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 2by4_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 0.000 176.260 176.300 -0.067 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 E N 3.352 123.526 120.200 -0.044 0.000 2.281 2 E HA 0.518 4.866 4.350 -0.002 0.000 0.266 2 E C -0.317 176.251 176.600 -0.054 0.000 0.893 2 E CA -0.274 56.035 56.400 -0.152 0.000 0.798 2 E CB 2.254 31.860 29.700 -0.158 0.000 1.245 2 E HN 0.788 nan 8.360 nan 0.000 0.410 3 A N 2.446 125.236 122.820 -0.049 0.000 2.268 3 A HA 0.312 4.630 4.320 -0.002 0.000 0.221 3 A C 0.628 178.224 177.584 0.020 0.000 1.287 3 A CA 0.225 52.280 52.037 0.030 0.000 0.902 3 A CB -0.184 18.834 19.000 0.031 0.000 0.877 3 A HN 0.417 nan 8.150 nan 0.000 0.487 4 A N 0.963 123.746 122.820 -0.061 0.000 2.253 4 A HA 0.588 4.907 4.320 -0.002 0.000 0.316 4 A C 0.589 178.105 177.584 -0.113 0.000 1.327 4 A CA -0.247 51.692 52.037 -0.164 0.000 0.917 4 A CB 0.072 18.974 19.000 -0.163 0.000 1.162 4 A HN 0.698 nan 8.150 nan 0.000 0.535 5 H N 0.732 119.785 119.070 -0.028 0.000 3.680 5 H HA 0.086 4.640 4.556 -0.002 0.000 0.260 5 H C 0.822 176.140 175.328 -0.017 0.000 1.183 5 H CA 0.822 56.851 56.048 -0.032 0.000 1.159 5 H CB -0.207 29.540 29.762 -0.025 0.000 1.567 5 H HN 0.655 nan 8.280 nan 0.000 0.648 6 S N 0.407 115.641 115.700 -0.776 0.000 2.517 6 S HA 0.172 4.640 4.470 -0.002 0.000 0.214 6 S C 0.755 175.232 174.600 -0.205 0.000 0.991 6 S CA -0.415 57.525 58.200 -0.434 0.000 0.906 6 S CB 0.453 63.342 63.200 -0.518 0.000 0.789 6 S HN 0.026 nan 8.310 nan 0.000 0.513 7 K N 3.112 123.402 120.400 -0.184 0.000 2.098 7 K HA 0.365 4.684 4.320 -0.002 0.000 0.257 7 K C 0.609 177.179 176.600 -0.050 0.000 0.999 7 K CA -0.054 56.177 56.287 -0.092 0.000 0.924 7 K CB 1.283 33.738 32.500 -0.075 0.000 1.028 7 K HN 0.457 nan 8.250 nan 0.000 0.466 8 S N -0.430 115.254 115.700 -0.026 0.000 2.589 8 S HA -0.047 4.422 4.470 -0.002 0.000 0.265 8 S C 1.392 175.990 174.600 -0.003 0.000 1.342 8 S CA 0.186 58.378 58.200 -0.013 0.000 1.005 8 S CB 0.852 64.049 63.200 -0.005 0.000 0.909 8 S HN 0.620 nan 8.310 nan 0.000 0.555 9 T N 0.752 115.306 114.554 -0.001 0.000 2.788 9 T HA -0.097 4.251 4.350 -0.002 0.000 0.268 9 T C 1.348 176.059 174.700 0.019 0.000 1.044 9 T CA 1.926 64.029 62.100 0.004 0.000 1.139 9 T CB -0.667 68.201 68.868 0.001 0.000 0.867 9 T HN 0.776 nan 8.240 nan 0.000 0.454 10 E N 0.846 121.059 120.200 0.021 0.000 2.158 10 E HA 0.019 4.368 4.350 -0.002 0.000 0.191 10 E C 2.213 178.846 176.600 0.056 0.000 0.982 10 E CA 0.710 57.131 56.400 0.034 0.000 0.823 10 E CB -0.129 29.586 29.700 0.025 0.000 0.766 10 E HN 0.614 nan 8.360 nan 0.000 0.468 11 E N 0.021 120.250 120.200 0.048 0.000 2.118 11 E HA -0.208 4.140 4.350 -0.002 0.000 0.195 11 E C 1.799 178.474 176.600 0.124 0.000 0.992 11 E CA 1.233 57.674 56.400 0.069 0.000 0.804 11 E CB -0.152 29.571 29.700 0.038 0.000 0.741 11 E HN 0.305 nan 8.360 nan 0.000 0.458 12 C N 0.312 119.680 119.300 0.113 0.000 2.476 12 C HA -0.060 4.398 4.460 -0.002 0.000 0.278 12 C C 2.572 177.725 174.990 0.271 0.000 1.274 12 C CA 0.229 59.362 59.018 0.193 0.000 1.713 12 C CB -0.842 26.953 27.740 0.091 0.000 2.039 12 C HN 0.408 nan 8.230 nan 0.000 0.484 13 L N 0.968 122.282 121.223 0.153 0.000 2.189 13 L HA -0.201 4.137 4.340 -0.002 0.000 0.214 13 L C 2.676 179.652 176.870 0.177 0.000 1.097 13 L CA 1.352 56.277 54.840 0.141 0.000 0.764 13 L CB -0.584 41.520 42.059 0.076 0.000 0.900 13 L HN 0.409 nan 8.230 nan 0.000 0.436 14 A N -0.569 122.354 122.820 0.172 0.000 1.823 14 A HA -0.264 4.055 4.320 -0.002 0.000 0.214 14 A C 2.054 179.756 177.584 0.196 0.000 1.225 14 A CA 1.340 53.465 52.037 0.148 0.000 0.604 14 A CB -1.143 17.927 19.000 0.117 0.000 0.878 14 A HN 0.356 nan 8.150 nan 0.000 0.450 15 Y N -0.288 120.080 120.300 0.113 0.000 2.003 15 Y HA -0.373 4.176 4.550 -0.002 0.000 0.261 15 Y C 2.045 177.972 175.900 0.046 0.000 1.211 15 Y CA 2.812 60.947 58.100 0.059 0.000 1.098 15 Y CB -0.769 37.726 38.460 0.059 0.000 0.925 15 Y HN 0.286 nan 8.280 nan 0.000 0.498 16 F N 0.153 120.258 119.950 0.257 0.000 2.365 16 F HA 0.098 4.623 4.527 -0.002 0.000 0.300 16 F C 1.922 177.803 175.800 0.135 0.000 1.090 16 F CA 1.276 59.401 58.000 0.208 0.000 1.408 16 F CB -0.870 38.303 39.000 0.288 0.000 1.060 16 F HN 0.264 nan 8.300 nan 0.000 0.534 17 G N 1.332 110.279 108.800 0.246 0.000 2.351 17 G HA2 -0.103 3.855 3.960 -0.002 0.000 0.297 17 G HA3 -0.103 3.855 3.960 -0.002 0.000 0.297 17 G C -0.528 174.462 174.900 0.150 0.000 1.054 17 G CA 0.277 45.462 45.100 0.142 0.000 1.123 17 G HN 0.433 nan 8.290 nan 0.000 0.512 18 V N 0.477 120.487 119.914 0.159 0.000 2.789 18 V HA 0.850 4.969 4.120 -0.002 0.000 0.311 18 V C 0.527 176.661 176.094 0.067 0.000 1.073 18 V CA -0.038 62.326 62.300 0.107 0.000 0.921 18 V CB 2.233 34.128 31.823 0.120 0.000 1.009 18 V HN 1.387 nan 8.190 nan 0.000 0.426 19 S N 3.566 119.290 115.700 0.041 0.000 2.405 19 S HA 0.222 4.691 4.470 -0.002 0.000 0.291 19 S C 0.812 175.423 174.600 0.019 0.000 1.137 19 S CA 0.154 58.368 58.200 0.024 0.000 1.061 19 S CB 0.901 64.107 63.200 0.011 0.000 1.001 19 S HN 0.946 nan 8.310 nan 0.000 0.507 20 E N 2.751 122.961 120.200 0.018 0.000 2.396 20 E HA -0.198 4.150 4.350 -0.002 0.000 0.200 20 E C 1.447 178.045 176.600 -0.004 0.000 1.023 20 E CA 1.572 57.981 56.400 0.016 0.000 0.857 20 E CB -0.106 29.601 29.700 0.012 0.000 0.775 20 E HN 0.969 nan 8.360 nan 0.000 0.525 21 T N -4.205 110.336 114.554 -0.022 0.000 3.021 21 T HA 0.056 4.405 4.350 -0.002 0.000 0.245 21 T C 1.839 176.495 174.700 -0.075 0.000 1.028 21 T CA 0.855 62.919 62.100 -0.061 0.000 1.139 21 T CB 0.122 68.961 68.868 -0.049 0.000 0.884 21 T HN -0.051 nan 8.240 nan 0.000 0.457 22 T N 0.441 114.976 114.554 -0.032 0.000 3.046 22 T HA 0.566 4.915 4.350 -0.002 0.000 0.242 22 T C 1.241 175.949 174.700 0.013 0.000 1.018 22 T CA 0.517 62.604 62.100 -0.022 0.000 1.131 22 T CB -0.276 68.585 68.868 -0.011 0.000 0.904 22 T HN 0.927 nan 8.240 nan 0.000 0.459 23 G N 1.162 109.978 108.800 0.027 0.000 2.451 23 G HA2 0.009 3.967 3.960 -0.002 0.000 0.208 23 G HA3 0.009 3.967 3.960 -0.002 0.000 0.208 23 G C -1.548 173.362 174.900 0.017 0.000 1.248 23 G CA -0.958 44.169 45.100 0.044 0.000 0.989 23 G HN 0.337 nan 8.290 nan 0.000 0.559 24 L N 1.530 122.755 121.223 0.004 0.000 2.289 24 L HA 0.622 4.960 4.340 -0.002 0.000 0.285 24 L C 1.484 178.336 176.870 -0.029 0.000 1.049 24 L CA 0.410 55.226 54.840 -0.038 0.000 0.804 24 L CB 1.356 43.361 42.059 -0.090 0.000 1.195 24 L HN 1.088 nan 8.230 nan 0.000 0.428 25 T N 0.910 115.442 114.554 -0.035 0.000 2.919 25 T HA 0.233 4.582 4.350 -0.002 0.000 0.302 25 T C -1.759 172.926 174.700 -0.025 0.000 1.031 25 T CA -1.407 60.681 62.100 -0.021 0.000 1.127 25 T CB 0.950 69.808 68.868 -0.017 0.000 0.952 25 T HN 0.441 nan 8.240 nan 0.000 0.540 26 P HA -0.151 nan 4.420 nan 0.000 0.220 26 P C 0.893 178.189 177.300 -0.006 0.000 1.142 26 P CA 1.098 64.196 63.100 -0.003 0.000 0.801 26 P CB 0.094 31.797 31.700 0.005 0.000 0.764 27 D N -1.045 119.348 120.400 -0.013 0.000 2.106 27 D HA -0.124 4.514 4.640 -0.002 0.000 0.203 27 D C 1.928 178.217 176.300 -0.020 0.000 0.977 27 D CA 1.188 55.183 54.000 -0.009 0.000 0.844 27 D CB -0.568 40.228 40.800 -0.007 0.000 1.002 27 D HN 0.112 nan 8.370 nan 0.000 0.461 28 Q N -0.110 119.654 119.800 -0.060 0.000 2.197 28 Q HA -0.181 4.158 4.340 -0.002 0.000 0.211 28 Q C 2.327 178.235 176.000 -0.153 0.000 0.993 28 Q CA 1.369 57.076 55.803 -0.160 0.000 0.883 28 Q CB -0.166 28.404 28.738 -0.280 0.000 0.916 28 Q HN 0.217 nan 8.270 nan 0.000 0.418 29 V N 1.112 120.981 119.914 -0.074 0.000 2.237 29 V HA -0.289 3.830 4.120 -0.002 0.000 0.245 29 V C 2.034 178.160 176.094 0.054 0.000 1.046 29 V CA 2.055 64.359 62.300 0.008 0.000 1.007 29 V CB -0.431 31.400 31.823 0.013 0.000 0.638 29 V HN 0.341 nan 8.190 nan 0.000 0.445 30 K N -0.436 119.983 120.400 0.031 0.000 2.160 30 K HA -0.212 4.107 4.320 -0.002 0.000 0.206 30 K C 2.285 178.910 176.600 0.042 0.000 1.047 30 K CA 1.577 57.882 56.287 0.030 0.000 0.930 30 K CB -0.229 32.283 32.500 0.019 0.000 0.720 30 K HN 0.412 nan 8.250 nan 0.000 0.450 31 R N -0.746 119.795 120.500 0.067 0.000 2.112 31 R HA 0.049 4.388 4.340 -0.002 0.000 0.216 31 R C 2.124 178.520 176.300 0.160 0.000 1.080 31 R CA 0.612 56.764 56.100 0.088 0.000 0.996 31 R CB -0.101 30.256 30.300 0.094 0.000 0.902 31 R HN 0.392 nan 8.270 nan 0.000 0.449 32 H N 0.154 119.264 119.070 0.065 0.000 2.357 32 H HA -0.091 4.464 4.556 -0.002 0.000 0.301 32 H C 1.957 177.383 175.328 0.163 0.000 1.082 32 H CA 1.044 57.194 56.048 0.170 0.000 1.342 32 H CB 0.237 30.163 29.762 0.273 0.000 1.389 32 H HN 0.016 nan 8.280 nan 0.000 0.511 33 L N 1.435 122.787 121.223 0.215 0.000 2.456 33 L HA -0.100 4.239 4.340 -0.002 0.000 0.224 33 L C 1.845 178.705 176.870 -0.016 0.000 1.148 33 L CA 1.249 56.133 54.840 0.075 0.000 0.825 33 L CB 0.072 42.118 42.059 -0.022 0.000 0.937 33 L HN 0.112 nan 8.230 nan 0.000 0.450 34 E N -0.729 119.463 120.200 -0.013 0.000 2.472 34 E HA -0.080 4.269 4.350 -0.002 0.000 0.196 34 E C 1.824 178.366 176.600 -0.097 0.000 1.033 34 E CA 0.431 56.801 56.400 -0.051 0.000 0.886 34 E CB 0.058 29.737 29.700 -0.034 0.000 0.944 34 E HN 0.423 nan 8.360 nan 0.000 0.492 35 K N -1.141 119.154 120.400 -0.174 0.000 2.399 35 K HA 0.045 4.363 4.320 -0.002 0.000 0.196 35 K C 0.283 176.614 176.600 -0.448 0.000 1.103 35 K CA 0.235 56.300 56.287 -0.372 0.000 0.986 35 K CB 0.342 32.482 32.500 -0.600 0.000 0.952 35 K HN 0.091 nan 8.250 nan 0.000 0.541 36 Y N 0.000 120.292 120.300 -0.014 0.000 2.430 36 Y HA 0.290 4.839 4.550 -0.002 0.000 0.254 36 Y C 0.969 176.866 175.900 -0.005 0.000 1.088 36 Y CA 0.135 58.237 58.100 0.003 0.000 1.267 36 Y CB 0.821 39.300 38.460 0.030 0.000 1.204 36 Y HN 0.226 nan 8.280 nan 0.000 0.515 37 G N 0.640 109.480 108.800 0.067 0.000 2.749 37 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.242 37 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.242 37 G C -0.523 174.351 174.900 -0.043 0.000 1.364 37 G CA -0.386 44.695 45.100 -0.033 0.000 0.888 37 G HN 0.355 nan 8.290 nan 0.000 0.566 38 H N 0.128 119.250 119.070 0.088 0.000 2.615 38 H HA 0.279 4.833 4.556 -0.002 0.000 0.363 38 H C 0.897 176.268 175.328 0.070 0.000 1.148 38 H CA 0.351 56.444 56.048 0.075 0.000 1.401 38 H CB 0.900 30.694 29.762 0.054 0.000 1.461 38 H HN 0.564 nan 8.280 nan 0.000 0.588 39 N N 1.996 120.815 118.700 0.198 0.000 2.439 39 N HA 0.057 4.796 4.740 -0.002 0.000 0.243 39 N C -0.790 174.781 175.510 0.103 0.000 1.088 39 N CA -0.037 53.085 53.050 0.119 0.000 0.940 39 N CB 0.433 38.971 38.487 0.085 0.000 1.180 39 N HN 0.710 nan 8.380 nan 0.000 0.505 40 E N 3.237 123.492 120.200 0.092 0.000 2.393 40 E HA 0.144 4.492 4.350 -0.002 0.000 0.282 40 E C -1.759 174.878 176.600 0.060 0.000 1.096 40 E CA -0.665 55.775 56.400 0.066 0.000 0.866 40 E CB 0.477 30.212 29.700 0.058 0.000 1.232 40 E HN 0.349 nan 8.360 nan 0.000 0.431 41 L N 3.447 124.698 121.223 0.047 0.000 2.275 41 L HA 0.448 4.786 4.340 -0.002 0.000 0.288 41 L C -2.093 174.798 176.870 0.035 0.000 1.046 41 L CA -1.938 52.928 54.840 0.043 0.000 0.805 41 L CB 1.006 43.089 42.059 0.041 0.000 1.193 41 L HN 0.491 nan 8.230 nan 0.000 0.426 42 P HA -0.126 nan 4.420 nan 0.000 0.264 42 P C -0.208 177.104 177.300 0.021 0.000 1.156 42 P CA 0.258 63.376 63.100 0.030 0.000 0.756 42 P CB 0.470 32.187 31.700 0.029 0.000 0.764 43 A N 3.176 126.006 122.820 0.017 0.000 2.325 43 A HA 0.206 4.524 4.320 -0.002 0.000 0.260 43 A C 0.692 178.281 177.584 0.009 0.000 1.133 43 A CA -0.183 51.860 52.037 0.010 0.000 0.801 43 A CB -0.028 18.976 19.000 0.007 0.000 1.092 43 A HN 0.662 nan 8.150 nan 0.000 0.504 44 E N -0.448 119.754 120.200 0.004 0.000 2.267 44 E HA 0.442 4.791 4.350 -0.002 0.000 0.258 44 E C -0.551 176.051 176.600 0.003 0.000 1.074 44 E CA -0.648 55.754 56.400 0.003 0.000 0.915 44 E CB 0.845 30.544 29.700 -0.002 0.000 1.186 44 E HN 0.589 nan 8.360 nan 0.000 0.439 45 E N 0.794 120.996 120.200 0.002 0.000 2.256 45 E HA 0.284 4.633 4.350 -0.002 0.000 0.243 45 E C -1.149 175.452 176.600 0.002 0.000 0.925 45 E CA -0.667 55.735 56.400 0.004 0.000 0.748 45 E CB 0.608 30.311 29.700 0.004 0.000 1.206 45 E HN 0.645 nan 8.360 nan 0.000 0.428 46 G N 4.236 113.038 108.800 0.003 0.000 2.329 46 G HA2 0.181 4.139 3.960 -0.002 0.000 0.309 46 G HA3 0.181 4.139 3.960 -0.002 0.000 0.309 46 G C -0.183 174.723 174.900 0.010 0.000 1.110 46 G CA -0.531 44.570 45.100 0.002 0.000 0.923 46 G HN 0.383 nan 8.290 nan 0.000 0.430 47 K N 1.206 121.611 120.400 0.009 0.000 2.319 47 K HA 0.256 4.575 4.320 -0.002 0.000 0.265 47 K C 1.069 177.689 176.600 0.033 0.000 1.000 47 K CA -0.131 56.167 56.287 0.018 0.000 0.943 47 K CB 0.756 33.259 32.500 0.005 0.000 0.950 47 K HN 0.640 nan 8.250 nan 0.000 0.485 48 S N 1.302 117.040 115.700 0.062 0.000 2.669 48 S HA 0.169 4.638 4.470 -0.002 0.000 0.270 48 S C 1.510 176.171 174.600 0.102 0.000 1.225 48 S CA -0.834 57.420 58.200 0.090 0.000 0.991 48 S CB 0.454 63.740 63.200 0.143 0.000 0.987 48 S HN 0.543 nan 8.310 nan 0.000 0.552 49 L N -0.312 120.977 121.223 0.110 0.000 2.079 49 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 49 L C 2.373 179.343 176.870 0.166 0.000 1.081 49 L CA 1.702 56.607 54.840 0.109 0.000 0.752 49 L CB -0.773 41.345 42.059 0.099 0.000 0.896 49 L HN 0.816 nan 8.230 nan 0.000 0.433 50 W N 2.149 123.421 121.300 -0.047 0.000 2.298 50 W HA -0.290 4.369 4.660 -0.002 0.000 0.328 50 W C 2.372 178.852 176.519 -0.065 0.000 1.259 50 W CA 1.878 59.185 57.345 -0.064 0.000 1.251 50 W CB -0.028 29.404 29.460 -0.048 0.000 1.161 50 W HN 0.202 nan 8.180 nan 0.000 0.466 51 E N 0.297 120.503 120.200 0.011 0.000 2.085 51 E HA -0.268 4.080 4.350 -0.002 0.000 0.194 51 E C 2.197 178.728 176.600 -0.115 0.000 0.994 51 E CA 1.768 58.084 56.400 -0.140 0.000 0.801 51 E CB -0.644 29.035 29.700 -0.036 0.000 0.743 51 E HN 0.391 nan 8.360 nan 0.000 0.453 52 L N 0.547 121.749 121.223 -0.034 0.000 1.961 52 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 52 L C 2.576 179.418 176.870 -0.047 0.000 1.072 52 L CA 1.034 55.863 54.840 -0.018 0.000 0.749 52 L CB -0.885 41.187 42.059 0.021 0.000 0.889 52 L HN 0.059 nan 8.230 nan 0.000 0.432 53 V N 0.538 120.414 119.914 -0.064 0.000 2.277 53 V HA -0.372 3.746 4.120 -0.002 0.000 0.253 53 V C 2.383 178.315 176.094 -0.270 0.000 1.067 53 V CA 2.256 64.459 62.300 -0.162 0.000 1.047 53 V CB -0.611 31.083 31.823 -0.215 0.000 0.649 53 V HN 0.367 nan 8.190 nan 0.000 0.447 54 I N -0.348 120.012 120.570 -0.351 0.000 2.315 54 I HA -0.283 3.886 4.170 -0.002 0.000 0.251 54 I C 2.556 178.605 176.117 -0.113 0.000 1.125 54 I CA 1.725 62.818 61.300 -0.345 0.000 1.392 54 I CB -0.467 37.232 38.000 -0.502 0.000 1.065 54 I HN 0.492 nan 8.210 nan 0.000 0.424 55 E N 0.330 120.492 120.200 -0.063 0.000 2.107 55 E HA -0.188 4.160 4.350 -0.002 0.000 0.191 55 E C 1.972 178.625 176.600 0.089 0.000 0.982 55 E CA 0.654 57.055 56.400 0.003 0.000 0.809 55 E CB -0.026 29.672 29.700 -0.003 0.000 0.756 55 E HN 0.493 nan 8.360 nan 0.000 0.459 56 Q N -0.388 119.507 119.800 0.158 0.000 2.515 56 Q HA -0.115 4.224 4.340 -0.002 0.000 0.215 56 Q C 0.426 176.727 176.000 0.502 0.000 0.983 56 Q CA 0.910 56.894 55.803 0.302 0.000 0.905 56 Q CB 0.023 28.986 28.738 0.375 0.000 0.961 56 Q HN 0.272 nan 8.270 nan 0.000 0.503 57 F N -0.661 119.258 119.950 -0.050 0.000 2.835 57 F HA 0.267 4.792 4.527 -0.002 0.000 0.342 57 F C 1.200 176.967 175.800 -0.056 0.000 1.202 57 F CA -0.843 57.127 58.000 -0.051 0.000 1.240 57 F CB 0.482 39.445 39.000 -0.062 0.000 1.005 57 F HN 0.021 nan 8.300 nan 0.000 0.507 58 E N 0.102 120.362 120.200 0.100 0.000 2.526 58 E HA 0.022 4.371 4.350 -0.002 0.000 0.208 58 E C -0.243 176.364 176.600 0.012 0.000 0.997 58 E CA 0.007 56.429 56.400 0.036 0.000 0.961 58 E CB 0.470 30.180 29.700 0.017 0.000 1.030 58 E HN 0.311 nan 8.360 nan 0.000 0.483 59 D N -0.077 120.325 120.400 0.002 0.000 2.304 59 D HA -0.003 4.635 4.640 -0.002 0.000 0.247 59 D C 0.989 177.274 176.300 -0.026 0.000 1.089 59 D CA -0.316 53.678 54.000 -0.011 0.000 0.910 59 D CB 1.274 42.064 40.800 -0.016 0.000 1.199 59 D HN -0.015 nan 8.370 nan 0.000 0.426 60 L N 3.345 124.554 121.223 -0.023 0.000 2.093 60 L HA -0.014 4.324 4.340 -0.002 0.000 0.208 60 L C 1.815 178.657 176.870 -0.047 0.000 1.085 60 L CA 1.501 56.320 54.840 -0.035 0.000 0.755 60 L CB -0.383 41.654 42.059 -0.038 0.000 0.904 60 L HN 0.662 nan 8.230 nan 0.000 0.435 61 L N -2.245 118.955 121.223 -0.038 0.000 2.056 61 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 61 L C 2.542 179.369 176.870 -0.071 0.000 1.078 61 L CA 0.945 55.761 54.840 -0.041 0.000 0.749 61 L CB -0.818 41.240 42.059 -0.002 0.000 0.901 61 L HN 0.145 nan 8.230 nan 0.000 0.433 62 V N 0.057 119.913 119.914 -0.097 0.000 2.515 62 V HA -0.223 3.895 4.120 -0.002 0.000 0.250 62 V C 2.742 178.720 176.094 -0.194 0.000 1.058 62 V CA 1.601 63.793 62.300 -0.180 0.000 1.064 62 V CB -0.299 31.377 31.823 -0.245 0.000 0.675 62 V HN 0.390 nan 8.190 nan 0.000 0.461 63 R N -0.402 120.023 120.500 -0.125 0.000 2.055 63 R HA 0.017 4.355 4.340 -0.002 0.000 0.228 63 R C 2.263 178.517 176.300 -0.077 0.000 1.143 63 R CA 1.874 57.920 56.100 -0.090 0.000 0.945 63 R CB -0.483 29.789 30.300 -0.048 0.000 0.841 63 R HN 0.446 nan 8.270 nan 0.000 0.429 64 I N 1.340 121.869 120.570 -0.068 0.000 2.381 64 I HA -0.304 3.865 4.170 -0.002 0.000 0.255 64 I C 2.188 178.268 176.117 -0.062 0.000 1.140 64 I CA 1.213 62.477 61.300 -0.061 0.000 1.404 64 I CB -0.155 37.808 38.000 -0.061 0.000 1.075 64 I HN 0.252 nan 8.210 nan 0.000 0.433 65 L N -0.535 120.642 121.223 -0.077 0.000 2.270 65 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 65 L C 2.345 179.169 176.870 -0.077 0.000 1.104 65 L CA 0.624 55.419 54.840 -0.075 0.000 0.804 65 L CB -0.082 41.920 42.059 -0.094 0.000 0.937 65 L HN 0.275 nan 8.230 nan 0.000 0.450 66 L N -0.314 120.852 121.223 -0.095 0.000 2.131 66 L HA -0.141 4.197 4.340 -0.002 0.000 0.206 66 L C 2.211 179.066 176.870 -0.025 0.000 1.087 66 L CA 1.178 55.976 54.840 -0.070 0.000 0.767 66 L CB -0.222 41.788 42.059 -0.081 0.000 0.917 66 L HN 0.136 nan 8.230 nan 0.000 0.441 67 L N -0.218 120.985 121.223 -0.033 0.000 2.093 67 L HA -0.028 4.310 4.340 -0.002 0.000 0.208 67 L C 2.406 179.252 176.870 -0.040 0.000 1.085 67 L CA 2.054 56.875 54.840 -0.032 0.000 0.755 67 L CB -1.013 41.018 42.059 -0.047 0.000 0.904 67 L HN 0.196 nan 8.230 nan 0.000 0.435 68 A N -0.177 122.619 122.820 -0.039 0.000 1.898 68 A HA -0.007 4.312 4.320 -0.002 0.000 0.216 68 A C 2.441 180.031 177.584 0.009 0.000 1.181 68 A CA 1.529 53.547 52.037 -0.031 0.000 0.620 68 A CB -1.186 17.799 19.000 -0.025 0.000 0.819 68 A HN 0.585 nan 8.150 nan 0.000 0.442 69 A N -1.386 121.447 122.820 0.022 0.000 2.070 69 A HA -0.104 4.214 4.320 -0.002 0.000 0.220 69 A C 2.189 179.850 177.584 0.128 0.000 1.159 69 A CA 1.530 53.606 52.037 0.065 0.000 0.656 69 A CB -1.025 17.993 19.000 0.029 0.000 0.800 69 A HN 0.582 nan 8.150 nan 0.000 0.453 70 C N -0.776 118.583 119.300 0.099 0.000 2.518 70 C HA 0.014 4.473 4.460 -0.002 0.000 0.279 70 C C 2.540 177.617 174.990 0.145 0.000 1.279 70 C CA 0.830 59.945 59.018 0.161 0.000 1.703 70 C CB -1.155 26.639 27.740 0.091 0.000 2.072 70 C HN 0.668 nan 8.230 nan 0.000 0.487 71 I N 0.629 121.212 120.570 0.021 0.000 2.264 71 I HA -0.213 3.956 4.170 -0.002 0.000 0.248 71 I C 2.661 178.815 176.117 0.062 0.000 1.111 71 I CA 1.744 63.011 61.300 -0.054 0.000 1.382 71 I CB -0.684 37.185 38.000 -0.218 0.000 1.060 71 I HN 0.309 nan 8.210 nan 0.000 0.418 72 S N 0.825 116.596 115.700 0.118 0.000 2.355 72 S HA -0.193 4.276 4.470 -0.002 0.000 0.222 72 S C 2.041 176.823 174.600 0.303 0.000 1.031 72 S CA 1.126 59.435 58.200 0.182 0.000 0.993 72 S CB -0.408 62.899 63.200 0.178 0.000 0.859 72 S HN 0.461 nan 8.310 nan 0.000 0.453 73 F N 2.232 122.293 119.950 0.185 0.000 2.161 73 F HA -0.023 4.502 4.527 -0.002 0.000 0.300 73 F C 2.093 178.090 175.800 0.328 0.000 1.089 73 F CA 1.187 59.352 58.000 0.275 0.000 1.282 73 F CB -0.883 38.201 39.000 0.140 0.000 1.010 73 F HN 0.070 nan 8.300 nan 0.000 0.485 74 V N 0.610 120.559 119.914 0.058 0.000 2.427 74 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 74 V C 2.501 178.640 176.094 0.075 0.000 1.051 74 V CA 1.908 64.188 62.300 -0.034 0.000 1.048 74 V CB -0.528 31.303 31.823 0.012 0.000 0.666 74 V HN 0.370 nan 8.190 nan 0.000 0.456 75 L N 0.067 121.355 121.223 0.108 0.000 2.044 75 L HA -0.012 4.327 4.340 -0.002 0.000 0.205 75 L C 2.335 179.317 176.870 0.187 0.000 1.075 75 L CA 1.299 56.209 54.840 0.116 0.000 0.747 75 L CB -0.743 41.387 42.059 0.117 0.000 0.903 75 L HN 0.314 nan 8.230 nan 0.000 0.435 76 A N -1.370 121.561 122.820 0.186 0.000 2.207 76 A HA -0.206 4.113 4.320 -0.002 0.000 0.205 76 A C 1.343 178.902 177.584 -0.042 0.000 1.310 76 A CA 0.546 52.609 52.037 0.044 0.000 0.926 76 A CB -1.059 18.020 19.000 0.132 0.000 0.778 76 A HN 0.751 nan 8.150 nan 0.000 0.497 77 W N -1.851 119.435 121.300 -0.024 0.000 1.578 77 W HA 0.342 5.001 4.660 -0.002 0.000 0.264 77 W C -1.153 175.472 176.519 0.176 0.000 0.867 77 W CA -0.227 57.129 57.345 0.020 0.000 1.833 77 W CB 0.561 30.069 29.460 0.081 0.000 1.008 77 W HN 0.260 nan 8.180 nan 0.000 0.460 78 F N 1.122 121.000 119.950 -0.120 0.000 2.729 78 F HA 0.289 4.814 4.527 -0.002 0.000 0.315 78 F C 0.166 175.874 175.800 -0.154 0.000 1.102 78 F CA 0.267 58.186 58.000 -0.136 0.000 1.204 78 F CB 0.305 39.289 39.000 -0.026 0.000 1.052 78 F HN -0.271 nan 8.300 nan 0.000 0.551 79 E N -0.163 119.964 120.200 -0.121 0.000 2.221 79 E HA 0.376 4.724 4.350 -0.002 0.000 0.268 79 E C -0.229 176.238 176.600 -0.222 0.000 0.933 79 E CA -0.298 56.025 56.400 -0.130 0.000 0.809 79 E CB 0.927 30.581 29.700 -0.076 0.000 1.190 79 E HN 0.101 nan 8.360 nan 0.000 0.406 80 E N 0.447 120.539 120.200 -0.181 0.000 3.385 80 E HA 0.318 4.666 4.350 -0.002 0.000 0.206 80 E C -0.584 175.940 176.600 -0.127 0.000 0.997 80 E CA -0.363 55.923 56.400 -0.190 0.000 1.278 80 E CB 0.994 30.577 29.700 -0.195 0.000 1.165 80 E HN 0.494 nan 8.360 nan 0.000 0.452 81 G N 0.282 109.018 108.800 -0.106 0.000 2.420 81 G HA2 0.161 4.120 3.960 -0.002 0.000 0.331 81 G HA3 0.161 4.120 3.960 -0.002 0.000 0.331 81 G C 0.447 175.307 174.900 -0.068 0.000 1.168 81 G CA -0.400 44.657 45.100 -0.072 0.000 0.936 81 G HN 0.066 nan 8.290 nan 0.000 0.479 82 E N 0.372 120.541 120.200 -0.051 0.000 2.106 82 E HA -0.154 4.194 4.350 -0.002 0.000 0.192 82 E C 1.806 178.385 176.600 -0.036 0.000 0.984 82 E CA 1.141 57.517 56.400 -0.041 0.000 0.806 82 E CB 0.286 29.968 29.700 -0.030 0.000 0.750 82 E HN 0.596 nan 8.360 nan 0.000 0.458 83 E N 0.982 121.162 120.200 -0.033 0.000 2.152 83 E HA -0.096 4.252 4.350 -0.002 0.000 0.192 83 E C 1.075 177.655 176.600 -0.035 0.000 0.983 83 E CA 1.212 57.596 56.400 -0.028 0.000 0.818 83 E CB -0.152 29.536 29.700 -0.020 0.000 0.758 83 E HN 0.185 nan 8.360 nan 0.000 0.467 84 T N -0.682 113.846 114.554 -0.045 0.000 4.099 84 T HA 0.112 4.460 4.350 -0.002 0.000 0.223 84 T C 1.018 175.670 174.700 -0.080 0.000 0.968 84 T CA -0.078 61.989 62.100 -0.055 0.000 0.966 84 T CB -0.314 68.520 68.868 -0.057 0.000 1.328 84 T HN 0.156 nan 8.240 nan 0.000 0.783 85 I N 1.478 122.011 120.570 -0.060 0.000 3.265 85 I HA 0.105 4.273 4.170 -0.002 0.000 0.282 85 I C 2.027 178.119 176.117 -0.042 0.000 1.207 85 I CA 0.659 61.927 61.300 -0.055 0.000 1.449 85 I CB -0.092 37.895 38.000 -0.021 0.000 1.121 85 I HN 0.508 nan 8.210 nan 0.000 0.442 86 T N -1.300 113.232 114.554 -0.037 0.000 3.400 86 T HA 0.222 4.571 4.350 -0.002 0.000 0.254 86 T C 1.660 176.353 174.700 -0.011 0.000 1.153 86 T CA 0.493 62.581 62.100 -0.021 0.000 1.012 86 T CB -0.710 68.129 68.868 -0.048 0.000 0.994 86 T HN 0.295 nan 8.240 nan 0.000 0.555 87 A N 0.727 123.509 122.820 -0.063 0.000 2.066 87 A HA 0.247 4.565 4.320 -0.002 0.000 0.218 87 A C 1.217 178.803 177.584 0.003 0.000 1.157 87 A CA 0.418 52.398 52.037 -0.094 0.000 0.670 87 A CB -0.619 18.237 19.000 -0.241 0.000 0.804 87 A HN 0.559 nan 8.150 nan 0.000 0.453 88 F N -1.014 119.006 119.950 0.118 0.000 2.660 88 F HA 0.256 4.782 4.527 -0.002 0.000 0.297 88 F C 1.464 177.343 175.800 0.131 0.000 1.132 88 F CA -0.547 57.538 58.000 0.142 0.000 1.372 88 F CB 0.264 39.324 39.000 0.100 0.000 1.003 88 F HN 0.018 nan 8.300 nan 0.000 0.524 89 V N -1.161 118.933 119.914 0.299 0.000 3.307 89 V HA -0.050 4.069 4.120 -0.002 0.000 0.253 89 V C 2.089 178.351 176.094 0.280 0.000 1.149 89 V CA 0.947 63.424 62.300 0.295 0.000 1.112 89 V CB 0.355 32.257 31.823 0.131 0.000 0.777 89 V HN 0.294 nan 8.190 nan 0.000 0.464 90 E N 1.293 121.632 120.200 0.232 0.000 2.011 90 E HA -0.084 4.264 4.350 -0.002 0.000 0.191 90 E C -0.644 176.091 176.600 0.224 0.000 0.980 90 E CA 1.088 57.603 56.400 0.192 0.000 0.814 90 E CB -0.511 29.285 29.700 0.159 0.000 0.775 90 E HN 0.421 nan 8.360 nan 0.000 0.454 91 P HA -0.135 nan 4.420 nan 0.000 0.236 91 P C 0.891 178.336 177.300 0.243 0.000 1.172 91 P CA 0.791 64.053 63.100 0.271 0.000 0.759 91 P CB -0.093 31.852 31.700 0.408 0.000 0.843 92 F N 0.627 120.633 119.950 0.094 0.000 2.274 92 F HA -0.008 4.518 4.527 -0.002 0.000 0.288 92 F C 2.046 177.862 175.800 0.026 0.000 1.069 92 F CA 0.689 58.705 58.000 0.027 0.000 1.343 92 F CB -0.814 38.220 39.000 0.057 0.000 1.089 92 F HN -0.332 nan 8.300 nan 0.000 0.517 93 V N 1.297 121.160 119.914 -0.085 0.000 2.270 93 V HA -0.295 3.823 4.120 -0.002 0.000 0.245 93 V C 2.558 178.576 176.094 -0.125 0.000 1.043 93 V CA 2.128 64.311 62.300 -0.194 0.000 1.014 93 V CB -0.700 31.117 31.823 -0.009 0.000 0.645 93 V HN 0.336 nan 8.190 nan 0.000 0.447 94 I N -0.289 120.264 120.570 -0.029 0.000 2.113 94 I HA -0.360 3.809 4.170 -0.002 0.000 0.242 94 I C 2.423 178.497 176.117 -0.073 0.000 1.057 94 I CA 1.923 63.205 61.300 -0.030 0.000 1.314 94 I CB -0.454 37.551 38.000 0.009 0.000 1.022 94 I HN 0.284 nan 8.210 nan 0.000 0.408 95 L N 0.070 121.250 121.223 -0.071 0.000 1.971 95 L HA -0.281 4.057 4.340 -0.002 0.000 0.215 95 L C 2.647 179.447 176.870 -0.117 0.000 1.072 95 L CA 1.550 56.342 54.840 -0.080 0.000 0.758 95 L CB -0.754 41.269 42.059 -0.059 0.000 0.889 95 L HN 0.271 nan 8.230 nan 0.000 0.433 96 L N -0.387 120.706 121.223 -0.217 0.000 2.034 96 L HA -0.329 4.010 4.340 -0.002 0.000 0.217 96 L C 2.501 179.288 176.870 -0.139 0.000 1.077 96 L CA 1.716 56.413 54.840 -0.239 0.000 0.769 96 L CB -0.422 41.389 42.059 -0.413 0.000 0.890 96 L HN 0.232 nan 8.230 nan 0.000 0.435 97 I N -0.856 119.641 120.570 -0.122 0.000 2.133 97 I HA -0.325 3.844 4.170 -0.002 0.000 0.238 97 I C 2.334 178.399 176.117 -0.087 0.000 1.074 97 I CA 1.287 62.534 61.300 -0.089 0.000 1.342 97 I CB -0.217 37.738 38.000 -0.075 0.000 1.053 97 I HN 0.183 nan 8.210 nan 0.000 0.404 98 L N 0.303 121.458 121.223 -0.114 0.000 2.129 98 L HA -0.252 4.087 4.340 -0.002 0.000 0.212 98 L C 2.453 179.269 176.870 -0.091 0.000 1.087 98 L CA 1.494 56.229 54.840 -0.175 0.000 0.757 98 L CB -0.599 41.297 42.059 -0.273 0.000 0.896 98 L HN 0.317 nan 8.230 nan 0.000 0.434 99 I N -0.059 120.504 120.570 -0.012 0.000 2.286 99 I HA -0.201 3.968 4.170 -0.002 0.000 0.245 99 I C 2.718 178.870 176.117 0.059 0.000 1.104 99 I CA 1.009 62.360 61.300 0.084 0.000 1.397 99 I CB -0.433 37.590 38.000 0.038 0.000 1.072 99 I HN 0.150 nan 8.210 nan 0.000 0.417 100 A N 0.662 123.482 122.820 -0.000 0.000 2.125 100 A HA -0.171 4.147 4.320 -0.002 0.000 0.219 100 A C 2.024 179.616 177.584 0.014 0.000 1.156 100 A CA 1.414 53.447 52.037 -0.007 0.000 0.671 100 A CB -0.627 18.351 19.000 -0.036 0.000 0.794 100 A HN 0.442 nan 8.150 nan 0.000 0.459 101 N N 0.348 119.062 118.700 0.023 0.000 2.131 101 N HA -0.061 4.678 4.740 -0.002 0.000 0.190 101 N C 2.155 177.726 175.510 0.102 0.000 1.055 101 N CA 1.352 54.425 53.050 0.038 0.000 0.853 101 N CB -0.625 37.861 38.487 -0.002 0.000 1.035 101 N HN 0.338 nan 8.380 nan 0.000 0.440 102 A N 2.069 125.006 122.820 0.194 0.000 1.944 102 A HA -0.245 4.074 4.320 -0.002 0.000 0.222 102 A C 2.312 179.987 177.584 0.152 0.000 1.237 102 A CA 1.855 54.047 52.037 0.258 0.000 0.668 102 A CB -1.257 17.997 19.000 0.424 0.000 0.830 102 A HN 0.378 nan 8.150 nan 0.000 0.471 103 I N -1.070 119.573 120.570 0.121 0.000 2.127 103 I HA -0.257 3.912 4.170 -0.002 0.000 0.241 103 I C 2.354 178.538 176.117 0.111 0.000 1.075 103 I CA 1.667 63.023 61.300 0.092 0.000 1.334 103 I CB -0.576 37.449 38.000 0.041 0.000 1.040 103 I HN 0.205 nan 8.210 nan 0.000 0.405 104 V N 0.993 120.960 119.914 0.088 0.000 2.379 104 V HA -0.154 3.965 4.120 -0.002 0.000 0.245 104 V C 2.581 178.759 176.094 0.141 0.000 1.044 104 V CA 2.099 64.463 62.300 0.106 0.000 1.036 104 V CB -1.223 30.634 31.823 0.058 0.000 0.664 104 V HN 0.586 nan 8.190 nan 0.000 0.453 105 G N -0.329 108.539 108.800 0.114 0.000 2.450 105 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.220 105 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.220 105 G C 1.612 176.577 174.900 0.109 0.000 1.130 105 G CA 1.350 46.512 45.100 0.102 0.000 0.760 105 G HN 0.396 nan 8.290 nan 0.000 0.557 106 V N -0.164 119.828 119.914 0.130 0.000 2.255 106 V HA -0.079 4.040 4.120 -0.002 0.000 0.243 106 V C 2.287 178.475 176.094 0.157 0.000 1.038 106 V CA 1.492 63.866 62.300 0.122 0.000 1.008 106 V CB -0.659 31.238 31.823 0.124 0.000 0.645 106 V HN 0.646 nan 8.190 nan 0.000 0.449 107 W N 1.043 122.355 121.300 0.019 0.000 2.350 107 W HA -0.274 4.384 4.660 -0.002 0.000 0.289 107 W C 2.388 178.915 176.519 0.013 0.000 1.215 107 W CA 2.311 59.665 57.345 0.015 0.000 1.236 107 W CB -0.149 29.319 29.460 0.013 0.000 1.130 107 W HN 0.388 nan 8.180 nan 0.000 0.541 108 Q N 0.980 120.916 119.800 0.227 0.000 2.002 108 Q HA -0.273 4.066 4.340 -0.002 0.000 0.204 108 Q C 2.264 178.274 176.000 0.016 0.000 0.988 108 Q CA 2.497 58.374 55.803 0.124 0.000 0.843 108 Q CB -0.884 27.920 28.738 0.110 0.000 0.908 108 Q HN 0.111 nan 8.270 nan 0.000 0.420 109 E N 0.435 120.643 120.200 0.013 0.000 2.028 109 E HA -0.209 4.140 4.350 -0.002 0.000 0.191 109 E C 2.049 178.602 176.600 -0.079 0.000 0.988 109 E CA 1.338 57.725 56.400 -0.022 0.000 0.799 109 E CB -0.390 29.310 29.700 -0.001 0.000 0.755 109 E HN 0.440 nan 8.360 nan 0.000 0.447 110 R N 0.332 120.767 120.500 -0.108 0.000 2.204 110 R HA -0.166 4.173 4.340 -0.002 0.000 0.253 110 R C 1.254 177.396 176.300 -0.263 0.000 1.172 110 R CA 1.833 57.822 56.100 -0.185 0.000 0.994 110 R CB -0.145 30.012 30.300 -0.238 0.000 0.874 110 R HN 0.139 nan 8.270 nan 0.000 0.462 111 N N -0.378 118.138 118.700 -0.308 0.000 2.280 111 N HA 0.074 4.813 4.740 -0.002 0.000 0.192 111 N C -0.326 175.093 175.510 -0.151 0.000 1.109 111 N CA 0.594 53.473 53.050 -0.284 0.000 0.855 111 N CB 0.881 39.148 38.487 -0.367 0.000 0.974 111 N HN 0.197 nan 8.380 nan 0.000 0.482 112 A N 1.551 124.306 122.820 -0.108 0.000 2.304 112 A HA 0.378 4.697 4.320 -0.002 0.000 0.301 112 A C 0.457 178.006 177.584 -0.057 0.000 1.132 112 A CA -0.430 51.569 52.037 -0.063 0.000 0.819 112 A CB 0.782 19.759 19.000 -0.040 0.000 1.094 112 A HN 0.149 nan 8.150 nan 0.000 0.492 113 E N 1.966 122.141 120.200 -0.042 0.000 2.281 113 E HA 0.343 4.692 4.350 -0.002 0.000 0.262 113 E C -1.259 175.328 176.600 -0.022 0.000 0.933 113 E CA -1.062 55.316 56.400 -0.035 0.000 0.809 113 E CB 0.766 30.445 29.700 -0.036 0.000 1.242 113 E HN 0.412 nan 8.360 nan 0.000 0.418 114 N N -0.055 118.635 118.700 -0.018 0.000 2.499 114 N HA 0.302 5.041 4.740 -0.002 0.000 0.281 114 N C 0.619 176.128 175.510 -0.002 0.000 1.098 114 N CA 0.414 53.458 53.050 -0.009 0.000 0.979 114 N CB 1.467 39.950 38.487 -0.007 0.000 1.121 114 N HN 0.657 nan 8.380 nan 0.000 0.466 115 A N 3.082 125.904 122.820 0.002 0.000 1.940 115 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 115 A C 1.940 179.536 177.584 0.020 0.000 1.176 115 A CA 1.167 53.211 52.037 0.011 0.000 0.631 115 A CB -0.581 18.424 19.000 0.009 0.000 0.814 115 A HN 0.770 nan 8.150 nan 0.000 0.446 116 I N -0.578 120.001 120.570 0.015 0.000 2.394 116 I HA -0.211 3.957 4.170 -0.002 0.000 0.251 116 I C 2.466 178.597 176.117 0.023 0.000 1.136 116 I CA 1.512 62.825 61.300 0.023 0.000 1.425 116 I CB -0.360 37.650 38.000 0.015 0.000 1.079 116 I HN 0.554 nan 8.210 nan 0.000 0.425 117 E N 1.725 121.930 120.200 0.010 0.000 2.267 117 E HA -0.233 4.115 4.350 -0.002 0.000 0.197 117 E C 2.072 178.672 176.600 -0.001 0.000 0.998 117 E CA 1.184 57.585 56.400 0.000 0.000 0.830 117 E CB 0.103 29.797 29.700 -0.011 0.000 0.751 117 E HN 0.513 nan 8.360 nan 0.000 0.491 118 A N 0.489 123.316 122.820 0.012 0.000 2.072 118 A HA 0.039 4.358 4.320 -0.002 0.000 0.216 118 A C 2.047 179.662 177.584 0.052 0.000 1.156 118 A CA 0.208 52.252 52.037 0.012 0.000 0.701 118 A CB -0.185 18.832 19.000 0.028 0.000 0.816 118 A HN 0.262 nan 8.150 nan 0.000 0.458 119 L N -0.439 120.847 121.223 0.105 0.000 2.005 119 L HA -0.141 4.197 4.340 -0.002 0.000 0.207 119 L C 2.120 179.096 176.870 0.177 0.000 1.072 119 L CA 1.425 56.396 54.840 0.218 0.000 0.744 119 L CB -0.426 41.713 42.059 0.134 0.000 0.895 119 L HN 0.271 nan 8.230 nan 0.000 0.433 120 K N 0.098 120.543 120.400 0.075 0.000 2.589 120 K HA -0.168 4.151 4.320 -0.002 0.000 0.195 120 K C 1.416 178.009 176.600 -0.011 0.000 1.042 120 K CA 0.650 56.961 56.287 0.040 0.000 0.940 120 K CB -0.089 32.420 32.500 0.016 0.000 0.776 120 K HN 0.307 nan 8.250 nan 0.000 0.487 121 E N -0.481 119.671 120.200 -0.080 0.000 2.481 121 E HA -0.077 4.271 4.350 -0.002 0.000 0.195 121 E C 0.671 177.061 176.600 -0.350 0.000 1.047 121 E CA 0.760 57.026 56.400 -0.224 0.000 0.867 121 E CB 0.151 29.662 29.700 -0.316 0.000 0.858 121 E HN 0.468 nan 8.360 nan 0.000 0.513 122 Y N 1.081 121.380 120.300 -0.002 0.000 2.449 122 Y HA 0.147 4.696 4.550 -0.002 0.000 0.254 122 Y C 0.448 176.350 175.900 0.005 0.000 1.140 122 Y CA -0.104 57.997 58.100 0.002 0.000 1.272 122 Y CB 0.535 38.997 38.460 0.002 0.000 1.114 122 Y HN -0.091 nan 8.280 nan 0.000 0.525 123 E N 3.243 123.505 120.200 0.104 0.000 2.259 123 E HA 0.163 4.512 4.350 -0.002 0.000 0.281 123 E C -2.341 174.280 176.600 0.035 0.000 1.037 123 E CA -2.003 54.439 56.400 0.070 0.000 0.854 123 E CB 0.481 30.212 29.700 0.051 0.000 1.051 123 E HN 0.055 nan 8.360 nan 0.000 0.409 124 P HA 0.041 nan 4.420 nan 0.000 0.279 124 P C 0.017 177.321 177.300 0.006 0.000 1.252 124 P CA -0.195 62.914 63.100 0.015 0.000 0.811 124 P CB 1.565 33.275 31.700 0.018 0.000 1.035 125 E N 0.844 121.043 120.200 -0.003 0.000 2.060 125 E HA 0.006 4.355 4.350 -0.002 0.000 0.189 125 E C 0.404 177.001 176.600 -0.006 0.000 0.974 125 E CA 0.787 57.183 56.400 -0.007 0.000 0.808 125 E CB 0.061 29.754 29.700 -0.012 0.000 0.768 125 E HN 0.308 nan 8.360 nan 0.000 0.453 126 M N 0.221 119.816 119.600 -0.008 0.000 2.654 126 M HA 0.522 5.001 4.480 -0.002 0.000 0.310 126 M C 0.317 176.609 176.300 -0.014 0.000 1.211 126 M CA -0.593 54.701 55.300 -0.010 0.000 0.947 126 M CB 1.337 33.929 32.600 -0.013 0.000 1.647 126 M HN 0.139 nan 8.290 nan 