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 1iwo_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 0.000 176.218 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.086 55.300 -0.356 0.000 0.988 1 M CB 0.000 32.487 32.600 -0.188 0.000 1.302 2 E N 3.740 123.858 120.200 -0.137 0.000 2.716 2 E HA 0.390 4.989 4.350 0.414 0.000 0.379 2 E C -1.659 174.831 176.600 -0.184 0.000 0.969 2 E CA -0.198 56.016 56.400 -0.310 0.000 0.735 2 E CB 1.151 30.478 29.700 -0.622 0.000 1.498 2 E HN 0.826 nan 8.360 nan 0.000 0.395 3 A N 3.370 126.108 122.820 -0.137 0.000 2.541 3 A HA 0.523 5.092 4.320 0.414 0.000 0.293 3 A C 0.382 177.887 177.584 -0.131 0.000 1.307 3 A CA 0.642 52.636 52.037 -0.072 0.000 0.978 3 A CB -0.189 18.799 19.000 -0.019 0.000 1.111 3 A HN 0.600 nan 8.150 nan 0.000 0.535 4 A N 3.706 126.448 122.820 -0.130 0.000 3.317 4 A HA 0.484 5.052 4.320 0.414 0.000 0.307 4 A C 0.561 178.042 177.584 -0.171 0.000 1.003 4 A CA -0.325 51.595 52.037 -0.196 0.000 0.882 4 A CB -0.183 18.715 19.000 -0.170 0.000 1.136 4 A HN 0.965 nan 8.150 nan 0.000 0.488 5 H N -1.402 117.638 119.070 -0.050 0.000 2.539 5 H HA 0.213 5.018 4.556 0.414 0.000 0.269 5 H C 0.577 175.887 175.328 -0.031 0.000 0.980 5 H CA 0.947 56.968 56.048 -0.045 0.000 1.152 5 H CB 0.317 30.061 29.762 -0.031 0.000 1.407 5 H HN 0.364 nan 8.280 nan 0.000 0.564 6 S N 0.273 115.667 115.700 -0.510 0.000 2.475 6 S HA 0.066 4.785 4.470 0.414 0.000 0.224 6 S C 0.792 175.304 174.600 -0.147 0.000 1.042 6 S CA -0.226 57.796 58.200 -0.296 0.000 0.935 6 S CB 0.485 63.469 63.200 -0.361 0.000 0.801 6 S HN 0.216 nan 8.310 nan 0.000 0.509 7 K N 2.999 123.313 120.400 -0.142 0.000 2.258 7 K HA 0.254 4.823 4.320 0.414 0.000 0.264 7 K C 0.603 177.178 176.600 -0.041 0.000 1.007 7 K CA -0.012 56.231 56.287 -0.073 0.000 0.941 7 K CB 0.746 33.210 32.500 -0.060 0.000 0.966 7 K HN 0.372 nan 8.250 nan 0.000 0.480 8 S N 0.348 116.037 115.700 -0.017 0.000 2.634 8 S HA 0.068 4.787 4.470 0.414 0.000 0.261 8 S C 1.235 175.841 174.600 0.009 0.000 1.271 8 S CA -0.174 58.022 58.200 -0.005 0.000 0.985 8 S CB 0.745 63.945 63.200 -0.001 0.000 0.968 8 S HN 0.496 nan 8.310 nan 0.000 0.568 9 T N 1.517 116.078 114.554 0.011 0.000 2.759 9 T HA -0.080 4.518 4.350 0.414 0.000 0.269 9 T C 1.534 176.255 174.700 0.035 0.000 1.042 9 T CA 2.120 64.232 62.100 0.019 0.000 1.140 9 T CB -0.576 68.301 68.868 0.015 0.000 0.864 9 T HN 0.732 nan 8.240 nan 0.000 0.455 10 E N 1.323 121.542 120.200 0.032 0.000 2.006 10 E HA -0.069 4.530 4.350 0.414 0.000 0.192 10 E C 2.254 178.889 176.600 0.058 0.000 0.993 10 E CA 1.034 57.458 56.400 0.041 0.000 0.808 10 E CB -0.293 29.424 29.700 0.029 0.000 0.764 10 E HN 0.528 nan 8.360 nan 0.000 0.449 11 E N -0.109 120.120 120.200 0.049 0.000 2.208 11 E HA -0.268 4.331 4.350 0.414 0.000 0.202 11 E C 1.987 178.654 176.600 0.112 0.000 1.014 11 E CA 1.259 57.697 56.400 0.064 0.000 0.819 11 E CB -0.244 29.477 29.700 0.035 0.000 0.735 11 E HN 0.270 nan 8.360 nan 0.000 0.469 12 C N -0.060 119.304 119.300 0.107 0.000 2.518 12 C HA -0.017 4.692 4.460 0.414 0.000 0.279 12 C C 2.503 177.645 174.990 0.252 0.000 1.279 12 C CA 0.188 59.311 59.018 0.174 0.000 1.703 12 C CB -0.704 27.099 27.740 0.107 0.000 2.072 12 C HN 0.411 nan 8.230 nan 0.000 0.487 13 L N 0.896 122.217 121.223 0.163 0.000 2.265 13 L HA -0.144 4.445 4.340 0.414 0.000 0.215 13 L C 2.705 179.684 176.870 0.181 0.000 1.117 13 L CA 1.252 56.190 54.840 0.163 0.000 0.782 13 L CB -0.632 41.485 42.059 0.097 0.000 0.914 13 L HN 0.385 nan 8.230 nan 0.000 0.441 14 A N -0.250 122.663 122.820 0.155 0.000 1.825 14 A HA -0.283 4.286 4.320 0.414 0.000 0.214 14 A C 2.143 179.805 177.584 0.130 0.000 1.206 14 A CA 1.448 53.556 52.037 0.118 0.000 0.609 14 A CB -1.088 17.965 19.000 0.088 0.000 0.851 14 A HN 0.398 nan 8.150 nan 0.000 0.445 15 Y N -0.409 119.918 120.300 0.044 0.000 2.062 15 Y HA -0.329 4.470 4.550 0.414 0.000 0.273 15 Y C 1.917 177.764 175.900 -0.088 0.000 1.206 15 Y CA 2.517 60.590 58.100 -0.046 0.000 1.125 15 Y CB -0.589 37.817 38.460 -0.089 0.000 0.951 15 Y HN 0.267 nan 8.280 nan 0.000 0.501 16 F N 0.127 120.207 119.950 0.216 0.000 2.615 16 F HA 0.222 4.998 4.527 0.414 0.000 0.297 16 F C 1.622 177.494 175.800 0.120 0.000 1.124 16 F CA 0.803 58.905 58.000 0.170 0.000 1.451 16 F CB -0.402 38.747 39.000 0.247 0.000 1.103 16 F HN 0.174 nan 8.300 nan 0.000 0.569 17 G N 1.878 110.816 108.800 0.230 0.000 2.392 17 G HA2 -0.080 4.128 3.960 0.414 0.000 0.256 17 G HA3 -0.080 4.128 3.960 0.414 0.000 0.256 17 G C -0.746 174.253 174.900 0.166 0.000 0.920 17 G CA 0.125 45.311 45.100 0.145 0.000 1.316 17 G HN 0.230 nan 8.290 nan 0.000 0.416 18 V N 0.314 120.318 119.914 0.149 0.000 3.188 18 V HA 0.840 5.209 4.120 0.414 0.000 0.305 18 V C 0.229 176.369 176.094 0.076 0.000 1.232 18 V CA -0.418 61.950 62.300 0.112 0.000 1.043 18 V CB 2.227 34.122 31.823 0.120 0.000 1.068 18 V HN 1.081 nan 8.190 nan 0.000 0.439 19 S N 0.088 115.821 115.700 0.055 0.000 2.498 19 S HA 0.251 4.970 4.470 0.414 0.000 0.324 19 S C 0.828 175.453 174.600 0.041 0.000 1.071 19 S CA -0.298 57.926 58.200 0.041 0.000 1.113 19 S CB 0.857 64.072 63.200 0.026 0.000 0.976 19 S HN 0.930 nan 8.310 nan 0.000 0.462 20 E N 3.131 123.356 120.200 0.042 0.000 2.233 20 E HA -0.199 4.399 4.350 0.414 0.000 0.199 20 E C 1.461 178.089 176.600 0.046 0.000 1.004 20 E CA 2.036 58.464 56.400 0.047 0.000 0.819 20 E CB -0.050 29.674 29.700 0.040 0.000 0.738 20 E HN 0.861 nan 8.360 nan 0.000 0.478 21 T N -2.834 111.734 114.554 0.022 0.000 2.976 21 T HA -0.052 4.547 4.350 0.414 0.000 0.257 21 T C 2.058 176.742 174.700 -0.027 0.000 1.051 21 T CA 1.234 63.330 62.100 -0.006 0.000 1.141 21 T CB -0.232 68.629 68.868 -0.011 0.000 0.881 21 T HN 0.265 nan 8.240 nan 0.000 0.461 22 T N -1.109 113.441 114.554 -0.006 0.000 2.980 22 T HA 0.559 5.157 4.350 0.414 0.000 0.239 22 T C 1.422 176.132 174.700 0.017 0.000 1.011 22 T CA 0.692 62.785 62.100 -0.011 0.000 1.171 22 T CB -0.504 68.361 68.868 -0.005 0.000 0.873 22 T HN 1.214 nan 8.240 nan 0.000 0.431 23 G N 0.986 109.807 108.800 0.035 0.000 2.409 23 G HA2 0.082 4.290 3.960 0.414 0.000 0.421 23 G HA3 0.082 4.290 3.960 0.414 0.000 0.421 23 G C -1.247 173.675 174.900 0.036 0.000 1.259 23 G CA -0.622 44.510 45.100 0.053 0.000 1.011 23 G HN 0.642 nan 8.290 nan 0.000 0.497 24 L N 1.479 122.722 121.223 0.033 0.000 2.397 24 L HA 0.453 5.042 4.340 0.414 0.000 0.271 24 L C 1.618 178.484 176.870 -0.006 0.000 1.148 24 L CA -0.076 54.769 54.840 0.007 0.000 0.825 24 L CB 1.020 43.078 42.059 -0.002 0.000 1.117 24 L HN 0.918 nan 8.230 nan 0.000 0.456 25 T N -0.571 113.968 114.554 -0.025 0.000 2.919 25 T HA 0.138 4.737 4.350 0.414 0.000 0.302 25 T C -1.376 173.308 174.700 -0.028 0.000 1.031 25 T CA -1.622 60.465 62.100 -0.022 0.000 1.127 25 T CB 0.965 69.818 68.868 -0.026 0.000 0.952 25 T HN 0.504 nan 8.240 nan 0.000 0.540 26 P HA -0.218 nan 4.420 nan 0.000 0.219 26 P C 0.800 178.088 177.300 -0.021 0.000 1.145 26 P CA 1.528 64.622 63.100 -0.009 0.000 0.813 26 P CB 0.171 31.870 31.700 -0.002 0.000 0.771 27 D N -0.024 120.356 120.400 -0.033 0.000 2.110 27 D HA -0.142 4.747 4.640 0.414 0.000 0.202 27 D C 2.254 178.508 176.300 -0.077 0.000 0.975 27 D CA 1.081 55.056 54.000 -0.042 0.000 0.839 27 D CB -0.560 40.217 40.800 -0.039 0.000 0.996 27 D HN 0.073 nan 8.370 nan 0.000 0.464 28 Q N -0.227 119.495 119.800 -0.129 0.000 2.248 28 Q HA -0.137 4.452 4.340 0.414 0.000 0.208 28 Q C 2.305 178.137 176.000 -0.281 0.000 0.984 28 Q CA 1.107 56.732 55.803 -0.297 0.000 0.875 28 Q CB 0.044 28.558 28.738 -0.374 0.000 0.910 28 Q HN 0.266 nan 8.270 nan 0.000 0.433 29 V N 1.260 121.108 119.914 -0.109 0.000 2.237 29 V HA -0.313 4.055 4.120 0.414 0.000 0.245 29 V C 2.013 178.120 176.094 0.022 0.000 1.046 29 V CA 2.125 64.419 62.300 -0.010 0.000 1.007 29 V CB -0.532 31.298 31.823 0.012 0.000 0.638 29 V HN 0.340 nan 8.190 nan 0.000 0.445 30 K N 0.003 120.402 120.400 -0.002 0.000 1.991 30 K HA -0.253 4.316 4.320 0.414 0.000 0.212 30 K C 2.360 178.967 176.600 0.011 0.000 1.049 30 K CA 1.879 58.167 56.287 0.003 0.000 0.932 30 K CB -0.360 32.136 32.500 -0.007 0.000 0.717 30 K HN 0.154 nan 8.250 nan 0.000 0.441 31 R N 0.786 121.284 120.500 -0.003 0.000 2.094 31 R HA -0.165 4.424 4.340 0.414 0.000 0.239 31 R C 2.100 178.473 176.300 0.122 0.000 1.137 31 R CA 1.961 58.075 56.100 0.024 0.000 0.943 31 R CB -0.492 29.804 30.300 -0.007 0.000 0.850 31 R HN 0.479 nan 8.270 nan 0.000 0.433 32 H N -1.147 117.952 119.070 0.049 0.000 2.357 32 H HA -0.113 4.691 4.556 0.414 0.000 0.301 32 H C 1.967 177.364 175.328 0.114 0.000 1.082 32 H CA 0.954 57.077 56.048 0.125 0.000 1.342 32 H CB -0.021 29.915 29.762 0.289 0.000 1.389 32 H HN 0.123 nan 8.280 nan 0.000 0.511 33 L N 1.447 122.793 121.223 0.206 0.000 1.971 33 L HA -0.209 4.380 4.340 0.414 0.000 0.215 33 