0.769 343 G HN 0.646 nan 8.290 nan 0.000 0.547 344 C N 0.038 119.264 119.300 -0.124 0.000 2.576 344 C HA 0.333 4.802 4.460 0.015 0.000 0.267 344 C C 1.224 176.161 174.990 -0.089 0.000 1.364 344 C CA -0.860 58.072 59.018 -0.142 0.000 1.723 344 C CB -1.571 26.050 27.740 -0.197 0.000 1.778 344 C HN 0.121 nan 8.230 nan 0.000 0.572 345 T N 2.696 117.209 114.554 -0.068 0.000 2.928 345 T HA 0.243 4.602 4.350 0.015 0.000 0.305 345 T C 1.231 175.907 174.700 -0.040 0.000 1.035 345 T CA 1.035 63.107 62.100 -0.047 0.000 1.145 345 T CB 0.870 69.712 68.868 -0.043 0.000 0.963 345 T HN 0.772 nan 8.240 nan 0.000 0.545 346 S N 0.857 116.541 115.700 -0.027 0.000 2.524 346 S HA 0.280 4.759 4.470 0.015 0.000 0.222 346 S C 0.349 174.942 174.600 -0.011 0.000 1.040 346 S CA -0.453 57.735 58.200 -0.021 0.000 0.915 346 S CB 0.318 63.508 63.200 -0.017 0.000 0.831 346 S HN 0.460 nan 8.310 nan 0.000 0.492 347 V N 1.980 121.891 119.914 -0.004 0.000 2.656 347 V HA 0.577 4.706 4.120 0.015 0.000 0.307 347 V C -0.856 175.241 176.094 0.005 0.000 1.051 347 V CA -0.905 61.399 62.300 0.006 0.000 0.893 347 V CB 1.690 33.525 31.823 0.021 0.000 0.999 347 V HN 0.332 nan 8.190 nan 0.000 0.426 348 I N 2.902 123.479 120.570 0.012 0.000 2.355 348 I HA 0.411 4.590 4.170 0.015 0.000 0.288 348 I C -0.366 175.774 176.117 0.037 0.000 0.999 348 I CA -0.148 61.164 61.300 0.020 0.000 1.163 348 I CB 1.528 39.543 38.000 0.025 0.000 1.316 348 I HN 0.586 nan 8.210 nan 0.000 0.454 349 C N 4.004 123.323 119.300 0.032 0.000 2.401 349 C HA 0.572 5.042 4.460 0.015 0.000 0.365 349 C C 0.635 175.656 174.990 0.052 0.000 1.250 349 C CA -0.220 58.820 59.018 0.037 0.000 2.131 349 C CB 1.005 28.753 27.740 0.014 0.000 2.445 349 C HN 0.773 nan 8.230 nan 0.000 0.550 350 S N 1.204 116.937 115.700 0.056 0.000 2.614 350 S HA 0.322 4.801 4.470 0.015 0.000 0.288 350 S C -0.991 173.631 174.600 0.037 0.000 1.137 350 S CA -0.514 57.727 58.200 0.070 0.000 0.992 350 S CB 0.874 64.136 63.200 0.103 0.000 1.026 350 S HN 0.884 nan 8.310 nan 0.000 0.486 351 D N 3.056 123.476 120.400 0.034 0.000 2.478 351 D HA 0.093 4.742 4.640 0.015 0.000 0.234 351 D C 1.039 177.337 176.300 -0.003 0.000 1.154 351 D CA 0.511 54.520 54.000 0.015 0.000 0.874 351 D CB 0.788 41.598 40.800 0.015 0.000 1.198 351 D HN 0.573 nan 8.370 nan 0.000 0.455 352 K N 1.444 121.833 120.400 -0.017 0.000 2.056 352 K HA 0.016 4.346 4.320 0.015 0.000 0.205 352 K C 0.142 176.714 176.600 -0.047 0.000 1.035 352 K CA 0.414 56.674 56.287 -0.044 0.000 0.955 352 K CB 0.038 32.516 32.500 -0.038 0.000 0.769 352 K HN 0.452 nan 8.250 nan 0.000 0.447 353 T N 0.401 114.937 114.554 -0.030 0.000 2.794 353 T HA 0.304 4.663 4.350 0.015 0.000 0.296 353 T C 0.409 175.096 174.700 -0.022 0.000 0.949 353 T CA 0.512 62.593 62.100 -0.031 0.000 1.101 353 T CB 1.107 69.962 68.868 -0.021 0.000 0.905 353 T HN 0.633 nan 8.240 nan 0.000 0.516 354 G N 3.306 112.088 108.800 -0.030 0.000 2.179 354 G HA2 -0.302 3.667 3.960 0.015 0.000 0.260 354 G HA3 -0.302 3.667 3.960 0.015 0.000 0.260 354 G C 0.844 175.742 174.900 -0.003 0.000 0.977 354 G CA 0.783 45.873 45.100 -0.017 0.000 0.641 354 G HN 0.706 nan 8.290 nan 0.000 0.533 355 T N -0.137 114.410 114.554 -0.011 0.000 3.391 355 T HA 0.301 4.660 4.350 0.015 0.000 0.233 355 T C 2.236 176.892 174.700 -0.074 0.000 0.960 355 T CA 0.741 62.855 62.100 0.023 0.000 1.342 355 T CB -0.121 68.775 68.868 0.047 0.000 1.124 355 T HN 0.122 nan 8.240 nan 0.000 0.396 356 L N 2.051 123.165 121.223 -0.182 0.000 2.395 356 L HA 0.163 4.512 4.340 0.015 0.000 0.218 356 L C 1.069 177.796 176.870 -0.238 0.000 1.130 356 L CA 0.560 55.182 54.840 -0.363 0.000 0.826 356 L CB -0.540 41.331 42.059 -0.314 0.000 0.941 356 L HN 0.445 nan 8.230 nan 0.000 0.451 357 T N -6.184 108.284 114.554 -0.143 0.000 2.901 357 T HA 0.256 4.615 4.350 0.015 0.000 0.293 357 T C 0.889 175.535 174.700 -0.089 0.000 1.084 357 T CA -0.049 61.984 62.100 -0.113 0.000 1.008 357 T CB 1.784 70.596 68.868 -0.094 0.000 1.170 357 T HN 0.078 nan 8.240 nan 0.000 0.509 358 T N -1.197 113.301 114.554 -0.095 0.000 2.985 358 T HA 0.043 4.402 4.350 0.015 0.000 0.266 358 T C 0.994 175.633 174.700 -0.101 0.000 1.076 358 T CA 0.963 63.007 62.100 -0.095 0.000 1.135 358 T CB -0.738 68.056 68.868 -0.124 0.000 0.890 358 T HN 1.049 nan 8.240 nan 0.000 0.480 359 N N 1.695 120.331 118.700 -0.107 0.000 2.771 359 N HA -0.164 4.585 4.740 0.015 0.000 0.249 359 N C -1.208 174.199 175.510 -0.172 0.000 1.069 359 N CA 0.458 53.454 53.050 -0.090 0.000 0.688 359 N CB -1.635 36.829 38.487 -0.039 0.000 0.928 359 N HN 0.791 nan 8.380 nan 0.000 0.551 360 Q N 0.496 120.113 119.800 -0.304 0.000 2.589 360 Q HA 0.214 4.563 4.340 0.015 0.000 0.245 360 Q C -0.384 175.362 176.000 -0.422 0.000 0.931 360 Q CA -0.926 54.451 55.803 -0.711 0.000 0.730 360 Q CB 1.127 29.287 28.738 -0.964 0.000 1.315 360 Q HN 0.369 nan 8.270 nan 0.000 0.469 361 M N 2.187 121.697 119.600 -0.151 0.000 2.394 361 M HA -0.052 4.437 4.480 0.015 0.000 0.394 361 M C -0.695 175.596 176.300 -0.014 0.000 1.611 361 M CA 1.017 56.317 55.300 -0.001 0.000 0.941 361 M CB -0.021 32.654 32.600 0.124 0.000 2.094 361 M HN 0.328 nan 8.290 nan 0.000 0.485 362 S N 3.978 119.647 115.700 -0.052 0.000 2.498 362 S HA 0.531 5.010 4.470 0.015 0.000 0.317 362 S C -0.853 173.721 174.600 -0.043 0.000 1.090 362 S CA -0.871 57.298 58.200 -0.052 0.000 1.089 362 S CB 1.258 64.405 63.200 -0.089 0.000 0.997 362 S HN 0.494 nan 8.310 nan 0.000 0.470 363 V N 4.333 124.228 119.914 -0.033 0.000 2.397 363 V HA 0.031 4.160 4.120 0.015 0.000 0.262 363 V C 1.163 177.213 176.094 -0.074 0.000 1.047 363 V CA -0.176 62.096 62.300 -0.048 0.000 1.003 363 V CB -0.220 31.579 31.823 -0.040 0.000 1.037 363 V HN 1.195 nan 8.190 nan 0.000 0.480 364 C N 2.849 122.085 119.300 -0.107 0.000 2.780 364 C HA 0.450 4.919 4.460 0.015 0.000 0.267 364 C C 0.766 175.642 174.990 -0.189 0.000 1.266 364 C CA -0.728 58.210 59.018 -0.134 0.000 1.709 364 C CB -1.146 26.505 27.740 -0.147 0.000 1.975 364 C HN 0.731 nan 8.230 nan 0.000 0.582 365 K N 1.297 121.550 120.400 -0.245 0.000 2.502 365 K HA 0.716 5.046 4.320 0.015 0.000 0.257 365 K C -0.958 175.592 176.600 -0.084 0.000 0.938 365 K CA -0.312 55.757 56.287 -0.362 0.000 0.819 365 K CB 2.147 33.987 32.500 -1.100 0.000 1.333 365 K HN 0.459 nan 8.250 nan 0.000 0.434 366 M N 1.540 121.264 119.600 0.207 0.000 2.414 366 M HA 0.524 5.013 4.480 0.015 0.000 0.287 366 M C -1.794 174.872 176.300 0.609 0.000 1.181 366 M CA -0.863 54.664 55.300 0.379 0.000 0.933 366 M CB 1.511 34.179 32.600 0.114 0.000 1.732 366 M HN 0.566 nan 8.290 nan 0.000 0.486 367 F N 2.981 123.190 119.950 0.432 0.000 2.579 367 F HA 0.956 5.492 4.527 0.015 0.000 0.324 367 F C -0.962 174.952 175.800 0.191 0.000 1.058 367 F CA -1.048 57.116 58.000 0.274 0.000 0.944 367 F CB 1.410 40.460 39.000 0.083 0.000 1.245 367 F HN 0.770 nan 8.300 nan 0.000 0.477 368 I N 0.020 120.925 120.570 0.558 0.000 3.294 368 I HA 0.552 4.731 4.170 0.015 0.000 0.311 368 I C -0.825 175.558 176.117 0.444 0.000 1.111 368 I CA -1.392 60.171 61.300 0.438 0.000 0.976 368 I CB 1.955 40.116 38.000 0.269 0.000 1.260 368 I HN 0.451 nan 8.210 nan 0.000 0.474 369 I N 2.318 123.113 120.570 0.374 0.000 2.588 369 I HA 0.090 4.269 4.170 0.015 0.000 0.283 369 I C 0.520 176.743 176.117 0.177 0.000 1.119 369 I CA 0.547 61.986 61.300 0.231 0.000 1.419 369 I CB 0.411 38.542 38.000 0.219 0.000 1.394 369 I HN 0.786 nan 8.210 nan 0.000 0.562 370 D N 4.817 125.277 120.400 0.100 0.000 2.943 370 D HA 0.078 4.727 4.640 0.015 0.000 0.282 370 D C 0.044 176.400 176.300 0.093 0.000 1.148 370 D CA 1.233 55.300 54.000 0.112 0.000 1.006 370 D CB 0.793 41.638 40.800 0.076 0.000 1.168 370 D HN 0.310 nan 8.370 nan 0.000 0.450 371 K N 0.016 120.444 120.400 0.047 0.000 2.498 371 K HA 0.540 4.869 4.320 0.015 0.000 0.254 371 K C -1.358 175.254 176.600 0.020 0.000 0.933 371 K CA -0.841 55.493 56.287 0.078 0.000 0.806 371 K CB 3.010 35.615 32.500 0.174 0.000 1.301 371 K HN -0.066 nan 8.250 nan 0.000 0.432 372 V N 2.507 122.461 119.914 0.066 0.000 2.569 372 V HA 0.396 4.525 4.120 0.015 0.000 0.301 372 V C -1.214 174.942 176.094 0.103 0.000 1.044 372 V CA -0.917 61.411 62.300 0.047 0.000 0.874 372 V CB 1.987 33.825 31.823 0.024 0.000 1.002 372 V HN 0.912 nan 8.190 nan 0.000 0.424 373 D N 3.331 123.821 120.400 0.150 0.000 2.931 373 D HA 0.552 5.201 4.640 0.015 0.000 0.215 373 D C 0.397 176.769 176.300 0.120 0.000 1.297 373 D CA 0.473 54.544 54.000 0.118 0.000 0.892 373 D CB 1.686 42.547 40.800 0.102 0.000 1.642 373 D HN 1.083 nan 8.370 nan 0.000 0.560 374 G N 3.525 112.368 108.800 0.072 0.000 2.565 374 G HA2 -0.334 3.635 3.960 0.015 0.000 0.295 374 G HA3 -0.334 3.635 3.960 0.015 0.000 0.295 374 G C 0.364 175.300 174.900 0.061 0.000 1.165 374 G CA 0.623 45.757 45.100 0.058 0.000 0.977 374 G HN 0.579 nan 8.290 nan 0.000 0.546 375 D N 0.429 120.877 120.400 0.080 0.000 2.339 375 D HA 0.334 4.983 4.640 0.015 0.000 0.217 375 D C 0.198 176.566 176.300 0.113 0.000 1.050 375 D CA 0.202 54.242 54.000 0.067 0.000 0.856 375 D CB 0.146 40.978 40.800 0.055 0.000 0.922 375 D HN 0.195 nan 8.370 nan 0.000 0.518 376 F N 1.102 121.035 119.950 -0.029 0.000 2.444 376 F HA 0.384 4.920 4.527 0.015 0.000 0.342 376 F C -0.983 174.796 175.800 -0.036 0.000 1.121 376 F CA -1.288 56.692 58.000 -0.033 0.000 0.997 376 F CB 1.119 40.104 39.000 -0.025 0.000 1.130 376 F HN -0.232 nan 8.300 nan 0.000 0.454 377 C N 6.464 125.303 119.300 -0.768 0.000 2.346 377 C HA 0.725 5.195 4.460 0.015 0.000 0.326 377 C C -0.551 173.887 174.990 -0.920 0.000 1.224 377 C CA -0.358 58.245 59.018 -0.692 0.000 1.408 377 C CB -0.452 27.073 27.740 -0.358 0.000 2.089 377 C HN 0.931 nan 8.230 nan 0.000 0.456 378 S N 6.214 121.426 115.700 -0.814 0.000 2.525 378 S HA 0.810 5.289 4.470 0.015 0.000 0.290 378 S C -0.783 173.675 174.600 -0.238 0.000 1.152 378 S CA -0.645 57.285 58.200 -0.450 0.000 1.072 378 S CB 0.965 64.046 63.200 -0.199 0.000 1.027 378 S HN 0.712 nan 8.310 nan 0.000 0.500 379 L N 2.290 123.380 121.223 -0.222 0.000 2.334 379 L HA 0.479 4.828 4.340 0.015 0.000 0.275 379 L C 0.156 176.987 176.870 -0.065 0.000 1.036 379 L CA -0.993 53.759 54.840 -0.148 0.000 0.807 379 L CB 0.693 42.530 42.059 -0.369 0.000 1.231 379 L HN 0.611 nan 8.230 nan 0.000 0.438 380 N N 2.449 121.171 118.700 0.037 0.000 2.411 380 N HA 0.172 4.921 4.740 0.015 0.000 0.259 380 N C -0.772 174.683 175.510 -0.092 0.000 1.103 380 N CA -0.100 52.912 53.050 -0.063 0.000 0.954 380 N CB 0.821 39.351 38.487 0.072 0.000 1.085 380 N HN 0.588 nan 8.380 nan 0.000 0.485 381 E N 1.881 121.926 120.200 -0.258 0.000 2.191 381 E HA 0.459 4.818 4.350 0.015 0.000 0.274 381 E C -0.646 175.684 176.600 -0.449 0.000 0.948 381 E CA -0.479 55.889 56.400 -0.053 0.000 0.802 381 E CB 1.438 31.263 29.700 0.208 0.000 1.137 381 E HN 0.328 nan 8.360 nan 0.000 0.397 382 F N 0.478 120.503 119.950 0.125 0.000 2.639 382 F HA 0.536 5.072 4.527 0.015 0.000 0.339 382 F C 0.271 176.056 175.800 -0.025 0.000 1.071 382 F CA -0.723 57.277 58.000 -0.001 0.000 0.994 382 F CB 1.981 40.935 39.000 -0.077 0.000 1.341 382 F HN 0.423 nan 8.300 nan 0.000 0.498 383 S N 1.275 117.061 115.700 0.144 0.000 2.546 383 S HA 0.833 5.313 4.470 0.015 0.000 0.274 383 S C -1.600 173.008 174.600 0.013 0.000 1.121 383 S CA -0.825 57.382 58.200 0.010 0.000 0.887 383 S CB 1.831 65.004 63.200 -0.045 0.000 1.094 383 S HN 0.469 nan 8.310 nan 0.000 0.474 384 I N 2.009 122.558 120.570 -0.034 0.000 2.466 384 I HA 0.444 4.623 4.170 0.015 0.000 0.289 384 I C 0.464 176.551 176.117 -0.049 0.000 1.026 384 I CA -0.536 60.741 61.300 -0.039 0.000 1.078 384 I CB 1.274 39.241 38.000 -0.054 0.000 1.249 384 I HN 0.922 nan 8.210 nan 0.000 0.429 385 T N 1.252 115.783 114.554 -0.039 0.000 2.874 385 T HA 0.770 5.129 4.350 0.015 0.000 0.281 385 T C 0.361 175.035 174.700 -0.043 0.000 0.994 385 T CA -0.076 62.000 62.100 -0.040 0.000 1.015 385 T CB 1.711 70.562 68.868 -0.028 0.000 1.028 385 T HN 1.499 nan 8.240 nan 0.000 0.523 386 G N 0.351 109.125 108.800 -0.044 0.000 3.226 386 G HA2 0.235 4.204 3.960 0.015 0.000 0.685 386 G HA3 0.235 4.204 3.960 0.015 0.000 0.685 386 G C 0.022 174.884 174.900 -0.064 0.000 1.207 386 G CA -0.148 44.924 45.100 -0.047 0.000 0.877 386 G HN 1.755 nan 8.290 nan 0.000 0.585 387 S N -0.180 115.478 115.700 -0.069 0.000 2.651 387 S HA 0.676 5.155 4.470 0.015 0.000 0.246 387 S C 0.424 174.944 174.600 -0.134 0.000 1.039 387 S CA 0.688 58.831 58.200 -0.096 0.000 1.013 387 S CB 1.155 64.305 63.200 -0.084 0.000 0.861 387 S HN 1.817 nan 8.310 nan 0.000 0.485 388 T N -0.434 114.041 114.554 -0.131 0.000 2.868 388 T HA 0.506 4.865 4.350 0.015 0.000 0.306 388 T C -0.463 174.160 174.700 -0.129 0.000 1.224 388 T CA -0.440 61.571 62.100 -0.148 0.000 1.012 388 T CB 0.734 69.578 68.868 -0.039 0.000 1.221 388 T HN 0.054 nan 8.240 nan 0.000 0.499 389 Y N 1.619 121.921 120.300 0.005 0.000 2.574 389 Y HA 0.341 4.900 4.550 0.015 0.000 0.294 389 Y C 1.852 177.706 175.900 -0.077 0.000 1.142 389 Y CA 0.307 58.398 58.100 -0.015 0.000 1.314 389 Y CB -0.873 37.600 38.460 0.023 0.000 0.991 389 Y HN 0.729 nan 8.280 nan 0.000 0.555 390 A N 2.405 125.270 122.820 0.075 0.000 2.531 390 A HA 0.091 4.421 4.320 0.015 0.000 0.236 390 A C -1.637 175.826 177.584 -0.202 0.000 1.062 390 A CA -0.957 50.986 52.037 -0.158 0.000 0.760 390 A CB -0.265 18.787 19.000 0.088 0.000 0.995 390 A HN 0.096 nan 8.150 nan 0.000 0.501 391 P HA 0.076 nan 4.420 nan 0.000 0.249 391 P C -0.725 176.503 177.300 -0.120 0.000 1.686 391 P CA 0.569 63.540 63.100 -0.215 0.000 0.873 391 P CB -0.512 31.031 31.700 -0.262 0.000 1.828 392 E N 0.320 120.475 120.200 -0.075 0.000 2.199 392 E HA 0.696 5.055 4.350 0.015 0.000 0.265 392 E C 0.216 176.798 176.600 -0.030 0.000 0.882 392 E CA -0.873 55.509 56.400 -0.030 0.000 0.759 392 E CB 2.068 31.774 29.700 0.010 0.000 1.148 392 E HN 0.191 nan 8.360 nan 0.000 0.412 393 G N 2.218 111.002 108.800 -0.027 0.000 2.345 393 G HA2 0.195 4.164 3.960 0.015 0.000 0.310 393 G HA3 0.195 4.164 3.960 0.015 0.000 0.310 393 G C -1.685 173.198 174.900 -0.029 0.000 1.476 393 G CA -0.995 44.088 45.100 -0.029 0.000 0.978 393 G HN 0.548 nan 8.290 nan 0.000 0.656 394 E N -1.117 119.068 120.200 -0.025 0.000 2.343 394 E HA 0.674 5.033 4.350 0.015 0.000 0.270 394 E C -0.920 175.668 176.600 -0.020 0.000 0.895 394 E CA -1.180 55.207 56.400 -0.021 0.000 0.767 394 E CB 2.683 32.378 29.700 -0.008 0.000 1.248 394 E HN 0.432 nan 8.360 nan 0.000 0.440 395 V N 3.129 123.028 119.914 -0.025 0.000 2.408 395 V HA 0.201 4.330 4.120 0.015 0.000 0.267 395 V C -0.141 175.985 176.094 0.053 0.000 1.047 395 V CA -0.312 61.978 62.300 -0.018 0.000 0.937 395 V CB 0.070 31.828 31.823 -0.108 0.000 0.999 395 V HN 0.513 nan 8.190 nan 0.000 0.472 396 L N 5.319 126.600 121.223 0.097 0.000 2.329 396 L HA 0.638 4.987 4.340 0.015 0.000 0.279 396 L C -0.135 176.838 176.870 0.172 0.000 1.014 396 L CA -0.659 54.247 54.840 0.109 0.000 0.814 396 L CB 1.868 43.957 42.059 0.049 0.000 1.257 396 L HN 0.555 nan 8.230 nan 0.000 0.424 397 K N 3.571 124.052 120.400 0.136 0.000 2.323 397 K HA 0.275 4.605 4.320 0.015 0.000 0.259 397 K C -0.237 176.350 176.600 -0.020 0.000 0.947 397 K CA -0.488 55.779 56.287 -0.033 0.000 0.819 397 K CB 0.895 33.326 32.500 -0.115 0.000 1.109 397 K HN 0.637 nan 8.250 nan 0.000 0.429 398 N N 4.052 122.720 118.700 -0.054 0.000 2.727 398 N HA -0.207 4.543 4.740 0.015 0.000 0.249 398 N C -0.848 174.661 175.510 -0.002 0.000 1.048 398 N CA 1.480 54.516 53.050 -0.023 0.000 0.714 398 N CB -0.796 37.682 38.487 -0.015 0.000 0.959 398 N HN 0.944 nan 8.380 nan 0.000 0.544 399 D N -2.283 118.118 120.400 0.001 0.000 2.758 399 D HA -0.211 4.438 4.640 0.015 0.000 0.191 399 D C 0.330 176.640 176.300 0.016 0.000 1.036 399 D CA 1.638 55.641 54.000 0.005 0.000 1.030 399 D CB -0.578 40.222 40.800 -0.001 0.000 1.109 399 D HN 0.614 nan 8.370 nan 0.000 0.430 400 K N 1.217 121.633 120.400 0.026 0.000 2.227 400 K HA 0.341 4.671 4.320 0.015 0.000 0.280 400 K C -2.657 173.978 176.600 0.058 0.000 1.041 400 K CA -1.677 54.633 56.287 0.038 0.000 0.905 400 K CB 1.231 33.754 32.500 0.040 0.000 1.068 400 K HN -0.235 nan 8.250 nan 0.000 0.470 401 P HA -0.126 nan 4.420 nan 0.000 0.263 401 P C -0.629 176.725 177.300 0.088 0.000 1.175 401 P CA 0.351 63.486 63.100 0.060 0.000 0.761 401 P CB 0.318 32.042 31.700 0.041 0.000 0.794 402 I N 1.026 121.662 120.570 0.110 0.000 3.174 402 I HA 0.524 4.703 4.170 0.015 0.000 0.313 402 I C -0.937 175.245 176.117 0.109 0.000 1.155 402 I CA -1.651 59.743 61.300 0.157 0.000 0.977 402 I CB 2.323 40.504 38.000 0.302 0.000 1.248 402 I HN 0.176 nan 8.210 nan 0.000 0.453 403 R N 1.961 122.539 120.500 0.130 0.000 2.221 403 R HA 0.369 4.718 4.340 0.015 0.000 0.327 403 R C 0.959 177.321 176.300 0.104 0.000 1.033 403 R CA -0.348 55.798 56.100 0.076 0.000 0.887 403 R CB 1.373 31.705 30.300 0.053 0.000 1.057 403 R HN 0.731 nan 8.270 nan 0.000 0.455 404 S N 1.926 117.615 115.700 -0.018 0.000 2.402 404 S HA -0.108 4.371 4.470 0.015 0.000 0.229 404 S C 1.899 176.497 174.600 -0.003 0.000 1.021 404 S CA 1.347 59.493 58.200 -0.089 0.000 0.974 404 S CB 0.030 63.094 63.200 -0.226 0.000 0.800 404 S HN 0.922 nan 8.310 nan 0.000 0.484 405 G N 0.984 109.754 108.800 -0.051 0.000 2.498 405 G HA2 -0.185 3.785 3.960 0.015 0.000 0.219 405 G HA3 -0.185 3.785 3.960 0.015 0.000 0.219 405 G C 1.124 176.010 174.900 -0.024 0.000 1.119 405 G CA 0.230 45.280 45.100 -0.084 0.000 0.766 405 G HN 0.498 nan 8.290 nan 0.000 0.552 406 Q N -0.884 118.931 119.800 0.025 0.000 2.515 406 Q HA 0.109 4.458 4.340 0.015 0.000 0.212 406 Q C -0.538 175.263 176.000 -0.333 0.000 0.970 406 Q CA 0.210 55.937 55.803 -0.127 0.000 0.941 406 Q CB 0.073 28.707 28.738 -0.173 0.000 0.998 406 Q HN 0.515 nan 8.270 nan 0.000 0.518 407 F N -0.089 119.835 119.950 -0.043 0.000 2.496 407 F HA 0.198 4.735 4.527 0.015 0.000 0.341 407 F C 0.519 176.287 175.800 -0.054 0.000 1.134 407 F CA -0.946 57.042 58.000 -0.019 0.000 0.968 407 F CB 1.452 40.441 39.000 -0.018 0.000 1.205 407 F HN -0.124 nan 8.300 nan 0.000 0.436 408 D N 2.372 122.829 120.400 0.095 0.000 2.218 408 D HA -0.127 4.522 4.640 0.015 0.000 0.204 408 D C 2.171 178.507 176.300 0.059 0.000 0.976 408 D CA 1.266 55.296 54.000 0.051 0.000 0.853 408 D CB 0.017 40.843 40.800 0.043 0.000 0.939 408 D HN 0.815 nan 8.370 nan 0.000 0.481 409 G N 1.447 110.323 108.800 0.126 0.000 2.459 409 G HA2 -0.214 3.755 3.960 0.015 0.000 0.217 409 G HA3 -0.214 3.755 3.960 0.015 0.000 0.217 409 G C 1.811 176.709 174.900 -0.002 0.000 1.183 409 G CA 0.292 45.448 45.100 0.093 0.000 0.776 409 G HN 0.244 nan 8.290 nan 0.000 0.552 410 L N 0.494 121.696 121.223 -0.035 0.000 2.131 410 L HA -0.091 4.259 4.340 0.015 0.000 0.210 410 L C 2.967 179.730 176.870 -0.179 0.000 1.092 410 L CA 0.343 55.083 54.840 -0.168 0.000 0.759 410 L CB -0.559 41.324 42.059 -0.293 0.000 0.903 410 L HN 0.092 nan 8.230 nan 0.000 0.435 411 V N -0.104 119.719 119.914 -0.151 0.000 2.392 411 V HA -0.295 3.834 4.120 0.015 0.000 0.249 411 V C 2.412 178.400 176.094 -0.176 0.000 1.059 411 V CA 2.079 64.240 62.300 -0.231 0.000 1.051 411 V CB -0.494 31.203 31.823 -0.210 0.000 0.658 411 V HN 0.500 nan 8.190 nan 0.000 0.455 412 E N -0.366 119.764 120.200 -0.117 0.000 2.122 412 E HA -0.147 4.213 4.350 0.015 0.000 0.190 412 E C 2.110 178.604 176.600 -0.177 0.000 0.977 412 E CA 0.510 56.840 56.400 -0.117 0.000 0.820 412 E CB -0.039 29.632 29.700 -0.048 0.000 0.770 412 E HN 0.380 nan 8.360 nan 0.000 0.462 413 L N 1.369 122.494 121.223 -0.164 0.000 1.956 413 L HA -0.224 4.125 4.340 0.015 0.000 0.216 413 L C 2.310 179.062 176.870 -0.198 0.000 1.073 413 L CA 2.501 57.232 54.840 -0.182 0.000 0.762 413 L CB -1.191 40.762 42.059 -0.176 0.000 0.889 413 L HN 0.207 nan 8.230 nan 0.000 0.433 414 A N -1.776 120.923 122.820 -0.201 0.000 1.884 414 A HA -0.307 4.022 4.320 0.015 0.000 0.219 414 A C 2.251 179.715 177.584 -0.200 0.000 1.197 414 A CA 2.936 54.857 52.037 -0.194 0.000 0.637 414 A CB -1.441 17.429 19.000 -0.218 0.000 0.827 414 A HN 0.570 nan 8.150 nan 0.000 0.450 415 T N 0.574 114.989 114.554 -0.231 0.000 2.597 415 T HA -0.219 4.140 4.350 0.015 0.000 0.267 415 T C 1.786 176.189 174.700 -0.495 0.000 1.053 415 T CA 1.842 63.748 62.100 -0.323 0.000 1.165 415 T CB -0.617 68.023 68.868 -0.379 0.000 0.863 415 T HN 0.446 nan 8.240 nan 0.000 0.427 416 I N 0.620 120.855 120.570 -0.558 0.000 2.236 416 I HA -0.245 3.934 4.170 0.015 0.000 0.249 416 I C 2.666 178.643 176.117 -0.232 0.000 1.102 416 I CA 0.931 61.966 61.300 -0.442 0.000 1.365 416 I CB -0.568 37.294 38.000 -0.229 0.000 1.051 416 I HN 0.371 nan 8.210 nan 0.000 0.420 417 C N 0.450 119.632 119.300 -0.197 0.000 2.450 417 C HA 0.000 4.469 4.460 0.015 0.000 0.279 417 C C 3.067 177.990 174.990 -0.111 0.000 1.335 417 C CA 0.927 59.867 59.018 -0.130 0.000 1.749 417 C CB -1.001 26.665 27.740 -0.124 0.000 1.963 417 C HN 0.605 nan 8.230 nan 0.000 0.501 418 A N -0.450 122.291 122.820 -0.132 0.000 1.984 418 A HA 0.165 4.494 4.320 0.015 0.000 0.214 418 A C 1.998 179.534 177.584 -0.081 0.000 1.173 418 A CA 0.981 52.962 52.037 -0.094 0.000 0.673 418 A CB -0.243 18.705 19.000 -0.088 0.000 0.830 418 A HN 0.559 nan 8.150 nan 0.000 0.453 419 L N -1.715 119.440 121.223 -0.114 0.000 2.316 419 L HA 0.086 4.435 4.340 0.015 0.000 0.207 419 L C 1.165 178.027 176.870 -0.014 0.000 1.070 419 L CA 0.117 54.921 54.840 -0.059 0.000 0.820 419 L CB -0.088 41.932 42.059 -0.066 0.000 0.992 419 L HN 0.355 nan 8.230 nan 0.000 0.466 420 C N 2.324 121.610 119.300 -0.023 0.000 2.756 420 C HA 0.311 4.780 4.460 0.015 0.000 0.504 420 C C 0.243 175.231 174.990 -0.004 0.000 1.028 420 C CA -0.064 58.962 59.018 0.014 0.000 1.167 420 C CB -2.362 25.402 27.740 0.039 0.000 1.444 420 C HN 0.442 nan 8.230 nan 0.000 0.577 421 N N 1.730 120.428 118.700 -0.005 0.000 2.999 421 N HA 0.113 4.863 4.740 0.015 0.000 0.244 421 N C -0.513 174.990 175.510 -0.011 0.000 1.106 421 N CA -0.243 52.797 53.050 -0.017 0.000 1.018 421 N CB 0.809 39.275 38.487 -0.035 0.000 1.600 421 N HN 0.357 nan 8.380 nan 0.000 0.621 422 D N 0.579 120.973 120.400 -0.009 0.000 2.349 422 D HA 0.026 4.675 4.640 0.015 0.000 0.214 422 D C 0.848 177.138 176.300 -0.017 0.000 1.063 422 D CA 0.502 54.499 54.000 -0.004 0.000 0.847 422 D CB 0.494 41.298 40.800 0.007 0.000 0.933 422 D HN 0.554 nan 8.370 nan 0.000 0.513 423 S N -0.484 115.195 115.700 -0.034 0.000 2.671 423 S HA 0.568 5.048 4.470 0.015 0.000 0.272 423 S C 0.178 174.746 174.600 -0.053 0.000 1.174 423 S CA -0.507 57.660 58.200 -0.054 0.000 1.004 423 S CB 2.300 65.450 63.200 -0.082 0.000 1.077 423 S HN -0.033 nan 8.310 nan 0.000 0.553 424 S N -0.782 114.875 115.700 -0.071 0.000 2.604 424 S HA 0.417 4.896 4.470 0.015 0.000 0.296 424 S C -2.036 172.528 174.600 -0.061 0.000 1.097 424 S