0.000 0.481 127 G N 0.879 109.666 108.800 -0.021 0.000 2.680 127 G HA2 0.744 4.703 3.960 -0.002 0.000 0.290 127 G HA3 0.744 4.703 3.960 -0.002 0.000 0.290 127 G C -1.553 173.311 174.900 -0.059 0.000 1.355 127 G CA -0.793 44.285 45.100 -0.035 0.000 0.903 127 G HN 0.580 nan 8.290 nan 0.000 0.474 128 K N 0.366 120.710 120.400 -0.094 0.000 2.535 128 K HA 0.572 4.891 4.320 -0.002 0.000 0.253 128 K C -0.485 175.973 176.600 -0.238 0.000 0.953 128 K CA -0.719 55.476 56.287 -0.154 0.000 0.863 128 K CB 2.221 34.623 32.500 -0.164 0.000 1.111 128 K HN 0.580 nan 8.250 nan 0.000 0.431 129 V N -0.340 119.430 119.914 -0.239 0.000 3.155 129 V HA 0.634 4.753 4.120 -0.002 0.000 0.313 129 V C -1.570 174.357 176.094 -0.277 0.000 1.162 129 V CA -0.793 61.354 62.300 -0.254 0.000 1.048 129 V CB 1.493 33.261 31.823 -0.092 0.000 1.092 129 V HN 0.559 nan 8.190 nan 0.000 0.447 130 Y N 0.785 121.077 120.300 -0.014 0.000 2.361 130 Y HA 0.867 5.415 4.550 -0.002 0.000 0.337 130 Y C 0.326 176.217 175.900 -0.014 0.000 0.965 130 Y CA -0.865 57.227 58.100 -0.013 0.000 1.091 130 Y CB 2.091 40.542 38.460 -0.014 0.000 1.182 130 Y HN 0.717 nan 8.280 nan 0.000 0.450 131 R N 0.317 120.912 120.500 0.158 0.000 2.831 131 R HA 0.716 5.055 4.340 -0.002 0.000 0.266 131 R C 0.463 176.794 176.300 0.051 0.000 1.051 131 R CA -0.712 55.433 56.100 0.075 0.000 0.943 131 R CB 1.381 31.709 30.300 0.047 0.000 1.228 131 R HN 0.655 nan 8.270 nan 0.000 0.467 132 A N 0.712 123.547 122.820 0.025 0.000 2.178 132 A HA -0.128 4.190 4.320 -0.002 0.000 0.218 132 A C 0.604 178.196 177.584 0.013 0.000 1.157 132 A CA 1.568 53.612 52.037 0.012 0.000 0.689 132 A CB -0.473 18.528 19.000 0.003 0.000 0.787 132 A HN 0.710 nan 8.150 nan 0.000 0.465 133 D N -0.818 119.594 120.400 0.021 0.000 2.561 133 D HA 0.260 4.899 4.640 -0.002 0.000 0.232 133 D C 0.235 176.550 176.300 0.024 0.000 1.198 133 D CA 0.004 54.016 54.000 0.019 0.000 0.826 133 D CB -0.096 40.715 40.800 0.018 0.000 0.992 133 D HN 0.386 nan 8.370 nan 0.000 0.490 134 R N -0.776 119.739 120.500 0.026 0.000 3.791 134 R HA 0.025 4.364 4.340 -0.002 0.000 0.261 134 R C 0.074 176.387 176.300 0.023 0.000 0.979 134 R CA -0.477 55.640 56.100 0.028 0.000 1.020 134 R CB 0.772 31.097 30.300 0.042 0.000 1.256 134 R HN -0.096 nan 8.270 nan 0.000 0.563 135 K N 0.628 121.030 120.400 0.002 0.000 2.128 135 K HA 0.129 4.448 4.320 -0.002 0.000 0.202 135 K C 0.219 176.803 176.600 -0.026 0.000 1.050 135 K CA 1.001 57.264 56.287 -0.041 0.000 0.966 135 K CB 0.207 32.678 32.500 -0.047 0.000 0.759 135 K HN 0.583 nan 8.250 nan 0.000 0.454 136 S N 1.050 116.772 115.700 0.036 0.000 2.593 136 S HA 0.168 4.636 4.470 -0.002 0.000 0.269 136 S C 0.275 175.005 174.600 0.216 0.000 1.334 136 S CA -0.986 57.271 58.200 0.095 0.000 1.015 136 S CB 1.394 64.633 63.200 0.064 0.000 0.912 136 S HN 0.019 nan 8.310 nan 0.000 0.541 137 V N 2.147 122.248 119.914 0.312 0.000 2.673 137 V HA 0.076 4.195 4.120 -0.002 0.000 0.303 137 V C 0.460 176.602 176.094 0.080 0.000 1.046 137 V CA 0.109 62.556 62.300 0.245 0.000 1.126 137 V CB -0.294 31.572 31.823 0.071 0.000 0.934 137 V HN 0.807 nan 8.190 nan 0.000 0.487 138 Q N 3.359 123.173 119.800 0.023 0.000 2.282 138 Q HA 0.520 4.859 4.340 -0.002 0.000 0.260 138 Q C -0.222 175.755 176.000 -0.037 0.000 0.964 138 Q CA -0.712 55.095 55.803 0.007 0.000 0.880 138 Q CB 2.251 31.003 28.738 0.023 0.000 1.286 138 Q HN 0.689 nan 8.270 nan 0.000 0.445 139 R N 4.006 124.493 120.500 -0.022 0.000 2.272 139 R HA 0.383 4.722 4.340 -0.002 0.000 0.323 139 R C -0.433 175.857 176.300 -0.016 0.000 1.002 139 R CA -0.130 55.952 56.100 -0.030 0.000 0.900 139 R CB 0.139 30.425 30.300 -0.023 0.000 1.151 139 R HN 0.741 nan 8.270 nan 0.000 0.507 140 I N -0.889 119.670 120.570 -0.017 0.000 4.126 140 I HA 0.551 4.720 4.170 -0.002 0.000 0.245 140 I C -0.759 175.356 176.117 -0.003 0.000 1.367 140 I CA -1.380 59.918 61.300 -0.003 0.000 1.178 140 I CB 1.076 39.080 38.000 0.007 0.000 1.495 140 I HN 0.318 nan 8.210 nan 0.000 0.561 141 K N 0.857 121.261 120.400 0.007 0.000 2.265 141 K HA 0.495 4.814 4.320 -0.002 0.000 0.267 141 K C 0.660 177.269 176.600 0.015 0.000 0.994 141 K CA -0.065 56.224 56.287 0.004 0.000 0.860 141 K CB 1.870 34.368 32.500 -0.003 0.000 1.099 141 K HN 0.715 nan 8.250 nan 0.000 0.448 142 A N 4.204 127.030 122.820 0.010 0.000 1.942 142 A HA -0.363 3.955 4.320 -0.002 0.000 0.227 142 A C 2.021 179.630 177.584 0.043 0.000 1.445 142 A CA 2.649 54.698 52.037 0.020 0.000 0.704 142 A CB -0.768 18.243 19.000 0.018 0.000 0.841 142 A HN 0.968 nan 8.150 nan 0.000 0.495 143 R N -1.173 119.351 120.500 0.041 0.000 2.092 143 R HA -0.085 4.254 4.340 -0.002 0.000 0.231 143 R C 0.818 177.229 176.300 0.185 0.000 1.119 143 R CA 1.496 57.646 56.100 0.083 0.000 0.970 143 R CB -0.770 29.523 30.300 -0.012 0.000 0.864 143 R HN 0.408 nan 8.270 nan 0.000 0.440 144 D N 1.139 121.623 120.400 0.141 0.000 2.392 144 D HA 0.059 4.697 4.640 -0.002 0.000 0.228 144 D C 0.535 176.913 176.300 0.130 0.000 1.003 144 D CA 0.608 54.720 54.000 0.187 0.000 0.917 144 D CB 0.004 40.871 40.800 0.112 0.000 0.890 144 D HN 0.333 nan 8.370 nan 0.000 0.532 145 I N 0.904 121.534 120.570 0.100 0.000 2.428 145 I HA 0.105 4.274 4.170 -0.002 0.000 0.289 145 I C 0.301 176.468 176.117 0.084 0.000 1.019 145 I CA -0.410 60.929 61.300 0.066 0.000 1.351 145 I CB 1.717 39.735 38.000 0.031 0.000 1.412 145 I HN -0.337 nan 8.210 nan 0.000 0.513 146 V N 7.478 127.444 119.914 0.086 0.000 2.815 146 V HA 0.363 4.482 4.120 -0.002 0.000 0.314 146 V C -2.290 173.863 176.094 0.098 0.000 1.064 146 V CA -2.082 60.297 62.300 0.131 0.000 0.952 146 V CB 2.374 34.329 31.823 0.220 0.000 1.020 146 V HN 0.563 nan 8.190 nan 0.000 0.439 147 P HA 0.303 nan 4.420 nan 0.000 0.261 147 P C 0.606 177.992 177.300 0.142 0.000 1.203 147 P CA 1.379 64.458 63.100 -0.034 0.000 0.767 147 P CB 0.405 31.891 31.700 -0.358 0.000 0.785 148 G N 3.582 112.167 108.800 -0.359 0.000 2.906 148 G HA2 -0.150 3.808 3.960 -0.002 0.000 0.196 148 G HA3 -0.150 3.808 3.960 -0.002 0.000 0.196 148 G C -0.590 174.192 174.900 -0.196 0.000 2.215 148 G CA -0.150 44.680 45.100 -0.450 0.000 1.518 148 G HN 0.621 nan 8.290 nan 0.000 0.495 149 D N 2.280 122.663 120.400 -0.029 0.000 2.622 149 D HA 0.226 4.864 4.640 -0.002 0.000 0.227 149 D C 0.328 176.598 176.300 -0.049 0.000 1.159 149 D CA 0.164 54.151 54.000 -0.022 0.000 0.865 149 D CB 0.351 41.152 40.800 0.002 0.000 1.207 149 D HN 0.416 nan 8.370 nan 0.000 0.492 150 I N 1.203 121.773 120.570 -0.000 0.000 2.471 150 I HA 0.142 4.310 4.170 -0.002 0.000 0.286 150 I C 0.297 176.396 176.117 -0.029 0.000 1.079 150 I CA -0.338 60.971 61.300 0.016 0.000 1.398 150 I CB 1.093 39.167 38.000 0.123 0.000 1.403 150 I HN 0.203 nan 8.210 nan 0.000 0.530 151 V N 5.825 125.694 119.914 -0.075 0.000 2.864 151 V HA 0.543 4.662 4.120 -0.002 0.000 0.314 151 V C -0.171 175.835 176.094 -0.147 0.000 1.073 151 V CA -0.829 61.383 62.300 -0.147 0.000 0.956 151 V CB 2.044 33.800 31.823 -0.112 0.000 1.023 151 V HN 0.804 nan 8.190 nan 0.000 0.435 152 E N 2.271 122.339 120.200 -0.220 0.000 2.256 152 E HA 0.751 5.100 4.350 -0.002 0.000 0.267 152 E C -2.099 174.436 176.600 -0.109 0.000 0.892 152 E CA -0.505 55.807 56.400 -0.146 0.000 0.775 152 E CB 2.478 32.061 29.700 -0.195 0.000 1.207 152 E HN 0.387 nan 8.360 nan 0.000 0.420 153 V N 1.386 121.263 119.914 -0.061 0.000 2.823 153 V HA 0.796 4.914 4.120 -0.002 0.000 0.312 153 V C -0.431 175.647 176.094 -0.027 0.000 1.072 153 V CA -0.567 61.705 62.300 -0.046 0.000 0.937 153 V CB 1.465 33.264 31.823 -0.040 0.000 1.013 153 V HN 0.889 nan 8.190 nan 0.000 0.430 154 A N 2.039 124.847 122.820 -0.021 0.000 2.423 154 A HA 0.729 5.047 4.320 -0.002 0.000 0.304 154 A C 0.843 178.425 177.584 -0.004 0.000 1.104 154 A CA 0.093 52.125 52.037 -0.009 0.000 0.757 154 A CB 1.770 20.766 19.000 -0.008 0.000 1.313 154 A HN 1.122 nan 8.150 nan 0.000 0.423 155 V N 1.592 121.507 119.914 0.002 0.000 2.277 155 V HA -0.228 3.891 4.120 -0.002 0.000 0.255 155 V C 1.550 177.648 176.094 0.006 0.000 1.074 155 V CA 3.061 65.365 62.300 0.006 0.000 1.058 155 V CB -0.507 31.321 31.823 0.009 0.000 0.656 155 V HN 1.308 nan 8.190 nan 0.000 0.449 156 G N 0.444 109.247 108.800 0.004 0.000 3.782 156 G HA2 0.284 4.243 3.960 -0.002 0.000 0.288 156 G HA3 0.284 4.243 3.960 -0.002 0.000 0.288 156 G C -0.358 174.544 174.900 0.003 0.000 1.300 156 G CA -0.180 44.923 45.100 0.005 0.000 1.261 156 G HN 0.565 nan 8.290 nan 0.000 0.591 157 D N 0.037 120.438 120.400 0.002 0.000 2.433 157 D HA 0.305 4.944 4.640 -0.002 0.000 0.236 157 D C -0.417 175.890 176.300 0.011 0.000 1.026 157 D CA -0.489 53.511 54.000 0.001 0.000 0.884 157 D CB 2.349 43.142 40.800 -0.011 0.000 1.384 157 D HN 0.118 nan 8.370 nan 0.000 0.477 158 K N 0.848 121.257 120.400 0.015 0.000 2.213 158 K HA 0.346 4.664 4.320 -0.002 0.000 0.270 158 K C -0.843 175.774 176.600 0.028 0.000 1.002 158 K CA -0.607 55.700 56.287 0.033 0.000 0.868 158 K CB 1.081 33.606 32.500 0.041 0.000 1.093 158 K HN 0.097 nan 8.250 nan 0.000 0.454 159 V N 7.679 127.614 119.914 0.035 0.000 2.421 159 V HA 0.123 4.242 4.120 -0.002 0.000 0.271 159 V C -1.829 174.283 176.094 0.030 0.000 1.031 159 V CA -1.095 61.218 62.300 0.022 0.000 1.032 159 V CB 0.243 32.079 31.823 0.021 0.000 1.009 159 V HN 0.817 nan 8.190 nan 0.000 0.477 160 P HA 0.491 nan 4.420 nan 0.000 0.292 160 P C -0.221 177.084 177.300 0.008 0.000 1.287 160 P CA 0.349 63.459 63.100 0.017 0.000 0.800 160 P CB 1.472 33.174 31.700 0.004 0.000 0.945 161 A N 3.346 126.179 122.820 0.021 0.000 2.507 161 A HA -0.156 4.163 4.320 -0.002 0.000 0.684 161 A C -0.310 177.273 177.584 -0.002 0.000 0.218 161 A CA 0.246 52.288 52.037 0.009 0.000 0.164 161 A CB -1.696 17.297 19.000 -0.012 0.000 3.954 161 A HN 0.586 nan 8.150 nan 0.000 0.547 162 D N 0.836 121.236 120.400 -0.001 0.000 2.336 162 D HA 0.501 5.139 4.640 -0.002 0.000 0.249 162 D C 0.059 176.311 176.300 -0.080 0.000 1.213 162 D CA 0.495 54.483 54.000 -0.020 0.000 0.870 162 D CB 0.373 41.196 40.800 0.037 0.000 1.076 162 D HN 0.466 nan 8.370 nan 0.000 0.483 163 I N 2.470 122.969 120.570 -0.119 0.000 2.321 163 I HA 0.178 4.347 4.170 -0.002 0.000 0.291 163 I C 0.542 176.574 176.117 -0.142 0.000 0.998 163 I CA -0.965 60.259 61.300 -0.128 0.000 1.227 163 I CB 1.259 39.192 38.000 -0.111 0.000 1.368 163 I HN -0.038 nan 8.210 nan 0.000 0.466 164 R N 7.686 128.115 120.500 -0.118 0.000 2.267 164 R HA 0.356 4.695 4.340 -0.002 0.000 0.319 164 R C -0.778 175.472 176.300 -0.083 0.000 1.067 164 R CA -0.067 55.979 56.100 -0.091 0.000 0.936 164 R CB 0.159 30.420 30.300 -0.065 0.000 1.006 164 R HN 0.520 nan 8.270 nan 0.000 0.452 165 I N 7.186 127.712 120.570 -0.073 0.000 2.452 165 I HA -0.036 4.133 4.170 -0.002 0.000 0.287 165 I C 0.965 177.064 176.117 -0.029 0.000 1.079 165 I CA -0.018 61.250 61.300 -0.053 0.000 1.387 165 I CB 0.738 38.707 38.000 -0.052 0.000 1.404 165 I HN 0.664 nan 8.210 nan 0.000 0.522 166 L N 4.961 126.171 121.223 -0.022 0.000 2.168 166 L HA 0.063 4.401 4.340 -0.002 0.000 0.203 166 L C 0.604 177.476 176.870 0.003 0.000 1.078 166 L CA 0.624 55.459 54.840 -0.008 0.000 0.780 166 L CB -0.082 41.975 42.059 -0.003 0.000 0.939 166 L HN 0.788 nan 8.230 nan 0.000 0.451 167 S N -0.967 114.737 115.700 0.008 0.000 2.548 167 S HA 0.467 4.936 4.470 -0.002 0.000 0.278 167 S C -0.943 173.668 174.600 0.018 0.000 1.150 167 S CA -0.726 57.483 58.200 0.014 0.000 0.907 167 S CB 1.145 64.354 63.200 0.015 0.000 1.108 167 S HN 0.042 nan 8.310 nan 0.000 0.459 168 I N 3.967 124.551 120.570 0.022 0.000 2.310 168 I HA 0.322 4.491 4.170 -0.002 0.000 0.287 168 I C 1.075 177.207 176.117 0.024 0.000 1.073 168 I CA -0.747 60.568 61.300 0.024 0.000 1.216 168 I CB 0.999 39.020 38.000 0.035 0.000 1.415 168 I HN 0.606 nan 8.210 nan 0.000 0.480 169 K N 2.668 123.082 120.400 0.024 0.000 2.032 169 K HA -0.041 4.278 4.320 -0.002 0.000 0.209 169 K C 0.936 177.549 176.600 0.022 0.000 1.048 169 K CA 0.829 57.130 56.287 0.024 0.000 0.927 169 K CB -0.547 31.971 32.500 0.030 0.000 0.712 169 K HN 0.564 nan 8.250 nan 0.000 0.441 170 S N 0.647 116.360 115.700 0.023 0.000 2.598 170 S HA 0.001 4.469 4.470 -0.002 0.000 0.256 170 S C 1.591 176.207 174.600 0.027 0.000 1.350 170 S CA 0.385 58.599 58.200 0.023 0.000 0.984 170 S CB 0.483 63.696 63.200 0.022 0.000 0.930 170 S HN 0.514 nan 8.310 nan 0.000 0.577 171 T N -2.769 111.802 114.554 0.028 0.000 3.055 171 T HA 0.151 4.500 4.350 -0.002 0.000 0.265 171 T C 0.659 175.386 174.700 0.045 0.000 1.111 171 T CA 0.984 63.103 62.100 0.032 0.000 1.118 171 T CB -0.178 68.709 68.868 0.031 0.000 0.909 171 T HN 0.675 nan 8.240 nan 0.000 0.501 172 T N -0.015 114.566 114.554 0.044 0.000 2.885 172 T HA 0.553 4.902 4.350 -0.002 0.000 0.322 172 T C -2.485 172.233 174.700 0.029 0.000 1.387 172 T CA -0.859 61.272 62.100 0.051 0.000 1.041 172 T CB 1.672 70.573 68.868 0.055 0.000 1.287 172 T HN 0.194 nan 8.240 nan 0.000 0.491 173 L N 3.916 125.146 121.223 0.012 0.000 2.349 173 L HA 0.767 5.105 4.340 -0.002 0.000 0.278 173 L C -0.683 176.174 176.870 -0.021 0.000 0.996 173 L CA -0.448 54.387 54.840 -0.008 0.000 0.825 173 L CB 1.277 43.323 42.059 -0.021 0.000 1.243 173 L HN 0.542 nan 8.230 nan 0.000 0.412 174 R N 3.502 123.998 120.500 -0.006 0.000 2.604 174 R HA 0.835 5.173 4.340 -0.002 0.000 0.287 174 R C -1.325 174.975 176.300 0.001 0.000 0.970 174 R CA -0.774 55.325 56.100 -0.001 0.000 0.946 174 R CB 2.058 32.365 30.300 0.011 0.000 1.127 174 R HN 0.442 nan 8.270 nan 0.000 0.473 175 V N 1.356 121.275 119.914 0.008 0.000 2.808 175 V HA 0.172 4.291 4.120 -0.002 0.000 0.308 175 V C -0.880 175.236 176.094 0.037 0.000 1.099 175 V CA -0.948 61.364 62.300 0.021 0.000 0.920 175 V CB 2.596 34.429 31.823 0.018 0.000 1.014 175 V HN 0.576 nan 8.190 nan 0.000 0.425 176 D N 2.754 123.180 120.400 0.043 0.000 2.467 176 D HA 0.332 4.971 4.640 -0.002 0.000 0.220 176 D C 0.575 176.909 176.300 0.056 0.000 1.103 176 D CA -0.067 53.960 54.000 0.045 0.000 0.886 176 D CB 1.457 42.282 40.800 0.043 0.000 1.025 176 D HN 0.587 nan 8.370 nan 0.000 0.514 177 Q N 1.413 121.249 119.800 0.060 0.000 2.319 177 Q HA 0.002 4.341 4.340 -0.002 0.000 0.202 177 Q C 1.945 177.945 176.000 -0.000 0.000 0.896 177 Q CA -0.027 55.813 55.803 0.061 0.000 0.942 177 Q CB 0.357 29.161 28.738 0.110 0.000 1.083 177 Q HN 0.560 nan 8.270 nan 0.000 0.510 178 S N 2.403 118.108 115.700 0.009 0.000 2.402 178 S HA -0.373 4.096 4.470 -0.002 0.000 0.281 178 S C 1.973 176.550 174.600 -0.038 0.000 1.097 178 S CA 1.980 60.178 58.200 -0.004 0.000 1.368 178 S CB -1.236 61.975 63.200 0.017 0.000 1.255 178 S HN 0.566 nan 8.310 nan 0.000 0.450 179 I N 1.585 122.130 120.570 -0.042 0.000 2.182 179 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 179 I C 1.816 177.826 176.117 -0.178 0.000 1.073 179 I CA 2.297 63.534 61.300 -0.106 0.000 1.335 179 I CB -0.865 37.031 38.000 -0.172 0.000 1.031 179 I HN 0.566 nan 8.210 nan 0.000 0.420 180 L N -2.084 119.022 121.223 -0.194 0.000 3.014 180 L HA 0.597 4.936 4.340 -0.002 0.000 0.263 180 L C 0.244 176.977 176.870 -0.228 0.000 1.207 180 L CA 0.053 54.753 54.840 -0.233 0.000 1.017 180 L CB -0.247 41.634 42.059 -0.296 0.000 1.360 180 L HN 0.254 nan 8.230 nan 0.000 0.560 181 T N -1.542 112.916 114.554 -0.159 0.000 2.889 181 T HA 0.560 4.909 4.350 -0.002 0.000 0.315 181 T C 1.028 175.687 174.700 -0.069 0.000 1.291 181 T CA 0.036 62.054 62.100 -0.137 0.000 1.028 181 T CB 1.310 70.086 68.868 -0.153 0.000 1.235 181 T HN 0.349 nan 8.240 nan 0.000 0.491 182 G N 2.824 111.593 108.800 -0.053 0.000 3.903 182 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.260 182 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.260 182 G C -0.121 174.773 174.900 -0.010 0.000 0.882 182 G CA 1.146 46.234 45.100 -0.020 0.000 0.749 182 G HN 0.693 nan 8.290 nan 0.000 1.415 183 E N 0.165 120.367 120.200 0.003 0.000 2.210 183 E HA 0.497 4.845 4.350 -0.002 0.000 0.266 183 E C -0.289 176.318 176.600 0.011 0.000 0.883 183 E CA -0.304 56.099 56.400 0.005 0.000 0.761 183 E CB 1.724 31.425 29.700 0.002 0.000 1.156 183 E HN 0.479 nan 8.360 nan 0.000 0.412 184 S N 1.357 117.064 115.700 0.011 0.000 2.480 184 S HA 0.729 5.198 4.470 -0.002 0.000 0.286 184 S C 0.061 174.672 174.600 0.018 0.000 1.180 184 S CA -0.429 57.782 58.200 0.018 0.000 1.075 184 S CB 1.020 64.231 63.200 0.019 0.000 0.996 184 S HN 0.219 nan 8.310 nan 0.000 0.487 185 V N 1.628 121.556 119.914 0.023 0.000 3.096 185 V HA 0.510 4.629 4.120 -0.002 0.000 0.310 185 V C -0.313 175.796 176.094 0.026 0.000 1.438 185 V CA -0.702 61.610 62.300 0.020 0.000 1.042 185 V CB 2.094 33.926 31.823 0.015 0.000 1.069 185 V HN 1.054 nan 8.190 nan 0.000 0.470 186 S N 0.777 116.492 115.700 0.025 0.000 3.517 186 S HA 0.329 4.798 4.470 -0.002 0.000 0.284 186 S C -0.387 174.229 174.600 0.027 0.000 1.260 186 S CA -0.386 57.830 58.200 0.025 0.000 0.975 186 S CB -0.323 62.891 63.200 0.024 0.000 1.540 186 S HN 0.505 nan 8.310 nan 0.000 0.506 187 V N 4.407 124.339 119.914 0.030 0.000 2.529 187 V HA 0.116 4.234 4.120 -0.002 0.000 0.292 187 V C 0.508 176.601 176.094 -0.002 0.000 1.028 187 V CA -0.327 61.991 62.300 0.030 0.000 1.074 187 V CB -0.445 31.407 31.823 0.048 0.000 0.958 187 V HN 0.675 nan 8.190 nan 0.000 0.481 188 I N 6.063 126.617 120.570 -0.026 0.000 2.886 188 I HA 0.441 4.610 4.170 -0.002 0.000 0.299 188 I C 0.364 176.360 176.117 -0.202 0.000 1.044 188 I CA -0.025 61.212 61.300 -0.105 0.000 1.310 188 I CB 0.553 38.477 38.000 -0.126 0.000 1.441 188 I HN 0.411 nan 8.210 nan 0.000 0.578 189 K N 2.986 123.214 120.400 -0.287 0.000 2.385 189 K HA 0.594 4.912 4.320 -0.002 0.000 0.248 189 K C -1.042 175.312 176.600 -0.410 0.000 0.955 189 K CA -0.796 55.318 56.287 -0.289 0.000 0.816 189 K CB 1.855 34.272 32.500 -0.139 0.000 1.250 189 K HN 0.507 nan 8.250 nan 0.000 0.434 190 H N -0.264 118.818 119.070 0.019 0.000 2.928 190 H HA 0.296 4.850 4.556 -0.002 0.000 0.371 190 H C 0.430 175.756 175.328 -0.004 0.000 1.186 190 H CA -0.571 55.486 56.048 0.015 0.000 1.134 190 H CB 2.014 31.793 29.762 0.027 0.000 1.824 190 H HN 0.412 nan 8.280 nan 0.000 0.554 191 T N 0.488 115.120 114.554 0.130 0.000 2.942 191 T HA -0.053 4.296 4.350 -0.002 0.000 0.265 191 T C 0.564 175.284 174.700 0.033 0.000 1.062 191 T CA 0.630 62.761 62.100 0.053 0.000 1.139 191 T CB 0.058 68.943 68.868 0.029 0.000 0.883 191 T HN 0.638 nan 8.240 nan 0.000 0.468 192 E N 3.078 123.295 120.200 0.027 0.000 2.437 192 E HA 0.090 4.439 4.350 -0.002 0.000 0.263 192 E C -2.369 174.240 176.600 0.016 0.000 1.030 192 E CA -1.472 54.929 56.400 0.002 0.000 0.934 192 E CB -0.015 29.667 29.700 -0.030 0.000 0.943 192 E HN 0.185 nan 8.360 nan 0.000 0.444 193 P HA -0.032 nan 4.420 nan 0.000 0.274 193 P C -0.589 176.728 177.300 0.029 0.000 1.264 193 P CA -0.424 62.681 63.100 0.007 0.000 0.795 193 P CB 0.530 32.217 31.700 -0.021 0.000 1.064 194 V N 1.675 121.620 119.914 0.052 0.000 2.380 194 V HA 0.147 4.265 4.120 -0.002 0.000 0.286 194 V C -1.014 175.112 176.094 0.054 0.000 1.015 194 V CA -1.492 60.864 62.300 0.093 0.000 0.834 194 V CB 1.134 33.087 31.823 0.217 0.000 1.009 194 V HN 0.540 nan 8.190 nan 0.000 0.428 195 P HA -0.210 nan 4.420 nan 0.000 0.217 195 P C 0.452 177.766 177.300 0.023 0.000 1.162 195 P CA 1.240 64.345 63.100 0.009 0.000 0.901 195 P CB 0.269 31.974 31.700 0.009 0.000 0.793 196 D N 0.409 120.847 120.400 0.064 0.000 2.412 196 D HA 0.008 4.647 4.640 -0.002 0.000 0.257 196 D C -0.989 175.398 176.300 0.146 0.000 1.217 196 D CA -1.376 52.675 54.000 0.086 0.000 0.897 196 D CB 1.117 41.971 40.800 0.090 0.000 1.132 196 D HN 0.159 nan 8.370 nan 0.000 0.493 197 P HA -0.076 nan 4.420 nan 0.000 0.220 197 P C 0.372 177.785 177.300 0.189 0.000 1.152 197 P CA 0.533 63.690 63.100 0.094 0.000 0.812 197 P CB 0.390 32.106 31.700 0.027 0.000 0.792 198 R N 0.569 121.142 120.500 0.122 0.000 4.394 198 R HA 0.474 4.812 4.340 -0.002 0.000 0.257 198 R C 0.244 176.590 176.300 0.077 0.000 1.727 198 R CA -0.345 55.809 56.100 0.090 0.000 1.497 198 R CB -0.072 30.264 30.300 0.060 0.000 1.406 198 R HN 0.118 nan 8.270 nan 0.000 0.745 199 A N 0.734 123.606 122.820 0.088 0.000 2.310 199 A HA 0.385 4.703 4.320 -0.002 0.000 0.299 199 A C 0.333 177.886 177.584 -0.052 0.000 1.147 199 A CA -0.557 51.490 52.037 0.017 0.000 0.818 199 A CB 0.930 19.943 19.000 0.022 0.000 1.096 199 A HN 0.190 nan 8.150 nan 0.000 0.495 200 V N 3.849 123.750 119.914 -0.023 0.000 2.572 200 V HA -0.011 4.108 4.120 -0.002 0.000 0.291 200 V C 1.456 177.530 176.094 -0.033 0.000 1.039 200 V CA -0.382 61.897 62.300 -0.036 0.000 1.055 200 V CB 0.284 32.099 31.823 -0.014 0.000 0.969 200 V HN 1.026 nan 8.190 nan 0.000 0.482 201 N N 3.909 122.569 118.700 -0.066 0.000 2.165 201 N HA -0.332 4.407 4.740 -0.002 0.000 0.200 201 N C 1.919 177.510 175.510 0.135 0.000 0.991 201 N CA 2.526 55.562 53.050 -0.024 0.000 0.904 201 N CB -0.260 37.960 38.487 -0.444 0.000 1.068 201 N HN 0.923 nan 8.380 nan 0.000 0.530 202 Q N -0.101 119.723 119.800 0.040 0.000 2.096 202 Q HA -0.138 4.200 4.340 -0.002 0.000 0.204 202 Q C 0.774 176.840 176.000 0.111 0.000 0.982 202 Q CA 1.663 57.526 55.803 0.100 0.000 0.850 202 Q CB -0.385 28.390 28.738 0.060 0.000 0.901 202 Q HN 0.240 nan 8.270 nan 0.000 0.422 203 D N 1.323 121.767 120.400 0.073 0.000 2.350 203 D HA -0.020 4.618 4.640 -0.002 0.000 0.216 203 D C -0.036 176.294 176.300 0.051 0.000 0.968 203 D CA 0.743 54.780 54.000 0.062 0.000 0.894 203 D CB 0.080 40.909 40.800 0.048 0.000 0.909 203 D HN 0.292 nan 8.370 nan 0.000 0.520 204 K N 1.456 121.877 120.400 0.036 0.000 2.307 204 K HA 0.106 4.425 4.320 -0.002 0.000 0.240 204 K C 0.808 177.404 176.600 -0.006 0.000 1.214 204 K CA -0.157 56.117 56.287 -0.022 0.000 1.149 204 K CB 0.595 33.004 32.500 -0.151 0.000 1.668 204 K HN -0.128 nan 8.250 nan 0.000 0.314 205 K N 0.908 121.324 120.400 0.027 0.000 2.442 205 K HA -0.113 4.206 4.320 -0.002 0.000 0.198 205 K C 0.809 177.386 176.600 -0.038 0.000 1.042 205 K CA 0.933 57.222 56.287 0.003 0.000 0.958 205 K CB -0.133 32.395 32.500 0.047 0.000 0.766 205 K HN 0.517 nan 8.250 nan 0.000 0.474 206 N N -0.149 118.537 118.700 -0.024 0.000 2.276 206 N HA 0.019 4.757 4.740 -0.002 0.000 0.212 206 N C 0.026 175.471 175.510 -0.107 0.000 1.127 206 N CA 0.089 53.118 53.050 -0.035 0.000 0.834 206 N CB 0.128 38.623 38.487 0.012 0.000 1.014 206 N HN -0.105 nan 8.380 nan 0.000 0.491 207 M N 0.425 119.894 119.600 -0.219 0.000 2.578 207 M HA 0.396 4.875 4.480 -0.002 0.000 0.321 207 M C -0.664 175.321 176.300 -0.525 0.000 1.182 207 M CA -0.664 54.393 55.300 -0.406 0.000 0.965 207 M CB 1.974 34.188 32.600 -0.643 0.000 1.694 207 M HN -0.017 nan 8.290 nan 0.000 0.461 208 L N 3.208 124.153 121.223 -0.464 0.000 2.337 208 L HA 0.404 4.742 4.340 -0.002 0.000 0.269 208 L C -1.112 175.575 176.870 -0.304 0.000 1.018 208 L CA -0.475 54.168 54.840 -0.329 0.000 0.876 208 L CB 0.524 42.485 42.059 -0.164 0.000 1.236 208 L HN 0.502 nan 8.230 nan 0.000 0.436 209 F N 1.046 120.976 119.950 -0.032 0.000 2.495 209 F HA 0.028 4.554 4.527 -0.002 0.000 0.365 209 F C 1.383 177.165 175.800 -0.031 0.000 1.090 209 F CA 0.185 58.162 58.000 -0.038 0.000 1.235 209 F CB 0.800 39.770 39.000 -0.049 0.000 1.119 209 F HN 0.345 nan 8.300 nan 0.000 0.562 210 S N 2.317 118.124 115.700 0.178 0.000 2.509 210 S HA 0.387 4.856 4.470 -0.002 0.000 0.287 210 S C 1.000 175.650 174.600 0.084 0.000 1.248 210 S CA 0.651 58.909 58.200 0.096 0.000 1.089 210 S CB -0.410 62.834 63.200 0.074 0.000 0.900 210 S HN 1.121 nan 8.310 nan 0.000 0.496 211 G N 3.400 112.255 108.800 0.091 0.000 2.313 211 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.215 211 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.215 211 G C 0.414 175.383 174.900 0.115 0.000 1.023 211 G CA 0.268 45.441 45.100 0.123 0.000 0.626 211 G HN 1.414 nan 8.290 nan 0.000 0.503 212 T N 0.394 115.000 114.554 0.088 0.000 2.802 212 T HA 0.530 4.879 4.350 -0.002 0.000 0.305 212 T C 0.032 174.781 174.700 0.081 0.000 1.053 212 T CA 0.380 62.532 62.100 0.087 0.000 1.058 212 T CB 1.263 70.208 68.868 0.127 0.000 0.988 212 T HN 0.330 nan 8.240 nan 0.000 0.539 213 N N 0.636 119.378 118.700 0.069 0.000 2.319 213 N HA 0.446 5.185 4.740 -0.002 0.000 0.305 213 N C -0.649 174.883 175.510 0.037 0.000 1.103 213 N CA -0.914 52.166 53.050 0.051 0.000 0.815 213 N CB 1.597 40.115 38.487 0.052 0.000 1.288 213 N HN 0.868 nan 8.380 nan 0.000 0.493 214 I N -0.643 119.940 120.570 0.022 0.000 2.322 214 I HA 0.425 4.593 4.170 -0.002 0.000 0.292 214 I C 1.143 177.268 176.117 0.014 0.000 1.060 214 I CA -0.172 61.135 61.300 0.011 0.000 1.309 214 I CB 0.773 38.772 38.000 -0.002 0.000 1.415 214 I HN 0.561 nan 8.210 nan 0.000 0.492 215 A N 5.291 128.121 122.820 0.017 0.000 1.873 215 A HA 0.514 4.832 4.320 -0.002 0.000 0.215 215 A C 1.317 178.910 177.584 0.015 0.000 1.186 215 A CA 1.291 53.339 52.037 0.018 0.000 0.616 215 A CB -0.498 18.515 19.000 0.020 0.000 0.823 215 A HN 1.161 nan 8.150 nan 0.000 0.442 216 A N -3.012 119.816 122.820 0.012 0.000 2.520 216 A HA 0.665 4.983 4.320 -0.002 0.000 0.298 216 A C 0.257 177.848 177.584 0.011 0.000 1.051 216 A CA 0.214 52.259 52.037 0.013 0.000 0.690 216 A CB 0.535 19.545 19.000 0.017 0.000 1.281 216 A HN 2.210 nan 8.150 nan 0.000 0.402 217 G N 0.363 109.170 108.800 0.012 0.000 2.352 217 G HA2 0.408 4.366 3.960 -0.002 0.000 0.324 217 G HA3 0.408 4.366 3.960 -0.002 0.000 0.324 217 G C -0.653 174.252 174.900 0.009 0.000 1.249 217 G CA -0.114 44.993 45.100 0.011 0.000 1.053 217 G HN 1.602 nan 8.290 nan 0.000 0.492 218 K N -0.564 119.842 120.400 0.009 0.000 2.589 218 K HA 0.621 4.939 4.320 -0.002 0.000 0.298 218 K C -0.621 175.985 176.600 0.011 0.000 1.136 218 K CA 0.191 56.483 56.287 0.008 0.000 1.020 218 K CB 0.598 33.107 32.500 0.014 0.000 1.345 218 K HN 2.034 nan 8.250 nan 0.000 0.478 219 A N 3.111 125.933 122.820 0.004 0.000 2.486 219 A HA 0.832 5.151 4.320 -0.002 0.000 0.289 219 A C -1.907 175.681 177.584 0.006 0.000 1.176 219 A CA -0.792 51.249 52.037 0.007 0.000 0.757 219 A CB 1.519 20.517 19.000 -0.004 0.000 1.337 219 A HN 0.528 nan 8.150 nan 0.000 0.423 220 L N -0.130 121.103 121.223 0.016 0.000 2.342 220 L HA 0.868 5.207 4.340 -0.002 0.000 0.271 220 L C 0.260 177.128 176.870 -0.003 0.000 1.008 220 L CA 0.397 55.251 54.840 0.024 0.000 0.818 220 L CB 1.895 43.997 42.059 0.072 0.000 1.296 220 L HN 1.116 nan 8.230 nan 0.000 0.427 221 G N 3.652 112.441 108.800 -0.019 0.000 2.684 221 G HA2 0.500 4.459 3.960 -0.002 0.000 0.290 221 G HA3 0.500 4.459 3.960 -0.002 0.000 0.290 221 G C -1.998 172.863 174.900 -0.065 0.000 1.425 221 G CA -0.571 44.501 45.100 -0.047 0.000 0.822 221 G HN 0.748 nan 8.290 nan 0.000 0.482 222 I N 1.043 121.553 120.570 -0.100 0.000 2.378 222 I HA 0.522 4.690 4.170 -0.002 0.000 0.291 222 I C -0.345 175.637 176.117 -0.226 0.000 0.992 222 I CA -0.928 60.273 61.300 -0.166 0.000 1.154 222 I CB 1.647 39.538 38.000 -0.181 0.000 1.315 222 I HN 0.224 nan 8.210 nan 0.000 0.448 223 V N 8.664 128.420 119.914 -0.263 0.000 2.485 223 V HA 0.070 4.188 4.120 -0.002 0.000 0.287 223 V C 1.162 177.051 176.094 -0.341 0.000 1.022 223 V CA 0.838 62.991 62.300 -0.245 0.000 1.067 223 V CB 0.632 32.348 31.823 -0.179 0.000 0.967 223 V HN 1.007 nan 8.190 nan 0.000 0.479 224 A N 5.278 127.984 122.820 -0.190 0.000 1.831 224 A HA 0.140 4.458 4.320 -0.002 0.000 0.213 224 A C 1.152 178.718 177.584 -0.031 0.000 1.223 224 A CA 1.302 53.280 52.037 -0.099 0.000 0.604 224 A CB -0.187 18.784 19.000 -0.049 0.000 0.878 224 A HN 0.798 nan 8.150 nan 0.000 0.450 225 T N -3.826 110.702 114.554 -0.044 0.000 2.924 225 T HA 0.600 4.948 4.350 -0.002 0.000 0.291 225 T C -0.517 174.156 174.700 -0.046 0.000 1.045 225 T CA -0.180 61.892 62.100 -0.046 0.000 1.015 225 T CB 1.763 70.630 68.868 -0.002 0.000 1.103 225 T HN 0.263 nan 8.240 nan 0.000 0.496 226 T N -0.515 114.012 114.554 -0.045 0.000 2.896 226 T HA 0.688 5.036 4.350 -0.002 0.000 0.297 226 T C 0.643 175.363 174.700 0.034 0.000 1.108 226 T CA 0.976 63.074 62.100 -0.004 0.000 1.004 226 T CB 0.783 69.648 68.868 -0.005 0.000 1.159 226 T HN 1.796 nan 8.240 nan 0.000 0.499 227 G N 1.614 110.446 108.800 0.054 0.000 2.547 227 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.271 227 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.271 227 G C 1.118 176.051 174.900 0.054 0.000 1.209 227 G CA 0.295 45.435 45.100 0.066 0.000 0.959 227 G HN 1.388 nan 8.290 nan 0.000 0.563 228 V N 0.931 120.878 119.914 0.055 0.000 2.867 228 V HA -0.021 4.098 4.120 -0.002 0.000 0.260 228 V C 2.722 178.839 176.094 0.038 0.000 1.099 228 V CA 3.133 65.458 62.300 0.043 0.000 1.122 228 V CB -0.416 31.432 31.823 0.042 0.000 0.708 228 V HN 0.793 nan 8.190 nan 0.000 0.490 229 S N -0.942 114.785 115.700 0.045 0.000 2.461 229 S HA -0.052 4.417 4.470 -0.002 0.000 0.228 229 S C 1.202 175.823 174.600 0.035 0.000 1.005 229 S CA 0.887 59.111 58.200 0.041 0.000 0.942 229 S CB -0.275 62.954 63.200 0.049 0.000 0.776 229 S HN 0.712 nan 8.310 nan 0.000 0.514 230 T N 2.170 116.746 114.554 0.036 0.000 2.946 230 T HA -0.011 4.338 4.350 -0.002 0.000 0.311 230 T C 1.260 175.983 174.700 0.039 0.000 1.063 230 T CA -0.155 61.971 62.100 0.044 0.000 1.139 230 T CB 0.307 69.202 68.868 0.045 0.000 0.994 230 T HN 0.083 nan 8.240 nan 0.000 0.547 231 E N 3.231 123.468 120.200 0.062 0.000 2.217 231 E HA -0.208 4.140 4.350 -0.002 0.000 0.219 231 E C 1.888 178.461 176.600 -0.045 0.000 1.070 231 E CA 1.982 58.389 56.400 0.012 0.000 0.889 231 E CB -0.266 29.444 29.700 0.017 0.000 0.768 231 E HN 0.800 nan 8.360 nan 0.000 0.465 232 I N -0.374 120.175 120.570 -0.036 0.000 2.286 232 I HA -0.139 4.030 4.170 -0.002 0.000 0.245 232 I C 2.501 178.601 176.117 -0.028 0.000 1.104 232 I CA 0.993 62.257 61.300 -0.060 0.000 1.397 232 I CB -0.742 37.223 38.000 -0.058 0.000 1.072 232 I HN 0.128 nan 8.210 nan 0.000 0.417 233 G N 1.657 110.457 108.800 -0.000 0.000 2.513 233 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.219 233 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.219 233 G C 1.663 176.563 174.900 -0.000 0.000 1.160 233 G CA 0.914 46.020 45.100 0.011 0.000 0.767 233 G HN 0.355 nan 8.290 nan 0.000 0.571 234 K N -0.220 120.176 120.400 -0.006 0.000 2.173 234 K HA -0.108 4.211 4.320 -0.002 0.000 0.207 234 K C 2.278 178.862 176.600 -0.028 0.000 1.046 234 K CA 1.041 57.319 56.287 -0.014 0.000 0.929 234 K CB -0.145 32.342 32.500 -0.021 0.000 0.720 234 K HN 0.300 nan 8.250 nan 0.000 0.453 235 I N 0.549 121.096 120.570 -0.038 0.000 2.260 235 I HA -0.165 4.004 4.170 -0.002 0.000 0.237 235 I C 2.469 178.569 176.117 -0.027 0.000 1.075 235 I CA 0.937 62.210 61.300 -0.045 0.000 1.376 235 I CB -1.117 36.843 38.000 -0.066 0.000 1.107 235 I HN 0.199 nan 8.210 nan 0.000 0.420 236 R N 1.203 121.693 120.500 -0.016 0.000 2.208 236 R HA -0.273 4.066 4.340 -0.002 0.000 0.262 236 R C 1.757 178.055 176.300 -0.003 0.000 1.166 236 R CA 2.364 58.462 56.100 -0.002 0.000 0.987 236 R CB -0.280 30.026 30.300 0.011 0.000 0.887 236 R HN 0.400 nan 8.270 nan 0.000 0.459 237 D N 0.210 120.607 120.400 -0.005 0.000 2.088 237 D HA -0.192 4.446 4.640 -0.002 0.000 0.191 237 D C 1.994 178.288 176.300 -0.011 0.000 0.992 237 D CA 1.401 55.398 54.000 -0.004 0.000 0.831 237 D CB -0.553 40.245 40.800 -0.003 0.000 0.973 237 D HN 0.396 nan 8.370 nan 0.000 0.447 238 Q N 0.015 119.803 119.800 -0.019 0.000 2.045 238 Q HA -0.253 4.085 4.340 -0.002 0.000 0.215 238 Q C 2.430 178.417 176.000 -0.021 0.000 1.026 238 Q CA 2.149 57.937 55.803 -0.025 0.000 0.885 238 Q CB -0.286 28.431 28.738 -0.035 0.000 0.984 238 Q HN 0.346 nan 8.270 nan 0.000 0.414 239 M N -0.315 119.274 119.600 -0.019 0.000 2.088 239 M HA -0.251 4.228 4.480 -0.002 0.000 0.256 239 M C 2.360 178.654 176.300 -0.010 0.000 1.071 239 M CA 1.799 57.090 55.300 -0.014 0.000 1.097 239 M CB -0.510 32.084 32.600 -0.010 0.000 1.315 239 M HN 0.308 nan 8.290 nan 0.000 0.406 240 A N 0.164 122.980 122.820 -0.007 0.000 2.019 240 A HA 0.050 4.368 4.320 -0.002 0.000 0.219 240 A C 2.362 179.942 177.584 -0.007 0.000 1.164 240 A CA 1.696 53.731 52.037 -0.004 0.000 0.644 240 A CB -0.838 18.162 19.000 -0.000 0.000 0.805 240 A HN 0.537 nan 8.150 nan 0.000 0.449 241 A N -0.956 121.858 122.820 -0.010 0.000 2.015 241 A HA 0.116 4.434 4.320 -0.002 0.000 0.219 241 A C 1.613 179.188 177.584 -0.015 0.000 1.163 241 A CA 1.549 53.579 52.037 -0.012 0.000 0.646 241 A CB -0.755 18.236 19.000 -0.015 0.000 0.806 241 A HN 0.493 nan 8.150 nan 0.000 0.448 242 T N -0.356 114.188 114.554 -0.017 0.000 2.889 242 T HA 0.457 4.806 4.350 -0.002 0.000 0.291 242 T C -0.655 174.037 174.700 -0.014 0.000 0.995 242 T CA -0.368 61.721 62.100 -0.018 0.000 1.092 242 T CB 1.018 69.873 68.868 -0.021 0.000 0.954 242 T HN 0.314 nan 8.240 nan 0.000 0.506 243 E N 2.980 123.171 120.200 -0.015 0.000 2.234 243 E HA 0.383 4.732 4.350 -0.002 0.000 0.266 243 E C -0.876 175.717 176.600 -0.012 0.000 0.877 243 E CA -0.790 55.602 56.400 -0.012 0.000 0.758 243 E CB 1.130 30.823 29.700 -0.012 0.000 1.170 243 E HN 0.662 nan 8.360 nan 0.000 0.415 244 Q N 3.055 122.849 119.800 -0.010 0.000 2.306 244 Q HA 0.464 4.803 4.340 -0.002 0.000 0.265 244 Q C -0.623 175.373 176.000 -0.007 0.000 1.022 244 Q CA -0.693 55.105 55.803 -0.009 0.000 0.853 244 Q CB 1.342 30.076 28.738 -0.007 0.000 1.327 244 Q HN 0.490 nan 8.270 nan 0.000 0.449 245 D N 1.209 121.605 120.400 -0.007 0.000 2.383 245 D HA 0.173 4.812 4.640 -0.002 0.000 0.248 245 D C -0.209 176.089 176.300 -0.003 0.000 1.170 245 D CA -0.298 53.699 54.000 -0.005 0.000 0.977 245 D CB 1.025 41.822 40.800 -0.006 0.000 1.120 245 D HN 0.376 nan 8.370 nan 0.000 0.481 246 K N 0.205 120.604 120.400 -0.001 0.000 2.270 246 K HA 0.160 4.478 4.320 -0.002 0.000 0.276 246 K C 0.340 176.938 176.600 -0.004 0.000 1.023 246 K CA -0.379 55.908 56.287 0.001 0.000 0.955 246 K CB 0.560 33.064 32.500 0.006 0.000 0.975 246 K HN 0.167 nan 8.250 nan 0.000 0.471 247 T N 3.566 118.117 114.554 -0.005 0.000 2.933 247 T HA 0.017 4.365 4.350 -0.002 0.000 0.306 247 T C -1.308 173.379 174.700 -0.021 0.000 1.045 247 T CA -1.454 60.636 62.100 -0.017 0.000 1.143 247 T CB 0.302 69.162 68.868 -0.014 0.000 1.003 247 T HN 0.448 nan 8.240 nan 0.000 0.540 248 P HA -0.086 nan 4.420 nan 0.000 0.238 248 P C 0.959 178.244 177.300 -0.025 0.000 1.175 248 P CA 0.398 63.475 63.100 -0.038 0.000 0.757 248 P CB 0.192 31.851 31.700 -0.068 0.000 0.839 249 L N -0.224 120.991 121.223 -0.013 0.000 2.349 249 L HA 0.106 4.444 4.340 -0.002 0.000 0.200 249 L C 2.628 179.514 176.870 0.027 0.000 1.064 249 L CA 1.526 56.380 54.840 0.024 0.000 0.821 249 L CB -1.025 41.063 42.059 0.048 0.000 1.027 249 L HN -0.188 nan 8.230 nan 0.000 0.476 250 Q N -0.878 118.934 119.800 0.021 0.000 2.167 250 Q HA -0.239 4.099 4.340 -0.002 0.000 0.202 250 Q C 2.077 178.094 176.000 0.028 0.000 0.970 250 Q CA 1.562 57.380 55.803 0.025 0.000 0.855 250 Q CB -0.156 28.594 28.738 0.020 0.000 0.911 250 Q HN 0.578 nan 8.270 nan 0.000 0.438 251 Q N 1.316 121.129 119.800 0.021 