L C 1.869 178.742 176.870 0.005 0.000 1.072 33 L CA 1.812 56.703 54.840 0.085 0.000 0.758 33 L CB -0.227 41.833 42.059 0.002 0.000 0.889 33 L HN 0.082 nan 8.230 nan 0.000 0.433 34 E N -0.575 119.614 120.200 -0.019 0.000 2.338 34 E HA -0.157 4.441 4.350 0.414 0.000 0.197 34 E C 1.955 178.510 176.600 -0.074 0.000 1.007 34 E CA 0.483 56.853 56.400 -0.050 0.000 0.849 34 E CB -0.163 29.513 29.700 -0.040 0.000 0.774 34 E HN 0.289 nan 8.360 nan 0.000 0.506 35 K N -0.654 119.674 120.400 -0.121 0.000 2.078 35 K HA -0.009 4.560 4.320 0.414 0.000 0.203 35 K C 1.581 177.967 176.600 -0.356 0.000 1.043 35 K CA 1.113 57.216 56.287 -0.308 0.000 0.960 35 K CB -0.170 32.014 32.500 -0.527 0.000 0.761 35 K HN 0.241 nan 8.250 nan 0.000 0.448 36 Y N -0.560 119.761 120.300 0.035 0.000 2.186 36 Y HA 0.196 4.995 4.550 0.414 0.000 0.286 36 Y C 1.433 177.345 175.900 0.019 0.000 1.109 36 Y CA 0.586 58.706 58.100 0.033 0.000 1.099 36 Y CB 0.189 38.681 38.460 0.055 0.000 1.030 36 Y HN 0.293 nan 8.280 nan 0.000 0.495 37 G N -1.516 107.383 108.800 0.165 0.000 2.361 37 G HA2 -0.032 4.177 3.960 0.414 0.000 0.331 37 G HA3 -0.032 4.177 3.960 0.414 0.000 0.331 37 G C -1.779 173.158 174.900 0.061 0.000 1.324 37 G CA -1.118 44.015 45.100 0.055 0.000 0.984 37 G HN 0.144 nan 8.290 nan 0.000 0.586 38 H N 0.274 119.392 119.070 0.080 0.000 2.848 38 H HA 0.205 5.009 4.556 0.414 0.000 0.341 38 H C 0.887 176.250 175.328 0.059 0.000 1.060 38 H CA 0.436 56.522 56.048 0.064 0.000 1.444 38 H CB 1.145 30.935 29.762 0.046 0.000 1.446 38 H HN 0.528 nan 8.280 nan 0.000 0.583 39 N N 3.440 122.256 118.700 0.194 0.000 2.605 39 N HA 0.010 4.998 4.740 0.414 0.000 0.258 39 N C -0.752 174.807 175.510 0.082 0.000 1.156 39 N CA -0.144 52.970 53.050 0.108 0.000 1.008 39 N CB 0.003 38.533 38.487 0.072 0.000 1.354 39 N HN 0.747 nan 8.380 nan 0.000 0.509 40 E N 1.150 121.398 120.200 0.080 0.000 2.396 40 E HA 0.249 4.848 4.350 0.414 0.000 0.280 40 E C -1.688 174.944 176.600 0.054 0.000 1.065 40 E CA -0.956 55.476 56.400 0.053 0.000 0.831 40 E CB 0.234 29.954 29.700 0.032 0.000 1.272 40 E HN 0.038 nan 8.360 nan 0.000 0.443 41 L N 2.352 123.600 121.223 0.041 0.000 2.326 41 L HA 0.388 4.976 4.340 0.414 0.000 0.278 41 L C -2.046 174.843 176.870 0.032 0.000 1.092 41 L CA -2.105 52.758 54.840 0.038 0.000 0.810 41 L CB 0.245 42.326 42.059 0.035 0.000 1.153 41 L HN 0.480 nan 8.230 nan 0.000 0.439 42 P HA 0.013 nan 4.420 nan 0.000 0.257 42 P C -0.805 176.505 177.300 0.018 0.000 1.189 42 P CA -0.165 62.952 63.100 0.028 0.000 0.780 42 P CB 0.299 32.015 31.700 0.028 0.000 0.772 43 A N 3.885 126.713 122.820 0.013 0.000 2.404 43 A HA 0.335 4.904 4.320 0.414 0.000 0.273 43 A C 0.342 177.928 177.584 0.003 0.000 1.144 43 A CA 0.048 52.087 52.037 0.004 0.000 0.806 43 A CB 0.010 19.009 19.000 -0.002 0.000 1.080 43 A HN 0.481 nan 8.150 nan 0.000 0.509 44 E N 1.634 121.834 120.200 -0.000 0.000 2.290 44 E HA 0.473 5.071 4.350 0.414 0.000 0.274 44 E C -1.213 175.383 176.600 -0.007 0.000 0.889 44 E CA -0.242 56.157 56.400 -0.001 0.000 0.760 44 E CB 1.560 31.261 29.700 0.002 0.000 1.206 44 E HN 0.648 nan 8.360 nan 0.000 0.419 45 E N 1.192 121.387 120.200 -0.008 0.000 3.632 45 E HA 0.188 4.787 4.350 0.414 0.000 0.149 45 E C 0.001 176.595 176.600 -0.010 0.000 0.970 45 E CA -0.061 56.331 56.400 -0.014 0.000 1.498 45 E CB 0.893 30.581 29.700 -0.020 0.000 1.095 45 E HN 0.483 nan 8.360 nan 0.000 0.399 46 G N 1.707 110.505 108.800 -0.004 0.000 3.084 46 G HA2 -0.092 4.117 3.960 0.414 0.000 0.254 46 G HA3 -0.092 4.117 3.960 0.414 0.000 0.254 46 G C 0.171 175.071 174.900 0.001 0.000 0.834 46 G CA 0.199 45.301 45.100 0.003 0.000 1.999 46 G HN -0.072 nan 8.290 nan 0.000 0.611 47 K N 1.521 121.918 120.400 -0.005 0.000 2.459 47 K HA 0.256 4.825 4.320 0.414 0.000 0.218 47 K C 0.639 177.239 176.600 0.001 0.000 1.067 47 K CA -0.452 55.829 56.287 -0.011 0.000 1.045 47 K CB 0.222 32.707 32.500 -0.025 0.000 1.623 47 K HN 0.343 nan 8.250 nan 0.000 0.509 48 S N 2.110 117.826 115.700 0.026 0.000 2.572 48 S HA 0.010 4.728 4.470 0.414 0.000 0.279 48 S C 1.369 176.011 174.600 0.071 0.000 1.341 48 S CA -0.694 57.542 58.200 0.061 0.000 1.043 48 S CB 1.078 64.345 63.200 0.112 0.000 0.887 48 S HN 0.686 nan 8.310 nan 0.000 0.516 49 L N 2.930 124.207 121.223 0.090 0.000 2.043 49 L HA -0.120 4.469 4.340 0.414 0.000 0.212 49 L C 2.183 179.157 176.870 0.173 0.000 1.075 49 L CA 1.888 56.791 54.840 0.104 0.000 0.752 49 L CB -0.335 41.791 42.059 0.111 0.000 0.891 49 L HN 0.979 nan 8.230 nan 0.000 0.432 50 W N 1.048 122.360 121.300 0.021 0.000 2.322 50 W HA -0.300 4.608 4.660 0.414 0.000 0.326 50 W C 2.123 178.662 176.519 0.032 0.000 1.224 50 W CA 1.874 59.236 57.345 0.028 0.000 1.257 50 W CB -0.351 29.120 29.460 0.018 0.000 1.174 50 W HN 0.172 nan 8.180 nan 0.000 0.460 51 E N 0.545 120.613 120.200 -0.221 0.000 2.130 51 E HA -0.301 4.298 4.350 0.414 0.000 0.196 51 E C 1.972 178.417 176.600 -0.259 0.000 0.998 51 E CA 1.805 57.987 56.400 -0.363 0.000 0.806 51 E CB -0.541 29.092 29.700 -0.111 0.000 0.738 51 E HN 0.161 nan 8.360 nan 0.000 0.459 52 L N 0.332 121.479 121.223 -0.127 0.000 1.970 52 L HA -0.205 4.384 4.340 0.414 0.000 0.212 52 L C 2.228 179.033 176.870 -0.108 0.000 1.071 52 L CA 1.605 56.393 54.840 -0.086 0.000 0.751 52 L CB -0.661 41.380 42.059 -0.029 0.000 0.889 52 L HN 0.007 nan 8.230 nan 0.000 0.432 53 V N 0.049 119.907 119.914 -0.092 0.000 2.469 53 V HA -0.300 4.069 4.120 0.414 0.000 0.251 53 V C 2.487 178.526 176.094 -0.092 0.000 1.064 53 V CA 1.507 63.772 62.300 -0.058 0.000 1.066 53 V CB -0.757 31.089 31.823 0.038 0.000 0.667 53 V HN 0.389 nan 8.190 nan 0.000 0.461 54 I N 0.128 120.524 120.570 -0.289 0.000 2.252 54 I HA -0.170 4.249 4.170 0.414 0.000 0.245 54 I C 2.480 178.526 176.117 -0.119 0.000 1.102 54 I CA 1.292 62.430 61.300 -0.271 0.000 1.385 54 I CB -1.408 36.241 38.000 -0.585 0.000 1.064 54 I HN 0.430 nan 8.210 nan 0.000 0.414 55 E N 0.722 120.832 120.200 -0.151 0.000 2.219 55 E HA -0.215 4.383 4.350 0.414 0.000 0.198 55 E C 0.994 177.532 176.600 -0.103 0.000 0.998 55 E CA 0.753 57.089 56.400 -0.106 0.000 0.818 55 E CB -0.057 29.584 29.700 -0.099 0.000 0.741 55 E HN 0.511 nan 8.360 nan 0.000 0.477 56 Q N -0.590 119.124 119.800 -0.144 0.000 2.294 56 Q HA 0.085 4.674 4.340 0.414 0.000 0.256 56 Q C -0.429 175.276 176.000 -0.491 0.000 0.907 56 Q CA 0.325 55.961 55.803 -0.278 0.000 0.954 56 Q CB 0.094 28.640 28.738 -0.319 0.000 1.102 56 Q HN 0.217 nan 8.270 nan 0.000 0.429 57 F N -1.202 118.690 119.950 -0.098 0.000 2.769 57 F HA 0.171 4.946 4.527 0.413 0.000 0.341 57 F C 1.192 176.941 175.800 -0.087 0.000 1.279 57 F CA -0.339 57.606 58.000 -0.091 0.000 1.037 57 F CB 0.746 39.683 39.000 -0.105 0.000 1.333 57 F HN 0.082 nan 8.300 nan 0.000 0.505 58 E N -0.073 120.159 120.200 0.052 0.000 2.413 58 E HA -0.009 4.589 4.350 0.414 0.000 0.203 58 E C -0.032 176.566 176.600 -0.003 0.000 0.957 58 E CA 0.082 56.491 56.400 0.015 0.000 0.950 58 E CB 0.380 30.070 29.700 -0.016 0.000 0.957 58 E HN 0.258 nan 8.360 nan 0.000 0.497 59 D N 0.841 121.230 120.400 -0.017 0.000 2.363 59 D HA -0.034 4.855 4.640 0.414 0.000 0.263 59 D C 1.438 177.723 176.300 -0.025 0.000 1.258 59 D CA 0.055 54.037 54.000 -0.031 0.000 0.907 59 D CB 0.528 41.298 40.800 -0.049 0.000 1.107 59 D HN 0.086 nan 8.370 nan 0.000 0.495 60 L N 3.417 124.618 121.223 -0.037 0.000 2.082 60 L HA -0.348 4.241 4.340 0.414 0.000 0.223 60 L C 2.220 179.058 176.870 -0.054 0.000 1.086 60 L CA 1.312 56.123 54.840 -0.048 0.000 0.793 60 L CB -0.541 41.477 42.059 -0.070 0.000 0.896 60 L HN 0.661 nan 8.230 nan 0.000 0.441 61 L N -0.567 120.614 121.223 -0.069 0.000 1.971 61 L HA -0.225 4.363 4.340 0.414 0.000 0.215 61 L C 2.640 179.488 176.870 -0.035 0.000 1.072 61 L CA 1.814 56.611 54.840 -0.073 0.000 0.758 61 L CB -0.980 41.032 42.059 -0.078 0.000 0.889 61 L HN 0.312 nan 8.230 nan 0.000 0.433 62 V N -2.395 117.508 119.914 -0.018 0.000 2.720 62 V HA -0.220 4.149 4.120 0.414 0.000 0.256 62 V C 2.417 178.573 176.094 0.102 0.000 1.082 62 V CA 1.416 63.731 62.300 0.025 0.000 1.101 62 V CB -0.829 30.975 31.823 -0.032 0.000 0.693 62 V HN 0.373 nan 8.190 nan 0.000 0.479 63 R N -0.312 120.226 120.500 0.064 0.000 2.075 63 R HA 0.124 4.713 4.340 0.414 0.000 0.226 63 R C 2.404 178.701 176.300 -0.005 0.000 1.114 63 R CA 1.542 57.669 56.100 0.046 0.000 0.972 63 R CB -0.316 29.991 30.300 0.013 0.000 0.869 63 R HN 0.389 nan 8.270 nan 0.000 0.437 64 I N 1.383 121.937 120.570 -0.027 0.000 2.163 64 I HA -0.286 4.133 4.170 0.414 0.000 0.243 64 I C 2.291 178.384 176.117 -0.040 0.000 1.085 64 I CA 1.616 62.886 61.300 -0.050 0.000 1.347 64 I CB -0.926 37.032 38.000 -0.070 0.000 1.044 64 I HN 0.233 nan 8.210 nan 0.000 0.408 65 L N -0.337 120.874 121.223 -0.019 0.000 2.079 65 L HA -0.249 4.340 4.340 0.414 0.000 0.210 65 L C 2.630 179.496 