CA -0.746 57.425 58.200 -0.049 0.000 0.883 424 S CB 0.634 63.819 63.200 -0.024 0.000 1.081 424 S HN 0.764 nan 8.310 nan 0.000 0.448 425 L N 3.679 124.882 121.223 -0.032 0.000 2.307 425 L HA 0.766 5.115 4.340 0.015 0.000 0.282 425 L C -0.441 176.481 176.870 0.086 0.000 1.051 425 L CA 0.205 55.044 54.840 -0.002 0.000 0.804 425 L CB 1.462 43.522 42.059 0.003 0.000 1.197 425 L HN 0.846 nan 8.230 nan 0.000 0.431 426 D N 2.724 123.198 120.400 0.123 0.000 2.649 426 D HA 0.246 4.895 4.640 0.015 0.000 0.249 426 D C -1.428 174.997 176.300 0.208 0.000 1.112 426 D CA -0.360 53.725 54.000 0.143 0.000 0.850 426 D CB 0.960 41.794 40.800 0.056 0.000 1.399 426 D HN 0.268 nan 8.370 nan 0.000 0.503 427 F N 4.472 124.457 119.950 0.058 0.000 2.375 427 F HA 0.311 4.848 4.527 0.016 0.000 0.362 427 F C 0.249 175.987 175.800 -0.103 0.000 1.129 427 F CA -0.811 57.112 58.000 -0.129 0.000 1.154 427 F CB 0.411 39.235 39.000 -0.294 0.000 1.205 427 F HN 0.333 nan 8.300 nan 0.000 0.513 428 N N 5.336 123.732 118.700 -0.506 0.000 2.406 428 N HA -0.052 4.697 4.740 0.015 0.000 0.265 428 N C 0.869 176.066 175.510 -0.522 0.000 1.203 428 N CA 0.514 53.339 53.050 -0.375 0.000 0.945 428 N CB 0.517 38.832 38.487 -0.286 0.000 1.165 428 N HN 0.816 nan 8.380 nan 0.000 0.485 429 E N 1.728 121.825 120.200 -0.171 0.000 2.152 429 E HA -0.101 4.258 4.350 0.015 0.000 0.192 429 E C 1.004 177.572 176.600 -0.053 0.000 0.983 429 E CA 1.064 57.465 56.400 0.001 0.000 0.818 429 E CB 0.334 30.115 29.700 0.134 0.000 0.758 429 E HN 0.617 nan 8.360 nan 0.000 0.467 430 T N 0.967 115.474 114.554 -0.079 0.000 2.643 430 T HA -0.145 4.214 4.350 0.015 0.000 0.264 430 T C 1.634 176.280 174.700 -0.089 0.000 1.045 430 T CA 1.272 63.333 62.100 -0.065 0.000 1.155 430 T CB -0.069 68.765 68.868 -0.057 0.000 0.863 430 T HN 0.086 nan 8.240 nan 0.000 0.420 431 K N 0.268 120.584 120.400 -0.140 0.000 2.288 431 K HA 0.145 4.474 4.320 0.015 0.000 0.201 431 K C 1.413 177.904 176.600 -0.181 0.000 1.048 431 K CA 0.578 56.781 56.287 -0.140 0.000 0.956 431 K CB -0.026 32.387 32.500 -0.145 0.000 0.746 431 K HN 0.451 nan 8.250 nan 0.000 0.461 432 G N 1.456 110.081 108.800 -0.293 0.000 2.182 432 G HA2 -0.223 3.746 3.960 0.015 0.000 0.248 432 G HA3 -0.223 3.746 3.960 0.015 0.000 0.248 432 G C -0.374 174.255 174.900 -0.452 0.000 1.042 432 G CA 0.232 45.168 45.100 -0.274 0.000 0.775 432 G HN 0.217 nan 8.290 nan 0.000 0.501 433 V N -0.648 118.763 119.914 -0.838 0.000 3.048 433 V HA 0.660 4.789 4.120 0.015 0.000 0.303 433 V C -0.635 175.093 176.094 -0.610 0.000 1.214 433 V CA -1.617 60.369 62.300 -0.523 0.000 0.984 433 V CB 1.555 33.275 31.823 -0.172 0.000 1.054 433 V HN 0.345 nan 8.190 nan 0.000 0.430 434 Y N 3.687 123.934 120.300 -0.089 0.000 2.377 434 Y HA 0.470 5.029 4.550 0.015 0.000 0.330 434 Y C 0.830 176.764 175.900 0.057 0.000 1.108 434 Y CA 0.243 58.373 58.100 0.050 0.000 1.308 434 Y CB 0.617 39.200 38.460 0.206 0.000 1.216 434 Y HN 0.563 nan 8.280 nan 0.000 0.518 435 E N 2.478 122.782 120.200 0.173 0.000 2.320 435 E HA 0.355 4.714 4.350 0.015 0.000 0.264 435 E C -1.097 175.503 176.600 0.000 0.000 0.923 435 E CA -1.462 55.003 56.400 0.107 0.000 0.796 435 E CB 2.105 31.817 29.700 0.020 0.000 1.262 435 E HN 0.496 nan 8.360 nan 0.000 0.428 436 K N -0.497 119.829 120.400 -0.123 0.000 2.098 436 K HA 0.495 4.824 4.320 0.015 0.000 0.261 436 K C -0.435 176.082 176.600 -0.138 0.000 0.987 436 K CA -0.790 55.312 56.287 -0.308 0.000 0.916 436 K CB 1.554 33.679 32.500 -0.624 0.000 1.039 436 K HN 0.293 nan 8.250 nan 0.000 0.455 437 V N -0.551 119.288 119.914 -0.125 0.000 2.349 437 V HA 0.779 4.908 4.120 0.015 0.000 0.284 437 V C -0.017 176.030 176.094 -0.079 0.000 1.014 437 V CA 0.737 62.994 62.300 -0.072 0.000 0.826 437 V CB -0.107 31.694 31.823 -0.037 0.000 1.009 437 V HN 1.264 nan 8.190 nan 0.000 0.431 438 G N 3.946 112.707 108.800 -0.065 0.000 2.331 438 G HA2 -0.009 3.960 3.960 0.015 0.000 0.479 438 G HA3 -0.009 3.960 3.960 0.015 0.000 0.479 438 G C -0.823 174.040 174.900 -0.061 0.000 1.262 438 G CA -0.564 44.502 45.100 -0.057 0.000 1.029 438 G HN 0.907 nan 8.290 nan 0.000 0.487 439 E N 0.348 120.516 120.200 -0.052 0.000 2.392 439 E HA 0.415 4.774 4.350 0.015 0.000 0.264 439 E C 1.616 178.187 176.600 -0.047 0.000 1.024 439 E CA 0.428 56.803 56.400 -0.042 0.000 0.903 439 E CB 1.320 30.991 29.700 -0.048 0.000 0.963 439 E HN 1.009 nan 8.360 nan 0.000 0.432 440 A N 3.367 126.186 122.820 -0.001 0.000 1.917 440 A HA -0.225 4.104 4.320 0.015 0.000 0.219 440 A C 2.101 179.722 177.584 0.062 0.000 1.182 440 A CA 2.476 54.556 52.037 0.071 0.000 0.633 440 A CB -0.791 18.291 19.000 0.136 0.000 0.819 440 A HN 0.707 nan 8.150 nan 0.000 0.448 441 T N -1.098 113.469 114.554 0.020 0.000 2.821 441 T HA -0.116 4.243 4.350 0.015 0.000 0.267 441 T C 1.656 176.350 174.700 -0.011 0.000 1.046 441 T CA 1.365 63.470 62.100 0.008 0.000 1.139 441 T CB -0.332 68.525 68.868 -0.019 0.000 0.871 441 T HN 0.640 nan 8.240 nan 0.000 0.454 442 E N 1.242 121.421 120.200 -0.035 0.000 2.028 442 E HA -0.083 4.277 4.350 0.015 0.000 0.190 442 E C 2.535 179.100 176.600 -0.058 0.000 0.984 442 E CA 1.485 57.858 56.400 -0.045 0.000 0.800 442 E CB -0.584 29.086 29.700 -0.050 0.000 0.758 442 E HN 0.477 nan 8.360 nan 0.000 0.448 443 T N 1.658 116.152 114.554 -0.101 0.000 2.751 443 T HA -0.240 4.119 4.350 0.015 0.000 0.268 443 T C 1.990 176.636 174.700 -0.090 0.000 1.045 443 T CA 1.308 63.294 62.100 -0.190 0.000 1.142 443 T CB -0.305 68.283 68.868 -0.467 0.000 0.851 443 T HN 0.264 nan 8.240 nan 0.000 0.474 444 A N 1.266 124.109 122.820 0.039 0.000 1.940 444 A HA -0.001 4.328 4.320 0.015 0.000 0.219 444 A C 2.301 179.900 177.584 0.026 0.000 1.176 444 A CA 1.224 53.325 52.037 0.107 0.000 0.631 444 A CB -0.717 18.342 19.000 0.097 0.000 0.814 444 A HN 0.533 nan 8.150 nan 0.000 0.446 445 L N -1.228 119.986 121.223 -0.014 0.000 2.156 445 L HA -0.099 4.250 4.340 0.015 0.000 0.208 445 L C 2.695 179.534 176.870 -0.052 0.000 1.095 445 L CA 1.451 56.267 54.840 -0.040 0.000 0.770 445 L CB -0.993 41.037 42.059 -0.049 0.000 0.914 445 L HN 0.299 nan 8.230 nan 0.000 0.439 446 T N -0.731 113.792 114.554 -0.053 0.000 2.708 446 T HA -0.179 4.180 4.350 0.015 0.000 0.266 446 T C 1.947 176.613 174.700 -0.056 0.000 1.037 446 T CA 2.084 64.148 62.100 -0.060 0.000 1.146 446 T CB -0.202 68.623 68.868 -0.073 0.000 0.865 446 T HN 0.311 nan 8.240 nan 0.000 0.435 447 T N 2.255 116.785 114.554 -0.039 0.000 2.821 447 T HA -0.018 4.341 4.350 0.015 0.000 0.267 447 T C 1.869 176.541 174.700 -0.047 0.000 1.046 447 T CA 0.728 62.809 62.100 -0.033 0.000 1.139 447 T CB -0.408 68.488 68.868 0.046 0.000 0.871 447 T HN 0.126 nan 8.240 nan 0.000 0.454 448 L N 2.312 123.509 121.223 -0.043 0.000 2.083 448 L HA -0.061 4.288 4.340 0.015 0.000 0.209 448 L C 2.482 179.301 176.870 -0.084 0.000 1.083 448 L CA 1.531 56.333 54.840 -0.064 0.000 0.752 448 L CB -0.682 41.339 42.059 -0.065 0.000 0.899 448 L HN 0.272 nan 8.230 nan 0.000 0.433 449 V N -3.986 115.879 119.914 -0.082 0.000 2.591 449 V HA -0.056 4.073 4.120 0.015 0.000 0.249 449 V C 2.397 178.443 176.094 -0.080 0.000 1.053 449 V CA 1.127 63.373 62.300 -0.091 0.000 1.068 449 V CB -0.848 30.922 31.823 -0.087 0.000 0.689 449 V HN 0.345 nan 8.190 nan 0.000 0.462 450 E N 1.631 121.787 120.200 -0.072 0.000 2.007 450 E HA -0.161 4.198 4.350 0.015 0.000 0.194 450 E C 2.194 178.749 176.600 -0.075 0.000 0.999 450 E CA 1.769 58.126 56.400 -0.071 0.000 0.811 450 E CB -0.489 29.156 29.700 -0.092 0.000 0.762 450 E HN 0.653 nan 8.360 nan 0.000 0.450 451 K N 0.161 120.512 120.400 -0.081 0.000 2.089 451 K HA -0.163 4.166 4.320 0.015 0.000 0.210 451 K C 2.317 178.868 176.600 -0.081 0.000 1.048 451 K CA 1.782 58.024 56.287 -0.075 0.000 0.926 451 K CB -0.239 32.218 32.500 -0.072 0.000 0.714 451 K HN 0.114 nan 8.250 nan 0.000 0.448 452 M N 0.245 119.785 119.600 -0.101 0.000 2.156 452 M HA -0.103 4.386 4.480 0.015 0.000 0.264 452 M C 0.409 176.636 176.300 -0.122 0.000 1.067 452 M CA 0.497 55.719 55.300 -0.130 0.000 1.131 452 M CB -0.258 32.242 32.600 -0.167 0.000 1.368 452 M HN 0.143 nan 8.290 nan 0.000 0.416 453 N N 1.046 119.683 118.700 -0.105 0.000 2.629 453 N HA -0.129 4.620 4.740 0.015 0.000 0.278 453 N C 0.324 175.753 175.510 -0.135 0.000 1.102 453 N CA 0.571 53.569 53.050 -0.086 0.000 0.759 453 N CB -0.301 38.158 38.487 -0.046 0.000 0.911 453 N HN 0.340 nan 8.380 nan 0.000 0.553 454 V N -1.245 118.511 119.914 -0.264 0.000 3.306 454 V HA 0.125 4.254 4.120 0.015 0.000 0.264 454 V C 1.443 177.189 176.094 -0.580 0.000 1.149 454 V CA 1.085 63.121 62.300 -0.440 0.000 1.143 454 V CB -0.588 30.882 31.823 -0.588 0.000 0.767 454 V HN 0.262 nan 8.190 nan 0.000 0.476 455 F N 1.624 121.554 119.950 -0.033 0.000 2.641 455 F HA 0.465 5.001 4.527 0.015 0.000 0.302 455 F C 1.109 176.897 175.800 -0.020 0.000 1.098 455 F CA -1.014 56.971 58.000 -0.026 0.000 1.318 455 F CB -0.842 38.141 39.000 -0.029 0.000 1.035 455 F HN 0.239 nan 8.300 nan 0.000 0.551 456 N N 0.374 119.108 118.700 0.056 0.000 2.716 456 N HA -0.187 4.563 4.740 0.015 0.000 0.250 456 N C -0.062 175.481 175.510 0.054 0.000 1.033 456 N CA 0.950 54.021 53.050 0.036 0.000 0.727 456 N CB -1.901 36.602 38.487 0.026 0.000 0.950 456 N HN 0.166 nan 8.380 nan 0.000 0.541 457 T N 0.897 115.494 114.554 0.071 0.000 2.940 457 T HA 0.010 4.369 4.350 0.015 0.000 0.309 457 T C 0.853 175.570 174.700 0.028 0.000 1.056 457 T CA 0.028 62.161 62.100 0.055 0.000 1.137 457 T CB 1.168 70.072 68.868 0.061 0.000 0.976 457 T HN 0.146 nan 8.240 nan 0.000 0.547 458 E N 2.047 122.259 120.200 0.020 0.000 2.265 458 E HA 0.212 4.571 4.350 0.015 0.000 0.272 458 E C 0.577 177.181 176.600 0.006 0.000 1.067 458 E CA -0.250 56.156 56.400 0.011 0.000 0.900 458 E CB 0.217 29.922 29.700 0.008 0.000 1.017 458 E HN 0.433 nan 8.360 nan 0.000 0.431 459 V N 1.817 121.733 119.914 0.003 0.000 3.497 459 V HA 0.238 4.368 4.120 0.015 0.000 0.272 459 V C 1.679 177.771 176.094 -0.004 0.000 1.474 459 V CA 0.050 62.350 62.300 -0.001 0.000 1.025 459 V CB -0.082 31.739 31.823 -0.004 0.000 0.820 459 V HN 0.462 nan 8.190 nan 0.000 0.437 460 R N 3.292 123.791 120.500 -0.003 0.000 2.097 460 R HA -0.140 4.209 4.340 0.015 0.000 0.236 460 R C 2.142 178.438 176.300 -0.007 0.000 1.135 460 R CA 2.130 58.228 56.100 -0.003 0.000 0.934 460 R CB -0.805 29.495 30.300 -0.001 0.000 0.846 460 R HN 0.793 nan 8.270 nan 0.000 0.431 461 N N 1.752 120.448 118.700 -0.007 0.000 2.635 461 N HA -0.126 4.623 4.740 0.015 0.000 0.191 461 N C 0.057 175.557 175.510 -0.016 0.000 1.155 461 N CA 0.689 53.733 53.050 -0.010 0.000 0.927 461 N CB -0.109 38.374 38.487 -0.007 0.000 0.976 461 N HN 0.221 nan 8.380 nan 0.000 0.448 462 L N 1.649 122.861 121.223 -0.018 0.000 2.350 462 L HA 0.157 4.506 4.340 0.015 0.000 0.275 462 L C 0.856 177.699 176.870 -0.045 0.000 1.099 462 L CA -0.714 54.112 54.840 -0.024 0.000 0.808 462 L CB 1.342 43.392 42.059 -0.015 0.000 1.149 462 L HN 0.117 nan 8.230 nan 0.000 0.442 463 S N 1.980 117.645 115.700 -0.058 0.000 2.576 463 S HA 0.064 4.543 4.470 0.015 0.000 0.272 463 S C 0.845 175.349 174.600 -0.160 0.000 1.352 463 S CA -0.433 57.703 58.200 -0.106 0.000 1.021 463 S CB 1.179 64.323 63.200 -0.094 0.000 0.887 463 S HN 0.609 nan 8.310 nan 0.000 0.542 464 K N 0.637 120.836 120.400 -0.334 0.000 1.985 464 K HA -0.104 4.225 4.320 0.015 0.000 0.210 464 K C 2.190 178.529 176.600 -0.434 0.000 1.047 464 K CA 1.572 57.525 56.287 -0.558 0.000 0.932 464 K CB -1.056 30.640 32.500 -1.340 0.000 0.716 464 K HN 0.598 nan 8.250 nan 0.000 0.439 465 V N 1.329 120.976 119.914 -0.445 0.000 2.265 465 V HA -0.343 3.786 4.120 0.015 0.000 0.259 465 V C 2.198 178.307 176.094 0.024 0.000 1.084 465 V CA 2.565 64.824 62.300 -0.068 0.000 1.076 465 V CB -0.794 31.010 31.823 -0.031 0.000 0.680 465 V HN 0.422 nan 8.190 nan 0.000 0.452 466 E N 0.141 120.333 120.200 -0.012 0.000 2.371 466 E HA -0.109 4.250 4.350 0.015 0.000 0.194 466 E C 2.062 178.680 176.600 0.029 0.000 1.012 466 E CA 0.673 57.080 56.400 0.013 0.000 0.860 466 E CB -0.109 29.586 29.700 -0.007 0.000 0.811 466 E HN 0.583 nan 8.360 nan 0.000 0.502 467 R N -0.005 120.520 120.500 0.042 0.000 2.210 467 R HA 0.225 4.574 4.340 0.015 0.000 0.203 467 R C 1.860 178.203 176.300 0.072 0.000 1.010 467 R CA 1.208 57.338 56.100 0.049 0.000 1.008 467 R CB -0.563 29.766 30.300 0.050 0.000 0.923 467 R HN 0.134 nan 8.270 nan 0.000 0.469 468 A N 1.070 124.004 122.820 0.190 0.000 1.909 468 A HA -0.230 4.099 4.320 0.015 0.000 0.221 468 A C 1.479 179.093 177.584 0.050 0.000 1.223 468 A CA 2.126 54.282 52.037 0.198 0.000 0.658 468 A CB -0.499 18.691 19.000 0.316 0.000 0.831 468 A HN 0.552 nan 8.150 nan 0.000 0.462 469 N N -1.756 116.971 118.700 0.045 0.000 2.197 469 N HA 0.341 5.090 4.740 0.015 0.000 0.228 469 N C 1.342 176.857 175.510 0.008 0.000 1.212 469 N CA 0.698 53.757 53.050 0.016 0.000 0.883 469 N CB 0.428 38.928 38.487 0.022 0.000 1.107 469 N HN 0.437 nan 8.380 nan 0.000 0.519 470 A N 0.786 123.611 122.820 0.010 0.000 1.881 470 A HA -0.254 4.075 4.320 0.015 0.000 0.219 470 A C 2.396 179.987 177.584 0.011 0.000 1.215 470 A CA 1.796 53.837 52.037 0.008 0.000 0.648 470 A CB -1.004 18.000 19.000 0.006 0.000 0.832 470 A HN 0.435 nan 8.150 nan 0.000 0.455 471 C N -0.854 118.450 119.300 0.007 0.000 2.466 471 C HA -0.048 4.421 4.460 0.015 0.000 0.278 471 C C 2.654 177.661 174.990 0.028 0.000 1.288 471 C CA 0.699 59.732 59.018 0.025 0.000 1.722 471 C CB -1.705 26.037 27.740 0.003 0.000 2.017 471 C HN 0.657 nan 8.230 nan 0.000 0.488 472 N N 1.242 119.942 118.700 0.001 0.000 2.037 472 N HA -0.172 4.578 4.740 0.015 0.000 0.196 472 N C 1.856 177.368 175.510 0.003 0.000 1.034 472 N CA 1.911 54.958 53.050 -0.006 0.000 0.861 472 N CB -0.360 38.116 38.487 -0.018 0.000 1.039 472 N HN 0.445 nan 8.380 nan 0.000 0.427 473 S N 0.655 116.357 115.700 0.003 0.000 2.370 473 S HA -0.102 4.377 4.470 0.015 0.000 0.226 473 S C 2.301 176.896 174.600 -0.007 0.000 1.033 473 S CA 0.948 59.147 58.200 -0.001 0.000 1.011 473 S CB -0.335 62.865 63.200 0.001 0.000 0.852 473 S HN 0.136 nan 8.310 nan 0.000 0.457 474 V N 2.150 122.065 119.914 0.002 0.000 2.219 474 V HA -0.255 3.874 4.120 0.015 0.000 0.248 474 V C 2.082 178.150 176.094 -0.044 0.000 1.053 474 V CA 2.045 64.332 62.300 -0.021 0.000 1.009 474 V CB -0.782 31.061 31.823 0.034 0.000 0.636 474 V HN 0.442 nan 8.190 nan 0.000 0.445 475 I N 0.469 121.061 120.570 0.037 0.000 2.236 475 I HA -0.290 3.889 4.170 0.015 0.000 0.249 475 I C 2.533 178.640 176.117 -0.017 0.000 1.102 475 I CA 1.876 63.201 61.300 0.040 0.000 1.365 475 I CB -0.371 37.671 38.000 0.071 0.000 1.051 475 I HN 0.419 nan 8.210 nan 0.000 0.420 476 R N 0.184 120.674 120.500 -0.017 0.000 2.310 476 R HA 0.032 4.381 4.340 0.015 0.000 0.202 476 R C 1.323 177.612 176.300 -0.019 0.000 0.933 476 R CA 0.252 56.343 56.100 -0.015 0.000 1.054 476 R CB -0.170 30.125 30.300 -0.008 0.000 0.985 476 R HN 0.399 nan 8.270 nan 0.000 0.489 477 Q N 0.414 120.192 119.800 -0.038 0.000 2.376 477 Q HA 0.091 4.441 4.340 0.015 0.000 0.206 477 Q C 1.717 177.681 176.000 -0.059 0.000 0.921 477 Q CA 0.496 56.272 55.803 -0.045 0.000 0.911 477 Q CB 0.145 28.848 28.738 -0.059 0.000 1.032 477 Q HN 0.227 nan 8.270 nan 0.000 0.510 478 L N -0.476 120.699 121.223 -0.079 0.000 2.072 478 L HA 0.050 4.399 4.340 0.015 0.000 0.205 478 L C 0.905 177.760 176.870 -0.024 0.000 1.079 478 L CA 1.366 56.158 54.840 -0.080 0.000 0.752 478 L CB 0.002 41.988 42.059 -0.121 0.000 0.906 478 L HN 0.134 nan 8.230 nan 0.000 0.436 479 M N 0.037 119.638 119.600 0.003 0.000 2.197 479 M HA 0.220 4.710 4.480 0.015 0.000 0.301 479 M C -0.418 175.903 176.300 0.035 0.000 0.987 479 M CA -0.402 54.922 55.300 0.040 0.000 0.921 479 M CB 1.815 34.481 32.600 0.110 0.000 1.569 479 M HN -0.058 nan 8.290 nan 0.000 0.431 480 K N 3.489 123.908 120.400 0.032 0.000 2.349 480 K HA 0.112 4.442 4.320 0.015 0.000 0.289 480 K C -0.069 176.559 176.600 0.046 0.000 1.064 480 K CA -0.044 56.265 56.287 0.036 0.000 0.947 480 K CB 0.682 33.205 32.500 0.037 0.000 1.007 480 K HN 0.539 nan 8.250 nan 0.000 0.478 481 K N 3.893 124.318 120.400 0.042 0.000 2.363 481 K HA -0.060 4.269 4.320 0.015 0.000 0.289 481 K C 0.276 176.909 176.600 0.055 0.000 1.063 481 K CA -0.038 56.270 56.287 0.036 0.000 0.967 481 K CB 0.772 33.289 32.500 0.029 0.000 0.987 481 K HN 0.612 nan 8.250 nan 0.000 0.473 482 E N 3.887 124.124 120.200 0.063 0.000 2.021 482 E HA 0.042 4.401 4.350 0.015 0.000 0.189 482 E C -0.302 176.450 176.600 0.253 0.000 0.980 482 E CA 1.431 57.935 56.400 0.175 0.000 0.803 482 E CB 0.114 30.000 29.700 0.309 0.000 0.766 482 E HN 0.548 nan 8.360 nan 0.000 0.449 483 F N -3.315 116.676 119.950 0.069 0.000 2.779 483 F HA 0.575 5.112 4.527 0.015 0.000 0.316 483 F C -0.829 174.995 175.800 0.040 0.000 1.164 483 F CA -1.061 56.955 58.000 0.026 0.000 0.924 483 F CB 1.275 40.259 39.000 -0.027 0.000 1.348 483 F HN -0.265 nan 8.300 nan 0.000 0.467 484 T N 1.472 116.097 114.554 0.117 0.000 2.879 484 T HA 0.577 4.936 4.350 0.015 0.000 0.290 484 T C -1.218 173.506 174.700 0.041 0.000 0.993 484 T CA -0.675 61.424 62.100 -0.002 0.000 0.975 484 T CB 0.843 69.724 68.868 0.022 0.000 0.981 484 T HN 0.829 nan 8.240 nan 0.000 0.439 485 L N 5.793 126.953 121.223 -0.105 0.000 2.385 485 L HA 0.311 4.660 4.340 0.015 0.000 0.285 485 L C 1.317 178.141 176.870 -0.078 0.000 1.125 485 L CA -0.830 53.805 54.840 -0.341 0.000 0.890 485 L CB -0.023 41.675 42.059 -0.602 0.000 1.251 485 L HN 0.722 nan 8.230 nan 0.000 0.445 486 E N 3.479 123.740 120.200 0.102 0.000 2.442 486 E HA -0.132 4.227 4.350 0.015 0.000 0.262 486 E C -0.264 176.512 176.600 0.293 0.000 1.004 486 E CA -0.459 56.075 56.400 0.223 0.000 0.928 486 E CB 0.770 30.619 29.700 0.248 0.000 0.937 486 E HN 0.338 nan 8.360 nan 0.000 0.446 487 F N 2.785 122.811 119.950 0.127 0.000 2.635 487 F HA -0.054 4.482 4.527 0.015 0.000 0.379 487 F C 0.166 176.050 175.800 0.141 0.000 1.094 487 F CA 0.916 58.988 58.000 0.120 0.000 1.300 487 F CB 0.453 39.504 39.000 0.085 0.000 1.035 487 F HN 0.499 nan 8.300 nan 0.000 0.581 488 S N 5.648 121.024 115.700 -0.540 0.000 2.526 488 S HA 0.501 4.980 4.470 0.015 0.000 0.293 488 S C 0.573 174.732 174.600 -0.736 0.000 1.092 488 S CA -1.068 56.872 58.200 -0.433 0.000 0.980 488 S CB 2.118 65.219 63.200 -0.164 0.000 1.048 488 S HN 0.800 nan 8.310 nan 0.000 0.483 489 R N 1.398 121.684 120.500 -0.357 0.000 2.117 489 R HA -0.139 4.210 4.340 0.015 0.000 0.243 489 R C 1.702 177.896 176.300 -0.177 0.000 1.143 489 R CA 2.136 58.114 56.100 -0.204 0.000 0.968 489 R CB -0.585 29.708 30.300 -0.012 0.000 0.863 489 R HN 0.892 nan 8.270 nan 0.000 0.444 490 D N 1.094 121.397 120.400 -0.161 0.000 2.104 490 D HA -0.252 4.397 4.640 0.015 0.000 0.194 490 D C 1.689 177.922 176.300 -0.111 0.000 0.994 490 D CA 1.571 55.503 54.000 -0.112 0.000 0.830 490 D CB -0.291 40.449 40.800 -0.101 0.000 0.959 490 D HN 0.441 nan 8.370 nan 0.000 0.452 491 R N 0.302 120.707 120.500 -0.157 0.000 2.308 491 R HA 0.173 4.522 4.340 0.015 0.000 0.202 491 R C 0.494 176.734 176.300 -0.100 0.000 0.898 491 R CA -0.325 55.714 56.100 -0.102 0.000 1.046 491 R CB -0.035 30.227 30.300 -0.063 0.000 1.026 491 R HN -0.162 nan 8.270 nan 0.000 0.512 492 K N 1.547 121.811 120.400 -0.227 0.000 3.148 492 K HA -0.203 4.127 4.320 0.015 0.000 0.267 492 K C -1.076 175.608 176.600 0.140 0.000 0.996 492 K CA 0.869 57.128 56.287 -0.048 0.000 0.737 492 K CB -1.368 31.186 32.500 0.091 0.000 1.308 492 K HN 0.731 nan 8.250 nan 0.000 0.470 493 S N -1.459 114.274 115.700 0.054 0.000 2.656 493 S HA 0.761 5.240 4.470 0.015 0.000 0.265 493 S C -0.909 173.828 174.600 0.229 0.000 1.132 493 S CA -0.787 57.549 58.200 0.226 0.000 0.819 493 S CB 2.051 65.329 63.200 0.129 0.000 1.119 493 S HN 0.485 nan 8.310 nan 0.000 0.476 494 M N 0.168 119.898 119.600 0.217 0.000 2.682 494 M HA 0.845 5.335 4.480 0.015 0.000 0.272 494 M C -1.264 175.099 176.300 0.106 0.000 1.232 494 M CA -0.279 55.131 55.300 0.184 0.000 0.849 494 M CB 1.695 34.444 32.600 0.249 0.000 1.695 494 M HN 1.560 nan 8.290 nan 0.000 0.481 495 S N 0.564 116.296 115.700 0.053 0.000 2.724 495 S HA 0.881 5.361 4.470 0.015 0.000 0.278 495 S C -1.821 172.758 174.600 -0.034 0.000 1.190 495 S CA -0.689 57.524 58.200 0.022 0.000 0.860 495 S CB 1.844 65.052 63.200 0.014 0.000 1.206 495 S HN 1.130 nan 8.310 nan 0.000 0.507 496 V N 1.407 121.283 119.914 -0.065 0.000 2.697 496 V HA 0.491 4.620 4.120 0.015 0.000 0.300 496 V C -2.079 173.871 176.094 -0.240 0.000 1.115 496 V CA -0.523 61.705 62.300 -0.119 0.000 0.912 496 V CB 1.819 33.643 31.823 0.001 0.000 1.024 496 V HN 0.909 nan 8.190 nan 0.000 0.431 497 Y N 5.228 125.152 120.300 -0.626 0.000 2.341 497 Y HA 0.624 5.183 4.550 0.015 0.000 0.340 497 Y C -0.020 175.620 175.900 -0.434 0.000 0.997 497 Y CA -0.208 57.473 58.100 -0.699 0.000 1.149 497 Y CB 1.109 38.707 38.460 -1.436 0.000 1.171 497 Y HN 0.674 nan 8.280 nan 0.000 0.494 498 C N 4.537 123.585 119.300 -0.420 0.000 2.498 498 C HA 0.690 5.159 4.460 0.015 0.000 0.316 498 C C -0.567 174.332 174.990 -0.152 0.000 1.209 498 C CA -0.804 58.118 59.018 -0.161 0.000 1.518 498 C CB 0.769 28.489 27.740 -0.033 0.000 2.147 498 C HN 0.907 nan 8.230 nan 0.000 0.483 499 S N 3.122 118.815 115.700 -0.011 0.000 2.537 499 S HA 0.761 5.240 4.470 0.015 0.000 0.301 499 S C -3.094 171.512 174.600 0.008 0.000 1.092 499 S CA -1.267 56.935 58.200 0.004 0.000 1.048 499 S CB 1.449 64.687 63.200 0.063 0.000 1.053 499 S HN 0.482 nan 8.310 nan 0.000 0.501 500 P HA 0.299 nan 4.420 nan 0.000 0.270 500 P C 0.208 177.511 177.300 0.005 0.000 1.223 500 P CA -0.280 62.822 63.100 0.004 0.000 0.785 500 P CB 0.493 32.191 31.700 -0.003 0.000 0.923 501 A N 2.269 125.087 122.820 -0.004 0.000 2.063 501 A HA -0.022 4.308 4.320 0.015 0.000 0.211 501 A C 1.644 179.221 177.584 -0.011 0.000 1.177 501 A CA 0.991 53.024 52.037 -0.007 0.000 0.759 501 A CB -0.491 18.498 19.000 -0.017 0.000 0.857 501 A HN 0.640 nan 8.150 nan 0.000 0.468 502 K N -1.515 118.875 120.400 -0.016 0.000 2.350 502 K HA 0.247 4.577 4.320 0.015 0.000 0.196 502 K C 0.009 176.601 176.600 -0.012 0.000 1.084 502 K CA 0.506 56.782 56.287 -0.018 0.000 0.967 502 K CB 0.206 32.689 32.500 -0.028 0.000 0.950 502 K HN 0.085 nan 8.250 nan 0.000 0.512 503 S N 2.013 117.707 115.700 -0.009 0.000 2.405 503 S HA 0.122 4.601 4.470 0.015 0.000 0.291 503 S C 0.245 174.843 174.600 -0.004 0.000 1.137 503 S CA -0.641 57.555 58.200 -0.007 0.000 1.061 503 S CB 1.367 64.563 63.200 -0.007 0.000 1.001 503 S HN 0.242 nan 8.310 nan 0.000 0.507 504 S N 3.392 119.089 115.700 -0.004 0.000 2.522 504 S HA -0.013 4.466 4.470 0.015 0.000 0.227 504 S C 1.877 176.476 174.600 -0.001 0.000 0.986 504 S CA 0.178 58.377 58.200 -0.002 0.000 0.929 504 S CB -0.006 63.192 63.200 -0.003 0.000 0.769 504 S HN 0.600 