0.000 2.002 251 Q HA -0.180 4.158 4.340 -0.002 0.000 0.204 251 Q C 1.732 177.756 176.000 0.040 0.000 0.988 251 Q CA 1.466 57.283 55.803 0.024 0.000 0.843 251 Q CB 0.107 28.854 28.738 0.015 0.000 0.908 251 Q HN 0.213 nan 8.270 nan 0.000 0.420 252 K N 0.136 120.561 120.400 0.043 0.000 2.360 252 K HA -0.153 4.165 4.320 -0.002 0.000 0.201 252 K C 1.917 178.572 176.600 0.092 0.000 1.046 252 K CA 0.505 56.830 56.287 0.064 0.000 0.940 252 K CB -0.014 32.519 32.500 0.054 0.000 0.748 252 K HN 0.206 nan 8.250 nan 0.000 0.465 253 L N 1.712 122.981 121.223 0.076 0.000 1.948 253 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 253 L C 1.847 178.797 176.870 0.133 0.000 1.074 253 L CA 1.929 56.831 54.840 0.102 0.000 0.753 253 L CB -1.089 41.009 42.059 0.066 0.000 0.888 253 L HN 0.309 nan 8.230 nan 0.000 0.432 254 D N -0.253 120.195 120.400 0.080 0.000 2.133 254 D HA -0.288 4.351 4.640 -0.002 0.000 0.192 254 D C 1.866 178.205 176.300 0.066 0.000 1.001 254 D CA 1.478 55.513 54.000 0.058 0.000 0.844 254 D CB -0.296 40.525 40.800 0.035 0.000 0.944 254 D HN 0.442 nan 8.370 nan 0.000 0.447 255 E N -0.026 120.222 120.200 0.079 0.000 2.068 255 E HA -0.250 4.099 4.350 -0.002 0.000 0.207 255 E C 2.142 178.806 176.600 0.107 0.000 1.032 255 E CA 1.190 57.640 56.400 0.083 0.000 0.839 255 E CB -0.327 29.430 29.700 0.095 0.000 0.758 255 E HN 0.279 nan 8.360 nan 0.000 0.457 256 F N 0.751 120.704 119.950 0.005 0.000 2.102 256 F HA -0.060 4.466 4.527 -0.002 0.000 0.298 256 F C 2.056 177.850 175.800 -0.010 0.000 1.105 256 F CA 2.108 60.107 58.000 -0.001 0.000 1.239 256 F CB -0.754 38.242 39.000 -0.008 0.000 0.991 256 F HN 0.089 nan 8.300 nan 0.000 0.474 257 G N 0.034 108.801 108.800 -0.054 0.000 2.418 257 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.217 257 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.217 257 G C 1.519 176.311 174.900 -0.179 0.000 1.158 257 G CA 0.769 45.765 45.100 -0.172 0.000 0.771 257 G HN 0.348 nan 8.290 nan 0.000 0.545 258 E N 0.519 120.661 120.200 -0.096 0.000 2.070 258 E HA -0.153 4.196 4.350 -0.002 0.000 0.197 258 E C 2.697 179.229 176.600 -0.113 0.000 1.004 258 E CA 1.082 57.436 56.400 -0.076 0.000 0.805 258 E CB -0.208 29.471 29.700 -0.035 0.000 0.744 258 E HN 0.404 nan 8.360 nan 0.000 0.451 259 Q N 0.218 119.929 119.800 -0.148 0.000 2.033 259 Q HA -0.043 4.295 4.340 -0.002 0.000 0.196 259 Q C 2.383 178.233 176.000 -0.251 0.000 0.970 259 Q CA 0.355 56.063 55.803 -0.159 0.000 0.828 259 Q CB -0.729 27.941 28.738 -0.113 0.000 0.895 259 Q HN 0.202 nan 8.270 nan 0.000 0.440 260 L N 1.052 121.990 121.223 -0.475 0.000 2.450 260 L HA -0.141 4.198 4.340 -0.002 0.000 0.225 260 L C 2.067 178.770 176.870 -0.279 0.000 1.145 260 L CA 1.690 56.221 54.840 -0.515 0.000 0.801 260 L CB -0.527 40.991 42.059 -0.902 0.000 0.924 260 L HN 0.109 nan 8.230 nan 0.000 0.447 261 S N -1.833 113.739 115.700 -0.213 0.000 2.456 261 S HA -0.007 4.462 4.470 -0.002 0.000 0.224 261 S C 1.908 176.448 174.600 -0.100 0.000 1.035 261 S CA 0.259 58.379 58.200 -0.133 0.000 0.940 261 S CB 0.033 63.168 63.200 -0.108 0.000 0.799 261 S HN 0.522 nan 8.310 nan 0.000 0.508 262 K N 0.778 121.118 120.400 -0.100 0.000 1.980 262 K HA 0.007 4.325 4.320 -0.002 0.000 0.208 262 K C 2.023 178.581 176.600 -0.070 0.000 1.043 262 K CA 1.381 57.626 56.287 -0.071 0.000 0.938 262 K CB -0.794 31.670 32.500 -0.060 0.000 0.724 262 K HN 0.150 nan 8.250 nan 0.000 0.438 263 V N 2.567 122.430 119.914 -0.085 0.000 2.223 263 V HA -0.362 3.756 4.120 -0.002 0.000 0.253 263 V C 2.325 178.373 176.094 -0.076 0.000 1.061 263 V CA 2.117 64.367 62.300 -0.083 0.000 1.035 263 V CB -0.488 31.273 31.823 -0.104 0.000 0.653 263 V HN 0.327 nan 8.190 nan 0.000 0.454 264 I N 0.570 121.090 120.570 -0.084 0.000 2.132 264 I HA -0.419 3.750 4.170 -0.002 0.000 0.238 264 I C 2.727 178.822 176.117 -0.036 0.000 1.012 264 I CA 2.543 63.807 61.300 -0.060 0.000 1.288 264 I CB -0.791 37.169 38.000 -0.066 0.000 0.997 264 I HN 0.630 nan 8.210 nan 0.000 0.402 265 S N 1.495 117.172 115.700 -0.039 0.000 2.368 265 S HA -0.241 4.227 4.470 -0.002 0.000 0.226 265 S C 1.966 176.562 174.600 -0.007 0.000 1.044 265 S CA 1.687 59.873 58.200 -0.024 0.000 1.062 265 S CB -1.250 61.931 63.200 -0.032 0.000 0.931 265 S HN 0.451 nan 8.310 nan 0.000 0.440 266 L N 1.178 122.391 121.223 -0.017 0.000 2.013 266 L HA -0.146 4.192 4.340 -0.002 0.000 0.212 266 L C 2.738 179.617 176.870 0.016 0.000 1.073 266 L CA 1.750 56.587 54.840 -0.005 0.000 0.753 266 L CB -0.927 41.115 42.059 -0.029 0.000 0.890 266 L HN 0.317 nan 8.230 nan 0.000 0.432 267 I N -0.344 120.222 120.570 -0.008 0.000 2.068 267 I HA -0.408 3.761 4.170 -0.002 0.000 0.238 267 I C 2.647 178.844 176.117 0.134 0.000 1.046 267 I CA 1.777 63.097 61.300 0.032 0.000 1.306 267 I CB -0.640 37.373 38.000 0.021 0.000 1.023 267 I HN 0.425 nan 8.210 nan 0.000 0.399 268 C N 0.120 119.477 119.300 0.096 0.000 2.400 268 C HA -0.107 4.351 4.460 -0.002 0.000 0.291 268 C C 2.791 177.873 174.990 0.153 0.000 1.372 268 C CA 0.359 59.438 59.018 0.102 0.000 1.800 268 C CB -1.238 26.534 27.740 0.053 0.000 1.869 268 C HN 0.409 nan 8.230 nan 0.000 0.533 269 V N 0.815 120.815 119.914 0.144 0.000 2.379 269 V HA -0.056 4.062 4.120 -0.002 0.000 0.243 269 V C 2.676 178.924 176.094 0.257 0.000 1.035 269 V CA 1.952 64.375 62.300 0.206 0.000 1.035 269 V CB -1.058 30.838 31.823 0.122 0.000 0.673 269 V HN 0.544 nan 8.190 nan 0.000 0.457 270 A N -0.026 122.909 122.820 0.191 0.000 1.873 270 A HA -0.133 4.186 4.320 -0.002 0.000 0.215 270 A C 2.381 180.087 177.584 0.203 0.000 1.186 270 A CA 1.976 54.131 52.037 0.196 0.000 0.616 270 A CB -0.713 18.423 19.000 0.226 0.000 0.823 270 A HN 0.279 nan 8.150 nan 0.000 0.442 271 V N -1.536 118.529 119.914 0.252 0.000 2.219 271 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 271 V C 2.270 178.391 176.094 0.044 0.000 1.053 271 V CA 2.248 64.631 62.300 0.139 0.000 1.009 271 V CB -1.183 30.720 31.823 0.132 0.000 0.636 271 V HN 0.921 nan 8.190 nan 0.000 0.445 272 W N 0.481 121.727 121.300 -0.090 0.000 2.331 272 W HA -0.237 4.422 4.660 -0.002 0.000 0.291 272 W C 2.058 178.577 176.519 -0.001 0.000 1.214 272 W CA 1.942 59.215 57.345 -0.120 0.000 1.228 272 W CB -0.325 29.088 29.460 -0.079 0.000 1.135 272 W HN 0.262 nan 8.180 nan 0.000 0.537 273 L N 1.419 122.483 121.223 -0.265 0.000 2.217 273 L HA -0.055 4.284 4.340 -0.002 0.000 0.211 273 L C 2.282 178.949 176.870 -0.338 0.000 1.107 273 L CA 2.009 56.537 54.840 -0.520 0.000 0.783 273 L CB -0.689 41.286 42.059 -0.140 0.000 0.919 273 L HN 0.211 nan 8.230 nan 0.000 0.442 274 I N -3.061 117.404 120.570 -0.175 0.000 2.761 274 I HA -0.002 4.167 4.170 -0.002 0.000 0.261 274 I C 0.802 176.846 176.117 -0.123 0.000 1.198 274 I CA 1.057 62.285 61.300 -0.120 0.000 1.482 274 I CB -0.613 37.340 38.000 -0.078 0.000 1.100 274 I HN 0.124 nan 8.210 nan 0.000 0.445 275 N N 1.053 119.675 118.700 -0.131 0.000 2.546 275 N HA 0.369 5.108 4.740 -0.002 0.000 0.286 275 N C 1.038 176.524 175.510 -0.040 0.000 1.259 275 N CA 0.088 53.139 53.050 0.002 0.000 0.939 275 N CB 0.550 39.188 38.487 0.252 0.000 1.243 275 N HN 0.434 nan 8.380 nan 0.000 0.511 276 I N -0.559 119.898 120.570 -0.188 0.000 2.716 276 I HA -0.050 4.119 4.170 -0.002 0.000 0.259 276 I C 2.335 178.490 176.117 0.063 0.000 1.172 276 I CA 0.473 61.708 61.300 -0.108 0.000 1.478 276 I CB -0.096 37.711 38.000 -0.323 0.000 1.104 276 I HN 0.207 nan 8.210 nan 0.000 0.439 277 G N 0.765 109.509 108.800 -0.094 0.000 2.503 277 G HA2 -0.288 3.670 3.960 -0.002 0.000 0.221 277 G HA3 -0.288 3.670 3.960 -0.002 0.000 0.221 277 G C 1.352 176.183 174.900 -0.115 0.000 1.131 277 G CA 0.768 45.792 45.100 -0.126 0.000 0.756 277 G HN 0.419 nan 8.290 nan 0.000 0.572 278 H N -0.729 118.296 119.070 -0.076 0.000 2.561 278 H HA -0.032 4.522 4.556 -0.002 0.000 0.289 278 H C 1.620 176.738 175.328 -0.351 0.000 1.054 278 H CA 0.754 56.662 56.048 -0.234 0.000 1.210 278 H CB -0.157 29.415 29.762 -0.316 0.000 1.353 278 H HN 0.511 nan 8.280 nan 0.000 0.601 279 F N 0.259 120.197 119.950 -0.019 0.000 2.559 279 F HA 0.012 4.538 4.527 -0.002 0.000 0.286 279 F C 1.473 177.274 175.800 0.001 0.000 1.108 279 F CA 0.117 58.116 58.000 -0.002 0.000 1.436 279 F CB 0.423 39.435 39.000 0.019 0.000 1.130 279 F HN 0.097 nan 8.300 nan 0.000 0.584 280 N N -0.494 118.284 118.700 0.130 0.000 2.610 280 N HA 0.080 4.819 4.740 -0.002 0.000 0.309 280 N C -0.487 175.033 175.510 0.018 0.000 1.536 280 N CA 0.256 53.350 53.050 0.072 0.000 0.954 280 N CB -0.169 38.353 38.487 0.059 0.000 1.310 280 N HN 0.431 nan 8.380 nan 0.000 0.502 281 D N -1.593 118.807 120.400 0.000 0.000 2.424 281 D HA 0.024 4.663 4.640 -0.002 0.000 0.428 281 D C -2.229 174.060 176.300 -0.018 0.000 1.148 281 D CA -0.048 53.937 54.000 -0.026 0.000 0.986 281 D CB -0.931 39.825 40.800 -0.074 0.000 1.461 281 D HN 0.220 nan 8.370 nan 0.000 0.447 282 P HA 0.210 nan 4.420 nan 0.000 0.271 282 P C 0.499 177.848 177.300 0.082 0.000 1.216 282 P CA -0.220 62.906 63.100 0.042 0.000 0.776 282 P CB 2.252 33.965 31.700 0.022 0.000 0.881 283 V N 2.478 122.413 119.914 0.036 0.000 3.043 283 V HA 0.017 4.135 4.120 -0.002 0.000 0.357 283 V C 0.587 176.409 176.094 -0.453 0.000 1.372 283 V CA -0.098 62.092 62.300 -0.183 0.000 1.214 283 V CB -2.347 29.353 31.823 -0.204 0.000 1.224 283 V HN 0.958 nan 8.190 nan 0.000 0.507 284 H N -1.139 118.082 119.070 0.252 0.000 2.557 284 H HA -0.222 4.333 4.556 -0.002 0.000 0.319 284 H C 1.243 176.499 175.328 -0.120 0.000 1.102 284 H CA 0.746 56.815 56.048 0.035 0.000 1.126 284 H CB -1.724 27.984 29.762 -0.090 0.000 1.498 284 H HN 0.403 nan 8.280 nan 0.000 0.411 285 G N -0.860 107.935 108.800 -0.009 0.000 2.623 285 G HA2 0.335 4.294 3.960 -0.002 0.000 0.214 285 G HA3 0.335 4.294 3.960 -0.002 0.000 0.214 285 G C 1.562 176.425 174.900 -0.062 0.000 1.138 285 G CA 0.391 45.462 45.100 -0.048 0.000 0.794 285 G HN 1.572 nan 8.290 nan 0.000 0.535 286 G N -0.138 108.594 108.800 -0.112 0.000 2.376 286 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.208 286 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.208 286 G C 1.559 176.478 174.900 0.032 0.000 1.032 286 G CA 0.777 45.811 45.100 -0.109 0.000 0.641 286 G HN 1.272 nan 8.290 nan 0.000 0.503 287 S N 0.014 115.757 115.700 0.073 0.000 2.641 287 S HA 0.042 4.511 4.470 -0.002 0.000 0.239 287 S C 1.608 176.259 174.600 0.085 0.000 0.972 287 S CA 1.196 59.418 58.200 0.036 0.000 0.954 287 S CB -0.476 62.707 63.200 -0.028 0.000 0.767 287 S HN 0.552 nan 8.310 nan 0.000 0.539 288 W N 2.086 123.304 121.300 -0.136 0.000 2.233 288 W HA 0.041 4.699 4.660 -0.003 0.000 0.321 288 W C 2.201 178.620 176.519 -0.167 0.000 1.187 288 W CA 0.546 57.795 57.345 -0.159 0.000 1.172 288 W CB -1.245 28.146 29.460 -0.114 0.000 1.186 288 W HN 0.245 nan 8.180 nan 0.000 0.456 289 I N 0.156 120.855 120.570 0.215 0.000 2.244 289 I HA -0.426 3.742 4.170 -0.002 0.000 0.252 289 I C 1.962 178.074 176.117 -0.007 0.000 1.062 289 I CA 1.739 63.086 61.300 0.077 0.000 1.342 289 I CB -0.847 37.194 38.000 0.068 0.000 1.031 289 I HN 0.103 nan 8.210 nan 0.000 0.433 290 R N 0.644 121.130 120.500 -0.023 0.000 2.319 290 R HA 0.067 4.405 4.340 -0.002 0.000 0.204 290 R C 1.884 178.096 176.300 -0.146 0.000 0.954 290 R CA 0.566 56.632 56.100 -0.057 0.000 1.066 290 R CB -0.073 30.195 30.300 -0.053 0.000 0.991 290 R HN 0.477 nan 8.270 nan 0.000 0.486 291 G N -0.402 108.268 108.800 -0.217 0.000 2.939 291 G HA2 0.052 4.011 3.960 -0.002 0.000 0.216 291 G HA3 0.052 4.011 3.960 -0.002 0.000 0.216 291 G C 1.179 175.807 174.900 -0.453 0.000 1.125 291 G CA 0.343 45.202 45.100 -0.401 0.000 0.766 291 G HN 0.274 nan 8.290 nan 0.000 0.541 292 A N 0.752 123.393 122.820 -0.298 0.000 1.984 292 A HA 0.296 4.614 4.320 -0.002 0.000 0.214 292 A C 2.072 179.493 177.584 -0.272 0.000 1.173 292 A CA 0.587 52.442 52.037 -0.303 0.000 0.673 292 A CB -0.246 18.575 19.000 -0.299 0.000 0.830 292 A HN 0.343 nan 8.150 nan 0.000 0.453 293 I N -1.403 119.063 120.570 -0.174 0.000 2.700 293 I HA -0.204 3.965 4.170 -0.002 0.000 0.261 293 I C 2.057 178.218 176.117 0.073 0.000 1.219 293 I CA 1.258 62.528 61.300 -0.050 0.000 1.463 293 I CB -0.095 37.900 38.000 -0.008 0.000 1.092 293 I HN 0.529 nan 8.210 nan 0.000 0.452 294 Y N 0.687 120.901 120.300 -0.143 0.000 2.176 294 Y HA -0.263 4.286 4.550 -0.002 0.000 0.291 294 Y C 2.023 177.967 175.900 0.074 0.000 1.122 294 Y CA 1.692 59.732 58.100 -0.101 0.000 1.128 294 Y CB -0.590 37.679 38.460 -0.319 0.000 1.005 294 Y HN 0.144 nan 8.280 nan 0.000 0.509 295 Y N -0.988 119.412 120.300 0.168 0.000 2.224 295 Y HA -0.216 4.332 4.550 -0.002 0.000 0.289 295 Y C 2.308 178.346 175.900 0.231 0.000 1.146 295 Y CA 0.844 59.022 58.100 0.129 0.000 1.182 295 Y CB -1.309 37.273 38.460 0.203 0.000 0.983 295 Y HN 0.173 nan 8.280 nan 0.000 0.524 296 F N 0.777 120.804 119.950 0.127 0.000 2.146 296 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 296 F C 2.272 178.087 175.800 0.026 0.000 1.096 296 F CA 1.568 59.603 58.000 0.058 0.000 1.275 296 F CB -0.729 38.282 39.000 0.019 0.000 1.008 296 F HN 0.151 nan 8.300 nan 0.000 0.480 297 K N -0.065 120.453 120.400 0.196 0.000 2.459 297 K HA 0.027 4.346 4.320 -0.002 0.000 0.193 297 K C 1.758 178.372 176.600 0.025 0.000 1.030 297 K CA 0.863 57.207 56.287 0.095 0.000 1.026 297 K CB -0.269 32.286 32.500 0.092 0.000 0.809 297 K HN 0.377 nan 8.250 nan 0.000 0.504 298 I N 0.192 120.751 120.570 -0.018 0.000 3.645 298 I HA 0.098 4.267 4.170 -0.002 0.000 0.300 298 I C 1.899 178.014 176.117 -0.004 0.000 1.260 298 I CA 0.198 61.451 61.300 -0.079 0.000 1.365 298 I CB 0.314 38.155 38.000 -0.265 0.000 1.077 298 I HN 0.288 nan 8.210 nan 0.000 0.439 299 A N 0.250 123.092 122.820 0.037 0.000 1.903 299 A HA -0.099 4.219 4.320 -0.002 0.000 0.213 299 A C 2.187 179.771 177.584 0.001 0.000 1.185 299 A CA 1.401 53.453 52.037 0.027 0.000 0.628 299 A CB -0.841 18.177 19.000 0.029 0.000 0.830 299 A HN 0.374 nan 8.150 nan 0.000 0.446 300 V N -2.736 117.177 119.914 -0.002 0.000 2.970 300 V HA 0.152 4.271 4.120 -0.002 0.000 0.260 300 V C 2.160 178.265 176.094 0.019 0.000 1.100 300 V CA 1.618 63.918 62.300 0.000 0.000 1.122 300 V CB -0.790 31.039 31.823 0.011 0.000 0.721 300 V HN 0.451 nan 8.190 nan 0.000 0.483 301 A N 0.628 123.462 122.820 0.023 0.000 1.930 301 A HA 0.046 4.365 4.320 -0.002 0.000 0.215 301 A C 2.038 179.638 177.584 0.026 0.000 1.176 301 A CA 1.596 53.651 52.037 0.030 0.000 0.632 301 A CB -0.556 18.458 19.000 0.023 0.000 0.819 301 A HN 0.586 nan 8.150 nan 0.000 0.445 302 L N -0.212 121.023 121.223 0.020 0.000 2.131 302 L HA -0.051 4.287 4.340 -0.002 0.000 0.210 302 L C 2.488 179.363 176.870 0.007 0.000 1.092 302 L CA 1.982 56.835 54.840 0.021 0.000 0.759 302 L CB -0.632 41.442 42.059 0.025 0.000 0.903 302 L HN 0.340 nan 8.230 nan 0.000 0.435 303 A N -0.834 121.986 122.820 0.001 0.000 1.855 303 A HA -0.100 4.218 4.320 -0.002 0.000 0.213 303 A C 2.184 179.767 177.584 -0.002 0.000 1.195 303 A CA 1.481 53.512 52.037 -0.009 0.000 0.610 303 A CB -1.285 17.704 19.000 -0.018 0.000 0.837 303 A HN 0.433 nan 8.150 nan 0.000 0.444 304 V N -2.017 117.903 119.914 0.010 0.000 3.383 304 V HA 0.261 4.379 4.120 -0.002 0.000 0.272 304 V C 1.509 177.613 176.094 0.016 0.000 1.181 304 V CA 1.787 64.097 62.300 0.016 0.000 1.171 304 V CB -0.562 31.283 31.823 0.037 0.000 0.800 304 V HN 0.585 nan 8.190 nan 0.000 0.515 305 A N -1.257 121.571 122.820 0.013 0.000 2.431 305 A HA 0.842 5.161 4.320 -0.002 0.000 0.239 305 A C 1.842 179.428 177.584 0.003 0.000 1.230 305 A CA 0.657 52.700 52.037 0.011 0.000 0.928 305 A CB 0.195 19.207 19.000 0.021 0.000 1.006 305 A HN 0.958 nan 8.150 nan 0.000 0.520 306 A N -0.595 122.226 122.820 0.001 0.000 2.141 306 A HA 0.521 4.839 4.320 -0.002 0.000 0.201 306 A C 0.453 178.057 177.584 0.033 0.000 1.344 306 A CA 0.137 52.174 52.037 -0.001 0.000 0.971 306 A CB 0.153 19.135 19.000 -0.031 0.000 1.035 306 A HN 0.300 nan 8.150 nan 0.000 0.480 307 I N 2.281 122.866 120.570 0.026 0.000 2.365 307 I HA 0.248 4.417 4.170 -0.002 0.000 0.291 307 I C -2.128 174.009 176.117 0.034 0.000 1.004 307 I CA -2.255 59.078 61.300 0.056 0.000 1.311 307 I CB 1.905 39.917 38.000 0.020 0.000 1.401 307 I HN 0.056 nan 8.210 nan 0.000 0.491 308 P HA 0.131 nan 4.420 nan 0.000 0.225 308 P C 0.069 177.346 177.300 -0.039 0.000 1.813 308 P CA -0.149 62.932 63.100 -0.031 0.000 1.013 308 P CB 0.429 32.087 31.700 -0.070 0.000 1.961 309 E N 2.153 122.332 120.200 -0.036 0.000 2.154 309 E HA -0.254 4.095 4.350 -0.002 0.000 0.240 309 E C 2.372 178.936 176.600 -0.061 0.000 1.059 309 E CA 2.636 59.009 56.400 -0.044 0.000 0.954 309 E CB -1.494 28.180 29.700 -0.044 0.000 0.842 309 E HN 0.440 nan 8.360 nan 0.000 0.508 310 G N 0.222 108.971 108.800 -0.085 0.000 2.462 310 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.220 310 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.220 310 G C 1.413 176.258 174.900 -0.092 0.000 1.121 310 G CA 0.834 45.872 45.100 -0.103 0.000 0.758 310 G HN 0.137 nan 8.290 nan 0.000 0.559 311 L N 1.920 123.096 121.223 -0.077 0.000 1.976 311 L HA -0.089 4.249 4.340 -0.002 0.000 0.223 311 L C 0.360 177.223 176.870 -0.012 0.000 1.081 311 L CA 2.509 57.326 54.840 -0.039 0.000 0.784 311 L CB -1.446 40.589 42.059 -0.039 0.000 0.896 311 L HN 0.105 nan 8.230 nan 0.000 0.438 312 P HA -0.299 nan 4.420 nan 0.000 0.221 312 P C 1.491 178.789 177.300 -0.005 0.000 1.160 312 P CA 2.741 65.841 63.100 0.000 0.000 0.933 312 P CB -0.298 31.397 31.700 -0.009 0.000 0.793 313 A N -1.386 121.413 122.820 -0.035 0.000 2.067 313 A HA -0.110 4.208 4.320 -0.002 0.000 0.219 313 A C 2.206 179.744 177.584 -0.075 0.000 1.158 313 A CA 1.506 53.514 52.037 -0.050 0.000 0.661 313 A CB -1.426 17.533 19.000 -0.069 0.000 0.801 313 A HN 0.094 nan 8.150 nan 0.000 0.452 314 V N -0.108 119.743 119.914 -0.106 0.000 2.719 314 V HA -0.158 3.960 4.120 -0.002 0.000 0.252 314 V C 2.257 178.254 176.094 -0.161 0.000 1.065 314 V CA 1.416 63.583 62.300 -0.222 0.000 1.086 314 V CB -0.571 31.040 31.823 -0.354 0.000 0.700 314 V HN 0.553 nan 8.190 nan 0.000 0.467 315 I N 0.643 121.252 120.570 0.065 0.000 2.130 315 I HA -0.215 3.954 4.170 -0.002 0.000 0.234 315 I C 2.879 179.078 176.117 0.136 0.000 1.067 315 I CA 2.028 63.481 61.300 0.255 0.000 1.339 315 I CB -0.807 37.315 38.000 0.202 0.000 1.073 315 I HN 0.400 nan 8.210 nan 0.000 0.405 316 T N -0.073 114.526 114.554 0.075 0.000 2.778 316 T HA -0.229 4.120 4.350 -0.002 0.000 0.269 316 T C 1.882 176.606 174.700 0.040 0.000 1.050 316 T CA 2.519 64.653 62.100 0.057 0.000 1.137 316 T CB -0.821 68.071 68.868 0.040 0.000 0.860 316 T HN 0.554 nan 8.240 nan 0.000 0.468 317 T N -0.782 113.773 114.554 0.003 0.000 2.788 317 T HA -0.146 4.202 4.350 -0.002 0.000 0.268 317 T C 2.343 177.053 174.700 0.017 0.000 1.044 317 T CA 1.258 63.347 62.100 -0.018 0.000 1.139 317 T CB -1.564 67.253 68.868 -0.085 0.000 0.867 317 T HN 0.587 nan 8.240 nan 0.000 0.454 318 C N 0.874 120.194 119.300 0.033 0.000 2.429 318 C HA 0.142 4.600 4.460 -0.002 0.000 0.277 318 C C 2.685 177.761 174.990 0.143 0.000 1.262 318 C CA 0.300 59.391 59.018 0.121 0.000 1.733 318 C CB -1.700 26.194 27.740 0.256 0.000 2.010 318 C HN 0.625 nan 8.230 nan 0.000 0.483 319 L N 1.225 122.520 121.223 0.120 0.000 2.005 319 L HA -0.054 4.285 4.340 -0.002 0.000 0.207 319 L C 3.053 179.966 176.870 0.071 0.000 1.072 319 L CA 1.708 56.606 54.840 0.098 0.000 0.744 319 L CB -0.810 41.302 42.059 0.088 0.000 0.895 319 L HN 0.399 nan 8.230 nan 0.000 0.433 320 A N -0.010 122.845 122.820 0.058 0.000 2.024 320 A HA -0.171 4.147 4.320 -0.002 0.000 0.220 320 A C 2.219 179.824 177.584 0.035 0.000 1.164 320 A CA 1.440 53.502 52.037 0.042 0.000 0.643 320 A CB -0.713 18.308 19.000 0.035 0.000 0.806 320 A HN 0.411 nan 8.150 nan 0.000 0.451 321 L N -1.214 120.037 121.223 0.046 0.000 2.156 321 L HA -0.064 4.274 4.340 -0.002 0.000 0.208 321 L C 2.735 179.617 176.870 0.020 0.000 1.095 321 L CA 1.013 55.869 54.840 0.028 0.000 0.770 321 L CB -0.782 41.314 42.059 0.062 0.000 0.914 321 L HN 0.474 nan 8.230 nan 0.000 0.439 322 G N -0.640 108.189 108.800 0.049 0.000 2.430 322 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.216 322 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.216 322 G C 1.540 176.457 174.900 0.028 0.000 1.146 322 G CA 0.920 46.046 45.100 0.043 0.000 0.793 322 G HN 0.229 nan 8.290 nan 0.000 0.537 323 T N 1.510 116.082 114.554 0.030 0.000 2.569 323 T HA -0.164 4.185 4.350 -0.002 0.000 0.263 323 T C 2.446 177.154 174.700 0.012 0.000 1.074 323 T CA 1.517 63.630 62.100 0.022 0.000 1.176 323 T CB -0.280 68.602 68.868 0.024 0.000 0.863 323 T HN 0.323 nan 8.240 nan 0.000 0.410 324 R N 0.821 121.327 120.500 0.009 0.000 2.140 324 R HA -0.181 4.158 4.340 -0.002 0.000 0.250 324 R C 2.613 178.910 176.300 -0.004 0.000 1.150 324 R CA 1.733 57.834 56.100 0.001 0.000 0.966 324 R CB -0.395 29.903 30.300 -0.003 0.000 0.869 324 R HN 0.324 nan 8.270 nan 0.000 0.445 325 R N 0.934 121.430 120.500 -0.006 0.000 2.080 325 R HA -0.111 4.228 4.340 -0.002 0.000 0.236 325 R C 2.275 178.571 176.300 -0.006 0.000 1.137 325 R CA 2.026 58.120 56.100 -0.011 0.000 0.943 325 R CB -0.127 30.167 30.300 -0.011 0.000 0.846 325 R HN 0.216 nan 8.270 nan 0.000 0.431 326 M N -0.285 119.315 119.600 -0.000 0.000 2.296 326 M HA -0.024 4.454 4.480 -0.002 0.000 0.265 326 M C 2.356 178.653 176.300 -0.005 0.000 1.064 326 M CA 1.408 56.707 55.300 -0.003 0.000 1.109 326 M CB -0.096 32.505 32.600 0.000 0.000 1.396 326 M HN 0.246 nan 8.290 nan 0.000 0.430 327 A N 1.187 124.006 122.820 -0.002 0.000 2.019 327 A HA -0.163 4.155 4.320 -0.002 0.000 0.219 327 A C 2.148 179.730 177.584 -0.003 0.000 1.164 327 A CA 1.562 53.598 52.037 -0.001 0.000 0.644 327 A CB -0.467 18.534 19.000 0.001 0.000 0.805 327 A HN 0.483 nan 8.150 nan 0.000 0.449 328 K N 0.057 120.453 120.400 -0.005 0.000 2.057 328 K HA -0.068 4.251 4.320 -0.002 0.000 0.206 328 K C 0.749 177.345 176.600 -0.007 0.000 1.050 328 K CA 1.239 57.523 56.287 -0.006 0.000 0.935 328 K CB -0.140 32.355 32.500 -0.008 0.000 0.715 328 K HN 0.335 nan 8.250 nan 0.000 0.439 329 K N 1.679 122.074 120.400 -0.009 0.000 3.165 329 K HA 0.095 4.413 4.320 -0.002 0.000 0.270 329 K C -0.326 176.266 176.600 -0.014 0.000 1.111 329 K CA -0.076 56.203 56.287 -0.012 0.000 1.216 329 K CB -0.075 32.416 32.500 -0.015 0.000 1.229 329 K HN 0.167 nan 8.250 nan 0.000 0.435 330 N N -0.537 118.157 118.700 -0.009 0.000 2.853 330 N HA -0.226 4.513 4.740 -0.002 0.000 0.239 330 N C -0.097 175.407 175.510 -0.009 0.000 0.967 330 N CA 1.587 54.632 53.050 -0.008 0.000 0.973 330 N CB -0.934 37.549 38.487 -0.008 0.000 1.104 330 N HN 0.455 nan 8.380 nan 0.000 0.602 331 A N 1.009 123.822 122.820 -0.013 0.000 2.328 331 A HA 0.552 4.871 4.320 -0.002 0.000 0.284 331 A C 0.438 178.019 177.584 -0.005 0.000 1.160 331 A CA -0.198 51.832 52.037 -0.013 0.000 0.818 331 A CB 0.496 19.483 19.000 -0.020 0.000 1.087 331 A HN 0.180 nan 8.150 nan 0.000 0.504 332 I N 4.516 125.085 120.570 -0.002 0.000 2.428 332 I HA 0.159 4.327 4.170 -0.002 0.000 0.279 332 I C -0.190 175.929 176.117 0.004 0.000 1.040 332 I CA -0.419 60.883 61.300 0.002 0.000 1.171 332 I CB 0.724 38.726 38.000 0.004 0.000 1.312 332 I HN 0.257 nan 8.210 nan 0.000 0.470 333 V N 7.375 127.293 119.914 0.007 0.000 2.439 333 V HA 0.165 4.283 4.120 -0.002 0.000 0.271 333 V C 1.776 177.877 176.094 0.010 0.000 1.040 333 V CA -0.359 61.947 62.300 0.009 0.000 1.002 333 V CB 0.575 32.406 31.823 0.013 0.000 1.000 333 V HN 0.643 nan 8.190 nan 0.000 0.477 334 R N 3.038 123.542 120.500 0.008 0.000 2.075 334 R HA -0.058 4.281 4.340 -0.002 0.000 0.230 334 R C 1.110 177.416 176.300 0.010 0.000 1.140 334 R CA 1.609 57.714 56.100 0.007 0.000 0.928 334 R CB -0.316 29.987 30.300 0.005 0.000 0.834 334 R HN 0.783 nan 8.270 nan 0.000 0.429 335 S N 0.984 116.691 115.700 0.011 0.000 2.473 335 S HA 0.508 4.977 4.470 -0.002 0.000 0.307 335 S C -0.274 174.337 174.600 0.019 0.000 1.094 335 S CA -1.055 57.153 58.200 0.014 0.000 1.070 335 S CB 1.655 64.862 63.200 0.011 0.000 1.019 335 S HN 0.191 nan 8.310 nan 0.000 0.480 336 L N 1.709 122.948 121.223 0.026 0.000 2.276 336 L HA 0.936 5.275 4.340 -0.002 0.000 0.286 336 L C -2.360 174.533 176.870 0.038 0.000 1.024 336 L CA -0.927 53.933 54.840 0.033 0.000 0.826 336 L CB 1.189 43.272 42.059 0.040 0.000 1.211 336 L HN 0.640 nan 8.230 nan 0.000 0.422 337 P HA -0.070 nan 4.420 nan 0.000 0.535 337 P C 0.319 177.630 177.300 0.019 0.000 0.723 337 P CA 0.412 63.532 63.100 0.034 0.000 2.509 337 P CB -0.038 31.679 31.700 0.029 0.000 1.141 338 S N -0.215 115.495 115.700 0.017 0.000 2.503 338 S HA 0.095 4.564 4.470 -0.002 0.000 0.215 338 S C 1.638 176.241 174.600 0.005 0.000 1.003 338 S CA 0.897 59.100 58.200 0.006 0.000 0.910 338 S CB -0.527 62.677 63.200 0.007 0.000 0.790 338 S HN -0.102 nan 8.310 nan 0.000 0.514 339 V N 2.018 121.944 119.914 0.020 0.000 2.407 339 V HA -0.151 3.968 4.120 -0.002 0.000 0.248 339 V C 2.496 178.598 176.094 0.014 0.000 1.055 339 V CA 2.177 64.492 62.300 0.025 0.000 1.049 339 V CB -0.926 30.926 31.823 0.048 0.000 0.662 339 V HN 0.623 nan 8.190 nan 0.000 0.455 340 E N 1.348 121.552 120.200 0.008 0.000 2.021 340 E HA -0.317 4.031 4.350 -0.002 0.000 0.200 340 E C 2.311 178.848 176.600 -0.104 0.000 1.015 340 E CA 2.756 59.118 56.400 -0.064 0.000 0.824 340 E CB -0.400 29.239 29.700 -0.101 0.000 0.762 340 E HN 0.746 nan 8.360 nan 0.000 0.454 341 T N 0.681 115.187 114.554 -0.079 0.000 2.721 341 T HA -0.258 4.090 4.350 -0.002 0.000 0.268 341 T C 1.928 176.600 174.700 -0.046 0.000 1.038 341 T CA 1.555 63.616 62.100 -0.065 0.000 1.145 341 T CB -0.546 68.300 68.868 -0.037 0.000 0.858 341 T HN 0.206 nan 8.240 nan 0.000 0.459 342 L N 2.511 123.716 121.223 -0.029 0.000 2.046 342 L HA 0.250 4.588 4.340 -0.002 0.000 0.208 342 L C 2.709 179.566 176.870 -0.022 0.000 1.077 342 L CA 1.969 56.798 54.840 -0.019 0.000 0.747 342 L CB -1.494 40.559 42.059 -0.010 0.000 0.896 342 L HN 0.377 nan 8.230 nan 0.000 0.432 343 G N -0.897 107.887 108.800 -0.027 0.000 2.485 343 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.221 343 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.221 343 G C 0.904 175.782 174.900 -0.036 0.000 1.115 343 G CA 1.048 46.136 45.100 -0.020 0.000 0.751 343 G HN 0.648 nan 8.290 nan 0.000 0.567 344 C N 1.409 120.674 119.300 -0.059 0.000 2.624 344 C HA 0.514 4.972 4.460 -0.002 0.000 0.263 344 C C 0.848 175.822 174.990 -0.027 0.000 1.587 344 C CA -0.865 58.123 59.018 -0.050 0.000 1.718 344 C CB -1.479 26.209 27.740 -0.086 0.000 3.050 344 C HN 0.338 nan 8.230 nan 0.000 0.517 345 T N -1.693 112.853 114.554 -0.013 0.000 2.799 345 T HA 0.179 4.528 4.350 -0.002 0.000 0.296 345 T C 1.024 175.732 174.700 0.014 0.000 0.947 345 T CA 0.647 62.749 62.100 0.003 0.000 1.141 345 T CB 1.482 70.355 68.868 0.008 0.000 0.891 345 T HN 0.465 nan 8.240 nan 0.000 0.533 346 S N 2.748 118.462 115.700 0.023 0.000 2.395 346 S HA 0.166 4.634 4.470 -0.002 0.000 0.225 346 S C 0.565 175.190 174.600 0.040 0.000 1.027 346 S CA 0.179 58.397 58.200 0.030 0.000 0.965 346 S CB -0.124 63.100 63.200 0.040 0.000 0.812 346 S HN 0.677 nan 8.310 nan 0.000 0.482 347 V N 1.000 120.946 119.914 0.052 0.000 3.114 347 V HA 0.546 4.665 4.120 -0.002 0.000 0.308 347 V C -1.199 174.942 176.094 0.079 0.000 1.168 347 V CA -0.852 61.488 62.300 0.066 0.000 1.015 347 V CB 2.105 33.974 31.823 0.077 0.000 1.050 347 V HN 0.229 nan 8.190 nan 0.000 0.433 348 I N 1.876 122.508 120.570 0.102 0.000 2.468 348 I HA 0.361 4.530 4.170 -0.002 0.000 0.284 348 I C -0.939 175.255 176.117 0.130 0.000 1.038 348 I CA -0.133 61.249 61.300 0.137 0.000 1.083 348 I CB 1.628 39.767 38.000 0.230 0.000 1.223 348 I HN 0.499 nan 8.210 nan 0.000 0.443 349 C N 4.890 124.255 119.300 0.109 0.000 2.223 349 C HA 0.557 5.015 4.460 -0.002 0.000 0.324 349 C C 0.719 175.762 174.990 0.089 0.000 1.196 349 C CA -0.393 58.681 59.018 0.094 0.000 1.628 349 C CB -0.265 27.528 27.740 0.089 0.000 2.229 349 C HN 0.801 nan 8.230 nan 0.000 0.486 350 S N 3.113 118.857 115.700 0.074 0.000 2.566 350 S HA 0.537 5.005 4.470 -0.002 0.000 0.298 350 S C -0.782 173.837 174.600 0.031 0.000 1.083 350 S CA -0.670 57.579 58.200 0.082 0.000 0.978 350 S CB 1.138 64.438 63.200 0.167 0.000 1.073 350 S HN 0.671 nan 8.310 nan 0.000 0.491 351 D N 1.170 121.593 120.400 0.038 0.000 2.371 351 D HA 0.169 4.807 4.640 -0.002 0.000 0.242 351 D C 0.709 177.011 176.300 0.003 0.000 1.218 351 D CA -0.303 53.711 54.000 0.024 0.000 0.945 351 D CB 1.045 41.862 40.800 0.028 0.000 1.137 351 D HN 0.674 nan 8.370 nan 0.000 0.464 352 K N -0.139 120.261 120.400 -0.000 0.000 2.139 352 K HA -0.105 4.214 4.320 -0.002 0.000 0.217 352 K C 1.917 178.520 176.600 0.005 0.000 1.025 352 K CA 1.138 57.416 56.287 -0.016 0.000 0.947 352 K CB -0.599 31.895 32.500 -0.011 0.000 0.897 352 K HN 0.532 nan 8.250 nan 0.000 0.457 353 T N -0.500 114.063 114.554 0.016 0.000 2.442 353 T HA -0.303 4.045 4.350 -0.002 0.000 0.237 353 T C 2.001 176.719 174.700 0.030 0.000 1.361 353 T CA 2.025 64.140 62.100 0.025 0.000 1.127 353 T CB -2.045 66.839 68.868 0.027 0.000 0.845 353 T HN 0.513 nan 8.240 nan 0.000 0.433 354 G N 1.451 110.270 108.800 0.033 0.000 2.459 354 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.217 354 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.217 354 G C 1.916 176.844 174.900 0.046 0.000 1.183 354 G CA 2.537 47.660 45.100 0.038 0.000 0.776 354 G HN 0.889 nan 8.290 nan 0.000 0.552 355 T N -0.793 113.794 114.554 0.056 0.000 2.815 355 T HA 0.166 4.514 4.350 -0.002 0.000 0.244 355 T C 2.451 177.201 174.700 0.082 0.000 1.040 355 T CA 0.717 62.867 62.100 0.085 0.000 1.176 355 T CB -0.554 68.391 68.868 0.129 0.000 0.880 355 T HN 0.091 nan 8.240 nan 0.000 0.414 356 L N 1.964 123.213 121.223 0.043 0.000 1.971 356 L HA 0.004 4.343 4.340 -0.002 0.000 0.215 356 L C 1.950 178.829 176.870 0.015 0.000 1.072 356 L CA 1.606 56.445 54.840 -0.001 0.000 0.758 356 L CB -1.317 40.685 42.059 -0.094 0.000 0.889 356 L HN 0.569 nan 8.230 nan 0.000 0.433 357 T N -4.248 110.314 114.554 0.012 0.000 2.913 357 T HA 0.149 4.498 4.350 -0.002 0.000 0.287 357 T C 0.978 175.694 174.700 0.027 0.000 1.008 357 T CA -0.306 61.805 62.100 0.018 0.000 1.067 357 T CB 1.642 70.522 68.868 0.019 0.000 0.996 357 T HN 0.093 nan 8.240 nan 0.000 0.513 358 T N 1.286 115.853 114.554 0.023 0.000 2.915 358 T HA -0.033 4.316 4.350 -0.002 0.000 0.269 358 T C 1.046 175.762 174.700 0.026 0.000 1.071 358 T CA 1.246 63.357 62.100 0.019 0.000 1.132 358 T CB -0.771 68.099 68.868 0.003 0.000 0.878 358 T HN 0.982 nan 8.240 nan 0.000 0.479 359 N N 1.270 119.991 118.700 0.035 0.000 2.814 359 N HA -0.171 4.568 4.740 -0.002 0.000 0.247 359 N C -0.965 174.592 175.510 0.078 0.000 1.089 359 N CA 0.293 53.377 53.050 0.057 0.000 0.682 359 N CB -1.597 36.925 38.487 0.058 0.000 0.970 359 N HN 0.534 nan 8.380 nan 0.000 0.554 360 Q N 0.759 120.591 119.800 0.053 0.000 2.454 360 Q HA 0.313 4.652 4.340 -0.002 0.000 0.255 360 Q C -0.178 175.892 176.000 0.117 0.000 1.034 360 Q CA -0.762 55.052 55.803 0.019 0.000 0.736 360 Q CB 0.948 29.614 28.738 -0.120 0.000 1.210 360 Q HN 0.259 nan 8.270 nan 0.000 0.500 361 M N 2.019 121.822 119.600 0.339 0.000 2.239 361 M HA 0.206 4.684 4.480 -0.002 0.000 0.348 361 M C 0.138 176.629 176.300 0.318 0.000 1.239 361 M CA 0.481 55.959 55.300 0.297 0.000 1.114 361 M CB 0.431 33.161 32.600 0.218 0.000 1.641 361 M HN 0.602 nan 8.290 nan 0.000 0.453 362 S N 1.554 117.351 115.700 0.161 0.000 2.584 362 S HA 0.520 4.989 4.470 -0.002 0.000 0.280 362 S C -0.951 173.691 174.600 0.070 0.000 1.162 362 S CA -1.131 57.141 58.200 0.120 0.000 0.951 362 S CB 0.648 63.897 63.200 0.082 0.000 1.108 362 S HN 0.361 nan 8.310 nan 0.000 0.464 363 V N 2.571 122.520 119.914 0.057 0.000 2.572 363 V HA 0.159 4.278 4.120 -0.002 0.000 0.291 363 V C 0.917 177.026 176.094 0.024 0.000 1.039 363 V CA -0.257 62.071 62.300 0.047 0.000 1.055 363 V CB 0.310 32.156 31.823 0.038 0.000 0.969 363 V HN 1.193 nan 8.190 nan 0.000 0.482 364 C N 3.251 122.554 119.300 0.004 0.000 3.123 364 C HA 0.344 4.803 4.460 -0.002 0.000 0.399 364 C C 0.871 175.805 174.990 -0.093 0.000 1.320 364 C CA -0.283 58.706 59.018 -0.050 0.000 1.949 364 C CB -0.470 27.217 27.740 -0.088 0.000 2.692 364 C HN 0.869 nan 8.230 nan 0.000 0.623 365 K N -0.097 120.251 120.400 -0.088 0.000 2.536 365 K HA 0.715 5.033 4.320 -0.002 0.000 0.269 365 K C -1.157 175.611 176.600 0.279 0.000 0.965 365 K CA -0.261 55.963 56.287 -0.104 0.000 0.860 365 K CB 2.174 34.142 32.500 -0.887 0.000 1.423 365 K HN 0.077 nan 8.250 nan 0.000 0.438 366 M N 1.044 120.941 119.600 0.496 0.000 2.846 366 M HA 0.626 5.104 4.480 -0.002 0.000 0.282 366 M C -1.669 175.115 176.300 0.806 0.000 1.266 366 M CA -1.014 54.596 55.300 0.516 0.000 0.766 366 M CB 2.191 34.916 32.600 0.207 0.000 1.739 366 M HN 0.664 nan 8.290 nan 0.000 0.442 367 F N 1.661 121.832 119.950 0.368 0.000 2.684 367 F HA 0.603 5.129 4.527 -0.002 0.000 0.329 367 F C -2.431 173.494 175.800 0.209 0.000 1.094 367 F CA -1.295 56.897 58.000 0.320 0.000 1.116 367 F CB 0.297 39.432 39.000 0.226 0.000 1.366 367 F HN 0.462 nan 8.300 nan 0.000 0.567 368 I N 2.838 123.562 120.570 0.258 0.000 2.785 368 I HA 0.647 4.815 4.170 -0.002 0.000 0.302 368 I C -0.464 175.804 176.117 0.251 0.000 1.069 368 I CA -1.413 59.939 61.300 0.087 0.000 1.045 368 I CB 1.903 39.919 38.000 0.028 0.000 1.236 368 I HN 0.430 nan 8.210 nan 0.000 0.429 369 I N 2.844 123.554 120.570 0.234 0.000 2.710 369 I HA -0.035 4.133 4.170 -0.002 0.000 0.286 369 I C 0.719 176.941 176.117 0.176 0.000 1.181 369 I CA 0.685 62.129 61.300 0.240 0.000 1.430 369 I CB 0.274 38.413 38.000 0.232 0.000 1.367 369 I HN 0.875 nan 8.210 nan 0.000 0.577 370 D N 4.515 125.008 120.400 0.156 0.000 2.463 370 D HA 0.088 4.727 4.640 -0.002 0.000 0.237 370 D C 0.372 176.744 176.300 0.120 0.000 1.013 370 D CA 0.665 54.743 54.000 0.130 0.000 0.910 370 D CB 0.784 41.644 40.800 0.099 0.000 1.080 370 D HN 0.572 nan 8.370 nan 0.000 0.498 371 K N -0.414 120.054 120.400 0.113 0.000 2.653 371 K HA 0.341 4.660 4.320 -0.002 0.000 0.274 371 K C -2.321 174.342 176.600 0.105 0.000 0.974 371 K CA -0.685 55.665 56.287 0.104 0.000 0.868 371 K CB 1.325 33.884 32.500 0.098 0.000 1.408 371 K HN -0.161 nan 8.250 nan 0.000 0.397 372 V N 3.039 123.011 119.914 0.096 0.000 2.577 372 V HA 0.454 4.573 4.120 -0.002 0.000 0.303 372 V C -0.968 175.171 176.094 0.075 0.000 1.042 372 V CA -0.632 61.722 62.300 0.091 0.000 0.872 372 V CB 1.801 33.672 31.823 0.080 0.000 0.998 372 V HN 0.790 nan 8.190 nan 0.000 0.423 373 D N 2.104 122.551 120.400 0.077 0.000 2.531 373 D HA 0.552 5.191 4.640 -0.002 0.000 0.244 373 D C 1.096 177.358 176.300 -0.063 0.000 1.090 373 D CA 0.544 54.560 54.000 0.027 0.000 0.989 373 D CB 2.667 43.513 40.800 0.075 0.000 1.433 373 D HN 0.623 nan 8.370 nan 0.000 0.492 374 G N 1.288 110.000 108.800 -0.146 0.000 3.761 374 G HA2 -0.344 3.614 3.960 -0.002 0.000 0.287 374 