176.870 -0.006 0.000 1.081 65 L CA 0.880 55.716 54.840 -0.008 0.000 0.752 65 L CB -0.697 41.368 42.059 0.011 0.000 0.896 65 L HN 0.228 nan 8.230 nan 0.000 0.433 66 L N 0.169 121.393 121.223 0.001 0.000 1.956 66 L HA -0.254 4.335 4.340 0.414 0.000 0.216 66 L C 2.417 179.249 176.870 -0.063 0.000 1.073 66 L CA 1.762 56.577 54.840 -0.041 0.000 0.762 66 L CB -0.648 41.365 42.059 -0.077 0.000 0.889 66 L HN 0.142 nan 8.230 nan 0.000 0.433 67 L N -0.413 120.771 121.223 -0.064 0.000 2.261 67 L HA -0.121 4.467 4.340 0.414 0.000 0.216 67 L C 2.230 179.062 176.870 -0.063 0.000 1.114 67 L CA 1.965 56.762 54.840 -0.071 0.000 0.777 67 L CB -0.870 41.141 42.059 -0.080 0.000 0.910 67 L HN 0.309 nan 8.230 nan 0.000 0.440 68 A N -1.110 121.679 122.820 -0.051 0.000 2.072 68 A HA 0.269 4.838 4.320 0.414 0.000 0.216 68 A C 2.315 179.896 177.584 -0.004 0.000 1.156 68 A CA 0.919 52.933 52.037 -0.038 0.000 0.701 68 A CB -0.647 18.332 19.000 -0.036 0.000 0.816 68 A HN 0.506 nan 8.150 nan 0.000 0.458 69 A N -1.395 121.420 122.820 -0.007 0.000 2.081 69 A HA 0.079 4.648 4.320 0.414 0.000 0.214 69 A C 2.064 179.673 177.584 0.041 0.000 1.158 69 A CA 1.120 53.166 52.037 0.015 0.000 0.724 69 A CB -0.822 18.165 19.000 -0.021 0.000 0.826 69 A HN 0.531 nan 8.150 nan 0.000 0.463 70 C N -0.233 119.071 119.300 0.007 0.000 2.610 70 C HA -0.032 4.677 4.460 0.414 0.000 0.285 70 C C 2.486 177.545 174.990 0.114 0.000 1.267 70 C CA 0.715 59.755 59.018 0.036 0.000 1.716 70 C CB -0.983 26.747 27.740 -0.016 0.000 2.117 70 C HN 0.587 nan 8.230 nan 0.000 0.481 71 I N 1.656 122.274 120.570 0.081 0.000 2.074 71 I HA -0.284 4.135 4.170 0.414 0.000 0.238 71 I C 2.723 178.931 176.117 0.152 0.000 1.037 71 I CA 2.442 63.824 61.300 0.137 0.000 1.301 71 I CB -1.968 36.078 38.000 0.076 0.000 1.016 71 I HN 0.456 nan 8.210 nan 0.000 0.400 72 S N 0.704 116.477 115.700 0.121 0.000 2.372 72 S HA -0.293 4.425 4.470 0.414 0.000 0.227 72 S C 2.161 176.831 174.600 0.116 0.000 1.044 72 S CA 1.934 60.206 58.200 0.120 0.000 1.050 72 S CB -0.731 62.530 63.200 0.103 0.000 0.901 72 S HN 0.375 nan 8.310 nan 0.000 0.447 73 F N 1.528 121.452 119.950 -0.044 0.000 2.161 73 F HA -0.020 4.754 4.527 0.411 0.000 0.300 73 F C 2.101 177.865 175.800 -0.060 0.000 1.089 73 F CA 1.550 59.465 58.000 -0.141 0.000 1.282 73 F CB -0.238 38.673 39.000 -0.148 0.000 1.010 73 F HN 0.129 nan 8.300 nan 0.000 0.485 74 V N -0.703 119.296 119.914 0.141 0.000 3.052 74 V HA -0.150 4.219 4.120 0.414 0.000 0.254 74 V C 1.985 178.213 176.094 0.223 0.000 1.100 74 V CA 0.695 63.083 62.300 0.146 0.000 1.112 74 V CB -0.172 31.710 31.823 0.099 0.000 0.738 74 V HN 0.200 nan 8.190 nan 0.000 0.469 75 L N 0.557 121.892 121.223 0.187 0.000 2.217 75 L HA 0.116 4.705 4.340 0.414 0.000 0.211 75 L C 2.304 179.325 176.870 0.251 0.000 1.107 75 L CA 1.791 56.762 54.840 0.219 0.000 0.783 75 L CB -0.692 41.481 42.059 0.190 0.000 0.919 75 L HN 0.288 nan 8.230 nan 0.000 0.442 76 A N -2.193 120.756 122.820 0.216 0.000 2.251 76 A HA -0.113 4.455 4.320 0.414 0.000 0.209 76 A C 1.863 179.766 177.584 0.531 0.000 1.187 76 A CA 0.050 52.274 52.037 0.312 0.000 0.823 76 A CB -0.721 18.444 19.000 0.275 0.000 0.846 76 A HN 0.649 nan 8.150 nan 0.000 0.486 77 W N -1.629 119.822 121.300 0.252 0.000 2.915 77 W HA 0.285 5.192 4.660 0.412 0.000 0.276 77 W C -1.057 175.634 176.519 0.287 0.000 1.215 77 W CA 0.052 57.564 57.345 0.279 0.000 1.514 77 W CB 0.405 30.000 29.460 0.224 0.000 1.017 77 W HN 0.209 nan 8.180 nan 0.000 0.598 78 F N 3.178 123.252 119.950 0.206 0.000 2.387 78 F HA 0.358 5.133 4.527 0.413 0.000 0.332 78 F C -0.434 175.393 175.800 0.045 0.000 1.174 78 F CA 0.020 58.081 58.000 0.101 0.000 1.257 78 F CB -0.191 38.902 39.000 0.156 0.000 1.569 78 F HN -0.242 nan 8.300 nan 0.000 0.554 79 E N 1.139 121.322 120.200 -0.030 0.000 2.366 79 E HA 0.236 4.835 4.350 0.414 0.000 0.278 79 E C -1.096 175.430 176.600 -0.123 0.000 0.923 79 E CA -0.974 55.408 56.400 -0.030 0.000 0.761 79 E CB 2.622 32.337 29.700 0.025 0.000 1.231 79 E HN 0.432 nan 8.360 nan 0.000 0.443 80 E N 1.092 121.237 120.200 -0.092 0.000 2.204 80 E HA 0.716 5.314 4.350 0.414 0.000 0.276 80 E C 0.161 176.710 176.600 -0.085 0.000 0.974 80 E CA -0.823 55.511 56.400 -0.110 0.000 0.815 80 E CB 1.715 31.361 29.700 -0.090 0.000 1.119 80 E HN 0.676 nan 8.360 nan 0.000 0.393 81 G N 2.074 110.815 108.800 -0.099 0.000 2.459 81 G HA2 -0.182 4.027 3.960 0.414 0.000 0.685 81 G HA3 -0.182 4.027 3.960 0.414 0.000 0.685 81 G C 0.234 175.075 174.900 -0.098 0.000 1.303 81 G CA -0.140 44.911 45.100 -0.082 0.000 0.907 81 G HN 0.625 nan 8.290 nan 0.000 0.632 82 E N -0.261 119.887 120.200 -0.086 0.000 2.358 82 E HA -0.048 4.550 4.350 0.414 0.000 0.195 82 E C 1.225 177.767 176.600 -0.097 0.000 1.010 82 E CA 1.617 57.961 56.400 -0.095 0.000 0.856 82 E CB -0.026 29.627 29.700 -0.078 0.000 0.795 82 E HN 0.744 nan 8.360 nan 0.000 0.504 83 E N 0.784 120.936 120.200 -0.079 0.000 2.403 83 E HA 0.038 4.637 4.350 0.414 0.000 0.188 83 E C 1.178 177.733 176.600 -0.073 0.000 1.056 83 E CA 0.344 56.702 56.400 -0.070 0.000 0.892 83 E CB 0.412 30.085 29.700 -0.045 0.000 1.049 83 E HN 0.077 nan 8.360 nan 0.000 0.465 84 T N -0.100 114.393 114.554 -0.103 0.000 3.160 84 T HA 0.008 4.606 4.350 0.414 0.000 0.257 84 T C 1.305 175.908 174.700 -0.162 0.000 1.147 84 T CA 0.415 62.453 62.100 -0.104 0.000 1.064 84 T CB -0.143 68.639 68.868 -0.142 0.000 0.949 84 T HN 0.221 nan 8.240 nan 0.000 0.526 85 I N 0.672 121.119 120.570 -0.205 0.000 3.427 85 I HA 0.167 4.586 4.170 0.414 0.000 0.288 85 I C 1.809 177.820 176.117 -0.177 0.000 1.249 85 I CA 0.883 61.991 61.300 -0.321 0.000 1.421 85 I CB 0.085 37.909 38.000 -0.293 0.000 1.086 85 I HN 0.061 nan 8.210 nan 0.000 0.448 86 T N 0.712 115.218 114.554 -0.079 0.000 3.148 86 T HA 0.198 4.797 4.350 0.414 0.000 0.253 86 T C 1.570 176.300 174.700 0.049 0.000 1.134 86 T CA 0.743 62.831 62.100 -0.021 0.000 1.051 86 T CB -0.202 68.648 68.868 -0.029 0.000 0.959 86 T HN 0.389 nan 8.240 nan 0.000 0.525 87 A N -0.024 122.857 122.820 0.102 0.000 2.238 87 A HA 0.399 4.968 4.320 0.414 0.000 0.210 87 A C 1.421 179.213 177.584 0.348 0.000 1.179 87 A CA -0.093 52.061 52.037 0.195 0.000 0.827 87 A CB -0.573 18.545 19.000 0.197 0.000 0.856 87 A HN 0.577 nan 8.150 nan 0.000 0.488 88 F N -0.622 119.340 119.950 0.019 0.000 2.811 88 F HA -0.022 4.752 4.527 0.412 0.000 0.301 88 F C 1.821 177.698 175.800 0.127 0.000 1.151 88 F CA -0.235 57.794 58.000 0.048 0.000 1.412 88 F CB 0.347 39.355 39.000 0.013 0.000 1.113 88 F HN 0.060 nan 8.300 nan 0.000 0.579 89 V N 0.108 120.178 119.914 0.260 0.000 2.229 89 V HA -0.302 4.066 4.120 0.414 0.000 0.243 89 V C 2.331 178.558 176.094 0.222 0.000 1.042 89 V CA 2.162 64.596 62.300 0.224 0.000 1.000 89 V CB -0.718 31.163 31.823 0.097 0.000 0.637 89 V HN 0.359 nan 8.190 nan 0.000 0.446 90 E N 1.290 121.579 120.200 0.149 0.000 2.082 90 E HA -0.273 4.326 4.350 0.414 0.000 0.215 90 E C 0.032 176.711 176.600 0.131 0.000 1.048 90 E CA 2.662 59.135 56.400 0.122 0.000 0.869 90 E CB -1.194 28.569 29.700 0.106 0.000 0.773 90 E HN 0.520 nan 8.360 nan 0.000 0.466 91 P HA -0.191 nan 4.420 nan 0.000 0.214 91 P C 1.680 179.100 177.300 0.199 0.000 1.163 91 P CA 1.378 64.580 63.100 0.170 0.000 0.883 91 P CB -0.509 31.310 31.700 0.198 0.000 0.788 92 F N 1.488 121.515 119.950 0.128 0.000 2.154 92 F HA -0.208 4.566 4.527 0.412 0.000 0.301 92 F C 1.909 177.767 175.800 0.096 0.000 1.087 92 F CA 1.319 59.395 58.000 0.126 0.000 1.274 92 F CB -1.224 37.861 39.000 0.141 0.000 1.009 92 F HN -0.295 nan 8.300 nan 0.000 0.485 93 V N 1.254 121.124 119.914 -0.072 0.000 2.216 93 V HA -0.332 4.036 4.120 0.414 0.000 0.243 93 V C 2.478 178.473 176.094 -0.165 0.000 1.044 93 V CA 2.243 64.432 62.300 -0.184 0.000 0.995 93 V CB -0.923 30.907 31.823 0.013 0.000 0.633 93 V HN 0.386 nan 8.190 nan 0.000 0.446 94 I N -0.075 120.469 120.570 -0.043 0.000 2.109 94 I HA -0.401 4.017 4.170 0.414 0.000 0.233 94 I C 2.485 178.570 176.117 -0.055 0.000 1.005 94 I CA 2.236 63.521 61.300 -0.025 0.000 1.294 94 I CB -0.777 37.231 38.000 0.014 0.000 1.005 94 I HN 0.253 nan 8.210 nan 0.000 0.392 95 L N -0.004 121.190 121.223 -0.048 0.000 2.103 95 L HA -0.298 4.290 4.340 0.414 0.000 0.215 95 L C 2.626 179.446 176.870 -0.084 0.000 1.080 95 L CA 1.409 56.224 54.840 -0.042 0.000 0.764 95 L CB -0.596 41.444 42.059 -0.031 0.000 0.890 95 L HN 0.390 nan 8.230 nan 0.000 0.435 96 L N -0.435 120.642 121.223 -0.244 0.000 2.046 96 L HA -0.255 4.333 4.340 0.414 0.000 0.208 96 L C 2.476 179.261 176.870 -0.141 0.000 1.077 96 L CA 1.514 56.179 54.840 -0.292 0.000 0.747 96 L CB -0.131 41.560 42.059 -0.614 0.000 0.896 96 L HN 0.254 nan 8.230 nan 0.000 0.432 97 I N -0.651 119.851 120.570 -0.113 0.000 2.315 97 I HA -0.323 4.095 4.170 0.414 0.000 0.248 97 I C 2.366 178.458 176.117 -0.042 0.000 