nan 8.310 nan 0.000 0.529 505 R N 1.298 121.796 120.500 -0.003 0.000 2.185 505 R HA -0.139 4.210 4.340 0.015 0.000 0.247 505 R C 1.481 177.780 176.300 -0.002 0.000 1.159 505 R CA 0.926 57.025 56.100 -0.003 0.000 0.988 505 R CB -0.419 29.879 30.300 -0.004 0.000 0.871 505 R HN 0.408 nan 8.270 nan 0.000 0.458 506 A N -1.400 121.420 122.820 -0.001 0.000 3.330 506 A HA -0.154 4.175 4.320 0.015 0.000 0.248 506 A C 0.343 177.927 177.584 -0.001 0.000 1.237 506 A CA 0.634 52.672 52.037 0.001 0.000 1.268 506 A CB -1.862 17.139 19.000 0.001 0.000 1.128 506 A HN 0.430 nan 8.150 nan 0.000 0.922 507 A N 0.505 123.323 122.820 -0.003 0.000 2.256 507 A HA 0.660 4.989 4.320 0.015 0.000 0.317 507 A C 0.305 177.885 177.584 -0.008 0.000 1.318 507 A CA 0.263 52.296 52.037 -0.006 0.000 0.894 507 A CB 0.571 19.566 19.000 -0.008 0.000 1.165 507 A HN 1.785 nan 8.150 nan 0.000 0.525 508 V N 2.401 122.309 119.914 -0.009 0.000 2.356 508 V HA 0.542 4.671 4.120 0.015 0.000 0.258 508 V C 0.945 177.019 176.094 -0.033 0.000 1.065 508 V CA 0.355 62.648 62.300 -0.012 0.000 0.935 508 V CB 0.293 32.116 31.823 0.000 0.000 1.061 508 V HN 0.950 nan 8.190 nan 0.000 0.484 509 G N 4.050 112.828 108.800 -0.036 0.000 2.990 509 G HA2 -0.067 3.902 3.960 0.015 0.000 0.206 509 G HA3 -0.067 3.902 3.960 0.015 0.000 0.206 509 G C 0.568 175.405 174.900 -0.104 0.000 1.169 509 G CA -0.356 44.712 45.100 -0.054 0.000 0.819 509 G HN 0.792 nan 8.290 nan 0.000 0.517 510 N N 0.673 119.306 118.700 -0.113 0.000 2.219 510 N HA 0.069 4.818 4.740 0.015 0.000 0.263 510 N C -0.327 174.959 175.510 -0.375 0.000 1.269 510 N CA 1.121 54.044 53.050 -0.212 0.000 0.831 510 N CB 0.279 38.693 38.487 -0.122 0.000 1.059 510 N HN 0.199 nan 8.380 nan 0.000 0.475 511 K N 2.333 122.371 120.400 -0.603 0.000 2.542 511 K HA 0.367 4.697 4.320 0.015 0.000 0.259 511 K C -1.079 174.922 176.600 -0.999 0.000 0.932 511 K CA -0.488 55.349 56.287 -0.750 0.000 0.820 511 K CB 2.006 34.053 32.500 -0.755 0.000 1.345 511 K HN 0.350 nan 8.250 nan 0.000 0.432 512 M N 2.871 121.964 119.600 -0.844 0.000 2.268 512 M HA 0.462 4.951 4.480 0.015 0.000 0.344 512 M C -1.155 174.769 176.300 -0.628 0.000 1.106 512 M CA -0.637 54.270 55.300 -0.653 0.000 1.010 512 M CB 0.841 33.240 32.600 -0.333 0.000 1.649 512 M HN 0.337 nan 8.290 nan 0.000 0.443 513 F N 2.140 122.008 119.950 -0.136 0.000 2.444 513 F HA 0.595 5.131 4.527 0.015 0.000 0.342 513 F C -0.211 175.552 175.800 -0.062 0.000 1.121 513 F CA -0.931 57.013 58.000 -0.093 0.000 0.997 513 F CB 1.313 40.258 39.000 -0.092 0.000 1.130 513 F HN 0.151 nan 8.300 nan 0.000 0.454 514 V N 3.736 123.735 119.914 0.142 0.000 2.628 514 V HA 0.585 4.714 4.120 0.015 0.000 0.306 514 V C -0.488 175.647 176.094 0.068 0.000 1.045 514 V CA -1.131 61.221 62.300 0.086 0.000 0.905 514 V CB 1.933 33.798 31.823 0.070 0.000 0.997 514 V HN 0.739 nan 8.190 nan 0.000 0.436 515 K N 2.398 122.839 120.400 0.070 0.000 2.385 515 K HA 0.968 5.297 4.320 0.015 0.000 0.248 515 K C -0.332 176.327 176.600 0.098 0.000 0.955 515 K CA -0.523 55.797 56.287 0.056 0.000 0.816 515 K CB 2.777 35.294 32.500 0.029 0.000 1.250 515 K HN 1.063 nan 8.250 nan 0.000 0.434 516 G N 0.074 108.929 108.800 0.093 0.000 2.320 516 G HA2 0.421 4.390 3.960 0.015 0.000 0.296 516 G HA3 0.421 4.390 3.960 0.015 0.000 0.296 516 G C -1.364 173.608 174.900 0.119 0.000 1.306 516 G CA -0.623 44.561 45.100 0.139 0.000 0.836 516 G HN 0.791 nan 8.290 nan 0.000 0.517 517 A N 0.663 123.571 122.820 0.147 0.000 2.589 517 A HA 0.353 4.682 4.320 0.015 0.000 0.265 517 A C -0.603 177.042 177.584 0.101 0.000 0.973 517 A CA 1.206 53.316 52.037 0.122 0.000 0.902 517 A CB -0.249 18.828 19.000 0.128 0.000 0.846 517 A HN 0.398 nan 8.150 nan 0.000 0.489 518 P HA -0.191 nan 4.420 nan 0.000 0.215 518 P C 1.454 178.810 177.300 0.092 0.000 1.157 518 P CA 1.453 64.613 63.100 0.100 0.000 0.868 518 P CB 0.145 31.903 31.700 0.097 0.000 0.788 519 E N -0.140 120.103 120.200 0.072 0.000 2.033 519 E HA -0.194 4.165 4.350 0.015 0.000 0.199 519 E C 2.229 178.862 176.600 0.055 0.000 1.011 519 E CA 1.804 58.236 56.400 0.054 0.000 0.815 519 E CB -1.193 28.532 29.700 0.042 0.000 0.755 519 E HN 0.115 nan 8.360 nan 0.000 0.451 520 G N 0.690 109.525 108.800 0.059 0.000 2.529 520 G HA2 -0.301 3.669 3.960 0.015 0.000 0.219 520 G HA3 -0.301 3.669 3.960 0.015 0.000 0.219 520 G C 1.696 176.636 174.900 0.065 0.000 1.177 520 G CA 1.406 46.539 45.100 0.055 0.000 0.773 520 G HN 0.289 nan 8.290 nan 0.000 0.573 521 V N 1.174 121.140 119.914 0.086 0.000 2.427 521 V HA -0.103 4.027 4.120 0.015 0.000 0.248 521 V C 2.782 178.949 176.094 0.122 0.000 1.051 521 V CA 1.435 63.797 62.300 0.103 0.000 1.048 521 V CB -0.325 31.565 31.823 0.111 0.000 0.666 521 V HN 0.410 nan 8.190 nan 0.000 0.456 522 I N 0.070 120.715 120.570 0.126 0.000 2.394 522 I HA -0.185 3.994 4.170 0.015 0.000 0.251 522 I C 2.181 178.334 176.117 0.059 0.000 1.136 522 I CA 1.249 62.620 61.300 0.118 0.000 1.425 522 I CB -0.524 37.521 38.000 0.075 0.000 1.079 522 I HN 0.308 nan 8.210 nan 0.000 0.425 523 D N 1.386 121.812 120.400 0.044 0.000 2.123 523 D HA -0.146 4.503 4.640 0.015 0.000 0.196 523 D C 1.703 178.020 176.300 0.029 0.000 0.992 523 D CA 1.156 55.170 54.000 0.024 0.000 0.833 523 D CB -0.167 40.645 40.800 0.020 0.000 0.954 523 D HN 0.368 nan 8.370 nan 0.000 0.455 524 R N -0.359 120.171 120.500 0.050 0.000 2.547 524 R HA 0.240 4.589 4.340 0.015 0.000 0.258 524 R C -0.313 176.032 176.300 0.075 0.000 1.115 524 R CA -0.130 56.003 56.100 0.055 0.000 1.152 524 R CB -0.360 29.977 30.300 0.061 0.000 1.221 524 R HN 0.039 nan 8.270 nan 0.000 0.539 525 C N 1.591 120.935 119.300 0.073 0.000 2.281 525 C HA 0.303 4.772 4.460 0.015 0.000 0.323 525 C C 1.063 176.068 174.990 0.024 0.000 1.270 525 C CA -0.844 58.236 59.018 0.103 0.000 1.559 525 C CB 0.677 28.513 27.740 0.161 0.000 2.239 525 C HN 0.530 nan 8.230 nan 0.000 0.488 526 N N 1.234 119.918 118.700 -0.026 0.000 2.409 526 N HA 0.086 4.835 4.740 0.015 0.000 0.174 526 N C -0.157 175.076 175.510 -0.462 0.000 1.037 526 N CA 0.868 53.729 53.050 -0.316 0.000 0.898 526 N CB 0.298 38.467 38.487 -0.529 0.000 1.010 526 N HN 0.701 nan 8.380 nan 0.000 0.445 527 Y N -0.780 119.558 120.300 0.064 0.000 2.730 527 Y HA 0.634 5.194 4.550 0.015 0.000 0.325 527 Y C 0.013 175.980 175.900 0.112 0.000 1.132 527 Y CA -1.143 56.999 58.100 0.069 0.000 1.206 527 Y CB 1.271 39.768 38.460 0.062 0.000 1.390 527 Y HN -0.439 nan 8.280 nan 0.000 0.555 528 V N 1.193 121.289 119.914 0.303 0.000 2.567 528 V HA 0.359 4.488 4.120 0.015 0.000 0.298 528 V C -0.749 175.493 176.094 0.247 0.000 1.047 528 V CA -0.955 61.516 62.300 0.285 0.000 0.880 528 V CB 1.697 33.619 31.823 0.166 0.000 1.009 528 V HN 0.649 nan 8.190 nan 0.000 0.429 529 R N 3.630 124.275 120.500 0.242 0.000 2.389 529 R HA 0.509 4.858 4.340 0.015 0.000 0.295 529 R C -0.743 175.654 176.300 0.161 0.000 1.075 529 R CA -0.091 56.105 56.100 0.159 0.000 1.005 529 R CB 1.130 31.495 30.300 0.109 0.000 0.987 529 R HN 0.504 nan 8.270 nan 0.000 0.452 530 V N 6.095 126.085 119.914 0.125 0.000 2.294 530 V HA 0.361 4.490 4.120 0.015 0.000 0.258 530 V C 1.014 177.171 176.094 0.106 0.000 1.080 530 V CA 0.395 62.768 62.300 0.122 0.000 1.128 530 V CB -0.214 31.672 31.823 0.106 0.000 1.323 530 V HN 1.192 nan 8.190 nan 0.000 0.498 531 G N 3.464 112.331 108.800 0.113 0.000 2.972 531 G HA2 -0.328 3.641 3.960 0.015 0.000 0.265 531 G HA3 -0.328 3.641 3.960 0.015 0.000 0.265 531 G C 0.895 175.836 174.900 0.068 0.000 1.506 531 G CA 0.592 45.749 45.100 0.095 0.000 1.016 531 G HN 0.697 nan 8.290 nan 0.000 0.563 532 T N 0.333 114.919 114.554 0.053 0.000 3.037 532 T HA 0.396 4.755 4.350 0.015 0.000 0.251 532 T C 1.416 176.138 174.700 0.037 0.000 1.079 532 T CA 1.782 63.906 62.100 0.041 0.000 1.067 532 T CB -0.015 68.872 68.868 0.031 0.000 0.948 532 T HN 1.604 nan 8.240 nan 0.000 0.496 533 T N 0.607 115.189 114.554 0.046 0.000 2.874 533 T HA 0.495 4.854 4.350 0.015 0.000 0.281 533 T C -0.305 174.425 174.700 0.051 0.000 0.994 533 T CA -0.963 61.163 62.100 0.042 0.000 1.015 533 T CB 1.524 70.421 68.868 0.048 0.000 1.028 533 T HN 0.172 nan 8.240 nan 0.000 0.523 534 R N 1.135 121.661 120.500 0.042 0.000 2.513 534 R HA 0.610 4.959 4.340 0.015 0.000 0.301 534 R C -1.115 175.251 176.300 0.110 0.000 0.968 534 R CA -0.742 55.394 56.100 0.059 0.000 0.872 534 R CB 1.804 32.078 30.300 -0.044 0.000 1.177 534 R HN 0.783 nan 8.270 nan 0.000 0.444 535 V N 1.583 121.598 119.914 0.168 0.000 3.040 535 V HA 0.727 4.857 4.120 0.015 0.000 0.312 535 V C -2.827 173.389 176.094 0.203 0.000 1.115 535 V CA -2.699 59.701 62.300 0.168 0.000 0.998 535 V CB 2.227 34.113 31.823 0.106 0.000 1.042 535 V HN 0.606 nan 8.190 nan 0.000 0.433 536 P HA 0.305 nan 4.420 nan 0.000 0.271 536 P C -0.519 176.777 177.300 -0.007 0.000 1.218 536 P CA -0.232 62.884 63.100 0.027 0.000 0.780 536 P CB 0.305 31.999 31.700 -0.010 0.000 0.901 537 M N 3.714 123.273 119.600 -0.069 0.000 2.685 537 M HA 0.096 4.585 4.480 0.015 0.000 0.316 537 M C 0.276 176.532 176.300 -0.075 0.000 1.523 537 M CA 0.168 55.428 55.300 -0.066 0.000 1.472 537 M CB -1.208 31.345 32.600 -0.077 0.000 1.525 537 M HN 0.375 nan 8.290 nan 0.000 0.471 538 T N 0.875 115.394 114.554 -0.058 0.000 2.698 538 T HA 0.451 4.810 4.350 0.015 0.000 0.295 538 T C 1.212 175.873 174.700 -0.066 0.000 1.007 538 T CA -0.204 61.864 62.100 -0.054 0.000 0.980 538 T CB 0.813 69.658 68.868 -0.038 0.000 1.036 538 T HN 0.675 nan 8.240 nan 0.000 0.526 539 G N 0.442 109.208 108.800 -0.056 0.000 2.408 539 G HA2 0.079 4.048 3.960 0.015 0.000 0.215 539 G HA3 0.079 4.048 3.960 0.015 0.000 0.215 539 G C -0.503 174.355 174.900 -0.071 0.000 1.156 539 G CA 0.146 45.210 45.100 -0.061 0.000 0.793 539 G HN 0.720 nan 8.290 nan 0.000 0.535 540 P HA 0.071 nan 4.420 nan 0.000 0.229 540 P C 1.762 178.995 177.300 -0.112 0.000 1.160 540 P CA 0.380 63.436 63.100 -0.074 0.000 0.777 540 P CB 0.357 32.029 31.700 -0.047 0.000 0.814 541 V N 1.116 120.959 119.914 -0.119 0.000 2.331 541 V HA -0.118 4.011 4.120 0.015 0.000 0.242 541 V C 2.740 178.715 176.094 -0.199 0.000 1.034 541 V CA 1.503 63.706 62.300 -0.162 0.000 1.027 541 V CB -0.997 30.746 31.823 -0.133 0.000 0.667 541 V HN 0.076 nan 8.190 nan 0.000 0.457 542 K N -0.247 120.050 120.400 -0.171 0.000 2.218 542 K HA -0.241 4.088 4.320 0.015 0.000 0.205 542 K C 2.021 178.525 176.600 -0.160 0.000 1.046 542 K CA 1.414 57.594 56.287 -0.178 0.000 0.933 542 K CB 0.020 32.445 32.500 -0.124 0.000 0.728 542 K HN 0.365 nan 8.250 nan 0.000 0.454 543 E N 0.563 120.679 120.200 -0.140 0.000 2.158 543 E HA -0.127 4.232 4.350 0.015 0.000 0.191 543 E C 1.764 178.269 176.600 -0.159 0.000 0.982 543 E CA 0.889 57.214 56.400 -0.125 0.000 0.823 543 E CB 0.054 29.696 29.700 -0.097 0.000 0.766 543 E HN 0.144 nan 8.360 nan 0.000 0.468 544 K N 1.178 121.456 120.400 -0.203 0.000 2.007 544 K HA 0.017 4.346 4.320 0.015 0.000 0.206 544 K C 2.079 178.486 176.600 -0.322 0.000 1.047 544 K CA 0.796 56.927 56.287 -0.259 0.000 0.937 544 K CB -0.522 31.801 32.500 -0.296 0.000 0.718 544 K HN -0.003 nan 8.250 nan 0.000 0.438 545 I N 0.865 121.238 120.570 -0.329 0.000 2.074 545 I HA -0.370 3.809 4.170 0.015 0.000 0.238 545 I C 2.237 178.263 176.117 -0.152 0.000 1.037 545 I CA 1.710 62.842 61.300 -0.280 0.000 1.301 545 I CB -0.432 37.340 38.000 -0.379 0.000 1.016 545 I HN 0.184 nan 8.210 nan 0.000 0.400 546 L N 0.504 121.645 121.223 -0.137 0.000 2.265 546 L HA -0.202 4.147 4.340 0.015 0.000 0.215 546 L C 2.801 179.620 176.870 -0.086 0.000 1.117 546 L CA 1.553 56.346 54.840 -0.077 0.000 0.782 546 L CB -0.518 41.499 42.059 -0.071 0.000 0.914 546 L HN 0.472 nan 8.230 nan 0.000 0.441 547 S N -0.680 114.937 115.700 -0.137 0.000 2.345 547 S HA -0.119 4.360 4.470 0.015 0.000 0.219 547 S C 1.878 176.381 174.600 -0.161 0.000 1.031 547 S CA 1.114 59.233 58.200 -0.134 0.000 0.984 547 S CB -0.493 62.617 63.200 -0.150 0.000 0.874 547 S HN 0.147 nan 8.310 nan 0.000 0.451 548 V N 2.381 122.127 119.914 -0.280 0.000 2.358 548 V HA -0.084 4.046 4.120 0.015 0.000 0.246 548 V C 2.524 178.415 176.094 -0.339 0.000 1.047 548 V CA 1.813 63.862 62.300 -0.417 0.000 1.035 548 V CB -0.892 30.456 31.823 -0.791 0.000 0.658 548 V HN 0.505 nan 8.190 nan 0.000 0.452 549 I N 0.081 120.563 120.570 -0.148 0.000 2.236 549 I HA -0.343 3.836 4.170 0.015 0.000 0.249 549 I C 2.599 178.739 176.117 0.037 0.000 1.102 549 I CA 1.978 63.279 61.300 0.001 0.000 1.365 549 I CB -0.476 37.566 38.000 0.069 0.000 1.051 549 I HN 0.300 nan 8.210 nan 0.000 0.420 550 K N 1.006 121.405 120.400 -0.000 0.000 2.097 550 K HA -0.253 4.076 4.320 0.015 0.000 0.206 550 K C 2.105 178.739 176.600 0.057 0.000 1.049 550 K CA 1.759 58.060 56.287 0.023 0.000 0.933 550 K CB -0.034 32.464 32.500 -0.004 0.000 0.717 550 K HN 0.417 nan 8.250 nan 0.000 0.442 551 E N -0.662 119.569 120.200 0.052 0.000 2.046 551 E HA -0.172 4.187 4.350 0.015 0.000 0.190 551 E C 1.282 178.060 176.600 0.296 0.000 0.982 551 E CA 0.862 57.337 56.400 0.126 0.000 0.800 551 E CB -0.110 29.641 29.700 0.085 0.000 0.756 551 E HN 0.347 nan 8.360 nan 0.000 0.449 552 W N 0.408 121.743 121.300 0.058 0.000 2.937 552 W HA 0.261 4.930 4.660 0.015 0.000 0.245 552 W C 1.826 178.371 176.519 0.043 0.000 1.306 552 W CA 0.725 58.106 57.345 0.059 0.000 1.470 552 W CB -0.303 29.215 29.460 0.096 0.000 1.132 552 W HN 0.200 nan 8.180 nan 0.000 0.675 553 G N -1.088 107.863 108.800 0.252 0.000 3.088 553 G HA2 0.080 4.049 3.960 0.015 0.000 0.217 553 G HA3 0.080 4.049 3.960 0.015 0.000 0.217 553 G C 1.056 176.017 174.900 0.101 0.000 1.159 553 G CA 1.226 46.421 45.100 0.158 0.000 0.760 553 G HN 0.232 nan 8.290 nan 0.000 0.550 554 T N -4.660 109.953 114.554 0.099 0.000 3.172 554 T HA 0.292 4.651 4.350 0.015 0.000 0.261 554 T C 1.515 176.241 174.700 0.042 0.000 0.854 554 T CA 1.061 63.195 62.100 0.057 0.000 0.848 554 T CB 0.088 68.984 68.868 0.046 0.000 1.267 554 T HN 0.213 nan 8.240 nan 0.000 0.581 555 G N 2.368 111.205 108.800 0.061 0.000 2.608 555 G HA2 0.282 4.251 3.960 0.015 0.000 0.212 555 G HA3 0.282 4.251 3.960 0.015 0.000 0.212 555 G C 0.925 175.833 174.900 0.014 0.000 1.572 555 G CA -0.123 45.000 45.100 0.039 0.000 1.064 555 G HN 0.565 nan 8.290 nan 0.000 0.556 556 R N 0.115 120.620 120.500 0.007 0.000 2.276 556 R HA 0.121 4.470 4.340 0.015 0.000 0.196 556 R C -0.314 175.980 176.300 -0.010 0.000 0.961 556 R CA 0.637 56.735 56.100 -0.003 0.000 1.024 556 R CB -0.042 30.256 30.300 -0.004 0.000 0.940 556 R HN 0.476 nan 8.270 nan 0.000 0.480 557 D N 1.064 121.457 120.400 -0.011 0.000 2.485 557 D HA 0.055 4.704 4.640 0.015 0.000 0.229 557 D C -0.808 175.492 176.300 0.001 0.000 1.101 557 D CA -0.526 53.453 54.000 -0.036 0.000 0.906 557 D CB 1.337 42.079 40.800 -0.096 0.000 1.019 557 D HN -0.233 nan 8.370 nan 0.000 0.516 558 T N 3.887 118.444 114.554 0.005 0.000 3.281 558 T HA 0.263 4.623 4.350 0.015 0.000 0.359 558 T C 0.560 175.276 174.700 0.027 0.000 1.459 558 T CA -0.504 61.613 62.100 0.029 0.000 1.114 558 T CB -0.178 68.700 68.868 0.017 0.000 1.162 558 T HN 0.256 nan 8.240 nan 0.000 0.665 559 L N 1.587 122.840 121.223 0.049 0.000 2.399 559 L HA 0.549 4.898 4.340 0.015 0.000 0.265 559 L C 0.951 177.862 176.870 0.069 0.000 1.089 559 L CA -1.152 53.713 54.840 0.041 0.000 0.802 559 L CB 0.857 42.932 42.059 0.028 0.000 1.180 559 L HN 0.287 nan 8.230 nan 0.000 0.454 560 R N 1.105 121.635 120.500 0.049 0.000 2.220 560 R HA 0.333 4.682 4.340 0.015 0.000 0.340 560 R C -1.204 175.141 176.300 0.075 0.000 1.076 560 R CA -0.414 55.719 56.100 0.054 0.000 0.920 560 R CB 0.193 30.512 30.300 0.031 0.000 1.062 560 R HN 0.664 nan 8.270 nan 0.000 0.469 561 C N 4.500 123.860 119.300 0.100 0.000 2.365 561 C HA 0.626 5.096 4.460 0.015 0.000 0.349 561 C C -0.768 174.268 174.990 0.077 0.000 1.191 561 C CA -0.922 58.165 59.018 0.116 0.000 2.114 561 C CB 0.938 28.780 27.740 0.170 0.000 2.367 561 C HN 0.642 nan 8.230 nan 0.000 0.530 562 L N 1.899 123.155 121.223 0.055 0.000 2.464 562 L HA 0.699 5.048 4.340 0.015 0.000 0.266 562 L C -0.012 176.857 176.870 -0.001 0.000 0.965 562 L CA -0.265 54.594 54.840 0.033 0.000 0.833 562 L CB 1.433 43.502 42.059 0.016 0.000 1.296 562 L HN 0.916 nan 8.230 nan 0.000 0.405 563 A N 4.849 127.681 122.820 0.020 0.000 2.303 563 A HA 0.870 5.200 4.320 0.015 0.000 0.317 563 A C -1.154 176.396 177.584 -0.057 0.000 1.149 563 A CA -0.397 51.636 52.037 -0.006 0.000 0.822 563 A CB 0.624 19.690 19.000 0.111 0.000 1.131 563 A HN 0.633 nan 8.150 nan 0.000 0.493 564 L N 1.287 122.402 121.223 -0.181 0.000 2.356 564 L HA 0.764 5.113 4.340 0.015 0.000 0.277 564 L C 0.175 176.912 176.870 -0.221 0.000 0.996 564 L CA -0.245 54.494 54.840 -0.168 0.000 0.822 564 L CB 1.951 43.895 42.059 -0.191 0.000 1.256 564 L HN 0.854 nan 8.230 nan 0.000 0.413 565 A N 1.275 124.055 122.820 -0.067 0.000 2.566 565 A HA 0.893 5.222 4.320 0.015 0.000 0.292 565 A C -0.636 176.989 177.584 0.068 0.000 1.112 565 A CA -0.486 51.541 52.037 -0.017 0.000 0.707 565 A CB 2.190 21.225 19.000 0.058 0.000 1.302 565 A HN 0.588 nan 8.150 nan 0.000 0.409 566 T N -0.730 113.871 114.554 0.079 0.000 2.887 566 T HA 0.618 4.977 4.350 0.015 0.000 0.288 566 T C -0.519 174.168 174.700 -0.022 0.000 1.021 566 T CA -0.683 61.447 62.100 0.050 0.000 1.000 566 T CB 1.364 70.295 68.868 0.105 0.000 1.034 566 T HN 0.632 nan 8.240 nan 0.000 0.467 567 R N 2.546 122.980 120.500 -0.111 0.000 2.235 567 R HA 0.164 4.513 4.340 0.015 0.000 0.338 567 R C 0.261 176.459 176.300 -0.170 0.000 1.087 567 R CA -0.334 55.712 56.100 -0.090 0.000 0.948 567 R CB 0.293 30.549 30.300 -0.074 0.000 1.099 567 R HN 0.765 nan 8.270 nan 0.000 0.483 568 D N 1.168 121.491 120.400 -0.128 0.000 2.178 568 D HA -0.101 4.549 4.640 0.015 0.000 0.201 568 D C 0.341 176.553 176.300 -0.147 0.000 0.980 568 D CA 1.509 55.417 54.000 -0.153 0.000 0.842 568 D CB 0.405 41.115 40.800 -0.150 0.000 0.948 568 D HN 0.483 nan 8.370 nan 0.000 0.472 569 T N 0.443 114.933 114.554 -0.107 0.000 3.154 569 T HA 0.446 4.806 4.350 0.015 0.000 0.381 569 T C -2.767 171.903 174.700 -0.050 0.000 1.368 569 T CA -1.948 60.109 62.100 -0.073 0.000 1.155 569 T CB 1.609 70.454 68.868 -0.038 0.000 1.120 569 T HN -0.203 nan 8.240 nan 0.000 0.570 570 P HA 0.361 nan 4.420 nan 0.000 0.274 570 P C -2.203 175.143 177.300 0.076 0.000 1.237 570 P CA -1.284 61.797 63.100 -0.033 0.000 0.793 570 P CB -0.356 31.216 31.700 -0.213 0.000 0.977 571 P HA -0.042 nan 4.420 nan 0.000 0.274 571 P C -0.428 176.943 177.300 0.118 0.000 1.248 571 P CA 0.418 63.566 63.100 0.079 0.000 0.827 571 P CB 0.208 31.898 31.700 -0.016 0.000 0.972 572 K N 0.890 121.307 120.400 0.029 0.000 2.211 572 K HA 0.218 4.547 4.320 0.015 0.000 0.275 572 K C 1.299 177.844 176.600 -0.093 0.000 1.024 572 K CA -0.533 55.765 56.287 0.018 0.000 0.887 572 K CB 1.153 33.656 32.500 0.004 0.000 1.084 572 K HN 0.299 nan 8.250 nan 0.000 0.463 573 R N 1.975 122.389 120.500 -0.143 0.000 2.153 573 R HA -0.227 4.122 4.340 0.015 0.000 0.252 573 R C 0.570 176.693 176.300 -0.296 0.000 1.158 573 R CA 2.217 58.110 56.100 -0.345 0.000 0.975 573 R CB 0.196 30.322 30.300 -0.290 0.000 0.871 573 R HN 0.619 nan 8.270 nan 0.000 0.450 574 E N -0.569 119.525 120.200 -0.177 0.000 2.476 574 E HA -0.016 4.343 4.350 0.015 0.000 0.191 574 E C 0.583 177.112 176.600 -0.119 0.000 1.064 574 E CA 0.446 56.760 56.400 -0.145 0.000 0.866 574 E CB 0.240 29.884 29.700 -0.092 0.000 0.952 574 E HN 0.448 nan 8.360 nan 0.000 0.492 575 E N 0.129 120.251 120.200 -0.130 0.000 2.481 575 E HA 0.195 4.554 4.350 0.015 0.000 0.198 575 E C -0.129 176.395 176.600 -0.127 0.000 1.027 575 E CA -0.040 56.304 56.400 -0.093 0.000 0.900 575 E CB 0.245 29.907 29.700 -0.063 0.000 0.993 575 E HN 0.303 nan 8.360 nan 0.000 0.482 576 M N 1.658 121.118 119.600 -0.232 0.000 2.205 576 M HA 0.251 4.740 4.480 0.015 0.000 0.344 576 M C -0.611 175.635 176.300 -0.090 0.000 1.085 576 M CA -0.731 54.377 55.300 -0.319 0.000 1.001 576 M CB 2.159 34.406 32.600 -0.589 0.000 1.626 576 M HN -0.271 nan 8.290 nan 0.000 0.442 577 V N 5.354 125.374 119.914 0.178 0.000 2.353 577 V HA 0.179 4.308 4.120 0.015 0.000 0.264 577 V C 0.672 176.952 176.094 0.311 0.000 1.049 577 V CA -0.323 62.081 62.300 0.174 0.000 0.896 577 V CB -0.054 31.861 31.823 0.154 0.000 1.025 577 V HN 0.814 nan 8.190 nan 0.000 0.475 578 L N 2.361 123.694 121.223 0.184 0.000 2.805 578 L HA 0.324 4.673 4.340 0.015 0.000 0.237 578 L C 0.292 177.307 176.870 0.242 0.000 1.252 578 L CA 0.192 55.216 54.840 0.307 0.000 1.064 578 L CB -0.664 41.416 42.059 0.036 0.000 1.361 578 L HN 0.573 nan 8.230 nan 0.000 0.474 579 D N -1.204 119.277 120.400 0.135 0.000 2.454 579 D HA 0.012 4.661 4.640 0.015 0.000 0.214 579 D C 0.167 176.446 176.300 -0.035 0.000 1.088 579 D CA 0.171 54.202 54.000 0.051 0.000 0.855 579 D CB 0.686 41.498 40.800 0.019 0.000 1.025 579 D HN 0.061 nan 8.370 nan 0.000 0.502 580 D N -0.247 120.073 120.400 -0.132 0.000 2.389 580 D HA 0.099 4.748 4.640 0.015 0.000 0.256 580 D C 0.858 176.719 176.300 -0.731 0.000 1.239 580 D CA -0.352 53.476 54.000 -0.288 0.000 0.925 580 D CB 1.053 41.746 40.800 -0.178 0.000 1.145 580 D HN -0.102 nan 8.370 nan 0.000 0.542 581 S N 1.120 116.298 115.700 -0.870 0.000 2.493 581 S HA -0.190 4.289 4.470 0.015 0.000 0.243 581 S C 1.563 175.713 174.600 -0.749 0.000 0.991 581 S CA 1.118 58.544 58.200 -1.290 0.000 0.957 581 S CB -0.338 62.574 63.200 -0.481 0.000 0.756 581 S HN 0.340 nan 8.310 nan 0.000 0.521 582 S N 1.680 117.089 115.700 -0.485 0.000 2.489 582 S HA 0.113 4.593 4.470 0.015 0.000 0.228 582 S C 1.738 176.158 174.600 -0.300 0.000 0.995 582 S CA 0.095 58.118 58.200 -0.296 0.000 0.934 582 S CB -0.284 62.795 63.200 -0.202 0.000 0.771 582 S HN 0.583 nan 8.310 nan 0.000 0.522 583 R N 0.283 120.530 120.500 -0.421 0.000 2.161 583 R HA 0.255 4.605 4.340 0.015 0.000 0.213 583 R C 1.739 177.706 176.300 -0.555 0.000 1.055 583 R CA 0.879 56.716 56.100 -0.438 0.000 0.996 583 R CB -0.376 29.705 30.300 -0.364 0.000 0.901 583 R HN 0.463 nan 8.270 nan 0.000 0.456 584 F N 0.955 120.644 119.950 -0.435 0.000 2.126 584 F HA -0.279 4.257 4.527 0.015 0.000 0.299 584 F C 2.668 178.358 175.800 -0.184 0.000 1.096 584 F CA 0.616 58.446 58.000 -0.284 0.000 1.255 584 F CB -0.247 38.728 39.000 -0.043 0.000 0.997 584 F HN 0.038 nan 8.300 nan 0.000 0.479 585 M N 0.752 120.380 119.600 0.046 0.000 2.143 585 M HA -0.300 4.189 4.480 0.015 0.000 0.258 585 M C 1.985 178.290 176.300 0.008 0.000 1.071 585 M CA 2.070 57.381 55.300 0.018 0.000 1.088 585 M CB -0.154 32.434 32.600 -0.021 0.000 1.360 585 M HN 0.024 nan 8.290 nan 0.000 0.404 586 E N -0.556 119.600 120.200 -0.072 0.000 2.158 586 E HA -0.150 4.209 4.350 0.015 0.000 0.191 586 E C 1.441 178.125 176.600 0.141 0.000 0.982 586 E CA 1.495 57.889 56.400 -0.009 0.000 0.823 586 E CB -0.361 29.308 29.700 -0.051 0.000 0.766 586 E HN 0.675 nan 8.360 nan 0.000 0.468 587 Y N 0.965 121.344 120.300 0.131 0.000 2.293 587 Y HA 0.060 4.619 4.550 0.015 0.000 0.291 587 Y C 0.879 176.834 175.900 0.092 0.000 1.137 587 Y CA 0.830 59.005 58.100 0.125 0.000 1.202 587 Y CB -0.446 38.110 38.460 0.159 0.000 0.990 587 Y HN 0.120 nan 8.280 nan 0.000 0.537 588 E N 0.966 121.299 120.200 0.221 0.000 2.452 588 E HA 0.136 4.495 4.350 0.015 0.000 0.293 588 E C 0.039 176.705 176.600 0.109 0.000 1.535 588 E CA -0.113 56.370 56.400 0.138 0.000 1.816 588 E CB -0.228 29.539 29.700 0.112 0.000 1.494 588 E HN 0.273 nan 8.360 nan 0.000 0.464 589 T N -3.075 111.549 114.554 0.117 0.000 2.887 589 T HA 0.312 4.671 4.350 0.015 0.000 0.292 589 T C 0.038 174.803 174.700 0.108 0.000 1.087 589 T CA -0.921 61.237 62.100 0.098 0.000 1.009 589 T CB 1.590 70.511 68.868 0.089 0.000 1.203 589 T HN -0.006 nan 8.240 nan 0.000 0.518 590 D N -0.131 120.334 120.400 0.108 0.000 2.746 590 D HA -0.122 4.527 4.640 0.015 0.000 0.236 590 D C -0.551 175.875 176.300 0.210 0.000 1.129 590 D CA 0.502 54.599 54.000 0.161 0.000 0.691 590 D CB -1.548 39.352 40.800 0.166 0.000 1.077 590 D HN 0.662 nan 8.370 nan 0.000 0.432 591 L N -0.454 120.877 121.223 0.179 0.000 2.379 591 L HA 0.486 4.835 4.340 0.015 0.000 0.269 591 L C 1.065 178.089 176.870 0.257 0.000 1.084 591 L CA -0.589 54.353 54.840 0.170 0.000 0.802 591 L CB 1.480 43.616 42.059 0.129 0.000 1.175 591 L HN -0.112 nan 8.230 nan 0.000 0.448 592 T N 2.132 116.811 114.554 0.209 0.000 2.832 592 T HA 0.226 4.586 4.350 0.015 0.000 0.313 592 T C -0.242 174.582 174.700 0.206 0.000 1.035 592 T CA -0.308 61.937 62.100 0.241 0.000 0.950 592 T CB -0.130 68.819 68.868 0.135 0.000 0.984 592 T HN 0.276 nan 8.240 nan 0.000 0.486 593 F N 4.605 124.620 119.950 0.108 0.000 2.604 593 F HA 0.020 4.556 4.527 0.015 0.000 0.393 593 F C 0.815 176.663 175.800 0.080 0.000 1.043 593 F CA 0.426 58.475 58.000 0.082 0.000 1.227 593 F CB 0.457 39.502 39.000 0.075 0.000 1.016 593 F HN 0.329 nan 8.300 nan 0.000 0.556 594 V N 4.858 124.333 119.914 -0.732 0.000 2.806 594 V HA 0.497 4.626 4.120 0.015 0.000 0.239 594 V C 1.117 176.802 176.094 -0.683 0.000 1.113 594 V CA 0.828 62.843 62.300 -0.476 0.000 1.137 594 V CB -0.026 31.657 31.823 -0.234 0.000 0.865 594 V HN 1.120 nan 8.190 nan 0.000 0.482 595 G N -1.015 107.117 108.800 -1.114 0.000 2.340 595 G HA2 0.499 4.469 3.960 0.015 0.000 0.299 595 G HA3 0.499 4.469 3.960 0.015 0.000 0.299 595 G C -2.231 172.281 174.900 -0.647 0.000 1.291 595 G CA -0.075 44.620 45.100 -0.674 0.000 0.841 595 G HN -0.006 nan 8.290 nan 0.000 0.500 596 V N -0.462 119.065 119.914 -0.646 0.000 3.007 596 V HA 0.819 4.948 4.120 0.015 0.000 0.311 596 V C -0.483 175.458 176.094 -0.256 0.000 1.120 596 V CA -0.384 61.598 62.300 -0.530 0.000 0.980 596 V CB 2.071 33.362 31.823 -0.886 0.000 1.033 596 V HN 1.712 nan 8.190 nan 0.000 0.429 597 V N 0.737 120.614 119.914 -0.062 0.000 2.760 597 V HA 1.037 5.166 4.120 0.015 0.000 0.309 597 V C -0.129 176.038 176.094 0.121 0.000 1.077 597 V CA -0.192 62.139 62.300 0.052 0.000 0.910 597 V CB 1.684 33.496 31.823 -0.019 0.000 1.008 597 V HN 1.066 nan 8.190 nan 0.000 0.424 598 G N 4.346 113.224 108.800 0.129 0.000 2.415 598 G HA2 0.711 4.680 3.960 0.015 0.000 0.327 598 G HA3 0.711 4.680 3.960 0.015 0.000 0.327 598 G C -0.935 173.951 174.900 -0.023 0.000 1.182 598 G CA -0.876 44.267 45.100 0.073 0.000 0.924 598 G HN 0.791 nan 8.290 nan 0.000 0.470 599 M N 1.045 120.642 119.600 -0.006 0.000 2.535 599 M HA 0.620 5.109 4.480 0.015 0.000 0.314 599 M C -1.378 174.906 176.300 -0.028 0.000 1.153 599 M CA -0.825 54.464 55.300 -0.020 0.000 0.924 599 M CB 2.728 35.329 32.600 0.001 0.000 1.710 599 M HN 0.367 nan 8.290 nan 0.000 0.451 600 L N 1.603 122.801 121.223 -0.041 0.000 2.472 600 L HA 0.386 4.736 4.340 0.015 0.000 0.260 600 L C -1.297 175.539 176.870 -0.057 0.000 0.963 600 L CA -0.325 54.486 54.840 -0.049 0.000 0.829 600 L CB 2.076 44.094 42.059 -0.069 0.000 1.348 600 L HN 0.566 nan 8.230 nan 0.000 0.408 601 D N 5.819 126.186 120.400 -0.054 0.000 2.422 601 D HA 0.272 4.922 4.640 0.015 0.000 0.227 601 D C -2.432 173.819 176.300 -0.083 0.000 1.190 601 D CA -1.658 52.297 54.000 -0.074 0.000 0.905 601 D CB 0.746 41.513 40.800 -0.055 0.000 1.034 601 D HN 0.186 nan 8.370 nan 0.000 0.507 602 P HA 0.330 nan 4.420 nan 0.000 0.281 602 P C -2.800 174.441 177.300 -0.098 0.000 1.249 602 P CA -1.850 61.194 63.100 -0.093 0.000 0.810 602 P CB 0.636 32.279 31.700 -0.095 0.000 1.008 603 P HA 0.098 nan 4.420 nan 0.000 0.268 603 P C 0.056 177.295 177.300 -0.103 0.000 1.205 603 P CA 0.148 63.180 63.100 -0.113 0.000 0.771 603 P CB 0.261 31.893 31.700 -0.113 0.000 0.858 604 R N 2.990 123.423 120.500 -0.111 0.000 2.585 604 R HA -0.020 4.329 4.340 0.015 0.000 0.275 604 R C 1.810 178.071 176.300 -0.065 0.000 1.018 604 R CA -0.195 55.858 56.100 -0.079 0.000 1.072 604 R CB 0.046 30.308 30.300 -0.064 0.000 0.953 604 R HN 0.574 nan 8.270 nan 0.000 0.419 605 K N 2.307 122.683 120.400 -0.039 0.000 2.107 605 K HA -0.244 4.086 4.320 0.015 0.000 0.211 605 K C 1.062 177.649 176.600 -0.022 0.000 1.049 605 K CA 2.041 58.311 56.287 -0.029 0.000 0.927 605 K CB -0.041 32.450 32.500 -0.015 0.000 0.714 605 K HN 0.734 nan 8.250 nan 0.000 0.452 606 E N 1.448 121.645 120.200 -0.004 0.000 2.481 606 E HA 0.025 4.385 4.350 0.015 0.000 0.198 606 E C 1.715 178.339 176.600 0.040 0.000 1.027 606 E CA 0.061 56.476 56.400 0.025 0.000 0.900 606 E CB 0.115 29.848 29.700 0.054 0.000 0.993 606 E HN 0.190 nan 8.360 nan 0.000 0.482 607 V N 1.582 121.471 119.914 -0.041 0.000 2.358 607 V HA -0.228 3.901 4.120 0.015 0.000 0.246 607 V C 2.648 178.694 176.094 -0.080 0.000 1.047 607 V CA 2.054 64.264 62.300 -0.149 0.000 1.035 607 V CB -0.586 30.991 31.823 -0.410 0.000 0.658 607 V HN 0.294 nan 8.190 nan 0.000 0.452 608 M N 0.299 119.856 119.600 -0.071 0.000 2.073 608 M HA -0.171 4.319 4.480 0.015 0.000 0.258 608 M C 2.056 178.350 176.300 -0.011 0.000 1.070 608 M CA 2.521 57.792 55.300 -0.048 0.000 1.103 608 M CB -0.662 31.912 32.600 -0.044 0.000 1.321 608 M HN 0.420 nan 8.290 nan 0.000 0.405 609 G N -1.155 107.648 108.800 0.006 0.000 2.408 609 G HA2 -0.171 3.798 3.960 0.015 0.000 0.217 609 G HA3 -0.171 3.798 3.960 0.015 0.000 0.217 609 G C 1.416 176.341 174.900 0.042 0.000 1.150 609 G CA 1.015 46.127 45.100 0.019 0.000 0.776 609 G HN 0.527 nan 8.290 nan 0.000 0.542 610 S N 0.464 116.214 115.700 0.085 0.000 2.382 610 S HA -0.057 4.422 4.470 0.015 0.000 0.228 610 S C 2.277 176.946 174.600 0.115 0.000 1.027 610 S CA 0.770 59.046 58.200 0.127 0.000 0.991 610 S CB -0.143 63.228 63.200 0.285 0.000 0.823 610 S HN 0.334 nan 8.310 nan 0.000 0.469 611 I N 1.328 121.959 120.570 0.101 0.000 2.202 611 I HA -0.147 4.032 4.170 0.015 0.000 0.242 611 I C 2.704 178.834 176.117 0.023 0.000 1.091 611 I CA 1.255 62.590 61.300 0.058 0.000 1.368 611 I CB -1.141 36.860 38.000 0.002 0.000 1.058 611 I HN 0.305 nan 8.210 nan 0.000 0.410 612 Q N 1.546 121.353 119.800 0.012 0.000 2.061 612 Q HA -0.191 4.158 4.340 0.015 0.000 0.204 612 Q C 2.084 178.087 176.000 0.005 0.000 0.984 612 Q CA 1.900 57.705 55.803 0.003 0.000 0.846 612 Q CB -0.505 28.234 28.738 0.000 0.000 0.902 612 Q HN 0.335 nan 8.270 nan 0.000 0.421 613 L N -0.566 120.664 121.223 0.012 0.000 2.017 613 L HA -0.184 4.166 4.340 0.015 0.000 0.208 613 L C 2.615 179.487 176.870 0.002 0.000 1.073 613 L CA 1.420 56.264 54.840 0.006 0.000 0.745 613 L CB -1.237 40.828 42.059 0.009 0.000 0.894 613 L HN 0.315 nan 8.230 nan 0.000 0.432 614 C N -0.945 118.361 119.300 0.010 0.000 2.396 614 C HA -0.232 4.237 4.460 0.015 0.000 0.277 614 C C 3.038 178.026 174.990 -0.004 0.000 1.231 614 C CA 1.053 60.072 59.018 0.003 0.000 1.775 614 C CB -0.922 26.829 27.740 0.019 0.000 2.036 614 C HN 0.479 nan 8.230 nan 0.000 0.484 615 R N 0.663 121.161 120.500 -0.003 0.000 2.066 615 R HA -0.117 4.232 4.340 0.015 0.000 0.232 615 R C 1.779 178.074 176.300 -0.009 0.000 1.131 615 R CA 1.904 57.998 56.100 -0.009 0.000 0.955 615 R CB -0.327 29.967 30.300 -0.010 0.000 0.851 615 R HN 0.490 nan 8.270 nan 0.000 0.432 616 D N 0.401 120.796 120.400 -0.008 0.000 2.104 616 D HA -0.162 4.487 4.640 0.015 0.000 0.194 616 D C 1.427 177.721 176.300 -0.011 0.000 0.994 616 D CA 1.635 55.630 54.000 -0.008 0.000 0.830 616 D CB -0.284 40.512 40.800 -0.006 0.000 0.959 616 D HN 0.358 nan 8.370 nan 0.000 0.452 617 A N -0.131 122.681 122.820 -0.013 0.000 2.255 617 A HA 0.353 4.682 4.320 0.015 0.000 0.206 617 A C 1.631 179.203 177.584 -0.020 0.000 1.193 617 A CA 1.009 53.036 52.037 -0.017 0.000 0.794 617 A CB -0.637 18.351 19.000 -0.020 0.000 0.794 617 A HN 0.282 nan 8.150 nan 0.000 0.481 618 G N -0.480 108.310 108.800 -0.017 0.000 2.221 618 G HA2 -0.221 3.748 3.960 0.015 0.000 0.265 618 G HA3 -0.221 3.748 3.960 0.015 0.000 0.265 618 G C -0.071 174.817 174.900 -0.020 0.000 1.041 618 G CA 0.463 45.552 45.100 -0.018 0.000 0.807 618 G HN 0.592 nan 8.290 nan 0.000 0.502 619 I N -0.836 119.723 120.570 -0.018 0.000 2.441 619 I HA 0.537 4.716 4.170 0.015 0.000 0.295 619 I C 0.540 176.651 176.117 -0.010 0.000 0.994 619 I CA -1.032 60.258 61.300 -0.016 0.000 1.144 619 I CB 1.938 39.928 38.000 -0.017 0.000 1.314 619 I HN 0.106 nan 8.210 nan 0.000 0.445 620 R N 4.560 125.055 120.500 -0.008 0.000 2.338 620 R HA 0.632 4.981 4.340 0.015 0.000 0.317 620 R C -1.336 174.964 176.300 0.001 0.000 0.968 620 R CA -0.507 55.588 56.100 -0.008 0.000 0.849 620 R CB 1.701 31.996 30.300 -0.008 0.000 1.128 620 R HN 0.509 nan 8.270 nan 0.000 0.448 621 V N 6.215 126.125 119.914 -0.006 0.000 2.481 621 V HA 0.460 4.589 4.120 0.015 0.000 0.286 621 V C 0.237 176.320 176.094 -0.018 0.000 1.042 621 V CA -0.570 61.734 62.300 0.006 0.000 0.928 621 V CB 1.569 33.399 31.823 0.012 0.000 0.986 621 V HN 0.685 nan 8.190 nan 0.000 0.462 622 I N 4.474 125.052 120.570 0.014 0.000 2.533 622 I HA 0.421 4.600 4.170 0.015 0.000 0.290 622 I C -0.362 175.781 176.117 0.044 0.000 1.056 622 I CA -0.385 60.937 61.300 0.038 0.000 1.057 622 I CB 2.031 40.102 38.000 0.119 0.000 1.240 622 I HN 0.560 nan 8.210 nan 0.000 0.423 623 M N 7.370 126.984 119.600 0.023 0.000 2.188 623 M HA 0.544 5.034 4.480 0.015 0.000 0.357 623 M C -1.376 174.996 176.300 0.121 0.000 1.204 623 M CA -0.177 55.142 55.300 0.032 0.000 1.095 623 M CB 0.838 33.420 32.600 -0.029 0.000 1.604 623 M HN 0.484 nan 8.290 nan 0.000 0.464 624 I N 4.203 124.827 120.570 0.091 0.000 2.521 624 I HA 0.244 4.424 4.170 0.015 0.000 0.277 624 I C -0.555 175.590 176.117 0.047 0.000 1.054 624 I CA -0.344 61.017 61.300 0.102 0.000 1.117 624 I CB 1.912 39.931 38.000 0.030 0.000 1.217 624 I HN 0.575 nan 8.210 nan 0.000 0.469 625 T N 2.829 117.412 114.554 0.047 0.000 2.863 625 T HA 0.480 4.839 4.350 0.015 0.000 0.285 625 T C 0.983 175.688 174.700 0.009 0.000 1.009 625 T CA -0.316 61.794 62.100 0.018 0.000 0.989 625 T CB 1.722 70.596 68.868 0.011 0.000 1.004 625 T HN 0.685 nan 8.240 nan 0.000 0.455 626 G N 2.426 111.225 108.800 -0.001 0.000 2.920 626 G HA2 0.119 4.088 3.960 0.015 0.000 0.208 626 G HA3 0.119 4.088 3.960 0.015 0.000 0.208 626 G C 0.415 175.312 174.900 -0.004 0.000 1.159 626 G CA -0.060 45.036 45.100 -0.007 0.000 0.784 626 G HN 0.686 nan 8.290 nan 0.000 0.535 627 D N -0.112 120.287 120.400 -0.001 0.000 2.451 627 D HA 0.187 4.836 4.640 0.015 0.000 0.259 627 D C 0.174 176.477 176.300 0.005 0.000 1.201 627 D CA -0.734 53.268 54.000 0.002 0.000 1.028 627 D CB 0.589 41.388 40.800 -0.001 0.000 1.095 627 D HN -0.138 nan 8.370 nan 0.000 0.539 628 N N 0.528 119.232 118.700 0.008 0.000 2.513 628 N HA 0.068 4.817 4.740 0.015 0.000 0.274 628 N C 0.646 176.160 175.510 0.006 0.000 1.189 628 N CA -0.250 52.806 53.050 0.010 0.000 0.975 628 N CB 1.019 39.515 38.487 0.014 0.000 1.157 628 N HN 0.387 nan 8.380 nan 0.000 0.465 629 K N 0.912 121.314 120.400 0.003 0.000 2.057 629 K HA -0.084 4.245 4.320 0.015 0.000 0.207 629 K C 1.667 178.260 176.600 -0.012 0.000 1.049 629 K CA 1.350 57.632 56.287 -0.008 0.000 0.931 629 K CB -0.389 32.099 32.500 -0.020 0.000 0.714 629 K HN 0.681 nan 8.250 nan 0.000 0.440 630 G N 0.088 108.883 108.800 -0.009 0.000 2.446 630 G HA2 -0.242 3.727 3.960 0.015 0.000 0.217 630 G HA3 -0.242 3.727 3.960 0.015 0.000 0.217 630 G C 1.414 176.314 174.900 0.001 0.000 1.168 630 G CA 1.432 46.527 45.100 -0.008 0.000 0.771 630 G HN 0.323 nan 8.290 nan 0.000 0.551 631 T N 1.713 116.270 114.554 0.004 0.000 2.737 631 T HA 0.037 4.397 4.350 0.015 0.000 0.265 631 T C 2.848 177.550 174.700 0.004 0.000 1.038 631 T CA 1.578 63.680 62.100 0.002 0.000 1.144 631 T CB -0.508 68.360 68.868 -0.000 0.000 0.866 631 T HN 0.382 nan 8.240 nan 0.000 0.434 632 A N 1.385 124.210 122.820 0.008 0.000 1.884 632 A HA -0.138 4.192 4.320 0.015 0.000 0.219 632 A C 2.299 179.913 177.584 0.049 0.000 1.197 632 A CA 1.731 53.778 52.037 0.017 0.000 0.637 632 A CB -1.021 17.990 19.000 0.019 0.000 0.827 632 A HN 0.523 nan 8.150 nan 0.000 0.450 633 I N -0.411 120.199 120.570 0.067 0.000 2.208 633 I HA -0.291 3.888 4.170 0.015 0.000 0.245 633 I C 2.858 179.048 176.117 0.122 0.000 1.097 633 I CA 1.195 62.577 61.300 0.136 0.000 1.363 633 I CB -0.212 37.794 38.000 0.011 0.000 1.051 633 I HN 0.372 nan 8.210 nan 0.000 0.413 634 A N 0.485 123.333 122.820 0.047 0.000 2.016 634 A HA -0.071 4.259 4.320 0.015 0.000 0.217 634 A C 2.220 179.812 177.584 0.014 0.000 1.162 634 A CA 0.882 52.935 52.037 0.026 0.000 0.662 634 A CB -0.394 18.608 19.000 0.004 0.000 0.812 634 A HN 0.273 nan 8.150 nan 0.000 0.450 635 I N -0.079 120.492 120.570 0.002 0.000 2.163 635 I HA -0.242 3.937 4.170 0.015 0.000 0.240 635 I C 2.587 178.687 176.117 -0.030 0.000 1.081 635 I CA 1.004 62.287 61.300 -0.028 0.000 1.353 635 I CB -1.719 36.252 38.000 -0.047 0.000 1.054 635 I HN 0.351 nan 8.210 nan 0.000 0.407 636 c N 1.105 119.702 118.600 -0.005 0.000 2.385 636 c HA -0.207 4.373 4.570 0.015 0.000 0.275 636 c C 2.891 176.982 174.090 0.001 0.000 1.207 636 c CA 0.876 57.172 56.329 -0.055 0.000 1.760 636 c CB -1.287 41.166 42.510 -0.095 0.000 2.051 636 c HN 0.457 nan 8.230 nan 0.000 0.467 637 R N 0.104 120.675 120.500 0.118 0.000 2.200 637 R HA -0.113 4.237 4.340 0.015 0.000 0.234 637 R C 2.239 178.550 176.300 0.019 0.000 1.127 637 R CA 1.064 57.221 56.100 0.095 0.000 0.989 637 R CB -0.310 30.040 30.300 0.083 0.000 0.869 637 R HN 0.624 nan 8.270 nan 0.000 0.459 638 R N 0.570 121.063 120.500 -0.011 0.000 2.156 638 R HA 0.103 4.452 4.340 0.015 0.000 0.207 638 R C 2.102 178.371 176.300 -0.052 0.000 1.040 638 R CA 0.653 56.733 56.100 -0.033 0.000 1.013 638 R CB 0.209 30.482 30.300 -0.045 0.000 0.931 638 R HN 0.289 nan 8.270 nan 0.000 0.465 639 I N -3.869 116.658 120.570 -0.071 0.000 3.883 639 I HA 0.406 4.585 4.170 0.015 0.000 0.326 639 I C 0.810 176.876 176.117 -0.086 0.000 1.283 639 I CA 0.529 61.773 61.300 -0.094 0.000 1.161 639 I CB 0.899 38.815 38.000 -0.140 0.000 1.012 639 I HN 0.175 nan 8.210 nan 0.000 0.421 640 G N 1.968 110.725 108.800 -0.072 0.000 2.175 640 G HA2 -0.266 3.703 3.960 0.015 0.000 0.244 640 G HA3 -0.266 3.703 3.960 0.015 0.000 0.244 640 G C 0.708 175.549 174.900 -0.098 0.000 0.982 640 G CA 0.383 45.448 45.100 -0.058 0.000 0.641 640 G HN 0.466 nan 8.290 nan 0.000 0.527 641 I N -0.496 119.963 120.570 -0.185 0.000 2.264 641 I HA 0.050 4.229 4.170 0.015 0.000 0.248 641 I C 1.379 177.216 176.117 -0.467 0.000 1.111 641 I CA 1.237 62.326 61.300 -0.353 0.000 1.382 641 I CB -0.173 37.523 38.000 -0.506 0.000 1.060 641 I HN 0.227 nan 8.210 nan 0.000 0.418 642 F N -0.422 119.502 119.950 -0.044 0.000 2.541 642 F HA 0.550 5.086 4.527 0.016 0.000 0.331 642 F C 0.956 176.733 175.800 -0.039 0.000 1.057 642 F CA -1.131 56.841 58.000 -0.046 0.000 0.975 642 F CB 1.022 39.989 39.000 -0.056 0.000 1.246 642 F HN -0.234 nan 8.300 nan 0.000 0.484 643 G N 0.293 109.211 108.800 0.196 0.000 2.476 643 G HA2 0.212 4.182 3.960 0.015 0.000 0.269 643 G HA3 0.212 4.182 3.960 0.015 0.000 0.269 643 G C 0.190 175.128 174.900 0.063 0.000 1.195 643 G CA -0.353 44.799 45.100 0.087 0.000 0.843 643 G HN 0.843 nan 8.290 nan 0.000 0.545 644 E N 0.236 120.455 120.200 0.032 0.000 2.338 644 E HA -0.078 4.281 4.350 0.015 0.000 0.197 644 E C 0.960 177.562 176.600 0.003 0.000 1.007 644 E CA 0.759 57.169 56.400 0.017 0.000 0.849 644 E CB 0.203 29.906 29.700 0.007 0.000 0.774 644 E HN 0.503 nan 8.360 nan 0.000 0.506 645 N N 0.452 119.151 118.700 -0.002 0.000 2.194 645 N HA 0.013 4.762 4.740 0.015 0.000 0.231 645 N C -0.439 175.052 175.510 -0.031 0.000 1.247 645 N CA -0.021 53.019 53.050 -0.018 0.000 0.884 645 N CB 0.788 39.267 38.487 -0.013 0.000 1.146 645 N HN 0.113 nan 8.380 nan 0.000 0.516 646 E N 2.124 122.308 120.200 -0.026 0.000 2.392 646 E HA -0.034 4.325 4.350 0.015 0.000 0.264 646 E C -0.259 176.270 176.600 -0.118 0.000 1.024 646 E CA -0.078 56.293 56.400 -0.048 0.000 0.903 646 E CB 0.686 30.384 29.700 -0.004 0.000 0.963 646 E HN 0.213 nan 8.360 nan 0.000 0.432 647 E N 3.018 123.144 120.200 -0.123 0.000 2.130 647 E HA 0.114 4.473 4.350 0.015 0.000 0.284 647 E C -0.319 176.139 176.600 -0.237 0.000 1.018 647 E CA -0.469 55.833 56.400 -0.163 0.000 0.817 647 E CB 1.357 30.990 29.700 -0.112 0.000 1.078 647 E HN 0.264 nan 8.360 nan 0.000 0.396 648 V N 3.401 123.093 119.914 -0.369 0.000 3.541 648 V HA 0.147 4.276 4.120 0.015 0.000 0.267 648 V C 1.058 176.912 176.094 -0.400 0.000 1.213 648 V CA 0.468 62.429 62.300 -0.565 0.000 1.149 648 V CB -0.954 30.273 31.823 -0.993 0.000 0.822 648 V HN 0.849 nan 8.190 nan 0.000 0.462 649 A N 1.225 123.873 122.820 -0.286 0.000 2.598 649 A HA 0.100 4.429 4.320 0.015 0.000 0.239 649 A C 1.197 178.635 177.584 -0.243 0.000 1.032 649 A CA 1.196 53.084 52.037 -0.249 0.000 0.760 649 A CB -0.493 18.407 19.000 -0.166 0.000 0.946 649 A HN 0.751 nan 8.150 nan 0.000 0.512 650 D N -0.090 120.107 120.400 -0.339 0.000 2.505 650 D HA -0.164 4.485 4.640 0.015 0.000 0.175 650 D C 0.811 176.996 176.300 -0.191 0.000 0.932 650 D CA 1.973 55.832 54.000 -0.235 0.000 1.006 650 D CB -1.022 39.735 40.800 -0.071 0.000 1.060 650 D HN 0.712 nan 8.370 nan 0.000 0.471 651 R N -0.252 120.103 120.500 -0.241 0.000 2.472 651 R HA 0.701 5.051 4.340 0.015 0.000 0.279 651 R C -0.176 176.043 176.300 -0.135 0.000 0.953 651 R CA 0.593 56.650 56.100 -0.072 0.000 1.088 651 R CB 1.460 31.816 30.300 0.092 0.000 1.197 651 R HN 0.148 nan 8.270 nan 0.000 0.536 652 A N 0.336 122.883 122.820 -0.455 0.000 2.488 652 A HA 0.629 4.958 4.320 0.015 0.000 0.295 652 A C -1.694 175.480 177.584 -0.684 0.000 1.045 652 A CA -0.562 51.217 52.037 -0.430 0.000 0.703 652 A CB 0.901 19.766 19.000 -0.226 0.000 1.271 652 A HN 0.130 nan 8.150 nan 0.000 0.400 653 Y N 0.120 120.242 120.300 -0.296 0.000 2.602 653 Y HA 0.697 5.257 4.550 0.015 0.000 0.342 653 Y C 1.101 176.987 175.900 -0.024 0.000 1.029 653 Y CA -0.081 57.967 58.100 -0.086 0.000 1.080 653 Y CB 2.302 40.799 38.460 0.062 0.000 1.284 653 Y HN 0.820 nan 8.280 nan 0.000 0.485 654 T N -2.606 112.074 114.554 0.210 0.000 2.897 654 T HA 0.422 4.781 4.350 0.015 0.000 0.278 654 T C 1.245 176.021 174.700 0.127 0.000 0.981 654 T CA -0.159 62.012 62.100 0.119 0.000 0.973 654 T CB 1.267 70.177 68.868 0.070 0.000 1.092 654 T HN 0.798 nan 8.240 nan 0.000 0.543 655 G N 0.342 109.097 108.800 -0.075 0.000 2.421 655 G HA2 -0.211 3.759 3.960 0.015 0.000 0.216 655 G HA3 -0.211 3.759 3.960 0.015 0.000 0.216 655 G C 1.624 176.561 174.900 0.061 0.000 1.171 655 G CA 0.774 45.653 45.100 -0.370 0.000 0.775 655 G HN 0.731 nan 8.290 nan 0.000 0.543 656 R N 0.801 121.354 120.500 0.088 0.000 2.112 656 R HA -0.109 4.240 4.340 0.015 0.000 0.242 656 R C 2.555 178.964 176.300 0.181 0.000 1.137 656 R CA 2.195 58.383 56.100 0.146 0.000 0.944 656 R CB -0.607 29.757 30.300 0.107 0.000 0.857 656 R HN 0.542 nan 8.270 nan 0.000 0.435 657 E N -1.102 119.223 120.200 0.209 0.000 2.110 657 E HA -0.216 4.143 4.350 0.015 0.000 0.193 657 E C 1.899 178.658 176.600 0.265 0.000 0.988 657 E CA 1.313 57.862 56.400 0.248 0.000 0.804 657 E CB -0.292 29.607 29.700 0.331 0.000 0.745 657 E HN 0.380 nan 8.360 nan 0.000 0.458 658 F N 2.132 122.152 119.950 0.118 0.000 2.126 658 F HA -0.243 4.293 4.527 0.015 0.000 0.299 658 F C 1.762 177.585 175.800 0.038 0.000 1.096 658 F CA 1.388 59.394 58.000 0.010 0.000 1.255 658 F CB 0.159 39.230 39.000 0.119 0.000 0.997 658 F HN -0.088 nan 8.300 nan 0.000 0.479 659 D N 0.323 120.784 120.400 0.102 0.000 2.178 659 D HA -0.158 4.491 4.640 0.015 0.000 0.201 659 D C 1.672 177.942 176.300 -0.050 0.000 0.980 659 D CA 1.249 55.250 54.000 0.001 0.000 0.842 659 D CB -0.471 40.414 40.800 0.142 0.000 0.948 659 D HN 0.384 nan 8.370 nan 0.000 0.472 660 D N 0.022 120.420 120.400 -0.003 0.000 2.312 660 D HA -0.010 4.639 4.640 0.015 0.000 0.211 660 D C 0.763 177.035 176.300 -0.046 0.000 0.964 660 D CA 0.104 54.101 54.000 -0.004 0.000 0.877 660 D CB 0.186 41.010 40.800 0.040 0.000 0.924 660 D HN 0.250 nan 8.370 nan 0.000 0.515 661 L N 2.920 124.077 121.223 -0.110 0.000 2.453 661 L HA 0.135 4.484 4.340 0.015 0.000 0.272 661 L C -1.811 174.968 176.870 -0.151 0.000 1.182 661 L CA -1.532 53.224 54.840 -0.140 0.000 0.858 661 L CB -0.073 41.849 42.059 -0.229 0.000 1.120 661 L HN -0.171 nan 8.230 nan 0.000 0.474 662 P HA -0.050 nan 4.420 nan 0.000 0.269 662 P C 0.679 177.905 177.300 -0.122 0.000 1.217 662 P CA -0.352 62.697 63.100 -0.086 0.000 0.783 662 P CB 0.767 32.434 31.700 -0.056 0.000 0.898 663 L N 1.779 122.949 121.223 -0.089 0.000 2.129 663 L HA -0.225 4.124 4.340 0.015 0.000 0.212 663 L C 2.649 179.451 176.870 -0.112 0.000 1.087 663 L CA 2.542 57.334 54.840 -0.078 0.000 0.757 663 L CB -1.615 40.440 42.059 -0.006 0.000 0.896 663 L HN 0.455 nan 8.230 nan 0.000 0.434 664 A N -1.036 121.732 122.820 -0.087 0.000 1.898 664 A HA -0.192 4.137 4.320 0.015 0.000 0.216 664 A C 2.290 179.804 177.584 -0.117 0.000 1.181 664 A CA 1.478 53.468 52.037 -0.080 0.000 0.620 664 A CB -0.439 18.537 19.000 -0.040 0.000 0.819 664 A HN 0.425 nan 8.150 nan 0.000 0.442 665 E N -0.537 119.591 120.200 -0.119 0.000 2.268 665 E HA -0.154 4.205 4.350 0.015 0.000 0.195 665 E C 2.220 178.713 176.600 -0.178 0.000 0.995 665 E CA 0.840 57.176 56.400 -0.106 0.000 0.836 665 E CB -0.045 29.609 29.700 -0.076 0.000 0.763 665 E HN 0.719 nan 8.360 nan 0.000 0.491 666 Q N -0.054 119.554 119.800 -0.320 0.000 2.020 666 Q HA -0.135 4.214 4.340 0.015 0.000 0.198 666 Q C 2.251 177.942 176.000 -0.515 0.000 0.974 666 Q CA 1.040 56.548 55.803 -0.492 0.000 0.829 666 Q CB -0.112 28.164 28.738 -0.769 0.000 0.894 666 Q HN 0.106 nan 8.270 nan 0.000 0.433 667 R N 0.835 120.859 120.500 -0.794 0.000 2.091 667 R HA -0.216 4.133 4.340 0.015 0.000 0.238 667 R C 1.876 178.152 176.300 -0.040 0.000 1.136 667 R CA 1.610 57.329 56.100 -0.635 0.000 0.959 667 R CB 0.016 30.086 30.300 -0.384 0.000 0.856 667 