G HA3 -0.344 3.614 3.960 -0.002 0.000 0.287 374 G C 0.631 175.426 174.900 -0.175 0.000 1.028 374 G CA 1.726 46.695 45.100 -0.219 0.000 0.969 374 G HN 0.681 nan 8.290 nan 0.000 1.348 375 D N -0.860 119.381 120.400 -0.264 0.000 2.525 375 D HA 0.181 4.819 4.640 -0.002 0.000 0.231 375 D C -0.234 176.138 176.300 0.120 0.000 1.216 375 D CA -0.336 53.619 54.000 -0.075 0.000 0.813 375 D CB 0.458 41.214 40.800 -0.073 0.000 1.108 375 D HN 0.154 nan 8.370 nan 0.000 0.524 376 F N 1.767 121.721 119.950 0.006 0.000 2.472 376 F HA 0.195 4.720 4.527 -0.002 0.000 0.364 376 F C 0.930 176.736 175.800 0.011 0.000 1.090 376 F CA -1.308 56.695 58.000 0.006 0.000 1.188 376 F CB 0.339 39.344 39.000 0.008 0.000 1.105 376 F HN -0.121 nan 8.300 nan 0.000 0.536 377 C N 2.309 121.729 119.300 0.200 0.000 2.407 377 C HA 0.818 5.277 4.460 -0.002 0.000 0.366 377 C C -0.034 175.005 174.990 0.081 0.000 1.213 377 C CA -0.263 58.824 59.018 0.114 0.000 2.011 377 C CB 1.499 29.282 27.740 0.071 0.000 2.306 377 C HN 0.835 nan 8.230 nan 0.000 0.527 378 S N 2.804 118.549 115.700 0.076 0.000 2.599 378 S HA 0.625 5.094 4.470 -0.002 0.000 0.269 378 S C -1.617 173.032 174.600 0.083 0.000 1.135 378 S CA -0.445 57.791 58.200 0.059 0.000 1.027 378 S CB 0.222 63.460 63.200 0.064 0.000 1.129 378 S HN 0.531 nan 8.310 nan 0.000 0.458 379 L N 3.630 124.894 121.223 0.068 0.000 2.332 379 L HA 0.669 5.008 4.340 -0.002 0.000 0.269 379 L C 0.010 176.928 176.870 0.081 0.000 1.016 379 L CA -0.532 54.390 54.840 0.136 0.000 0.809 379 L CB 1.351 43.496 42.059 0.142 0.000 1.280 379 L HN 0.661 nan 8.230 nan 0.000 0.447 380 N N 0.510 119.296 118.700 0.144 0.000 2.626 380 N HA 0.335 5.074 4.740 -0.002 0.000 0.242 380 N C -1.148 174.377 175.510 0.024 0.000 1.005 380 N CA -0.397 52.637 53.050 -0.027 0.000 0.905 380 N CB 0.908 39.415 38.487 0.034 0.000 1.128 380 N HN 0.503 nan 8.380 nan 0.000 0.512 381 E N 1.522 121.622 120.200 -0.166 0.000 2.277 381 E HA 0.447 4.796 4.350 -0.002 0.000 0.274 381 E C -0.570 175.789 176.600 -0.402 0.000 1.022 381 E CA -0.234 56.183 56.400 0.028 0.000 0.853 381 E CB 1.368 31.120 29.700 0.088 0.000 1.086 381 E HN 0.322 nan 8.360 nan 0.000 0.397 382 F N -0.291 119.739 119.950 0.134 0.000 2.764 382 F HA 0.515 5.041 4.527 -0.002 0.000 0.347 382 F C -0.141 175.648 175.800 -0.019 0.000 1.151 382 F CA -0.767 57.253 58.000 0.033 0.000 1.021 382 F CB 1.923 40.934 39.000 0.018 0.000 1.438 382 F HN 0.226 nan 8.300 nan 0.000 0.516 383 S N 0.830 116.649 115.700 0.198 0.000 2.546 383 S HA 0.737 5.205 4.470 -0.002 0.000 0.272 383 S C -1.647 172.992 174.600 0.065 0.000 1.140 383 S CA -0.416 57.815 58.200 0.052 0.000 0.920 383 S CB 2.112 65.311 63.200 -0.002 0.000 1.083 383 S HN 0.306 nan 8.310 nan 0.000 0.476 384 I N 2.000 122.582 120.570 0.020 0.000 2.466 384 I HA 0.398 4.566 4.170 -0.002 0.000 0.289 384 I C 0.090 176.207 176.117 0.000 0.000 1.026 384 I CA -0.049 61.260 61.300 0.014 0.000 1.078 384 I CB 2.013 40.019 38.000 0.010 0.000 1.249 384 I HN 0.535 nan 8.210 nan 0.000 0.429 385 T N 4.104 118.658 114.554 0.002 0.000 2.882 385 T HA 0.753 5.102 4.350 -0.002 0.000 0.287 385 T C 0.057 174.756 174.700 -0.001 0.000 0.992 385 T CA -0.485 61.614 62.100 -0.002 0.000 1.076 385 T CB 1.254 70.121 68.868 -0.001 0.000 0.961 385 T HN 1.051 nan 8.240 nan 0.000 0.490 386 G N 1.138 109.937 108.800 -0.001 0.000 3.084 386 G HA2 0.088 4.047 3.960 -0.002 0.000 0.543 386 G HA3 0.088 4.047 3.960 -0.002 0.000 0.543 386 G C 0.513 175.416 174.900 0.006 0.000 1.239 386 G CA -0.045 45.057 45.100 0.003 0.000 1.190 386 G HN 0.792 nan 8.290 nan 0.000 0.549 387 S N 0.805 116.502 115.700 -0.005 0.000 2.345 387 S HA 0.080 4.548 4.470 -0.002 0.000 0.219 387 S C 1.449 176.022 174.600 -0.046 0.000 1.031 387 S CA 1.817 60.005 58.200 -0.020 0.000 0.984 387 S CB -0.254 62.928 63.200 -0.030 0.000 0.874 387 S HN 1.145 nan 8.310 nan 0.000 0.451 388 T N 1.811 116.336 114.554 -0.048 0.000 2.856 388 T HA 0.185 4.533 4.350 -0.002 0.000 0.306 388 T C 0.435 175.143 174.700 0.012 0.000 1.062 388 T CA -0.074 61.972 62.100 -0.091 0.000 1.083 388 T CB 0.072 68.941 68.868 0.002 0.000 0.984 388 T HN 0.261 nan 8.240 nan 0.000 0.542 389 Y N 0.375 120.707 120.300 0.053 0.000 2.497 389 Y HA 0.234 4.783 4.550 -0.002 0.000 0.292 389 Y C 1.900 177.779 175.900 -0.036 0.000 1.137 389 Y CA -0.633 57.479 58.100 0.019 0.000 1.285 389 Y CB -1.385 37.104 38.460 0.049 0.000 0.991 389 Y HN 0.716 nan 8.280 nan 0.000 0.556 390 A N 3.309 126.213 122.820 0.140 0.000 2.591 390 A HA -0.004 4.315 4.320 -0.002 0.000 0.244 390 A C -1.727 175.729 177.584 -0.215 0.000 1.031 390 A CA -0.755 51.258 52.037 -0.039 0.000 0.767 390 A CB -0.406 18.758 19.000 0.274 0.000 0.942 390 A HN 0.120 nan 8.150 nan 0.000 0.514 391 P HA 0.110 nan 4.420 nan 0.000 0.235 391 P C -0.818 176.369 177.300 -0.189 0.000 1.720 391 P CA 0.570 63.488 63.100 -0.303 0.000 1.003 391 P CB -0.471 30.998 31.700 -0.385 0.000 1.968 392 E N 0.791 120.930 120.200 -0.103 0.000 2.343 392 E HA 0.620 4.969 4.350 -0.002 0.000 0.260 392 E C 0.000 176.585 176.600 -0.025 0.000 0.908 392 E CA -0.733 55.638 56.400 -0.048 0.000 0.814 392 E CB 1.892 31.585 29.700 -0.012 0.000 1.302 392 E HN 0.317 nan 8.360 nan 0.000 0.408 393 G N 2.084 110.870 108.800 -0.024 0.000 2.342 393 G HA2 0.342 4.300 3.960 -0.002 0.000 0.297 393 G HA3 0.342 4.300 3.960 -0.002 0.000 0.297 393 G C -1.575 173.318 174.900 -0.011 0.000 1.313 393 G CA -0.718 44.374 45.100 -0.013 0.000 0.830 393 G HN 0.251 nan 8.290 nan 0.000 0.506 394 E N -0.735 119.463 120.200 -0.002 0.000 2.292 394 E HA 0.494 4.843 4.350 -0.002 0.000 0.272 394 E C -0.997 175.615 176.600 0.019 0.000 0.881 394 E CA -0.807 55.597 56.400 0.006 0.000 0.754 394 E CB 3.126 32.833 29.700 0.012 0.000 1.201 394 E HN 0.297 nan 8.360 nan 0.000 0.425 395 V N 3.943 123.871 119.914 0.024 0.000 2.498 395 V HA 0.361 4.479 4.120 -0.002 0.000 0.279 395 V C -0.089 176.076 176.094 0.119 0.000 1.048 395 V CA -0.219 62.113 62.300 0.054 0.000 0.967 395 V CB 0.165 31.989 31.823 0.001 0.000 0.988 395 V HN 0.417 nan 8.190 nan 0.000 0.473 396 L N 3.634 124.956 121.223 0.164 0.000 2.445 396 L HA 0.704 5.043 4.340 -0.002 0.000 0.262 396 L C -0.675 176.288 176.870 0.155 0.000 0.974 396 L CA -0.897 54.034 54.840 0.153 0.000 0.822 396 L CB 2.036 44.136 42.059 0.069 0.000 1.339 396 L HN 0.512 nan 8.230 nan 0.000 0.409 397 K N 2.258 122.693 120.400 0.059 0.000 2.450 397 K HA 0.411 4.730 4.320 -0.002 0.000 0.257 397 K C -0.403 176.130 176.600 -0.112 0.000 0.953 397 K CA -0.418 55.763 56.287 -0.177 0.000 0.844 397 K CB 0.814 33.027 32.500 -0.478 0.000 1.103 397 K HN 0.770 nan 8.250 nan 0.000 0.429 398 N N 4.193 122.825 118.700 -0.112 0.000 2.780 398 N HA -0.181 4.557 4.740 -0.002 0.000 0.248 398 N C -0.986 174.500 175.510 -0.039 0.000 1.102 398 N CA 1.297 54.303 53.050 -0.073 0.000 0.697 398 N CB -0.824 37.621 38.487 -0.071 0.000 1.028 398 N HN 1.027 nan 8.380 nan 0.000 0.554 399 D N -1.599 118.783 120.400 -0.031 0.000 3.039 399 D HA -0.209 4.430 4.640 -0.002 0.000 0.222 399 D C 0.151 176.454 176.300 0.005 0.000 1.179 399 D CA 1.733 55.726 54.000 -0.011 0.000 0.880 399 D CB -0.620 40.169 40.800 -0.017 0.000 1.115 399 D HN 0.757 nan 8.370 nan 0.000 0.416 400 K N -0.132 120.277 120.400 0.015 0.000 2.293 400 K HA 0.614 4.933 4.320 -0.002 0.000 0.267 400 K C -2.966 173.671 176.600 0.062 0.000 1.010 400 K CA -1.738 54.569 56.287 0.032 0.000 0.875 400 K CB 1.901 34.421 32.500 0.032 0.000 1.106 400 K HN -0.287 nan 8.250 nan 0.000 0.450 401 P HA -0.052 nan 4.420 nan 0.000 0.268 401 P C -0.716 176.649 177.300 0.108 0.000 1.189 401 P CA 0.329 63.472 63.100 0.072 0.000 0.771 401 P CB 0.394 32.123 31.700 0.048 0.000 0.822 402 I N 0.451 121.100 120.570 0.133 0.000 2.680 402 I HA 0.303 4.472 4.170 -0.002 0.000 0.291 402 I C 0.303 176.502 176.117 0.138 0.000 1.244 402 I CA -1.033 60.381 61.300 0.190 0.000 1.042 402 I CB 2.372 40.580 38.000 0.348 0.000 1.277 402 I HN 0.212 nan 8.210 nan 0.000 0.423 403 R N 2.556 123.123 120.500 0.111 0.000 2.643 403 R HA 0.220 4.559 4.340 -0.002 0.000 0.270 403 R C 0.546 176.887 176.300 0.069 0.000 1.061 403 R CA 0.252 56.381 56.100 0.048 0.000 1.107 403 R CB 0.942 31.247 30.300 0.007 0.000 0.999 403 R HN 0.728 nan 8.270 nan 0.000 0.460 404 S N 1.710 117.407 115.700 -0.005 0.000 2.404 404 S HA -0.013 4.456 4.470 -0.002 0.000 0.223 404 S C 1.745 176.316 174.600 -0.049 0.000 1.040 404 S CA 0.714 58.891 58.200 -0.039 0.000 0.957 404 S CB 0.065 63.190 63.200 -0.125 0.000 0.826 404 S HN 0.900 nan 8.310 nan 0.000 0.491 405 G N 1.578 110.316 108.800 -0.104 0.000 2.485 405 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.221 405 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.221 405 G C 1.148 175.973 174.900 -0.126 0.000 1.115 405 G CA 0.601 45.620 45.100 -0.135 0.000 0.751 405 G HN 0.508 nan 8.290 nan 0.000 0.567 406 Q N -1.023 118.684 119.800 -0.155 0.000 2.439 406 Q HA 0.027 4.366 4.340 -0.002 0.000 0.211 406 Q C -0.428 175.188 176.000 -0.639 0.000 0.978 406 Q CA 0.350 55.930 55.803 -0.371 0.000 0.897 406 Q CB 0.011 28.478 28.738 -0.451 0.000 0.956 406 Q HN 0.513 nan 8.270 nan 0.000 0.483 407 F N -0.578 119.345 119.950 -0.044 0.000 2.547 407 F HA 0.198 4.724 4.527 -0.002 0.000 0.316 407 F C 0.565 176.324 175.800 -0.069 0.000 1.121 407 F CA -1.125 56.858 58.000 -0.027 0.000 0.911 407 F CB 1.648 40.647 39.000 -0.002 0.000 1.179 407 F HN -0.215 nan 8.300 nan 0.000 0.443 408 D N 2.249 122.722 120.400 0.121 0.000 2.077 408 D HA -0.104 4.535 4.640 -0.002 0.000 0.196 408 D C 2.281 178.589 176.300 0.013 0.000 0.986 408 D CA 1.658 55.679 54.000 0.034 0.000 0.829 408 D CB -0.447 40.372 40.800 0.032 0.000 0.983 408 D HN 0.823 nan 8.370 nan 0.000 0.453 409 G N 1.591 110.421 108.800 0.049 0.000 2.661 409 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.224 409 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.224 409 G C 1.784 176.632 174.900 -0.086 0.000 1.114 409 G CA 0.883 45.977 45.100 -0.010 0.000 0.751 409 G HN 0.247 nan 8.290 nan 0.000 0.609 410 L N 0.560 121.730 121.223 -0.088 0.000 2.044 410 L HA -0.046 4.293 4.340 -0.002 0.000 0.205 410 L C 3.167 179.921 176.870 -0.193 0.000 1.075 410 L CA 1.154 55.885 54.840 -0.181 0.000 0.747 410 L CB -0.838 41.085 42.059 -0.226 0.000 0.903 410 L HN 0.280 nan 8.230 nan 0.000 0.435 411 V N -2.125 117.685 119.914 -0.174 0.000 2.469 411 V HA -0.280 3.838 4.120 -0.002 0.000 0.251 411 V C 2.098 178.059 176.094 -0.223 0.000 1.064 411 V CA 2.097 64.251 62.300 -0.242 0.000 1.066 411 V CB -0.610 31.075 31.823 -0.230 0.000 0.667 411 V HN 0.545 nan 8.190 nan 0.000 0.461 412 E N 0.380 120.471 120.200 -0.182 0.000 2.024 412 E HA -0.127 4.222 4.350 -0.002 0.000 0.190 412 E C 2.128 178.575 176.600 -0.254 0.000 0.974 412 E CA 1.105 57.382 56.400 -0.205 0.000 0.810 412 E CB -0.260 29.348 29.700 -0.153 0.000 0.775 412 E HN 0.529 nan 8.360 nan 0.000 0.453 413 L N 1.184 122.269 121.223 -0.231 0.000 2.123 413 L HA -0.284 4.055 4.340 -0.002 0.000 0.217 413 L C 2.177 178.909 176.870 -0.229 0.000 1.081 413 L CA 2.567 57.263 54.840 -0.240 0.000 0.772 413 L CB -0.576 41.344 42.059 -0.231 0.000 0.890 413 L HN 0.243 nan 8.230 nan 0.000 0.437 414 A N -0.906 121.778 122.820 -0.227 0.000 1.855 414 A HA -0.195 4.123 4.320 -0.002 0.000 0.215 414 A C 2.384 179.840 177.584 -0.214 0.000 1.191 414 A CA 2.632 54.543 52.037 -0.211 0.000 0.613 414 A CB -1.468 17.393 19.000 -0.232 0.000 0.829 414 A HN 0.678 nan 8.150 nan 0.000 0.442 415 T N -0.852 113.549 114.554 -0.255 0.000 2.595 415 T HA -0.195 4.154 4.350 -0.002 0.000 0.264 415 T C 1.827 176.298 174.700 -0.381 0.000 1.058 415 T CA 1.531 63.460 62.100 -0.285 0.000 1.166 415 T CB -0.895 67.763 68.868 -0.350 0.000 0.863 415 T HN 0.302 nan 8.240 nan 0.000 0.415 416 I N 1.352 121.601 120.570 -0.534 0.000 2.141 416 I HA -0.358 3.810 4.170 -0.002 0.000 0.243 416 I C 3.080 179.066 176.117 -0.220 0.000 1.035 416 I CA 1.881 62.903 61.300 -0.463 0.000 1.302 416 I CB -0.816 36.995 38.000 -0.315 0.000 1.006 416 I HN 0.476 nan 8.210 nan 0.000 0.413 417 C N 0.391 119.581 119.300 -0.183 0.000 2.386 417 C HA -0.231 4.227 4.460 -0.002 0.000 0.279 417 C C 3.141 178.076 174.990 -0.092 0.000 1.208 417 C CA 1.115 60.063 59.018 -0.117 0.000 1.747 417 C CB -1.449 26.222 27.740 -0.115 0.000 2.046 417 C HN 0.679 nan 8.230 nan 0.000 0.453 418 A N -0.197 122.562 122.820 -0.102 0.000 1.978 418 A HA -0.119 4.199 4.320 -0.002 0.000 0.220 418 A C 2.041 179.603 177.584 -0.037 0.000 1.170 418 A CA 1.758 53.757 52.037 -0.065 0.000 0.636 418 A CB -0.502 18.464 19.000 -0.057 0.000 0.810 418 A HN 0.689 nan 8.150 nan 0.000 0.448 419 L N -2.249 118.948 121.223 -0.044 0.000 2.221 419 L HA 0.044 4.382 4.340 -0.002 0.000 0.202 419 L C 1.809 178.725 176.870 0.077 0.000 1.074 419 L CA 0.330 55.195 54.840 0.040 0.000 0.795 419 L CB -0.225 41.901 42.059 0.111 0.000 0.960 419 L HN 0.387 nan 8.230 nan 0.000 0.458 420 C N 2.202 121.541 119.300 0.064 0.000 2.554 420 C HA 0.237 4.696 4.460 -0.002 0.000 0.434 420 C C 0.378 175.386 174.990 0.030 0.000 1.316 420 C CA -0.387 58.675 59.018 0.073 0.000 1.671 420 C CB -2.367 25.427 27.740 0.090 0.000 2.172 420 C HN 0.316 nan 8.230 nan 0.000 0.601 421 N N 0.708 119.418 118.700 0.017 0.000 2.430 421 N HA 0.204 4.943 4.740 -0.002 0.000 0.290 421 N C -0.267 175.244 175.510 0.001 0.000 1.063 421 N CA -0.145 52.903 53.050 -0.004 0.000 0.883 421 N CB 1.401 39.873 38.487 -0.026 0.000 1.465 421 N HN 0.268 nan 8.380 nan 0.000 0.493 422 D N 0.709 121.109 120.400 -0.000 0.000 2.339 422 D HA 0.143 4.782 4.640 -0.002 0.000 0.217 422 D C -0.036 176.259 176.300 -0.007 0.000 1.050 422 D CA 0.514 54.517 54.000 0.005 0.000 0.856 422 D CB 0.666 41.474 40.800 0.014 0.000 0.922 422 D HN 0.349 nan 8.370 nan 0.000 0.518 423 S N -0.718 114.967 115.700 -0.026 0.000 2.758 423 S HA 0.688 5.156 4.470 -0.002 0.000 0.292 423 S C 0.458 175.034 174.600 -0.039 0.000 1.131 423 S CA -0.587 57.588 58.200 -0.041 0.000 0.997 423 S CB 1.995 65.149 63.200 -0.076 0.000 1.111 423 S HN 0.244 nan 8.310 nan 0.000 0.552 424 S N -0.573 115.101 115.700 -0.043 0.000 2.930 424 S HA 0.754 5.223 4.470 -0.002 0.000 0.306 424 S C -1.893 172.690 174.600 -0.027 0.000 1.238 424 S CA -0.668 57.514 58.200 -0.030 0.000 1.000 424 S CB 0.568 63.767 63.200 -0.002 0.000 1.342 424 S HN 0.462 nan 8.310 nan 0.000 0.575 425 L N 0.933 122.163 121.223 0.012 0.000 2.409 425 L HA 0.860 5.199 4.340 -0.002 0.000 0.262 425 L C -1.914 175.028 176.870 0.120 0.000 0.992 425 L CA -0.006 54.871 54.840 0.060 0.000 0.817 425 L CB 2.017 44.098 42.059 0.037 0.000 1.350 425 L HN 1.011 nan 8.230 nan 0.000 0.411 426 D N 1.284 121.798 120.400 0.191 0.000 2.857 426 D HA 0.488 5.126 4.640 -0.002 0.000 0.227 426 D C -1.858 174.649 176.300 0.345 0.000 1.192 426 D CA -0.237 53.893 54.000 0.216 0.000 0.857 426 D CB 1.724 42.599 40.800 0.125 0.000 1.645 426 D HN 0.295 nan 8.370 nan 0.000 0.482 427 F N 2.884 122.934 119.950 0.166 0.000 2.480 427 F HA 0.606 5.132 4.527 -0.002 0.000 0.329 427 F C -0.949 174.846 175.800 -0.009 0.000 1.091 427 F CA -0.800 57.243 58.000 0.071 0.000 0.972 427 F CB 1.163 40.204 39.000 0.069 0.000 1.150 427 F HN 0.412 nan 8.300 nan 0.000 0.467 428 N N 2.258 120.364 118.700 -0.990 0.000 2.272 428 N HA 0.365 5.104 4.740 -0.002 0.000 0.305 428 N C -0.636 174.230 175.510 -1.074 0.000 1.103 428 N CA -0.628 51.942 53.050 -0.801 0.000 0.791 428 N CB 1.791 40.066 38.487 -0.353 0.000 1.356 428 N HN 0.466 nan 8.380 nan 0.000 0.486 429 E N -0.583 119.243 120.200 -0.623 0.000 2.318 429 E HA -0.042 4.307 4.350 -0.002 0.000 0.193 429 E C 1.276 177.744 176.600 -0.221 0.000 0.998 429 E CA 1.105 57.273 56.400 -0.388 0.000 0.859 429 E CB -0.129 29.448 29.700 -0.204 0.000 0.812 429 E HN 0.879 nan 8.360 nan 0.000 0.492 430 T N -1.132 113.304 114.554 -0.196 0.000 2.881 430 T HA -0.084 4.264 4.350 -0.002 0.000 0.270 430 T C 1.555 176.195 174.700 -0.101 0.000 1.068 430 T CA 1.128 63.157 62.100 -0.119 0.000 1.131 430 T CB 0.020 68.830 68.868 -0.097 0.000 0.871 430 T HN 0.022 nan 8.240 nan 0.000 0.479 431 K N -0.630 119.692 120.400 -0.130 0.000 2.562 431 K HA 0.395 4.714 4.320 -0.002 0.000 0.218 431 K C 1.270 177.828 176.600 -0.070 0.000 1.374 431 K CA 0.274 56.511 56.287 -0.082 0.000 0.996 431 K CB 1.012 33.473 32.500 -0.064 0.000 1.127 431 K HN 0.319 nan 8.250 nan 0.000 0.603 432 G N 1.953 110.671 108.800 -0.136 0.000 2.153 432 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.252 432 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.252 432 G C 0.052 175.050 174.900 0.165 0.000 0.994 432 G CA 0.477 45.588 45.100 0.019 0.000 0.698 432 G HN 0.094 nan 8.290 nan 0.000 0.521 433 V N -0.735 119.196 119.914 0.029 0.000 3.096 433 V HA 0.669 4.788 4.120 -0.002 0.000 0.319 433 V C -0.056 176.093 176.094 0.092 0.000 1.103 433 V CA -1.338 60.990 62.300 0.046 0.000 1.016 433 V CB 1.606 33.453 31.823 0.040 0.000 1.090 433 V HN 0.147 nan 8.190 nan 0.000 0.449 434 Y N 1.269 121.725 120.300 0.260 0.000 2.404 434 Y HA 0.402 4.951 4.550 -0.002 0.000 0.344 434 Y C 0.619 176.650 175.900 0.218 0.000 0.970 434 Y CA -0.304 57.957 58.100 0.268 0.000 1.180 434 Y CB 0.422 38.999 38.460 0.194 0.000 1.138 434 Y HN 0.588 nan 8.280 nan 0.000 0.510 435 E N 2.221 122.620 120.200 0.332 0.000 2.283 435 E HA 0.159 4.508 4.350 -0.002 0.000 0.271 435 E C -0.438 176.339 176.600 0.295 0.000 1.031 435 E CA -1.098 55.465 56.400 0.272 0.000 0.868 435 E CB 1.081 30.871 29.700 0.149 0.000 1.094 435 E HN 0.360 nan 8.360 nan 0.000 0.401 436 K N 2.785 123.384 120.400 0.332 0.000 2.245 436 K HA 0.002 4.320 4.320 -0.002 0.000 0.281 436 K C 0.647 177.290 176.600 0.072 0.000 1.079 436 K CA -0.154 56.236 56.287 0.172 0.000 1.000 436 K CB 0.174 32.843 32.500 0.281 0.000 1.038 436 K HN 0.341 nan 8.250 nan 0.000 0.430 437 V N 3.855 123.789 119.914 0.033 0.000 2.307 437 V HA -0.088 4.031 4.120 -0.002 0.000 0.245 437 V C 1.235 177.332 176.094 0.004 0.000 1.045 437 V CA 2.336 64.653 62.300 0.027 0.000 1.024 437 V CB -0.086 31.754 31.823 0.028 0.000 0.651 437 V HN 0.948 nan 8.190 nan 0.000 0.449 438 G N -1.650 107.133 108.800 -0.028 0.000 3.310 438 G HA2 0.262 4.221 3.960 -0.002 0.000 0.176 438 G HA3 0.262 4.221 3.960 -0.002 0.000 0.176 438 G C -0.433 174.442 174.900 -0.043 0.000 1.307 438 G CA -0.318 44.765 45.100 -0.029 0.000 0.935 438 G HN 0.337 nan 8.290 nan 0.000 0.628 439 E N 0.336 120.503 120.200 -0.055 0.000 2.289 439 E HA 0.421 4.769 4.350 -0.002 0.000 0.278 439 E C 1.452 177.991 176.600 -0.101 0.000 1.032 439 E CA 0.051 56.416 56.400 -0.058 0.000 0.854 439 E CB 1.409 31.073 29.700 -0.060 0.000 1.046 439 E HN 0.400 nan 8.360 nan 0.000 0.409 440 A N 3.377 126.152 122.820 -0.075 0.000 1.881 440 A HA -0.312 4.006 4.320 -0.002 0.000 0.219 440 A C 2.218 179.720 177.584 -0.137 0.000 1.215 440 A CA 2.740 54.715 52.037 -0.104 0.000 0.648 440 A CB -1.455 17.583 19.000 0.063 0.000 0.832 440 A HN 0.832 nan 8.150 nan 0.000 0.455 441 T N -1.655 112.857 114.554 -0.070 0.000 2.897 441 T HA -0.171 4.177 4.350 -0.002 0.000 0.271 441 T C 1.552 176.200 174.700 -0.087 0.000 1.084 441 T CA 1.993 64.058 62.100 -0.058 0.000 1.123 441 T CB -0.378 68.457 68.868 -0.054 0.000 0.865 441 T HN 0.675 nan 8.240 nan 0.000 0.496 442 E N -0.248 119.882 120.200 -0.115 0.000 2.099 442 E HA 0.009 4.358 4.350 -0.002 0.000 0.191 442 E C 2.283 178.789 176.600 -0.157 0.000 0.962 442 E CA 0.947 57.281 56.400 -0.110 0.000 0.826 442 E CB -0.323 29.324 29.700 -0.088 0.000 0.788 442 E HN 0.392 nan 8.360 nan 0.000 0.461 443 T N 0.299 114.706 114.554 -0.245 0.000 2.977 443 T HA -0.079 4.270 4.350 -0.002 0.000 0.271 443 T C 1.614 176.054 174.700 -0.433 0.000 1.105 443 T CA 1.066 62.950 62.100 -0.359 0.000 1.116 443 T CB -0.062 68.492 68.868 -0.522 0.000 0.878 443 T HN 0.208 nan 8.240 nan 0.000 0.509 444 A N 0.302 122.919 122.820 -0.338 0.000 1.943 444 A HA 0.271 4.590 4.320 -0.002 0.000 0.213 444 A C 2.227 179.765 177.584 -0.076 0.000 1.181 444 A CA 0.445 52.390 52.037 -0.155 0.000 0.653 444 A CB -0.385 18.600 19.000 -0.024 0.000 0.833 444 A HN 0.511 nan 8.150 nan 0.000 0.451 445 L N 0.196 121.368 121.223 -0.085 0.000 1.961 445 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 445 L C 3.046 179.872 176.870 -0.073 0.000 1.072 445 L CA 2.120 56.922 54.840 -0.064 0.000 0.749 445 L CB -1.407 40.613 42.059 -0.064 0.000 0.889 445 L HN 0.609 nan 8.230 nan 0.000 0.432 446 T N -3.717 110.786 114.554 -0.085 0.000 2.714 446 T HA -0.278 4.071 4.350 -0.002 0.000 0.268 446 T C 1.722 176.378 174.700 -0.072 0.000 1.036 446 T CA 2.160 64.214 62.100 -0.076 0.000 1.148 446 T CB -0.919 67.901 68.868 -0.079 0.000 0.856 446 T HN 0.253 nan 8.240 nan 0.000 0.462 447 T N 2.070 116.580 114.554 -0.074 0.000 2.701 447 T HA 0.044 4.393 4.350 -0.002 0.000 0.263 447 T C 1.817 176.488 174.700 -0.049 0.000 1.040 447 T CA 1.107 63.177 62.100 -0.051 0.000 1.147 447 T CB -0.577 68.296 68.868 0.007 0.000 0.865 447 T HN 0.297 nan 8.240 nan 0.000 0.426 448 L N 2.795 123.994 121.223 -0.040 0.000 1.976 448 L HA -0.174 4.165 4.340 -0.002 0.000 0.223 448 L C 2.659 179.488 176.870 -0.068 0.000 1.081 448 L CA 2.457 57.270 54.840 -0.045 0.000 0.784 448 L CB -1.513 40.521 42.059 -0.042 0.000 0.896 448 L HN 0.295 nan 8.230 nan 0.000 0.438 449 V N -2.290 117.577 119.914 -0.078 0.000 2.317 449 V HA -0.298 3.820 4.120 -0.002 0.000 0.251 449 V C 2.475 178.521 176.094 -0.080 0.000 1.065 449 V CA 2.141 64.387 62.300 -0.091 0.000 1.049 449 V CB -1.110 30.663 31.823 -0.084 0.000 0.651 449 V HN 0.585 nan 8.190 nan 0.000 0.450 450 E N 0.896 121.054 120.200 -0.071 0.000 2.085 450 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 450 E C 2.266 178.822 176.600 -0.073 0.000 0.994 450 E CA 2.018 58.375 56.400 -0.072 0.000 0.801 450 E CB -0.370 29.273 29.700 -0.095 0.000 0.743 450 E HN 0.757 nan 8.360 nan 0.000 0.453 451 K N 0.165 120.522 120.400 -0.072 0.000 2.148 451 K HA -0.033 4.285 4.320 -0.002 0.000 0.204 451 K C 1.803 178.365 176.600 -0.063 0.000 1.050 451 K CA 1.194 57.443 56.287 -0.063 0.000 0.942 451 K CB -0.125 32.345 32.500 -0.050 0.000 0.724 451 K HN 0.234 nan 8.250 nan 0.000 0.446 452 M N 1.213 120.764 119.600 -0.081 0.000 2.866 452 M HA 0.204 4.682 4.480 -0.002 0.000 0.319 452 M C -0.902 175.328 176.300 -0.117 0.000 1.244 452 M CA -0.735 54.506 55.300 -0.098 0.000 0.974 452 M CB -0.404 32.117 32.600 -0.132 0.000 1.291 452 M HN -0.162 nan 8.290 nan 0.000 0.513 453 N N 1.131 119.778 118.700 -0.088 0.000 2.106 453 N HA -0.092 4.647 4.740 -0.002 0.000 0.284 453 N C 0.959 176.378 175.510 -0.151 0.000 1.388 453 N CA 0.600 53.600 53.050 -0.085 0.000 0.944 453 N CB -0.447 38.027 38.487 -0.021 0.000 1.333 453 N HN 0.514 nan 8.380 nan 0.000 0.489 454 V N -2.014 117.716 119.914 -0.308 0.000 2.688 454 V HA -0.167 3.952 4.120 -0.002 0.000 0.256 454 V C 0.908 176.679 176.094 -0.539 0.000 1.084 454 V CA 1.164 63.173 62.300 -0.486 0.000 1.103 454 V CB -1.027 30.355 31.823 -0.735 0.000 0.688 454 V HN 0.449 nan 8.190 nan 0.000 0.480 455 F N 1.239 121.162 119.950 -0.044 0.000 2.645 455 F HA 0.449 4.975 4.527 -0.002 0.000 0.300 455 F C 1.076 176.857 175.800 -0.032 0.000 1.115 455 F CA -1.191 56.786 58.000 -0.038 0.000 1.355 455 F CB -1.181 37.797 39.000 -0.037 0.000 1.026 455 F HN 0.180 nan 8.300 nan 0.000 0.536 456 N N 0.880 119.621 118.700 0.070 0.000 2.702 456 N HA -0.195 4.543 4.740 -0.002 0.000 0.255 456 N C -0.102 175.446 175.510 0.064 0.000 0.983 456 N CA 1.330 54.407 53.050 0.044 0.000 0.768 456 N CB -1.661 36.843 38.487 0.028 0.000 0.918 456 N HN 0.383 nan 8.380 nan 0.000 0.540 457 T N -2.025 112.580 114.554 0.086 0.000 2.728 457 T HA 0.378 4.727 4.350 -0.002 0.000 0.296 457 T C 0.275 174.995 174.700 0.033 0.000 0.940 457 T CA -0.887 61.252 62.100 0.066 0.000 1.013 457 T CB 1.236 70.157 68.868 0.088 0.000 0.912 457 T HN -0.016 nan 8.240 nan 0.000 0.484 458 E N 2.012 122.224 120.200 0.020 0.000 2.905 458 E HA 0.143 4.492 4.350 -0.002 0.000 0.240 458 E C 1.080 177.685 176.600 0.008 0.000 0.990 458 E CA 0.259 56.665 56.400 0.010 0.000 0.954 458 E CB -0.003 29.701 29.700 0.007 0.000 0.908 458 E HN 0.677 nan 8.360 nan 0.000 0.532 459 V N 0.896 120.812 119.914 0.003 0.000 3.398 459 V HA 0.145 4.263 4.120 -0.002 0.000 0.298 459 V C 1.329 177.420 176.094 -0.005 0.000 1.496 459 V CA 0.111 62.410 62.300 -0.002 0.000 1.044 459 V CB -0.015 31.803 31.823 -0.009 0.000 0.880 459 V HN 0.612 nan 8.190 nan 0.000 0.443 460 R N 0.254 120.752 120.500 -0.003 0.000 2.280 460 R HA 0.269 4.608 4.340 -0.002 0.000 0.195 460 R C 0.829 177.129 176.300 -0.000 0.000 0.935 460 R CA 0.654 56.751 56.100 -0.004 0.000 1.033 460 R CB -0.413 29.884 30.300 -0.004 0.000 0.964 460 R HN 0.442 nan 8.270 nan 0.000 0.489 461 N N 1.269 119.971 118.700 0.002 0.000 2.314 461 N HA 0.156 4.895 4.740 -0.002 0.000 0.200 461 N C -0.362 175.153 175.510 0.007 0.000 1.135 461 N CA 0.251 53.304 53.050 0.005 0.000 0.835 461 N CB 0.562 39.052 38.487 0.004 0.000 0.989 461 N HN 0.241 nan 8.380 nan 0.000 0.478 462 L N 0.141 121.368 121.223 0.007 0.000 2.346 462 L HA 0.443 4.781 4.340 -0.002 0.000 0.274 462 L C 1.048 177.926 176.870 0.014 0.000 1.007 462 L CA -0.954 53.894 54.840 0.012 0.000 0.818 462 L CB 1.627 43.693 42.059 0.012 0.000 1.284 462 L HN -0.100 nan 8.230 nan 0.000 0.424 463 S N 1.251 116.967 115.700 0.026 0.000 2.680 463 S HA 0.078 4.547 4.470 -0.002 0.000 0.249 463 S C 0.697 175.311 174.600 0.022 0.000 1.358 463 S CA -0.069 58.151 58.200 0.033 0.000 0.963 463 S CB 0.545 63.781 63.200 0.060 0.000 0.984 463 S HN 0.725 nan 8.310 nan 0.000 0.584 464 K N -0.678 119.725 120.400 0.004 0.000 2.356 464 K HA 0.201 4.520 4.320 -0.002 0.000 0.195 464 K C 1.597 178.241 176.600 0.073 0.000 1.037 464 K CA 0.342 56.567 56.287 -0.104 0.000 1.014 464 K CB -0.103 32.082 32.500 -0.525 0.000 0.815 464 K HN 0.387 nan 8.250 nan 0.000 0.507 465 V N 1.275 121.341 119.914 0.254 0.000 3.041 465 V HA -0.123 3.996 4.120 -0.002 0.000 0.260 465 V C 1.991 178.208 176.094 0.204 0.000 1.105 465 V CA 1.484 63.994 62.300 0.350 0.000 1.125 465 V CB -0.121 31.859 31.823 0.262 0.000 0.730 465 V HN 0.350 nan 8.190 nan 0.000 0.479 466 E N 0.430 120.709 120.200 0.132 0.000 2.251 466 E HA -0.102 4.246 4.350 -0.002 0.000 0.194 466 E C 2.245 178.878 176.600 0.055 0.000 0.964 466 E CA 0.034 56.483 56.400 0.081 0.000 0.868 466 E CB 0.118 29.852 29.700 0.056 0.000 0.828 466 E HN 0.348 nan 8.360 nan 0.000 0.481 467 R N 1.090 121.617 120.500 0.045 0.000 2.127 467 R HA -0.068 4.271 4.340 -0.002 0.000 0.238 467 R C 2.041 178.312 176.300 -0.047 0.000 1.134 467 R CA 1.597 57.690 56.100 -0.011 0.000 0.975 467 R CB -0.725 29.555 30.300 -0.033 0.000 0.865 467 R HN 0.245 nan 8.270 nan 0.000 0.447 468 A N 0.561 123.394 122.820 0.021 0.000 1.940 468 A HA -0.290 4.029 4.320 -0.002 0.000 0.221 468 A C 1.166 178.738 177.584 -0.021 0.000 1.190 468 A CA 2.241 54.282 52.037 0.008 0.000 0.647 468 A CB -0.654 18.455 19.000 0.182 0.000 0.821 468 A HN 0.777 nan 8.150 nan 0.000 0.457 469 N N -3.177 115.526 118.700 0.005 0.000 2.217 469 N HA 0.473 5.211 4.740 -0.002 0.000 0.239 469 N C 0.750 176.262 175.510 0.002 0.000 1.330 469 N CA 0.633 53.682 53.050 -0.001 0.000 0.838 469 N CB -0.070 38.427 38.487 0.016 0.000 1.287 469 N HN 0.233 nan 8.380 nan 0.000 0.498 470 A N 0.152 122.972 122.820 0.000 0.000 1.917 470 A HA -0.184 4.134 4.320 -0.002 0.000 0.219 470 A C 1.993 179.586 177.584 0.016 0.000 1.182 470 A CA 1.651 53.692 52.037 0.007 0.000 0.633 470 A CB -1.022 17.980 19.000 0.003 0.000 0.819 470 A HN 0.549 nan 8.150 nan 0.000 0.448 471 C N -0.845 118.463 119.300 0.013 0.000 2.468 471 C HA 0.026 4.485 4.460 -0.002 0.000 0.277 471 C C 2.623 177.641 174.990 0.047 0.000 1.400 471 C CA 0.539 59.581 59.018 0.040 0.000 1.770 471 C CB -1.408 26.338 27.740 0.010 0.000 1.905 471 C HN 0.621 nan 8.230 nan 0.000 0.519 472 N N 1.418 120.127 118.700 0.015 0.000 2.124 472 N HA -0.102 4.636 4.740 -0.002 0.000 0.189 472 N C 2.043 177.566 175.510 0.021 0.000 1.050 472 N CA 1.919 54.975 53.050 0.010 0.000 0.848 472 N CB -0.559 37.923 38.487 -0.008 0.000 1.027 472 N HN 0.545 nan 8.380 nan 0.000 0.435 473 S N 1.326 117.034 115.700 0.013 0.000 2.413 473 S HA -0.190 4.278 4.470 -0.002 0.000 0.237 473 S C 2.295 176.896 174.600 0.002 0.000 1.044 473 S CA 2.034 60.239 58.200 0.009 0.000 1.024 473 S CB -1.324 61.881 63.200 0.008 0.000 0.829 473 S HN 0.299 nan 8.310 nan 0.000 0.475 474 V N 0.276 120.196 119.914 0.010 0.000 2.358 474 V HA 0.033 4.152 4.120 -0.002 0.000 0.246 474 V C 2.242 178.322 176.094 -0.025 0.000 1.047 474 V CA 1.520 63.804 62.300 -0.027 0.000 1.035 474 V CB -1.000 30.815 31.823 -0.013 0.000 0.658 474 V HN 0.562 nan 8.190 nan 0.000 0.452 475 I N 0.075 120.689 120.570 0.074 0.000 2.676 475 I HA -0.066 4.103 4.170 -0.002 0.000 0.259 475 I C 2.908 179.045 176.117 0.034 0.000 1.194 475 I CA 1.103 62.466 61.300 0.104 0.000 1.473 475 I CB -0.359 37.708 38.000 0.112 0.000 1.096 475 I HN 0.265 nan 8.210 nan 0.000 0.443 476 R N 0.729 121.240 120.500 0.018 0.000 2.153 476 R HA -0.074 4.264 4.340 -0.002 0.000 0.218 476 R C 1.630 177.933 176.300 0.004 0.000 1.072 476 R CA 0.760 56.870 56.100 0.016 0.000 0.990 476 R CB -0.140 30.168 30.300 0.013 0.000 0.889 476 R HN 0.486 nan 8.270 nan 0.000 0.452 477 Q N 0.575 120.364 119.800 -0.018 0.000 2.415 477 Q HA 0.084 4.423 4.340 -0.002 0.000 0.206 477 Q C 0.668 176.642 176.000 -0.043 0.000 0.946 477 Q CA 0.382 56.166 55.803 -0.033 0.000 0.951 477 Q CB 0.381 29.087 28.738 -0.053 0.000 1.026 477 Q HN 0.336 nan 8.270 nan 0.000 0.510 478 L N 0.132 121.339 121.223 -0.027 0.000 3.017 478 L HA 0.384 4.723 4.340 -0.002 0.000 0.255 478 L C -0.485 176.401 176.870 0.026 0.000 1.247 478 L CA -0.119 54.710 54.840 -0.019 0.000 1.038 478 L CB 0.205 42.255 42.059 -0.015 0.000 1.380 478 L HN 0.170 nan 8.230 nan 0.000 0.548 479 M N 0.164 119.779 119.600 0.024 0.000 2.958 479 M HA 0.182 4.661 4.480 -0.002 0.000 0.265 479 M C -1.633 174.674 176.300 0.012 0.000 0.976 479 M CA -0.813 54.506 55.300 0.033 0.000 0.792 479 M CB 1.988 34.654 32.600 0.110 0.000 1.668 479 M HN -0.183 nan 8.290 nan 0.000 0.559 480 K N 1.839 122.231 120.400 -0.013 0.000 2.347 480 K HA 0.333 4.652 4.320 -0.002 0.000 0.262 480 K C -0.431 176.150 176.600 -0.033 0.000 1.052 480 K CA -0.157 56.123 56.287 -0.012 0.000 0.946 480 K CB 0.762 33.255 32.500 -0.012 0.000 1.220 480 K HN 0.525 nan 8.250 nan 0.000 0.450 481 K N 4.797 125.189 120.400 -0.013 0.000 2.095 481 K HA -0.020 4.298 4.320 -0.002 0.000 0.258 481 K C 0.182 176.771 176.600 -0.017 0.000 1.120 481 K CA 0.021 56.289 56.287 -0.032 0.000 1.026 481 K CB 0.375 32.880 32.500 0.008 0.000 1.256 481 K HN 0.575 nan 8.250 nan 0.000 0.360 482 E N 2.523 122.694 120.200 -0.048 0.000 2.021 482 E HA -0.169 4.179 4.350 -0.002 0.000 0.200 482 E C 0.544 177.222 176.600 0.130 0.000 1.015 482 E CA 1.546 57.970 56.400 0.041 0.000 0.824 482 E CB -0.261 29.495 29.700 0.093 0.000 0.762 482 E HN 0.592 nan 8.360 nan 0.000 0.454 483 F N -2.961 117.050 119.950 0.101 0.000 2.779 483 F HA 0.587 5.113 4.527 -0.002 0.000 0.316 483 F C -0.710 175.119 175.800 0.050 0.000 1.164 483 F CA -1.224 56.808 58.000 0.053 0.000 0.924 483 F CB 1.638 40.646 39.000 0.014 0.000 1.348 483 F HN -0.280 nan 8.300 nan 0.000 0.467 484 T N 1.790 116.560 114.554 0.360 0.000 2.881 484 T HA 0.588 4.936 4.350 -0.002 0.000 0.290 484 T C -1.307 173.448 174.700 0.092 0.000 1.000 484 T CA -0.688 61.517 62.100 0.175 0.000 0.978 484 T CB 0.886 69.806 68.868 0.086 0.000 0.997 484 T HN 0.777 nan 8.240 nan 0.000 0.443 485 L N 6.074 127.256 121.223 -0.069 0.000 2.328 485 L HA 0.349 4.688 4.340 -0.002 0.000 0.280 485 L C 1.358 178.001 176.870 -0.379 0.000 1.111 485 L CA -0.925 53.577 54.840 -0.564 0.000 0.909 485 L CB -0.038 41.640 42.059 -0.636 0.000 1.277 485 L HN 0.732 nan 8.230 nan 0.000 0.433 486 E N 2.494 122.556 120.200 -0.231 0.000 2.521 486 E HA -0.173 4.175 4.350 -0.002 0.000 0.270 486 E C -0.506 176.120 176.600 0.043 0.000 1.082 486 E CA -0.176 56.218 56.400 -0.010 0.000 0.997 486 E CB 0.718 30.468 29.700 0.083 0.000 0.990 486 E HN 0.305 nan 8.360 nan 0.000 0.458 487 F N 1.694 121.649 119.950 0.009 0.000 2.518 487 F HA 0.123 4.649 4.527 -0.002 0.000 0.359 487 F C 0.126 175.972 175.800 0.076 0.000 1.118 487 F CA 0.556 58.579 58.000 0.038 0.000 1.287 487 F CB 0.639 39.661 39.000 0.037 0.000 1.132 487 F HN 0.500 nan 8.300 nan 0.000 0.587 488 S N 5.399 120.683 115.700 -0.693 0.000 2.571 488 S HA 0.443 4.911 4.470 -0.002 0.000 0.284 488 S C 0.023 174.230 174.600 -0.655 0.000 1.128 488 S CA -1.117 56.854 58.200 -0.381 0.000 0.970 488 S CB 1.855 64.994 63.200 -0.100 0.000 1.039 488 S HN 0.777 nan 8.310 nan 0.000 0.485 489 R N 1.286 121.631 120.500 -0.259 0.000 2.395 489 R HA -0.023 4.316 4.340 -0.002 0.000 0.203 489 R C 0.555 176.805 176.300 -0.085 0.000 1.076 489 R CA 1.286 57.322 56.100 -0.106 0.000 1.059 489 R CB -0.399 29.944 30.300 0.071 0.000 0.860 489 R HN 0.835 nan 8.270 nan 0.000 0.476 490 D N -0.288 120.035 120.400 -0.129 0.000 2.482 490 D HA -0.089 4.550 4.640 -0.002 0.000 0.251 490 D C 1.478 177.738 176.300 -0.068 0.000 1.073 490 D CA 0.114 54.079 54.000 -0.059 0.000 0.892 490 D CB -0.160 40.623 40.800 -0.028 0.000 1.202 490 D HN 0.271 nan 8.370 nan 0.000 0.496 491 R N 0.988 121.414 120.500 -0.123 0.000 2.334 491 R HA 0.148 4.486 4.340 -0.002 0.000 0.216 491 R C 0.173 176.408 176.300 -0.109 0.000 0.905 491 R CA -0.327 55.725 56.100 -0.080 0.000 1.064 491 R CB -0.150 30.123 30.300 -0.045 0.000 1.046 491 R HN -0.249 nan 8.270 nan 0.000 0.508 492 K N 1.768 122.018 120.400 -0.249 0.000 3.177 492 K HA -0.208 4.110 4.320 -0.002 0.000 0.266 492 K C -0.603 176.063 176.600 0.111 0.000 0.937 492 K CA 1.403 57.608 56.287 -0.137 0.000 0.702 492 K CB -1.635 30.941 32.500 0.127 0.000 1.365 492 K HN 0.735 nan 8.250 nan 0.000 0.466 493 S N -1.888 113.734 115.700 -0.131 0.000 2.636 493 S HA 0.747 5.215 4.470 -0.002 0.000 0.266 493 S C -0.543 174.141 174.600 0.139 0.000 1.147 493 S CA -0.752 57.567 58.200 0.198 0.000 0.815 493 S CB 2.376 65.651 63.200 0.126 0.000 1.119 493 S HN 0.375 nan 8.310 nan 0.000 0.470 494 M N -0.066 119.652 119.600 0.198 0.000 2.856 494 M HA 0.938 5.417 4.480 -0.002 0.000 0.277 494 M C -1.158 175.191 176.300 0.082 0.000 1.288 494 M CA -0.737 54.636 55.300 0.121 0.000 0.788 494 M CB 1.829 34.538 32.600 0.183 0.000 1.709 494 M HN 1.336 nan 8.290 nan 0.000 0.449 495 S N -0.223 115.502 115.700 0.041 0.000 2.565 495 S HA 0.701 5.169 4.470 -0.002 0.000 0.274 495 S C -1.124 173.488 174.600 0.020 0.000 1.144 495 S CA -0.650 57.579 58.200 0.048 0.000 0.849 495 S CB 1.352 64.588 63.200 0.060 0.000 1.103 495 S HN 1.481 nan 8.310 nan 0.000 0.455 496 V N -0.193 119.722 119.914 0.001 0.000 2.448 496 V HA 0.707 4.826 4.120 -0.002 0.000 0.295 496 V C -0.999 174.941 176.094 -0.256 0.000 1.025 496 V CA -0.829 61.432 62.300 -0.066 0.000 0.859 496 V CB 0.920 32.752 31.823 0.015 0.000 0.988 496 V HN 0.973 nan 8.190 nan 0.000 0.431 497 Y N 4.296 