1.117 97 I CA 1.035 62.296 61.300 -0.065 0.000 1.404 97 I CB -0.115 37.857 38.000 -0.047 0.000 1.071 97 I HN 0.247 nan 8.210 nan 0.000 0.419 98 L N 0.331 121.552 121.223 -0.004 0.000 2.083 98 L HA -0.217 4.372 4.340 0.414 0.000 0.209 98 L C 2.427 179.325 176.870 0.046 0.000 1.083 98 L CA 1.409 56.283 54.840 0.056 0.000 0.752 98 L CB -0.306 41.879 42.059 0.210 0.000 0.899 98 L HN 0.223 nan 8.230 nan 0.000 0.433 99 I N -0.449 120.154 120.570 0.055 0.000 2.141 99 I HA -0.238 4.181 4.170 0.414 0.000 0.236 99 I C 2.785 178.897 176.117 -0.008 0.000 1.071 99 I CA 1.072 62.406 61.300 0.056 0.000 1.345 99 I CB -0.566 37.464 38.000 0.051 0.000 1.066 99 I HN 0.154 nan 8.210 nan 0.000 0.406 100 A N 1.180 123.982 122.820 -0.030 0.000 1.997 100 A HA -0.335 4.234 4.320 0.414 0.000 0.221 100 A C 1.942 179.491 177.584 -0.059 0.000 1.172 100 A CA 2.632 54.643 52.037 -0.044 0.000 0.645 100 A CB -1.189 17.782 19.000 -0.049 0.000 0.813 100 A HN 0.626 nan 8.150 nan 0.000 0.454 101 N N 0.256 118.906 118.700 -0.083 0.000 2.022 101 N HA -0.087 4.901 4.740 0.414 0.000 0.194 101 N C 1.805 177.230 175.510 -0.141 0.000 1.057 101 N CA 2.663 55.638 53.050 -0.124 0.000 0.849 101 N CB -0.619 37.759 38.487 -0.181 0.000 1.044 101 N HN 0.330 nan 8.380 nan 0.000 0.424 102 A N 0.640 123.340 122.820 -0.200 0.000 1.917 102 A HA -0.152 4.417 4.320 0.414 0.000 0.219 102 A C 2.400 179.960 177.584 -0.040 0.000 1.182 102 A CA 1.717 53.648 52.037 -0.178 0.000 0.633 102 A CB -1.125 17.779 19.000 -0.161 0.000 0.819 102 A HN 0.506 nan 8.150 nan 0.000 0.448 103 I N -0.436 120.131 120.570 -0.004 0.000 2.068 103 I HA -0.323 4.096 4.170 0.414 0.000 0.238 103 I C 2.367 178.535 176.117 0.085 0.000 1.046 103 I CA 1.912 63.241 61.300 0.049 0.000 1.306 103 I CB -0.831 37.163 38.000 -0.011 0.000 1.023 103 I HN 0.196 nan 8.210 nan 0.000 0.399 104 V N 1.312 121.242 119.914 0.028 0.000 2.282 104 V HA -0.285 4.084 4.120 0.414 0.000 0.249 104 V C 2.577 178.713 176.094 0.071 0.000 1.057 104 V CA 2.316 64.648 62.300 0.054 0.000 1.032 104 V CB -1.662 30.161 31.823 -0.000 0.000 0.645 104 V HN 0.668 nan 8.190 nan 0.000 0.447 105 G N -0.770 108.035 108.800 0.008 0.000 2.470 105 G HA2 -0.162 4.047 3.960 0.414 0.000 0.220 105 G HA3 -0.162 4.047 3.960 0.414 0.000 0.220 105 G C 1.513 176.423 174.900 0.018 0.000 1.121 105 G CA 1.196 46.289 45.100 -0.012 0.000 0.766 105 G HN 0.446 nan 8.290 nan 0.000 0.553 106 V N -1.076 118.880 119.914 0.069 0.000 2.992 106 V HA 0.082 4.451 4.120 0.414 0.000 0.250 106 V C 1.936 178.093 176.094 0.106 0.000 1.090 106 V CA 0.311 62.658 62.300 0.078 0.000 1.101 106 V CB -0.258 31.636 31.823 0.117 0.000 0.743 106 V HN 0.587 nan 8.190 nan 0.000 0.468 107 W N 0.706 121.993 121.300 -0.021 0.000 3.077 107 W HA -0.003 4.910 4.660 0.422 0.000 0.245 107 W C 1.955 178.465 176.519 -0.016 0.000 1.316 107 W CA 0.946 58.283 57.345 -0.013 0.000 1.537 107 W CB 0.313 29.767 29.460 -0.010 0.000 1.131 107 W HN 0.405 nan 8.180 nan 0.000 0.695 108 Q N -0.039 119.803 119.800 0.070 0.000 2.387 108 Q HA -0.097 4.492 4.340 0.414 0.000 0.208 108 Q C 1.727 177.700 176.000 -0.046 0.000 0.935 108 Q CA 0.533 56.346 55.803 0.017 0.000 0.891 108 Q CB -0.004 28.750 28.738 0.027 0.000 1.007 108 Q HN -0.074 nan 8.270 nan 0.000 0.548 109 E N 0.954 121.123 120.200 -0.051 0.000 2.331 109 E HA -0.201 4.398 4.350 0.414 0.000 0.199 109 E C 1.712 178.247 176.600 -0.107 0.000 1.008 109 E CA 0.679 57.038 56.400 -0.068 0.000 0.843 109 E CB -0.104 29.561 29.700 -0.058 0.000 0.761 109 E HN 0.322 nan 8.360 nan 0.000 0.507 110 R N 1.345 121.741 120.500 -0.174 0.000 2.073 110 R HA -0.069 4.520 4.340 0.414 0.000 0.229 110 R C 1.472 177.661 176.300 -0.185 0.000 1.120 110 R CA 1.509 57.462 56.100 -0.245 0.000 0.967 110 R CB 0.121 30.131 30.300 -0.483 0.000 0.862 110 R HN 0.178 nan 8.270 nan 0.000 0.436 111 N N -0.092 118.516 118.700 -0.154 0.000 2.254 111 N HA 0.020 5.009 4.740 0.414 0.000 0.190 111 N C -0.248 175.223 175.510 -0.065 0.000 1.107 111 N CA 0.315 53.304 53.050 -0.100 0.000 0.869 111 N CB 0.495 38.934 38.487 -0.079 0.000 0.983 111 N HN 0.058 nan 8.380 nan 0.000 0.487 112 A N 1.773 124.555 122.820 -0.063 0.000 2.770 112 A HA 0.172 4.740 4.320 0.414 0.000 0.292 112 A C -0.085 177.473 177.584 -0.043 0.000 1.604 112 A CA -0.342 51.668 52.037 -0.044 0.000 1.271 112 A CB -0.771 18.205 19.000 -0.040 0.000 1.075 112 A HN 0.403 nan 8.150 nan 0.000 0.573 113 E N 2.427 122.603 120.200 -0.039 0.000 2.349 113 E HA 0.422 5.021 4.350 0.414 0.000 0.265 113 E C -0.026 176.556 176.600 -0.030 0.000 1.064 113 E CA -0.770 55.608 56.400 -0.037 0.000 0.886 113 E CB 0.700 30.376 29.700 -0.039 0.000 1.036 113 E HN 0.648 nan 8.360 nan 0.000 0.413 114 N N 0.596 119.279 118.700 -0.028 0.000 2.432 114 N HA 0.412 5.401 4.740 0.414 0.000 0.292 114 N C -0.053 175.447 175.510 -0.016 0.000 1.193 114 N CA -0.607 52.430 53.050 -0.020 0.000 0.878 114 N CB 1.584 40.059 38.487 -0.019 0.000 1.252 114 N HN 0.488 nan 8.380 nan 0.000 0.520 115 A N 0.671 123.487 122.820 -0.007 0.000 1.897 115 A HA 0.041 4.610 4.320 0.414 0.000 0.215 115 A C 2.086 179.677 177.584 0.011 0.000 1.181 115 A CA 0.647 52.686 52.037 0.004 0.000 0.620 115 A CB -0.773 18.235 19.000 0.012 0.000 0.821 115 A HN 0.699 nan 8.150 nan 0.000 0.443 116 I N -0.026 120.549 120.570 0.007 0.000 2.248 116 I HA -0.296 4.122 4.170 0.414 0.000 0.248 116 I C 2.513 178.633 176.117 0.006 0.000 1.107 116 I CA 1.867 63.175 61.300 0.013 0.000 1.373 116 I CB -0.344 37.660 38.000 0.006 0.000 1.055 116 I HN 0.563 nan 8.210 nan 0.000 0.418 117 E N 1.453 121.647 120.200 -0.010 0.000 2.265 117 E HA -0.231 4.368 4.350 0.414 0.000 0.196 117 E C 2.145 178.720 176.600 -0.042 0.000 0.996 117 E CA 1.193 57.579 56.400 -0.024 0.000 0.832 117 E CB 0.099 29.780 29.700 -0.032 0.000 0.756 117 E HN 0.531 nan 8.360 nan 0.000 0.491 118 A N 1.069 123.865 122.820 -0.041 0.000 1.898 118 A HA -0.065 4.504 4.320 0.414 0.000 0.214 118 A C 2.110 179.628 177.584 -0.110 0.000 1.183 118 A CA 0.454 52.433 52.037 -0.097 0.000 0.622 118 A CB -0.326 18.635 19.000 -0.065 0.000 0.824 118 A HN 0.254 nan 8.150 nan 0.000 0.444 119 L N 0.336 121.590 121.223 0.051 0.000 2.021 119 L HA -0.239 4.350 4.340 0.414 0.000 0.215 119 L C 2.246 179.176 176.870 0.100 0.000 1.074 119 L CA 2.244 57.201 54.840 0.195 0.000 0.760 119 L CB -1.435 40.711 42.059 0.144 0.000 0.889 119 L HN 0.451 nan 8.230 nan 0.000 0.433 120 K N -0.145 120.269 120.400 0.024 0.000 2.228 120 K HA -0.189 4.380 4.320 0.414 0.000 0.205 120 K C 1.473 178.052 176.600 -0.035 0.000 1.045 120 K CA 1.022 57.312 56.287 0.004 0.000 0.931 120 K CB -0.033 32.460 32.500 -0.012 0.000 0.727 120 K HN 0.399 nan 8.250 nan 0.000 0.458 121 E N -0.529 119.597 120.200 -0.125 0.000 2.494 121 E HA -0.078 4.520 4.350 0.414 0.000 0.193 121 E C 0.798 177.240 176.600 -0.263 0.000 1.074 121 E CA 0.686 56.961 56.400 -0.209 0.000 0.867 121 E CB 0.029 29.552 29.700 -0.293 0.000 0.924 121 E HN 0.529 nan 8.360 nan 0.000 0.502 122 Y N 1.236 121.534 120.300 -0.005 0.000 2.498 122 Y HA 0.062 4.860 4.550 0.415 0.000 0.259 122 Y C 0.811 176.711 175.900 0.001 0.000 1.086 122 Y CA -0.382 57.717 58.100 -0.002 0.000 1.287 122 Y CB 0.742 39.202 38.460 -0.001 0.000 1.146 122 Y HN -0.027 nan 8.280 nan 0.000 0.523 123 E N 3.314 123.599 120.200 0.142 0.000 2.194 123 E HA 0.212 4.810 4.350 0.414 0.000 0.284 123 E C -2.551 174.077 176.600 0.047 0.000 1.035 123 E CA -2.222 54.228 56.400 0.085 0.000 0.836 123 E CB 0.578 30.317 29.700 0.065 0.000 1.070 123 E HN 0.049 nan 8.360 nan 0.000 0.401 124 P HA -0.144 nan 4.420 nan 0.000 0.271 124 P C 0.080 177.384 177.300 0.006 0.000 1.233 124 P CA 0.154 63.265 63.100 0.019 0.000 0.795 124 P CB 1.026 32.736 31.700 0.015 0.000 0.936 125 E N -0.044 120.156 120.200 -0.001 0.000 2.190 125 E HA 0.052 4.651 4.350 0.414 0.000 0.191 125 E C 0.667 177.262 176.600 -0.008 0.000 0.978 125 E CA 0.326 56.722 56.400 -0.007 0.000 0.839 125 E CB 0.283 29.977 29.700 -0.010 0.000 0.787 125 E HN 0.392 nan 8.360 nan 0.000 0.473 126 M N -0.397 119.198 119.600 -0.007 0.000 2.593 126 M HA 0.539 5.268 4.480 0.414 0.000 0.290 126 M C -1.256 175.036 176.300 -0.014 0.000 1.244 126 M CA -0.566 54.728 55.300 -0.009 0.000 0.857 126 M CB 2.482 35.077 32.600 -0.009 0.000 1.738 126 M HN 0.051 nan 8.290 nan 0.000 0.461 127 G N 1.815 110.603 108.800 -0.019 0.000 2.690 127 G HA2 0.537 4.745 3.960 0.414 0.000 0.293 127 G HA3 0.537 4.745 3.960 0.414 0.000 0.293 127 G C -2.065 172.805 174.900 -0.050 0.000 1.399 127 G CA -0.757 44.322 45.100 -0.034 0.000 0.890 127 G HN 0.631 nan 8.290 nan 0.000 0.485 128 K N 0.401 120.752 120.400 -0.083 0.000 2.234 128 K HA 0.576 5.144 4.320 0.414 0.000 0.277 128 K C -0.242 176.241 176.600 -0.195 0.000 1.038 128 K CA -0.629 55.580 56.287 -0.130 0.000 0.888 128 K CB 1.962 34.366 32.500 -0.160 0.000 1.091 128 