R HN 0.078 nan 8.270 nan 0.000 0.437 668 E N 0.061 120.257 120.200 -0.007 0.000 2.204 668 E HA -0.069 4.290 4.350 0.015 0.000 0.194 668 E C 1.576 178.226 176.600 0.083 0.000 0.989 668 E CA 1.337 57.785 56.400 0.081 0.000 0.824 668 E CB -0.061 29.671 29.700 0.053 0.000 0.756 668 E HN 0.483 nan 8.360 nan 0.000 0.477 669 A N -0.513 122.352 122.820 0.075 0.000 1.968 669 A HA -0.141 4.188 4.320 0.015 0.000 0.217 669 A C 2.350 180.126 177.584 0.320 0.000 1.169 669 A CA 1.192 53.334 52.037 0.174 0.000 0.638 669 A CB -0.695 18.346 19.000 0.069 0.000 0.812 669 A HN 0.455 nan 8.150 nan 0.000 0.446 670 C N -0.655 118.809 119.300 0.274 0.000 2.432 670 C HA -0.015 4.454 4.460 0.015 0.000 0.280 670 C C 2.725 177.825 174.990 0.183 0.000 1.353 670 C CA 0.600 59.780 59.018 0.269 0.000 1.766 670 C CB -1.274 26.586 27.740 0.200 0.000 1.924 670 C HN 0.534 nan 8.230 nan 0.000 0.509 671 R N 1.234 121.791 120.500 0.095 0.000 2.090 671 R HA -0.080 4.269 4.340 0.015 0.000 0.228 671 R C 2.412 178.726 176.300 0.023 0.000 1.110 671 R CA 1.435 57.512 56.100 -0.038 0.000 0.973 671 R CB -0.254 29.926 30.300 -0.200 0.000 0.869 671 R HN 0.704 nan 8.270 nan 0.000 0.440 672 R N 0.037 120.588 120.500 0.084 0.000 2.146 672 R HA 0.277 4.627 4.340 0.015 0.000 0.206 672 R C 0.848 177.221 176.300 0.122 0.000 1.049 672 R CA 0.484 56.637 56.100 0.088 0.000 1.029 672 R CB -0.118 30.233 30.300 0.085 0.000 0.949 672 R HN -0.066 nan 8.270 nan 0.000 0.471 673 A N 0.496 123.427 122.820 0.185 0.000 2.445 673 A HA 0.262 4.591 4.320 0.015 0.000 0.242 673 A C 0.605 178.228 177.584 0.065 0.000 1.075 673 A CA -0.291 51.814 52.037 0.113 0.000 0.777 673 A CB 0.375 19.421 19.000 0.076 0.000 1.013 673 A HN 0.571 nan 8.150 nan 0.000 0.493 674 C N -0.003 119.276 119.300 -0.035 0.000 2.735 674 C HA 0.217 4.686 4.460 0.015 0.000 0.444 674 C C 0.669 175.581 174.990 -0.131 0.000 1.331 674 C CA -0.342 58.618 59.018 -0.097 0.000 2.225 674 C CB -0.800 26.756 27.740 -0.307 0.000 2.917 674 C HN 0.772 nan 8.230 nan 0.000 0.567 675 c N 2.136 120.664 118.600 -0.121 0.000 2.295 675 c HA 0.656 5.235 4.570 0.015 0.000 0.331 675 c C -0.628 173.244 174.090 -0.363 0.000 1.280 675 c CA -0.305 55.974 56.329 -0.085 0.000 1.746 675 c CB -1.369 41.182 42.510 0.069 0.000 2.328 675 c HN 0.432 nan 8.230 nan 0.000 0.521 676 F N 2.508 122.463 119.950 0.008 0.000 2.411 676 F HA 0.618 5.155 4.527 0.016 0.000 0.352 676 F C 0.586 176.359 175.800 -0.046 0.000 1.123 676 F CA -0.122 57.858 58.000 -0.034 0.000 1.044 676 F CB 0.959 39.876 39.000 -0.140 0.000 1.135 676 F HN 0.699 nan 8.300 nan 0.000 0.461 677 A N 2.886 125.756 122.820 0.084 0.000 2.384 677 A HA 0.753 5.082 4.320 0.015 0.000 0.312 677 A C 0.516 178.102 177.584 0.003 0.000 1.113 677 A CA -1.126 50.930 52.037 0.032 0.000 0.779 677 A CB 1.053 20.061 19.000 0.013 0.000 1.307 677 A HN 0.881 nan 8.150 nan 0.000 0.436 678 R N -0.710 119.786 120.500 -0.006 0.000 3.322 678 R HA -0.151 4.198 4.340 0.015 0.000 0.253 678 R C -0.180 176.079 176.300 -0.068 0.000 0.987 678 R CA 0.631 56.720 56.100 -0.018 0.000 0.666 678 R CB -2.144 28.155 30.300 -0.001 0.000 1.072 678 R HN 1.555 nan 8.270 nan 0.000 0.447 679 V N -2.180 117.682 119.914 -0.086 0.000 2.997 679 V HA 0.558 4.687 4.120 0.015 0.000 0.311 679 V C 0.567 176.691 176.094 0.050 0.000 1.066 679 V CA -0.539 61.660 62.300 -0.168 0.000 1.039 679 V CB 1.804 33.549 31.823 -0.130 0.000 1.081 679 V HN 0.303 nan 8.190 nan 0.000 0.467 680 E N 2.411 122.856 120.200 0.408 0.000 2.232 680 E HA 0.382 4.741 4.350 0.015 0.000 0.264 680 E C -2.055 174.624 176.600 0.132 0.000 0.973 680 E CA -2.008 54.532 56.400 0.232 0.000 0.849 680 E CB 1.760 31.568 29.700 0.180 0.000 1.198 680 E HN 0.498 nan 8.360 nan 0.000 0.407 681 P HA -0.141 nan 4.420 nan 0.000 0.218 681 P C 0.679 177.956 177.300 -0.039 0.000 1.146 681 P CA 1.344 64.425 63.100 -0.032 0.000 0.813 681 P CB 0.249 31.905 31.700 -0.073 0.000 0.778 682 S N -2.483 113.168 115.700 -0.081 0.000 2.528 682 S HA -0.025 4.454 4.470 0.015 0.000 0.219 682 S C 1.436 175.947 174.600 -0.148 0.000 0.985 682 S CA 0.360 58.481 58.200 -0.132 0.000 0.914 682 S CB -0.933 62.160 63.200 -0.178 0.000 0.776 682 S HN 0.367 nan 8.310 nan 0.000 0.526 683 H N 1.783 120.834 119.070 -0.032 0.000 2.423 683 H HA 0.128 4.693 4.556 0.015 0.000 0.297 683 H C 2.122 177.376 175.328 -0.123 0.000 1.075 683 H CA 1.126 57.151 56.048 -0.038 0.000 1.342 683 H CB 0.130 29.866 29.762 -0.044 0.000 1.395 683 H HN 0.234 nan 8.280 nan 0.000 0.530 684 K N 0.173 120.577 120.400 0.007 0.000 2.062 684 K HA -0.069 4.260 4.320 0.015 0.000 0.205 684 K C 2.268 178.826 176.600 -0.071 0.000 1.051 684 K CA 1.495 57.750 56.287 -0.053 0.000 0.941 684 K CB 0.096 32.578 32.500 -0.031 0.000 0.719 684 K HN 0.317 nan 8.250 nan 0.000 0.440 685 S N 1.107 116.769 115.700 -0.065 0.000 2.446 685 S HA -0.018 4.461 4.470 0.015 0.000 0.225 685 S C 1.907 176.449 174.600 -0.097 0.000 1.016 685 S CA 0.516 58.671 58.200 -0.075 0.000 0.943 685 S CB 0.065 63.221 63.200 -0.074 0.000 0.786 685 S HN 0.176 nan 8.310 nan 0.000 0.508 686 K N 1.372 121.716 120.400 -0.094 0.000 2.057 686 K HA 0.035 4.364 4.320 0.015 0.000 0.207 686 K C 1.967 178.512 176.600 -0.093 0.000 1.049 686 K CA 1.455 57.666 56.287 -0.127 0.000 0.931 686 K CB -0.320 32.174 32.500 -0.011 0.000 0.714 686 K HN 0.423 nan 8.250 nan 0.000 0.440 687 I N 0.490 121.035 120.570 -0.042 0.000 2.252 687 I HA -0.239 3.940 4.170 0.015 0.000 0.245 687 I C 2.182 178.291 176.117 -0.013 0.000 1.102 687 I CA 0.806 62.072 61.300 -0.057 0.000 1.385 687 I CB -0.179 37.583 38.000 -0.398 0.000 1.064 687 I HN -0.034 nan 8.210 nan 0.000 0.414 688 V N 0.976 120.860 119.914 -0.050 0.000 2.594 688 V HA -0.273 3.856 4.120 0.015 0.000 0.253 688 V C 2.452 178.539 176.094 -0.011 0.000 1.069 688 V CA 2.010 64.296 62.300 -0.023 0.000 1.082 688 V CB -0.556 31.245 31.823 -0.036 0.000 0.680 688 V HN 0.502 nan 8.190 nan 0.000 0.469 689 E N -0.865 119.299 120.200 -0.060 0.000 2.051 689 E HA -0.191 4.168 4.350 0.015 0.000 0.189 689 E C 2.227 178.799 176.600 -0.047 0.000 0.979 689 E CA 0.989 57.329 56.400 -0.101 0.000 0.803 689 E CB -0.215 29.358 29.700 -0.211 0.000 0.761 689 E HN 0.604 nan 8.360 nan 0.000 0.451 690 Y N 0.503 120.809 120.300 0.010 0.000 2.193 690 Y HA -0.223 4.336 4.550 0.016 0.000 0.285 690 Y C 2.167 178.129 175.900 0.103 0.000 1.166 690 Y CA 0.810 58.928 58.100 0.031 0.000 1.181 690 Y CB -0.319 38.199 38.460 0.096 0.000 0.976 690 Y HN 0.193 nan 8.280 nan 0.000 0.520 691 L N -0.067 121.323 121.223 0.278 0.000 2.017 691 L HA -0.223 4.126 4.340 0.015 0.000 0.208 691 L C 2.145 179.151 176.870 0.226 0.000 1.073 691 L CA 1.783 56.785 54.840 0.270 0.000 0.745 691 L CB -1.409 40.738 42.059 0.146 0.000 0.894 691 L HN 0.302 nan 8.230 nan 0.000 0.432 692 Q N -1.262 118.607 119.800 0.115 0.000 2.364 692 Q HA -0.113 4.236 4.340 0.015 0.000 0.207 692 Q C 2.064 178.089 176.000 0.042 0.000 0.970 692 Q CA 1.225 57.067 55.803 0.065 0.000 0.888 692 Q CB -0.123 28.625 28.738 0.017 0.000 0.951 692 Q HN 0.599 nan 8.270 nan 0.000 0.469 693 S N -0.836 114.874 115.700 0.017 0.000 2.561 693 S HA -0.069 4.410 4.470 0.015 0.000 0.225 693 S C 0.824 175.315 174.600 -0.182 0.000 0.977 693 S CA 0.190 58.337 58.200 -0.088 0.000 0.926 693 S CB -0.017 63.111 63.200 -0.120 0.000 0.769 693 S HN 0.349 nan 8.310 nan 0.000 0.533 694 Y N 2.244 122.574 120.300 0.051 0.000 2.645 694 Y HA 0.291 4.850 4.550 0.015 0.000 0.307 694 Y C 0.230 176.144 175.900 0.023 0.000 1.151 694 Y CA -0.979 57.143 58.100 0.038 0.000 1.291 694 Y CB -0.423 38.061 38.460 0.041 0.000 1.135 694 Y HN 0.179 nan 8.280 nan 0.000 0.523 695 D N 0.418 120.888 120.400 0.117 0.000 2.792 695 D HA -0.254 4.395 4.640 0.015 0.000 0.231 695 D C -0.136 176.208 176.300 0.072 0.000 1.160 695 D CA 0.933 54.976 54.000 0.073 0.000 0.697 695 D CB -0.821 40.014 40.800 0.057 0.000 1.070 695 D HN 0.528 nan 8.370 nan 0.000 0.426 696 E N -0.305 119.953 120.200 0.095 0.000 2.266 696 E HA 0.324 4.683 4.350 0.015 0.000 0.277 696 E C 0.694 177.315 176.600 0.035 0.000 1.018 696 E CA -0.772 55.665 56.400 0.062 0.000 0.840 696 E CB 1.215 30.962 29.700 0.077 0.000 1.082 696 E HN 0.052 nan 8.360 nan 0.000 0.395 697 I N 3.335 123.910 120.570 0.009 0.000 2.396 697 I HA 0.063 4.242 4.170 0.015 0.000 0.289 697 I C 0.553 176.668 176.117 -0.003 0.000 1.056 697 I CA 0.160 61.456 61.300 -0.006 0.000 1.365 697 I CB 0.285 38.268 38.000 -0.027 0.000 1.407 697 I HN 0.491 nan 8.210 nan 0.000 0.509 698 T N 3.253 117.806 114.554 -0.001 0.000 2.841 698 T HA 0.801 5.161 4.350 0.015 0.000 0.283 698 T C -0.358 174.335 174.700 -0.011 0.000 1.000 698 T CA -0.791 61.309 62.100 0.001 0.000 0.977 698 T CB 2.125 71.000 68.868 0.012 0.000 0.979 698 T HN 0.644 nan 8.240 nan 0.000 0.446 699 A N 3.573 126.385 122.820 -0.013 0.000 2.312 699 A HA 0.804 5.133 4.320 0.015 0.000 0.328 699 A C -0.248 177.330 177.584 -0.009 0.000 1.158 699 A CA -0.963 51.062 52.037 -0.019 0.000 0.821 699 A CB 1.027 20.008 19.000 -0.032 0.000 1.170 699 A HN 0.969 nan 8.150 nan 0.000 0.490 700 M N 1.705 121.298 119.600 -0.012 0.000 2.294 700 M HA 0.571 5.060 4.480 0.015 0.000 0.335 700 M C -0.862 175.439 176.300 0.001 0.000 1.079 700 M CA 0.156 55.454 55.300 -0.003 0.000 0.982 700 M CB 1.684 34.278 32.600 -0.010 0.000 1.651 700 M HN 0.508 nan 8.290 nan 0.000 0.437 701 T N 3.984 118.554 114.554 0.026 0.000 2.809 701 T HA 0.899 5.258 4.350 0.015 0.000 0.284 701 T C -0.145 174.592 174.700 0.062 0.000 0.992 701 T CA -0.417 61.711 62.100 0.046 0.000 0.957 701 T CB 1.279 70.206 68.868 0.099 0.000 0.942 701 T HN 0.934 nan 8.240 nan 0.000 0.439 702 G N 1.701 110.528 108.800 0.045 0.000 2.510 702 G HA2 0.542 4.512 3.960 0.015 0.000 0.277 702 G HA3 0.542 4.512 3.960 0.015 0.000 0.277 702 G C -1.349 173.568 174.900 0.029 0.000 1.223 702 G CA -0.288 44.837 45.100 0.041 0.000 0.887 702 G HN 0.574 nan 8.290 nan 0.000 0.485 703 D N -1.391 119.021 120.400 0.019 0.000 2.489 703 D HA 0.242 4.891 4.640 0.015 0.000 0.343 703 D C 0.760 177.067 176.300 0.012 0.000 1.295 703 D CA 0.871 54.882 54.000 0.017 0.000 0.908 703 D CB -0.054 40.760 40.800 0.023 0.000 1.382 703 D HN 0.860 nan 8.370 nan 0.000 0.468 704 G N 0.486 109.286 108.800 0.000 0.000 2.491 704 G HA2 0.451 4.420 3.960 0.015 0.000 0.327 704 G HA3 0.451 4.420 3.960 0.015 0.000 0.327 704 G C 1.138 176.021 174.900 -0.028 0.000 1.189 704 G CA -0.214 44.878 45.100 -0.012 0.000 0.956 704 G HN 0.333 nan 8.290 nan 0.000 0.491 705 V N -0.272 119.603 119.914 -0.064 0.000 2.913 705 V HA -0.110 4.020 4.120 0.015 0.000 0.260 705 V C 1.913 177.950 176.094 -0.095 0.000 1.098 705 V CA 1.939 64.180 62.300 -0.097 0.000 1.121 705 V CB -0.679 31.007 31.823 -0.228 0.000 0.714 705 V HN 0.737 nan 8.190 nan 0.000 0.487 706 N N -0.144 118.503 118.700 -0.087 0.000 2.494 706 N HA -0.134 4.616 4.740 0.015 0.000 0.182 706 N C 1.081 176.562 175.510 -0.049 0.000 1.076 706 N CA 1.325 54.330 53.050 -0.075 0.000 0.908 706 N CB -0.403 38.040 38.487 -0.073 0.000 0.967 706 N HN 0.538 nan 8.380 nan 0.000 0.449 707 D N 0.858 121.235 120.400 -0.038 0.000 2.333 707 D HA 0.157 4.806 4.640 0.015 0.000 0.208 707 D C 1.820 178.104 176.300 -0.027 0.000 0.984 707 D CA 0.403 54.387 54.000 -0.025 0.000 0.873 707 D CB 0.193 40.986 40.800 -0.013 0.000 0.935 707 D HN 0.346 nan 8.370 nan 0.000 0.521 708 A N 2.062 124.863 122.820 -0.032 0.000 1.865 708 A HA -0.141 4.188 4.320 0.015 0.000 0.217 708 A C -0.182 177.382 177.584 -0.034 0.000 1.191 708 A CA 1.397 53.416 52.037 -0.029 0.000 0.623 708 A CB -1.514 17.469 19.000 -0.027 0.000 0.826 708 A HN 0.154 nan 8.150 nan 0.000 0.444 709 P HA -0.171 nan 4.420 nan 0.000 0.215 709 P C 1.716 178.989 177.300 -0.044 0.000 1.157 709 P CA 2.206 65.279 63.100 -0.046 0.000 0.874 709 P CB -0.109 31.559 31.700 -0.054 0.000 0.790 710 A N -1.203 121.592 122.820 -0.041 0.000 1.970 710 A HA -0.085 4.244 4.320 0.015 0.000 0.216 710 A C 2.148 179.713 177.584 -0.031 0.000 1.170 710 A CA 0.992 53.006 52.037 -0.039 0.000 0.645 710 A CB -1.517 17.460 19.000 -0.038 0.000 0.816 710 A HN 0.095 nan 8.150 nan 0.000 0.447 711 L N -0.635 120.572 121.223 -0.027 0.000 2.079 711 L HA -0.217 4.132 4.340 0.015 0.000 0.210 711 L C 2.578 179.432 176.870 -0.027 0.000 1.081 711 L CA 1.636 56.462 54.840 -0.023 0.000 0.752 711 L CB -0.386 41.661 42.059 -0.020 0.000 0.896 711 L HN 0.353 nan 8.230 nan 0.000 0.433 712 K N -0.079 120.303 120.400 -0.030 0.000 2.062 712 K HA -0.186 4.143 4.320 0.015 0.000 0.205 712 K C 2.194 178.773 176.600 -0.034 0.000 1.051 712 K CA 1.017 57.285 56.287 -0.032 0.000 0.941 712 K CB 0.024 32.504 32.500 -0.033 0.000 0.719 712 K HN -0.030 nan 8.250 nan 0.000 0.440 713 K N 1.346 121.723 120.400 -0.038 0.000 2.026 713 K HA -0.055 4.274 4.320 0.015 0.000 0.208 713 K C 0.352 176.933 176.600 -0.033 0.000 1.048 713 K CA 1.053 57.316 56.287 -0.040 0.000 0.929 713 K CB -0.401 32.070 32.500 -0.049 0.000 0.713 713 K HN 0.156 nan 8.250 nan 0.000 0.439 714 A N 0.937 123.740 122.820 -0.029 0.000 2.520 714 A HA -0.008 4.322 4.320 0.015 0.000 0.235 714 A C 0.831 178.400 177.584 -0.023 0.000 1.065 714 A CA 0.124 52.147 52.037 -0.023 0.000 0.764 714 A CB 0.069 19.056 19.000 -0.022 0.000 1.002 714 A HN 0.443 nan 8.150 nan 0.000 0.502 715 E N 0.128 120.316 120.200 -0.021 0.000 2.085 715 E HA -0.137 4.223 4.350 0.015 0.000 0.194 715 E C -0.274 176.311 176.600 -0.025 0.000 0.994 715 E CA 1.584 57.971 56.400 -0.022 0.000 0.801 715 E CB -0.222 29.466 29.700 -0.020 0.000 0.743 715 E HN 0.641 nan 8.360 nan 0.000 0.453 716 I N -0.471 120.083 120.570 -0.028 0.000 2.447 716 I HA 0.385 4.564 4.170 0.015 0.000 0.287 716 I C 0.173 176.272 176.117 -0.031 0.000 1.023 716 I CA -0.656 60.624 61.300 -0.032 0.000 1.083 716 I CB 2.108 40.086 38.000 -0.038 0.000 1.245 716 I HN -0.148 nan 8.210 nan 0.000 0.434 717 G N 6.551 115.333 108.800 -0.030 0.000 2.343 717 G HA2 0.777 4.746 3.960 0.015 0.000 0.319 717 G HA3 0.777 4.746 3.960 0.015 0.000 0.319 717 G C -0.613 174.268 174.900 -0.031 0.000 1.126 717 G CA -0.428 44.656 45.100 -0.027 0.000 0.889 717 G HN 0.525 nan 8.290 nan 0.000 0.457 718 I N 2.095 122.647 120.570 -0.030 0.000 2.411 718 I HA 0.457 4.636 4.170 0.015 0.000 0.284 718 I C 0.483 176.589 176.117 -0.019 0.000 1.012 718 I CA -0.725 60.553 61.300 -0.037 0.000 1.119 718 I CB 1.870 39.832 38.000 -0.063 0.000 1.261 718 I HN 0.544 nan 8.210 nan 0.000 0.448 719 A N 7.713 130.523 122.820 -0.016 0.000 2.282 719 A HA 0.855 5.184 4.320 0.015 0.000 0.319 719 A C -0.159 177.427 177.584 0.004 0.000 1.121 719 A CA -0.625 51.411 52.037 -0.002 0.000 0.836 719 A CB 0.967 19.965 19.000 -0.003 0.000 1.146 719 A HN 0.618 nan 8.150 nan 0.000 0.494 720 M N 1.389 120.999 119.600 0.018 0.000 2.367 720 M HA 0.282 4.772 4.480 0.015 0.000 0.339 720 M C 1.419 177.727 176.300 0.014 0.000 1.177 720 M CA -0.087 55.227 55.300 0.024 0.000 1.068 720 M CB 1.084 33.709 32.600 0.041 0.000 1.602 720 M HN 0.875 nan 8.290 nan 0.000 0.457 721 G N 0.764 109.571 108.800 0.010 0.000 2.448 721 G HA2 -0.082 3.887 3.960 0.015 0.000 0.218 721 G HA3 -0.082 3.887 3.960 0.015 0.000 0.218 721 G C 1.129 176.032 174.900 0.006 0.000 1.135 721 G CA 0.378 45.481 45.100 0.004 0.000 0.784 721 G HN 0.709 nan 8.290 nan 0.000 0.543 722 S N 0.606 116.312 115.700 0.010 0.000 2.522 722 S HA 0.175 4.654 4.470 0.015 0.000 0.227 722 S C 1.633 176.243 174.600 0.017 0.000 0.986 722 S CA 0.147 58.353 58.200 0.010 0.000 0.929 722 S CB 0.034 63.241 63.200 0.011 0.000 0.769 722 S HN 0.542 nan 8.310 nan 0.000 0.529 723 G N 2.285 111.096 108.800 0.019 0.000 2.683 723 G HA2 0.339 4.308 3.960 0.015 0.000 0.260 723 G HA3 0.339 4.308 3.960 0.015 0.000 0.260 723 G C 0.341 175.260 174.900 0.032 0.000 1.238 723 G CA -0.217 44.898 45.100 0.025 0.000 0.934 723 G HN 0.385 nan 8.290 nan 0.000 0.534 724 T N -2.748 111.833 114.554 0.046 0.000 2.856 724 T HA 0.303 4.662 4.350 0.015 0.000 0.329 724 T C 1.573 176.305 174.700 0.054 0.000 1.094 724 T CA 0.458 62.601 62.100 0.071 0.000 1.112 724 T CB 0.990 69.918 68.868 0.101 0.000 1.009 724 T HN 0.982 nan 8.240 nan 0.000 0.550 725 A N 1.688 124.545 122.820 0.061 0.000 1.970 725 A HA 0.115 4.444 4.320 0.015 0.000 0.216 725 A C 2.458 180.067 177.584 0.040 0.000 1.170 725 A CA 1.229 53.286 52.037 0.032 0.000 0.645 725 A CB -1.061 17.945 19.000 0.010 0.000 0.816 725 A HN 1.231 nan 8.150 nan 0.000 0.447 726 V N -0.467 119.496 119.914 0.081 0.000 2.343 726 V HA -0.140 3.990 4.120 0.015 0.000 0.247 726 V C 2.492 178.605 176.094 0.030 0.000 1.051 726 V CA 2.391 64.731 62.300 0.066 0.000 1.036 726 V CB -1.051 30.836 31.823 0.107 0.000 0.654 726 V HN 0.543 nan 8.190 nan 0.000 0.451 727 A N 0.137 122.975 122.820 0.029 0.000 1.908 727 A HA -0.256 4.073 4.320 0.015 0.000 0.218 727 A C 2.275 179.861 177.584 0.003 0.000 1.181 727 A CA 2.347 54.390 52.037 0.010 0.000 0.627 727 A CB -0.693 18.314 19.000 0.011 0.000 0.818 727 A HN 0.671 nan 8.150 nan 0.000 0.445 728 K N -1.109 119.295 120.400 0.006 0.000 2.032 728 K HA -0.116 4.213 4.320 0.015 0.000 0.209 728 K C 2.129 178.721 176.600 -0.012 0.000 1.048 728 K CA 1.825 58.109 56.287 -0.004 0.000 0.927 728 K CB -0.495 32.002 32.500 -0.004 0.000 0.712 728 K HN 0.455 nan 8.250 nan 0.000 0.441 729 T N 0.795 115.343 114.554 -0.009 0.000 2.759 729 T HA -0.171 4.189 4.350 0.015 0.000 0.269 729 T C 1.809 176.496 174.700 -0.021 0.000 1.042 729 T CA 1.477 63.567 62.100 -0.017 0.000 1.140 729 T CB -0.181 68.681 68.868 -0.010 0.000 0.864 729 T HN 0.356 nan 8.240 nan 0.000 0.455 730 A N 1.258 124.069 122.820 -0.016 0.000 2.072 730 A HA 0.228 4.557 4.320 0.015 0.000 0.216 730 A C 1.600 179.170 177.584 -0.024 0.000 1.156 730 A CA 0.534 52.559 52.037 -0.020 0.000 0.701 730 A CB -0.170 18.820 19.000 -0.017 0.000 0.816 730 A HN 0.551 nan 8.150 nan 0.000 0.458 731 S N -1.248 114.438 115.700 -0.023 0.000 2.730 731 S HA 0.563 5.042 4.470 0.015 0.000 0.284 731 S C 0.130 174.712 174.600 -0.031 0.000 1.153 731 S CA -0.325 57.859 58.200 -0.026 0.000 0.995 731 S CB 1.297 64.484 63.200 -0.023 0.000 1.058 731 S HN 0.131 nan 8.310 nan 0.000 0.552 732 E N -0.515 119.666 120.200 -0.033 0.000 2.489 732 E HA 0.401 4.760 4.350 0.015 0.000 0.204 732 E C -0.199 176.379 176.600 -0.037 0.000 1.006 732 E CA 0.112 56.490 56.400 -0.036 0.000 0.936 732 E CB 0.533 30.212 29.700 -0.035 0.000 1.002 732 E HN 0.638 nan 8.360 nan 0.000 0.488 733 M N 0.484 120.062 119.600 -0.037 0.000 2.433 733 M HA 0.420 4.909 4.480 0.015 0.000 0.290 733 M C -1.771 174.508 176.300 -0.035 0.000 1.173 733 M CA -0.871 54.405 55.300 -0.039 0.000 0.905 733 M CB 2.070 34.641 32.600 -0.048 0.000 1.692 733 M HN -0.297 nan 8.290 nan 0.000 0.462 734 V N 5.331 125.226 119.914 -0.032 0.000 2.444 734 V HA 0.360 4.489 4.120 0.015 0.000 0.294 734 V C -0.259 175.819 176.094 -0.027 0.000 1.022 734 V CA -0.672 61.612 62.300 -0.025 0.000 0.850 734 V CB 1.868 33.680 31.823 -0.019 0.000 0.992 734 V HN 0.775 nan 8.190 nan 0.000 0.426 735 L N 5.000 126.207 121.223 -0.027 0.000 2.400 735 L HA 0.191 4.540 4.340 0.015 0.000 0.262 735 L C 1.949 178.814 176.870 -0.009 0.000 1.309 735 L CA 0.054 54.880 54.840 -0.024 0.000 1.186 735 L CB -0.333 41.709 42.059 -0.029 0.000 1.375 735 L HN 0.880 nan 8.230 nan 0.000 0.433 736 A N 2.902 125.716 122.820 -0.011 0.000 1.923 736 A HA -0.296 4.033 4.320 0.015 0.000 0.222 736 A C 1.799 179.382 177.584 -0.001 0.000 1.258 736 A CA 2.534 54.567 52.037 -0.006 0.000 0.670 736 A CB -0.427 18.568 19.000 -0.008 0.000 0.834 736 A HN 0.854 nan 8.150 nan 0.000 0.470 737 D N -1.826 118.575 120.400 0.001 0.000 2.325 737 D HA 0.086 4.736 4.640 0.015 0.000 0.225 737 D C -0.233 176.077 176.300 0.016 0.000 1.096 737 D CA 0.628 54.632 54.000 0.007 0.000 0.844 737 D CB -0.498 40.306 40.800 0.006 0.000 0.925 737 D HN 0.452 nan 8.370 nan 0.000 0.513 738 D N 0.233 120.645 120.400 0.021 0.000 3.059 738 D HA -0.268 4.381 4.640 0.015 0.000 0.222 738 D C -0.183 176.156 176.300 0.066 0.000 1.185 738 D CA 0.642 54.667 54.000 0.042 0.000 0.904 738 D CB -2.210 38.611 40.800 0.036 0.000 1.122 738 D HN 0.611 nan 8.370 nan 0.000 0.410 739 N N -0.198 118.530 118.700 0.046 0.000 2.400 739 N HA 0.069 4.819 4.740 0.015 0.000 0.267 739 N C 1.009 176.564 175.510 0.074 0.000 1.208 739 N CA -0.242 52.843 53.050 0.057 0.000 0.951 739 N CB -0.024 38.478 38.487 0.026 0.000 1.227 739 N HN 0.037 nan 8.380 nan 0.000 0.488 740 F N 3.210 123.149 119.950 -0.018 0.000 2.365 740 F HA -0.129 4.407 4.527 0.016 0.000 0.300 740 F C 2.450 178.239 175.800 -0.019 0.000 1.090 740 F CA 1.106 59.094 58.000 -0.020 0.000 1.408 740 F CB 0.072 39.057 39.000 -0.024 0.000 1.060 740 F HN 0.534 nan 8.300 nan 0.000 0.534 741 S N -1.712 114.052 115.700 0.107 0.000 2.447 741 S HA -0.212 4.268 4.470 0.015 0.000 0.233 741 S C 2.087 176.654 174.600 -0.056 0.000 1.006 741 S CA 1.197 59.414 58.200 0.028 0.000 0.957 741 S CB -1.295 61.939 63.200 0.056 0.000 0.773 741 S HN 0.517 nan 8.310 nan 0.000 0.507 742 T N 1.739 116.250 114.554 -0.072 0.000 2.929 742 T HA 0.030 4.389 4.350 0.015 0.000 0.271 742 T C 1.608 176.226 174.700 -0.138 0.000 1.085 742 T CA 1.120 63.168 62.100 -0.086 0.000 1.125 742 T CB -0.835 67.998 68.868 -0.059 0.000 0.874 742 T HN 0.556 nan 8.240 nan 0.000 0.494 743 I N 0.745 121.170 120.570 -0.243 0.000 2.361 743 I HA -0.097 4.082 4.170 0.015 0.000 0.251 743 I C 2.505 178.516 176.117 -0.175 0.000 1.133 743 I CA 0.864 62.003 61.300 -0.268 0.000 1.413 743 I CB -0.607 37.105 38.000 -0.480 0.000 1.073 743 I HN 0.208 nan 8.210 nan 0.000 0.424 744 V N 1.429 121.257 119.914 -0.143 0.000 2.358 744 V HA -0.225 3.904 4.120 0.015 0.000 0.246 744 V C 2.862 178.918 176.094 -0.063 0.000 1.047 744 V CA 1.855 64.106 62.300 -0.081 0.000 1.035 744 V CB -0.995 30.801 31.823 -0.046 0.000 0.658 744 V HN 0.471 nan 8.190 nan 0.000 0.452 745 A N 0.160 122.944 122.820 -0.060 0.000 1.940 745 A HA -0.127 4.202 4.320 0.015 0.000 0.219 745 A C 2.351 179.905 177.584 -0.050 0.000 1.176 745 A CA 2.081 54.091 52.037 -0.046 0.000 0.631 745 A CB -0.666 18.309 19.000 -0.041 0.000 0.814 745 A HN 0.587 nan 8.150 nan 0.000 0.446 746 A N -0.724 122.056 122.820 -0.067 0.000 2.066 746 A HA 0.147 4.476 4.320 0.015 0.000 0.218 746 A C 2.253 179.803 177.584 -0.056 0.000 1.157 746 A CA 1.533 53.532 52.037 -0.063 0.000 0.670 746 A CB -0.715 18.238 19.000 -0.078 0.000 0.804 746 A HN 1.027 nan 8.150 nan 0.000 0.453 747 V N -0.421 119.457 119.914 -0.059 0.000 2.446 747 V HA -0.133 3.997 4.120 0.015 0.000 0.244 747 V C 2.067 178.137 176.094 -0.040 0.000 1.039 747 V CA 2.404 64.673 62.300 -0.053 0.000 1.045 747 V CB -0.310 31.478 31.823 -0.057 0.000 0.681 747 V HN 0.685 nan 8.190 nan 0.000 0.459 748 E N 0.009 120.188 120.200 -0.035 0.000 2.085 748 E HA -0.336 4.023 4.350 0.015 0.000 0.194 748 E C 2.130 178.717 176.600 -0.021 0.000 0.994 748 E CA 