124.270 120.300 -0.543 0.000 2.350 497 Y HA 0.675 5.223 4.550 -0.002 0.000 0.340 497 Y C 0.133 175.666 175.900 -0.611 0.000 1.006 497 Y CA -0.264 57.379 58.100 -0.760 0.000 1.166 497 Y CB 0.784 38.318 38.460 -1.545 0.000 1.168 497 Y HN 0.978 nan 8.280 nan 0.000 0.502 498 C N 3.097 121.862 119.300 -0.891 0.000 2.848 498 C HA 0.805 5.263 4.460 -0.002 0.000 0.317 498 C C -0.198 174.506 174.990 -0.477 0.000 1.260 498 C CA -0.988 57.712 59.018 -0.530 0.000 1.656 498 C CB 1.386 28.904 27.740 -0.370 0.000 2.174 498 C HN 0.805 nan 8.230 nan 0.000 0.479 499 S N 1.491 117.057 115.700 -0.223 0.000 2.599 499 S HA 0.849 5.318 4.470 -0.002 0.000 0.287 499 S C -3.074 171.482 174.600 -0.073 0.000 1.105 499 S CA -0.943 57.173 58.200 -0.140 0.000 0.899 499 S CB 2.110 65.274 63.200 -0.059 0.000 1.100 499 S HN 0.686 nan 8.310 nan 0.000 0.482 500 P HA 0.509 nan 4.420 nan 0.000 0.285 500 P C -1.462 175.828 177.300 -0.018 0.000 1.285 500 P CA -0.721 62.365 63.100 -0.023 0.000 0.854 500 P CB 1.289 32.979 31.700 -0.017 0.000 1.180 501 A N 1.255 124.067 122.820 -0.015 0.000 2.331 501 A HA 0.231 4.549 4.320 -0.002 0.000 0.283 501 A C 1.524 179.100 177.584 -0.013 0.000 1.142 501 A CA -0.218 51.811 52.037 -0.014 0.000 0.812 501 A CB -0.044 18.945 19.000 -0.017 0.000 1.074 501 A HN 0.540 nan 8.150 nan 0.000 0.497 502 K N 1.546 121.941 120.400 -0.009 0.000 2.285 502 K HA -0.325 3.994 4.320 -0.002 0.000 0.214 502 K C 1.924 178.518 176.600 -0.009 0.000 1.015 502 K CA 3.149 59.431 56.287 -0.008 0.000 0.930 502 K CB -0.338 32.158 32.500 -0.006 0.000 0.887 502 K HN 0.932 nan 8.250 nan 0.000 0.486 503 S N -2.412 113.280 115.700 -0.012 0.000 2.591 503 S HA 0.034 4.503 4.470 -0.002 0.000 0.235 503 S C 1.967 176.558 174.600 -0.014 0.000 1.074 503 S CA 0.478 58.670 58.200 -0.013 0.000 0.925 503 S CB -0.338 62.854 63.200 -0.013 0.000 0.818 503 S HN 0.378 nan 8.310 nan 0.000 0.535 504 S N 3.352 119.040 115.700 -0.020 0.000 2.344 504 S HA -0.020 4.449 4.470 -0.002 0.000 0.217 504 S C 1.698 176.289 174.600 -0.015 0.000 1.033 504 S CA 0.676 58.863 58.200 -0.022 0.000 1.017 504 S CB -0.699 62.480 63.200 -0.036 0.000 0.941 504 S HN 0.584 nan 8.310 nan 0.000 0.430 505 R N 1.510 122.002 120.500 -0.013 0.000 2.449 505 R HA 0.496 4.835 4.340 -0.002 0.000 0.262 505 R C 1.966 178.263 176.300 -0.006 0.000 1.006 505 R CA 0.372 56.470 56.100 -0.004 0.000 1.104 505 R CB -0.389 29.913 30.300 0.002 0.000 1.206 505 R HN 0.518 nan 8.270 nan 0.000 0.538 506 A N 1.951 124.766 122.820 -0.008 0.000 1.958 506 A HA -0.272 4.047 4.320 -0.002 0.000 0.221 506 A C 2.399 179.979 177.584 -0.007 0.000 1.178 506 A CA 1.847 53.879 52.037 -0.008 0.000 0.642 506 A CB -0.574 18.421 19.000 -0.007 0.000 0.816 506 A HN 0.450 nan 8.150 nan 0.000 0.453 507 A N -1.342 121.475 122.820 -0.004 0.000 1.861 507 A HA -0.196 4.122 4.320 -0.002 0.000 0.248 507 A C 1.099 178.679 177.584 -0.006 0.000 2.075 507 A CA 2.315 54.351 52.037 -0.003 0.000 0.818 507 A CB -1.243 17.759 19.000 0.002 0.000 0.844 507 A HN 0.931 nan 8.150 nan 0.000 0.498 508 V N -1.172 118.737 119.914 -0.009 0.000 2.357 508 V HA 0.537 4.655 4.120 -0.002 0.000 0.281 508 V C 1.347 177.421 176.094 -0.033 0.000 1.015 508 V CA -0.543 61.747 62.300 -0.016 0.000 0.827 508 V CB 0.201 32.016 31.823 -0.014 0.000 1.018 508 V HN 1.016 nan 8.190 nan 0.000 0.432 509 G N 5.642 114.425 108.800 -0.029 0.000 3.854 509 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.734 509 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.734 509 G C 0.389 175.234 174.900 -0.092 0.000 0.872 509 G CA 0.601 45.677 45.100 -0.040 0.000 0.725 509 G HN 0.661 nan 8.290 nan 0.000 1.397 510 N N 0.973 119.598 118.700 -0.126 0.000 2.530 510 N HA 0.485 5.223 4.740 -0.002 0.000 0.277 510 N C 0.027 175.294 175.510 -0.406 0.000 1.168 510 N CA 0.165 53.026 53.050 -0.315 0.000 0.979 510 N CB 1.536 39.814 38.487 -0.347 0.000 1.141 510 N HN 0.469 nan 8.380 nan 0.000 0.459 511 K N 0.465 120.492 120.400 -0.622 0.000 2.495 511 K HA 0.487 4.806 4.320 -0.002 0.000 0.268 511 K C -0.938 175.110 176.600 -0.919 0.000 1.008 511 K CA -0.681 55.260 56.287 -0.576 0.000 0.882 511 K CB 2.568 34.867 32.500 -0.335 0.000 1.443 511 K HN 0.365 nan 8.250 nan 0.000 0.447 512 M N 2.240 121.429 119.600 -0.684 0.000 2.259 512 M HA 0.425 4.903 4.480 -0.002 0.000 0.304 512 M C -1.769 174.282 176.300 -0.414 0.000 1.019 512 M CA -0.723 54.219 55.300 -0.596 0.000 0.922 512 M CB 0.881 33.348 32.600 -0.222 0.000 1.600 512 M HN 0.395 nan 8.290 nan 0.000 0.433 513 F N 4.734 124.631 119.950 -0.089 0.000 2.361 513 F HA 0.567 5.093 4.527 -0.002 0.000 0.364 513 F C -0.124 175.656 175.800 -0.033 0.000 1.117 513 F CA -1.020 56.942 58.000 -0.063 0.000 1.071 513 F CB 0.908 39.863 39.000 -0.075 0.000 1.188 513 F HN 0.240 nan 8.300 nan 0.000 0.464 514 V N 4.802 124.813 119.914 0.161 0.000 2.732 514 V HA 0.820 4.938 4.120 -0.002 0.000 0.310 514 V C -0.998 175.141 176.094 0.075 0.000 1.053 514 V CA -0.691 61.673 62.300 0.106 0.000 0.957 514 V CB 1.964 33.844 31.823 0.094 0.000 1.018 514 V HN 0.844 nan 8.190 nan 0.000 0.452 515 K N 4.361 124.812 120.400 0.084 0.000 2.553 515 K HA 0.875 5.193 4.320 -0.002 0.000 0.250 515 K C -0.613 176.061 176.600 0.123 0.000 0.953 515 K CA -0.199 56.130 56.287 0.072 0.000 0.800 515 K CB 1.839 34.364 32.500 0.042 0.000 1.243 515 K HN 1.133 nan 8.250 nan 0.000 0.435 516 G N 1.060 109.934 108.800 0.124 0.000 2.570 516 G HA2 0.574 4.532 3.960 -0.002 0.000 0.310 516 G HA3 0.574 4.532 3.960 -0.002 0.000 0.310 516 G C -1.447 173.542 174.900 0.149 0.000 1.266 516 G CA -0.592 44.618 45.100 0.184 0.000 0.825 516 G HN 0.746 nan 8.290 nan 0.000 0.483 517 A N 0.594 123.516 122.820 0.171 0.000 2.524 517 A HA 0.560 4.878 4.320 -0.002 0.000 0.250 517 A C -0.883 176.767 177.584 0.111 0.000 1.078 517 A CA -0.257 51.859 52.037 0.133 0.000 0.761 517 A CB 0.155 19.237 19.000 0.136 0.000 1.012 517 A HN 0.291 nan 8.150 nan 0.000 0.500 518 P HA -0.233 nan 4.420 nan 0.000 0.218 518 P C 0.949 178.294 177.300 0.075 0.000 1.154 518 P CA 1.840 65.001 63.100 0.102 0.000 0.872 518 P CB 0.216 31.968 31.700 0.087 0.000 0.790 519 E N -0.542 119.694 120.200 0.059 0.000 2.013 519 E HA -0.171 4.177 4.350 -0.002 0.000 0.202 519 E C 2.214 178.841 176.600 0.044 0.000 1.018 519 E CA 1.837 58.262 56.400 0.041 0.000 0.834 519 E CB -1.626 28.098 29.700 0.041 0.000 0.770 519 E HN 0.205 nan 8.360 nan 0.000 0.459 520 G N 0.867 109.700 108.800 0.055 0.000 2.771 520 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.214 520 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.214 520 G C 1.796 176.732 174.900 0.060 0.000 1.331 520 G CA 2.215 47.346 45.100 0.051 0.000 0.812 520 G HN 0.360 nan 8.290 nan 0.000 0.628 521 V N 0.032 119.995 119.914 0.081 0.000 2.357 521 V HA -0.313 3.806 4.120 -0.002 0.000 0.257 521 V C 2.645 178.806 176.094 0.111 0.000 1.082 521 V CA 2.461 64.820 62.300 0.097 0.000 1.078 521 V CB -0.659 31.233 31.823 0.114 0.000 0.663 521 V HN 0.447 nan 8.190 nan 0.000 0.455 522 I N 0.434 121.068 120.570 0.108 0.000 2.252 522 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 522 I C 2.639 178.775 176.117 0.032 0.000 1.102 522 I CA 2.045 63.395 61.300 0.085 0.000 1.385 522 I CB -0.559 37.452 38.000 0.018 0.000 1.064 522 I HN 0.391 nan 8.210 nan 0.000 0.414 523 D N 0.928 121.340 120.400 0.019 0.000 2.092 523 D HA -0.187 4.451 4.640 -0.002 0.000 0.193 523 D C 2.131 178.428 176.300 -0.005 0.000 0.994 523 D CA 1.231 55.230 54.000 -0.002 0.000 0.828 523 D CB -0.397 40.403 40.800 0.000 0.000 0.963 523 D HN 0.343 nan 8.370 nan 0.000 0.450 524 R N -0.023 120.484 120.500 0.013 0.000 2.276 524 R HA -0.079 4.260 4.340 -0.002 0.000 0.243 524 R C 0.762 177.058 176.300 -0.007 0.000 1.161 524 R CA 0.177 56.282 56.100 0.009 0.000 1.007 524 R CB -0.483 29.838 30.300 0.035 0.000 0.867 524 R HN 0.154 nan 8.270 nan 0.000 0.472 525 C N 1.782 121.088 119.300 0.010 0.000 2.499 525 C HA 0.159 4.618 4.460 -0.002 0.000 0.386 525 C C 1.247 176.176 174.990 -0.100 0.000 1.293 525 C CA -0.699 58.320 59.018 0.003 0.000 1.884 525 C CB 0.241 28.048 27.740 0.111 0.000 2.509 525 C HN 0.472 nan 8.230 nan 0.000 0.566 526 N N 1.275 119.804 118.700 -0.284 0.000 2.197 526 N HA 0.136 4.875 4.740 -0.002 0.000 0.201 526 N C -0.735 174.444 175.510 -0.552 0.000 1.148 526 N CA 0.411 53.167 53.050 -0.489 0.000 0.883 526 N CB 0.644 38.693 38.487 -0.730 0.000 1.012 526 N HN 0.654 nan 8.380 nan 0.000 0.507 527 Y N -0.306 120.036 120.300 0.070 0.000 2.669 527 Y HA 0.551 5.099 4.550 -0.002 0.000 0.335 527 Y C -0.087 175.879 175.900 0.110 0.000 1.116 527 Y CA -1.729 56.415 58.100 0.073 0.000 1.081 527 Y CB 1.222 39.719 38.460 0.062 0.000 1.297 527 Y HN -0.256 nan 8.280 nan 0.000 0.484 528 V N -0.869 119.222 119.914 0.294 0.000 2.567 528 V HA 0.597 4.715 4.120 -0.002 0.000 0.298 528 V C -0.759 175.447 176.094 0.187 0.000 1.047 528 V CA -1.200 61.254 62.300 0.256 0.000 0.880 528 V CB 1.533 33.498 31.823 0.236 0.000 1.009 528 V HN 0.810 nan 8.190 nan 0.000 0.429 529 R N 3.089 123.677 120.500 0.148 0.000 2.370 529 R HA 0.553 4.891 4.340 -0.002 0.000 0.309 529 R C -0.809 175.546 176.300 0.092 0.000 1.059 529 R CA -0.131 56.022 56.100 0.088 0.000 0.981 529 R CB 1.207 31.529 30.300 0.037 0.000 0.972 529 R HN 0.772 nan 8.270 nan 0.000 0.437 530 V N 6.515 126.480 119.914 0.085 0.000 2.239 530 V HA 0.306 4.424 4.120 -0.002 0.000 0.267 530 V C 1.125 177.266 176.094 0.079 0.000 1.056 530 V CA 0.470 62.825 62.300 0.093 0.000 0.830 530 V CB 0.149 32.027 31.823 0.091 0.000 1.090 530 V HN 1.202 nan 8.190 nan 0.000 0.459 531 G N 4.888 113.735 108.800 0.078 0.000 2.687 531 G HA2 -0.387 3.572 3.960 -0.002 0.000 0.303 531 G HA3 -0.387 3.572 3.960 -0.002 0.000 0.303 531 G C 1.109 176.034 174.900 0.042 0.000 1.209 531 G CA 1.099 46.243 45.100 0.073 0.000 0.968 531 G HN 1.113 nan 8.290 nan 0.000 0.549 532 T N -0.838 113.738 114.554 0.037 0.000 3.060 532 T HA 0.459 4.807 4.350 -0.002 0.000 0.249 532 T C 1.215 175.927 174.700 0.020 0.000 1.079 532 T CA 1.775 63.889 62.100 0.023 0.000 1.013 532 T CB -0.128 68.751 68.868 0.018 0.000 0.975 532 T HN 1.776 nan 8.240 nan 0.000 0.518 533 T N -0.635 113.935 114.554 0.027 0.000 2.937 533 T HA 0.681 5.029 4.350 -0.002 0.000 0.283 533 T C -0.385 174.330 174.700 0.025 0.000 1.012 533 T CA -1.083 61.029 62.100 0.019 0.000 0.997 533 T CB 2.420 71.300 68.868 0.020 0.000 1.136 533 T HN 0.318 nan 8.240 nan 0.000 0.551 534 R N -0.305 120.196 120.500 0.003 0.000 2.902 534 R HA 0.851 5.189 4.340 -0.002 0.000 0.258 534 R C -1.686 174.621 176.300 0.010 0.000 1.071 534 R CA -0.822 55.281 56.100 0.005 0.000 1.024 534 R CB 1.798 32.050 30.300 -0.079 0.000 1.184 534 R HN 0.599 nan 8.270 nan 0.000 0.492 535 V N 1.721 121.670 119.914 0.058 0.000 3.225 535 V HA 0.342 4.461 4.120 -0.002 0.000 0.293 535 V C -2.591 173.610 176.094 0.179 0.000 1.405 535 V CA -1.390 60.958 62.300 0.080 0.000 1.038 535 V CB 2.664 34.536 31.823 0.082 0.000 1.123 535 V HN 0.810 nan 8.190 nan 0.000 0.447 536 P HA 0.176 nan 4.420 nan 0.000 0.274 536 P C -0.314 177.074 177.300 0.146 0.000 1.291 536 P CA -0.252 62.988 63.100 0.233 0.000 0.815 536 P CB 0.620 32.415 31.700 0.158 0.000 0.897 537 M N 4.878 124.565 119.600 0.146 0.000 2.394 537 M HA -0.008 4.471 4.480 -0.002 0.000 0.394 537 M C -0.236 176.085 176.300 0.035 0.000 1.611 537 M CA 1.126 56.467 55.300 0.069 0.000 0.941 537 M CB -0.587 32.029 32.600 0.026 0.000 2.094 537 M HN 0.430 nan 8.290 nan 0.000 0.485 538 T N 2.204 116.773 114.554 0.025 0.000 2.919 538 T HA 0.755 5.103 4.350 -0.002 0.000 0.282 538 T C 1.139 175.835 174.700 -0.006 0.000 1.020 538 T CA -0.584 61.523 62.100 0.012 0.000 0.994 538 T CB 0.958 69.835 68.868 0.016 0.000 1.180 538 T HN 0.688 nan 8.240 nan 0.000 0.566 539 G N 1.381 110.177 108.800 -0.007 0.000 2.545 539 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.217 539 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.217 539 G C -0.312 174.579 174.900 -0.015 0.000 1.218 539 G CA 1.069 46.161 45.100 -0.013 0.000 0.787 539 G HN 0.714 nan 8.290 nan 0.000 0.571 540 P HA -0.083 nan 4.420 nan 0.000 0.214 540 P C 2.106 179.400 177.300 -0.009 0.000 1.163 540 P CA 1.760 64.860 63.100 0.000 0.000 0.883 540 P CB -0.426 31.288 31.700 0.022 0.000 0.788 541 V N 0.881 120.794 119.914 -0.002 0.000 2.370 541 V HA -0.272 3.846 4.120 -0.002 0.000 0.252 541 V C 2.868 178.925 176.094 -0.061 0.000 1.068 541 V CA 2.402 64.696 62.300 -0.010 0.000 1.061 541 V CB -1.450 30.377 31.823 0.007 0.000 0.656 541 V HN 0.167 nan 8.190 nan 0.000 0.455 542 K N -0.283 120.076 120.400 -0.070 0.000 1.980 542 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 542 K C 2.295 178.834 176.600 -0.101 0.000 1.043 542 K CA 1.317 57.540 56.287 -0.107 0.000 0.938 542 K CB -0.175 32.277 32.500 -0.081 0.000 0.724 542 K HN 0.380 nan 8.250 nan 0.000 0.438 543 E N 1.224 121.382 120.200 -0.070 0.000 2.055 543 E HA -0.291 4.058 4.350 -0.002 0.000 0.209 543 E C 1.876 178.422 176.600 -0.090 0.000 1.036 543 E CA 1.551 57.910 56.400 -0.068 0.000 0.849 543 E CB -0.545 29.127 29.700 -0.047 0.000 0.767 543 E HN 0.143 nan 8.360 nan 0.000 0.461 544 K N 0.984 121.334 120.400 -0.083 0.000 2.173 544 K HA -0.127 4.192 4.320 -0.002 0.000 0.207 544 K C 2.095 178.591 176.600 -0.175 0.000 1.046 544 K CA 1.210 57.431 56.287 -0.110 0.000 0.929 544 K CB -0.538 31.919 32.500 -0.072 0.000 0.720 544 K HN 0.216 nan 8.250 nan 0.000 0.453 545 I N -0.210 120.273 120.570 -0.145 0.000 2.333 545 I HA -0.209 3.959 4.170 -0.002 0.000 0.246 545 I C 1.869 177.895 176.117 -0.150 0.000 1.106 545 I CA 0.842 62.071 61.300 -0.118 0.000 1.411 545 I CB -0.114 37.767 38.000 -0.199 0.000 1.082 545 I HN 0.088 nan 8.210 nan 0.000 0.420 546 L N 0.257 121.397 121.223 -0.139 0.000 2.217 546 L HA -0.120 4.218 4.340 -0.002 0.000 0.211 546 L C 2.772 179.561 176.870 -0.135 0.000 1.107 546 L CA 1.162 55.934 54.840 -0.113 0.000 0.783 546 L CB -0.680 41.330 42.059 -0.082 0.000 0.919 546 L HN 0.316 nan 8.230 nan 0.000 0.442 547 S N -0.095 115.515 115.700 -0.152 0.000 2.368 547 S HA -0.128 4.340 4.470 -0.002 0.000 0.225 547 S C 1.870 176.354 174.600 -0.194 0.000 1.030 547 S CA 1.287 59.404 58.200 -0.139 0.000 0.999 547 S CB -0.633 62.492 63.200 -0.125 0.000 0.844 547 S HN 0.183 nan 8.310 nan 0.000 0.459 548 V N 1.976 121.679 119.914 -0.352 0.000 2.591 548 V HA -0.028 4.091 4.120 -0.002 0.000 0.249 548 V C 2.560 178.263 176.094 -0.653 0.000 1.053 548 V CA 0.978 62.946 62.300 -0.553 0.000 1.068 548 V CB -0.742 30.478 31.823 -1.006 0.000 0.689 548 V HN 0.433 nan 8.190 nan 0.000 0.462 549 I N 0.608 120.920 120.570 -0.430 0.000 2.127 549 I HA -0.260 3.909 4.170 -0.002 0.000 0.241 549 I C 2.471 178.523 176.117 -0.107 0.000 1.075 549 I CA 1.936 63.083 61.300 -0.255 0.000 1.334 549 I CB -0.987 36.958 38.000 -0.092 0.000 1.040 549 I HN 0.358 nan 8.210 nan 0.000 0.405 550 K N 0.762 121.117 120.400 -0.074 0.000 2.148 550 K HA -0.224 4.094 4.320 -0.002 0.000 0.204 550 K C 2.082 178.708 176.600 0.043 0.000 1.050 550 K CA 1.377 57.660 56.287 -0.008 0.000 0.942 550 K CB -0.017 32.470 32.500 -0.022 0.000 0.724 550 K HN 0.300 nan 8.250 nan 0.000 0.446 551 E N -0.329 119.898 120.200 0.045 0.000 2.058 551 E HA -0.213 4.136 4.350 -0.002 0.000 0.194 551 E C 1.514 178.297 176.600 0.305 0.000 0.997 551 E CA 1.501 57.992 56.400 0.153 0.000 0.801 551 E CB -0.100 29.706 29.700 0.178 0.000 0.746 551 E HN 0.369 nan 8.360 nan 0.000 0.450 552 W N 0.126 121.422 121.300 -0.006 0.000 2.379 552 W HA 0.095 4.753 4.660 -0.002 0.000 0.307 552 W C 2.405 178.937 176.519 0.022 0.000 1.200 552 W CA 1.146 58.501 57.345 0.015 0.000 1.297 552 W CB -1.176 28.310 29.460 0.043 0.000 1.140 552 W HN 0.206 nan 8.180 nan 0.000 0.507 553 G N -1.813 107.149 108.800 0.270 0.000 2.920 553 G HA2 0.015 3.974 3.960 -0.002 0.000 0.208 553 G HA3 0.015 3.974 3.960 -0.002 0.000 0.208 553 G C 1.215 176.177 174.900 0.103 0.000 1.159 553 G CA 1.231 46.428 45.100 0.163 0.000 0.784 553 G HN 0.216 nan 8.290 nan 0.000 0.535 554 T N -0.583 114.028 114.554 0.094 0.000 2.964 554 T HA 0.293 4.642 4.350 -0.002 0.000 0.250 554 T C 1.591 176.319 174.700 0.047 0.000 0.982 554 T CA 0.312 62.444 62.100 0.054 0.000 0.959 554 T CB 0.434 69.323 68.868 0.034 0.000 1.141 554 T HN 0.299 nan 8.240 nan 0.000 0.494 555 G N 0.687 109.525 108.800 0.064 0.000 2.684 555 G HA2 0.179 4.137 3.960 -0.002 0.000 0.255 555 G HA3 0.179 4.137 3.960 -0.002 0.000 0.255 555 G C 0.771 175.687 174.900 0.027 0.000 1.219 555 G CA -0.413 44.712 45.100 0.042 0.000 0.901 555 G HN 0.287 nan 8.290 nan 0.000 0.548 556 R N -0.612 119.894 120.500 0.011 0.000 2.185 556 R HA -0.141 4.197 4.340 -0.002 0.000 0.247 556 R C 1.663 177.963 176.300 -0.000 0.000 1.159 556 R CA 1.913 58.015 56.100 0.004 0.000 0.988 556 R CB -0.285 30.012 30.300 -0.006 0.000 0.871 556 R HN 0.629 nan 8.270 nan 0.000 0.458 557 D N 0.476 120.870 120.400 -0.009 0.000 2.133 557 D HA -0.163 4.475 4.640 -0.002 0.000 0.195 557 D C 0.507 176.811 176.300 0.006 0.000 0.997 557 D CA 2.223 56.206 54.000 -0.027 0.000 0.840 557 D CB -0.388 40.372 40.800 -0.066 0.000 0.947 557 D HN 0.510 nan 8.370 nan 0.000 0.452 558 T N -1.523 113.053 114.554 0.036 0.000 3.720 558 T HA -0.247 4.102 4.350 -0.002 0.000 0.381 558 T C 0.299 175.037 174.700 0.063 0.000 0.763 558 T CA 0.134 62.265 62.100 0.051 0.000 1.957 558 T CB -2.461 66.429 68.868 0.037 0.000 1.767 558 T HN 0.180 nan 8.240 nan 0.000 0.743 559 L N -0.011 121.269 121.223 0.095 0.000 2.379 559 L HA 0.564 4.903 4.340 -0.002 0.000 0.269 559 L C 1.104 178.066 176.870 0.153 0.000 1.084 559 L CA -1.165 53.746 54.840 0.119 0.000 0.802 559 L CB 1.200 43.343 42.059 0.140 0.000 1.175 559 L HN 0.349 nan 8.230 nan 0.000 0.448 560 R N 0.862 121.445 120.500 0.137 0.000 2.404 560 R HA 0.465 4.803 4.340 -0.002 0.000 0.291 560 R C -1.472 174.930 176.300 0.169 0.000 1.025 560 R CA -0.413 55.763 56.100 0.127 0.000 0.991 560 R CB 1.136 31.490 30.300 0.090 0.000 1.053 560 R HN 0.619 nan 8.270 nan 0.000 0.479 561 C N 5.084 124.476 119.300 0.153 0.000 2.455 561 C HA 0.507 4.965 4.460 -0.002 0.000 0.320 561 C C -0.529 174.531 174.990 0.116 0.000 1.226 561 C CA -0.721 58.395 59.018 0.164 0.000 1.569 561 C CB 0.942 28.778 27.740 0.160 0.000 2.200 561 C HN 0.694 nan 8.230 nan 0.000 0.491 562 L N 3.228 124.515 121.223 0.107 0.000 2.325 562 L HA 0.626 4.964 4.340 -0.002 0.000 0.281 562 L C 0.238 177.139 176.870 0.052 0.000 1.004 562 L CA -0.140 54.743 54.840 0.072 0.000 0.823 562 L CB 1.409 43.495 42.059 0.045 0.000 1.236 562 L HN 0.812 nan 8.230 nan 0.000 0.415 563 A N 6.002 128.863 122.820 0.068 0.000 2.260 563 A HA 0.698 5.017 4.320 -0.002 0.000 0.308 563 A C -0.552 177.014 177.584 -0.031 0.000 1.254 563 A CA -0.440 51.641 52.037 0.073 0.000 0.874 563 A CB 0.381 19.503 19.000 0.203 0.000 1.153 563 A HN 0.653 nan 8.150 nan 0.000 0.527 564 L N 2.176 123.269 121.223 -0.216 0.000 2.317 564 L HA 0.792 5.131 4.340 -0.002 0.000 0.281 564 L C 0.402 177.064 176.870 -0.348 0.000 1.024 564 L CA -0.317 54.380 54.840 -0.239 0.000 0.810 564 L CB 1.533 43.447 42.059 -0.242 0.000 1.240 564 L HN 0.825 nan 8.230 nan 0.000 0.427 565 A N 1.821 124.550 122.820 -0.152 0.000 2.567 565 A HA 0.934 5.253 4.320 -0.002 0.000 0.289 565 A C -0.694 176.910 177.584 0.033 0.000 1.177 565 A CA -0.457 51.527 52.037 -0.089 0.000 0.694 565 A CB 2.212 21.211 19.000 -0.001 0.000 1.292 565 A HN 0.658 nan 8.150 nan 0.000 0.425 566 T N -1.485 113.116 114.554 0.079 0.000 2.916 566 T HA 0.666 5.014 4.350 -0.002 0.000 0.305 566 T C -0.737 174.027 174.700 0.106 0.000 1.119 566 T CA -0.662 61.534 62.100 0.161 0.000 1.008 566 T CB 1.628 70.651 68.868 0.258 0.000 1.129 566 T HN 0.825 nan 8.240 nan 0.000 0.480 567 R N 1.687 122.225 120.500 0.062 0.000 2.204 567 R HA 0.257 4.596 4.340 -0.002 0.000 0.341 567 R C -0.015 176.302 176.300 0.028 0.000 1.035 567 R CA -0.483 55.654 56.100 0.062 0.000 0.887 567 R CB 0.304 30.638 30.300 0.056 0.000 1.114 567 R HN 0.682 nan 8.270 nan 0.000 0.473 568 D N 1.568 122.009 120.400 0.069 0.000 2.117 568 D HA -0.125 4.513 4.640 -0.002 0.000 0.198 568 D C 0.583 176.896 176.300 0.020 0.000 0.982 568 D CA 1.560 55.584 54.000 0.040 0.000 0.828 568 D CB 0.347 41.179 40.800 0.054 0.000 0.967 568 D HN 0.459 nan 8.370 nan 0.000 0.464 569 T N 2.733 117.321 114.554 0.056 0.000 3.355 569 T HA 0.248 4.596 4.350 -0.002 0.000 0.376 569 T C -2.738 172.004 174.700 0.070 0.000 1.683 569 T CA -2.055 60.078 62.100 0.055 0.000 1.269 569 T CB 0.773 69.686 68.868 0.074 0.000 1.158 569 T HN -0.142 nan 8.240 nan 0.000 0.703 570 P HA 0.350 nan 4.420 nan 0.000 0.275 570 P C -2.638 174.751 177.300 0.148 0.000 1.227 570 P CA -1.425 61.742 63.100 0.112 0.000 0.781 570 P CB 0.079 31.833 31.700 0.089 0.000 0.906 571 P HA 0.040 nan 4.420 nan 0.000 0.269 571 P C 0.047 177.401 177.300 0.090 0.000 1.211 571 P CA 0.254 63.420 63.100 0.110 0.000 0.781 571 P CB 0.283 32.051 31.700 0.114 0.000 0.877 572 K N 1.693 122.126 120.400 0.054 0.000 2.436 572 K HA -0.024 4.295 4.320 -0.002 0.000 0.275 572 K C 1.599 178.176 176.600 -0.038 0.000 0.999 572 K CA 0.153 56.462 56.287 0.037 0.000 0.980 572 K CB 0.349 32.864 32.500 0.025 0.000 0.919 572 K HN 0.378 nan 8.250 nan 0.000 0.484 573 R N 2.553 123.023 120.500 -0.050 0.000 2.122 573 R HA -0.222 4.116 4.340 -0.002 0.000 0.236 573 R C 1.740 177.948 176.300 -0.153 0.000 1.129 573 R CA 2.325 58.321 56.100 -0.175 0.000 0.925 573 R CB -0.116 30.135 30.300 -0.082 0.000 0.850 573 R HN 0.762 nan 8.270 nan 0.000 0.431 574 E N 0.428 120.577 120.200 -0.085 0.000 2.463 574 E HA -0.184 4.165 4.350 -0.002 0.000 0.201 574 E C 0.416 176.970 176.600 -0.076 0.000 1.045 574 E CA 1.046 57.398 56.400 -0.079 0.000 0.872 574 E CB -0.015 29.659 29.700 -0.043 0.000 0.797 574 E HN 0.469 nan 8.360 nan 0.000 0.538 575 E N 0.244 120.400 120.200 -0.074 0.000 2.463 575 E HA 0.227 4.576 4.350 -0.002 0.000 0.193 575 E C 0.281 176.856 176.600 -0.043 0.000 1.041 575 E CA 0.041 56.422 56.400 -0.033 0.000 0.879 575 E CB 0.111 29.815 29.700 0.007 0.000 0.997 575 E HN 0.399 nan 8.360 nan 0.000 0.478 576 M N 0.726 120.214 119.600 -0.186 0.000 2.404 576 M HA 0.245 4.723 4.480 -0.002 0.000 0.338 576 M C -0.083 176.100 176.300 -0.195 0.000 1.150 576 M CA -0.781 54.310 55.300 -0.347 0.000 1.016 576 M CB 2.469 34.618 32.600 -0.751 0.000 1.672 576 M HN -0.321 nan 8.290 nan 0.000 0.448 577 V N 3.585 123.502 119.914 0.003 0.000 2.154 577 V HA 0.151 4.270 4.120 -0.002 0.000 0.265 577 V C 1.123 177.139 176.094 -0.130 0.000 1.293 577 V CA -0.338 61.912 62.300 -0.084 0.000 1.205 577 V CB -1.014 30.760 31.823 -0.082 0.000 1.306 577 V HN 0.888 nan 8.190 nan 0.000 0.479 578 L N 1.080 122.179 121.223 -0.208 0.000 2.563 578 L HA -0.142 4.197 4.340 -0.002 0.000 0.230 578 L C 1.249 178.133 176.870 0.023 0.000 1.162 578 L CA 1.415 56.183 54.840 -0.120 0.000 0.812 578 L CB -0.685 41.036 42.059 -0.562 0.000 0.935 578 L HN 0.791 nan 8.230 nan 0.000 0.451 579 D N -2.759 117.537 120.400 -0.174 0.000 2.670 579 D HA 0.115 4.754 4.640 -0.002 0.000 0.255 579 D C -0.308 175.678 176.300 -0.523 0.000 1.286 579 D CA -0.317 53.491 54.000 -0.320 0.000 0.830 579 D CB 0.225 40.935 40.800 -0.150 0.000 1.065 579 D HN 0.028 nan 8.370 nan 0.000 0.486 580 D N 0.409 120.452 120.400 -0.595 0.000 2.668 580 D HA -0.012 4.627 4.640 -0.002 0.000 0.247 580 D C 1.009 176.893 176.300 -0.694 0.000 1.268 580 D CA -0.041 53.654 54.000 -0.508 0.000 0.842 580 D CB 1.107 41.714 40.800 -0.322 0.000 1.399 580 D HN 0.106 nan 8.370 nan 0.000 0.530 581 S N -0.239 115.101 115.700 -0.601 0.000 2.453 581 S HA -0.334 4.134 4.470 -0.002 0.000 0.250 581 S C 2.001 176.419 174.600 -0.304 0.000 1.044 581 S CA 1.971 59.946 58.200 -0.375 0.000 1.010 581 S CB -0.370 62.990 63.200 0.266 0.000 0.793 581 S HN 0.396 nan 8.310 nan 0.000 0.493 582 S N 3.029 118.561 115.700 -0.281 0.000 2.353 582 S HA -0.154 4.315 4.470 -0.002 0.000 0.222 582 S C 1.856 176.294 174.600 -0.270 0.000 1.035 582 S CA 1.045 59.126 58.200 -0.197 0.000 1.025 582 S CB -0.710 62.389 63.200 -0.168 0.000 0.902 582 S HN 0.643 nan 8.310 nan 0.000 0.440 583 R N 0.071 120.309 120.500 -0.437 0.000 2.341 583 R HA 0.099 4.437 4.340 -0.002 0.000 0.213 583 R C 1.272 177.221 176.300 -0.585 0.000 1.082 583 R CA 0.652 56.412 56.100 -0.565 0.000 1.017 583 R CB -0.485 29.403 30.300 -0.687 0.000 0.860 583 R HN 0.411 nan 8.270 nan 0.000 0.473 584 F N 0.319 120.173 119.950 -0.160 0.000 2.451 584 F HA -0.091 4.434 4.527 -0.002 0.000 0.299 584 F C 2.214 178.000 175.800 -0.024 0.000 1.101 584 F CA 0.755 58.757 58.000 0.003 0.000 1.436 584 F CB -0.324 38.718 39.000 0.071 0.000 1.074 584 F HN 0.012 nan 8.300 nan 0.000 0.553 585 M N -0.321 119.316 119.600 0.061 0.000 2.288 585 M HA -0.132 4.347 4.480 -0.002 0.000 0.266 585 M C 2.314 178.610 176.300 -0.006 0.000 1.072 585 M CA 1.308 56.628 55.300 0.033 0.000 1.132 585 M CB -0.185 32.411 32.600 -0.007 0.000 1.386 585 M HN 0.211 nan 8.290 nan 0.000 0.432 586 E N -0.134 119.991 120.200 -0.124 0.000 2.072 586 E HA -0.219 4.129 4.350 -0.002 0.000 0.191 586 E C 1.306 177.902 176.600 -0.007 0.000 0.985 586 E CA 1.365 57.683 56.400 -0.137 0.000 0.801 586 E CB -0.192 29.330 29.700 -0.297 0.000 0.750 586 E HN 0.541 nan 8.360 nan 0.000 0.452 587 Y N 1.073 121.436 120.300 0.105 0.000 2.639 587 Y HA 0.029 4.578 4.550 -0.002 0.000 0.297 587 Y C 0.717 176.694 175.900 0.128 0.000 1.151 587 Y CA 0.657 58.839 58.100 0.136 0.000 1.335 587 Y CB 0.052 38.640 38.460 0.214 0.000 0.994 587 Y HN 0.093 nan 8.280 nan 0.000 0.548 588 E N 0.418 120.756 120.200 0.229 0.000 2.830 588 E HA 0.158 4.506 4.350 -0.002 0.000 0.225 588 E C 0.282 176.944 176.600 0.103 0.000 1.109 588 E CA -0.099 56.397 56.400 0.160 0.000 1.392 588 E CB 0.249 30.034 29.700 0.142 0.000 1.349 588 E HN 0.261 nan 8.360 nan 0.000 0.433 589 T N -2.936 111.676 114.554 0.096 0.000 2.858 589 T HA 0.313 4.662 4.350 -0.002 0.000 0.285 589 T C 0.062 174.790 174.700 0.047 0.000 1.052 589 T CA -0.626 61.505 62.100 0.052 0.000 1.009 589 T CB 1.574 70.462 68.868 0.033 0.000 1.241 589 T HN 0.037 nan 8.240 nan 0.000 0.542 590 D N -0.327 120.069 120.400 -0.007 0.000 2.737 590 D HA -0.124 4.515 4.640 -0.002 0.000 0.238 590 D C -0.807 175.508 176.300 0.024 0.000 1.157 590 D CA 0.511 54.489 54.000 -0.036 0.000 0.694 590 D CB -1.519 39.312 40.800 0.051 0.000 1.021 590 D HN 0.619 nan 8.370 nan 0.000 0.420 591 L N 0.172 121.397 121.223 0.003 0.000 2.344 591 L HA 0.562 4.900 4.340 -0.002 0.000 0.272 591 L C 0.683 177.614 176.870 0.102 0.000 1.035 591 L CA -0.691 54.191 54.840 0.071 0.000 0.807 591 L CB 1.812 43.915 42.059 0.074 0.000 1.237 591 L HN 0.037 nan 8.230 nan 0.000 0.442 592 T N 1.099 115.747 114.554 0.158 0.000 2.821 592 T HA 0.275 4.623 4.350 -0.002 0.000 0.307 592 T C -0.322 174.465 174.700 0.145 0.000 1.034 592 T CA -0.404 61.818 62.100 0.203 0.000 0.953 592 T CB 0.357 69.350 68.868 0.208 0.000 0.968 592 T HN 0.210 nan 8.240 nan 0.000 0.462 593 F N 3.646 123.624 119.950 0.047 0.000 2.629 593 F HA 0.141 4.666 4.527 -0.002 0.000 0.377 593 F C 0.847 176.638 175.800 -0.016 0.000 1.101 593 F CA 0.289 58.290 58.000 0.002 0.000 1.301 593 F CB 0.576 39.572 39.000 -0.007 0.000 1.062 593 F HN 0.350 nan 8.300 nan 0.000 0.583 594 V N 3.755 123.077 119.914 -0.987 0.000 3.572 594 V HA 0.473 4.592 4.120 -0.002 0.000 0.260 594 V C 0.725 176.299 176.094 -0.866 0.000 1.324 594 V CA 0.467 62.378 62.300 -0.648 0.000 1.068 594 V CB -0.143 31.444 31.823 -0.393 0.000 0.837 594 V HN 1.233 nan 8.190 nan 0.000 0.450 595 G N 0.269 108.052 108.800 -1.696 0.000 2.317 595 G HA2 0.346 4.304 3.960 -0.002 0.000 0.445 595 G HA3 0.346 4.304 3.960 -0.002 0.000 0.445 595 G C -1.284 173.156 174.900 -0.766 0.000 1.486 595 G CA -0.098 44.347 45.100 -1.092 0.000 0.991 595 G HN 0.827 nan 8.290 nan 0.000 0.660 596 V N -1.754 117.802 119.914 -0.597 0.000 2.994 596 V HA 0.940 5.058 4.120 -0.002 0.000 0.318 596 V C -0.352 175.720 176.094 -0.037 0.000 1.085 596 V CA -1.072 61.103 62.300 -0.208 0.000 0.998 596 V CB 1.866 33.680 31.823 -0.015 0.000 1.063 596 V HN 1.456 nan 8.190 nan 0.000 0.447 597 V N 2.400 122.364 119.914 0.084 0.000 2.588 597 V HA 0.856 4.974 4.120 -0.002 0.000 0.304 597 V C 0.559 176.833 176.094 0.300 0.000 1.042 597 V CA 0.397 62.813 62.300 0.194 0.000 0.877 597 V CB 1.645 33.512 31.823 0.074 0.000 0.996 597 V HN 1.394 nan 8.190 nan 0.000 0.425 598 G N 6.370 115.453 108.800 0.472 0.000 2.388 598 G HA2 0.769 4.728 3.960 -0.002 0.000 0.330 598 G HA3 0.769 4.728 3.960 -0.002 0.000 0.330 598 G C -0.755 174.262 174.900 0.195 0.000 1.142 598 G CA -0.619 44.737 45.100 0.428 0.000 0.908 598 G HN 0.790 nan 8.290 nan 0.000 0.473 599 M N 1.465 121.151 119.600 0.144 0.000 2.531 599 M HA 0.770 5.249 4.480 -0.002 0.000 0.286 599 M C -2.253 174.090 176.300 0.072 0.000 1.232 599 M CA -1.077 54.274 55.300 0.086 0.000 0.877 599 M CB 2.339 34.988 32.600 0.082 0.000 1.726 599 M HN 0.435 nan 8.290 nan 0.000 0.463 600 L N 1.526 122.780 121.223 0.052 0.000 2.342 600 L HA 0.657 4.995 4.340 -0.002 0.000 0.271 600 L C -1.303 175.597 176.870 0.050 0.000 1.008 600 L CA 0.288 55.154 54.840 0.043 0.000 0.818 600 L CB 1.830 43.900 42.059 0.018 0.000 1.296 600 L HN 0.842 nan 8.230 nan 0.000 0.427 601 D N 5.346 125.773 120.400 0.044 0.000 2.460 601 D HA 0.339 4.977 4.640 -0.002 0.000 0.268 601 D C -2.541 173.776 176.300 0.028 0.000 1.153 601 D CA -1.979 52.047 54.000 0.043 0.000 0.929 601 D CB 0.819 41.647 40.800 0.046 0.000 1.015 601 D HN 0.282 nan 8.370 nan 0.000 0.502 602 P HA 0.113 nan 4.420 nan 0.000 0.264 602 P C -2.540 174.767 177.300 0.011 0.000 1.193 602 P CA -0.939 62.167 63.100 0.010 0.000 0.763 602 P CB 0.343 32.045 31.700 0.003 0.000 0.810 603 P HA 0.168 nan 4.420 nan 0.000 0.271 603 P C -0.000 177.309 177.300 0.016 0.000 1.218 603 P CA -0.124 62.981 63.100 0.009 0.000 0.780 603 P CB 0.809 32.510 31.700 0.002 0.000 0.901 604 R N 2.428 122.945 120.500 0.027 0.000 2.347 604 R HA 0.056 4.394 4.340 -0.002 0.000 0.304 604 R C 1.506 177.829 176.300 0.039 0.000 1.072 604 R CA -0.143 55.977 56.100 0.033 0.000 0.980 604 R CB 0.298 30.625 30.300 0.045 0.000 0.986 604 R HN 0.425 nan 8.270 nan 0.000 0.448 605 K N 2.802 123.219 120.400 0.027 0.000 2.057 605 K HA -0.346 3.972 4.320 -0.002 0.000 0.230 605 K C 1.350 177.974 176.600 0.039 0.000 0.885 605 K CA 2.644 58.947 56.287 0.026 0.000 1.000 605 K CB -0.305 32.206 32.500 0.019 0.000 0.664 605 K HN 0.627 nan 8.250 nan 0.000 0.621 606 E N 0.943 121.168 120.200 0.041 0.000 2.324 606 E HA -0.202 4.146 4.350 -0.002 0.000 0.205 606 E C 1.819 178.470 176.600 0.086 0.000 1.031 606 E CA 1.480 57.909 56.400 0.049 0.000 0.836 606 E CB -0.716 29.006 29.700 0.037 0.000 0.742 606 E HN 0.232 nan 8.360 nan 0.000 0.491 607 V N 0.882 120.864 119.914 0.113 0.000 2.255 607 V HA -0.341 3.778 4.120 -0.002 0.000 0.247 607 V C 2.235 178.403 176.094 0.123 0.000 1.051 607 V CA 2.142 64.551 62.300 0.181 0.000 1.018 607 V CB -0.529 31.367 31.823 0.122 0.000 0.641 607 V HN 0.309 nan 8.190 nan 0.000 0.445 608 M N 0.410 120.047 119.600 0.062 0.000 2.151 608 M HA -0.212 4.266 4.480 -0.002 0.000 0.256 608 M C 2.354 178.686 176.300 0.053 0.000 1.072 608 M CA 2.588 57.910 55.300 0.038 0.000 1.090 608 M CB -1.976 30.639 32.600 0.024 0.000 1.294 608 M HN 0.482 nan 8.290 nan 0.000 0.415 609 G N -0.068 108.763 108.800 0.053 0.000 2.511 609 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 609 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 609 G C 1.625 176.566 174.900 0.068 0.000 1.218 609 G CA 1.418 46.547 45.100 0.047 0.000 0.788 609 G HN 0.515 nan 8.290 nan 0.000 0.560 610 S N 0.452 116.208 115.700 0.094 0.000 2.423 610 S HA -0.119 4.350 4.470 -0.002 0.000 0.238 610 S C 2.188 176.915 174.600 0.211 0.000 1.028 610 S CA 0.902 59.169 58.200 0.112 0.000 1.000 610 S CB -0.152 63.112 63.200 0.108 0.000 0.797 610 S HN 0.292 nan 8.310 nan 0.000 0.487 611 I N 1.069 121.770 120.570 0.218 0.000 2.333 611 I HA -0.076 4.092 4.170 -0.002 0.000 0.246 611 I C 2.590 178.758 176.117 0.084 0.000 1.106 611 I CA 1.107 62.509 61.300 0.170 0.000 1.411 611 I CB -1.332 36.698 38.000 0.049 0.000 1.082 611 I HN 0.298 nan 8.210 nan 0.000 0.420 612 Q N 1.647 121.482 119.800 0.058 0.000 2.050 612 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 612 Q C 2.272 178.292 176.000 0.033 0.000 0.980 612 Q CA 1.678 57.501 55.803 0.033 0.000 0.840 612 Q CB -0.461 28.292 28.738 0.025 0.000 0.898 612 Q HN 0.460 nan 8.270 nan 0.000 0.424 613 L N -0.483 120.762 121.223 0.037 0.000 2.051 613 L HA -0.325 4.014 4.340 -0.002 0.000 0.214 613 L C 2.550 179.435 176.870 0.026 0.000 1.076 613 L CA 1.451 56.306 54.840 0.024 0.000 0.758 613 L CB -0.871 41.196 42.059 0.013 0.000 0.890 613 L HN 0.406 nan 8.230 nan 0.000 0.433 614 C N -0.551 118.776 119.300 0.046 0.000 2.425 614 C HA -0.128 4.331 4.460 -0.002 0.000 0.277 614 C C 2.887 177.895 174.990 0.029 0.000 1.280 614 C CA 0.420 59.467 59.018 0.047 0.000 1.744 614 C CB -1.056 26.740 27.740 0.093 0.000 1.989 614 C HN 0.444 nan 8.230 nan 0.000 0.491 615 R N 1.470 121.984 120.500 0.023 0.000 2.096 615 R HA -0.135 4.204 4.340 -0.002 0.000 0.229 615 R C 1.801 178.107 176.300 0.010 0.000 1.134 615 R CA 1.985 58.091 56.100 0.010 0.000 0.917 615 R CB -0.726 29.579 30.300 0.007 0.000 0.832 615 R HN 0.583 nan 8.270 nan 0.000 0.430 616 D N 0.801 121.208 120.400 0.011 0.000 2.190 616 D HA -0.169 4.469 4.640 -0.002 0.000 0.200 616 D C 1.654 177.960 176.300 0.010 0.000 0.992 616 D CA 1.448 55.454 54.000 0.009 0.000 0.854 616 D CB -0.269 40.536 40.800 0.009 0.000 0.936 616 D HN 0.338 nan 8.370 nan 0.000 0.462 617 A N 0.212 123.040 122.820 0.012 0.000 2.067 617 A HA 0.307 4.625 4.320 -0.002 0.000 0.217 617 A C 2.068 179.659 177.584 0.012 0.000 1.156 617 A CA 1.491 53.535 52.037 0.012 0.000 0.683 617 A CB -0.429 18.579 19.000 0.013 0.000 0.808 617 A HN 0.335 nan 8.150 nan 0.000 0.455 618 G N -1.155 107.652 108.800 0.011 0.000 2.162 618 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.260 618 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.260 618 G C 0.154 175.061 174.900 0.012 0.000 0.976 618 G CA 0.330 45.435 45.100 0.009 0.000 0.655 618 G HN 0.501 nan 8.290 nan 0.000 0.533 619 I N 1.007 121.588 120.570 0.019 0.000 2.396 619 I HA 0.274 4.442 4.170 -0.002 0.000 0.289 619 I C 1.157 177.292 176.117 0.031 0.000 1.056 619 I CA -0.638 60.679 61.300 0.027 0.000 1.365 619 I CB 0.878 38.898 38.000 0.034 0.000 1.407 619 I HN 0.155 nan 8.210 nan 0.000 0.509 620 R N 5.138 125.654 120.500 0.027 0.000 2.582 620 R HA 0.507 4.846 4.340 -0.002 0.000 0.271 620 R C -1.220 175.098 176.300 0.029 0.000 1.078 620 R CA -0.327 55.781 56.100 0.013 0.000 1.127 620 R CB 0.958 31.263 30.300 0.009 0.000 1.038 620 R HN 0.472 nan 8.270 nan 0.000 0.500 621 V N 5.710 125.617 119.914 -0.012 0.000 2.482 621 V HA 0.370 4.489 4.120 -0.002 0.000 0.295 621 V C -0.196 175.848 176.094 -0.083 0.000 1.026 621 V CA -0.662 61.627 62.300 -0.018 0.000 0.856 621 V CB 1.422 33.217 31.823 -0.047 0.000 1.001 621 V HN 0.655 nan 8.190 nan 0.000 0.424 622 I N 5.026 125.581 120.570 -0.025 0.000 2.359 622 I HA 0.466 4.634 4.170 -0.002 0.000 0.294 622 I C -0.012 176.097 176.117 -0.015 0.000 0.987 622 I CA -0.358 60.935 61.300 -0.011 0.000 1.225 622 I CB 1.762 39.834 38.000 0.119 0.000 1.366 622 I HN 0.561 nan 8.210 nan 0.000 0.466 623 M N 7.838 127.412 119.600 -0.043 0.000 2.055 623 M HA 0.475 4.954 4.480 -0.002 0.000 0.347 623 M C -1.182 175.158 176.300 0.067 0.000 1.123 623 M CA -0.477 54.802 55.300 -0.034 0.000 1.035 623 M CB 0.614 33.161 32.600 -0.087 0.000 1.484 623 M HN 0.485 nan 8.290 nan 0.000 0.428 624 I N 5.530 126.152 120.570 0.087 0.000 2.312 624 I HA 0.281 4.450 4.170 -0.002 0.000 0.291 624 I C 0.449 176.609 176.117 0.072 0.000 1.031 624 I CA -0.132 61.240 61.300 0.121 0.000 1.293 624 I CB 1.270 39.319 38.000 0.082 0.000 1.403 624 I HN 0.696 nan 8.210 nan 0.000 0.484 625 T N 1.162 115.767 114.554 0.085 0.000 2.804 625 T HA 0.559 4.908 4.350 -0.002 0.000 0.290 625 T C 0.469 175.208 174.700 0.066 0.000 1.099 625 T CA -0.444 61.693 62.100 0.062 0.000 1.011 625 T CB 1.809 70.708 68.868 0.052 0.000 1.291 625 T HN 0.524 nan 8.240 nan 0.000 0.523 626 G N -0.455 108.378 108.800 0.055 0.000 3.519 626 G HA2 0.267 4.226 3.960 -0.002 0.000 0.269 626 G HA3 0.267 4.226 3.960 -0.002 0.000 0.269 626 G C -0.035 174.900 174.900 0.058 0.000 1.028 626 G CA -0.253 44.881 45.100 0.056 0.000 0.809 626 G HN 0.686 nan 8.290 nan 0.000 0.521 627 D N 0.905 121.340 120.400 0.058 0.000 2.387 627 D HA 0.144 4.782 4.640 -0.002 0.000 0.251 627 D C 0.338 176.677 176.300 0.066 0.000 1.141 627 D CA -0.255 53.780 54.000 0.059 0.000 0.987 627 D CB 1.102 41.934 40.800 0.054 0.000 1.116 627 D HN 0.345 nan 8.370 nan 0.000 0.491 628 N N -0.544 118.194 118.700 0.065 0.000 2.399 628 N HA 0.009 4.748 4.740 -0.002 0.000 0.250 628 N C 0.780 176.323 175.510 0.055 0.000 1.272 628 N CA -0.544 52.545 53.050 0.064 0.000 0.928 628 N CB 1.448 39.972 38.487 0.061 0.000 1.158 628 N HN 0.240 nan 8.380 nan 0.000 0.463 629 K N 0.307 120.736 120.400 0.049 0.000 2.009 629 K HA -0.154 4.165 4.320 -0.002 0.000 0.210 629 K C 2.051 178.663 176.600 0.020 0.000 1.049 629 K CA 1.714 58.022 56.287 0.034 0.000 0.929 629 K CB -0.949 31.564 32.500 0.021 0.000 0.714 629 K HN 0.775 nan 8.250 nan 0.000 0.440 630 G N -0.340 108.469 108.800 0.016 0.000 2.507 630 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.221 630 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.221 630 G C 1.375 176.289 174.900 0.023 0.000 1.119 630 G CA 1.666 46.772 45.100 0.010 0.000 0.751 630 G HN 0.373 nan 8.290 nan 0.000 0.574 631 T N 0.645 115.222 114.554 0.039 0.000 3.010 631 T HA 0.329 4.677 4.350 -0.002 0.000 0.252 631 T C 2.812 177.541 174.700 0.048 0.000 1.047 631 T CA 0.915 63.044 62.100 0.048 0.000 1.140 631 T CB -0.190 68.712 68.868 0.058 0.000 0.885 631 T HN 0.370 nan 8.240 nan 0.000 0.464 632 A N 2.082 124.932 122.820 0.050 0.000 1.842 632 A HA -0.115 4.203 4.320 -0.002 0.000 0.217 632 A C 2.118 179.745 177.584 0.072 0.000 1.206 632 A CA 1.623 53.694 52.037 0.058 0.000 0.630 632 A CB -1.151 17.886 19.000 0.063 0.000 0.839 632 A HN 0.461 nan 8.150 nan 0.000 0.447 633 I N -0.498 120.112 120.570 0.067 0.000 2.195 633 I HA -0.445 3.724 4.170 -0.002 0.000 0.232 633 I C 2.970 179.139 176.117 0.087 0.000 0.986 633 I CA 1.792 63.136 61.300 0.072 0.000 1.283 633 I CB -0.847 37.128 38.000 -0.043 0.000 0.990 633 I HN 0.488 nan 8.210 nan 0.000 0.390 634 A N 1.163 124.008 122.820 0.042 0.000 1.877 634 A HA -0.306 4.012 4.320 -0.002 0.000 0.218 634 A C 2.250 179.870 177.584 0.060 0.000 1.301 634 A CA 2.484 54.546 52.037 0.042 0.000 0.699 634 A CB -1.266 17.756 19.000 0.036 0.000 0.844 634 A HN 0.492 nan 8.150 nan 0.000 0.464 635 I N -0.581 120.019 120.570 0.050 0.000 2.178 635 I HA -0.499 3.670 4.170 -0.002 0.000 0.243 635 I C 2.719 178.859 176.117 0.038 0.000 1.019 635 I CA 2.278 63.601 61.300 0.038 0.000 1.294 635 I CB -1.000 37.019 38.000 0.032 0.000 0.996 635 I HN 0.559 nan 8.210 nan 0.000 0.415 636 C N 0.448 119.789 119.300 0.069 0.000 2.388 636 C HA -0.209 4.249 4.460 -0.002 0.000 0.277 636 C C 2.806 177.842 174.990 0.077 0.000 1.210 636 C CA 1.369 60.425 59.018 0.063 0.000 1.743 636 C CB -1.390 26.465 27.740 0.193 0.000 2.047 636 C HN 0.488 nan 8.230 nan 0.000 0.458 637 R N 0.418 121.013 120.500 0.159 0.000 2.159 637 R HA -0.116 4.223 4.340 -0.002 0.000 0.237 637 R C 2.348 178.682 176.300 0.058 0.000 1.131 637 R CA 0.828 57.006 56.100 0.129 0.000 0.982 637 R CB -0.446 29.921 30.300 0.112 0.000 0.868 637 R HN 0.451 nan 8.270 nan 0.000 0.453 638 R N 1.973 122.497 120.500 0.042 0.000 2.148 638 R HA -0.077 4.261 4.340 -0.002 0.000 0.227 638 R C 2.003 178.308 176.300 0.008 0.000 1.103 638 R CA 1.430 57.543 56.100 0.021 0.000 0.983 638 R CB -0.037 30.273 30.300 0.018 0.000 0.874 638 R HN 0.479 nan 8.270 nan 0.000 0.451 639 I N -5.315 115.253 120.570 -0.003 0.000 3.265 639 I HA 0.336 4.505 4.170 -0.002 0.000 0.282 639 I C 1.190 177.292 176.117 -0.024 0.000 1.207 639 I CA 0.904 62.191 61.300 -0.022 0.000 1.449 639 I CB 0.491 38.458 38.000 -0.055 0.000 1.121 639 I HN 0.133 nan 8.210 nan 0.000 0.442 640 G N 1.404 110.188 108.800 -0.026 0.000 2.227 640 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.168 640 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.168 640 G C 0.728 175.577 174.900 -0.086 0.000 1.006 640 G CA 0.152 45.236 45.100 -0.028 0.000 0.684 640 G HN 0.180 nan 8.290 nan 0.000 0.489 641 I N 0.087 120.559 120.570 -0.163 0.000 2.286 641 I HA 0.141 4.309 4.170 -0.002 0.000 0.248 641 I C 0.956 176.761 176.117 -0.519 0.000 1.115 641 I CA 1.459 62.535 61.300 -0.375 0.000 1.392 641 I CB -0.628 37.082 38.000 -0.484 0.000 1.065 641 I HN 0.147 nan 8.210 nan 0.000 0.418 642 F N -0.770 119.157 119.950 -0.039 0.000 2.611 642 F HA 0.607 5.133 4.527 -0.002 0.000 0.324 642 F C 0.732 176.515 175.800 -0.028 0.000 1.061 642 F CA -1.259 56.719 58.000 -0.036 0.000 0.954 642 F CB 1.383 40.357 39.000 -0.043 0.000 1.301 642 F HN -0.256 nan 8.300 nan 0.000 0.482 643 G N 0.705 109.628 108.800 0.205 0.000 2.415 643 G HA2 0.438 4.397 3.960 -0.002 0.000 0.317 643 G HA3 0.438 4.397 3.960 -0.002 0.000 0.317 643 G C -0.819 174.123 174.900 0.070 0.000 1.152 643 G CA -0.717 44.441 45.100 0.097 0.000 0.956 643 G HN 0.720 nan 8.290 nan 0.000 0.458 644 E N 2.771 123.002 120.200 0.052 0.000 3.231 644 E HA -0.240 4.108 4.350 -0.002 0.000 0.271 644 E C 0.275 176.878 176.600 0.005 0.000 0.877 644 E CA 0.648 57.062 56.400 0.023 0.000 0.973 644 E CB 0.108 29.817 29.700 0.015 0.000 0.922 644 E HN 0.512 nan 8.360 nan 0.000 0.532 645 N N 0.280 118.969 118.700 -0.017 0.000 2.977 645 N HA -0.143 4.595 4.740 -0.002 0.000 0.178 645 N C -0.812 174.669 175.510 -0.049 0.000 1.273 645 N CA 1.309 54.340 53.050 -0.031 0.000 1.100 645 N CB -0.967 37.509 38.487 -0.018 0.000 0.979 645 N HN 0.657 nan 8.380 nan 0.000 0.562 646 E N 2.211 122.386 120.200 -0.041 0.000 2.481 646 E HA 0.012 4.361 4.350 -0.002 0.000 0.263 646 E C 0.215 176.721 176.600 -0.157 0.000 0.992 646 E CA 0.623 56.986 56.400 -0.061 0.000 0.938 646 E CB 0.323 30.026 29.700 0.004 0.000 0.933 646 E HN 0.245 nan 8.360 nan 0.000 0.453 647 E N 1.313 121.427 120.200 -0.144 0.000 2.223 647 E HA 0.113 4.461 4.350 -0.002 0.000 0.282 647 E C 0.210 176.634 176.600 -0.293 0.000 1.046 647 E CA -0.202 56.087 56.400 -0.185 0.000 0.857 647 E CB 0.960 30.586 29.700 -0.123 0.000 1.055 647 E HN 0.162 nan 8.360 nan 0.000 0.409 648 V N 2.900 122.572 119.914 -0.402 0.000 3.528 648 V HA 0.004 4.123 4.120 -0.002 0.000 0.294 648 V C 1.680 177.539 176.094 -0.391 0.000 1.404 648 V CA 0.779 62.730 62.300 -0.581 0.000 1.065 648 V CB 0.304 31.436 31.823 -1.152 0.000 0.904 648 V HN 0.770 nan 8.190 nan 0.000 0.435 649 A N 2.090 124.736 122.820 -0.289 0.000 1.915 649 A HA -0.324 3.995 4.320 -0.002 0.000 0.220 649 A C 1.976 179.340 177.584 -0.365 0.000 1.198 649 A CA 2.640 54.515 52.037 -0.269 0.000 0.647 649 A CB -0.480 18.406 19.000 -0.190 0.000 0.825 649 A HN 0.718 nan 8.150 nan 0.000 0.456 650 D N -1.384 118.831 120.400 -0.308 0.000 2.271 650 D HA -0.062 4.577 4.640 -0.002 0.000 0.206 650 D C 1.724 177.833 176.300 -0.318 0.000 0.967 650 D CA 0.687 54.481 54.000 -0.342 0.000 0.867 650 D CB -0.554 40.174 40.800 -0.121 0.000 0.960 650 D HN 0.506 nan 8.370 nan 0.000 0.509 651 R N 0.140 120.533 120.500 -0.178 0.000 2.313 651 R HA 0.392 4.731 4.340 -0.002 0.000 0.199 651 R C 0.079 176.381 176.300 0.005 0.000 0.958 651 R CA 0.470 56.581 56.100 0.017 0.000 1.047 651 R CB 0.431 30.858 30.300 0.211 0.000 0.955 651 R HN 0.138 nan 8.270 nan 0.000 0.481 652 A N 0.480 123.153 122.820 -0.244 0.000 2.530 652 A HA 0.485 4.803 4.320 -0.002 0.000 0.279 652 A C -1.342 176.069 177.584 -0.289 0.000 1.109 652 A CA -0.716 51.213 52.037 -0.181 0.000 0.763 652 A CB 0.498 19.459 19.000 -0.065 0.000 1.257 652 A HN 0.117 nan 8.150 nan 0.000 0.424 653 Y N 0.223 120.464 120.300 -0.098 0.000 2.618 653 Y HA 0.797 5.345 4.550 -0.002 0.000 0.326 653 Y C 1.143 177.100 175.900 0.095 0.000 1.168 653 Y CA -0.500 57.624 58.100 0.041 0.000 1.269 653 Y CB 1.623 40.190 38.460 0.179 0.000 1.388 653 Y HN 0.542 nan 8.280 nan 0.000 0.528 654 T N -0.999 113.742 114.554 0.313 0.000 2.932 654 T HA 0.374 4.723 4.350 -0.002 0.000 0.289 654 T C 1.231 176.051 174.700 0.200 0.000 1.039 654 T CA -0.033 62.196 62.100 0.216 0.000 1.024 654 T CB 1.082 70.037 68.868 0.145 0.000 1.090 654 T HN 0.855 nan 8.240 nan 0.000 0.496 655 G N 2.463 111.342 108.800 0.133 0.000 2.606 655 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.221 655 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.221 655 G C 1.502 176.492 174.900 0.152 0.000 1.152 655 G CA 1.777 46.930 45.100 0.087 0.000 0.765 655 G HN 0.669 nan 8.290 nan 0.000 0.595 656 R N 0.565 121.163 120.500 0.164 0.000 2.052 656 R HA 0.087 4.426 4.340 -0.002 0.000 0.224 656 R C 2.580 178.981 176.300 0.169 0.000 1.165 656 R CA 1.813 58.011 56.100 0.162 0.000 0.939 656 R CB -0.981 29.393 30.300 0.124 0.000 0.834 656 R HN 0.491 nan 8.270 nan 0.000 0.435 657 E N -0.420 119.881 120.200 0.168 0.000 2.149 657 E HA -0.305 4.043 4.350 -0.002 0.000 0.215 657 E C 1.822 178.520 176.600 0.164 0.000 1.055 657 E CA 2.043 58.547 56.400 0.173 0.000 0.870 657 E CB -0.477 29.361 29.700 0.230 0.000 0.764 657 E HN 0.313 nan 8.360 nan 0.000 0.463 658 F N 2.009 121.999 119.950 0.067 0.000 2.091 658 F HA -0.262 4.263 4.527 -0.002 0.000 0.299 658 F C 1.973 177.768 175.800 -0.010 0.000 1.103 658 F CA 1.899 59.880 58.000 -0.031 0.000 1.228 658 F CB -0.069 38.862 39.000 -0.114 0.000 0.984 658 F HN -0.041 nan 8.300 nan 0.000 0.477 659 D N 0.116 120.664 120.400 0.247 0.000 2.182 659 D HA -0.192 4.447 4.640 -0.002 0.000 0.201 659 D C 1.787 178.121 176.300 0.056 0.000 0.986 659 D CA 1.537 55.665 54.000 0.212 0.000 0.847 659 D CB -0.363 40.592 40.800 0.259 0.000 0.942 659 D HN 0.442 nan 8.370 nan 0.000 0.467 660 D N 0.914 121.335 120.400 0.035 0.000 2.078 660 D HA -0.059 4.580 4.640 -0.002 0.000 0.193 660 D C 1.111 177.378 176.300 -0.055 0.000 0.990 660 D CA 0.263 54.267 54.000 0.007 0.000 0.827 660 D CB -0.190 40.626 40.800 0.028 0.000 0.975 660 D HN 0.207 nan 8.370 nan 0.000 0.451 661 L N 3.046 124.195 121.223 -0.122 0.000 2.605 661 L HA -0.028 4.311 4.340 -0.002 0.000 0.296 661 L C -1.888 174.867 176.870 -0.191 0.000 1.255 661 L CA -0.723 54.004 54.840 -0.188 0.000 0.879 661 L CB -0.497 41.352 42.059 -0.349 0.000 1.124 661 L HN 0.018 nan 8.230 nan 0.000 0.507 662 P HA 0.105 nan 4.420 nan 0.000 0.277 662 P C 0.955 178.192 177.300 -0.106 0.000 1.240 662 P CA -0.562 62.485 63.100 -0.089 0.000 0.798 662 P CB 0.989 32.658 31.700 -0.052 0.000 0.979 663 L N 1.226 122.425 121.223 -0.040 0.000 2.198 663 L HA -0.343 3.996 4.340 -0.002 0.000 0.218 663 L C 2.459 179.325 176.870 -0.007 0.000 1.084 663 L CA 2.232 57.085 54.840 0.022 0.000 0.779 663 L CB -1.524 40.571 42.059 0.060 0.000 0.890 663 L HN 0.432 nan 8.230 nan 0.000 0.439 664 A N 0.580 123.381 122.820 -0.032 0.000 1.829 664 A HA -0.280 4.038 4.320 -0.002 0.000 0.216 664 A C 2.225 179.759 177.584 -0.082 0.000 1.207 664 A CA 2.024 54.042 52.037 -0.032 0.000 0.622 664 A CB -0.709 18.277 19.000 -0.024 0.000 0.846 664 A HN 0.394 nan 8.150 nan 0.000 0.447 665 E N -0.442 119.686 120.200 -0.121 0.000 2.265 665 E HA -0.193 4.156 4.350 -0.002 0.000 0.196 665 E C 1.998 178.397 176.600 -0.335 0.000 0.996 665 E CA 1.571 57.873 56.400 -0.164 0.000 0.832 665 E CB -0.364 29.256 29.700 -0.134 0.000 0.756 665 E HN 0.636 nan 8.360 nan 0.000 0.491 666 Q N 0.325 119.849 119.800 -0.459 0.000 1.998 666 Q HA -0.254 4.085 4.340 -0.002 0.000 0.209 666 Q C 2.267 177.766 176.000 -0.835 0.000 1.002 666 Q CA 2.719 58.041 55.803 -0.802 0.000 0.858 666 Q CB -0.249 28.129 28.738 -0.601 0.000 0.932 666 Q HN 0.265 nan 8.270 nan 0.000 0.416 667 R N -0.147 119.899 120.500 -0.756 0.000 2.097 667 R HA -0.224 4.115 4.340 -0.002 0.000 0.236 667 R C 2.133 178.412 176.300 -0.035 0.000 1.135 667 R CA 1.855 57.684 56.100 -0.452 0.000 0.934 667 R CB -0.203 30.115 30.300 0.030 0.000 0.846 667 R HN 0.269 nan 8.270 nan 0.000 0.431 668 E N 0.343 120.544 120.200 0.000 0.000 2.035 668 E HA -0.266 4.082 4.350 -0.002 0.000 0.204 668 E C 1.960 178.591 176.600 0.052 0.000 1.025 668 E CA 1.555 58.006 56.400 0.084 0.000 0.835 668 E CB -0.748 28.974 29.700 0.038 0.000 0.764 668 E HN 0.492 nan 8.360 nan 0.000 0.457 669 A N 1.164 123.946 122.820 -0.063 0.000 1.923 669 A HA -0.338 3.981 4.320 -0.002 0.000 0.222 669 A C 2.716 180.348 177.584 0.081 0.000 1.258 669 A CA 2.404 54.388 52.037 -0.088 0.000 0.670 669 A CB -1.391 17.164 19.000 -0.742 0.000 0.834 669 A HN 0.460 nan 8.150 nan 0.000 0.470 670 C N -0.524 118.843 119.300 0.112 0.000 2.410 670 C HA -0.104 4.355 4.460 -0.002 0.000 0.281 670 C C 2.819 177.944 174.990 0.224 0.000 1.318 670 C CA 1.239 60.416 59.018 0.264 0.000 1.776 670 C CB -1.493 26.430 27.740 0.306 0.000 1.942 670 C HN 0.807 nan 8.230 nan 0.000 0.508 671 R N 1.653 122.233 120.500 0.132 0.000 2.200 671 R HA -0.019 4.320 4.340 -0.002 0.000 0.208 671 R C 2.008 178.269 176.300 -0.065 0.000 1.033 671 R CA 1.220 57.250 56.100 -0.117 0.000 1.000 671 R CB -0.361 29.510 30.300 -0.716 0.000 0.906 671 R HN 0.661 nan 8.270 nan 0.000 0.462 672 R N 0.457 120.964 120.500 0.011 0.000 2.221 672 R HA 0.375 4.713 4.340 -0.002 0.000 0.195 672 R C 0.571 176.907 176.300 0.061 0.000 0.956 672 R CA 0.278 56.395 56.100 0.029 0.000 1.064 672 R CB 0.024 30.348 30.300 0.040 0.000 1.049 672 R HN 0.072 nan 8.270 nan 0.000 0.534 673 A N 0.892 123.769 122.820 0.096 0.000 2.561 673 A HA 0.155 4.473 4.320 -0.002 0.000 0.234 673 A C 0.434 177.968 177.584 -0.083 0.000 1.055 673 A CA 0.024 52.078 52.037 0.027 0.000 0.756 673 A CB 0.183 19.151 19.000 -0.054 0.000 0.986 673 A HN 0.587 nan 8.150 nan 0.000 0.505 674 C N 0.525 119.767 119.300 -0.097 0.000 3.657 674 C HA 0.386 4.844 4.460 -0.002 0.000 0.291 674 C C 0.284 175.167 174.990 -0.179 0.000 1.572 674 C CA -0.102 58.810 59.018 -0.176 0.000 1.818 674 C CB -1.089 26.441 27.740 -0.350 0.000 2.903 674 C HN 0.913 nan 8.230 nan 0.000 0.632 675 C N 1.705 120.900 119.300 -0.174 0.000 3.027 675 C HA 0.606 5.064 4.460 -0.002 0.000 0.350 675 C C -1.339 173.556 174.990 -0.159 0.000 1.042 675 C CA -0.499 58.472 59.018 -0.077 0.000 1.350 675 C CB -1.218 26.598 27.740 0.127 0.000 1.809 675 C HN 0.411 nan 8.230 nan 0.000 0.513 676 F N 4.762 124.742 119.950 0.049 0.000 2.350 676 F HA 0.597 5.122 4.527 -0.002 0.000 0.365 676 F C 0.875 176.682 175.800 0.013 0.000 1.122 676 F CA -0.002 58.008 58.000 0.017 0.000 1.139 676 F CB 1.189 40.141 39.000 -0.080 0.000 1.220 676 F HN 0.776 nan 8.300 nan 0.000 0.499 677 A N 3.979 126.917 122.820 0.195 0.000 2.301 677 A HA 0.717 5.036 4.320 -0.002 0.000 0.312 677 A C 0.601 178.262 177.584 0.127 0.000 1.182 677 A CA -0.652 51.465 52.037 0.134 0.000 0.826 677 A CB 0.480 19.540 19.000 0.099 0.000 1.134 677 A HN 0.778 nan 8.150 nan 0.000 0.501 678 R N 0.034 120.598 120.500 0.107 0.000 3.656 678 R HA -0.129 4.210 4.340 -0.002 0.000 0.297 678 R C -0.167 176.204 176.300 0.119 0.000 1.166 678 R CA 0.716 56.880 56.100 0.106 0.000 0.799 678 R CB -3.083 27.282 30.300 0.110 0.000 1.285 678 R HN 0.578 nan 8.270 nan 0.000 0.477 679 V N 0.811 120.791 119.914 0.109 0.000 3.032 679 V HA -0.047 4.072 4.120 -0.002 0.000 0.307 679 V C 1.382 177.587 176.094 0.185 0.000 1.097 679 V CA 0.793 63.170 62.300 0.129 0.000 1.191 679 V CB 0.869 32.720 31.823 0.047 0.000 0.964 679 V HN 0.223 nan 8.190 nan 0.000 0.494 680 E N 4.895 125.314 120.200 0.366 0.000 2.334 680 E HA 0.376 4.725 4.350 -0.002 0.000 0.256 680 E C -1.549 174.970 176.600 -0.135 0.000 0.958 680 E CA -1.647 54.778 56.400 0.040 0.000 0.821 680 E CB 1.830 31.483 29.700 -0.079 0.000 1.269 680 E HN 0.448 nan 8.360 nan 0.000 0.413 681 P HA -0.292 nan 4.420 nan 0.000 0.211 681 P C 1.347 178.525 177.300 -0.204 0.000 1.181 681 P CA 2.293 65.291 63.100 -0.170 0.000 0.929 681 P CB -0.167 31.437 31.700 -0.159 0.000 0.789 682 S N -0.736 114.798 115.700 -0.277 0.000 2.392 682 S HA -0.280 4.188 4.470 -0.002 0.000 0.232 682 S C 2.001 176.495 174.600 -0.177 0.000 1.041 682 S CA 1.474 59.540 58.200 -0.224 0.000 1.026 682 S CB -1.802 61.262 63.200 -0.226 0.000 0.845 682 S HN 0.187 nan 8.310 nan 0.000 0.465 683 H N 2.283 121.267 119.070 -0.144 0.000 2.252 683 H HA -0.016 4.538 4.556 -0.002 0.000 0.292 683 H C 2.211 177.353 175.328 -0.310 0.000 1.082 683 H CA 1.742 57.614 56.048 -0.294 0.000 1.229 683 H CB -0.748 28.766 29.762 -0.412 0.000 1.353 683 H HN 0.454 nan 8.280 nan 0.000 0.488 684 K N 0.119 120.450 120.400 -0.116 0.000 2.259 684 K HA -0.170 4.148 4.320 -0.002 0.000 0.206 684 K C 2.363 178.905 176.600 -0.096 0.000 1.044 684 K CA 1.460 57.673 56.287 -0.123 0.000 0.931 684 K CB -0.104 32.347 32.500 -0.080 0.000 0.726 684 K HN 0.157 nan 8.250 nan 0.000 0.467 685 S N 0.179 115.830 115.700 -0.083 0.000 2.452 685 S HA 0.010 4.479 4.470 -0.002 0.000 0.225 685 S C 1.578 176.145 174.600 -0.055 0.000 1.057 685 S CA 0.341 58.502 58.200 -0.064 0.000 0.949 685 S CB 0.225 63.386 63.200 -0.064 0.000 0.836 685 S HN 0.182 nan 8.310 nan 0.000 0.518 686 K N 1.028 121.412 120.400 -0.027 0.000 2.074 686 K HA -0.094 4.224 4.320 -0.002 0.000 0.209 686 K C 1.936 178.596 176.600 0.100 0.000 1.048 686 K CA 1.805 58.108 56.287 0.027 0.000 0.926 686 K CB -0.466 32.177 32.500 0.239 0.000 0.713 686 K HN 0.426 nan 8.250 nan 0.000 0.444 687 I N 0.806 121.425 120.570 0.081 0.000 2.076 687 I HA -0.288 3.881 4.170 -0.002 0.000 0.237 687 I C 2.166 178.366 176.117 0.139 0.000 1.059 687 I CA 1.197 62.588 61.300 0.150 0.000 1.317 687 I CB -0.498 37.403 38.000 -0.165 0.000 1.037 687 I HN -0.087 nan 8.210 nan 0.000 0.398 688 V N 0.731 120.663 119.914 0.030 0.000 2.944 688 V HA -0.266 3.853 4.120 -0.002 0.000 0.265 688 V C 2.213 178.305 176.094 -0.003 0.000 1.125 688 V CA 1.680 63.995 62.300 0.025 0.000 1.145 688 V CB -0.899 30.921 31.823 -0.005 0.000 0.725 688 V HN 0.449 nan 8.190 nan 0.000 0.510 689 E N -1.486 118.676 120.200 -0.063 0.000 2.216 689 E HA -0.074 4.274 4.350 -0.002 0.000 0.192 689 E C 2.014 178.487 176.600 -0.211 0.000 0.973 689 E CA 0.669 56.959 56.400 -0.183 0.000 0.851 689 E CB 0.013 29.523 29.700 -0.318 0.000 0.804 689 E HN 0.706 nan 8.360 nan 0.000 0.477 690 Y N 0.818 121.133 120.300 0.026 0.000 2.243 690 Y HA -0.049 4.500 4.550 -0.002 0.000 0.293 690 Y C 2.166 178.108 175.900 0.070 0.000 1.124 690 Y CA 0.659 58.766 58.100 0.011 0.000 1.159 690 Y CB -0.279 38.253 38.460 0.120 0.000 1.008 690 Y HN -0.044 nan 8.280 nan 0.000 0.527 691 L N -0.109 121.298 121.223 0.306 0.000 2.349 691 L HA -0.263 4.076 4.340 -0.002 0.000 0.220 691 L C 1.903 178.884 176.870 0.185 0.000 1.130 691 L CA 1.349 56.358 54.840 0.281 0.000 0.791 691 L CB -0.427 41.754 42.059 0.202 0.000 0.918 691 L HN 0.373 nan 8.230 nan 0.000 0.444 692 Q N -1.024 118.829 119.800 0.089 0.000 2.339 692 Q HA -0.050 4.289 4.340 -0.002 0.000 0.205 692 Q C 2.320 178.318 176.000 -0.004 0.000 0.925 692 Q CA 1.032 56.856 55.803 0.034 0.000 0.898 692 Q CB 0.251 28.982 28.738 -0.011 0.000 1.013 692 Q HN 0.544 nan 8.270 nan 0.000 0.504 693 S N -0.465 115.188 115.700 -0.080 0.000 2.507 693 S HA -0.095 4.374 4.470 -0.002 0.000 0.235 693 S C 0.734 175.191 174.600 -0.238 0.000 0.988 693 S CA 0.593 58.670 58.200 -0.204 0.000 0.944 693 S CB -0.103 62.903 63.200 -0.323 0.000 0.762 693 S HN 0.316 nan 8.310 nan 0.000 0.526 694 Y N 1.913 122.256 120.300 0.072 0.000 2.708 694 Y HA 0.318 4.866 4.550 -0.002 0.000 0.287 694 Y C 0.220 176.146 175.900 0.044 0.000 1.145 694 Y CA -1.673 56.465 58.100 0.062 0.000 1.249 694 Y CB -0.553 37.953 38.460 0.076 0.000 1.152 694 Y HN 0.140 nan 8.280 nan 0.000 0.532 695 D N 0.843 121.328 120.400 0.141 0.000 2.782 695 D HA -0.252 4.387 4.640 -0.002 0.000 0.231 695 D C -0.297 176.059 176.300 0.093 0.000 1.163 695 D CA 0.976 55.030 54.000 0.090 0.000 0.680 695 D CB -0.534 40.310 40.800 0.074 0.000 1.062 695 D HN 0.541 nan 8.370 nan 0.000 0.425 696 E N 0.087 120.360 120.200 0.121 0.000 2.174 696 E HA 0.243 4.591 4.350 -0.002 0.000 0.282 696 E C 0.653 177.295 176.600 0.070 0.000 0.992 696 E CA -0.839 55.621 56.400 0.100 0.000 0.803 696 E CB 1.223 31.004 29.700 0.134 0.000 1.090 696 E HN 0.045 nan 8.360 nan 0.000 0.396 697 I N 3.124 123.720 120.570 0.044 0.000 2.436 697 I HA 0.036 4.205 4.170 -0.002 0.000 0.289 697 I C 0.699 176.840 176.117 0.039 0.000 1.083 697 I CA 0.390 61.707 61.300 0.028 0.000 1.372 697 I CB 0.048 38.052 38.000 0.007 0.000 1.408 697 I HN 0.361 nan 8.210 nan 0.000 0.516 698 T N 5.390 119.970 114.554 0.043 0.000 2.841 698 T HA 0.778 5.127 4.350 -0.002 0.000 0.283 698 T C -0.351 174.375 174.700 0.044 0.000 1.000 698 T CA -0.575 61.557 62.100 0.053 0.000 0.977 698 T CB 1.400 70.312 68.868 0.073 0.000 0.979 698 T HN 0.692 nan 8.240 nan 0.000 0.446 699 A N 4.601 127.452 122.820 0.051 0.000 2.310 699 A HA 0.819 5.137 4.320 -0.002 0.000 0.299 699 A C -0.278 177.340 177.584 0.056 0.000 1.147 699 A CA -0.689 51.377 52.037 0.048 0.000 0.818 699 A CB 0.682 19.715 19.000 0.055 0.000 1.096 699 A HN 0.845 nan 8.150 nan 0.000 0.495 700 M N 1.375 121.001 119.600 0.043 0.000 2.501 700 M HA 0.640 5.118 4.480 -0.002 0.000 0.293 700 M C -0.694 175.628 176.300 0.036 0.000 1.192 700 M CA -0.092 55.230 55.300 0.038 0.000 0.886 700 M CB 2.320 34.931 32.600 0.018 0.000 1.710 700 M HN 0.731 nan 8.290 nan 0.000 0.457 701 T N 2.455 117.031 114.554 0.037 0.000 3.011 701 T HA 0.857 5.206 4.350 -0.002 0.000 0.303 701 T C -0.802 173.913 174.700 0.025 0.000 0.997 701 T CA -0.009 62.114 62.100 0.037 0.000 1.007 701 T CB 0.628 69.534 68.868 0.062 0.000 1.017 701 T HN 0.975 nan 8.240 nan 0.000 0.443 702 G N 2.381 111.190 108.800 0.015 0.000 3.105 702 G HA2 0.621 4.579 3.960 -0.002 0.000 0.277 702 G HA3 0.621 4.579 3.960 -0.002 0.000 0.277 702 G C -0.397 174.508 174.900 0.009 0.000 1.375 702 G CA -0.326 44.777 45.100 0.006 0.000 0.962 702 G HN 0.647 nan 8.290 nan 0.000 0.541 703 D N -2.335 118.066 120.400 0.002 0.000 2.267 703 D HA 0.251 4.889 4.640 -0.002 0.000 0.297 703 D C 0.985 177.286 176.300 0.002 0.000 1.087 703 D CA 0.689 54.693 54.000 0.008 0.000 0.864 703 D CB 0.289 41.096 40.800 0.012 0.000 1.557 703 D HN 0.778 nan 8.370 nan 0.000 0.523 704 G N 0.100 108.890 108.800 -0.016 0.000 2.600 704 G HA2 0.446 4.404 3.960 -0.002 0.000 0.303 704 G HA3 0.446 4.404 3.960 -0.002 0.000 0.303 704 G C 0.933 175.796 174.900 -0.061 0.000 1.253 704 G CA -0.379 44.700 45.100 -0.034 0.000 0.974 704 G HN -0.071 nan 8.290 nan 0.000 0.483 705 V N 0.953 120.807 119.914 -0.100 0.000 2.353 705 V HA -0.332 3.786 4.120 -0.002 0.000 0.260 705 V C 2.768 178.792 176.094 -0.117 0.000 1.091 705 V CA 2.739 64.959 62.300 -0.133 0.000 1.088 705 V CB -0.733 30.929 31.823 -0.268 0.000 0.672 705 V HN 0.865 nan 8.190 nan 0.000 0.455 706 N N 0.021 118.646 118.700 -0.125 0.000 2.331 706 N HA -0.132 4.606 4.740 -0.002 0.000 0.180 706 N C 1.193 176.651 175.510 -0.086 0.000 1.019 706 N CA 1.568 54.547 53.050 -0.118 0.000 0.881 706 N CB -0.525 37.883 38.487 -0.132 0.000 0.972 706 N HN 0.505 nan 8.380 nan 0.000 0.435 707 D N 0.424 120.784 120.400 -0.066 0.000 2.305 707 D HA 0.126 4.765 4.640 -0.002 0.000 0.206 707 D C 1.819 178.096 176.300 -0.039 0.000 0.974 707 D CA 0.696 54.668 54.000 -0.048 0.000 0.871 707 D CB -0.148 40.633 40.800 -0.032 0.000 0.947 707 D HN 0.339 nan 8.370 nan 0.000 0.516 708 A N 2.880 125.677 122.820 -0.038 0.000 1.869 708 A HA -0.184 4.134 4.320 -0.002 0.000 0.218 708 A C -0.036 177.531 177.584 -0.029 0.000 1.203 708 A CA 1.966 53.987 52.037 -0.026 0.000 0.638 708 A CB -1.831 17.155 19.000 -0.023 0.000 0.831 708 A HN 0.204 nan 8.150 nan 0.000 0.450 709 P HA -0.245 nan 4.420 nan 0.000 0.218 709 P C 1.364 178.642 177.300 -0.037 0.000 1.147 709 P CA 2.391 65.468 63.100 -0.039 0.000 0.827 709 P CB -0.119 31.551 31.700 -0.050 0.000 0.778 710 A N 0.067 122.865 122.820 -0.037 0.000 1.864 710 A HA 0.033 4.351 4.320 -0.002 0.000 0.213 710 A C 2.455 180.026 177.584 -0.021 0.000 1.266 710 A CA 0.563 52.581 52.037 -0.033 0.000 0.612 710 A CB -1.401 17.576 19.000 -0.038 0.000 0.940 710 A HN 0.048 nan 8.150 nan 0.000 0.463 711 L N -0.019 121.195 121.223 -0.016 0.000 2.151 711 L HA -0.361 3.978 4.340 -0.002 0.000 0.219 711 L C 2.609 179.475 176.870 -0.006 0.000 1.083 711 L CA 2.301 57.137 54.840 -0.007 0.000 0.782 711 L CB -0.500 41.556 42.059 -0.004 0.000 0.891 711 L HN 0.553 nan 8.230 nan 0.000 0.439 712 K N 1.159 121.552 120.400 -0.011 0.000 1.973 712 K HA -0.212 4.106 4.320 -0.002 0.000 0.210 712 K C 2.131 178.725 176.600 -0.011 0.000 1.045 712 K CA 1.792 58.073 56.287 -0.010 0.000 0.937 712 K CB -0.082 32.410 32.500 -0.013 0.000 0.721 712 K HN 0.308 nan 8.250 nan 0.000 0.438 713 K N 0.281 120.671 120.400 -0.016 0.000 2.442 713 K HA 0.039 4.357 4.320 -0.002 0.000 0.198 713 K C 0.197 176.789 176.600 -0.012 0.000 1.042 713 K CA 0.650 56.926 56.287 -0.018 0.000 0.958 713 K CB -0.087 32.396 32.500 -0.027 0.000 0.766 713 K HN 0.129 nan 8.250 nan 0.000 0.474 714 A N 1.679 124.495 122.820 -0.007 0.000 2.407 714 A HA 0.107 4.426 4.320 -0.002 0.000 0.248 714 A C 0.394 177.980 177.584 0.003 0.000 1.082 714 A CA -0.480 51.558 52.037 0.002 0.000 0.785 714 A CB 0.527 19.531 19.000 0.008 0.000 1.020 714 A HN 0.325 nan 8.150 nan 0.000 0.489 715 E N 0.615 120.820 120.200 0.007 0.000 2.049 715 E HA -0.133 4.215 4.350 -0.002 0.000 0.198 715 E C 0.181 176.782 176.600 0.003 0.000 1.007 715 E CA 1.483 57.885 56.400 0.004 0.000 0.809 715 E CB -0.038 29.665 29.700 0.006 0.000 0.749 715 E HN 0.535 nan 8.360 nan 0.000 0.450 716 I N 0.583 121.158 120.570 0.008 0.000 2.466 716 I HA 0.309 4.478 4.170 -0.002 0.000 0.279 716 I C 0.180 176.305 176.117 0.012 0.000 1.033 716 I CA -0.383 60.921 61.300 0.007 0.000 1.123 716 I CB 1.027 39.031 38.000 0.006 0.000 1.237 716 I HN -0.073 nan 8.210 nan 0.000 0.460 717 G N 7.141 115.946 108.800 0.009 0.000 2.353 717 G HA2 0.649 4.607 3.960 -0.002 0.000 0.284 717 G HA3 0.649 4.607 3.960 -0.002 0.000 0.284 717 G C -0.379 174.528 174.900 0.013 0.000 1.172 717 G CA -0.321 44.786 45.100 0.011 0.000 0.854 717 G HN 0.510 nan 8.290 nan 0.000 0.485 718 I N 2.169 122.750 120.570 0.019 0.000 2.382 718 I HA 0.438 4.606 4.170 -0.002 0.000 0.286 718 I C 0.508 176.638 176.117 0.022 0.000 1.002 718 I CA -0.628 60.684 61.300 0.020 0.000 1.135 718 I CB 1.781 39.797 38.000 0.027 0.000 1.288 718 I HN 0.525 nan 8.210 nan 0.000 0.448 719 A N 7.693 130.524 122.820 0.018 0.000 2.312 719 A HA 0.771 5.089 4.320 -0.002 0.000 0.328 719 A C -0.022 177.575 177.584 0.021 0.000 1.158 719 A CA -0.704 51.344 52.037 0.018 0.000 0.821 719 A CB 0.926 19.936 19.000 0.015 0.000 1.170 719 A HN 0.593 nan 8.150 nan 0.000 0.490 720 M N 1.844 121.458 119.600 0.023 0.000 2.238 720 M HA 0.143 4.622 4.480 -0.002 0.000 0.347 720 M C 1.551 177.864 176.300 0.021 0.000 1.173 720 M CA 0.192 55.507 55.300 0.025 0.000 1.147 720 M CB 0.489 33.106 32.600 0.028 0.000 1.547 720 M HN 0.893 nan 8.290 nan 0.000 0.455 721 G N 1.082 109.894 108.800 0.020 0.000 2.448 721 G HA2 -0.094 3.864 3.960 -0.002 0.000 0.218 721 G HA3 -0.094 3.864 3.960 -0.002 0.000 0.218 721 G C 0.899 175.809 174.900 0.018 0.000 1.135 721 G CA 0.651 45.761 45.100 0.016 0.000 0.784 721 G HN 0.734 nan 8.290 nan 0.000 0.543 722 S N 0.017 115.730 115.700 0.021 0.000 2.526 722 S HA 0.576 5.045 4.470 -0.002 0.000 0.247 722 S C 0.731 175.346 174.600 0.025 0.000 1.076 722 S CA -0.128 58.086 58.200 0.023 0.000 1.105 722 S CB 0.669 63.884 63.200 0.025 0.000 0.793 722 S HN 0.420 nan 8.310 nan 0.000 0.458 723 G N 0.983 109.798 108.800 0.025 0.000 2.667 723 G HA2 0.604 4.562 3.960 -0.002 0.000 0.310 723 G HA3 0.604 4.562 3.960 -0.002 0.000 0.310 723 G C -0.419 174.501 174.900 0.033 0.000 1.259 723 G CA -0.641 44.475 45.100 0.026 0.000 1.019 723 G HN 0.396 nan 8.290 nan 0.000 0.496 724 T N -1.823 112.756 114.554 0.041 0.000 2.780 724 T HA 0.482 4.830 4.350 -0.002 0.000 0.294 724 T C 1.695 176.437 174.700 0.069 0.000 0.949 724 T CA 0.592 62.732 62.100 0.067 0.000 1.074 724 T CB 1.371 70.295 68.868 0.095 0.000 0.910 724 T HN 1.280 nan 8.240 nan 0.000 0.501 725 A N 4.336 127.194 122.820 0.063 0.000 1.899 725 A HA -0.202 4.116 4.320 -0.002 0.000 0.230 725 A C 2.345 179.962 177.584 0.056 0.000 1.593 725 A CA 2.706 54.769 52.037 0.043 0.000 0.728 725 A CB -1.695 17.316 19.000 0.019 0.000 0.848 725 A HN 0.908 nan 8.150 nan 0.000 0.490 726 V N -0.569 119.408 119.914 0.104 0.000 2.215 726 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 726 V C 3.053 179.179 176.094 0.054 0.000 1.054 726 V CA 2.954 65.315 62.300 0.102 0.000 1.012 726 V CB -1.615 30.312 31.823 0.173 0.000 0.639 726 V HN 0.837 nan 8.190 nan 0.000 0.448 727 A N -0.473 122.373 122.820 0.043 0.000 1.881 727 A HA -0.377 3.941 4.320 -0.002 0.000 0.219 727 A C 2.224 179.820 177.584 0.019 0.000 1.215 727 A CA 2.819 54.868 52.037 0.020 0.000 0.648 727 A CB -0.742 18.266 19.000 0.014 0.000 0.832 727 A HN 0.608 nan 8.150 nan 0.000 0.455 728 K N -1.119 119.295 120.400 0.022 0.000 2.015 728 K HA -0.180 4.139 4.320 -0.002 0.000 0.216 728 K C 2.010 178.617 176.600 0.013 0.000 1.052 728 K CA 2.042 58.339 56.287 0.016 0.000 0.937 728 K CB -0.698 31.812 32.500 0.016 0.000 0.719 728 K HN 0.724 nan 8.250 nan 0.000 0.446 729 T N -1.695 112.867 114.554 0.014 0.000 3.440 729 T HA 0.082 4.431 4.350 -0.002 0.000 0.260 729 T C 1.108 175.813 174.700 0.009 0.000 1.188 729 T CA 0.748 62.854 62.100 0.009 0.000 1.020 729 T CB -0.008 68.865 68.868 0.008 0.000 0.963 729 T HN 0.253 nan 8.240 nan 0.000 0.556 730 A N 0.962 123.787 122.820 0.009 0.000 2.074 730 A HA 0.479 4.798 4.320 -0.002 0.000 0.200 730 A C 1.453 179.039 177.584 0.003 0.000 1.335 730 A CA 0.315 52.355 52.037 0.005 0.000 0.922 730 A CB -0.008 18.994 19.000 0.005 0.000 0.972 730 A HN 0.670 nan 8.150 nan 0.000 0.475 731 S N 0.020 115.723 115.700 0.006 0.000 2.624 731 S HA 0.361 4.830 4.470 -0.002 0.000 0.263 731 S C 0.212 174.815 174.600 0.005 0.000 1.287 731 S CA 0.180 58.383 58.200 0.006 0.000 0.990 731 S CB 1.027 64.232 63.200 0.009 0.000 0.950 731 S HN 0.215 nan 8.310 nan 0.000 0.561 732 E N -0.069 120.134 120.200 0.005 0.000 2.474 732 E HA 0.365 4.713 4.350 -0.002 0.000 0.195 732 E C 0.101 176.704 176.600 0.005 0.000 1.039 732 E CA 0.069 56.472 56.400 0.004 0.000 0.881 732 E CB 0.327 30.029 29.700 0.003 0.000 0.970 732 E HN 0.671 nan 8.360 nan 0.000 0.486 733 M N -0.072 119.531 119.600 0.005 0.000 2.534 733 M HA 0.416 4.894 4.480 -0.002 0.000 0.280 733 M C -1.946 174.358 176.300 0.005 0.000 1.217 733 M CA -0.821 54.482 55.300 0.004 0.000 0.893 733 M CB 1.762 34.362 32.600 0.000 0.000 1.730 733 M HN -0.242 nan 8.290 nan 0.000 0.483 734 V N 3.973 123.889 119.914 0.005 0.000 2.709 734 V HA 0.523 4.642 4.120 -0.002 0.000 0.308 734 V C -0.823 175.273 176.094 0.005 0.000 1.062 734 V CA -0.721 61.584 62.300 0.007 0.000 0.901 734 V CB 1.960 33.788 31.823 0.008 0.000 1.003 734 V HN 0.802 nan 8.190 nan 0.000 0.425 735 L N 3.341 124.569 121.223 0.008 0.000 2.262 735 L HA 0.528 4.867 4.340 -0.002 0.000 0.288 735 L C 1.361 178.237 176.870 0.010 0.000 1.035 735 L CA -0.386 54.457 54.840 0.006 0.000 0.820 735 L CB 1.399 43.464 42.059 0.010 0.000 1.204 735 L HN 0.833 nan 8.230 nan 0.000 0.424 736 A N 2.708 125.532 122.820 0.006 0.000 1.930 736 A HA -0.153 4.165 4.320 -0.002 0.000 0.217 736 A C 1.650 179.240 177.584 0.010 0.000 1.175 736 A CA 1.600 53.642 52.037 0.008 0.000 0.627 736 A CB -0.212 18.791 19.000 0.005 0.000 0.815 736 A HN 0.872 nan 8.150 nan 0.000 0.443 737 D N -1.825 118.581 120.400 0.010 0.000 2.339 737 D HA 0.049 4.688 4.640 -0.002 0.000 0.217 737 D C -0.354 175.960 176.300 0.022 0.000 1.050 737 D CA 0.854 54.862 54.000 0.013 0.000 0.856 737 D CB -0.345 40.460 40.800 0.009 0.000 0.922 737 D HN 0.323 nan 8.370 nan 0.000 0.518 738 D N -0.103 120.312 120.400 0.025 0.000 2.955 738 D HA -0.236 4.403 4.640 -0.002 0.000 0.205 738 D C 0.168 176.503 176.300 0.057 0.000 1.104 738 D CA 0.943 54.966 54.000 0.039 0.000 1.005 738 D CB -1.605 39.219 40.800 0.041 0.000 1.123 738 D HN 0.328 nan 8.370 nan 0.000 0.407 739 N N 0.026 118.754 118.700 0.046 0.000 2.440 739 N HA -0.026 4.712 4.740 -0.002 0.000 0.265 739 N C 0.979 176.540 175.510 0.084 0.000 1.239 739 N CA 0.090 53.181 53.050 0.068 0.000 0.909 739 N CB 0.163 38.673 38.487 0.038 0.000 1.066 739 N HN 0.082 nan 8.380 nan 0.000 0.474 740 F N 4.661 124.613 119.950 0.005 0.000 2.043 740 F HA -0.341 4.185 4.527 -0.002 0.000 0.297 740 F C 2.486 178.287 175.800 0.003 0.000 1.118 740 F CA 2.522 60.524 58.000 0.004 0.000 1.202 740 F CB -0.961 38.040 39.000 0.002 0.000 0.965 740 F HN 0.660 nan 8.300 nan 0.000 0.482 741 S N -0.635 114.934 115.700 -0.219 0.000 2.399 741 S HA -0.353 4.116 4.470 -0.002 0.000 0.235 741 S C 1.988 176.409 174.600 -0.298 0.000 1.063 741 S CA 2.244 60.253 58.200 -0.320 0.000 1.070 741 S CB -1.782 61.383 63.200 -0.059 0.000 0.904 741 S HN 0.582 nan 8.310 nan 0.000 0.456 742 T N 2.461 116.913 114.554 -0.170 0.000 2.822 742 T HA -0.021 4.327 4.350 -0.002 0.000 0.270 742 T C 1.620 176.220 174.700 -0.166 0.000 1.064 742 T CA 1.601 63.627 62.100 -0.123 0.000 1.131 742 T CB -0.553 68.277 68.868 -0.063 0.000 0.858 742 T HN 0.480 nan 8.240 nan 0.000 0.483 743 I N 0.554 120.964 120.570 -0.266 0.000 2.163 743 I HA -0.153 4.016 4.170 -0.002 0.000 0.240 743 I C 2.446 178.402 176.117 -0.269 0.000 1.081 743 I CA 1.066 62.212 61.300 -0.256 0.000 1.353 743 I CB -0.478 37.333 38.000 -0.315 0.000 1.054 743 I HN 0.122 nan 8.210 nan 0.000 0.407 744 V N 1.245 120.909 119.914 -0.418 0.000 2.295 744 V HA -0.288 3.830 4.120 -0.002 0.000 0.246 744 V C 2.767 178.770 176.094 -0.152 0.000 1.049 744 V CA 1.934 64.068 62.300 -0.276 0.000 1.024 744 V CB -1.253 30.386 31.823 -0.307 0.000 0.648 744 V HN 0.488 nan 8.190 nan 0.000 0.447 745 A N 0.227 122.960 122.820 -0.144 0.000 