K HN 0.536 nan 8.250 nan 0.000 0.467 129 V N -0.005 119.807 119.914 -0.170 0.000 3.007 129 V HA 0.476 4.845 4.120 0.414 0.000 0.311 129 V C -1.304 174.750 176.094 -0.067 0.000 1.120 129 V CA -1.029 61.178 62.300 -0.155 0.000 0.980 129 V CB 1.323 33.116 31.823 -0.050 0.000 1.033 129 V HN 0.718 nan 8.190 nan 0.000 0.429 130 Y N 2.784 123.078 120.300 -0.011 0.000 2.478 130 Y HA 0.622 5.421 4.550 0.415 0.000 0.329 130 Y C 0.546 176.442 175.900 -0.007 0.000 0.967 130 Y CA -1.106 56.989 58.100 -0.008 0.000 1.255 130 Y CB 1.458 39.912 38.460 -0.010 0.000 1.103 130 Y HN 0.536 nan 8.280 nan 0.000 0.497 131 R N 1.466 122.065 120.500 0.164 0.000 2.457 131 R HA 0.363 4.952 4.340 0.414 0.000 0.284 131 R C 0.705 177.036 176.300 0.053 0.000 1.024 131 R CA -0.260 55.890 56.100 0.083 0.000 1.025 131 R CB 1.341 31.676 30.300 0.059 0.000 1.063 131 R HN 0.805 nan 8.270 nan 0.000 0.493 132 A N 1.483 124.321 122.820 0.030 0.000 2.216 132 A HA -0.141 4.428 4.320 0.414 0.000 0.214 132 A C 0.838 178.423 177.584 0.001 0.000 1.160 132 A CA 1.313 53.355 52.037 0.009 0.000 0.725 132 A CB -0.403 18.601 19.000 0.006 0.000 0.784 132 A HN 0.706 nan 8.150 nan 0.000 0.472 133 D N -1.282 119.122 120.400 0.008 0.000 2.319 133 D HA 0.123 5.012 4.640 0.414 0.000 0.230 133 D C 0.777 177.078 176.300 0.001 0.000 1.094 133 D CA 0.196 54.198 54.000 0.004 0.000 0.856 133 D CB 0.032 40.837 40.800 0.008 0.000 0.915 133 D HN 0.479 nan 8.370 nan 0.000 0.517 134 R N -1.922 118.575 120.500 -0.005 0.000 3.380 134 R HA 0.388 4.976 4.340 0.414 0.000 0.260 134 R C -0.039 176.231 176.300 -0.049 0.000 1.074 134 R CA -0.634 55.457 56.100 -0.015 0.000 0.924 134 R CB 0.482 30.784 30.300 0.004 0.000 1.514 134 R HN -0.115 nan 8.270 nan 0.000 0.417 135 K N 0.014 120.372 120.400 -0.070 0.000 2.703 135 K HA 0.209 4.778 4.320 0.414 0.000 0.196 135 K C 0.133 176.614 176.600 -0.198 0.000 1.457 135 K CA 0.706 56.909 56.287 -0.140 0.000 1.115 135 K CB 0.110 32.550 32.500 -0.101 0.000 1.661 135 K HN 0.545 nan 8.250 nan 0.000 0.552 136 S N 0.187 115.837 115.700 -0.084 0.000 2.641 136 S HA 0.099 4.817 4.470 0.414 0.000 0.251 136 S C 0.266 174.930 174.600 0.106 0.000 1.332 136 S CA -0.380 57.806 58.200 -0.023 0.000 0.968 136 S CB 0.724 63.936 63.200 0.020 0.000 0.987 136 S HN 0.093 nan 8.310 nan 0.000 0.587 137 V N 2.457 122.531 119.914 0.267 0.000 2.334 137 V HA 0.322 4.691 4.120 0.414 0.000 0.267 137 V C -0.199 176.002 176.094 0.179 0.000 1.040 137 V CA -0.607 61.962 62.300 0.448 0.000 0.866 137 V CB 0.204 32.227 31.823 0.334 0.000 1.019 137 V HN 0.886 nan 8.190 nan 0.000 0.468 138 Q N 6.432 126.325 119.800 0.154 0.000 2.278 138 Q HA 0.528 5.117 4.340 0.414 0.000 0.257 138 Q C -0.556 175.464 176.000 0.034 0.000 0.928 138 Q CA -0.785 55.063 55.803 0.076 0.000 0.932 138 Q CB 1.265 30.047 28.738 0.073 0.000 1.221 138 Q HN 0.840 nan 8.270 nan 0.000 0.434 139 R N 3.226 123.736 120.500 0.017 0.000 2.825 139 R HA 0.342 4.931 4.340 0.414 0.000 0.261 139 R C 0.482 176.783 176.300 0.002 0.000 1.341 139 R CA -0.441 55.657 56.100 -0.003 0.000 1.353 139 R CB -0.438 29.858 30.300 -0.006 0.000 1.191 139 R HN 0.725 nan 8.270 nan 0.000 0.590 140 I N -1.792 118.780 120.570 0.004 0.000 3.433 140 I HA 0.176 4.595 4.170 0.414 0.000 0.265 140 I C -0.171 175.948 176.117 0.003 0.000 1.186 140 I CA -0.867 60.439 61.300 0.010 0.000 1.008 140 I CB 0.544 38.556 38.000 0.019 0.000 1.552 140 I HN 0.291 nan 8.210 nan 0.000 0.790 141 K N 1.240 121.643 120.400 0.006 0.000 2.249 141 K HA 0.344 4.913 4.320 0.414 0.000 0.280 141 K C 0.842 177.443 176.600 0.002 0.000 1.033 141 K CA 0.027 56.312 56.287 -0.002 0.000 0.946 141 K CB 1.499 33.992 32.500 -0.011 0.000 1.005 141 K HN 0.720 nan 8.250 nan 0.000 0.469 142 A N 3.025 125.843 122.820 -0.003 0.000 2.186 142 A HA -0.183 4.385 4.320 0.414 0.000 0.219 142 A C 2.022 179.613 177.584 0.012 0.000 1.159 142 A CA 1.397 53.436 52.037 0.002 0.000 0.680 142 A CB -0.383 18.617 19.000 0.001 0.000 0.787 142 A HN 0.829 nan 8.150 nan 0.000 0.467 143 R N -0.551 119.949 120.500 0.001 0.000 2.200 143 R HA -0.038 4.550 4.340 0.414 0.000 0.208 143 R C 0.225 176.559 176.300 0.056 0.000 1.033 143 R CA 1.182 57.278 56.100 -0.006 0.000 1.000 143 R CB 0.016 30.265 30.300 -0.084 0.000 0.906 143 R HN 0.343 nan 8.270 nan 0.000 0.462 144 D N 0.418 120.858 120.400 0.067 0.000 2.349 144 D HA 0.101 4.989 4.640 0.414 0.000 0.214 144 D C 0.356 176.726 176.300 0.115 0.000 1.063 144 D CA 0.141 54.226 54.000 0.142 0.000 0.847 144 D CB 0.420 41.279 40.800 0.098 0.000 0.933 144 D HN 0.270 nan 8.370 nan 0.000 0.513 145 I N 1.143 121.759 120.570 0.078 0.000 2.720 145 I HA 0.108 4.527 4.170 0.414 0.000 0.287 145 I C 0.530 176.688 176.117 0.069 0.000 1.090 145 I CA -0.594 60.736 61.300 0.050 0.000 1.384 145 I CB 1.349 39.355 38.000 0.010 0.000 1.420 145 I HN -0.247 nan 8.210 nan 0.000 0.575 146 V N 2.528 122.477 119.914 0.057 0.000 3.007 146 V HA 0.621 4.990 4.120 0.414 0.000 0.311 146 V C -2.853 173.240 176.094 -0.000 0.000 1.120 146 V CA -2.541 59.813 62.300 0.090 0.000 0.980 146 V CB 1.780 33.721 31.823 0.197 0.000 1.033 146 V HN 0.455 nan 8.190 nan 0.000 0.429 147 P HA 0.470 nan 4.420 nan 0.000 0.269 147 P C 0.908 177.961 177.300 -0.411 0.000 1.209 147 P CA 1.829 64.739 63.100 -0.317 0.000 0.776 147 P CB 1.021 32.468 31.700 -0.421 0.000 0.876 148 G N 1.989 110.219 108.800 -0.950 0.000 2.611 148 G HA2 -0.185 4.024 3.960 0.414 0.000 0.208 148 G HA3 -0.185 4.024 3.960 0.414 0.000 0.208 148 G C -0.169 174.577 174.900 -0.256 0.000 1.201 148 G CA 0.136 44.755 45.100 -0.802 0.000 0.739 148 G HN 0.711 nan 8.290 nan 0.000 0.528 149 D N 2.477 122.819 120.400 -0.096 0.000 2.368 149 D HA 0.418 5.306 4.640 0.414 0.000 0.240 149 D C 1.126 177.383 176.300 -0.072 0.000 1.169 149 D CA 0.046 54.023 54.000 -0.037 0.000 0.906 149 D CB 0.353 41.156 40.800 0.005 0.000 1.187 149 D HN 1.162 nan 8.370 nan 0.000 0.435 150 I N -1.453 119.103 120.570 -0.023 0.000 2.396 150 I HA 0.492 4.911 4.170 0.414 0.000 0.292 150 I C 0.188 176.254 176.117 -0.085 0.000 0.999 150 I CA -1.152 60.128 61.300 -0.033 0.000 1.310 150 I CB 1.219 39.243 38.000 0.041 0.000 1.404 150 I HN 0.306 nan 8.210 nan 0.000 0.496 151 V N 1.932 121.769 119.914 -0.129 0.000 3.103 151 V HA 0.677 5.046 4.120 0.414 0.000 0.318 151 V C -0.526 175.434 176.094 -0.222 0.000 1.114 151 V CA -0.674 61.514 62.300 -0.187 0.000 1.020 151 V CB 1.875 33.616 31.823 -0.137 0.000 1.085 151 V HN 0.971 nan 8.190 nan 0.000 0.446 152 E N 0.023 120.071 120.200 -0.255 0.000 2.340 152 E HA 0.755 5.353 4.350 0.414 0.000 0.273 152 E C -1.877 174.638 176.600 -0.142 0.000 0.891 152 E CA -0.688 55.582 56.400 -0.217 0.000 0.757 152 E CB 2.669 32.170 29.700 -0.332 0.000 1.231 152 E HN 0.977 nan 8.360 nan 0.000 0.439 153 V N -0.895 118.961 119.914 -0.096 0.000 3.087 153 V HA 1.003 5.372 4.120 0.414 0.000 0.306 153 V C -0.841 175.225 176.094 -0.047 0.000 1.187 153 V CA -0.689 61.571 62.300 -0.066 0.000 0.999 153 V CB 1.159 32.948 31.823 -0.056 0.000 1.049 153 V HN 0.840 nan 8.190 nan 0.000 0.431 154 A N 1.258 124.058 122.820 -0.033 0.000 2.567 154 A HA 0.940 5.509 4.320 0.414 0.000 0.289 154 A C -0.253 177.322 177.584 -0.014 0.000 1.177 154 A CA -0.282 51.743 52.037 -0.021 0.000 0.694 154 A CB 1.359 20.350 19.000 -0.016 0.000 1.292 154 A HN 2.242 nan 8.150 nan 0.000 0.425 155 V N -0.833 119.076 119.914 -0.008 0.000 2.872 155 V HA 0.338 4.707 4.120 0.414 0.000 0.302 155 V C 1.652 177.745 176.094 -0.003 0.000 1.166 155 V CA 0.908 63.206 62.300 -0.004 0.000 1.298 155 V CB -0.660 31.163 31.823 -0.001 0.000 0.894 155 V HN 2.771 nan 8.190 nan 0.000 0.509 156 G N 1.956 110.757 108.800 0.001 0.000 2.377 156 G HA2 -0.259 3.949 3.960 0.414 0.000 0.250 156 G HA3 -0.259 3.949 3.960 0.414 0.000 0.250 156 G C 0.091 174.993 174.900 0.003 0.000 1.039 156 G CA 0.411 45.513 45.100 0.003 0.000 0.625 156 G HN 0.890 nan 8.290 nan 0.000 0.526 157 D N 0.835 121.233 120.400 -0.003 0.000 2.400 157 D HA 0.364 5.253 4.640 0.414 0.000 0.238 157 D C 0.511 176.812 176.300 0.001 0.000 1.157 157 D CA 0.492 54.489 54.000 -0.006 0.000 0.889 157 D CB 0.863 41.653 40.800 -0.018 0.000 1.199 157 D HN 0.389 nan 8.370 nan 0.000 0.436 158 K N 1.181 121.585 120.400 0.005 0.000 2.339 158 K HA 0.265 4.833 4.320 0.414 0.000 0.264 158 K C -0.923 175.682 176.600 0.008 0.000 0.986 158 K CA -0.730 55.568 56.287 0.018 0.000 0.866 158 K CB 0.942 33.462 32.500 0.032 0.000 1.103 158 K HN 0.106 nan 8.250 nan 0.000 0.441 159 V N 7.141 127.058 119.914 0.006 0.000 2.506 159 V HA -0.031 4.337 4.120 0.414 0.000 0.296 159 V C -1.164 174.930 176.094 0.000 0.000 1.004 159 V CA -0.701 61.594 62.300 -0.008 0.000 1.150 159 V CB 0.389 32.208 31.823 -0.007 0.000 0.911 159 V HN 0.866 nan 8.190 nan 0.000 0.476 160 P HA 0.078 nan 4.420 nan 0.000 0.229 160 P C 0.350 177.645 177.300 -0.008 0.000 1.160 