1.903 58.288 56.400 -0.025 0.000 0.801 748 E CB -0.194 29.493 29.700 -0.022 0.000 0.743 748 E HN 0.762 nan 8.360 nan 0.000 0.453 749 E N -0.217 119.967 120.200 -0.026 0.000 2.077 749 E HA -0.117 4.242 4.350 0.015 0.000 0.193 749 E C 1.887 178.477 176.600 -0.018 0.000 0.989 749 E CA 1.657 58.042 56.400 -0.025 0.000 0.800 749 E CB -0.727 28.954 29.700 -0.031 0.000 0.746 749 E HN 0.350 nan 8.360 nan 0.000 0.452 750 G N 0.197 108.984 108.800 -0.021 0.000 2.422 750 G HA2 -0.272 3.697 3.960 0.015 0.000 0.218 750 G HA3 -0.272 3.697 3.960 0.015 0.000 0.218 750 G C 1.666 176.572 174.900 0.010 0.000 1.146 750 G CA 0.772 45.865 45.100 -0.012 0.000 0.769 750 G HN 0.194 nan 8.290 nan 0.000 0.547 751 R N 0.336 120.835 120.500 -0.001 0.000 2.073 751 R HA 0.100 4.449 4.340 0.015 0.000 0.229 751 R C 3.027 179.360 176.300 0.055 0.000 1.120 751 R CA 1.028 57.138 56.100 0.016 0.000 0.967 751 R CB -0.323 29.973 30.300 -0.007 0.000 0.862 751 R HN 0.342 nan 8.270 nan 0.000 0.436 752 A N 1.329 124.163 122.820 0.023 0.000 1.930 752 A HA -0.112 4.217 4.320 0.015 0.000 0.217 752 A C 2.133 179.721 177.584 0.006 0.000 1.175 752 A CA 1.076 53.120 52.037 0.013 0.000 0.627 752 A CB -0.450 18.547 19.000 -0.004 0.000 0.815 752 A HN 0.165 nan 8.150 nan 0.000 0.443 753 I N -1.920 118.657 120.570 0.011 0.000 2.264 753 I HA -0.281 3.898 4.170 0.015 0.000 0.248 753 I C 2.465 178.576 176.117 -0.010 0.000 1.111 753 I CA 1.831 63.131 61.300 0.001 0.000 1.382 753 I CB -0.395 37.612 38.000 0.012 0.000 1.060 753 I HN 0.563 nan 8.210 nan 0.000 0.418 754 Y N 2.237 122.481 120.300 -0.092 0.000 2.133 754 Y HA -0.264 4.295 4.550 0.015 0.000 0.287 754 Y C 2.414 178.224 175.900 -0.150 0.000 1.134 754 Y CA 1.725 59.755 58.100 -0.116 0.000 1.133 754 Y CB -0.423 37.989 38.460 -0.080 0.000 0.987 754 Y HN 0.125 nan 8.280 nan 0.000 0.502 755 N N 0.855 119.549 118.700 -0.010 0.000 2.096 755 N HA -0.246 4.503 4.740 0.015 0.000 0.195 755 N C 1.309 176.682 175.510 -0.230 0.000 1.017 755 N CA 1.861 54.852 53.050 -0.098 0.000 0.870 755 N CB -0.585 37.899 38.487 -0.005 0.000 1.024 755 N HN 0.469 nan 8.380 nan 0.000 0.434 756 N N -0.024 118.547 118.700 -0.215 0.000 2.300 756 N HA 0.060 4.810 4.740 0.015 0.000 0.179 756 N C 1.671 176.803 175.510 -0.630 0.000 1.016 756 N CA 0.378 53.285 53.050 -0.239 0.000 0.876 756 N CB -0.144 38.298 38.487 -0.075 0.000 0.979 756 N HN 0.334 nan 8.380 nan 0.000 0.432 757 M N 0.822 119.946 119.600 -0.793 0.000 2.296 757 M HA -0.146 4.343 4.480 0.015 0.000 0.265 757 M C 1.826 177.364 176.300 -1.270 0.000 1.064 757 M CA 1.359 55.796 55.300 -1.437 0.000 1.109 757 M CB -0.009 32.168 32.600 -0.705 0.000 1.396 757 M HN 0.158 nan 8.290 nan 0.000 0.430 758 K N -0.670 119.241 120.400 -0.814 0.000 2.262 758 K HA -0.075 4.254 4.320 0.015 0.000 0.200 758 K C 1.834 178.210 176.600 -0.373 0.000 1.049 758 K CA 0.678 56.622 56.287 -0.573 0.000 0.979 758 K CB -0.290 31.878 32.500 -0.553 0.000 0.773 758 K HN 0.265 nan 8.250 nan 0.000 0.474 759 Q N 0.483 120.080 119.800 -0.338 0.000 2.123 759 Q HA -0.096 4.253 4.340 0.015 0.000 0.199 759 Q C 1.648 177.622 176.000 -0.044 0.000 0.966 759 Q CA 1.321 57.035 55.803 -0.149 0.000 0.845 759 Q CB -0.024 28.648 28.738 -0.110 0.000 0.907 759 Q HN 0.584 nan 8.270 nan 0.000 0.439 760 F N -1.596 118.315 119.950 -0.064 0.000 2.710 760 F HA 0.183 4.719 4.527 0.015 0.000 0.298 760 F C 1.378 177.172 175.800 -0.010 0.000 1.137 760 F CA 0.064 58.048 58.000 -0.025 0.000 1.444 760 F CB -0.454 38.513 39.000 -0.055 0.000 1.111 760 F HN -0.028 nan 8.300 nan 0.000 0.580 761 I N 0.427 121.030 120.570 0.055 0.000 2.500 761 I HA -0.100 4.079 4.170 0.015 0.000 0.252 761 I C 2.480 178.535 176.117 -0.103 0.000 1.142 761 I CA 0.695 61.999 61.300 0.008 0.000 1.451 761 I CB -0.220 37.656 38.000 -0.207 0.000 1.093 761 I HN 0.032 nan 8.210 nan 0.000 0.430 762 R N -0.400 120.035 120.500 -0.109 0.000 2.066 762 R HA -0.210 4.140 4.340 0.015 0.000 0.232 762 R C 2.351 178.580 176.300 -0.119 0.000 1.131 762 R CA 1.758 57.754 56.100 -0.174 0.000 0.955 762 R CB -0.741 29.525 30.300 -0.056 0.000 0.851 762 R HN 0.295 nan 8.270 nan 0.000 0.432 763 Y N 1.559 121.809 120.300 -0.084 0.000 2.081 763 Y HA -0.281 4.279 4.550 0.016 0.000 0.280 763 Y C 1.934 177.792 175.900 -0.069 0.000 1.163 763 Y CA 1.568 59.639 58.100 -0.048 0.000 1.135 763 Y CB -0.295 38.170 38.460 0.009 0.000 0.970 763 Y HN -0.066 nan 8.280 nan 0.000 0.498 764 L N 0.125 121.318 121.223 -0.049 0.000 2.093 764 L HA -0.181 4.168 4.340 0.015 0.000 0.208 764 L C 2.461 179.201 176.870 -0.217 0.000 1.085 764 L CA 1.444 56.187 54.840 -0.161 0.000 0.755 764 L CB -0.887 41.175 42.059 0.006 0.000 0.904 764 L HN 0.488 nan 8.230 nan 0.000 0.435 765 I N -1.088 119.332 120.570 -0.249 0.000 2.500 765 I HA -0.221 3.958 4.170 0.015 0.000 0.252 765 I C 2.389 178.330 176.117 -0.293 0.000 1.142 765 I CA 1.146 62.282 61.300 -0.273 0.000 1.451 765 I CB 0.001 37.772 38.000 -0.382 0.000 1.093 765 I HN 0.435 nan 8.210 nan 0.000 0.430 766 S N 0.372 115.860 115.700 -0.354 0.000 2.419 766 S HA -0.160 4.319 4.470 0.015 0.000 0.233 766 S C 1.857 176.376 174.600 -0.135 0.000 1.016 766 S CA 1.292 59.380 58.200 -0.187 0.000 0.974 766 S CB -0.744 62.376 63.200 -0.133 0.000 0.786 766 S HN 0.614 nan 8.310 nan 0.000 0.492 767 S N 0.554 116.128 115.700 -0.210 0.000 2.605 767 S HA 0.279 4.758 4.470 0.015 0.000 0.217 767 S C 1.162 175.700 174.600 -0.103 0.000 0.958 767 S CA -0.414 57.687 58.200 -0.164 0.000 0.919 767 S CB -0.251 62.803 63.200 -0.243 0.000 0.780 767 S HN 0.489 nan 8.310 nan 0.000 0.507 768 N N 1.075 119.725 118.700 -0.084 0.000 2.571 768 N HA 0.145 4.895 4.740 0.015 0.000 0.195 768 N C 0.220 175.727 175.510 -0.005 0.000 1.040 768 N CA 0.611 53.640 53.050 -0.036 0.000 0.890 768 N CB 0.282 38.755 38.487 -0.024 0.000 1.233 768 N HN 0.251 nan 8.380 nan 0.000 0.435 769 V N 1.279 121.199 119.914 0.010 0.000 2.800 769 V HA 0.381 4.511 4.120 0.015 0.000 0.365 769 V C 1.078 177.177 176.094 0.008 0.000 1.527 769 V CA 0.327 62.646 62.300 0.032 0.000 1.623 769 V CB 0.001 31.886 31.823 0.102 0.000 1.407 769 V HN 0.427 nan 8.190 nan 0.000 0.527 770 G N 0.163 108.959 108.800 -0.006 0.000 3.293 770 G HA2 0.062 4.032 3.960 0.015 0.000 0.157 770 G HA3 0.062 4.032 3.960 0.015 0.000 0.157 770 G C 0.729 175.623 174.900 -0.010 0.000 1.298 770 G CA -0.039 45.054 45.100 -0.012 0.000 0.831 770 G HN 0.487 nan 8.290 nan 0.000 0.902 771 E N 0.342 120.539 120.200 -0.006 0.000 2.276 771 E HA 0.127 4.486 4.350 0.015 0.000 0.193 771 E C 2.274 178.889 176.600 0.025 0.000 0.983 771 E CA 0.387 56.790 56.400 0.006 0.000 0.861 771 E CB 0.550 30.253 29.700 0.004 0.000 0.817 771 E HN 0.213 nan 8.360 nan 0.000 0.485 772 V N 0.815 120.744 119.914 0.024 0.000 2.548 772 V HA -0.170 3.959 4.120 0.015 0.000 0.249 772 V C 2.214 178.352 176.094 0.073 0.000 1.055 772 V CA 0.924 63.247 62.300 0.039 0.000 1.065 772 V CB -0.078 31.753 31.823 0.012 0.000 0.681 772 V HN 0.120 nan 8.190 nan 0.000 0.462 773 V N -0.369 119.574 119.914 0.049 0.000 2.287 773 V HA -0.336 3.793 4.120 0.015 0.000 0.248 773 V C 2.598 178.761 176.094 0.115 0.000 1.053 773 V CA 2.517 64.863 62.300 0.076 0.000 1.027 773 V CB -0.573 31.266 31.823 0.027 0.000 0.646 773 V HN 0.817 nan 8.190 nan 0.000 0.447 774 C N -0.087 119.254 119.300 0.068 0.000 2.435 774 C HA -0.060 4.409 4.460 0.015 0.000 0.279 774 C C 2.382 177.420 174.990 0.081 0.000 1.321 774 C CA 0.412 59.466 59.018 0.059 0.000 1.752 774 C CB -1.045 26.710 27.740 0.025 0.000 1.959 774 C HN 0.515 nan 8.230 nan 0.000 0.500 775 I N 0.059 120.684 120.570 0.093 0.000 3.111 775 I HA 0.094 4.273 4.170 0.015 0.000 0.272 775 I C 1.587 177.787 176.117 0.138 0.000 1.268 775 I CA 0.960 62.313 61.300 0.088 0.000 1.467 775 I CB -1.440 36.597 38.000 0.062 0.000 1.087 775 I HN 0.341 nan 8.210 nan 0.000 0.467 776 F N 0.093 120.054 119.950 0.019 0.000 2.641 776 F HA 0.260 4.795 4.527 0.013 0.000 0.302 776 F C 1.487 177.316 175.800 0.048 0.000 1.098 776 F CA 0.328 58.348 58.000 0.033 0.000 1.318 776 F CB 0.234 39.251 39.000 0.027 0.000 1.035 776 F HN -0.144 nan 8.300 nan 0.000 0.551 777 L N -2.132 119.127 121.223 0.060 0.000 2.854 777 L HA 0.116 4.465 4.340 0.015 0.000 0.249 777 L C 1.796 178.688 176.870 0.037 0.000 1.091 777 L CA 0.348 55.201 54.840 0.022 0.000 0.935 777 L CB -0.090 42.011 42.059 0.069 0.000 1.367 777 L HN -0.187 nan 8.230 nan 0.000 0.524 778 T N -0.074 114.517 114.554 0.062 0.000 3.308 778 T HA 0.162 4.521 4.350 0.015 0.000 0.255 778 T C 1.035 175.797 174.700 0.103 0.000 1.162 778 T CA 1.164 63.321 62.100 0.094 0.000 1.031 778 T CB 0.049 68.967 68.868 0.082 0.000 0.973 778 T HN 0.451 nan 8.240 nan 0.000 0.544 779 A N -0.727 122.116 122.820 0.038 0.000 1.704 779 A HA 0.687 5.016 4.320 0.015 0.000 0.205 779 A C 2.013 179.575 177.584 -0.037 0.000 1.837 779 A CA 0.645 52.721 52.037 0.065 0.000 1.364 779 A CB -0.753 18.221 19.000 -0.042 0.000 1.377 779 A HN 0.365 nan 8.150 nan 0.000 0.390 780 A N -0.105 122.564 122.820 -0.251 0.000 2.066 780 A HA 0.310 4.639 4.320 0.015 0.000 0.218 780 A C 1.428 178.934 177.584 -0.130 0.000 1.157 780 A CA 1.132 52.982 52.037 -0.311 0.000 0.670 780 A CB -0.418 18.232 19.000 -0.583 0.000 0.804 780 A HN 0.421 nan 8.150 nan 0.000 0.453 781 L N -1.242 119.943 121.223 -0.063 0.000 2.910 781 L HA 0.262 4.611 4.340 0.015 0.000 0.252 781 L C 1.495 178.353 176.870 -0.020 0.000 1.195 781 L CA 0.306 55.131 54.840 -0.025 0.000 1.003 781 L CB -0.272 41.796 42.059 0.016 0.000 1.328 781 L HN 0.482 nan 8.230 nan 0.000 0.540 782 G N 1.051 109.841 108.800 -0.017 0.000 2.225 782 G HA2 -0.317 3.652 3.960 0.015 0.000 0.272 782 G HA3 -0.317 3.652 3.960 0.015 0.000 0.272 782 G C 0.572 175.495 174.900 0.037 0.000 0.996 782 G CA 0.392 45.462 45.100 -0.049 0.000 0.710 782 G HN 0.329 nan 8.290 nan 0.000 0.522 783 L N 1.089 122.412 121.223 0.167 0.000 2.472 783 L HA 0.230 4.579 4.340 0.015 0.000 0.273 783 L C -1.070 176.085 176.870 0.476 0.000 1.254 783 L CA -1.217 53.833 54.840 0.350 0.000 0.823 783 L CB 0.021 42.229 42.059 0.249 0.000 1.096 783 L HN 0.045 nan 8.230 nan 0.000 0.521 784 P HA 0.075 nan 4.420 nan 0.000 0.282 784 P C -1.065 176.334 177.300 0.165 0.000 1.274 784 P CA -0.590 62.600 63.100 0.151 0.000 0.770 784 P CB 0.468 32.057 31.700 -0.185 0.000 0.867 785 E N 2.282 122.575 120.200 0.156 0.000 3.072 785 E HA -0.067 4.292 4.350 0.015 0.000 0.241 785 E C 0.721 177.366 176.600 0.076 0.000 0.962 785 E CA -0.121 56.341 56.400 0.104 0.000 0.955 785 E CB -0.061 29.684 29.700 0.076 0.000 0.899 785 E HN 0.434 nan 8.360 nan 0.000 0.547 786 A N 4.817 127.679 122.820 0.071 0.000 2.067 786 A HA 0.104 4.433 4.320 0.015 0.000 0.217 786 A C 0.760 178.354 177.584 0.016 0.000 1.156 786 A CA 0.541 52.605 52.037 0.045 0.000 0.683 786 A CB 0.100 19.130 19.000 0.049 0.000 0.808 786 A HN 0.598 nan 8.150 nan 0.000 0.455 787 L N -0.298 120.940 121.223 0.025 0.000 2.434 787 L HA 0.538 4.888 4.340 0.015 0.000 0.260 787 L C -0.939 175.948 176.870 0.028 0.000 0.983 787 L CA -0.918 53.936 54.840 0.023 0.000 0.820 787 L CB 2.309 44.384 42.059 0.026 0.000 1.361 787 L HN 0.346 nan 8.230 nan 0.000 0.410 788 I N -1.374 119.215 120.570 0.031 0.000 2.648 788 I HA 0.529 4.708 4.170 0.015 0.000 0.304 788 I C -2.094 174.048 176.117 0.042 0.000 1.009 788 I CA -2.212 59.105 61.300 0.028 0.000 1.114 788 I CB 1.392 39.399 38.000 0.013 0.000 1.293 788 I HN 0.294 nan 8.210 nan 0.000 0.449 789 P HA -0.196 nan 4.420 nan 0.000 0.218 789 P C 1.797 179.138 177.300 0.069 0.000 1.154 789 P CA 1.244 64.376 63.100 0.053 0.000 0.872 789 P CB 0.053 31.783 31.700 0.051 0.000 0.790 790 V N -0.371 119.567 119.914 0.039 0.000 2.469 790 V HA -0.301 3.829 4.120 0.015 0.000 0.251 790 V C 2.400 178.572 176.094 0.131 0.000 1.064 790 V CA 1.945 64.259 62.300 0.023 0.000 1.066 790 V CB -1.317 30.426 31.823 -0.133 0.000 0.667 790 V HN 0.272 nan 8.190 nan 0.000 0.461 791 Q N -0.534 119.364 119.800 0.163 0.000 2.096 791 Q HA -0.057 4.292 4.340 0.015 0.000 0.197 791 Q C 2.311 178.469 176.000 0.264 0.000 0.964 791 Q CA 1.190 57.172 55.803 0.298 0.000 0.838 791 Q CB -0.237 28.633 28.738 0.220 0.000 0.906 791 Q HN 0.512 nan 8.270 nan 0.000 0.444 792 L N 0.855 122.175 121.223 0.162 0.000 1.956 792 L HA -0.255 4.094 4.340 0.015 0.000 0.216 792 L C 2.458 179.407 176.870 0.131 0.000 1.073 792 L CA 1.324 56.235 54.840 0.119 0.000 0.762 792 L CB -0.948 41.156 42.059 0.075 0.000 0.889 792 L HN 0.256 nan 8.230 nan 0.000 0.433 793 L N -1.432 119.871 121.223 0.133 0.000 1.987 793 L HA -0.337 4.012 4.340 0.015 0.000 0.230 793 L C 2.453 179.424 176.870 0.168 0.000 1.089 793 L CA 2.128 57.044 54.840 0.127 0.000 0.802 793 L CB -1.290 40.850 42.059 0.135 0.000 0.905 793 L HN 0.404 nan 8.230 nan 0.000 0.441 794 W N 0.661 122.021 121.300 0.101 0.000 2.290 794 W HA -0.255 4.411 4.660 0.010 0.000 0.318 794 W C 2.468 179.030 176.519 0.072 0.000 1.248 794 W CA 2.526 59.945 57.345 0.123 0.000 1.263 794 W CB -0.452 29.155 29.460 0.246 0.000 1.147 794 W HN -0.122 nan 8.180 nan 0.000 0.494 795 V N 0.819 120.896 119.914 0.273 0.000 2.237 795 V HA -0.367 3.762 4.120 0.015 0.000 0.245 795 V C 2.151 178.217 176.094 -0.046 0.000 1.046 795 V CA 2.354 64.712 62.300 0.097 0.000 1.007 795 V CB -1.192 30.704 31.823 0.122 0.000 0.638 795 V HN 0.195 nan 8.190 nan 0.000 0.445 796 N N 0.008 118.697 118.700 -0.018 0.000 2.223 796 N HA -0.120 4.629 4.740 0.015 0.000 0.185 796 N C 1.510 176.968 175.510 -0.086 0.000 1.016 796 N CA 1.130 54.149 53.050 -0.051 0.000 0.863 796 N CB -0.330 38.143 38.487 -0.024 0.000 0.983 796 N HN 0.393 nan 8.380 nan 0.000 0.429 797 L N -0.639 120.517 121.223 -0.112 0.000 2.416 797 L HA 0.151 4.500 4.340 0.015 0.000 0.216 797 L C 1.330 178.049 176.870 -0.252 0.000 1.098 797 L CA 0.771 55.523 54.840 -0.148 0.000 0.840 797 L CB 0.455 42.450 42.059 -0.107 0.000 0.981 797 L HN -0.127 nan 8.230 nan 0.000 0.462 798 V N -3.147 116.532 119.914 -0.391 0.000 3.261 798 V HA 0.005 4.134 4.120 0.015 0.000 0.212 798 V C 1.958 177.776 176.094 -0.460 0.000 1.381 798 V CA 1.044 63.020 62.300 -0.539 0.000 1.322 798 V CB 0.416 31.625 31.823 -1.022 0.000 1.188 798 V HN 0.168 nan 8.190 nan 0.000 0.520 799 T N 0.712 114.968 114.554 -0.497 0.000 2.788 799 T HA -0.160 4.199 4.350 0.015 0.000 0.268 799 T C 1.369 176.029 174.700 -0.067 0.000 1.044 799 T CA 2.013 63.980 62.100 -0.222 0.000 1.139 799 T CB -0.221 68.607 68.868 -0.066 0.000 0.867 799 T HN 0.429 nan 8.240 nan 0.000 0.454 800 D N 0.779 121.149 120.400 -0.050 0.000 2.216 800 D HA 0.088 4.737 4.640 0.015 0.000 0.208 800 D C 2.411 178.742 176.300 0.052 0.000 0.960 800 D CA 0.796 54.854 54.000 0.098 0.000 0.861 800 D CB -0.914 39.899 40.800 0.021 0.000 0.985 800 D HN 0.436 nan 8.370 nan 0.000 0.493 801 G N 0.642 109.392 108.800 -0.084 0.000 2.499 801 G HA2 -0.214 3.755 3.960 0.015 0.000 0.221 801 G HA3 -0.214 3.755 3.960 0.015 0.000 0.221 801 G C 1.416 176.232 174.900 -0.139 0.000 1.109 801 G CA 0.630 45.650 45.100 -0.132 0.000 0.749 801 G HN 0.140 nan 8.290 nan 0.000 0.568 802 L N 0.568 121.721 121.223 -0.116 0.000 2.185 802 L HA 0.199 4.549 4.340 0.015 0.000 0.198 802 L C -0.334 176.475 176.870 -0.102 0.000 1.079 802 L CA 0.980 55.754 54.840 -0.109 0.000 0.780 802 L CB -1.129 40.875 42.059 -0.091 0.000 0.955 802 L HN 0.003 nan 8.230 nan 0.000 0.462 803 P HA -0.009 nan 4.420 nan 0.000 0.230 803 P C 1.328 178.477 177.300 -0.253 0.000 1.158 803 P CA 1.068 64.076 63.100 -0.154 0.000 0.769 803 P CB 0.036 31.630 31.700 -0.176 0.000 0.807 804 A N -0.313 122.385 122.820 -0.203 0.000 1.902 804 A HA -0.145 4.184 4.320 0.015 0.000 0.217 804 A C 1.983 179.413 177.584 -0.256 0.000 1.181 804 A CA 2.235 54.148 52.037 -0.207 0.000 0.623 804 A CB -1.700 17.199 19.000 -0.168 0.000 0.818 804 A HN 0.214 nan 8.150 nan 0.000 0.443 805 T N -0.638 113.787 114.554 -0.216 0.000 3.081 805 T HA 0.335 4.694 4.350 0.015 0.000 0.255 805 T C 1.750 176.485 174.700 0.058 0.000 1.113 805 T CA 0.680 62.689 62.100 -0.152 0.000 1.082 805 T CB 0.060 68.839 68.868 -0.149 0.000 0.939 805 T HN 0.498 nan 8.240 nan 0.000 0.506 806 A N 1.129 123.973 122.820 0.041 0.000 2.208 806 A HA 0.355 4.684 4.320 0.015 0.000 0.209 806 A C 1.756 179.436 177.584 0.159 0.000 1.161 806 A CA 0.388 52.510 52.037 0.141 0.000 0.782 806 A CB -0.553 18.470 19.000 0.039 0.000 0.816 806 A HN 0.508 nan 8.150 nan 0.000 0.477 807 L N -1.304 119.971 121.223 0.087 0.000 2.700 807 L HA 0.201 4.550 4.340 0.015 0.000 0.234 807 L C 2.006 178.999 176.870 0.204 0.000 1.156 807 L CA 0.397 55.301 54.840 0.106 0.000 0.946 807 L CB 0.266 42.352 42.059 0.045 0.000 1.216 807 L HN 0.413 nan 8.230 nan 0.000 0.493 808 G N -0.761 108.154 108.800 0.193 0.000 2.656 808 G HA2 -0.088 3.882 3.960 0.015 0.000 0.211 808 G HA3 -0.088 3.882 3.960 0.015 0.000 0.211 808 G C 0.995 175.886 174.900 -0.015 0.000 1.137 808 G CA -0.027 45.144 45.100 0.118 0.000 0.802 808 G HN 0.188 nan 8.290 nan 0.000 0.527 809 F N 1.661 121.630 119.950 0.031 0.000 2.816 809 F HA 0.238 4.773 4.527 0.014 0.000 0.302 809 F C 0.763 176.609 175.800 0.077 0.000 1.178 809 F CA -0.547 57.490 58.000 0.062 0.000 1.421 809 F CB -0.100 38.963 39.000 0.106 0.000 1.114 809 F HN -0.092 nan 8.300 nan 0.000 0.573 810 N N 2.819 121.623 118.700 0.174 0.000 2.454 810 N HA 0.029 4.778 4.740 0.015 0.000 0.260 810 N C -2.331 173.226 175.510 0.078 0.000 1.218 810 N CA -1.330 51.785 53.050 0.109 0.000 0.904 810 N CB 0.039 38.560 38.487 0.058 0.000 1.065 810 N HN -0.048 nan 8.380 nan 0.000 0.462 811 P HA 0.057 nan 4.420 nan 0.000 0.262 811 P C -2.459 174.856 177.300 0.025 0.000 1.182 811 P CA -0.647 62.481 63.100 0.047 0.000 0.761 811 P CB -0.402 31.313 31.700 0.025 0.000 0.795 812 P HA 0.079 nan 4.420 nan 0.000 0.265 812 P C -0.155 177.149 177.300 0.006 0.000 1.222 812 P CA 0.188 63.294 63.100 0.010 0.000 0.767 812 P CB -0.067 31.639 31.700 0.009 0.000 0.801 813 D N 2.958 123.360 120.400 0.003 0.000 2.518 813 D HA -0.057 4.592 4.640 0.015 0.000 0.270 813 D C 0.018 176.318 176.300 -0.000 0.000 1.338 813 D CA 0.199 54.200 54.000 0.001 0.000 0.983 813 D CB -0.018 40.785 40.800 0.004 0.000 1.126 813 D HN 0.103 nan 8.370 nan 0.000 0.543 814 L N 3.883 125.105 121.223 -0.002 0.000 2.476 814 L HA 0.141 4.490 4.340 0.015 0.000 0.264 814 L C 1.094 177.962 176.870 -0.004 0.000 1.224 814 L CA 0.663 55.501 54.840 -0.003 0.000 0.821 814 L CB 0.631 42.688 42.059 -0.003 0.000 1.101 814 L HN 0.751 nan 8.230 nan 0.000 0.488 815 D N 1.858 122.255 120.400 -0.004 0.000 3.076 815 D HA -0.305 4.344 4.640 0.015 0.000 0.218 815 D C 0.877 177.175 176.300 -0.004 0.000 1.156 815 D CA 1.419 55.416 54.000 -0.005 0.000 0.921 815 D CB -1.280 39.516 40.800 -0.006 0.000 1.113 815 D HN 0.738 nan 8.370 nan 0.000 0.418 816 I N -0.263 120.305 120.570 -0.003 0.000 2.614 816 I HA -0.128 4.051 4.170 0.015 0.000 0.258 816 I C 1.491 177.604 176.117 -0.007 0.000 1.189 816 I CA 0.809 62.108 61.300 -0.002 0.000 1.462 816 I CB -0.031 37.969 38.000 -0.000 0.000 1.092 816 I HN 0.109 nan 8.210 nan 0.000 0.442 817 M N -0.345 119.249 119.600 -0.009 0.000 2.673 817 M HA 0.179 4.669 4.480 0.015 0.000 0.334 817 M C -0.055 176.239 176.300 -0.011 0.000 1.211 817 M CA 0.285 55.578 55.300 -0.012 0.000 0.962 817 M CB -0.040 32.553 32.600 -0.013 0.000 1.343 817 M HN 0.066 nan 8.290 nan 0.000 0.511 818 D N 0.991 121.386 120.400 -0.009 0.000 2.449 818 D HA 0.133 4.782 4.640 0.015 0.000 0.210 818 D C 0.740 177.035 176.300 -0.009 0.000 1.094 818 D CA 0.265 54.260 54.000 -0.009 0.000 0.846 818 D CB 1.124 41.920 40.800 -0.007 0.000 1.003 818 D HN 0.424 nan 8.370 nan 0.000 0.504 819 R N 0.822 121.316 120.500 -0.010 0.000 2.643 819 R HA 0.650 4.999 4.340 0.015 0.000 0.272 819 R C -2.775 173.515 176.300 -0.017 0.000 0.995 819 R CA -1.604 54.489 56.100 -0.011 0.000 1.032 819 R CB 0.143 30.438 30.300 -0.008 0.000 1.126 819 R HN -0.320 nan 8.270 nan 0.000 0.505 820 P HA 0.136 nan 4.420 nan 0.000 0.271 820 P C -2.431 174.847 177.300 -0.036 0.000 1.244 820 P CA -1.048 62.037 63.100 -0.024 0.000 0.793 820 P CB -0.152 31.536 31.700 -0.021 0.000 0.984 821 P HA 0.099 nan 4.420 nan 0.000 0.268 821 P C -0.308 176.948 177.300 -0.072 0.000 1.204 821 P CA -0.027 63.034 63.100 -0.065 0.000 0.768 821 P CB 0.246 31.911 31.700 -0.058 0.000 0.842 822 R N 1.158 121.591 120.500 -0.112 0.000 2.734 822 R HA 0.293 4.642 4.340 0.015 0.000 0.266 822 R C 0.422 176.667 176.300 -0.091 0.000 1.044 822 R CA -0.444 55.590 56.100 -0.110 0.000 1.128 822 R CB -0.152 30.026 30.300 -0.205 0.000 1.010 822 R HN 0.322 nan 8.270 nan 0.000 0.461 823 S N 1.244 116.913 115.700 -0.052 0.000 2.585 823 S HA 0.160 4.639 4.470 0.015 0.000 0.273 823 S C -1.580 172.996 174.600 -0.041 0.000 1.339 823 S CA -1.551 56.630 58.200 -0.032 0.000 1.028 823 S CB 0.772 63.968 63.200 -0.005 0.000 0.906 823 S HN 0.648 nan 8.310 nan 0.000 0.528 824 P HA 0.117 nan 4.420 nan 0.000 0.226 824 P C 0.190 177.496 177.300 0.010 0.000 1.161 824 P CA 0.708 63.798 63.100 -0.018 0.000 0.804 824 P CB 0.132 31.826 31.700 -0.010 0.000 0.829 825 K N 0.712 121.122 120.400 0.016 0.000 2.665 825 K HA 0.070 4.399 4.320 0.015 0.000 0.214 825 K C 0.361 176.982 176.600 0.036 0.000 1.032 825 K CA 0.100 56.403 56.287 0.027 0.000 1.198 825 K CB -0.225 32.291 32.500 0.026 0.000 0.941 825 K HN 0.360 nan 8.250 nan 0.000 0.491 826 E N 2.510 122.733 120.200 0.038 0.000 2.229 826 E HA 0.160 4.519 4.350 0.015 0.000 0.283 826 E C -2.361 174.290 176.600 0.085 0.000 1.030 826 E CA -2.086 54.348 56.400 0.057 0.000 0.836 826 E CB 0.857 30.588 29.700 0.051 0.000 1.068 826 E HN -0.060 nan 8.360 nan 0.000 0.401 827 P HA 0.060 nan 4.420 nan 0.000 0.280 827 P C 0.191 177.568 177.300 0.128 0.000 1.244 827 P CA -0.231 62.934 63.100 0.108 0.000 0.784 827 P CB 0.780 32.538 31.700 0.097 0.000 0.913 828 L N 1.841 123.144 121.223 0.134 0.000 2.071 828 L HA 0.204 4.554 4.340 0.015 0.000 0.201 828 L C 0.787 177.740 176.870 0.137 0.000 1.076 828 L CA 1.168 56.072 54.840 0.107 0.000 0.755 828 L CB -0.859 41.225 42.059 0.042 0.000 0.915 828 L HN 0.115 nan 8.230 nan 0.000 0.445 829 I N 2.030 122.720 120.570 0.199 0.000 2.474 829 I HA 0.220 4.400 4.170 0.015 0.000 0.287 829 I C 0.216 176.466 176.117 0.222 0.000 1.048 829 I CA 0.092 61.559 61.300 0.279 0.000 1.383 829 I CB 0.651 38.908 38.000 0.430 0.000 1.412 829 I HN 0.415 nan 8.210 nan 0.000 0.531 830 S N 3.589 119.430 115.700 0.235 0.000 2.638 830 S HA 0.499 4.978 4.470 0.015 0.000 0.298 830 S C 1.244 175.983 174.600 0.232 0.000 1.111 830 S CA -0.416 57.911 58.200 0.212 0.000 1.027 830 S CB 1.533 64.873 63.200 0.233 0.000 1.064 830 S HN 0.805 nan 8.310 nan 0.000 0.525 831 G N -0.516 108.400 108.800 0.193 0.000 2.516 831 G HA2 -0.205 3.764 3.960 0.015 0.000 0.221 831 G HA3 -0.205 3.764 3.960 0.015 0.000 0.221 831 G C 0.747 175.833 174.900 0.309 0.000 1.107 831 G CA 