1.940 745 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 745 A C 2.413 179.960 177.584 -0.062 0.000 1.176 745 A CA 2.298 54.286 52.037 -0.083 0.000 0.631 745 A CB -0.790 18.166 19.000 -0.073 0.000 0.814 745 A HN 0.609 nan 8.150 nan 0.000 0.446 746 A N -0.622 122.153 122.820 -0.074 0.000 1.930 746 A HA 0.056 4.374 4.320 -0.002 0.000 0.217 746 A C 2.062 179.623 177.584 -0.038 0.000 1.175 746 A CA 1.573 53.582 52.037 -0.048 0.000 0.627 746 A CB -0.764 18.205 19.000 -0.051 0.000 0.815 746 A HN 0.478 nan 8.150 nan 0.000 0.443 747 V N -0.106 119.775 119.914 -0.054 0.000 2.913 747 V HA -0.193 3.925 4.120 -0.002 0.000 0.260 747 V C 2.173 178.257 176.094 -0.018 0.000 1.098 747 V CA 1.945 64.224 62.300 -0.035 0.000 1.121 747 V CB -0.736 31.060 31.823 -0.044 0.000 0.714 747 V HN 0.638 nan 8.190 nan 0.000 0.487 748 E N -0.012 120.176 120.200 -0.020 0.000 2.011 748 E HA -0.135 4.213 4.350 -0.002 0.000 0.191 748 E C 2.359 178.968 176.600 0.015 0.000 0.980 748 E CA 0.652 57.051 56.400 -0.003 0.000 0.814 748 E CB -0.042 29.652 29.700 -0.009 0.000 0.775 748 E HN 0.395 nan 8.360 nan 0.000 0.454 749 E N 0.098 120.306 120.200 0.013 0.000 2.169 749 E HA -0.219 4.129 4.350 -0.002 0.000 0.202 749 E C 2.004 178.630 176.600 0.045 0.000 1.016 749 E CA 1.248 57.665 56.400 0.029 0.000 0.817 749 E CB -0.688 29.025 29.700 0.022 0.000 0.736 749 E HN 0.423 nan 8.360 nan 0.000 0.462 750 G N 0.938 109.757 108.800 0.032 0.000 2.469 750 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.220 750 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.220 750 G C 1.717 176.658 174.900 0.068 0.000 1.136 750 G CA 1.006 46.130 45.100 0.040 0.000 0.759 750 G HN 0.234 nan 8.290 nan 0.000 0.562 751 R N 0.248 120.786 120.500 0.064 0.000 2.052 751 R HA 0.267 4.606 4.340 -0.002 0.000 0.224 751 R C 3.107 179.476 176.300 0.116 0.000 1.149 751 R CA 0.742 56.899 56.100 0.095 0.000 0.962 751 R CB -0.605 29.733 30.300 0.064 0.000 0.856 751 R HN 0.281 nan 8.270 nan 0.000 0.433 752 A N 2.559 125.427 122.820 0.079 0.000 1.863 752 A HA -0.256 4.063 4.320 -0.002 0.000 0.218 752 A C 2.108 179.744 177.584 0.087 0.000 1.233 752 A CA 1.873 53.954 52.037 0.074 0.000 0.655 752 A CB -0.839 18.200 19.000 0.064 0.000 0.839 752 A HN 0.160 nan 8.150 nan 0.000 0.454 753 I N -1.653 118.977 120.570 0.100 0.000 2.093 753 I HA -0.316 3.853 4.170 -0.002 0.000 0.239 753 I C 2.417 178.590 176.117 0.092 0.000 1.026 753 I CA 2.432 63.801 61.300 0.115 0.000 1.295 753 I CB -1.815 36.258 38.000 0.121 0.000 1.007 753 I HN 0.607 nan 8.210 nan 0.000 0.401 754 Y N 2.231 122.532 120.300 0.002 0.000 2.483 754 Y HA -0.203 4.345 4.550 -0.002 0.000 0.291 754 Y C 2.322 178.187 175.900 -0.059 0.000 1.143 754 Y CA 1.415 59.491 58.100 -0.040 0.000 1.289 754 Y CB -0.308 38.134 38.460 -0.031 0.000 0.983 754 Y HN 0.284 nan 8.280 nan 0.000 0.556 755 N N 0.092 118.727 118.700 -0.109 0.000 2.173 755 N HA -0.149 4.590 4.740 -0.002 0.000 0.184 755 N C 1.340 176.733 175.510 -0.195 0.000 1.025 755 N CA 1.263 54.220 53.050 -0.155 0.000 0.852 755 N CB -0.441 38.035 38.487 -0.019 0.000 0.998 755 N HN 0.385 nan 8.380 nan 0.000 0.427 756 N N 1.528 120.172 118.700 -0.092 0.000 2.051 756 N HA -0.100 4.639 4.740 -0.002 0.000 0.192 756 N C 1.815 177.200 175.510 -0.208 0.000 1.049 756 N CA 0.648 53.683 53.050 -0.026 0.000 0.845 756 N CB -0.624 37.937 38.487 0.122 0.000 1.031 756 N HN 0.208 nan 8.380 nan 0.000 0.425 757 M N 1.587 121.027 119.600 -0.267 0.000 2.405 757 M HA -0.387 4.092 4.480 -0.002 0.000 0.256 757 M C 2.084 177.663 176.300 -1.201 0.000 1.067 757 M CA 2.210 57.027 55.300 -0.805 0.000 1.073 757 M CB -0.233 32.148 32.600 -0.364 0.000 1.273 757 M HN 0.165 nan 8.290 nan 0.000 0.443 758 K N -0.388 119.469 120.400 -0.906 0.000 2.001 758 K HA -0.309 4.010 4.320 -0.002 0.000 0.223 758 K C 1.907 178.194 176.600 -0.520 0.000 1.055 758 K CA 2.410 58.213 56.287 -0.806 0.000 0.965 758 K CB -0.461 31.549 32.500 -0.817 0.000 0.730 758 K HN 0.494 nan 8.250 nan 0.000 0.449 759 Q N 0.281 119.877 119.800 -0.340 0.000 1.985 759 Q HA -0.198 4.141 4.340 -0.002 0.000 0.207 759 Q C 2.213 178.171 176.000 -0.071 0.000 0.996 759 Q CA 2.141 57.860 55.803 -0.141 0.000 0.851 759 Q CB -0.883 27.826 28.738 -0.049 0.000 0.921 759 Q HN 0.698 nan 8.270 nan 0.000 0.418 760 F N 0.203 120.122 119.950 -0.053 0.000 2.271 760 F HA -0.156 4.369 4.527 -0.002 0.000 0.302 760 F C 1.856 177.653 175.800 -0.005 0.000 1.063 760 F CA 0.751 58.755 58.000 0.006 0.000 1.362 760 F CB -0.924 38.052 39.000 -0.040 0.000 1.060 760 F HN -0.000 nan 8.300 nan 0.000 0.521 761 I N 0.723 121.144 120.570 -0.249 0.000 2.286 761 I HA -0.185 3.983 4.170 -0.002 0.000 0.245 761 I C 2.591 178.611 176.117 -0.162 0.000 1.104 761 I CA 1.116 62.301 61.300 -0.191 0.000 1.397 761 I CB -0.463 37.303 38.000 -0.390 0.000 1.072 761 I HN 0.056 nan 8.210 nan 0.000 0.417 762 R N -0.026 120.374 120.500 -0.167 0.000 2.096 762 R HA -0.233 4.106 4.340 -0.002 0.000 0.235 762 R C 2.365 178.474 176.300 -0.319 0.000 1.127 762 R CA 1.701 57.666 56.100 -0.225 0.000 0.968 762 R CB -0.818 29.441 30.300 -0.069 0.000 0.861 762 R HN 0.350 nan 8.270 nan 0.000 0.440 763 Y N 2.177 122.336 120.300 -0.235 0.000 2.049 763 Y HA -0.185 4.364 4.550 -0.002 0.000 0.277 763 Y C 1.875 177.655 175.900 -0.200 0.000 1.143 763 Y CA 1.437 59.421 58.100 -0.193 0.000 1.115 763 Y CB -0.594 37.837 38.460 -0.049 0.000 0.975 763 Y HN -0.094 nan 8.280 nan 0.000 0.487 764 L N -0.146 120.811 121.223 -0.443 0.000 2.265 764 L HA -0.204 4.135 4.340 -0.002 0.000 0.215 764 L C 2.335 178.992 176.870 -0.354 0.000 1.117 764 L CA 0.488 55.011 54.840 -0.529 0.000 0.782 764 L CB -0.566 41.295 42.059 -0.331 0.000 0.914 764 L HN 0.332 nan 8.230 nan 0.000 0.441 765 I N 0.117 120.491 120.570 -0.327 0.000 2.206 765 I HA -0.212 3.957 4.170 -0.002 0.000 0.239 765 I C 2.883 178.838 176.117 -0.270 0.000 1.078 765 I CA 1.759 62.886 61.300 -0.290 0.000 1.367 765 I CB -1.091 36.704 38.000 -0.340 0.000 1.078 765 I HN 0.338 nan 8.210 nan 0.000 0.413 766 S N 1.050 116.506 115.700 -0.407 0.000 2.380 766 S HA -0.281 4.187 4.470 -0.002 0.000 0.229 766 S C 2.270 176.759 174.600 -0.185 0.000 1.043 766 S CA 2.239 60.231 58.200 -0.348 0.000 1.038 766 S CB -1.156 61.666 63.200 -0.630 0.000 0.872 766 S HN 0.563 nan 8.310 nan 0.000 0.456 767 S N 2.951 118.524 115.700 -0.212 0.000 2.353 767 S HA -0.239 4.229 4.470 -0.002 0.000 0.222 767 S C 1.770 176.301 174.600 -0.115 0.000 1.035 767 S CA 1.680 59.789 58.200 -0.152 0.000 1.025 767 S CB -1.262 61.790 63.200 -0.247 0.000 0.902 767 S HN 0.636 nan 8.310 nan 0.000 0.440 768 N N 0.794 119.415 118.700 -0.131 0.000 2.205 768 N HA -0.054 4.685 4.740 -0.002 0.000 0.186 768 N C 1.623 177.107 175.510 -0.044 0.000 1.015 768 N CA 1.354 54.362 53.050 -0.070 0.000 0.862 768 N CB -0.462 37.999 38.487 -0.042 0.000 0.986 768 N HN 0.322 nan 8.380 nan 0.000 0.429 769 V N 0.122 120.000 119.914 -0.061 0.000 2.261 769 V HA -0.172 3.946 4.120 -0.002 0.000 0.246 769 V C 2.387 178.457 176.094 -0.039 0.000 1.047 769 V CA 2.129 64.396 62.300 -0.055 0.000 1.015 769 V CB -1.296 30.475 31.823 -0.087 0.000 0.642 769 V HN 0.431 nan 8.190 nan 0.000 0.446 770 G N -0.239 108.541 108.800 -0.033 0.000 2.491 770 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.218 770 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.218 770 G C 1.357 176.257 174.900 -0.000 0.000 1.180 770 G CA 1.219 46.314 45.100 -0.007 0.000 0.774 770 G HN 0.609 nan 8.290 nan 0.000 0.562 771 E N 0.000 120.196 120.200 -0.007 0.000 2.048 771 E HA -0.194 4.155 4.350 -0.002 0.000 0.202 771 E C 2.672 179.284 176.600 0.020 0.000 1.021 771 E CA 1.449 57.852 56.400 0.005 0.000 0.825 771 E CB -0.585 29.113 29.700 -0.003 0.000 0.756 771 E HN 0.253 nan 8.360 nan 0.000 0.454 772 V N 1.399 121.319 119.914 0.011 0.000 2.250 772 V HA -0.318 3.801 4.120 -0.002 0.000 0.253 772 V C 2.482 178.613 176.094 0.062 0.000 1.065 772 V CA 1.983 64.297 62.300 0.023 0.000 1.039 772 V CB -0.606 31.210 31.823 -0.011 0.000 0.647 772 V HN 0.161 nan 8.190 nan 0.000 0.446 773 V N -0.962 118.979 119.914 0.044 0.000 2.380 773 V HA -0.358 3.761 4.120 -0.002 0.000 0.251 773 V C 2.555 178.729 176.094 0.134 0.000 1.063 773 V CA 2.285 64.640 62.300 0.092 0.000 1.055 773 V CB -0.871 30.979 31.823 0.046 0.000 0.657 773 V HN 0.843 nan 8.190 nan 0.000 0.455 774 C N 0.227 119.573 119.300 0.076 0.000 2.413 774 C HA -0.168 4.291 4.460 -0.002 0.000 0.277 774 C C 2.581 177.616 174.990 0.075 0.000 1.228 774 C CA 1.122 60.177 59.018 0.061 0.000 1.731 774 C CB -0.994 26.768 27.740 0.037 0.000 2.042 774 C HN 0.533 nan 8.230 nan 0.000 0.468 775 I N 0.483 121.102 120.570 0.082 0.000 2.286 775 I HA -0.098 4.071 4.170 -0.002 0.000 0.248 775 I C 2.377 178.563 176.117 0.115 0.000 1.115 775 I CA 1.622 62.968 61.300 0.076 0.000 1.392 775 I CB -1.692 36.347 38.000 0.066 0.000 1.065 775 I HN 0.390 nan 8.210 nan 0.000 0.418 776 F N 2.250 122.204 119.950 0.006 0.000 2.069 776 F HA -0.230 4.296 4.527 -0.002 0.000 0.298 776 F C 2.365 178.180 175.800 0.024 0.000 1.113 776 F CA 1.761 59.768 58.000 0.012 0.000 1.214 776 F CB -0.558 38.445 39.000 0.005 0.000 0.978 776 F HN -0.097 nan 8.300 nan 0.000 0.474 777 L N -0.932 120.281 121.223 -0.016 0.000 1.994 777 L HA -0.231 4.108 4.340 -0.002 0.000 0.208 777 L C 2.458 179.267 176.870 -0.101 0.000 1.071 777 L CA 1.877 56.636 54.840 -0.135 0.000 0.745 777 L CB -1.520 40.539 42.059 0.001 0.000 0.892 777 L HN 0.114 nan 8.230 nan 0.000 0.431 778 T N -0.248 114.292 114.554 -0.023 0.000 2.721 778 T HA -0.264 4.085 4.350 -0.002 0.000 0.268 778 T C 1.792 176.510 174.700 0.029 0.000 1.038 778 T CA 1.718 63.819 62.100 0.002 0.000 1.145 778 T CB -0.081 68.796 68.868 0.015 0.000 0.858 778 T HN 0.503 nan 8.240 nan 0.000 0.459 779 A N 0.626 123.440 122.820 -0.011 0.000 1.861 779 A HA 0.456 4.774 4.320 -0.002 0.000 0.212 779 A C 2.613 180.204 177.584 0.011 0.000 1.199 779 A CA 1.348 53.416 52.037 0.051 0.000 0.613 779 A CB -1.119 17.884 19.000 0.005 0.000 0.846 779 A HN 0.485 nan 8.150 nan 0.000 0.446 780 A N -0.092 122.566 122.820 -0.270 0.000 1.978 780 A HA -0.050 4.269 4.320 -0.002 0.000 0.220 780 A C 1.978 179.469 177.584 -0.155 0.000 1.170 780 A CA 1.585 53.421 52.037 -0.335 0.000 0.636 780 A CB -0.597 17.937 19.000 -0.776 0.000 0.810 780 A HN 0.484 nan 8.150 nan 0.000 0.448 781 L N -2.307 118.847 121.223 -0.115 0.000 2.529 781 L HA 0.237 4.576 4.340 -0.002 0.000 0.223 781 L C 1.958 178.818 176.870 -0.016 0.000 1.113 781 L CA 0.558 55.356 54.840 -0.071 0.000 0.861 781 L CB -0.375 41.636 42.059 -0.079 0.000 1.012 781 L HN 0.559 nan 8.230 nan 0.000 0.461 782 G N 0.785 109.628 108.800 0.073 0.000 2.320 782 G HA2 -0.338 3.620 3.960 -0.002 0.000 0.242 782 G HA3 -0.338 3.620 3.960 -0.002 0.000 0.242 782 G C 0.296 175.307 174.900 0.185 0.000 1.033 782 G CA 0.205 45.381 45.100 0.127 0.000 0.620 782 G HN 0.222 nan 8.290 nan 0.000 0.517 783 L N 3.203 124.447 121.223 0.035 0.000 2.685 783 L HA 0.340 4.679 4.340 -0.002 0.000 0.305 783 L C -1.542 175.232 176.870 -0.159 0.000 1.258 783 L CA -0.064 54.722 54.840 -0.092 0.000 0.876 783 L CB -0.093 41.921 42.059 -0.076 0.000 1.124 783 L HN 0.161 nan 8.230 nan 0.000 0.507 784 P HA 0.042 nan 4.420 nan 0.000 0.269 784 P C -1.015 176.164 177.300 -0.202 0.000 1.215 784 P CA -0.226 62.481 63.100 -0.655 0.000 0.780 784 P CB 0.302 31.481 31.700 -0.867 0.000 0.898 785 E N 0.725 120.877 120.200 -0.080 0.000 2.608 785 E HA -0.061 4.288 4.350 -0.002 0.000 0.259 785 E C 0.763 177.364 176.600 0.002 0.000 0.951 785 E CA 0.193 56.589 56.400 -0.008 0.000 0.945 785 E CB 0.323 30.036 29.700 0.022 0.000 0.916 785 E HN 0.430 nan 8.360 nan 0.000 0.477 786 A N 4.848 127.680 122.820 0.020 0.000 1.973 786 A HA 0.164 4.482 4.320 -0.002 0.000 0.210 786 A C 0.508 178.119 177.584 0.045 0.000 1.200 786 A CA 0.432 52.495 52.037 0.043 0.000 0.707 786 A CB 0.463 19.491 19.000 0.046 0.000 0.862 786 A HN 0.476 nan 8.150 nan 0.000 0.461 787 L N 0.574 121.823 121.223 0.044 0.000 2.422 787 L HA 0.496 4.835 4.340 -0.002 0.000 0.264 787 L C -1.343 175.567 176.870 0.067 0.000 0.984 787 L CA -0.763 54.110 54.840 0.055 0.000 0.819 787 L CB 2.212 44.301 42.059 0.050 0.000 1.330 787 L HN 0.025 nan 8.230 nan 0.000 0.410 788 I N 2.896 123.524 120.570 0.097 0.000 2.412 788 I HA 0.313 4.482 4.170 -0.002 0.000 0.296 788 I C -1.520 174.681 176.117 0.140 0.000 0.987 788 I CA -2.424 58.945 61.300 0.114 0.000 1.180 788 I CB 1.747 39.828 38.000 0.135 0.000 1.340 788 I HN 0.295 nan 8.210 nan 0.000 0.455 789 P HA -0.192 nan 4.420 nan 0.000 0.217 789 P C 1.721 179.128 177.300 0.179 0.000 1.162 789 P CA 1.409 64.581 63.100 0.120 0.000 0.901 789 P CB 0.208 31.966 31.700 0.097 0.000 0.793 790 V N -1.081 118.959 119.914 0.209 0.000 2.660 790 V HA -0.280 3.839 4.120 -0.002 0.000 0.257 790 V C 2.248 178.714 176.094 0.620 0.000 1.088 790 V CA 1.797 64.276 62.300 0.299 0.000 1.106 790 V CB -1.366 30.540 31.823 0.138 0.000 0.686 790 V HN 0.243 nan 8.190 nan 0.000 0.481 791 Q N -0.200 119.895 119.800 0.492 0.000 2.019 791 Q HA 0.075 4.414 4.340 -0.002 0.000 0.195 791 Q C 2.310 178.434 176.000 0.206 0.000 0.981 791 Q CA 0.946 56.930 55.803 0.302 0.000 0.832 791 Q CB -0.319 28.519 28.738 0.166 0.000 0.902 791 Q HN 0.438 nan 8.270 nan 0.000 0.461 792 L N 1.069 122.382 121.223 0.151 0.000 2.151 792 L HA -0.315 4.024 4.340 -0.002 0.000 0.219 792 L C 2.382 179.311 176.870 0.099 0.000 1.083 792 L CA 1.194 56.093 54.840 0.097 0.000 0.782 792 L CB -0.834 41.270 42.059 0.074 0.000 0.891 792 L HN 0.289 nan 8.230 nan 0.000 0.439 793 L N -1.482 119.830 121.223 0.149 0.000 1.976 793 L HA -0.275 4.064 4.340 -0.002 0.000 0.209 793 L C 2.524 179.477 176.870 0.139 0.000 1.071 793 L CA 1.852 56.768 54.840 0.127 0.000 0.746 793 L CB -0.872 41.283 42.059 0.161 0.000 0.890 793 L HN 0.569 nan 8.230 nan 0.000 0.432 794 W N 1.277 122.608 121.300 0.051 0.000 2.290 794 W HA -0.276 4.383 4.660 -0.002 0.000 0.318 794 W C 2.175 178.679 176.519 -0.026 0.000 1.248 794 W CA 2.533 59.885 57.345 0.012 0.000 1.263 794 W CB -0.363 29.052 29.460 -0.076 0.000 1.147 794 W HN -0.016 nan 8.180 nan 0.000 0.494 795 V N 2.061 122.019 119.914 0.073 0.000 2.214 795 V HA -0.405 3.713 4.120 -0.002 0.000 0.245 795 V C 2.169 178.171 176.094 -0.154 0.000 1.047 795 V CA 2.497 64.772 62.300 -0.042 0.000 0.998 795 V CB -1.580 30.256 31.823 0.022 0.000 0.633 795 V HN 0.166 nan 8.190 nan 0.000 0.446 796 N N -0.101 118.534 118.700 -0.108 0.000 2.513 796 N HA -0.084 4.654 4.740 -0.002 0.000 0.187 796 N C 1.538 176.946 175.510 -0.170 0.000 1.056 796 N CA 1.149 54.117 53.050 -0.137 0.000 0.907 796 N CB -0.112 38.321 38.487 -0.091 0.000 0.954 796 N HN 0.476 nan 8.380 nan 0.000 0.445 797 L N -0.794 120.299 121.223 -0.216 0.000 2.433 797 L HA 0.095 4.434 4.340 -0.002 0.000 0.200 797 L C 1.643 178.288 176.870 -0.374 0.000 1.059 797 L CA 0.351 55.037 54.840 -0.257 0.000 0.835 797 L CB 0.330 42.256 42.059 -0.222 0.000 1.076 797 L HN -0.098 nan 8.230 nan 0.000 0.481 798 V N -1.777 117.779 119.914 -0.597 0.000 2.870 798 V HA -0.083 4.036 4.120 -0.002 0.000 0.232 798 V C 2.396 178.235 176.094 -0.426 0.000 1.161 798 V CA 1.287 63.197 62.300 -0.651 0.000 1.204 798 V CB -0.323 30.771 31.823 -1.215 0.000 1.003 798 V HN 0.449 nan 8.190 nan 0.000 0.499 799 T N -2.131 112.174 114.554 -0.416 0.000 2.977 799 T HA -0.192 4.156 4.350 -0.002 0.000 0.271 799 T C 1.267 175.916 174.700 -0.085 0.000 1.105 799 T CA 1.828 63.854 62.100 -0.122 0.000 1.116 799 T CB -0.274 68.612 68.868 0.031 0.000 0.878 799 T HN 0.367 nan 8.240 nan 0.000 0.509 800 D N 0.680 120.994 120.400 -0.144 0.000 2.380 800 D HA 0.226 4.865 4.640 -0.002 0.000 0.212 800 D C 2.285 178.528 176.300 -0.093 0.000 1.021 800 D CA 0.780 54.715 54.000 -0.108 0.000 0.884 800 D CB -0.333 40.342 40.800 -0.209 0.000 1.001 800 D HN 0.517 nan 8.370 nan 0.000 0.506 801 G N 1.235 109.936 108.800 -0.165 0.000 2.414 801 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.215 801 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.215 801 G C 1.705 176.504 174.900 -0.169 0.000 1.188 801 G CA 0.215 45.206 45.100 -0.182 0.000 0.783 801 G HN 0.231 nan 8.290 nan 0.000 0.537 802 L N 1.391 122.524 121.223 -0.150 0.000 2.263 802 L HA -0.073 4.266 4.340 -0.002 0.000 0.216 802 L C 0.048 176.847 176.870 -0.118 0.000 1.111 802 L CA 1.149 55.908 54.840 -0.135 0.000 0.773 802 L CB -1.021 40.983 42.059 -0.092 0.000 0.906 802 L HN 0.326 nan 8.230 nan 0.000 0.439 803 P HA 0.028 nan 4.420 nan 0.000 0.221 803 P C 1.461 178.701 177.300 -0.101 0.000 1.152 803 P CA 1.191 64.255 63.100 -0.060 0.000 0.851 803 P CB 0.367 32.072 31.700 0.009 0.000 0.833 804 A N 1.159 123.991 122.820 0.019 0.000 1.845 804 A HA -0.161 4.158 4.320 -0.002 0.000 0.215 804 A C 2.409 179.723 177.584 -0.451 0.000 1.195 804 A CA 2.990 55.003 52.037 -0.039 0.000 0.616 804 A CB -2.107 16.885 19.000 -0.013 0.000 0.832 804 A HN 0.352 nan 8.150 nan 0.000 0.443 805 T N -2.421 111.818 114.554 -0.525 0.000 3.051 805 T HA 0.241 4.590 4.350 -0.002 0.000 0.269 805 T C 1.528 175.757 174.700 -0.786 0.000 1.127 805 T CA 1.514 63.205 62.100 -0.681 0.000 1.107 805 T CB -0.245 68.325 68.868 -0.495 0.000 0.898 805 T HN 0.518 nan 8.240 nan 0.000 0.517 806 A N 0.815 123.272 122.820 -0.605 0.000 2.030 806 A HA 0.443 4.761 4.320 -0.002 0.000 0.215 806 A C 2.244 179.502 177.584 -0.542 0.000 1.164 806 A CA 0.202 51.833 52.037 -0.677 0.000 0.697 806 A CB -0.483 18.365 19.000 -0.253 0.000 0.827 806 A HN 0.530 nan 8.150 nan 0.000 0.457 807 L N -0.260 120.760 121.223 -0.338 0.000 2.265 807 L HA -0.115 4.224 4.340 -0.002 0.000 0.215 807 L C 2.542 179.372 176.870 -0.067 0.000 1.117 807 L CA 0.777 55.537 54.840 -0.134 0.000 0.782 807 L CB -0.465 41.571 42.059 -0.038 0.000 0.914 807 L HN 0.496 nan 8.230 nan 0.000 0.441 808 G N -0.420 108.221 108.800 -0.264 0.000 2.535 808 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.218 808 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.218 808 G C 0.950 176.007 174.900 0.263 0.000 1.122 808 G CA 0.236 45.334 45.100 -0.004 0.000 0.769 808 G HN 0.306 nan 8.290 nan 0.000 0.549 809 F N 0.268 120.270 119.950 0.087 0.000 2.664 809 F HA 0.315 4.840 4.527 -0.002 0.000 0.303 809 F C 0.393 176.275 175.800 0.136 0.000 1.092 809 F CA -1.982 56.095 58.000 0.128 0.000 1.305 809 F CB -0.946 38.181 39.000 0.211 0.000 1.054 809 F HN -0.115 nan 8.300 nan 0.000 0.565 810 N N 3.780 122.625 118.700 0.242 0.000 2.332 810 N HA -0.025 4.714 4.740 -0.002 0.000 0.274 810 N C -2.486 173.101 175.510 0.128 0.000 1.351 810 N CA -0.696 52.443 53.050 0.148 0.000 0.875 810 N CB -0.279 38.257 38.487 0.082 0.000 1.140 810 N HN -0.096 nan 8.380 nan 0.000 0.489 811 P HA -0.107 nan 4.420 nan 0.000 0.255 811 P C -2.159 175.176 177.300 0.059 0.000 1.132 811 P CA -0.237 62.910 63.100 0.078 0.000 0.766 811 P CB -0.251 31.479 31.700 0.050 0.000 0.715 812 P HA -0.003 nan 4.420 nan 0.000 0.264 812 P C 0.120 177.439 177.300 0.032 0.000 1.193 812 P CA 0.413 63.541 63.100 0.047 0.000 0.763 812 P CB 0.373 32.101 31.700 0.047 0.000 0.810 813 D N 1.572 121.989 120.400 0.027 0.000 2.406 813 D HA -0.043 4.596 4.640 -0.002 0.000 0.234 813 D C 1.385 177.696 176.300 0.017 0.000 1.196 813 D CA 0.375 54.387 54.000 0.019 0.000 0.881 813 D CB 0.723 41.534 40.800 0.018 0.000 1.205 813 D HN 0.304 nan 8.370 nan 0.000 0.453 814 L N 0.785 122.015 121.223 0.012 0.000 2.375 814 L HA -0.052 4.287 4.340 -0.002 0.000 0.215 814 L C 1.611 178.486 176.870 0.010 0.000 1.108 814 L CA 0.491 55.337 54.840 0.010 0.000 0.830 814 L CB -0.074 41.989 42.059 0.006 0.000 0.959 814 L HN 0.382 nan 8.230 nan 0.000 0.457 815 D N 0.125 120.531 120.400 0.010 0.000 2.342 815 D HA -0.014 4.624 4.640 -0.002 0.000 0.221 815 D C 1.681 177.990 176.300 0.014 0.000 1.101 815 D CA -0.049 53.957 54.000 0.010 0.000 0.837 815 D CB -0.143 40.662 40.800 0.008 0.000 0.938 815 D HN 0.362 nan 8.370 nan 0.000 0.508 816 I N -0.381 120.199 120.570 0.017 0.000 2.065 816 I HA -0.313 3.856 4.170 -0.002 0.000 0.236 816 I C 1.855 177.983 176.117 0.018 0.000 1.028 816 I CA 1.186 62.499 61.300 0.022 0.000 1.299 816 I CB -0.842 37.173 38.000 0.025 0.000 1.015 816 I HN -0.056 nan 8.210 nan 0.000 0.396 817 M N 1.001 120.609 119.600 0.013 0.000 2.766 817 M HA 0.003 4.482 4.480 -0.002 0.000 0.208 817 M C 0.110 176.416 176.300 0.010 0.000 1.152 817 M CA 0.923 56.229 55.300 0.010 0.000 1.013 817 M CB -1.391 31.212 32.600 0.005 0.000 1.813 817 M HN 0.363 nan 8.290 nan 0.000 0.478 818 D N -0.069 120.338 120.400 0.011 0.000 2.563 818 D HA 0.218 4.856 4.640 -0.002 0.000 0.237 818 D C 0.133 176.439 176.300 0.010 0.000 1.282 818 D CA 0.094 54.100 54.000 0.009 0.000 0.816 818 D CB 1.262 42.067 40.800 0.008 0.000 1.066 818 D HN 0.276 nan 8.370 nan 0.000 0.501 819 R N 1.604 122.112 120.500 0.013 0.000 2.628 819 R HA 0.326 4.664 4.340 -0.002 0.000 0.288 819 R C -2.577 173.732 176.300 0.015 0.000 0.980 819 R CA -1.596 54.513 56.100 0.014 0.000 0.891 819 R CB 2.696 33.008 30.300 0.019 0.000 1.188 819 R HN -0.119 nan 8.270 nan 0.000 0.450 820 P HA -0.055 nan 4.420 nan 0.000 0.268 820 P C -2.456 174.852 177.300 0.014 0.000 1.189 820 P CA -0.671 62.436 63.100 0.012 0.000 0.771 820 P CB -0.189 31.518 31.700 0.012 0.000 0.822 821 P HA 0.055 nan 4.420 nan 0.000 0.268 821 P C 0.474 177.776 177.300 0.004 0.000 1.205 821 P CA 0.086 63.189 63.100 0.006 0.000 0.771 821 P CB 0.504 32.205 31.700 0.002 0.000 0.858 822 R N 2.035 122.535 120.500 0.000 0.000 2.862 822 R HA 0.043 4.382 4.340 -0.002 0.000 0.267 822 R C 0.377 176.668 176.300 -0.016 0.000 0.995 822 R CA 0.238 56.337 56.100 -0.001 0.000 1.140 822 R CB 0.044 30.337 30.300 -0.012 0.000 1.031 822 R HN 0.515 nan 8.270 nan 0.000 0.459 823 S N 0.964 116.661 115.700 -0.006 0.000 2.646 823 S HA 0.368 4.837 4.470 -0.002 0.000 0.276 823 S C -1.881 172.700 174.600 -0.032 0.000 1.222 823 S CA -1.787 56.409 58.200 -0.006 0.000 1.014 823 S CB 1.441 64.649 63.200 0.013 0.000 0.991 823 S HN 0.600 nan 8.310 nan 0.000 0.533 824 P HA 0.188 nan 4.420 nan 0.000 0.218 824 P C 0.782 178.070 177.300 -0.020 0.000 1.151 824 P CA 0.742 63.811 63.100 -0.051 0.000 0.850 824 P CB 0.122 31.800 31.700 -0.038 0.000 0.801 825 K N 0.215 120.616 120.400 0.002 0.000 2.280 825 K HA -0.101 4.218 4.320 -0.002 0.000 0.202 825 K C 0.892 177.510 176.600 0.030 0.000 1.047 825 K CA 0.366 56.664 56.287 0.018 0.000 0.942 825 K CB -0.286 32.227 32.500 0.022 0.000 0.739 825 K HN 0.282 nan 8.250 nan 0.000 0.457 826 E N 2.842 123.060 120.200 0.031 0.000 2.491 826 E HA -0.027 4.322 4.350 -0.002 0.000 0.250 826 E C -2.258 174.384 176.600 0.070 0.000 1.061 826 E CA -1.507 54.924 56.400 0.052 0.000 0.942 826 E CB 0.491 30.224 29.700 0.057 0.000 0.957 826 E HN 0.011 nan 8.360 nan 0.000 0.480 827 P HA -0.030 nan 4.420 nan 0.000 0.274 827 P C 0.681 178.040 177.300 0.098 0.000 1.231 827 P CA -0.084 63.069 63.100 0.088 0.000 0.790 827 P CB 1.061 32.816 31.700 0.092 0.000 0.951 828 L N 1.347 122.622 121.223 0.087 0.000 2.093 828 L HA 0.047 4.386 4.340 -0.002 0.000 0.208 828 L C 1.011 177.930 176.870 0.082 0.000 1.085 828 L CA 1.388 56.266 54.840 0.063 0.000 0.755 828 L CB -0.093 41.965 42.059 -0.002 0.000 0.904 828 L HN 0.356 nan 8.230 nan 0.000 0.435 829 I N -0.665 119.972 120.570 0.112 0.000 2.503 829 I HA 0.205 4.374 4.170 -0.002 0.000 0.282 829 I C -0.327 175.938 176.117 0.245 0.000 1.059 829 I CA -0.173 61.229 61.300 0.171 0.000 1.081 829 I CB 1.601 39.687 38.000 0.144 0.000 1.210 829 I HN -0.003 nan 8.210 nan 0.000 0.450 830 S N 3.582 119.428 115.700 0.244 0.000 2.843 830 S HA 0.920 5.389 4.470 -0.002 0.000 0.301 830 S C 0.292 175.024 174.600 0.219 0.000 1.206 830 S CA -0.265 58.090 58.200 0.258 0.000 0.875 830 S CB 1.148 64.440 63.200 0.153 0.000 1.248 830 S HN 1.157 nan 8.310 nan 0.000 0.555 831 G N 1.101 109.979 108.800 0.129 0.000 2.574 831 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.295 831 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.295 831 G C 0.756 175.771 174.900 0.193 0.000 1.300 831 G CA 0.626 45.791 45.100 0.108 0.000 0.944 831 G HN 1.405 nan 8.290 nan 0.000 0.551 832 W N -0.027 121.259 121.300 -0.025 0.000 2.341 832 W HA -0.132 4.527 4.660 -0.002 0.000 0.283 832 W C 2.221 178.809 176.519 0.115 0.000 1.215 832 W CA 2.317 59.657 57.345 -0.007 0.000 1.211 832 W CB -0.382 28.991 29.460 -0.144 0.000 1.131 832 W HN 0.553 nan 8.180 nan 0.000 0.552 833 L N 1.054 122.423 121.223 0.243 0.000 2.042 833 L HA -0.183 4.155 4.340 -0.002 0.000 0.210 833 L C 2.490 179.401 176.870 0.069 0.000 1.076 833 L CA 2.437 57.340 54.840 0.104 0.000 0.749 833 L CB -1.684 40.461 42.059 0.144 0.000 0.893 833 L HN 0.029 nan 8.230 nan 0.000 0.432 834 F N -0.626 119.345 119.950 0.034 0.000 2.043 834 F HA -0.345 4.180 4.527 -0.002 0.000 0.297 834 F C 2.315 178.097 175.800 -0.029 0.000 1.121 834 F CA 2.166 60.197 58.000 0.052 0.000 1.199 834 F CB -0.605 38.433 39.000 0.063 0.000 0.968 834 F HN 0.197 nan 8.300 nan 0.000 0.478 835 F N 1.363 121.404 119.950 0.152 0.000 2.085 835 F HA -0.310 4.216 4.527 -0.002 0.000 0.299 835 F C 2.539 178.120 175.800 -0.365 0.000 1.096 835 F CA 2.199 60.098 58.000 -0.168 0.000 1.227 835 F CB -0.516 38.151 39.000 -0.556 0.000 0.983 835 F HN -0.111 nan 8.300 nan 0.000 0.482 836 R N -1.141 119.174 120.500 -0.309 0.000 2.088 836 R HA -0.222 4.116 4.340 -0.002 0.000 0.232 836 R C 2.122 178.261 176.300 -0.268 0.000 1.136 836 R CA 2.130 58.021 56.100 -0.348 0.000 0.926 836 R CB -1.078 28.989 30.300 -0.388 0.000 0.837 836 R HN 0.305 nan 8.270 nan 0.000 0.429 837 Y N 0.130 120.352 120.300 -0.129 0.000 2.403 837 Y HA -0.154 4.394 4.550 -0.002 0.000 0.291 837 Y C 2.159 177.935 175.900 -0.206 0.000 1.143 837 Y CA 0.898 58.915 58.100 -0.138 0.000 1.257 837 Y CB -0.331 38.047 38.460 -0.137 0.000 0.984 837 Y HN 0.121 nan 8.280 nan 0.000 0.550 838 M N -0.228 119.276 119.600 -0.161 0.000 2.319 838 M HA 0.024 4.503 4.480 -0.002 0.000 0.265 838 M C 1.955 178.133 176.300 -0.204 0.000 1.068 838 M CA 1.603 56.765 55.300 -0.231 0.000 1.118 838 M CB -0.303 32.152 32.600 -0.242 0.000 1.395 838 M HN 0.097 nan 8.290 nan 0.000 0.435 839 A N -0.042 122.637 122.820 -0.234 0.000 1.901 839 A HA 0.110 4.428 4.320 -0.002 0.000 0.210 839 A C 1.831 179.402 177.584 -0.022 0.000 1.208 839 A CA 0.855 52.781 52.037 -0.185 0.000 0.644 839 A CB -0.522 18.313 19.000 -0.274 0.000 0.863 839 A HN 0.452 nan 8.150 nan 0.000 0.454 840 I N 0.772 121.348 120.570 0.010 0.000 2.208 840 I HA -0.191 3.978 4.170 -0.002 0.000 0.245 840 I C 2.584 178.794 176.117 0.156 0.000 1.097 840 I CA 1.591 62.956 61.300 0.108 0.000 1.363 840 I CB -2.160 35.931 38.000 0.152 0.000 1.051 840 I HN 0.310 nan 8.210 nan 0.000 0.413 841 G N 0.817 109.667 108.800 0.083 0.000 2.404 841 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.215 841 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.215 841 G C 1.765 176.691 174.900 0.044 0.000 1.174 841 G CA 0.754 45.882 45.100 0.048 0.000 0.780 841 G HN 0.484 nan 8.290 nan 0.000 0.537 842 G N -0.501 108.315 108.800 0.026 0.000 2.479 842 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.220 842 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.220 842 G C 1.528 176.466 174.900 0.063 0.000 1.115 842 G CA 1.110 46.224 45.100 0.024 0.000 0.757 842 G HN 0.458 nan 8.290 nan 0.000 0.560 843 Y N 1.362 121.655 120.300 -0.011 0.000 2.153 843 Y HA -0.056 4.492 4.550 -0.002 0.000 0.289 843 Y C 2.831 178.742 175.900 0.019 0.000 1.119 843 Y CA 1.802 59.905 58.100 0.005 0.000 1.116 843 Y CB -0.565 37.899 38.460 0.006 0.000 1.004 843 Y HN 0.099 nan 8.280 nan 0.000 0.501 844 V N -0.300 119.617 119.914 0.004 0.000 2.392 844 V HA -0.124 3.994 4.120 -0.002 0.000 0.249 844 V C 2.243 178.281 176.094 -0.094 0.000 1.059 844 V CA 2.261 64.521 62.300 -0.067 0.000 1.051 844 V CB -1.717 30.145 31.823 0.065 0.000 0.658 844 V HN 0.471 nan 8.190 nan 0.000 0.455 845 G N -0.184 108.590 108.800 -0.043 0.000 2.442 845 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.219 845 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.219 845 G C 1.670 176.550 174.900 -0.033 0.000 1.141 845 G CA 1.372 46.463 45.100 -0.015 0.000 0.763 845 G HN 0.986 nan 8.290 nan 0.000 0.554 846 A N 0.688 123.456 122.820 -0.088 0.000 1.911 846 A HA 0.566 4.884 4.320 -0.002 0.000 0.212 846 A C 2.767 180.270 177.584 -0.136 0.000 1.189 846 A CA 1.540 53.525 52.037 -0.086 0.000 0.639 846 A CB -0.651 18.297 19.000 -0.085 0.000 0.839 846 A HN 0.723 nan 8.150 nan 0.000 0.449 847 A N 0.285 122.928 122.820 -0.295 0.000 1.948 847 A HA -0.174 4.145 4.320 -0.002 0.000 0.220 847 A C 2.435 179.950 177.584 -0.114 0.000 1.177 847 A CA 2.853 54.710 52.037 -0.299 0.000 0.636 847 A CB -1.365 17.329 19.000 -0.510 0.000 0.815 847 A HN 0.701 nan 8.150 nan 0.000 0.449 848 T N -2.914 111.595 114.554 -0.075 0.000 2.706 848 T HA -0.071 4.278 4.350 -0.002 0.000 0.255 848 T C 1.724 176.442 174.700 0.030 0.000 1.048 848 T CA 1.331 63.426 62.100 -0.009 0.000 1.153 848 T CB -1.069 67.798 68.868 -0.002 0.000 0.865 848 T HN 0.064 nan 8.240 nan 0.000 0.414 849 V N 2.463 122.390 119.914 0.023 0.000 2.250 849 V HA -0.147 3.972 4.120 -0.002 0.000 0.250 849 V C 3.118 179.264 176.094 0.087 0.000 1.060 849 V CA 2.264 64.592 62.300 0.048 0.000 1.030 849 V CB -1.603 30.238 31.823 0.029 0.000 0.643 849 V HN 0.752 nan 8.190 nan 0.000 0.445 850 G N -0.959 107.885 108.800 0.074 0.000 2.442 850 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.219 850 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.219 850 G C 1.761 176.791 174.900 0.217 0.000 1.141 850 G CA 1.214 46.392 45.100 0.130 0.000 0.763 850 G HN 0.661 nan 8.290 nan 0.000 0.554 851 A N 1.442 124.360 122.820 0.163 0.000 1.859 851 A HA 0.131 4.450 4.320 -0.002 0.000 0.217 851 A C 2.891 180.701 177.584 0.378 0.000 1.198 851 A CA 2.805 54.983 52.037 0.235 0.000 0.629 851 A CB -1.144 17.925 19.000 0.115 0.000 0.830 851 A HN 0.946 nan 8.150 nan 0.000 0.446 852 A N -0.337 122.642 122.820 0.265 0.000 1.892 852 A HA 0.069 4.388 4.320 -0.002 0.000 0.218 852 A C 2.534 180.414 177.584 0.493 0.000 1.188 852 A CA 2.618 54.833 52.037 0.296 0.000 0.631 852 A CB -1.166 17.956 19.000 0.203 0.000 0.822 852 A HN 1.253 nan 8.150 nan 0.000 0.447 853 A N -1.642 121.421 122.820 0.405 0.000 1.972 853 A HA -0.110 4.208 4.320 -0.002 0.000 0.219 853 A C 1.907 179.746 177.584 0.426 0.000 1.169 853 A CA 1.598 53.876 52.037 0.402 0.000 0.635 853 A CB -0.856 18.270 19.000 0.211 0.000 0.810 853 A HN 0.949 nan 8.150 nan 0.000 0.446 854 W N -0.474 120.987 121.300 0.269 0.000 2.332 854 W HA -0.238 4.421 4.660 -0.002 0.000 0.321 854 W C 1.923 178.571 176.519 0.214 0.000 1.219 854 W CA 1.723 59.214 57.345 0.244 0.000 1.277 854 W CB -0.963 28.626 29.460 0.214 0.000 1.161 854 W HN 0.451 nan 8.180 nan 0.000 0.476 855 W N 0.106 121.142 121.300 -0.441 0.000 2.436 855 W HA -0.216 4.443 4.660 -0.002 0.000 0.261 855 W C 1.432 177.558 176.519 -0.656 0.000 1.222 855 W CA 1.849 58.662 57.345 -0.886 0.000 1.191 855 W CB -0.567 28.588 29.460 -0.510 0.000 1.132 855 W HN -0.050 nan 8.180 nan 0.000 0.596 856 F N -1.184 118.661 119.950 -0.176 0.000 2.582 856 F HA 0.160 4.685 4.527 -0.003 0.000 0.290 856 F C 2.058 177.631 175.800 -0.378 0.000 1.115 856 F CA 1.010 58.877 58.000 -0.221 0.000 1.445 856 F CB -0.169 38.845 39.000 0.024 0.000 1.126 856 F HN -0.223 nan 8.300 nan 0.000 0.574 857 M N -2.356 117.104 119.600 -0.234 0.000 2.347 857 M HA 0.141 4.619 4.480 -0.002 0.000 0.302 857 M C -0.182 175.581 176.300 -0.896 0.000 1.051 857 M CA 0.378 55.364 55.300 -0.523 0.000 0.988 857 M CB 0.720 32.992 32.600 -0.547 0.000 1.475 857 M HN 0.091 nan 8.290 nan 0.000 0.530 858 Y N -1.242 118.858 120.300 -0.334 0.000 2.493 858 Y HA 0.395 4.944 4.550 -0.002 0.000 0.295 858 Y C 0.931 176.625 175.900 -0.344 0.000 0.999 858 Y CA -0.873 57.106 58.100 -0.202 0.000 1.010 858 Y CB 0.045 38.585 38.460 0.133 0.000 1.402 858 Y HN 0.015 nan 8.280 nan 0.000 0.586 859 A N 1.363 123.731 122.820 -0.752 0.000 2.483 859 A HA 0.147 4.466 4.320 -0.002 0.000 0.238 859 A C 1.112 178.370 177.584 -0.544 0.000 1.070 859 A CA 0.190 51.768 52.037 -0.766 0.000 0.770 859 A CB 0.305 18.404 19.000 -1.501 0.000 1.008 859 A HN 0.492 nan 8.150 nan 0.000 0.497 860 E N 0.779 120.793 120.200 -0.310 0.000 2.112 860 E HA -0.108 4.241 4.350 -0.002 0.000 0.190 860 E C -0.029 176.377 176.600 -0.323 0.000 0.979 860 E CA 0.853 57.103 56.400 -0.250 0.000 0.814 860 E CB -0.001 29.632 29.700 -0.111 0.000 0.762 860 E HN 0.695 nan 8.360 nan 0.000 0.460 861 D N 0.561 120.756 120.400 -0.342 0.000 2.396 861 D HA 0.048 4.686 4.640 -0.002 0.000 0.255 861 D C 0.285 176.268 176.300 -0.528 0.000 1.224 861 D CA 0.465 54.296 54.000 -0.283 0.000 0.894 861 D CB 0.233 40.995 40.800 -0.063 0.000 0.939 861 D HN 0.181 nan 8.370 nan 0.000 0.506 862 G N 2.172 110.483 108.800 -0.815 0.000 3.559 862 G HA2 0.024 3.982 3.960 -0.002 0.000 0.239 862 G HA3 0.024 3.982 3.960 -0.002 0.000 0.239 862 G C -3.066 171.258 174.900 -0.960 0.000 3.928 862 G CA -0.845 43.599 45.100 -1.095 0.000 0.458 862 G HN -0.140 nan 8.290 nan 0.000 0.270 863 P HA 0.485 nan 4.420 nan 0.000 0.269 863 P C 0.506 177.591 177.300 -0.358 0.000 1.209 863 P CA 0.416 63.263 63.100 -0.423 0.000 0.776 863 P CB 2.057 33.591 31.700 -0.276 0.000 0.876 864 G N 0.461 109.092 108.800 -0.282 0.000 2.695 864 G HA2 0.332 4.290 3.960 -0.002 0.000 0.290 864 G HA3 0.332 4.290 3.960 -0.002 0.000 0.290 864 G C -1.046 173.780 174.900 -0.123 0.000 1.410 864 G CA -0.752 44.261 45.100 -0.144 0.000 0.844 864 G HN 0.439 nan 8.290 nan 0.000 0.478 865 V N 1.269 121.165 119.914 -0.030 0.000 2.484 865 V HA 0.176 4.294 4.120 -0.002 0.000 0.276 865 V C 1.620 177.645 176.094 -0.114 0.000 0.976 865 V CA 1.405 63.691 62.300 -0.023 0.000 1.141 865 V CB 0.534 32.401 31.823 0.074 0.000 0.975 865 V HN 0.928 nan 8.190 nan 0.000 0.466 866 T N 5.957 120.410 114.554 -0.168 0.000 3.155 866 T HA -0.120 4.229 4.350 -0.002 0.000 0.264 866 T C 0.971 175.540 174.700 -0.219 0.000 1.160 866 T CA 1.418 63.343 62.100 -0.291 0.000 1.075 866 T CB -0.275 68.460 68.868 -0.222 0.000 0.921 866 T HN 0.874 nan 8.240 nan 0.000 0.533 867 Y N 0.859 121.039 120.300 -0.200 0.000 2.468 867 Y HA 0.219 4.768 4.550 -0.002 0.000 0.268 867 Y C 0.870 176.766 175.900 -0.006 0.000 1.177 867 Y CA -0.214 57.818 58.100 -0.113 0.000 1.265 867 Y CB -0.081 38.335 38.460 -0.073 0.000 1.103 867 Y HN 0.442 nan 8.280 nan 0.000 0.522 868 H N -1.891 117.117 119.070 -0.103 0.000 3.433 868 H HA -0.169 4.386 4.556 -0.002 0.000 0.197 868 H C 0.221 175.501 175.328 -0.080 0.000 1.059 868 H CA 0.895 56.864 56.048 -0.131 0.000 1.185 868 H CB -1.341 28.288 29.762 -0.221 0.000 1.106 868 H HN 0.381 nan 8.280 nan 0.000 0.329 869 Q N 0.963 120.841 119.800 0.130 0.000 2.639 869 Q HA 0.098 4.437 4.340 -0.002 0.000 0.301 869 Q C 1.801 177.867 176.000 0.110 0.000 1.029 869 Q CA 0.269 56.172 55.803 0.166 0.000 0.936 869 Q CB -0.259 28.644 28.738 0.274 0.000 1.354 869 Q HN 0.577 