160 P CA 1.491 64.586 63.100 -0.008 0.000 0.777 160 P CB 0.668 32.355 31.700 -0.022 0.000 0.814 161 A N -0.839 121.966 122.820 -0.024 0.000 2.493 161 A HA 0.448 5.017 4.320 0.414 0.000 0.300 161 A C -1.626 175.924 177.584 -0.055 0.000 1.152 161 A CA -0.574 51.445 52.037 -0.030 0.000 0.643 161 A CB -0.070 18.902 19.000 -0.046 0.000 1.316 161 A HN -0.216 nan 8.150 nan 0.000 0.469 162 D N 0.940 121.302 120.400 -0.064 0.000 2.338 162 D HA 0.516 5.405 4.640 0.414 0.000 0.255 162 D C -0.730 175.477 176.300 -0.154 0.000 1.237 162 D CA 0.899 54.832 54.000 -0.112 0.000 0.883 162 D CB 0.087 40.846 40.800 -0.069 0.000 1.087 162 D HN 0.367 nan 8.370 nan 0.000 0.485 163 I N 2.913 123.364 120.570 -0.197 0.000 2.418 163 I HA 0.248 4.667 4.170 0.414 0.000 0.287 163 I C 0.343 176.349 176.117 -0.185 0.000 1.008 163 I CA -0.964 60.230 61.300 -0.176 0.000 1.104 163 I CB 1.466 39.379 38.000 -0.145 0.000 1.264 163 I HN -0.010 nan 8.210 nan 0.000 0.438 164 R N 6.910 127.322 120.500 -0.146 0.000 2.340 164 R HA 0.484 5.073 4.340 0.414 0.000 0.300 164 R C -0.739 175.506 176.300 -0.091 0.000 1.069 164 R CA -0.496 55.536 56.100 -0.113 0.000 0.984 164 R CB 0.680 30.933 30.300 -0.078 0.000 1.003 164 R HN 0.580 nan 8.270 nan 0.000 0.459 165 I N 6.024 126.548 120.570 -0.076 0.000 2.474 165 I HA 0.028 4.447 4.170 0.414 0.000 0.287 165 I C 1.337 177.437 176.117 -0.028 0.000 1.048 165 I CA -0.219 61.048 61.300 -0.054 0.000 1.383 165 I CB 0.985 38.956 38.000 -0.048 0.000 1.412 165 I HN 0.479 nan 8.210 nan 0.000 0.531 166 L N 3.900 125.110 121.223 -0.021 0.000 2.276 166 L HA 0.157 4.745 4.340 0.414 0.000 0.194 166 L C 0.705 177.578 176.870 0.006 0.000 1.099 166 L CA 0.473 55.311 54.840 -0.003 0.000 0.800 166 L CB -0.157 41.904 42.059 0.002 0.000 0.994 166 L HN 0.734 nan 8.230 nan 0.000 0.475 167 S N -0.417 115.286 115.700 0.006 0.000 2.557 167 S HA 0.593 5.311 4.470 0.414 0.000 0.291 167 S C -0.781 173.824 174.600 0.007 0.000 1.116 167 S CA -0.598 57.609 58.200 0.012 0.000 0.992 167 S CB 1.758 64.970 63.200 0.020 0.000 1.028 167 S HN 0.116 nan 8.310 nan 0.000 0.484 168 I N 3.570 124.146 120.570 0.010 0.000 2.307 168 I HA 0.279 4.698 4.170 0.414 0.000 0.287 168 I C 1.082 177.205 176.117 0.009 0.000 1.054 168 I CA -0.522 60.780 61.300 0.003 0.000 1.218 168 I CB 1.014 39.014 38.000 -0.000 0.000 1.398 168 I HN 0.782 nan 8.210 nan 0.000 0.475 169 K N 2.863 123.268 120.400 0.009 0.000 2.228 169 K HA -0.021 4.547 4.320 0.414 0.000 0.202 169 K C 1.242 177.848 176.600 0.009 0.000 1.051 169 K CA 0.461 56.755 56.287 0.013 0.000 0.960 169 K CB 0.049 32.561 32.500 0.020 0.000 0.743 169 K HN 0.709 nan 8.250 nan 0.000 0.458 170 S N -0.006 115.697 115.700 0.005 0.000 2.641 170 S HA 0.041 4.759 4.470 0.414 0.000 0.261 170 S C 1.268 175.871 174.600 0.005 0.000 1.257 170 S CA -0.372 57.831 58.200 0.004 0.000 0.983 170 S CB 1.090 64.291 63.200 0.001 0.000 0.990 170 S HN 0.016 nan 8.310 nan 0.000 0.572 171 T N 1.023 115.581 114.554 0.006 0.000 2.821 171 T HA 0.122 4.720 4.350 0.414 0.000 0.267 171 T C 0.819 175.527 174.700 0.014 0.000 1.046 171 T CA 1.479 63.584 62.100 0.009 0.000 1.139 171 T CB -0.629 68.245 68.868 0.010 0.000 0.871 171 T HN 1.037 nan 8.240 nan 0.000 0.454 172 T N -0.619 113.940 114.554 0.007 0.000 2.932 172 T HA 0.614 5.213 4.350 0.414 0.000 0.318 172 T C -1.633 173.054 174.700 -0.021 0.000 1.265 172 T CA -1.066 61.032 62.100 -0.003 0.000 1.036 172 T CB 1.821 70.697 68.868 0.012 0.000 1.209 172 T HN -0.023 nan 8.240 nan 0.000 0.484 173 L N 1.644 122.834 121.223 -0.054 0.000 2.307 173 L HA 0.755 5.344 4.340 0.414 0.000 0.284 173 L C -0.312 176.525 176.870 -0.054 0.000 1.023 173 L CA -0.491 54.318 54.840 -0.051 0.000 0.810 173 L CB 1.140 43.163 42.059 -0.061 0.000 1.231 173 L HN 0.769 nan 8.230 nan 0.000 0.423 174 R N 3.795 124.279 120.500 -0.027 0.000 2.750 174 R HA 0.877 5.465 4.340 0.414 0.000 0.281 174 R C -1.547 174.750 176.300 -0.004 0.000 0.972 174 R CA -0.873 55.219 56.100 -0.013 0.000 0.912 174 R CB 2.449 32.749 30.300 0.000 0.000 1.187 174 R HN 0.536 nan 8.270 nan 0.000 0.464 175 V N -1.379 118.538 119.914 0.007 0.000 2.971 175 V HA 0.338 4.707 4.120 0.414 0.000 0.309 175 V C -0.918 175.189 176.094 0.021 0.000 1.130 175 V CA -1.109 61.201 62.300 0.015 0.000 0.964 175 V CB 2.230 34.068 31.823 0.025 0.000 1.029 175 V HN 0.669 nan 8.190 nan 0.000 0.427 176 D N 2.086 122.497 120.400 0.018 0.000 2.494 176 D HA 0.259 5.147 4.640 0.414 0.000 0.217 176 D C 0.437 176.742 176.300 0.009 0.000 1.153 176 D CA 0.054 54.061 54.000 0.013 0.000 0.954 176 D CB 0.709 41.516 40.800 0.011 0.000 1.034 176 D HN 0.638 nan 8.370 nan 0.000 0.518 177 Q N 1.840 121.646 119.800 0.009 0.000 2.414 177 Q HA 0.112 4.701 4.340 0.414 0.000 0.286 177 Q C 1.041 177.008 176.000 -0.054 0.000 0.941 177 Q CA -0.219 55.577 55.803 -0.011 0.000 0.951 177 Q CB 0.456 29.195 28.738 0.002 0.000 1.188 177 Q HN 0.358 nan 8.270 nan 0.000 0.418 178 S N 1.110 116.782 115.700 -0.046 0.000 2.338 178 S HA -0.156 4.563 4.470 0.414 0.000 0.218 178 S C 1.939 176.482 174.600 -0.096 0.000 1.032 178 S CA 1.242 59.410 58.200 -0.053 0.000 0.999 178 S CB -0.228 62.957 63.200 -0.025 0.000 0.905 178 S HN 0.720 nan 8.310 nan 0.000 0.439 179 I N 0.305 120.792 120.570 -0.139 0.000 2.367 179 I HA -0.236 4.183 4.170 0.414 0.000 0.256 179 I C 1.844 177.811 176.117 -0.250 0.000 1.132 179 I CA 1.501 62.643 61.300 -0.263 0.000 1.397 179 I CB -0.608 37.064 38.000 -0.546 0.000 1.074 179 I HN 0.197 nan 8.210 nan 0.000 0.435 180 L N 0.759 121.856 121.223 -0.210 0.000 2.049 180 L HA -0.077 4.511 4.340 0.414 0.000 0.203 180 L C 2.839 179.614 176.870 -0.158 0.000 1.074 180 L CA 2.087 56.799 54.840 -0.213 0.000 0.749 180 L CB -0.877 41.020 42.059 -0.270 0.000 0.907 180 L HN 0.541 nan 8.230 nan 0.000 0.439 181 T N -4.616 109.863 114.554 -0.125 0.000 3.234 181 T HA 0.357 4.956 4.350 0.414 0.000 0.235 181 T C 1.363 176.027 174.700 -0.060 0.000 0.971 181 T CA 0.722 62.769 62.100 -0.088 0.000 1.292 181 T CB 0.797 69.620 68.868 -0.076 0.000 0.994 181 T HN 0.356 nan 8.240 nan 0.000 0.412 182 G N 1.052 109.823 108.800 -0.049 0.000 3.033 182 G HA2 -0.079 4.130 3.960 0.414 0.000 0.208 182 G HA3 -0.079 4.130 3.960 0.414 0.000 0.208 182 G C -0.300 174.589 174.900 -0.018 0.000 1.006 182 G CA -0.269 44.814 45.100 -0.029 0.000 0.808 182 G HN 0.583 nan 8.290 nan 0.000 0.499 183 E N 1.969 122.156 120.200 -0.020 0.000 1.939 183 E HA 0.356 4.955 4.350 0.414 0.000 0.259 183 E C 1.258 177.853 176.600 -0.010 0.000 1.259 183 E CA 0.382 56.774 56.400 -0.013 0.000 0.971 183 E CB 1.168 30.860 29.700 -0.013 0.000 1.055 183 E HN 0.192 nan 8.360 nan 0.000 0.420 184 S N 2.618 118.315 115.700 -0.006 0.000 2.440 184 S HA -0.128 4.591 4.470 0.414 0.000 0.240 184 S C 0.958 175.558 174.600 0.001 0.000 1.014 184 S CA 0.207 58.406 58.200 -0.002 0.000 0.980 184 S CB 0.016 63.216 63.200 0.001 0.000 0.775 184 S HN 0.382 nan 8.310 nan 0.000 0.499 185 V N 3.899 123.813 119.914 0.000 0.000 2.536 185 V HA -0.014 4.354 4.120 0.414 0.000 0.287 185 V C 0.880 176.983 176.094 0.015 0.000 0.979 185 V CA 0.299 62.602 62.300 0.005 0.000 1.161 185 V CB -0.985 30.840 31.823 0.003 0.000 0.915 185 V HN 0.637 nan 8.190 nan 0.000 0.467 186 S N 5.672 121.383 115.700 0.017 0.000 2.569 186 S HA 0.416 5.134 4.470 0.414 0.000 0.274 186 S C -0.161 174.459 174.600 0.034 0.000 1.353 186 S CA -0.185 58.028 58.200 0.022 0.000 1.023 186 S CB 1.474 64.684 63.200 0.018 0.000 0.876 186 S HN 1.279 nan 8.310 nan 0.000 0.540 187 V N -0.767 119.169 119.914 0.036 0.000 2.960 187 V HA 0.760 5.128 4.120 0.414 0.000 0.315 187 V C -0.689 175.421 176.094 0.026 0.000 1.087 187 V CA -1.308 61.022 62.300 0.050 0.000 0.982 187 V CB 1.090 32.950 31.823 0.062 0.000 1.039 187 V HN 0.821 nan 8.190 nan 0.000 0.437 188 I N 3.458 124.043 120.570 0.025 0.000 2.331 188 I HA 0.518 4.937 4.170 0.414 0.000 0.292 188 I C 0.461 176.487 176.117 -0.152 0.000 0.998 188 I CA -0.075 61.191 61.300 -0.056 0.000 1.267 188 I CB 1.077 39.069 38.000 -0.013 0.000 1.386 188 I HN 0.561 nan 8.210 nan 0.000 0.476 189 K N 5.213 125.477 120.400 -0.225 0.000 2.106 189 K HA 0.590 5.159 4.320 0.414 0.000 0.246 189 K C -0.362 175.972 176.600 -0.443 0.000 0.987 189 K CA -0.703 55.456 56.287 -0.213 0.000 0.904 189 K CB 1.295 33.735 32.500 -0.101 0.000 1.071 189 K HN 0.514 nan 8.250 nan 0.000 0.453 190 H N -1.121 117.953 119.070 0.006 0.000 2.959 190 H HA 0.217 5.022 4.556 0.414 0.000 0.296 190 H C 0.272 175.591 175.328 -0.014 0.000 1.421 190 H CA -0.417 55.631 56.048 -0.001 0.000 1.206 190 H CB 1.894 31.647 29.762 -0.015 0.000 1.891 190 H HN 0.592 nan 8.280 nan 0.000 0.573 191 T N -1.136 113.505 114.554 0.144 0.000 2.999 191 T HA 0.027 4.626 4.350 0.414 0.000 0.247 191 T C 0.504 175.224 174.700 0.034 0.000 1.012 191 T CA 0.080 62.216 62.100 0.060 0.000 1.048 191 T CB 