0.717 45.932 45.100 0.193 0.000 0.747 831 G HN 0.850 nan 8.290 nan 0.000 0.567 832 W N -0.910 120.472 121.300 0.138 0.000 2.873 832 W HA 0.451 5.121 4.660 0.017 0.000 0.282 832 W C 1.722 178.364 176.519 0.206 0.000 1.118 832 W CA -0.359 57.075 57.345 0.147 0.000 1.480 832 W CB 0.160 29.645 29.460 0.041 0.000 0.954 832 W HN 0.019 nan 8.180 nan 0.000 0.591 833 L N 0.407 121.760 121.223 0.215 0.000 2.156 833 L HA 0.028 4.377 4.340 0.015 0.000 0.208 833 L C 2.198 179.010 176.870 -0.097 0.000 1.095 833 L CA 1.662 56.522 54.840 0.033 0.000 0.770 833 L CB -1.080 41.109 42.059 0.218 0.000 0.914 833 L HN 0.090 nan 8.230 nan 0.000 0.439 834 F N -0.896 118.939 119.950 -0.192 0.000 2.171 834 F HA -0.255 4.280 4.527 0.013 0.000 0.300 834 F C 2.169 177.664 175.800 -0.508 0.000 1.090 834 F CA 1.508 59.215 58.000 -0.490 0.000 1.293 834 F CB -0.419 38.468 39.000 -0.188 0.000 1.013 834 F HN 0.179 nan 8.300 nan 0.000 0.486 835 F N 0.689 120.432 119.950 -0.345 0.000 2.365 835 F HA -0.037 4.500 4.527 0.016 0.000 0.300 835 F C 2.237 177.688 175.800 -0.583 0.000 1.090 835 F CA 1.066 58.815 58.000 -0.418 0.000 1.408 835 F CB -0.310 38.532 39.000 -0.264 0.000 1.060 835 F HN -0.188 nan 8.300 nan 0.000 0.534 836 R N -0.485 119.670 120.500 -0.575 0.000 2.052 836 R HA -0.146 4.204 4.340 0.015 0.000 0.224 836 R C 2.236 178.297 176.300 -0.398 0.000 1.165 836 R CA 1.840 57.620 56.100 -0.533 0.000 0.939 836 R CB -1.150 28.838 30.300 -0.520 0.000 0.834 836 R HN 0.528 nan 8.270 nan 0.000 0.435 837 Y N -0.575 119.549 120.300 -0.294 0.000 2.574 837 Y HA 0.039 4.598 4.550 0.016 0.000 0.294 837 Y C 1.751 177.461 175.900 -0.317 0.000 1.142 837 Y CA 0.628 58.584 58.100 -0.239 0.000 1.314 837 Y CB -0.239 38.130 38.460 -0.152 0.000 0.991 837 Y HN -0.042 nan 8.280 nan 0.000 0.555 838 M N 0.356 119.506 119.600 -0.751 0.000 2.388 838 M HA 0.133 4.622 4.480 0.015 0.000 0.265 838 M C 2.284 178.297 176.300 -0.478 0.000 1.088 838 M CA 1.065 55.959 55.300 -0.677 0.000 1.134 838 M CB -0.762 31.192 32.600 -1.076 0.000 1.384 838 M HN 0.547 nan 8.290 nan 0.000 0.447 839 A N 0.661 123.153 122.820 -0.547 0.000 1.872 839 A HA -0.092 4.237 4.320 0.015 0.000 0.214 839 A C 2.040 179.502 177.584 -0.203 0.000 1.187 839 A CA 1.080 52.847 52.037 -0.449 0.000 0.614 839 A CB -0.380 18.266 19.000 -0.589 0.000 0.826 839 A HN 0.266 nan 8.150 nan 0.000 0.442 840 I N 0.120 120.598 120.570 -0.153 0.000 2.162 840 I HA -0.107 4.072 4.170 0.015 0.000 0.238 840 I C 2.762 178.898 176.117 0.032 0.000 1.076 840 I CA 1.368 62.651 61.300 -0.027 0.000 1.353 840 I CB -1.866 36.121 38.000 -0.021 0.000 1.063 840 I HN 0.325 nan 8.210 nan 0.000 0.408 841 G N 0.421 109.219 108.800 -0.003 0.000 2.545 841 G HA2 -0.294 3.675 3.960 0.015 0.000 0.222 841 G HA3 -0.294 3.675 3.960 0.015 0.000 0.222 841 G C 1.716 176.611 174.900 -0.010 0.000 1.126 841 G CA 1.181 46.281 45.100 0.000 0.000 0.754 841 G HN 0.527 nan 8.290 nan 0.000 0.583 842 G N -0.223 108.554 108.800 -0.038 0.000 2.404 842 G HA2 -0.216 3.753 3.960 0.015 0.000 0.215 842 G HA3 -0.216 3.753 3.960 0.015 0.000 0.215 842 G C 1.534 176.445 174.900 0.018 0.000 1.174 842 G CA 1.169 46.252 45.100 -0.028 0.000 0.780 842 G HN 0.461 nan 8.290 nan 0.000 0.537 843 Y N 1.967 122.232 120.300 -0.059 0.000 2.014 843 Y HA -0.275 4.284 4.550 0.015 0.000 0.270 843 Y C 2.953 178.843 175.900 -0.018 0.000 1.145 843 Y CA 3.018 61.098 58.100 -0.034 0.000 1.106 843 Y CB -0.874 37.565 38.460 -0.035 0.000 0.968 843 Y HN 0.164 nan 8.280 nan 0.000 0.484 844 V N 0.148 120.036 119.914 -0.043 0.000 2.380 844 V HA -0.216 3.913 4.120 0.015 0.000 0.251 844 V C 2.293 178.288 176.094 -0.164 0.000 1.063 844 V CA 2.309 64.516 62.300 -0.155 0.000 1.055 844 V CB -1.912 29.932 31.823 0.035 0.000 0.657 844 V HN 0.584 nan 8.190 nan 0.000 0.455 845 G N 0.112 108.859 108.800 -0.089 0.000 2.476 845 G HA2 -0.255 3.715 3.960 0.015 0.000 0.218 845 G HA3 -0.255 3.715 3.960 0.015 0.000 0.218 845 G C 1.774 176.630 174.900 -0.073 0.000 1.164 845 G CA 1.714 46.783 45.100 -0.052 0.000 0.768 845 G HN 1.041 nan 8.290 nan 0.000 0.560 846 A N 0.996 123.744 122.820 -0.119 0.000 1.898 846 A HA 0.341 4.671 4.320 0.015 0.000 0.216 846 A C 2.798 180.279 177.584 -0.171 0.000 1.181 846 A CA 2.125 54.093 52.037 -0.115 0.000 0.620 846 A CB -0.736 18.194 19.000 -0.116 0.000 0.819 846 A HN 0.890 nan 8.150 nan 0.000 0.442 847 A N -0.353 122.265 122.820 -0.337 0.000 2.070 847 A HA -0.058 4.271 4.320 0.015 0.000 0.220 847 A C 2.287 179.774 177.584 -0.161 0.000 1.159 847 A CA 2.301 54.138 52.037 -0.334 0.000 0.656 847 A CB -0.990 17.671 19.000 -0.565 0.000 0.800 847 A HN 0.752 nan 8.150 nan 0.000 0.453 848 T N -3.095 111.390 114.554 -0.116 0.000 3.051 848 T HA 0.063 4.422 4.350 0.015 0.000 0.255 848 T C 1.575 176.263 174.700 -0.020 0.000 1.085 848 T CA 0.994 63.057 62.100 -0.062 0.000 1.109 848 T CB -0.449 68.388 68.868 -0.051 0.000 0.921 848 T HN 0.688 nan 8.240 nan 0.000 0.488 849 V N -0.406 119.503 119.914 -0.007 0.000 2.951 849 V HA 0.448 4.577 4.120 0.015 0.000 0.255 849 V C 2.190 178.323 176.094 0.064 0.000 1.088 849 V CA 1.094 63.419 62.300 0.041 0.000 1.109 849 V CB -1.062 30.791 31.823 0.050 0.000 0.724 849 V HN 0.473 nan 8.190 nan 0.000 0.471 850 G N -0.685 108.132 108.800 0.028 0.000 3.314 850 G HA2 0.486 4.455 3.960 0.015 0.000 0.238 850 G HA3 0.486 4.455 3.960 0.015 0.000 0.238 850 G C 0.934 175.883 174.900 0.082 0.000 1.184 850 G CA 0.591 45.727 45.100 0.060 0.000 0.806 850 G HN 0.898 nan 8.290 nan 0.000 0.536 851 A N -0.724 122.136 122.820 0.068 0.000 2.551 851 A HA 0.714 5.044 4.320 0.015 0.000 0.252 851 A C 1.989 179.635 177.584 0.103 0.000 1.199 851 A CA 1.062 53.159 52.037 0.100 0.000 0.972 851 A CB 0.257 19.253 19.000 -0.006 0.000 1.153 851 A HN 0.393 nan 8.150 nan 0.000 0.559 852 A N -0.219 122.647 122.820 0.077 0.000 2.030 852 A HA 0.518 4.847 4.320 0.015 0.000 0.215 852 A C 1.705 179.367 177.584 0.130 0.000 1.164 852 A CA 1.158 53.227 52.037 0.054 0.000 0.697 852 A CB -0.299 18.771 19.000 0.116 0.000 0.827 852 A HN 1.037 nan 8.150 nan 0.000 0.457 853 A N -2.717 120.230 122.820 0.211 0.000 2.797 853 A HA 0.415 4.744 4.320 0.015 0.000 0.287 853 A C 0.507 178.271 177.584 0.298 0.000 1.369 853 A CA 0.046 52.243 52.037 0.265 0.000 0.968 853 A CB -0.892 18.240 19.000 0.221 0.000 1.069 853 A HN 0.822 nan 8.150 nan 0.000 0.571 854 W N -2.920 118.416 121.300 0.061 0.000 1.526 854 W HA 0.300 4.968 4.660 0.014 0.000 0.218 854 W C 0.204 176.752 176.519 0.048 0.000 0.797 854 W CA -0.524 56.872 57.345 0.085 0.000 0.997 854 W CB 0.008 29.526 29.460 0.098 0.000 0.926 854 W HN 0.356 nan 8.180 nan 0.000 0.483 855 W N 1.588 122.730 121.300 -0.263 0.000 3.223 855 W HA 0.317 4.987 4.660 0.017 0.000 0.389 855 W C 0.239 176.328 176.519 -0.718 0.000 1.118 855 W CA 0.362 57.373 57.345 -0.558 0.000 1.902 855 W CB -0.236 28.894 29.460 -0.550 0.000 1.094 855 W HN -0.085 nan 8.180 nan 0.000 0.666 856 F N -2.086 117.823 119.950 -0.068 0.000 1.939 856 F HA 0.090 4.625 4.527 0.014 0.000 0.225 856 F C 2.280 177.946 175.800 -0.224 0.000 1.213 856 F CA -0.344 57.570 58.000 -0.144 0.000 1.303 856 F CB -0.630 38.398 39.000 0.047 0.000 1.808 856 F HN -0.450 nan 8.300 nan 0.000 0.329 857 M N -0.087 119.526 119.600 0.022 0.000 2.192 857 M HA -0.233 4.256 4.480 0.015 0.000 0.259 857 M C 0.352 176.291 176.300 -0.602 0.000 1.071 857 M CA 2.227 57.328 55.300 -0.331 0.000 1.082 857 M CB -0.270 32.098 32.600 -0.387 0.000 1.373 857 M HN 0.339 nan 8.290 nan 0.000 0.408 858 Y N -1.536 118.600 120.300 -0.275 0.000 2.738 858 Y HA 0.390 4.949 4.550 0.015 0.000 0.249 858 Y C 0.611 176.121 175.900 -0.649 0.000 1.153 858 Y CA -1.010 56.878 58.100 -0.354 0.000 1.165 858 Y CB -0.213 38.154 38.460 -0.156 0.000 1.235 858 Y HN -0.004 nan 8.280 nan 0.000 0.559 859 A N 1.069 123.578 122.820 -0.518 0.000 3.132 859 A HA -0.050 4.279 4.320 0.015 0.000 0.288 859 A C 1.426 178.633 177.584 -0.628 0.000 1.959 859 A CA 0.411 52.004 52.037 -0.740 0.000 1.374 859 A CB -0.263 18.321 19.000 -0.694 0.000 0.918 859 A HN 0.423 nan 8.150 nan 0.000 0.594 860 E N 1.145 120.921 120.200 -0.706 0.000 2.171 860 E HA -0.242 4.117 4.350 0.015 0.000 0.197 860 E C 1.033 177.481 176.600 -0.254 0.000 0.997 860 E CA 1.888 58.073 56.400 -0.358 0.000 0.810 860 E CB 0.130 29.704 29.700 -0.211 0.000 0.738 860 E HN 0.969 nan 8.360 nan 0.000 0.467 861 D N -0.289 119.921 120.400 -0.317 0.000 2.949 861 D HA 0.094 4.744 4.640 0.015 0.000 0.247 861 D C 1.007 177.148 176.300 -0.264 0.000 1.552 861 D CA 0.751 54.634 54.000 -0.195 0.000 1.231 861 D CB -0.321 40.433 40.800 -0.078 0.000 0.990 861 D HN 0.036 nan 8.370 nan 0.000 0.270 862 G N -0.573 108.018 108.800 -0.348 0.000 2.588 862 G HA2 0.385 4.354 3.960 0.015 0.000 0.278 862 G HA3 0.385 4.354 3.960 0.015 0.000 0.278 862 G C -2.201 172.253 174.900 -0.744 0.000 1.307 862 G CA -0.917 43.931 45.100 -0.419 0.000 1.016 862 G HN 0.225 nan 8.290 nan 0.000 0.503 863 P HA 0.007 nan 4.420 nan 0.000 0.198 863 P C 0.413 177.402 177.300 -0.518 0.000 0.910 863 P CA 0.698 63.486 63.100 -0.521 0.000 1.202 863 P CB -0.417 31.036 31.700 -0.412 0.000 1.231 864 G N 1.834 110.409 108.800 -0.376 0.000 2.377 864 G HA2 0.501 4.471 3.960 0.015 0.000 0.299 864 G HA3 0.501 4.471 3.960 0.015 0.000 0.299 864 G C -0.251 174.583 174.900 -0.109 0.000 1.150 864 G CA -0.536 44.404 45.100 -0.265 0.000 0.847 864 G HN 0.349 nan 8.290 nan 0.000 0.501 865 V N 0.016 119.931 119.914 0.002 0.000 2.462 865 V HA 0.445 4.574 4.120 0.015 0.000 0.257 865 V C 0.222 176.427 176.094 0.185 0.000 0.944 865 V CA -0.506 61.941 62.300 0.246 0.000 0.903 865 V CB 0.209 32.062 31.823 0.050 0.000 1.128 865 V HN 0.762 nan 8.190 nan 0.000 0.486 866 T N 3.312 117.797 114.554 -0.116 0.000 2.829 866 T HA 0.303 4.662 4.350 0.015 0.000 0.293 866 T C 0.340 174.804 174.700 -0.395 0.000 0.970 866 T CA 1.144 63.018 62.100 -0.375 0.000 1.168 866 T CB -0.571 68.104 68.868 -0.321 0.000 0.911 866 T HN 1.077 nan 8.240 nan 0.000 0.535 867 Y N 2.208 122.329 120.300 -0.297 0.000 4.177 867 Y HA -0.200 4.359 4.550 0.016 0.000 0.227 867 Y C 0.777 176.537 175.900 -0.234 0.000 1.154 867 Y CA 0.543 58.502 58.100 -0.236 0.000 1.887 867 Y CB -2.791 35.531 38.460 -0.230 0.000 1.594 867 Y HN 0.747 nan 8.280 nan 0.000 0.668 868 H N 1.062 120.094 119.070 -0.064 0.000 2.690 868 H HA 0.225 4.791 4.556 0.015 0.000 0.314 868 H C 0.619 175.989 175.328 0.070 0.000 1.069 868 H CA -0.444 55.509 56.048 -0.158 0.000 1.436 868 H CB 1.152 30.723 29.762 -0.319 0.000 1.462 868 H HN 0.185 nan 8.280 nan 0.000 0.511 869 Q N 4.043 124.108 119.800 0.441 0.000 2.426 869 Q HA 0.004 4.354 4.340 0.015 0.000 0.253 869 Q C 0.175 176.311 176.000 0.226 0.000 1.313 869 Q CA 0.106 56.095 55.803 0.309 0.000 0.902 869 Q CB -0.724 28.131 28.738 0.196 0.000 1.563 869 Q HN 0.531 nan 8.270 nan 0.000 0.517 870 L N 2.836 124.126 121.223 0.112 0.000 2.862 870 L HA 0.055 4.405 4.340 0.015 0.000 0.240 870 L C 1.258 177.857 176.870 -0.452 0.000 1.283 870 L CA 0.300 55.093 54.840 -0.078 0.000 1.117 870 L CB -1.047 41.205 42.059 0.321 0.000 1.444 870 L HN 0.631 nan 8.230 nan 0.000 0.456 871 T N -4.367 109.990 114.554 -0.328 0.000 2.904 871 T HA -0.107 4.252 4.350 0.015 0.000 0.267 871 T C 0.851 175.246 174.700 -0.508 0.000 1.059 871 T CA 0.926 62.820 62.100 -0.344 0.000 1.137 871 T CB -0.005 68.731 68.868 -0.221 0.000 0.879 871 T HN 0.402 nan 8.240 nan 0.000 0.467 872 H N -1.273 117.329 119.070 -0.781 0.000 2.797 872 H HA 0.471 5.036 4.556 0.015 0.000 0.372 872 H C -0.852 173.819 175.328 -1.097 0.000 1.168 872 H CA -1.123 54.450 56.048 -0.791 0.000 1.163 872 H CB 1.638 31.142 29.762 -0.430 0.000 1.778 872 H HN 0.109 nan 8.280 nan 0.000 0.551 873 F N 1.152 120.712 119.950 -0.651 0.000 2.915 873 F HA 0.092 4.628 4.527 0.014 0.000 0.347 873 F C 1.569 177.077 175.800 -0.487 0.000 1.104 873 F CA -0.228 57.312 58.000 -0.767 0.000 1.126 873 F CB 0.083 38.517 39.000 -0.943 0.000 1.145 873 F HN 0.390 nan 8.300 nan 0.000 0.541 874 M N 1.270 120.490 119.600 -0.634 0.000 2.492 874 M HA -0.070 4.419 4.480 0.015 0.000 0.262 874 M C 2.281 178.463 176.300 -0.198 0.000 1.090 874 M CA 1.470 56.518 55.300 -0.420 0.000 1.110 874 M CB -0.481 31.788 32.600 -0.553 0.000 1.407 874 M HN 0.292 nan 8.290 nan 0.000 0.470 875 Q N -1.037 118.655 119.800 -0.180 0.000 2.443 875 Q HA -0.205 4.145 4.340 0.015 0.000 0.213 875 Q C 2.105 178.135 176.000 0.050 0.000 0.982 875 Q CA 1.499 57.314 55.803 0.020 0.000 0.894 875 Q CB -1.423 27.318 28.738 0.004 0.000 0.947 875 Q HN 0.644 nan 8.270 nan 0.000 0.480 876 c N 1.255 119.903 118.600 0.080 0.000 2.385 876 c HA -0.213 4.366 4.570 0.015 0.000 0.275 876 c C 2.591 176.723 174.090 0.069 0.000 1.207 876 c CA 1.873 58.270 56.329 0.114 0.000 1.760 876 c CB -1.168 41.423 42.510 0.135 0.000 2.051 876 c HN 0.734 nan 8.230 nan 0.000 0.467 877 T N 0.491 115.077 114.554 0.054 0.000 2.821 877 T HA -0.149 4.210 4.350 0.015 0.000 0.267 877 T C 0.688 175.424 174.700 0.060 0.000 1.046 877 T CA 1.520 63.648 62.100 0.047 0.000 1.139 877 T CB -0.380 68.510 68.868 0.037 0.000 0.871 877 T HN 0.894 nan 8.240 nan 0.000 0.454 878 E N 1.937 122.187 120.200 0.083 0.000 2.136 878 E HA 0.210 4.570 4.350 0.015 0.000 0.246 878 E C -1.155 175.521 176.600 0.126 0.000 1.017 878 E CA -0.423 56.059 56.400 0.136 0.000 0.883 878 E CB 0.166 29.990 29.700 0.207 0.000 1.199 878 E HN 0.069 nan 8.360 nan 0.000 0.447 879 D N 2.752 123.217 120.400 0.107 0.000 2.688 879 D HA 0.009 4.658 4.640 0.015 0.000 0.228 879 D C 0.341 176.747 176.300 0.177 0.000 1.116 879 D CA 0.224 54.288 54.000 0.107 0.000 1.023 879 D CB 0.216 41.078 40.800 0.104 0.000 1.100 879 D HN 0.732 nan 8.370 nan 0.000 0.487 880 H N -1.220 117.924 119.070 0.125 0.000 2.501 880 H HA 0.205 4.770 4.556 0.015 0.000 0.281 880 H C -1.092 174.344 175.328 0.180 0.000 0.988 880 H CA 0.066 56.210 56.048 0.160 0.000 1.232 880 H CB -1.130 28.679 29.762 0.078 0.000 1.455 880 H HN 0.033 nan 8.280 nan 0.000 0.501 881 P HA -0.036 nan 4.420 nan 0.000 0.216 881 P C -0.388 176.839 177.300 -0.121 0.000 1.153 881 P CA 1.338 64.219 63.100 -0.364 0.000 0.844 881 P CB 0.091 31.416 31.700 -0.626 0.000 0.787 882 H N -2.190 116.851 119.070 -0.049 0.000 2.505 882 H HA 0.271 4.836 4.556 0.015 0.000 0.338 882 H C 0.652 176.079 175.328 0.165 0.000 1.057 882 H CA -0.890 55.165 56.048 0.012 0.000 1.202 882 H CB 1.198 30.924 29.762 -0.059 0.000 1.466 882 H HN -0.065 nan 8.280 nan 0.000 0.499 883 F N 1.010 121.039 119.950 0.132 0.000 1.995 883 F HA -0.127 4.409 4.527 0.015 0.000 0.290 883 F C 0.911 176.728 175.800 0.029 0.000 1.441 883 F CA -0.372 57.669 58.000 0.069 0.000 1.155 883 F CB 0.107 39.143 39.000 0.060 0.000 1.108 883 F HN 0.514 nan 8.300 nan 0.000 0.540 884 E N 1.224 121.576 120.200 0.253 0.000 2.272 884 E HA -0.173 4.186 4.350 0.015 0.000 0.160 884 E C -0.122 176.507 176.600 0.048 0.000 1.627 884 E CA 0.523 56.975 56.400 0.087 0.000 0.641 884 E CB -1.654 28.042 29.700 -0.007 0.000 1.060 884 E HN 0.654 nan 8.360 nan 0.000 0.324 885 G N 0.155 108.983 108.800 0.047 0.000 2.580 885 G HA2 0.359 4.328 3.960 0.015 0.000 0.278 885 G HA3 0.359 4.328 3.960 0.015 0.000 0.278 885 G C 0.906 175.804 174.900 -0.004 0.000 1.212 885 G CA -0.018 45.094 45.100 0.020 0.000 0.939 885 G HN 0.673 nan 8.290 nan 0.000 0.513 886 L N -0.971 120.247 121.223 -0.009 0.000 4.625 886 L HA -0.236 4.113 4.340 0.015 0.000 0.428 886 L C 1.325 178.174 176.870 -0.035 0.000 1.129 886 L CA 2.229 57.058 54.840 -0.019 0.000 0.978 886 L CB -1.107 40.942 42.059 -0.016 0.000 2.043 886 L HN 0.806 nan 8.230 nan 0.000 0.847 887 D N -1.572 118.798 120.400 -0.050 0.000 2.389 887 D HA 0.060 4.709 4.640 0.015 0.000 0.206 887 D C 1.212 177.441 176.300 -0.118 0.000 1.055 887 D CA 0.486 54.432 54.000 -0.090 0.000 0.856 887 D CB -0.755 39.974 40.800 -0.117 0.000 0.957 887 D HN 0.479 nan 8.370 nan 0.000 0.509 888 c N 1.911 120.465 118.600 -0.077 0.000 2.133 888 c HA -0.079 4.500 4.570 0.015 0.000 0.391 888 c C 1.326 175.364 174.090 -0.087 0.000 1.507 888 c CA 1.578 57.870 56.329 -0.062 0.000 1.498 888 c CB -1.471 41.034 42.510 -0.007 0.000 2.583 888 c HN 0.774 nan 8.230 nan 0.000 0.570 889 E N 2.637 122.783 120.200 -0.091 0.000 3.303 889 E HA -0.175 4.184 4.350 0.015 0.000 0.302 889 E C 0.629 177.161 176.600 -0.112 0.000 0.902 889 E CA 0.715 57.088 56.400 -0.045 0.000 1.042 889 E CB -0.848 28.851 29.700 -0.002 0.000 1.528 889 E HN 0.815 nan 8.360 nan 0.000 0.424 890 I N 0.358 120.745 120.570 -0.305 0.000 3.291 890 I HA -0.079 4.101 4.170 0.015 0.000 0.279 890 I C 1.476 177.524 176.117 -0.115 0.000 1.294 890 I CA 0.726 61.910 61.300 -0.193 0.000 1.428 890 I CB -0.747 37.112 38.000 -0.235 0.000 1.070 890 I HN 0.176 nan 8.210 nan 0.000 0.478 891 F N 1.409 121.319 119.950 -0.067 0.000 2.325 891 F HA -0.092 4.444 4.527 0.015 0.000 0.299 891 F C 2.106 177.859 175.800 -0.078 0.000 1.090 891 F CA 0.736 58.606 58.000 -0.216 0.000 1.392 891 F CB -0.608 38.077 39.000 -0.524 0.000 1.053 891 F HN 0.167 nan 8.300 nan 0.000 0.521 892 E N 0.466 120.730 120.200 0.108 0.000 2.445 892 E HA 0.229 4.588 4.350 0.015 0.000 0.189 892 E C 0.652 177.265 176.600 0.022 0.000 1.069 892 E CA -0.157 56.277 56.400 0.057 0.000 0.871 892 E CB -0.044 29.681 29.700 0.041 0.000 0.991 892 E HN 0.207 nan 8.360 nan 0.000 0.481 893 A N 2.154 124.999 122.820 0.043 0.000 2.511 893 A HA 0.108 4.437 4.320 0.015 0.000 0.242 893 A C -1.568 175.900 177.584 -0.194 0.000 1.069 893 A CA -1.038 50.969 52.037 -0.051 0.000 0.763 893 A CB 0.241 19.252 19.000 0.018 0.000 1.001 893 A HN -0.059 nan 8.150 nan 0.000 0.498 894 P HA -0.135 nan 4.420 nan 0.000 0.218 894 P C 0.851 177.925 177.300 -0.377 0.000 1.148 894 P CA 1.538 64.500 63.100 -0.229 0.000 0.822 894 P CB 0.211 31.808 31.700 -0.172 0.000 0.784 895 E N -0.602 119.233 120.200 -0.607 0.000 2.107 895 E HA -0.096 4.263 4.350 0.015 0.000 0.191 895 E C -0.715 175.259 176.600 -1.042 0.000 0.982 895 E CA 1.091 56.990 56.400 -0.835 0.000 0.809 895 E CB -1.646 27.507 29.700 -0.912 0.000 0.756 895 E HN 0.428 nan 8.360 nan 0.000 0.459 896 P HA -0.098 nan 4.420 nan 0.000 0.226 896 P C 1.032 178.109 177.300 -0.371 0.000 1.153 896 P CA 1.197 63.830 63.100 -0.777 0.000 0.777 896 P CB 0.133 31.494 31.700 -0.566 0.000 0.794 897 M N -2.180 117.224 119.600 -0.327 0.000 2.545 897 M HA 0.014 4.503 4.480 0.015 0.000 0.264 897 M C 1.646 177.838 176.300 -0.179 0.000 1.155 897 M CA 1.154 56.347 55.300 -0.178 0.000 1.162 897 M CB -0.188 32.333 32.600 -0.132 0.000 1.330 897 M HN -0.198 nan 8.290 nan 0.000 0.479 898 T N 0.571 114.971 114.554 -0.257 0.000 2.867 898 T HA -0.079 4.280 4.350 0.015 0.000 0.268 898 T C 1.734 176.278 174.700 -0.260 0.000 1.057 898 T CA 0.972 62.925 62.100 -0.246 0.000 1.136 898 T CB 0.039 68.721 68.868 -0.310 0.000 0.874 898 T HN 0.246 nan 8.240 nan 0.000 0.466 899 M N 0.909 120.347 119.600 -0.270 0.000 2.123 899 M HA 0.114 4.604 4.480 0.015 0.000 0.263 899 M C 2.839 179.046 176.300 -0.155 0.000 1.069 899 M CA 1.206 56.376 55.300 -0.218 0.000 1.133 899 M CB -1.397 31.125 32.600 -0.130 0.000 1.356 899 M HN 0.281 nan 8.290 nan 0.000 0.415 900 A N 0.468 123.217 122.820 -0.119 0.000 1.883 900 A HA -0.207 4.122 4.320 0.015 0.000 0.217 900 A C 2.284 179.820 177.584 -0.080 0.000 1.186 900 A CA 1.853 53.844 52.037 -0.078 0.000 0.624 900 A CB -1.124 17.846 19.000 -0.049 0.000 0.822 900 A HN 0.528 nan 8.150 nan 0.000 0.444 901 L N -0.749 120.423 121.223 -0.086 0.000 2.056 901 L HA -0.099 4.250 4.340 0.015 0.000 0.207 901 L C 2.381 179.170 176.870 -0.135 0.000 1.078 901 L CA 2.122 56.918 54.840 -0.073 0.000 0.749 901 L CB -0.225 41.815 42.059 -0.032 0.000 0.901 901 L HN 0.280 nan 8.230 nan 0.000 0.433 902 S N -0.762 114.838 115.700 -0.166 0.000 2.423 902 S HA -0.098 4.382 4.470 0.015 0.000 0.231 902 S C 1.827 176.358 174.600 -0.115 0.000 1.014 902 S CA 1.145 59.220 58.200 -0.209 0.000 0.965 902 S CB -0.075 62.923 63.200 -0.337 0.000 0.785 902 S HN 0.345 nan 8.310 nan 0.000 0.495 903 V N 1.439 121.292 119.914 -0.102 0.000 2.548 903 V HA -0.058 4.071 4.120 0.015 0.000 0.249 903 V C 2.086 178.163 176.094 -0.030 0.000 1.055 903 V CA 1.123 63.395 62.300 -0.046 0.000 1.065 903 V CB -0.404 31.380 31.823 -0.065 0.000 0.681 903 V HN 0.369 nan 8.190 nan 0.000 0.462 904 L N -0.379 120.810 121.223 -0.056 0.000 2.044 904 L HA -0.032 4.317 4.340 0.015 0.000 0.205 904 L C 2.350 179.195 176.870 -0.041 0.000 1.075 904 L CA 1.766 56.581 54.840 -0.042 0.000 0.747 904 L CB -0.407 41.627 42.059 -0.041 0.000 0.903 904 L HN 0.096 nan 8.230 nan 0.000 0.435 905 V N -0.514 119.344 119.914 -0.094 0.000 2.287 905 V HA -0.313 3.816 4.120 0.015 0.000 0.248 905 V C 2.449 178.538 176.094 -0.008 0.000 1.053 905 V CA 2.340 64.582 62.300 -0.098 0.000 1.027 905 V CB -1.008 30.615 31.823 -0.333 0.000 0.646 905 V HN 0.543 nan 8.190 nan 0.000 0.447 906 T N -0.117 114.451 114.554 0.023 0.000 2.867 906 T HA -0.014 4.345 4.350 0.015 0.000 0.268 906 T C 1.718 176.470 174.700 0.088 0.000 1.057 906 T CA 1.346 63.502 62.100 0.094 0.000 1.136 906 T CB -0.171 68.791 68.868 0.157 0.000 0.874 906 T HN 0.365 nan 8.240 nan 0.000 0.466 907 I N 0.492 121.105 120.570 0.071 0.000 2.716 907 I HA 0.028 4.207 4.170 0.015 0.000 0.259 907 I C 1.822 177.989 176.117 0.084 0.000 1.172 907 I CA 0.723 62.075 61.300 0.087 0.000 1.478 907 I CB -0.051 38.008 38.000 0.099 0.000 1.104 907 I HN 0.039 nan 8.210 nan 0.000 0.439 908 E N 0.637 120.875 120.200 0.063 0.000 2.416 908 E HA 0.060 4.419 4.350 0.015 0.000 0.189 908 E C 1.405 178.125 176.600 0.199 0.000 1.091 908 E CA 0.359 56.808 56.400 0.081 0.000 0.889 908 E CB 0.394 30.089 29.700 -0.009 0.000 1.015 908 E HN 0.397 nan 8.360 nan 0.000 0.479 909 M N -1.687 118.004 119.600 0.152 0.000 2.393 909 M HA 0.051 4.540 4.480 0.015 0.000 0.270 909 M C 1.692 178.066 176.300 0.124 0.000 1.127 909 M CA 0.330 55.713 55.300 0.138 0.000 1.104 909 M CB -0.105 32.559 32.600 0.106 0.000 1.523 909 M HN 0.119 nan 8.290 nan 0.000 0.546 910 C N 0.193 119.566 119.300 0.122 0.000 2.590 910 C HA 0.141 4.611 4.460 0.015 0.000 0.272 910 C C 2.301 177.361 174.990 0.116 0.000 1.338 910 C CA 0.170 59.248 59.018 0.101 0.000 1.746 910 C CB -1.059 26.732 27.740 0.085 0.000 2.020 910 C HN 0.549 nan 8.230 nan 0.000 0.531 911 N N 2.002 120.799 118.700 0.162 0.000 2.331 911 N HA -0.002 4.747 4.740 0.015 0.000 0.180 911 N C 1.549 177.247 175.510 0.313 0.000 1.019 911 N CA 1.350 54.523 53.050 0.204 0.000 0.881 911 N CB -0.191 38.396 38.487 0.166 0.000 0.972 911 N HN 0.469 nan 8.380 nan 0.000 0.435 912 A N -0.511 122.496 122.820 0.312 0.000 2.252 912 A HA 0.163 4.492 4.320 0.015 0.000 0.207 912 A C 1.638 179.204 177.584 -0.030 0.000 1.194 912 A CA 0.378 52.405 52.037 -0.016 0.000 0.809 912 A CB -0.248 18.664 19.000 -0.147 0.000 0.814 912 A HN 0.337 nan 8.150 nan 0.000 0.482 913 L N -1.937 119.312 121.223 0.044 0.000 2.685 913 L HA 0.146 4.495 4.340 0.015 0.000 0.235 913 L C 1.543 178.429 176.870 0.027 0.000 1.070 913 L CA -0.011 54.844 54.840 0.024 0.000 0.888 913 L CB -0.041 42.043 42.059 0.041 0.000 1.203 913 L HN 0.127 nan 8.230 nan 0.000 0.499 914 N N -0.288 118.444 118.700 0.053 0.000 2.354 914 N HA -0.043 4.706 4.740 0.015 0.000 0.179 914 N C 1.205 176.747 175.510 0.053 0.000 1.021 914 N CA 0.784 53.863 53.050 0.049 0.000 0.887 914 N CB 0.128 38.650 38.487 0.059 0.000 0.974 914 N HN 0.043 nan 8.380 nan 0.000 0.437 915 S N 0.801 116.544 115.700 0.073 0.000 2.618 915 S HA 0.165 4.645 4.470 0.015 0.000 0.242 915 S C 1.081 175.678 174.600 -0.004 0.000 0.972 915 S CA -0.305 57.934 58.200 0.064 0.000 1.004 915 S CB 0.048 63.346 63.200 0.164 0.000 0.778 915 S HN 0.118 nan 8.310 nan 0.000 0.459 916 L N 0.969 122.186 121.223 -0.010 0.000 2.612 916 L HA 0.412 4.761 4.340 0.015 0.000 0.230 916 L C 0.506 177.362 176.870 -0.023 0.000 1.140 916 L CA 0.311 55.136 54.840 -0.026 0.000 0.896 916 L CB -0.173 41.866 42.059 -0.033 0.000 1.065 916 L HN 0.260 nan 8.230 nan 0.000 0.447 917 S N -2.555 113.140 115.700 -0.008 0.000 2.806 917 S HA 0.255 4.734 4.470 0.015 0.000 0.294 917 S C 0.140 174.749 174.600 0.016 0.000 1.239 917 S CA 0.135 58.331 58.200 -0.007 0.000 1.052 917 S CB 0.378 63.565 63.200 -0.022 0.000 1.332 917 S HN 0.283 nan 8.310 nan 0.000 0.516 918 E N 0.211 120.425 120.200 0.023 0.000 2.907 918 E HA 0.197 4.556 4.350 0.015 0.000 0.197 918 E C 1.094 177.738 176.600 0.074 0.000 1.150 918 E CA 0.481 56.916 56.400 0.058 0.000 1.134 918 E CB -0.243 29.497 29.700 0.067 0.000 2.214 918 E HN 0.609 nan 8.360 nan 0.000 0.541 919 N N 0.556 119.294 118.700 0.064 0.000 2.416 919 N HA -0.078 4.671 4.740 0.015 0.000 0.177 919 N C -0.045 175.451 175.510 -0.024 0.000 1.036 919 N CA 0.310 53.388 53.050 0.047 0.000 0.901 919 N CB -0.064 38.443 38.487 0.033 0.000 0.976 919 N HN 0.127 nan 8.380 nan 0.000 0.444 920 Q N 1.519 121.299 119.800 -0.032 0.000 2.262 920 Q HA 0.072 4.421 4.340 0.015 0.000 0.272 920 Q C -0.154 175.801 176.000 -0.075 0.000 1.076 920 Q CA 0.157 55.920 55.803 -0.067 0.000 0.905 920 Q CB 0.840 29.541 28.738 -0.062 0.000 1.182 920 Q HN 0.251 nan 8.270 nan 0.000 0.390 921 S N 2.360 117.992 115.700 -0.113 0.000 2.617 921 S HA 0.254 4.733 4.470 0.015 0.000 0.269 921 S C 1.219 175.762 174.600 -0.095 0.000 1.292 921 S CA -0.602 57.534 58.200 -0.106 0.000 1.010 921 S CB 0.567 63.663 63.200 -0.174 0.000 0.944 921 S HN 0.660 nan 8.310 nan 0.000 0.536 922 L N 3.649 124.833 121.223 -0.064 0.000 2.478 922 L HA 0.034 4.384 4.340 0.015 0.000 0.223 922 L C 2.399 179.236 176.870 -0.055 0.000 1.140 922 L CA 0.454 55.252 54.840 -0.071 0.000 0.842 922 L CB -0.417 41.629 42.059 -0.022 0.000 0.953 922 L HN 0.777 nan 8.230 nan 0.000 0.452 923 M N 0.077 119.657 119.600 -0.033 0.000 2.067 923 M HA -0.238 4.251 4.480 0.015 0.000 0.260 923 M C 2.448 178.731 176.300 -0.028 0.000 1.069 923 M CA 1.868 57.167 55.300 -0.001 0.000 1.117 923 M CB 0.062 32.668 32.600 0.009 0.000 1.334 923 M HN 0.109 nan 8.290 nan 0.000 0.407 924 R N 0.062 120.516 120.500 -0.076 0.000 2.105 924 R HA 0.142 4.491 4.340 0.015 0.000 0.214 924 R C 0.625 176.851 176.300 -0.125 0.000 1.091 924 R CA 0.736 56.787 56.100 -0.082 0.000 1.007 924 R CB -0.077 30.166 30.300 -0.095 0.000 0.912 924 R HN 0.287 nan 8.270 nan 0.000 0.450 925 M N 2.869 122.374 119.600 -0.159 0.000 2.080 925 M HA 0.391 4.880 4.480 0.015 0.000 0.350 925 M C -2.407 173.675 176.300 -0.363 0.000 1.173 925 M CA -2.435 52.733 55.300 -0.220 0.000 1.052 925 M CB 1.162 33.660 32.600 -0.169 0.000 1.577 925 M HN -0.107 nan 8.290 nan 0.000 0.455 926 P HA 0.119 nan 4.420 nan 0.000 0.260 926 P C -2.264 174.509 177.300 -0.878 0.000 1.185 926 P CA -0.634 61.680 63.100 -1.310 0.000 0.763 926 P CB -0.061 30.557 31.700 -1.804 0.000 0.776 927 P HA -0.130 nan 4.420 nan 0.000 0.219 927 P C 0.196 177.466 177.300 -0.049 0.000 1.146 927 P CA 1.069 64.082 63.100 -0.145 0.000 0.808 927 P CB -0.326 31.425 31.700 0.084 0.000 0.779 928 W N -1.261 120.031 121.300 -0.013 0.000 2.564 928 W HA 0.351 5.020 4.660 0.015 0.000 0.447 928 W C 0.340 176.842 176.519 -0.028 0.000 0.701 928 W CA -0.529 56.802 57.345 -0.023 0.000 2.223 928 W CB -1.441 28.003 29.460 -0.026 0.000 0.990 928 W HN -0.296 nan 8.180 nan 0.000 0.698 929 V N 1.569 121.430 119.914 -0.087 0.000 2.326 929 V HA -0.081 4.048 4.120 0.015 0.000 0.237 929 V C 1.178 177.260 176.094 -0.020 0.000 1.044 929 V CA 0.650 62.899 62.300 -0.085 0.000 1.035 929 V CB -0.782 30.969 31.823 -0.119 0.000 0.675 929 V HN 0.217 nan 8.190 nan 0.000 0.470 930 N N 1.154 119.852 118.700 -0.003 0.000 2.416 930 N HA 0.134 4.883 4.740 0.015 0.000 0.271 930 N C 0.742 176.240 175.510 -0.020 0.000 1.245 930 N CA -0.175 52.887 53.050 0.019 0.000 0.940 930 N CB 0.675 39.206 38.487 0.073 0.000 1.175 930 N HN 0.373 nan 8.380 nan 0.000 0.483 931 I N 0.445 120.938 120.570 -0.129 0.000 2.756 931 I HA -0.210 3.969 4.170 0.015 0.000 0.262 931 I C 1.328 177.301 176.117 -0.240 0.000 1.225 931 I CA 1.106 62.265 61.300 -0.236 0.000 1.472 931 I CB -0.076 37.672 38.000 -0.420 0.000 1.094 931 I HN 0.698 nan 8.210 nan 0.000 0.454 932 W N -0.099 121.114 121.300 -0.145 0.000 2.539 932 W HA -0.041 4.629 4.660 0.017 0.000 0.281 932 W C 2.321 178.739 176.519 -0.168 0.000 1.220 932 W CA -0.378 56.816 57.345 -0.251 0.000 1.332 932 W CB 0.078 29.237 29.460 -0.502 0.000 1.095 932 W HN 0.059 nan 8.180 nan 0.000 0.571 933 L N 0.461 121.772 121.223 0.147 0.000 2.093 933 L HA -0.115 4.234 4.340 0.015 0.000 0.208 933 L C 2.002 178.903 176.870 0.052 0.000 1.085 933 L CA 1.783 56.662 54.840 0.066 0.000 0.755 933 L CB -0.959 41.120 42.059 0.034 0.000 0.904 933 L HN 0.003 nan 8.230 nan 0.000 0.435 934 L N -0.888 120.366 121.223 0.052 0.000 1.994 934 L HA -0.138 4.211 4.340 0.015 0.000 0.208 934 L C 2.532 179.434 176.870 0.054 0.000 1.071 934 L CA 1.445 56.310 54.840 0.042 0.000 0.745 934 L CB -1.417 40.654 42.059 0.021 0.000 0.892 934 L HN 0.433 nan 8.230 nan 0.000 0.431 935 G N -0.295 108.555 108.800 0.084 0.000 2.469 935 G HA2 -0.339 3.630 3.960 0.015 0.000 0.219 935 G HA3 -0.339 3.630 3.960 0.015 0.000 0.219 935 G C 1.758 176.717 174.900 0.099 0.000 1.150 935 G CA 1.241 46.417 45.100 0.128 0.000 0.763 935 G HN 0.529 nan 8.290 nan 0.000 0.561 936 S N 0.166 115.913 115.700 0.079 0.000 2.428 936 S HA 0.092 4.571 4.470 0.015 0.000 0.230 936 S C 2.294 176.911 174.600 0.029 0.000 1.014 936 S CA 0.775 58.990 58.200 0.025 0.000 0.957 936 S CB -0.227 62.965 63.200 -0.013 0.000 0.784 936 S HN 0.370 nan 8.310 nan 0.000 0.499 937 I N 0.967 121.561 120.570 0.041 0.000 2.286 937 I HA -0.125 4.054 4.170 0.015 0.000 0.245 937 I C 2.566 178.726 176.117 0.071 0.000 1.104 937 I CA 0.646 61.978 61.300 0.054 0.000 1.397 937 I CB -0.599 37.432 38.000 0.053 0.000 1.072 937 I HN 0.395 nan 8.210 nan 0.000 0.417 938 C N 0.463 119.800 119.300 0.063 0.000 2.413 938 C HA -0.174 4.295 4.460 0.015 0.000 0.277 938 C C 2.762 177.803 174.990 0.084 0.000 1.228 938 C CA 0.660 59.717 59.018 0.066 0.000 1.731 938 C CB -0.885 26.882 27.740 0.044 0.000 2.042 938 C HN 0.478 nan 8.230 nan 0.000 0.468 939 L N 0.561 121.827 121.223 0.071 0.000 2.131 939 L HA -0.086 4.263 4.340 0.015 0.000 0.210 939 L C 2.560 179.489 176.870 0.098 0.000 1.092 939 L CA 1.898 56.783 54.840 0.074 0.000 0.759 939 L CB -0.865 41.221 42.059 0.044 0.000 0.903 939 L HN 0.293 nan 8.230 nan 0.000 0.435 940 S N -1.269 114.483 115.700 0.087 0.000 2.345 940 S HA -0.120 4.360 4.470 0.015 0.000 0.220 940 S C 1.916 176.638 174.600 0.203 0.000 1.031 940 S CA 1.636 59.894 58.200 0.098 0.000 0.996 940 S CB -0.132 63.106 63.200 0.064 0.000 0.882 940 S HN 0.482 nan 8.310 nan 0.000 0.445 941 M N 0.143 119.871 119.600 0.212 0.000 2.435 941 M HA 0.057 4.546 4.480 0.015 0.000 0.265 941 M C 2.195 178.735 176.300 0.400 0.000 1.104 941 M CA 0.448 55.936 55.300 0.313 0.000 1.140 941 M CB -0.114 32.652 32.600 0.276 0.000 1.372 941 M HN 0.312 nan 8.290 nan 0.000 0.456 942 S N 0.482 116.349 115.700 0.279 0.000 2.469 942 S HA -0.033 4.446 4.470 0.015 0.000 0.238 942 S C 1.546 176.302 174.600 0.259 0.000 0.998 942 S CA 0.892 59.236 58.200 0.240 0.000 0.957 942 S CB -0.042 63.234 63.200 0.127 0.000 0.764 942 S HN 0.457 nan 8.310 nan 0.000 0.514 943 L N -0.356 121.046 121.223 0.299 0.000 2.470 943 L HA 0.196 4.546 4.340 0.015 0.000 0.219 943 L C 2.259 179.335 176.870 0.345 0.000 1.071 943 L CA 0.670 55.715 54.840 0.341 0.000 0.850 943 L CB -0.352 41.967 42.059 0.433 0.000 1.040 943 L HN 0.352 nan 8.230 nan 0.000 0.475 944 H N 0.069 119.291 119.070 0.255 0.000 2.421 944 H HA -0.158 4.407 4.556 0.015 0.000 0.298 944 H C 1.822 177.092 175.328 -0.098 0.000 1.087 944 H CA 1.720 57.785 56.048 0.029 0.000 1.330 944 H CB -0.095 29.698 29.762 0.052 0.000 1.388 944 H HN 0.213 nan 8.280 nan 0.000 0.526 945 F N -0.839 119.107 119.950 -0.006 0.000 2.456 945 F HA 0.004 4.541 4.527 0.017 0.000 0.298 945 F C 2.085 177.875 175.800 -0.016 0.000 1.104 945 F CA 0.311 58.294 58.000 -0.027 0.000 1.435 945 F CB 0.039 39.053 39.000 0.023 0.000 1.078 945 F HN 0.191 nan 8.300 nan 0.000 0.546 946 L N -0.407 120.893 121.223 0.127 0.000 2.610 946 L HA 0.011 4.360 4.340 0.015 0.000 0.232 946 L C 1.304 178.112 176.870 -0.104 0.000 1.149 946 L CA 0.960 55.833 54.840 0.054 0.000 0.872 946 L CB -0.232 41.874 42.059 0.079 0.000 0.992 946 L HN 0.041 nan 8.230 nan 0.000 0.447 947 I N -1.532 118.868 120.570 -0.283 0.000 4.082 947 I HA 0.074 4.253 4.170 0.015 0.000 0.337 947 I C 1.224 177.025 176.117 -0.527 0.000 1.352 947 I CA 0.365 61.288 61.300 -0.629 0.000 1.097 947 I CB 0.502 37.831 38.000 -1.119 0.000 1.048 947 I HN 0.220 nan 8.210 nan 0.000 0.393 948 L N -0.707 120.318 121.223 -0.330 0.000 2.379 948 L HA 0.114 4.464 4.340 0.015 0.000 0.190 948 L C 0.963 177.714 176.870 -0.199 0.000 1.111 948 L CA 1.342 56.011 54.840 -0.286 0.000 0.820 948 L CB -0.775 41.155 42.059 -0.215 0.000 1.046 948 L HN 0.055 nan 8.230 nan 0.000 0.485 949 Y N 0.416 120.703 120.300 -0.022 0.000 2.801 949 Y HA 0.364 4.924 4.550 0.016 0.000 0.340 949 Y C 0.100 176.002 175.900 0.003 0.000 1.088 949 Y CA -0.601 57.511 58.100 0.020 0.000 1.444 949 Y CB 0.100 38.604 38.460 0.074 0.000 1.251 949 Y HN -0.088 nan 8.280 nan 0.000 0.522 950 V N -4.713 115.234 119.914 0.055 0.000 3.102 950 V HA 0.550 4.679 4.120 0.015 0.000 0.312 950 V C -0.010 176.095 176.094 0.018 0.000 1.135 950 V CA -1.297 61.030 62.300 0.045 0.000 1.022 950 V CB 1.774 33.617 31.823 0.032 0.000 1.056 950 V HN -0.164 nan 8.190 nan 0.000 0.436 951 D N 1.677 122.091 120.400 0.024 0.000 2.273 951 D HA 0.219 4.868 4.640 0.015 0.000 0.247 951 D C -1.466 174.844 176.300 0.016 0.000 1.313 951 D CA -0.566 53.444 54.000 0.016 0.000 0.974 951 D CB -0.051 40.759 40.800 0.018 0.000 1.157 951 D HN 0.517 nan 8.370 nan 0.000 0.533 952 P HA -0.264 nan 4.420 nan 0.000 0.234 952 P C 0.597 177.906 177.300 0.016 0.000 1.089 952 P CA 1.604 64.706 63.100 0.003 0.000 0.958 952 P CB -0.154 31.549 31.700 0.005 0.000 0.698 953 L N -3.150 118.107 121.223 0.057 0.000 2.636 953 L HA 0.099 4.448 4.340 0.015 0.000 0.163 953 L C -0.801 176.149 176.870 0.133 0.000 1.052 953 L CA -0.829 54.111 54.840 0.166 0.000 1.170 953 L CB -1.829 40.332 42.059 0.170 0.000 1.864 953 L HN -0.182 nan 8.230 nan 0.000 0.472 954 P HA -0.315 nan 4.420 nan 0.000 0.151 954 P C 0.897 178.232 177.300 0.057 0.000 1.043 954 P CA 1.995 65.148 63.100 0.089 0.000 0.533 954 P CB -0.331 31.331 31.700 -0.063 0.000 0.450 955 M N -2.276 117.342 119.600 0.030 0.000 2.545 955 M HA 0.068 4.557 4.480 0.015 0.000 0.264 955 M C 1.811 178.043 176.300 -0.115 0.000 1.155 955 M CA 1.006 56.278 55.300 -0.046 0.000 1.162 955 M CB 0.138 32.708 32.600 -0.050 0.000 1.330 955 M HN -0.180 nan 8.290 nan 0.000 0.479 956 I N -0.565 119.881 120.570 -0.208 0.000 2.480 956 I HA -0.039 4.140 4.170 0.015 0.000 0.251 956 I C 0.914 176.683 176.117 -0.579 0.000 1.124 956 I CA 0.510 61.542 61.300 -0.448 0.000 1.444 956 I CB -0.527 37.074 38.000 -0.664 0.000 1.098 956 I HN 0.070 nan 8.210 nan 0.000 0.428 957 F N 1.472 121.344 119.950 -0.131 0.000 2.513 957 F HA 0.427 4.965 4.527 0.018 0.000 0.184 957 F C 0.851 176.569 175.800 -0.136 0.000 0.900 957 F CA -0.286 57.631 58.000 -0.137 0.000 1.005 957 F CB -0.260 38.628 39.000 -0.187 0.000 2.250 957 F HN -0.292 nan 8.300 nan 0.000 0.682 958 K N -0.162 120.290 120.400 0.087 0.000 2.439 958 K HA 0.450 4.779 4.320 0.015 0.000 0.260 958 K C -1.433 175.097 176.600 -0.118 0.000 1.032 958 K CA -1.038 55.216 56.287 -0.055 0.000 0.882 958 K CB 1.483 33.920 32.500 -0.106 0.000 1.420 958 K HN 0.342 nan 8.250 nan 0.000 0.455 959 L N 1.907 123.036 121.223 -0.157 0.000 2.514 959 L HA 0.004 4.354 4.340 0.015 0.000 0.280 959 L C -0.151 176.572 176.870 -0.246 0.000 1.223 959 L CA 0.047 54.777 54.840 -0.184 0.000 0.864 959 L CB 0.174 42.137 42.059 -0.160 0.000 1.118 959 L HN 0.487 nan 8.230 nan 0.000 0.494 960 K N 3.946 124.160 120.400 -0.309 0.000 2.530 960 K HA 0.302 4.632 4.320 0.015 0.000 0.280 960 K C -0.419 176.020 176.600 -0.269 0.000 1.004 960 K CA 0.764 56.797 56.287 -0.423 0.000 1.071 960 K CB -0.194 31.812 32.500 -0.823 0.000 0.876 960 K HN 0.645 nan 8.250 nan 0.000 0.487 961 A N 3.764 126.445 122.820 -0.232 0.000 2.328 961 A HA 0.442 4.771 4.320 0.015 0.000 0.284 961 A C -0.780 176.853 177.584 0.083 0.000 1.160 961 A CA -0.852 51.060 52.037 -0.210 0.000 0.818 961 A CB 0.283 18.934 19.000 -0.582 0.000 1.087 961 A HN 0.684 nan 8.150 nan 0.000 0.504 962 L N 1.952 123.255 121.223 0.133 0.000 2.334 962 L HA 0.320 4.669 4.340 0.015 0.000 0.277 962 L C 0.473 177.583 176.870 0.401 0.000 1.075 962 L CA -0.099 54.919 54.840 0.296 0.000 0.804 962 L CB 0.987 43.164 42.059 0.197 0.000 1.174 962 L HN 0.828 nan 8.230 nan 0.000 0.438 963 D N 3.025 123.702 120.400 0.462 0.000 2.346 963 D HA 0.037 4.687 4.640 0.015 0.000 0.236 963 D C 1.208 177.674 176.300 0.277 0.000 1.259 963 D CA 0.810 55.053 54.000 0.405 0.000 0.898 963 D CB 0.488 41.425 40.800 0.228 0.000 1.178 963 D HN 0.632 nan 8.370 nan 0.000 0.457 964 L N -0.971 120.394 121.223 0.237 0.000 4.988 964 L HA -0.336 4.013 4.340 0.015 0.000 0.439 964 L C 0.636 177.625 176.870 0.197 0.000 1.080 964 L CA 2.855 57.803 54.840 0.180 0.000 1.018 964 L CB -2.924 39.214 42.059 0.132 0.000 1.945 964 L HN 0.586 nan 8.230 nan 0.000 0.782 965 T N -5.483 109.212 114.554 0.234 0.000 3.216 965 T HA 0.328 4.687 4.350 0.015 0.000 0.167 965 T C 0.897 175.740 174.700 0.239 0.000 0.905 965 T CA 0.445 62.685 62.100 0.233 0.000 1.042 965 T CB -0.227 68.755 68.868 0.189 0.000 1.787 965 T HN 0.132 nan 8.240 nan 0.000 0.355 966 Q N 0.203 120.080 119.800 0.128 0.000 2.265 966 Q HA 0.391 4.740 4.340 0.015 0.000 0.217 966 Q C 0.040 175.865 176.000 -0.291 0.000 0.916 966 Q CA 0.318 56.088 55.803 -0.055 0.000 0.948 966 Q CB -0.400 28.215 28.738 -0.205 0.000 1.020 966 Q HN 0.729 nan 8.270 nan 0.000 0.462 967 W N -2.080 119.293 121.300 0.121 0.000 4.084 967 W HA 0.181 4.850 4.660 0.015 0.000 0.203 967 W C 1.084 177.643 176.519 0.066 0.000 1.101 967 W CA -0.323 57.085 57.345 0.106 0.000 1.673 967 W CB 0.324 29.876 29.460 0.153 0.000 0.705 967 W HN 0.046 nan 8.180 nan 0.000 0.897 968 L N 0.123 121.531 121.223 0.307 0.000 2.043 968 L HA -0.256 4.093 4.340 0.015 0.000 0.212 968 L C 2.282 179.193 176.870 0.068 0.000 1.075 968 L CA 1.186 56.129 54.840 0.172 0.000 0.752 968 L CB -0.838 41.307 42.059 0.144 0.000 0.891 968 L HN 0.091 nan 8.230 nan 0.000 0.432 969 M N -0.711 118.876 119.600 -0.022 0.000 2.435 969 M HA 0.013 4.502 4.480 0.015 0.000 0.265 969 M C 1.929 178.126 176.300 -0.171 0.000 1.104 969 M CA 1.077 56.228 55.300 -0.247 0.000 1.140 969 M CB -0.130 32.037 32.600 -0.723 0.000 1.372 969 M HN -0.098 nan 8.290 nan 0.000 0.456 970 V N -0.166 119.717 119.914 -0.052 0.000 2.626 970 V HA -0.211 3.918 4.120 0.015 0.000 0.252 970 V C 2.131 178.284 176.094 0.098 0.000 1.067 970 V CA 1.339 63.637 62.300 -0.004 0.000 1.081 970 V CB -0.465 31.337 31.823 -0.035 0.000 0.686 970 V HN 0.436 nan 8.190 nan 0.000 0.468 971 L N -0.907 120.400 121.223 0.140 0.000 2.298 971 L HA 0.030 4.379 4.340 0.015 0.000 0.209 971 L C 2.392 179.301 176.870 0.064 0.000 1.084 971 L CA 0.672 55.590 54.840 0.131 0.000 0.816 971 L CB -0.285 41.867 42.059 0.155 0.000 0.967 971 L HN 0.186 nan 8.230 nan 0.000 0.460 972 K N 0.988 121.397 120.400 0.015 0.000 2.217 972 K HA -0.013 4.316 4.320 0.015 0.000 0.202 972 K C 1.709 178.301 176.600 -0.013 0.000 1.051 972 K CA 1.244 57.523 56.287 -0.013 0.000 0.952 972 K CB -0.146 32.319 32.500 -0.059 0.000 0.736 972 K HN 0.211 nan 8.250 nan 0.000 0.453 973 I N -0.146 120.406 120.570 -0.031 0.000 2.761 973 I HA -0.138 4.041 4.170 0.015 0.000 0.261 973 I C 1.593 177.774 176.117 0.107 0.000 1.198 973 I CA 0.524 61.825 61.300 0.001 0.000 1.482 973 I CB 0.048 38.005 38.000 -0.071 0.000 1.100 973 I HN 0.024 nan 8.210 nan 0.000 0.445 974 S N 0.888 116.644 115.700 0.092 0.000 2.341 974 S HA 0.042 4.521 4.470 0.015 0.000 0.216 974 S C 1.955 176.617 174.600 0.104 0.000 1.034 974 S CA 0.548 58.821 58.200 0.122 0.000 0.964 974 S CB -0.355 62.908 63.200 0.105 0.000 0.882 974 S HN 0.256 nan 8.310 nan 0.000 0.469 975 L N 1.730 122.997 121.223 0.073 0.000 2.125 975 L HA -0.236 4.113 4.340 0.015 0.000 0.234 975 L C -0.800 176.080 176.870 0.015 0.000 1.110 975 L CA 1.810 56.679 54.840 0.048 0.000 0.832 975 L CB -2.566 39.517 42.059 0.041 0.000 0.922 975 L HN 0.238 nan 8.230 nan 0.000 0.449 976 P HA -0.172 nan 4.420 nan 0.000 0.218 976 P C 1.897 179.063 177.300 -0.223 0.000 1.146 976 P CA 1.126 64.167 63.100 -0.097 0.000 0.813 976 P CB -0.049 31.595 31.700 -0.093 0.000 0.778 977 V N -0.428 119.372 119.914 -0.190 0.000 2.392 977 V HA -0.269 3.860 4.120 0.015 0.000 0.249 977 V C 2.055 178.088 176.094 -0.102 0.000 1.059 977 V CA 1.702 63.881 62.300 -0.201 0.000 1.051 977 V CB -0.881 30.940 31.823 -0.002 0.000 0.658 977 V HN 0.002 nan 8.190 nan 0.000 0.455 978 I N 0.391 120.939 120.570 -0.036 0.000 2.113 978 I HA -0.166 4.013 4.170 0.015 0.000 0.238 978 I C 2.667 178.780 176.117 -0.005 0.000 1.070 978 I CA 1.798 63.098 61.300 -0.000 0.000 1.332 978 I CB -1.231 36.785 38.000 0.027 0.000 1.044 978 I HN 0.434 nan 8.210 nan 0.000 0.402 979 G N 1.062 109.852 108.800 -0.018 0.000 2.475 979 G HA2 -0.206 3.763 3.960 0.015 0.000 0.220 979 G HA3 -0.206 3.763 3.960 0.015 0.000 0.220 979 G C 1.707 176.597 174.900 -0.017 0.000 1.125 979 G CA 0.594 45.693 45.100 -0.002 0.000 0.755 979 G HN 0.286 nan 8.290 nan 0.000 0.565 980 L N -0.086 121.080 121.223 -0.095 0.000 2.093 980 L HA 0.021 4.370 4.340 0.015 0.000 0.208 980 L C 2.177 179.027 176.870 -0.032 0.000 1.085 980 L CA 1.161 55.936 54.840 -0.108 0.000 0.755 980 L CB -0.193 41.707 42.059 -0.264 0.000 0.904 980 L HN 0.102 nan 8.230 nan 0.000 0.435 981 D N -0.775 119.613 120.400 -0.020 0.000 2.339 981 D HA -0.074 4.575 4.640 0.015 0.000 0.217 981 D C 1.864 178.204 176.300 0.067 0.000 1.050 981 D CA 0.407 54.420 54.000 0.021 0.000 0.856 981 D CB 0.367 41.176 40.800 0.014 0.000 0.922 981 D HN 0.133 nan 8.370 nan 0.000 0.518 982 E N -0.286 119.963 120.200 0.082 0.000 2.415 982 E HA 0.038 4.397 4.350 0.015 0.000 0.197 982 E C 1.590 178.341 176.600 0.252 0.000 1.007 982 E CA 0.115 56.592 56.400 0.129 0.000 0.890 982 E CB 0.741 30.512 29.700 0.118 0.000 0.891 982 E HN 0.329 nan 8.360 nan 0.000 0.496 983 I N 0.490 121.190 120.570 0.217 0.000 2.731 983 I HA -0.047 4.132 4.170 0.015 0.000 0.260 983 I C 2.333 178.629 176.117 0.297 0.000 1.138 983 I CA 0.477 61.938 61.300 0.268 0.000 1.461 983 I CB -0.890 37.202 38.000 0.152 0.000 1.128 983 I HN 0.058 nan 8.210 nan 0.000 0.438 984 L N 0.481 121.846 121.223 0.236 0.000 2.191 984 L HA -0.192 4.157 4.340 0.015 0.000 0.212 984 L C 2.459 179.558 176.870 0.381 0.000 1.103 984 L CA 1.229 56.248 54.840 0.298 0.000 0.769 984 L CB -0.240 41.904 42.059 0.141 0.000 0.908 984 L HN 0.229 nan 8.230 nan 0.000 0.438 985 K N -0.798 119.761 120.400 0.264 0.000 2.186 985 K HA -0.089 4.240 4.320 0.015 0.000 0.202 985 K C 2.020 178.704 176.600 0.139 0.000 1.052 985 K CA 0.749 57.155 56.287 0.198 0.000 0.965 985 K CB 0.064 32.608 32.500 0.073 0.000 0.746 985 K HN 0.070 nan 8.250 nan 0.000 0.457 986 F N 1.271 121.300 119.950 0.131 0.000 2.113 986 F HA -0.231 4.305 4.527 0.015 0.000 0.297 986 F C 1.994 177.855 175.800 0.100 0.000 1.103 986 F CA 0.730 58.782 58.000 0.088 0.000 1.248 986 F CB -0.013 39.039 39.000 0.087 0.000 0.999 986 F HN -0.034 nan 8.300 nan 0.000 0.475 987 I N 0.306 121.109 120.570 0.387 0.000 2.182 987 I HA -0.406 3.773 4.170 0.015 0.000 0.248 987 I C 2.512 178.655 176.117 0.044 0.000 1.073 987 I CA 1.912 63.383 61.300 0.284 0.000 1.335 987 I CB -1.896 36.383 38.000 0.465 0.000 1.031 987 I HN 0.149 nan 8.210 nan 0.000 0.420 988 A N 0.977 123.826 122.820 0.048 0.000 1.903 988 A HA -0.091 4.238 4.320 0.015 0.000 0.213 988 A C 1.989 179.510 177.584 -0.104 0.000 1.185 988 A CA 0.659 52.594 52.037 -0.171 0.000 0.628 988 A CB -0.255 18.761 19.000 0.027 0.000 0.830 988 A HN 0.553 nan 8.150 nan 0.000 0.446 989 R N -0.292 120.170 120.500 -0.064 0.000 2.893 989 R HA 0.188 4.537 4.340 0.015 0.000 0.317 989 R C 0.077 176.282 176.300 -0.158 0.000 1.239 989 R CA 0.466 56.486 56.100 -0.133 0.000 1.128 989 R CB -0.242 29.944 30.300 -0.189 0.000 1.377 989 R HN 0.523 nan 8.270 nan 0.000 0.583 990 N N -0.911 117.695 118.700 -0.157 0.000 1.963 990 N HA -0.066 4.684 4.740 0.015 0.000 0.244 990 N C -0.331 174.702 175.510 -0.795 0.000 1.288 990 N CA -0.051 52.752 53.050 -0.411 0.000 0.800 990 N CB 0.201 38.538 38.487 -0.249 0.000 1.293 990 N HN 0.244 nan 8.380 nan 0.000 0.483 991 Y N 0.774 121.076 120.300 0.003 0.000 2.898 991 Y HA 0.466 5.025 4.550 0.015 0.000 0.249 991 Y C -0.084 175.746 175.900 -0.115 0.000 1.108 991 Y CA -1.028 57.048 58.100 -0.041 0.000 1.184 991 Y CB 0.198 38.645 38.460 -0.021 0.000 1.245 991 Y HN 0.072 nan 8.280 nan 0.000 0.611 992 L N 0.306 121.478 121.223 -0.085 0.000 2.479 992 L HA 0.392 4.741 4.340 0.015 0.000 0.249 992 L C 1.538 178.315 176.870 -0.155 0.000 1.178 992 L CA 0.218 54.924 54.840 -0.225 0.000 0.811 992 L CB 0.813 42.661 42.059 -0.351 0.000 1.187 992 L HN 0.060 nan 8.230 nan 0.000 0.480 993 E N 1.370 121.458 120.200 -0.186 0.000 2.267 993 E HA 0.115 4.474 4.350 0.015 0.000 0.197 993 E C 0.758 177.310 176.600 -0.080 0.000 0.998 993 E CA 0.906 57.239 56.400 -0.112 0.000 0.830 993 E CB -0.452 29.186 29.700 -0.104 0.000 0.751 993 E HN 0.795 nan 8.360 nan 0.000 0.491 994 G N 0.000 108.743 108.800 -0.095 0.000 5.446 994 G HA2 0.000 3.969 3.960 0.015 0.000 0.244 994 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 994 G CA 0.000 45.061 45.100 -0.065 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925