nan 8.270 nan 0.000 0.417 870 L N -2.802 118.427 121.223 0.009 0.000 2.609 870 L HA 0.174 4.513 4.340 -0.002 0.000 0.230 870 L C 1.469 178.274 176.870 -0.108 0.000 1.087 870 L CA 0.896 55.792 54.840 0.092 0.000 0.874 870 L CB -0.154 41.956 42.059 0.084 0.000 1.114 870 L HN -0.090 nan 8.230 nan 0.000 0.488 871 T N 0.457 114.829 114.554 -0.303 0.000 2.685 871 T HA -0.181 4.168 4.350 -0.002 0.000 0.268 871 T C 1.133 175.571 174.700 -0.436 0.000 1.034 871 T CA 2.173 64.007 62.100 -0.445 0.000 1.149 871 T CB -0.634 67.769 68.868 -0.775 0.000 0.860 871 T HN 0.547 nan 8.240 nan 0.000 0.449 872 H N 0.830 119.886 119.070 -0.024 0.000 2.537 872 H HA 0.213 4.767 4.556 -0.002 0.000 0.295 872 H C 1.604 176.730 175.328 -0.336 0.000 1.054 872 H CA -0.466 55.483 56.048 -0.165 0.000 1.156 872 H CB -1.075 28.649 29.762 -0.062 0.000 1.468 872 H HN 0.597 nan 8.280 nan 0.000 0.551 873 F N 0.242 119.898 119.950 -0.491 0.000 2.323 873 F HA -0.242 4.284 4.527 -0.002 0.000 0.301 873 F C 1.954 177.393 175.800 -0.603 0.000 1.060 873 F CA 0.699 58.090 58.000 -1.016 0.000 1.398 873 F CB -0.478 37.322 39.000 -2.001 0.000 1.075 873 F HN -0.036 nan 8.300 nan 0.000 0.540 874 M N 0.919 119.573 119.600 -1.575 0.000 2.108 874 M HA -0.167 4.311 4.480 -0.002 0.000 0.261 874 M C 0.560 176.538 176.300 -0.537 0.000 1.066 874 M CA 1.537 56.119 55.300 -1.196 0.000 1.107 874 M CB -1.110 30.921 32.600 -0.948 0.000 1.356 874 M HN 0.401 nan 8.290 nan 0.000 0.406 875 Q N -0.997 118.587 119.800 -0.360 0.000 2.430 875 Q HA 0.268 4.607 4.340 -0.002 0.000 0.245 875 Q C 0.362 176.316 176.000 -0.078 0.000 1.021 875 Q CA -0.535 55.156 55.803 -0.187 0.000 0.867 875 Q CB 1.852 30.485 28.738 -0.173 0.000 1.210 875 Q HN 0.310 nan 8.270 nan 0.000 0.487 876 c N 1.319 119.902 118.600 -0.029 0.000 3.108 876 c HA 0.038 4.606 4.570 -0.002 0.000 0.459 876 c C 2.067 176.170 174.090 0.021 0.000 1.439 876 c CA 0.647 57.010 56.329 0.056 0.000 2.376 876 c CB 0.449 43.072 42.510 0.189 0.000 2.844 876 c HN 0.841 nan 8.230 nan 0.000 0.516 877 T N 1.184 115.765 114.554 0.045 0.000 2.881 877 T HA -0.121 4.228 4.350 -0.002 0.000 0.270 877 T C 1.238 175.993 174.700 0.092 0.000 1.068 877 T CA 2.068 64.221 62.100 0.088 0.000 1.131 877 T CB -0.237 68.686 68.868 0.092 0.000 0.871 877 T HN 0.694 nan 8.240 nan 0.000 0.479 878 E N 1.969 122.187 120.200 0.030 0.000 1.977 878 E HA -0.110 4.238 4.350 -0.002 0.000 0.201 878 E C 0.709 177.325 176.600 0.027 0.000 0.976 878 E CA 1.121 57.524 56.400 0.006 0.000 0.868 878 E CB -0.203 29.469 29.700 -0.046 0.000 0.816 878 E HN 0.179 nan 8.360 nan 0.000 0.522 879 D N 0.733 121.126 120.400 -0.012 0.000 2.941 879 D HA -0.067 4.572 4.640 -0.002 0.000 0.236 879 D C 0.885 177.240 176.300 0.091 0.000 1.147 879 D CA 0.204 54.208 54.000 0.007 0.000 0.975 879 D CB -0.308 40.435 40.800 -0.094 0.000 1.162 879 D HN 0.349 nan 8.370 nan 0.000 0.444 880 H N 1.864 120.948 119.070 0.023 0.000 2.368 880 H HA -0.153 4.402 4.556 -0.002 0.000 0.292 880 H C -1.130 174.224 175.328 0.044 0.000 1.117 880 H CA 1.299 57.373 56.048 0.042 0.000 1.231 880 H CB -0.373 29.403 29.762 0.024 0.000 1.359 880 H HN 0.267 nan 8.280 nan 0.000 0.490 881 P HA 0.043 nan 4.420 nan 0.000 0.254 881 P C 0.426 177.734 177.300 0.013 0.000 1.494 881 P CA 0.180 63.351 63.100 0.118 0.000 0.961 881 P CB -0.208 31.538 31.700 0.077 0.000 1.493 882 H N 1.118 120.126 119.070 -0.103 0.000 3.509 882 H HA 0.020 4.574 4.556 -0.002 0.000 0.308 882 H C 0.355 175.454 175.328 -0.381 0.000 0.994 882 H CA 1.508 57.400 56.048 -0.260 0.000 1.107 882 H CB -0.556 29.119 29.762 -0.145 0.000 1.748 882 H HN -0.092 nan 8.280 nan 0.000 1.018 883 F N 0.319 120.098 119.950 -0.284 0.000 2.653 883 F HA 0.220 4.745 4.527 -0.002 0.000 0.304 883 F C -0.015 175.749 175.800 -0.060 0.000 1.092 883 F CA -0.082 57.766 58.000 -0.252 0.000 1.279 883 F CB 0.286 39.093 39.000 -0.320 0.000 1.044 883 F HN 0.317 nan 8.300 nan 0.000 0.564 884 E N -0.500 119.766 120.200 0.110 0.000 2.272 884 E HA 0.559 4.908 4.350 -0.002 0.000 0.269 884 E C 0.036 176.631 176.600 -0.008 0.000 0.877 884 E CA -0.972 55.469 56.400 0.068 0.000 0.755 884 E CB 1.495 31.252 29.700 0.095 0.000 1.192 884 E HN 0.050 nan 8.360 nan 0.000 0.422 885 G N 2.717 111.518 108.800 0.001 0.000 4.100 885 G HA2 0.304 4.263 3.960 -0.002 0.000 0.294 885 G HA3 0.304 4.263 3.960 -0.002 0.000 0.294 885 G C -0.454 174.456 174.900 0.015 0.000 1.040 885 G CA -0.168 44.952 45.100 0.033 0.000 0.829 885 G HN 0.341 nan 8.290 nan 0.000 0.505 886 L N -0.147 121.050 121.223 -0.042 0.000 2.416 886 L HA 0.620 4.958 4.340 -0.002 0.000 0.263 886 L C -0.408 176.434 176.870 -0.048 0.000 1.065 886 L CA -0.850 53.965 54.840 -0.043 0.000 0.798 886 L CB 1.577 43.602 42.059 -0.056 0.000 1.267 886 L HN 0.007 nan 8.230 nan 0.000 0.467 887 D N 0.341 120.722 120.400 -0.033 0.000 2.435 887 D HA 0.066 4.705 4.640 -0.002 0.000 0.230 887 D C 1.018 177.317 176.300 -0.002 0.000 1.215 887 D CA 0.003 54.003 54.000 -0.000 0.000 0.947 887 D CB 0.211 41.009 40.800 -0.004 0.000 1.048 887 D HN 0.591 nan 8.370 nan 0.000 0.512 888 c N 2.805 121.428 118.600 0.039 0.000 2.396 888 c HA -0.178 4.391 4.570 -0.002 0.000 0.279 888 c C 2.232 176.452 174.090 0.215 0.000 1.229 888 c CA 1.040 57.458 56.329 0.149 0.000 1.801 888 c CB -0.851 41.751 42.510 0.154 0.000 2.050 888 c HN 0.761 nan 8.230 nan 0.000 0.491 889 E N 0.575 120.857 120.200 0.137 0.000 2.472 889 E HA -0.131 4.217 4.350 -0.002 0.000 0.200 889 E C 1.683 178.359 176.600 0.126 0.000 1.046 889 E CA 0.559 57.047 56.400 0.146 0.000 0.871 889 E CB -0.005 29.752 29.700 0.094 0.000 0.806 889 E HN 0.528 nan 8.360 nan 0.000 0.533 890 I N 0.628 121.219 120.570 0.036 0.000 2.493 890 I HA -0.211 3.957 4.170 -0.002 0.000 0.254 890 I C 1.512 177.711 176.117 0.137 0.000 1.160 890 I CA 0.946 62.249 61.300 0.006 0.000 1.445 890 I CB -1.115 36.808 38.000 -0.129 0.000 1.086 890 I HN 0.185 nan 8.210 nan 0.000 0.433 891 F N 1.658 121.807 119.950 0.331 0.000 2.161 891 F HA -0.182 4.343 4.527 -0.003 0.000 0.300 891 F C 1.957 177.924 175.800 0.278 0.000 1.089 891 F CA 1.073 59.297 58.000 0.372 0.000 1.282 891 F CB -0.654 38.430 39.000 0.139 0.000 1.010 891 F HN 0.205 nan 8.300 nan 0.000 0.485 892 E N 0.444 120.841 120.200 0.328 0.000 2.296 892 E HA 0.307 4.655 4.350 -0.002 0.000 0.196 892 E C 0.276 176.926 176.600 0.084 0.000 1.143 892 E CA -0.299 56.209 56.400 0.180 0.000 1.145 892 E CB -0.114 29.673 29.700 0.145 0.000 1.215 892 E HN 0.194 nan 8.360 nan 0.000 0.447 893 A N 2.454 125.310 122.820 0.060 0.000 2.388 893 A HA 0.181 4.500 4.320 -0.002 0.000 0.257 893 A C -1.286 176.124 177.584 -0.290 0.000 1.095 893 A CA -1.210 50.739 52.037 -0.148 0.000 0.791 893 A CB 0.340 19.179 19.000 -0.269 0.000 1.029 893 A HN 0.031 nan 8.150 nan 0.000 0.489 894 P HA -0.158 nan 4.420 nan 0.000 0.216 894 P C 0.817 177.832 177.300 -0.476 0.000 1.153 894 P CA 1.213 64.140 63.100 -0.288 0.000 0.844 894 P CB 0.101 31.680 31.700 -0.203 0.000 0.787 895 E N 1.042 120.790 120.200 -0.754 0.000 2.086 895 E HA -0.162 4.186 4.350 -0.002 0.000 0.200 895 E C -0.396 175.498 176.600 -1.177 0.000 1.012 895 E CA 1.636 57.401 56.400 -1.058 0.000 0.812 895 E CB -2.705 26.105 29.700 -1.483 0.000 0.743 895 E HN 0.425 nan 8.360 nan 0.000 0.453 896 P HA -0.121 nan 4.420 nan 0.000 0.215 896 P C 1.741 178.918 177.300 -0.205 0.000 1.153 896 P CA 1.494 64.231 63.100 -0.604 0.000 0.853 896 P CB -0.172 31.343 31.700 -0.308 0.000 0.788 897 M N -0.539 118.941 119.600 -0.199 0.000 2.288 897 M HA -0.048 4.430 4.480 -0.002 0.000 0.266 897 M C 2.355 178.599 176.300 -0.094 0.000 1.072 897 M CA 2.105 57.357 55.300 -0.079 0.000 1.132 897 M CB -1.109 31.467 32.600 -0.040 0.000 1.386 897 M HN 0.010 nan 8.290 nan 0.000 0.432 898 T N -0.913 113.532 114.554 -0.181 0.000 3.035 898 T HA -0.082 4.266 4.350 -0.002 0.000 0.268 898 T C 1.746 176.350 174.700 -0.159 0.000 1.109 898 T CA 0.644 62.643 62.100 -0.168 0.000 1.119 898 T CB 0.013 68.726 68.868 -0.259 0.000 0.900 898 T HN 0.109 nan 8.240 nan 0.000 0.503 899 M N 1.727 121.238 119.600 -0.149 0.000 2.218 899 M HA 0.165 4.643 4.480 -0.002 0.000 0.262 899 M C 2.885 179.182 176.300 -0.004 0.000 1.081 899 M CA 2.008 57.278 55.300 -0.050 0.000 1.100 899 M CB -1.677 30.980 32.600 0.094 0.000 1.258 899 M HN 0.460 nan 8.290 nan 0.000 0.438 900 A N 0.271 123.111 122.820 0.032 0.000 1.884 900 A HA -0.243 4.076 4.320 -0.002 0.000 0.219 900 A C 2.254 179.850 177.584 0.021 0.000 1.197 900 A CA 2.127 54.185 52.037 0.034 0.000 0.637 900 A CB -1.447 17.581 19.000 0.047 0.000 0.827 900 A HN 0.621 nan 8.150 nan 0.000 0.450 901 L N -0.576 120.660 121.223 0.022 0.000 2.450 901 L HA -0.141 4.198 4.340 -0.002 0.000 0.225 901 L C 1.876 178.781 176.870 0.059 0.000 1.145 901 L CA 1.758 56.621 54.840 0.040 0.000 0.801 901 L CB -0.027 42.058 42.059 0.043 0.000 0.924 901 L HN 0.324 nan 8.230 nan 0.000 0.447 902 S N -2.031 113.699 115.700 0.050 0.000 2.497 902 S HA 0.011 4.479 4.470 -0.002 0.000 0.218 902 S C 1.474 176.084 174.600 0.017 0.000 1.023 902 S CA 0.648 58.878 58.200 0.050 0.000 0.913 902 S CB 0.721 63.976 63.200 0.092 0.000 0.800 902 S HN 0.360 nan 8.310 nan 0.000 0.505 903 V N 1.674 121.598 119.914 0.016 0.000 2.951 903 V HA 0.092 4.210 4.120 -0.002 0.000 0.255 903 V C 1.720 177.828 176.094 0.024 0.000 1.088 903 V CA 0.801 63.116 62.300 0.025 0.000 1.109 903 V CB -0.031 31.798 31.823 0.009 0.000 0.724 903 V HN 0.398 nan 8.190 nan 0.000 0.471 904 L N -0.358 120.870 121.223 0.009 0.000 1.982 904 L HA 0.006 4.344 4.340 -0.002 0.000 0.206 904 L C 2.395 179.264 176.870 -0.000 0.000 1.078 904 L CA 2.368 57.213 54.840 0.009 0.000 0.749 904 L CB -0.716 41.346 42.059 0.006 0.000 0.894 904 L HN 0.142 nan 8.230 nan 0.000 0.436 905 V N 0.359 120.242 119.914 -0.051 0.000 2.230 905 V HA -0.478 3.640 4.120 -0.002 0.000 0.256 905 V C 2.710 178.787 176.094 -0.028 0.000 1.064 905 V CA 3.083 65.324 62.300 -0.098 0.000 1.050 905 V CB -1.818 29.788 31.823 -0.362 0.000 0.666 905 V HN 0.826 nan 8.190 nan 0.000 0.457 906 T N -0.850 113.697 114.554 -0.011 0.000 2.607 906 T HA -0.256 4.093 4.350 -0.002 0.000 0.267 906 T C 1.794 176.536 174.700 0.069 0.000 1.049 906 T CA 2.160 64.287 62.100 0.045 0.000 1.162 906 T CB -0.788 68.129 68.868 0.082 0.000 0.863 906 T HN 0.379 nan 8.240 nan 0.000 0.424 907 I N 1.357 121.976 120.570 0.082 0.000 2.381 907 I HA -0.192 3.976 4.170 -0.002 0.000 0.255 907 I C 2.782 178.973 176.117 0.124 0.000 1.140 907 I CA 1.517 62.886 61.300 0.115 0.000 1.404 907 I CB -0.356 37.726 38.000 0.136 0.000 1.075 907 I HN 0.327 nan 8.210 nan 0.000 0.433 908 E N -0.151 120.118 120.200 0.114 0.000 2.140 908 E HA -0.032 4.317 4.350 -0.002 0.000 0.191 908 E C 2.121 178.839 176.600 0.197 0.000 0.973 908 E CA 0.675 57.186 56.400 0.186 0.000 0.829 908 E CB -0.115 29.660 29.700 0.126 0.000 0.781 908 E HN 0.355 nan 8.360 nan 0.000 0.466 909 M N 0.079 119.745 119.600 0.110 0.000 2.549 909 M HA -0.083 4.395 4.480 -0.002 0.000 0.260 909 M C 1.912 178.236 176.300 0.040 0.000 1.076 909 M CA 0.637 55.977 55.300 0.066 0.000 1.090 909 M CB -1.002 31.624 32.600 0.044 0.000 1.418 909 M HN 0.142 nan 8.290 nan 0.000 0.486 910 C N -0.842 118.495 119.300 0.063 0.000 2.480 910 C HA 0.088 4.546 4.460 -0.002 0.000 0.304 910 C C 2.470 177.488 174.990 0.046 0.000 1.399 910 C CA 0.184 59.231 59.018 0.049 0.000 1.900 910 C CB -1.032 26.747 27.740 0.065 0.000 2.194 910 C HN 0.499 nan 8.230 nan 0.000 0.550 911 N N 1.951 120.714 118.700 0.105 0.000 2.205 911 N HA -0.072 4.666 4.740 -0.002 0.000 0.186 911 N C 1.336 176.869 175.510 0.039 0.000 1.015 911 N CA 1.431 54.567 53.050 0.143 0.000 0.862 911 N CB -0.218 38.415 38.487 0.243 0.000 0.986 911 N HN 0.479 nan 8.380 nan 0.000 0.429 912 A N -0.707 122.046 122.820 -0.112 0.000 2.250 912 A HA 0.137 4.455 4.320 -0.002 0.000 0.208 912 A C 1.234 178.615 177.584 -0.338 0.000 1.254 912 A CA 0.430 52.068 52.037 -0.665 0.000 0.858 912 A CB -0.447 18.122 19.000 -0.718 0.000 0.820 912 A HN 0.383 nan 8.150 nan 0.000 0.484 913 L N -2.245 118.888 121.223 -0.150 0.000 3.017 913 L HA 0.166 4.505 4.340 -0.002 0.000 0.265 913 L C 0.815 177.654 176.870 -0.053 0.000 1.128 913 L CA -0.114 54.670 54.840 -0.092 0.000 0.984 913 L CB 0.037 42.065 42.059 -0.052 0.000 1.464 913 L HN 0.121 nan 8.230 nan 0.000 0.556 914 N N -0.025 118.665 118.700 -0.017 0.000 2.413 914 N HA 0.071 4.809 4.740 -0.002 0.000 0.207 914 N C 0.850 176.383 175.510 0.038 0.000 1.206 914 N CA 0.331 53.392 53.050 0.018 0.000 0.832 914 N CB 0.670 39.188 38.487 0.051 0.000 1.037 914 N HN 0.197 nan 8.380 nan 0.000 0.467 915 S N -0.127 115.568 115.700 -0.008 0.000 2.665 915 S HA 0.223 4.692 4.470 -0.002 0.000 0.240 915 S C 1.809 176.394 174.600 -0.024 0.000 1.081 915 S CA -0.405 57.795 58.200 -0.001 0.000 0.887 915 S CB 0.449 63.599 63.200 -0.083 0.000 0.805 915 S HN 0.150 nan 8.310 nan 0.000 0.486 916 L N 1.495 122.686 121.223 -0.054 0.000 2.283 916 L HA -0.085 4.253 4.340 -0.002 0.000 0.217 916 L C 0.947 177.800 176.870 -0.028 0.000 1.104 916 L CA 0.790 55.604 54.840 -0.044 0.000 0.772 916 L CB -0.141 41.882 42.059 -0.060 0.000 0.899 916 L HN 0.208 nan 8.230 nan 0.000 0.439 917 S N -2.530 113.158 115.700 -0.020 0.000 2.618 917 S HA 0.207 4.676 4.470 -0.002 0.000 0.277 917 S C 0.470 175.076 174.600 0.011 0.000 1.138 917 S CA -0.751 57.442 58.200 -0.011 0.000 0.844 917 S CB 2.147 65.332 63.200 -0.025 0.000 1.127 917 S HN 0.172 nan 8.310 nan 0.000 0.474 918 E N 0.625 120.834 120.200 0.015 0.000 2.132 918 E HA 0.124 4.472 4.350 -0.002 0.000 0.193 918 E C 0.416 177.029 176.600 0.023 0.000 0.951 918 E CA 0.529 56.947 56.400 0.031 0.000 0.843 918 E CB 0.067 29.788 29.700 0.036 0.000 0.807 918 E HN 0.630 nan 8.360 nan 0.000 0.467 919 N N -0.156 118.550 118.700 0.010 0.000 2.168 919 N HA 0.015 4.754 4.740 -0.002 0.000 0.216 919 N C -0.466 175.040 175.510 -0.007 0.000 1.259 919 N CA 0.019 53.070 53.050 0.002 0.000 0.902 919 N CB 0.666 39.144 38.487 -0.016 0.000 1.079 919 N HN 0.036 nan 8.380 nan 0.000 0.507 920 Q N 1.782 121.574 119.800 -0.013 0.000 2.300 920 Q HA 0.118 4.457 4.340 -0.002 0.000 0.262 920 Q C 0.353 176.342 176.000 -0.018 0.000 1.109 920 Q CA 0.126 55.917 55.803 -0.020 0.000 0.905 920 Q CB 0.840 29.560 28.738 -0.030 0.000 1.280 920 Q HN 0.057 nan 8.270 nan 0.000 0.426 921 S N 2.363 118.062 115.700 -0.000 0.000 2.542 921 S HA -0.070 4.399 4.470 -0.002 0.000 0.287 921 S C 1.446 176.023 174.600 -0.038 0.000 1.315 921 S CA -0.254 57.949 58.200 0.004 0.000 1.037 921 S CB 0.415 63.635 63.200 0.033 0.000 0.822 921 S HN 0.714 nan 8.310 nan 0.000 0.513 922 L N 3.535 124.731 121.223 -0.046 0.000 2.191 922 L HA -0.145 4.194 4.340 -0.002 0.000 0.212 922 L C 2.387 179.172 176.870 -0.141 0.000 1.103 922 L CA 1.492 56.275 54.840 -0.095 0.000 0.769 922 L CB -0.401 41.615 42.059 -0.072 0.000 0.908 922 L HN 0.836 nan 8.230 nan 0.000 0.438 923 M N -2.001 117.546 119.600 -0.088 0.000 2.562 923 M HA -0.092 4.387 4.480 -0.002 0.000 0.257 923 M C 2.076 178.317 176.300 -0.099 0.000 1.099 923 M CA 1.352 56.598 55.300 -0.089 0.000 1.099 923 M CB -0.387 32.197 32.600 -0.027 0.000 1.427 923 M HN 0.055 nan 8.290 nan 0.000 0.489 924 R N 0.748 121.195 120.500 -0.088 0.000 2.265 924 R HA 0.323 4.662 4.340 -0.002 0.000 0.194 924 R C 0.023 176.251 176.300 -0.121 0.000 0.931 924 R CA 0.284 56.338 56.100 -0.077 0.000 1.032 924 R CB 0.607 30.882 30.300 -0.041 0.000 0.980 924 R HN 0.416 nan 8.270 nan 0.000 0.497 925 M N 2.470 121.969 119.600 -0.169 0.000 2.297 925 M HA 0.283 4.761 4.480 -0.002 0.000 0.241 925 M C -2.596 173.513 176.300 -0.319 0.000 1.106 925 M CA -1.660 53.511 55.300 -0.216 0.000 0.809 925 M CB 2.310 34.829 32.600 -0.134 0.000 2.236 925 M HN -0.137 nan 8.290 nan 0.000 0.362 926 P HA 0.067 nan 4.420 nan 0.000 0.268 926 P C -2.239 174.732 177.300 -0.549 0.000 1.208 926 P CA -0.432 62.189 63.100 -0.798 0.000 0.777 926 P CB 0.071 30.566 31.700 -2.008 0.000 0.875 927 P HA -0.147 nan 4.420 nan 0.000 0.219 927 P C 1.068 178.361 177.300 -0.011 0.000 1.146 927 P CA 1.606 64.651 63.100 -0.091 0.000 0.808 927 P CB -0.567 31.140 31.700 0.011 0.000 0.779 928 W N -0.172 121.117 121.300 -0.018 0.000 3.316 928 W HA 0.196 4.855 4.660 -0.002 0.000 0.258 928 W C 0.719 177.221 176.519 -0.028 0.000 1.330 928 W CA -0.230 57.099 57.345 -0.028 0.000 1.595 928 W CB -1.712 27.730 29.460 -0.030 0.000 1.088 928 W HN -0.318 nan 8.180 nan 0.000 0.734 929 V N 1.544 121.397 119.914 -0.103 0.000 3.306 929 V HA -0.060 4.058 4.120 -0.002 0.000 0.264 929 V C 0.527 176.624 176.094 0.004 0.000 1.149 929 V CA 1.093 63.344 62.300 -0.082 0.000 1.143 929 V CB -0.954 30.781 31.823 -0.146 0.000 0.767 929 V HN 0.368 nan 8.190 nan 0.000 0.476 930 N N -0.127 118.590 118.700 0.028 0.000 2.549 930 N HA 0.316 5.055 4.740 -0.002 0.000 0.281 930 N C 0.361 175.893 175.510 0.038 0.000 1.084 930 N CA -0.310 52.772 53.050 0.053 0.000 0.862 930 N CB 1.672 40.206 38.487 0.078 0.000 1.333 930 N HN 0.074 nan 8.380 nan 0.000 0.523 931 I N 1.809 122.337 120.570 -0.070 0.000 2.315 931 I HA -0.150 4.019 4.170 -0.002 0.000 0.248 931 I C 1.363 177.433 176.117 -0.080 0.000 1.117 931 I CA 0.988 62.199 61.300 -0.149 0.000 1.404 931 I CB 0.040 37.823 38.000 -0.362 0.000 1.071 931 I HN 0.543 nan 8.210 nan 0.000 0.419 932 W N 0.449 121.799 121.300 0.085 0.000 2.332 932 W HA -0.270 4.388 4.660 -0.002 0.000 0.321 932 W C 2.485 179.012 176.519 0.013 0.000 1.219 932 W CA 0.057 57.448 57.345 0.076 0.000 1.277 932 W CB -0.621 28.931 29.460 0.154 0.000 1.161 932 W HN 0.080 nan 8.180 nan 0.000 0.476 933 L N 0.750 122.117 121.223 0.240 0.000 2.021 933 L HA -0.259 4.079 4.340 -0.002 0.000 0.215 933 L C 2.070 178.982 176.870 0.071 0.000 1.074 933 L CA 1.879 56.772 54.840 0.087 0.000 0.760 933 L CB -1.254 40.821 42.059 0.027 0.000 0.889 933 L HN 0.063 nan 8.230 nan 0.000 0.433 934 L N -1.130 120.142 121.223 0.082 0.000 1.948 934 L HA -0.134 4.205 4.340 -0.002 0.000 0.212 934 L C 2.598 179.511 176.870 0.071 0.000 1.074 934 L CA 1.584 56.462 54.840 0.064 0.000 0.753 934 L CB -1.735 40.363 42.059 0.066 0.000 0.888 934 L HN 0.443 nan 8.230 nan 0.000 0.432 935 G N 0.426 109.284 108.800 0.096 0.000 2.624 935 G HA2 -0.420 3.538 3.960 -0.002 0.000 0.221 935 G HA3 -0.420 3.538 3.960 -0.002 0.000 0.221 935 G C 1.780 176.744 174.900 0.107 0.000 1.169 935 G CA 1.890 47.058 45.100 0.113 0.000 0.771 935 G HN 0.542 nan 8.290 nan 0.000 0.598 936 S N 1.080 116.855 115.700 0.125 0.000 2.368 936 S HA -0.204 4.265 4.470 -0.002 0.000 0.226 936 S C 2.349 176.971 174.600 0.036 0.000 1.044 936 S CA 1.673 59.912 58.200 0.064 0.000 1.062 936 S CB -0.647 62.569 63.200 0.027 0.000 0.931 936 S HN 0.411 nan 8.310 nan 0.000 0.440 937 I N 1.530 122.118 120.570 0.030 0.000 2.185 937 I HA -0.280 3.888 4.170 -0.002 0.000 0.246 937 I C 2.711 178.840 176.117 0.019 0.000 1.088 937 I CA 1.469 62.782 61.300 0.021 0.000 1.347 937 I CB -0.873 37.137 38.000 0.016 0.000 1.041 937 I HN 0.473 nan 8.210 nan 0.000 0.415 938 C N 0.068 119.380 119.300 0.020 0.000 2.446 938 C HA -0.119 4.340 4.460 -0.002 0.000 0.277 938 C C 2.719 177.718 174.990 0.014 0.000 1.275 938 C CA 0.268 59.288 59.018 0.003 0.000 1.727 938 C CB -0.960 26.784 27.740 0.006 0.000 2.010 938 C HN 0.534 nan 8.230 nan 0.000 0.486 939 L N 1.410 122.655 121.223 0.036 0.000 2.131 939 L HA -0.085 4.254 4.340 -0.002 0.000 0.210 939 L C 2.374 179.285 176.870 0.068 0.000 1.092 939 L CA 1.968 56.838 54.840 0.049 0.000 0.759 939 L CB -0.705 41.382 42.059 0.047 0.000 0.903 939 L HN 0.226 nan 8.230 nan 0.000 0.435 940 S N -0.951 114.785 115.700 0.060 0.000 2.371 940 S HA -0.072 4.396 4.470 -0.002 0.000 0.224 940 S C 1.878 176.568 174.600 0.149 0.000 1.029 940 S CA 1.325 59.581 58.200 0.093 0.000 0.978 940 S CB -0.213 63.019 63.200 0.055 0.000 0.833 940 S HN 0.347 nan 8.310 nan 0.000 0.466 941 M N 2.045 121.693 119.600 0.080 0.000 2.099 941 M HA -0.017 4.462 4.480 -0.002 0.000 0.262 941 M C 2.551 178.861 176.300 0.016 0.000 1.067 941 M CA 1.522 56.850 55.300 0.046 0.000 1.124 941 M CB -1.888 30.662 32.600 -0.084 0.000 1.353 941 M HN 0.476 nan 8.290 nan 0.000 0.410 942 S N 0.068 115.764 115.700 -0.007 0.000 2.419 942 S HA -0.120 4.349 4.470 -0.002 0.000 0.235 942 S C 2.030 176.746 174.600 0.193 0.000 1.019 942 S CA 0.925 59.145 58.200 0.033 0.000 0.982 942 S CB -0.665 62.553 63.200 0.031 0.000 0.789 942 S HN 0.437 nan 8.310 nan 0.000 0.490 943 L N 0.962 122.321 121.223 0.227 0.000 1.993 943 L HA -0.070 4.268 4.340 -0.002 0.000 0.206 943 L C 2.895 179.997 176.870 0.387 0.000 1.074 943 L CA 1.929 56.965 54.840 0.325 0.000 0.746 943 L CB -0.811 41.473 42.059 0.375 0.000 0.896 943 L HN 0.488 nan 8.230 nan 0.000 0.435 944 H N -0.387 118.881 119.070 0.330 0.000 2.400 944 H HA -0.293 4.262 4.556 -0.002 0.000 0.295 944 H C 2.197 177.745 175.328 0.366 0.000 1.118 944 H CA 2.202 58.438 56.048 0.314 0.000 1.256 944 H CB -0.197 29.762 29.762 0.328 0.000 1.365 944 H HN 0.341 nan 8.280 nan 0.000 0.502 945 F N -0.049 119.979 119.950 0.131 0.000 2.293 945 F HA -0.162 4.364 4.527 -0.002 0.000 0.300 945 F C 2.558 178.439 175.800 0.135 0.000 1.086 945 F CA 0.069 58.141 58.000 0.120 0.000 1.375 945 F CB 0.082 39.221 39.000 0.231 0.000 1.045 945 F HN 0.175 nan 8.300 nan 0.000 0.516 946 L N 0.392 121.787 121.223 0.286 0.000 2.191 946 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 946 L C 1.617 178.505 176.870 0.029 0.000 1.103 946 L CA 1.693 56.636 54.840 0.171 0.000 0.769 946 L CB -0.488 41.664 42.059 0.155 0.000 0.908 946 L HN 0.104 nan 8.230 nan 0.000 0.438 947 I N -1.214 119.299 120.570 -0.095 0.000 3.684 947 I HA -0.094 4.075 4.170 -0.002 0.000 0.304 947 I C 1.372 177.376 176.117 -0.189 0.000 1.278 947 I CA 0.237 61.421 61.300 -0.194 0.000 1.272 947 I CB -0.022 37.727 38.000 -0.418 0.000 1.029 947 I HN 0.306 nan 8.210 nan 0.000 0.458 948 L N -1.473 119.609 121.223 -0.235 0.000 2.433 948 L HA 0.037 4.375 4.340 -0.002 0.000 0.200 948 L C 2.047 178.693 176.870 -0.374 0.000 1.059 948 L CA 0.512 55.117 54.840 -0.391 0.000 0.835 948 L CB -0.513 41.157 42.059 -0.649 0.000 1.076 948 L HN 0.076 nan 8.230 nan 0.000 0.481 949 Y N 0.363 120.610 120.300 -0.089 0.000 2.314 949 Y HA 0.037 4.586 4.550 -0.002 0.000 0.294 949 Y C 1.320 177.205 175.900 -0.025 0.000 1.119 949 Y CA 0.018 58.086 58.100 -0.053 0.000 1.179 949 Y CB -0.174 38.264 38.460 -0.037 0.000 1.025 949 Y HN -0.220 nan 8.280 nan 0.000 0.541 950 V N 2.890 122.882 119.914 0.130 0.000 2.364 950 V HA -0.069 4.050 4.120 -0.002 0.000 0.252 950 V C 0.668 176.784 176.094 0.036 0.000 1.075 950 V CA -0.389 61.958 62.300 0.078 0.000 1.033 950 V CB -0.146 31.718 31.823 0.067 0.000 1.116 950 V HN 0.379 nan 8.190 nan 0.000 0.488 951 D N 5.996 126.416 120.400 0.035 0.000 2.370 951 D HA -0.231 4.407 4.640 -0.002 0.000 0.190 951 D C -0.267 176.034 176.300 0.001 0.000 1.019 951 D CA 2.167 56.175 54.000 0.013 0.000 0.869 951 D CB -1.235 39.575 40.800 0.017 0.000 0.944 951 D HN 0.469 nan 8.370 nan 0.000 0.456 952 P HA -0.121 nan 4.420 nan 0.000 0.216 952 P C 1.926 179.217 177.300 -0.015 0.000 1.150 952 P CA 0.861 63.961 63.100 -0.001 0.000 0.843 952 P CB -0.073 31.634 31.700 0.011 0.000 0.787 953 L N -0.110 121.109 121.223 -0.007 0.000 1.973 953 L HA -0.070 4.268 4.340 -0.002 0.000 0.208 953 L C -0.171 176.706 176.870 0.011 0.000 1.073 953 L CA 2.088 56.926 54.840 -0.003 0.000 0.746 953 L CB -2.415 39.640 42.059 -0.006 0.000 0.891 953 L HN 0.058 nan 8.230 nan 0.000 0.433 954 P HA -0.268 nan 4.420 nan 0.000 0.218 954 P C 1.704 178.989 177.300 -0.025 0.000 1.154 954 P CA 2.313 65.406 63.100 -0.011 0.000 0.872 954 P CB -0.280 31.380 31.700 -0.066 0.000 0.790 955 M N -2.405 117.166 119.600 -0.048 0.000 2.346 955 M HA -0.074 4.404 4.480 -0.002 0.000 0.263 955 M C 1.981 178.218 176.300 -0.105 0.000 1.064 955 M CA 1.909 57.172 55.300 -0.062 0.000 1.083 955 M CB -0.991 31.578 32.600 -0.050 0.000 1.399 955 M HN -0.181 nan 8.290 nan 0.000 0.435 956 I N -0.842 119.627 120.570 -0.169 0.000 2.584 956 I HA 0.010 4.178 4.170 -0.002 0.000 0.255 956 I C 0.925 176.718 176.117 -0.540 0.000 1.145 956 I CA 0.633 61.708 61.300 -0.375 0.000 1.462 956 I CB -0.044 37.643 38.000 -0.521 0.000 1.102 956 I HN 0.228 nan 8.210 nan 0.000 0.433 957 F N 0.180 120.082 119.950 -0.079 0.000 3.103 957 F HA 0.398 4.923 4.527 -0.002 0.000 0.165 957 F C 0.393 176.133 175.800 -0.100 0.000 1.556 957 F CA -0.443 57.506 58.000 -0.085 0.000 0.907 957 F CB -0.127 38.800 39.000 -0.121 0.000 1.988 957 F HN -0.414 nan 8.300 nan 0.000 0.364 958 K N 0.658 121.132 120.400 0.124 0.000 2.340 958 K HA 0.475 4.794 4.320 -0.002 0.000 0.244 958 K C -1.015 175.519 176.600 -0.110 0.000 0.973 958 K CA -0.804 55.459 56.287 -0.041 0.000 0.828 958 K CB 2.179 34.625 32.500 -0.090 0.000 1.226 958 K HN 0.232 nan 8.250 nan 0.000 0.437 959 L N 1.142 122.272 121.223 -0.155 0.000 2.468 959 L HA 0.144 4.483 4.340 -0.002 0.000 0.253 959 L C 0.086 176.812 176.870 -0.241 0.000 1.237 959 L CA 0.375 55.107 54.840 -0.180 0.000 0.823 959 L CB 0.267 42.232 42.059 -0.156 0.000 1.124 959 L HN 0.434 nan 8.230 nan 0.000 0.504 960 K N 1.163 121.409 120.400 -0.256 0.000 2.380 960 K HA 0.422 4.741 4.320 -0.002 0.000 0.267 960 K C -0.507 175.955 176.600 -0.230 0.000 0.990 960 K CA 0.099 56.212 56.287 -0.289 0.000 0.946 960 K CB 0.270 32.571 32.500 -0.333 0.000 0.937 960 K HN 0.707 nan 8.250 nan 0.000 0.491 961 A N 2.165 124.827 122.820 -0.264 0.000 2.306 961 A HA 0.307 4.626 4.320 -0.002 0.000 0.314 961 A C -0.851 176.720 177.584 -0.022 0.000 1.164 961 A CA -0.708 51.083 52.037 -0.410 0.000 0.822 961 A CB 0.549 18.832 19.000 -1.195 0.000 1.130 961 A HN 0.540 nan 8.150 nan 0.000 0.496 962 L N 3.502 124.746 121.223 0.035 0.000 2.456 962 L HA 0.184 4.522 4.340 -0.002 0.000 0.277 962 L C 0.063 177.206 176.870 0.455 0.000 1.124 962 L CA -0.414 54.559 54.840 0.222 0.000 0.880 962 L CB -0.444 41.711 42.059 0.160 0.000 1.192 962 L HN 0.779 nan 8.230 nan 0.000 0.463 963 D N 5.084 125.862 120.400 0.630 0.000 2.515 963 D HA -0.022 4.617 4.640 -0.002 0.000 0.232 963 D C 0.672 177.202 176.300 0.385 0.000 1.157 963 D CA -0.027 54.344 54.000 0.619 0.000 0.871 963 D CB 0.201 41.108 40.800 0.179 0.000 1.200 963 D HN 0.601 nan 8.370 nan 0.000 0.466 964 L N -0.328 121.101 121.223 0.344 0.000 3.943 964 L HA -0.259 4.080 4.340 -0.002 0.000 0.529 964 L C 0.416 177.408 176.870 0.203 0.000 1.173 964 L CA 1.228 56.204 54.840 0.227 0.000 0.737 964 L CB -2.886 39.262 42.059 0.147 0.000 1.321 964 L HN 0.893 nan 8.230 nan 0.000 0.794 965 T N -5.630 109.060 114.554 0.226 0.000 3.869 965 T HA -0.012 4.336 4.350 -0.002 0.000 0.331 965 T C 1.057 175.902 174.700 0.242 0.000 0.879 965 T CA 0.175 62.397 62.100 0.204 0.000 1.166 965 T CB -0.317 68.668 68.868 0.195 0.000 1.037 965 T HN 0.424 nan 8.240 nan 0.000 0.562 966 Q N -0.403 119.539 119.800 0.237 0.000 2.511 966 Q HA 0.276 4.614 4.340 -0.002 0.000 0.236 966 Q C 1.637 177.662 176.000 0.040 0.000 0.893 966 Q CA 0.230 56.146 55.803 0.188 0.000 0.947 966 Q CB 0.333 29.134 28.738 0.107 0.000 1.110 966 Q HN 0.527 nan 8.270 nan 0.000 0.591 967 W N 1.451 122.831 121.300 0.132 0.000 2.407 967 W HA -0.034 4.625 4.660 -0.002 0.000 0.305 967 W C 1.922 178.490 176.519 0.082 0.000 1.196 967 W CA 0.593 58.011 57.345 0.122 0.000 1.311 967 W CB -0.293 29.258 29.460 0.152 0.000 1.135 967 W HN 0.049 nan 8.180 nan 0.000 0.514 968 L N -0.198 121.214 121.223 0.315 0.000 2.079 968 L HA -0.276 4.063 4.340 -0.002 0.000 0.210 968 L C 2.437 179.348 176.870 0.068 0.000 1.081 968 L CA 1.299 56.243 54.840 0.173 0.000 0.752 968 L CB -0.788 41.353 42.059 0.137 0.000 0.896 968 L HN 0.116 nan 8.230 nan 0.000 0.433 969 M N -0.126 119.479 119.600 0.007 0.000 2.117 969 M HA -0.136 4.342 4.480 -0.002 0.000 0.262 969 M C 2.088 178.290 176.300 -0.162 0.000 1.065 969 M CA 1.828 57.011 55.300 -0.195 0.000 1.114 969 M CB -0.591 31.742 32.600 -0.445 0.000 1.361 969 M HN -0.039 nan 8.290 nan 0.000 0.408 970 V N 0.590 120.474 119.914 -0.050 0.000 2.252 970 V HA -0.323 3.795 4.120 -0.002 0.000 0.249 970 V C 2.553 178.673 176.094 0.043 0.000 1.056 970 V CA 2.163 64.464 62.300 0.002 0.000 1.022 970 V CB -1.126 30.751 31.823 0.090 0.000 0.641 970 V HN 0.564 nan 8.190 nan 0.000 0.445 971 L N 0.545 121.825 121.223 0.095 0.000 2.079 971 L HA -0.199 4.140 4.340 -0.002 0.000 0.210 971 L C 2.411 179.311 176.870 0.049 0.000 1.081 971 L CA 1.955 56.849 54.840 0.090 0.000 0.752 971 L CB -0.850 41.274 42.059 0.108 0.000 0.896 971 L HN 0.520 nan 8.230 nan 0.000 0.433 972 K N -0.119 120.287 120.400 0.009 0.000 2.589 972 K HA 0.023 4.341 4.320 -0.002 0.000 0.192 972 K C 1.329 177.925 176.600 -0.007 0.000 1.029 972 K CA 0.740 57.021 56.287 -0.009 0.000 1.031 972 K CB 0.054 32.526 32.500 -0.047 0.000 0.821 972 K HN 0.381 nan 8.250 nan 0.000 0.502 973 I N 0.421 120.996 120.570 0.009 0.000 3.345 973 I HA -0.129 4.040 4.170 -0.002 0.000 0.258 973 I C 2.249 178.449 176.117 0.138 0.000 1.134 973 I CA 0.394 61.714 61.300 0.034 0.000 1.457 973 I CB -0.102 37.880 38.000 -0.030 0.000 1.425 973 I HN 0.233 nan 8.210 nan 0.000 0.461 974 S N 2.237 118.008 115.700 0.119 0.000 2.355 974 S HA -0.116 4.353 4.470 -0.002 0.000 0.210 974 S C 2.059 176.745 174.600 0.144 0.000 1.035 974 S CA 0.783 59.082 58.200 0.165 0.000 1.011 974 S CB -1.193 62.078 63.200 0.118 0.000 1.000 974 S HN 0.293 nan 8.310 nan 0.000 0.423 975 L N 2.174 123.453 121.223 0.095 0.000 2.251 975 L HA -0.208 4.130 4.340 -0.002 0.000 0.226 975 L C -0.570 176.324 176.870 0.040 0.000 1.103 975 L CA 2.094 56.972 54.840 0.064 0.000 0.827 975 L CB -1.990 40.102 42.059 0.055 0.000 0.907 975 L HN 0.330 nan 8.230 nan 0.000 0.449 976 P HA -0.155 nan 4.420 nan 0.000 0.217 976 P C 1.859 179.093 177.300 -0.110 0.000 1.148 976 P CA 1.114 64.208 63.100 -0.010 0.000 0.828 976 P CB 0.039 31.761 31.700 0.037 0.000 0.783 977 V N 0.302 120.140 119.914 -0.128 0.000 2.218 977 V HA -0.334 3.784 4.120 -0.002 0.000 0.251 977 V C 2.305 178.323 176.094 -0.125 0.000 1.057 977 V CA 2.247 64.410 62.300 -0.228 0.000 1.022 977 V CB -1.362 30.448 31.823 -0.021 0.000 0.645 977 V HN 0.077 nan 8.190 nan 0.000 0.451 978 I N 0.409 120.955 120.570 -0.039 0.000 2.161 978 I HA -0.358 3.810 4.170 -0.002 0.000 0.246 978 I C 2.512 178.612 176.117 -0.027 0.000 1.048 978 I CA 2.050 63.340 61.300 -0.016 0.000 1.314 978 I CB -1.222 36.779 38.000 0.000 0.000 1.014 978 I HN 0.489 nan 8.210 nan 0.000 0.418 979 G N 1.158 109.931 108.800 -0.045 0.000 2.480 979 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.216 979 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.216 979 G C 1.606 176.480 174.900 -0.043 0.000 1.200 979 G CA 0.960 46.036 45.100 -0.040 0.000 0.782 979 G HN 0.359 nan 8.290 nan 0.000 0.554 980 L N 0.609 121.770 121.223 -0.102 0.000 2.151 980 L HA -0.167 4.172 4.340 -0.002 0.000 0.215 980 L C 1.963 178.816 176.870 -0.028 0.000 1.084 980 L CA 2.768 57.544 54.840 -0.107 0.000 0.764 980 L CB -0.457 41.438 42.059 -0.273 0.000 0.891 980 L HN 0.259 nan 8.230 nan 0.000 0.435 981 D N -1.345 119.044 120.400 -0.018 0.000 2.214 981 D HA -0.100 4.538 4.640 -0.002 0.000 0.217 981 D C 2.014 178.352 176.300 0.064 0.000 0.973 981 D CA 0.733 54.748 54.000 0.024 0.000 0.880 981 D CB 0.027 40.838 40.800 0.019 0.000 1.031 981 D HN 0.244 nan 8.370 nan 0.000 0.468 982 E N 0.315 120.542 120.200 0.046 0.000 2.233 982 E HA -0.183 4.166 4.350 -0.002 0.000 0.199 982 E C 2.229 178.901 176.600 0.121 0.000 1.004 982 E CA 0.603 57.043 56.400 0.068 0.000 0.819 982 E CB -0.181 29.539 29.700 0.034 0.000 0.738 982 E HN 0.497 nan 8.360 nan 0.000 0.478 983 I N 0.123 120.757 120.570 0.107 0.000 2.233 983 I HA -0.227 3.942 4.170 -0.002 0.000 0.243 983 I C 2.382 178.653 176.117 0.256 0.000 1.093 983 I CA 0.681 62.071 61.300 0.150 0.000 1.380 983 I CB -0.200 37.855 38.000 0.092 0.000 1.067 983 I HN 0.043 nan 8.210 nan 0.000 0.413 984 L N 0.452 121.830 121.223 0.259 0.000 2.072 984 L HA -0.163 4.176 4.340 -0.002 0.000 0.205 984 L C 2.466 179.526 176.870 0.317 0.000 1.079 984 L CA 1.316 56.414 54.840 0.430 0.000 0.752 984 L CB -0.556 41.738 42.059 0.393 0.000 0.906 984 L HN 0.124 nan 8.230 nan 0.000 0.436 985 K N -0.507 120.015 120.400 0.203 0.000 2.211 985 K HA -0.219 4.099 4.320 -0.002 0.000 0.204 985 K C 1.954 178.604 176.600 0.083 0.000 1.047 985 K CA 1.440 57.797 56.287 0.117 0.000 0.935 985 K CB -0.159 32.394 32.500 0.089 0.000 0.728 985 K HN 0.155 nan 8.250 nan 0.000 0.452 986 F N 1.176 121.134 119.950 0.012 0.000 2.416 986 F HA -0.020 4.506 4.527 -0.002 0.000 0.296 986 F C 1.348 177.106 175.800 -0.070 0.000 1.099 986 F CA 0.414 58.401 58.000 -0.021 0.000 1.427 986 F CB 0.216 39.213 39.000 -0.006 0.000 1.079 986 F HN -0.137 nan 8.300 nan 0.000 0.536 987 I N 0.900 121.418 120.570 -0.086 0.000 3.164 987 I HA -0.174 3.994 4.170 -0.002 0.000 0.278 987 I C 2.310 178.129 176.117 -0.498 0.000 1.320 987 I CA 0.925 62.025 61.300 -0.334 0.000 1.422 987 I CB -2.593 35.084 38.000 -0.539 0.000 1.066 987 I HN 0.226 nan 8.210 nan 0.000 0.503 988 A N 1.650 124.220 122.820 -0.417 0.000 1.832 988 A HA -0.142 4.177 4.320 -0.002 0.000 0.214 988 A C 2.489 179.867 177.584 -0.344 0.000 1.204 988 A CA 0.913 52.755 52.037 -0.325 0.000 0.606 988 A CB -0.463 18.399 19.000 -0.231 0.000 0.849 988 A HN 0.279 nan 8.150 nan 0.000 0.445 989 R N -0.076 120.117 120.500 -0.512 0.000 2.139 989 R HA -0.097 4.241 4.340 -0.002 0.000 0.243 989 R C 1.045 177.119 176.300 -0.377 0.000 1.145 989 R CA 1.315 57.129 56.100 -0.477 0.000 0.976 989 R CB -0.369 29.507 30.300 -0.706 0.000 0.866 989 R HN 0.440 nan 8.270 nan 0.000 0.449 990 N N -0.276 118.183 118.700 -0.402 0.000 2.421 990 N HA -0.050 4.689 4.740 -0.002 0.000 0.201 990 N C -0.925 174.503 175.510 -0.137 0.000 1.198 990 N CA 0.398 53.313 53.050 -0.225 0.000 0.838 990 N CB 0.321 38.711 38.487 -0.162 0.000 1.011 990 N HN 0.118 nan 8.380 nan 0.000 0.463 991 Y N -0.824 119.303 120.300 -0.289 0.000 2.677 991 Y HA 0.257 4.806 4.550 -0.002 0.000 0.334 991 Y C 0.730 176.514 175.900 -0.194 0.000 1.154 991 Y CA -0.859 57.095 58.100 -0.244 0.000 1.070 991 Y CB 0.451 38.727 38.460 -0.307 0.000 1.294 991 Y HN -0.267 nan 8.280 nan 0.000 0.475 992 L N 0.580 121.082 121.223 -1.201 0.000 1.961 992 L HA -0.047 4.292 4.340 -0.002 0.000 0.209 992 L C 0.535 177.207 176.870 -0.330 0.000 1.075 992 L CA 1.069 55.508 54.840 -0.667 0.000 0.749 992 L CB -0.581 41.060 42.059 -0.696 0.000 0.890 992 L HN 0.666 nan 8.230 nan 0.000 0.433 993 E N -0.160 119.919 120.200 -0.202 0.000 2.570 993 E HA 0.127 4.476 4.350 -0.002 0.000 0.274 993 E C -0.018 176.556 176.600 -0.044 0.000 1.073 993 E CA 0.540 56.926 56.400 -0.022 0.000 1.005 993 E CB 0.100 29.875 29.700 0.124 0.000 1.008 993 E HN 0.415 nan 8.360 nan 0.000 0.460 994 G N 0.000 108.777 108.800 -0.038 0.000 5.446 994 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 994 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 994 G CA 0.000 45.070 45.100 -0.051 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925