0.126 69.021 68.868 0.045 0.000 1.020 191 T HN 0.508 nan 8.240 nan 0.000 0.478 192 E N 2.548 122.760 120.200 0.021 0.000 2.485 192 E HA 0.044 4.643 4.350 0.414 0.000 0.266 192 E C -2.307 174.287 176.600 -0.009 0.000 1.090 192 E CA -1.089 55.298 56.400 -0.022 0.000 0.987 192 E CB 0.556 30.206 29.700 -0.084 0.000 0.974 192 E HN 0.287 nan 8.360 nan 0.000 0.455 193 P HA 0.143 nan 4.420 nan 0.000 0.283 193 P C -1.198 176.106 177.300 0.007 0.000 1.271 193 P CA -0.482 62.616 63.100 -0.002 0.000 0.841 193 P CB 1.176 32.868 31.700 -0.014 0.000 1.122 194 V N 3.666 123.612 119.914 0.052 0.000 2.334 194 V HA 0.168 4.537 4.120 0.414 0.000 0.281 194 V C -0.934 175.208 176.094 0.081 0.000 1.016 194 V CA -1.678 60.678 62.300 0.092 0.000 0.832 194 V CB 1.019 32.968 31.823 0.210 0.000 0.999 194 V HN 0.577 nan 8.190 nan 0.000 0.439 195 P HA -0.177 nan 4.420 nan 0.000 0.210 195 P C 0.557 177.879 177.300 0.037 0.000 1.185 195 P CA 0.928 64.037 63.100 0.015 0.000 0.924 195 P CB 0.062 31.762 31.700 0.001 0.000 0.786 196 D N 0.777 121.215 120.400 0.062 0.000 2.661 196 D HA -0.067 4.822 4.640 0.414 0.000 0.244 196 D C -1.457 174.945 176.300 0.169 0.000 1.196 196 D CA -0.817 53.234 54.000 0.085 0.000 0.881 196 D CB 0.594 41.437 40.800 0.073 0.000 1.141 196 D HN 0.085 nan 8.370 nan 0.000 0.530 197 P HA -0.073 nan 4.420 nan 0.000 0.223 197 P C 0.224 177.637 177.300 0.188 0.000 1.151 197 P CA 0.802 63.933 63.100 0.051 0.000 0.787 197 P CB 0.115 31.807 31.700 -0.014 0.000 0.788 198 R N -0.750 119.841 120.500 0.152 0.000 3.463 198 R HA 0.704 5.292 4.340 0.414 0.000 0.303 198 R C -0.609 175.737 176.300 0.077 0.000 1.370 198 R CA -0.552 55.619 56.100 0.118 0.000 1.524 198 R CB 0.258 30.597 30.300 0.064 0.000 1.389 198 R HN -0.140 nan 8.270 nan 0.000 0.640 199 A N 1.609 124.463 122.820 0.057 0.000 2.325 199 A HA 0.530 5.099 4.320 0.414 0.000 0.333 199 A C 0.478 177.986 177.584 -0.127 0.000 1.155 199 A CA -0.799 51.203 52.037 -0.058 0.000 0.814 199 A CB 1.267 20.214 19.000 -0.088 0.000 1.206 199 A HN 0.413 nan 8.150 nan 0.000 0.482 200 V N 1.549 121.410 119.914 -0.087 0.000 2.763 200 V HA 0.028 4.396 4.120 0.414 0.000 0.306 200 V C 1.019 177.055 176.094 -0.097 0.000 1.059 200 V CA -0.249 61.997 62.300 -0.090 0.000 1.138 200 V CB -0.414 31.363 31.823 -0.076 0.000 0.940 200 V HN 0.868 nan 8.190 nan 0.000 0.489 201 N N 2.354 120.992 118.700 -0.103 0.000 2.184 201 N HA -0.250 4.738 4.740 0.414 0.000 0.190 201 N C 1.611 177.112 175.510 -0.015 0.000 1.011 201 N CA 1.913 54.931 53.050 -0.054 0.000 0.867 201 N CB -0.482 37.716 38.487 -0.483 0.000 0.993 201 N HN 0.931 nan 8.380 nan 0.000 0.433 202 Q N 0.289 120.050 119.800 -0.067 0.000 2.181 202 Q HA -0.136 4.453 4.340 0.414 0.000 0.205 202 Q C 0.176 176.187 176.000 0.020 0.000 0.980 202 Q CA 1.465 57.257 55.803 -0.019 0.000 0.862 202 Q CB 0.089 28.813 28.738 -0.023 0.000 0.905 202 Q HN 0.281 nan 8.270 nan 0.000 0.429 203 D N -0.375 120.020 120.400 -0.008 0.000 2.339 203 D HA 0.041 4.930 4.640 0.414 0.000 0.217 203 D C -0.397 175.892 176.300 -0.018 0.000 1.050 203 D CA 0.353 54.348 54.000 -0.009 0.000 0.856 203 D CB 0.359 41.144 40.800 -0.026 0.000 0.922 203 D HN 0.072 nan 8.370 nan 0.000 0.518 204 K N 1.375 121.771 120.400 -0.007 0.000 2.307 204 K HA 0.081 4.650 4.320 0.414 0.000 0.240 204 K C 1.013 177.648 176.600 0.058 0.000 1.214 204 K CA -0.134 56.146 56.287 -0.012 0.000 1.149 204 K CB 0.246 32.755 32.500 0.016 0.000 1.668 204 K HN 0.138 nan 8.250 nan 0.000 0.314 205 K N 0.245 120.677 120.400 0.055 0.000 2.589 205 K HA -0.071 4.498 4.320 0.414 0.000 0.192 205 K C 0.358 176.991 176.600 0.055 0.000 1.029 205 K CA 0.795 57.127 56.287 0.074 0.000 1.031 205 K CB -0.094 32.472 32.500 0.111 0.000 0.821 205 K HN 0.226 nan 8.250 nan 0.000 0.502 206 N N -0.000 118.714 118.700 0.024 0.000 2.241 206 N HA 0.110 5.099 4.740 0.414 0.000 0.238 206 N C -0.594 174.875 175.510 -0.070 0.000 1.244 206 N CA -0.401 52.649 53.050 0.001 0.000 0.880 206 N CB 0.415 38.920 38.487 0.029 0.000 1.179 206 N HN -0.037 nan 8.380 nan 0.000 0.513 207 M N 0.683 120.196 119.600 -0.145 0.000 2.664 207 M HA 0.494 5.222 4.480 0.414 0.000 0.314 207 M C -0.865 175.171 176.300 -0.440 0.000 1.200 207 M CA -0.676 54.421 55.300 -0.339 0.000 0.916 207 M CB 1.998 34.265 32.600 -0.556 0.000 1.717 207 M HN -0.010 nan 8.290 nan 0.000 0.470 208 L N 2.199 123.139 121.223 -0.472 0.000 2.349 208 L HA 0.513 5.102 4.340 0.414 0.000 0.278 208 L C -1.228 175.389 176.870 -0.422 0.000 0.996 208 L CA -0.463 54.176 54.840 -0.335 0.000 0.825 208 L CB 1.288 43.247 42.059 -0.166 0.000 1.243 208 L HN 0.499 nan 8.230 nan 0.000 0.412 209 F N 0.854 120.779 119.950 -0.042 0.000 2.394 209 F HA 0.233 5.009 4.527 0.415 0.000 0.340 209 F C 1.136 176.909 175.800 -0.045 0.000 1.105 209 F CA -0.185 57.787 58.000 -0.046 0.000 1.124 209 F CB 1.594 40.561 39.000 -0.056 0.000 1.145 209 F HN 0.384 nan 8.300 nan 0.000 0.505 210 S N 1.849 117.627 115.700 0.129 0.000 2.537 210 S HA 0.403 5.121 4.470 0.414 0.000 0.286 210 S C 0.977 175.615 174.600 0.064 0.000 1.299 210 S CA 0.646 58.886 58.200 0.068 0.000 1.067 210 S CB 0.047 63.277 63.200 0.050 0.000 0.864 210 S HN 1.158 nan 8.310 nan 0.000 0.494 211 G N 3.356 112.186 108.800 0.051 0.000 2.238 211 G HA2 -0.200 4.008 3.960 0.414 0.000 0.217 211 G HA3 -0.200 4.008 3.960 0.414 0.000 0.217 211 G C 0.350 175.256 174.900 0.010 0.000 0.996 211 G CA 0.158 45.279 45.100 0.036 0.000 0.632 211 G HN 0.870 nan 8.290 nan 0.000 0.503 212 T N 2.019 116.591 114.554 0.030 0.000 2.849 212 T HA 0.543 5.141 4.350 0.414 0.000 0.284 212 T C 0.043 174.761 174.700 0.030 0.000 1.004 212 T CA -0.145 61.974 62.100 0.031 0.000 1.021 212 T CB 0.730 69.646 68.868 0.080 0.000 1.013 212 T HN 0.308 nan 8.240 nan 0.000 0.527 213 N N 1.566 120.281 118.700 0.024 0.000 2.284 213 N HA 0.311 5.300 4.740 0.414 0.000 0.300 213 N C -0.829 174.688 175.510 0.012 0.000 1.047 213 N CA -0.652 52.409 53.050 0.019 0.000 0.821 213 N CB 1.593 40.092 38.487 0.021 0.000 1.337 213 N HN 0.359 nan 8.380 nan 0.000 0.482 214 I N 2.295 122.868 120.570 0.004 0.000 2.357 214 I HA 0.032 4.450 4.170 0.414 0.000 0.300 214 I C 1.721 177.838 176.117 0.001 0.000 1.159 214 I CA 0.084 61.382 61.300 -0.003 0.000 1.339 214 I CB -0.748 37.245 38.000 -0.011 0.000 1.458 214 I HN 0.591 nan 8.210 nan 0.000 0.577 215 A N 5.579 128.401 122.820 0.004 0.000 1.883 215 A HA 0.174 4.742 4.320 0.414 0.000 0.217 215 A C 1.195 178.781 177.584 0.003 0.000 1.186 215 A CA 1.542 53.582 52.037 0.005 0.000 0.624 215 A CB 0.068 19.073 19.000 0.008 0.000 0.822 215 A HN 0.696 nan 8.150 nan 0.000 0.444 216 A N -3.020 119.800 122.820 0.000 0.000 2.486 216 A HA 0.649 5.218 4.320 0.414 0.000 0.300 216 A C 0.570 178.151 177.584 -0.005 0.000 1.048 216 A CA 0.205 52.242 52.037 0.000 0.000 0.696 216 A CB 0.451 19.454 19.000 0.004 0.000 1.278 216 A HN 2.243 nan 8.150 nan 0.000 0.405 217 G N 0.756 109.554 108.800 -0.003 0.000 2.584 217 G HA2 0.223 4.432 3.960 0.414 0.000 0.229 217 G HA3 0.223 4.432 3.960 0.414 0.000 0.229 217 G C -0.367 174.528 174.900 -0.008 0.000 1.320 217 G CA 0.135 45.232 45.100 -0.005 0.000 0.891 217 G HN 1.727 nan 8.290 nan 0.000 0.573 218 K N -0.169 120.226 120.400 -0.010 0.000 2.579 218 K HA 0.686 5.254 4.320 0.414 0.000 0.257 218 K C -0.668 175.923 176.600 -0.014 0.000 0.950 218 K CA 0.306 56.585 56.287 -0.013 0.000 0.862 218 K CB 1.126 33.621 32.500 -0.008 0.000 1.317 218 K HN 2.269 nan 8.250 nan 0.000 0.436 219 A N 3.515 126.321 122.820 -0.024 0.000 2.564 219 A HA 0.856 5.425 4.320 0.414 0.000 0.288 219 A C -1.730 175.832 177.584 -0.037 0.000 1.164 219 A CA -0.841 51.182 52.037 -0.022 0.000 0.712 219 A CB 1.479 20.463 19.000 -0.027 0.000 1.303 219 A HN 0.752 nan 8.150 nan 0.000 0.418 220 L N -0.615 120.591 121.223 -0.028 0.000 2.393 220 L HA 0.966 5.555 4.340 0.414 0.000 0.260 220 L C -0.209 176.638 176.870 -0.039 0.000 1.002 220 L CA 0.075 54.889 54.840 -0.043 0.000 0.818 220 L CB 2.194 44.246 42.059 -0.011 0.000 1.369 220 L HN 1.338 nan 8.230 nan 0.000 0.412 221 G N 2.433 111.198 108.800 -0.058 0.000 2.682 221 G HA2 0.439 4.647 3.960 0.414 0.000 0.303 221 G HA3 0.439 4.647 3.960 0.414 0.000 0.303 221 G C -2.172 172.682 174.900 -0.076 0.000 1.341 221 G CA -0.720 44.344 45.100 -0.059 0.000 0.784 221 G HN 0.755 nan 8.290 nan 0.000 0.497 222 I N 0.930 121.447 120.570 -0.089 0.000 2.378 222 I HA 0.470 4.889 4.170 0.414 0.000 0.291 222 I C -0.124 175.878 176.117 -0.191 0.000 0.992 222 I CA -0.910 60.311 61.300 -0.132 0.000 1.154 222 I CB 1.593 39.527 38.000 -0.110 0.000 1.315 222 I HN 0.207 nan 8.210 nan 0.000 0.448 223 V N 8.498 128.272 119.914 -0.234 0.000 2.458 223 V HA 0.015 4.384 4.120 0.414 0.000 0.287 223 V C 1.181 177.062 176.094 -0.354 0.000 1.009 223 V CA 0.841 62.992 62.300 -0.248 0.000 1.091 223 V CB 0.729 32.424 31.823 -0.214 0.000 0.960 223 V HN 0.968 nan 8.190 nan 0.000 0.476 224 A N 4.809 127.492 122.820 -0.228 0.000 2.044 224 A HA 0.319 4.888 4.320 0.414 0.000 0.213 224 A C 0.995 178.510 177.584 -0.114 0.000 1.169 224 A CA 1.055 53.004 52.037 -0.147 0.000 0.724 224 A CB 0.172 19.121 19.000 -0.084 0.000 0.840 224 A HN 0.876 nan 8.150 nan 0.000 0.463 225 T N -3.900 110.572 114.554 -0.138 0.000 2.802 225 T HA 0.580 5.178 4.350 0.414 0.000 0.311 225 T C -0.448 174.194 174.700 -0.096 0.000 1.405 225 T CA 0.079 62.101 62.100 -0.130 0.000 1.016 225 T CB 1.459 70.282 68.868 -0.075 0.000 1.352 225 T HN 0.674 nan 8.240 nan 0.000 0.498 226 T N -2.197 112.314 114.554 -0.070 0.000 2.618 226 T HA 0.826 5.425 4.350 0.414 0.000 0.286 226 T C 1.097 175.806 174.700 0.016 0.000 1.027 226 T CA 0.016 62.104 62.100 -0.020 0.000 1.063 226 T CB 0.832 69.697 68.868 -0.006 0.000 1.440 226 T HN 2.198 nan 8.240 nan 0.000 0.505 227 G N 0.248 109.071 108.800 0.039 0.000 2.568 227 G HA2 -0.278 3.931 3.960 0.414 0.000 0.334 227 G HA3 -0.278 3.931 3.960 0.414 0.000 0.334 227 G C 1.061 175.987 174.900 0.043 0.000 1.348 227 G CA 1.739 46.870 45.100 0.052 0.000 0.949 227 G HN 2.165 nan 8.290 nan 0.000 0.532 228 V N -1.853 118.089 119.914 0.046 0.000 3.564 228 V HA 0.363 4.732 4.120 0.414 0.000 0.283 228 V C 1.702 177.817 176.094 0.035 0.000 1.227 228 V CA 2.072 64.396 62.300 0.039 0.000 1.217 228 V CB -0.115 31.730 31.823 0.037 0.000 0.994 228 V HN 0.766 nan 8.190 nan 0.000 0.446 229 S N 0.255 115.976 115.700 0.034 0.000 2.502 229 S HA 0.101 4.820 4.470 0.414 0.000 0.215 229 S C 1.124 175.739 174.600 0.026 0.000 1.009 229 S CA 0.509 58.725 58.200 0.027 0.000 0.908 229 S CB 0.098 63.310 63.200 0.021 0.000 0.801 229 S HN 0.911 nan 8.310 nan 0.000 0.505 230 T N 0.659 115.232 114.554 0.031 0.000 2.828 230 T HA 0.286 4.885 4.350 0.414 0.000 0.290 230 T C 0.981 175.720 174.700 0.064 0.000 1.019 230 T CA -0.502 61.628 62.100 0.050 0.000 1.031 230 T CB 0.674 69.572 68.868 0.049 0.000 1.001 230 T HN -0.172 nan 8.240 nan 0.000 0.531 231 E N 0.581 120.849 120.200 0.113 0.000 2.114 231 E HA -0.138 4.460 4.350 0.414 0.000 0.199 231 E C 1.888 178.493 176.600 0.008 0.000 1.008 231 E CA 1.243 57.687 56.400 0.073 0.000 0.810 231 E CB -0.510 29.249 29.700 0.099 0.000 0.739 231 E HN 0.744 nan 8.360 nan 0.000 0.456 232 I N 0.097 120.678 120.570 0.018 0.000 2.233 232 I HA -0.093 4.325 4.170 0.414 0.000 0.243 232 I C 2.504 178.629 176.117 0.013 0.000 1.093 232 I CA 1.426 62.724 61.300 -0.005 0.000 1.380 232 I CB -1.083 36.921 38.000 0.008 0.000 1.067 232 I HN 0.082 nan 8.210 nan 0.000 0.413 233 G N 0.904 109.721 108.800 0.029 0.000 2.469 233 G HA2 -0.265 3.944 3.960 0.414 0.000 0.219 233 G HA3 -0.265 3.944 3.960 0.414 0.000 0.219 233 G C 1.747 176.659 174.900 0.021 0.000 1.150 233 G CA 0.914 46.032 45.100 0.029 0.000 0.763 233 G HN 0.350 nan 8.290 nan 0.000 0.561 234 K N -0.031 120.379 120.400 0.016 0.000 1.991 234 K HA -0.023 4.546 4.320 0.414 0.000 0.212 234 K C 2.442 179.041 176.600 -0.000 0.000 1.049 234 K CA 1.264 57.557 56.287 0.009 0.000 0.932 234 K CB -0.338 32.166 32.500 0.007 0.000 0.717 234 K HN 0.306 nan 8.250 nan 0.000 0.441 235 I N 1.162 121.727 120.570 -0.009 0.000 2.194 235 I HA -0.309 4.109 4.170 0.414 0.000 0.246 235 I C 2.754 178.868 176.117 -0.004 0.000 1.093 235 I CA 1.093 62.383 61.300 -0.016 0.000 1.355 235 I CB -0.261 37.721 38.000 -0.030 0.000 1.046 235 I HN 0.213 nan 8.210 nan 0.000 0.413 236 R N 0.942 121.446 120.500 0.007 0.000 2.152 236 R HA -0.198 4.391 4.340 0.414 0.000 0.232 236 R C 1.427 177.732 176.300 0.009 0.000 1.117 236 R CA 1.821 57.929 56.100 0.014 0.000 0.981 236 R CB -0.413 29.903 30.300 0.026 0.000 0.870 236 R HN 0.347 nan 8.270 nan 0.000 0.451 237 D N 0.567 120.972 120.400 0.008 0.000 2.137 237 D HA -0.093 4.796 4.640 0.414 0.000 0.202 237 D C 2.073 178.373 176.300 -0.001 0.000 0.970 237 D CA 0.970 54.974 54.000 0.006 0.000 0.837 237 D CB -0.123 40.682 40.800 0.009 0.000 0.981 237 D HN 0.364 nan 8.370 nan 0.000 0.475 238 Q N -0.120 119.676 119.800 -0.006 0.000 2.096 238 Q HA -0.106 4.483 4.340 0.414 0.000 0.204 238 Q C 2.284 178.275 176.000 -0.014 0.000 0.982 238 Q CA 1.052 56.847 55.803 -0.013 0.000 0.850 238 Q CB -0.140 28.587 28.738 -0.019 0.000 0.901 238 Q HN 0.329 nan 8.270 nan 0.000 0.422 239 M N 0.050 119.643 119.600 -0.011 0.000 2.159 239 M HA -0.108 4.621 4.480 0.414 0.000 0.263 239 M C 2.158 178.453 176.300 -0.009 0.000 1.063 239 M CA 1.308 56.602 55.300 -0.010 0.000 1.110 239 M CB -0.221 32.377 32.600 -0.005 0.000 1.374 239 M HN 0.209 nan 8.290 nan 0.000 0.411 240 A N -0.274 122.543 122.820 -0.005 0.000 2.206 240 A HA 0.233 4.802 4.320 0.414 0.000 0.211 240 A C 2.102 179.682 177.584 -0.007 0.000 1.158 240 A CA 1.289 53.323 52.037 -0.004 0.000 0.761 240 A CB -0.529 18.471 19.000 0.000 0.000 0.801 240 A HN 0.483 nan 8.150 nan 0.000 0.473 241 A N -0.295 122.519 122.820 -0.010 0.000 2.014 241 A HA 0.233 4.802 4.320 0.414 0.000 0.210 241 A C 1.424 178.998 177.584 -0.017 0.000 1.188 241 A CA 0.975 53.005 52.037 -0.012 0.000 0.731 241 A CB -0.889 18.103 19.000 -0.013 0.000 0.858 241 A HN 0.505 nan 8.150 nan 0.000 0.464 242 T N 0.338 114.880 114.554 -0.020 0.000 2.902 242 T HA 0.243 4.842 4.350 0.414 0.000 0.301 242 T C -0.161 174.527 174.700 -0.021 0.000 1.012 242 T CA -0.248 61.838 62.100 -0.024 0.000 1.151 242 T CB 0.813 69.665 68.868 -0.026 0.000 0.946 242 T HN 0.406 nan 8.240 nan 0.000 0.542 243 E N 2.222 122.409 120.200 -0.023 0.000 2.044 243 E HA 0.130 4.729 4.350 0.414 0.000 0.282 243 E C -0.432 176.155 176.600 -0.022 0.000 1.031 243 E CA -0.691 55.696 56.400 -0.021 0.000 0.824 243 E CB 0.617 30.305 29.700 -0.020 0.000 1.076 243 E HN 0.568 nan 8.360 nan 0.000 0.395 244 Q N 4.227 124.014 119.800 -0.022 0.000 2.361 244 Q HA 0.090 4.679 4.340 0.414 0.000 0.250 244 Q C -0.743 175.244 176.000 -0.023 0.000 1.023 244 Q CA -0.230 55.560 55.803 -0.023 0.000 0.915 244 Q CB 0.685 29.409 28.738 -0.022 0.000 1.238 244 Q HN 0.464 nan 8.270 nan 0.000 0.451 245 D N 2.927 123.313 120.400 -0.023 0.000 2.378 245 D HA 0.026 4.915 4.640 0.414 0.000 0.238 245 D C -0.391 175.893 176.300 -0.026 0.000 1.180 245 D CA 0.254 54.240 54.000 -0.023 0.000 0.895 245 D CB 0.786 41.573 40.800 -0.022 0.000 1.192 245 D HN 0.481 nan 8.370 nan 0.000 0.438 246 K N 0.707 121.091 120.400 -0.027 0.000 2.249 246 K HA 0.135 4.704 4.320 0.414 0.000 0.280 246 K C 0.379 176.955 176.600 -0.039 0.000 1.033 246 K CA -0.357 55.912 56.287 -0.031 0.000 0.946 246 K CB 0.711 33.195 32.500 -0.028 0.000 1.005 246 K HN 0.262 nan 8.250 nan 0.000 0.469 247 T N 4.292 118.818 114.554 -0.047 0.000 2.923 247 T HA -0.049 4.550 4.350 0.414 0.000 0.309 247 T C -1.051 173.605 174.700 -0.073 0.000 1.059 247 T CA -0.973 61.088 62.100 -0.065 0.000 1.133 247 T CB 0.349 69.172 68.868 -0.074 0.000 1.053 247 T HN 0.498 nan 8.240 nan 0.000 0.530 248 P HA -0.106 nan 4.420 nan 0.000 0.218 248 P C 1.686 178.920 177.300 -0.110 0.000 1.148 248 P CA 0.707 63.752 63.100 -0.092 0.000 0.822 248 P CB 0.128 31.763 31.700 -0.107 0.000 0.784 249 L N 0.495 121.622 121.223 -0.161 0.000 1.976 249 L HA -0.162 4.427 4.340 0.414 0.000 0.209 249 L C 2.775 179.598 176.870 -0.078 0.000 1.071 249 L CA 1.970 56.717 54.840 -0.156 0.000 0.746 249 L CB -1.718 40.222 42.059 -0.198 0.000 0.890 249 L HN -0.124 nan 8.230 nan 0.000 0.432 250 Q N -0.973 118.788 119.800 -0.065 0.000 2.173 250 Q HA -0.303 4.286 4.340 0.414 0.000 0.208 250 Q C 2.189 178.176 176.000 -0.021 0.000 0.989 250 Q CA 2.280 58.062 55.803 -0.035 0.000 0.872 250 Q CB -0.239 28.477 28.738 -0.036 0.000 0.909 250 Q HN 0.687 nan 8.270 nan 0.000 0.420 251 Q N 0.172 119.955 119.800 -0.028 0.000 1.965 251 Q HA -0.144 4.445 4.340 0.414 0.000 0.200 251 Q C 2.124 178.125 176.000 0.002 0.000 0.981 251 Q CA 0.882 56.676 55.803 -0.014 0.000 0.834 251 Q CB -0.004 28.723 28.738 -0.018 0.000 0.900 251 Q HN 0.152 nan 8.270 nan 0.000 0.426 252 K N 0.839 121.235 120.400 -0.007 0.000 2.034 252 K HA -0.194 4.375 4.320 0.414 0.000 0.214 252 K C 2.091 178.715 176.600 0.040 0.000 1.051 252 K CA 1.015 57.308 56.287 0.010 0.000 0.931 252 K CB -0.794 31.698 32.500 -0.013 0.000 0.715 252 K HN 0.133 nan 8.250 nan 0.000 0.446 253 L N 1.992 123.230 121.223 0.024 0.000 2.187 253 L HA -0.194 4.395 4.340 0.414 0.000 0.213 253 L C 1.699 178.646 176.870 0.128 0.000 1.100 253 L CA 1.744 56.624 54.840 0.068 0.000 0.765 253 L CB -0.337 41.739 42.059 0.029 0.000 0.904 253 L HN 0.158 nan 8.230 nan 0.000 0.437 254 D N -0.769 119.672 120.400 0.069 0.000 2.110 254 D HA -0.173 4.716 4.640 0.414 0.000 0.202 254 D C 1.965 178.296 176.300 0.051 0.000 0.975 254 D CA 1.417 55.445 54.000 0.046 0.000 0.839 254 D CB -0.083 40.725 40.800 0.013 0.000 0.996 254 D HN 0.613 nan 8.370 nan 0.000 0.464 255 E N 0.573 120.809 120.200 0.060 0.000 2.171 255 E HA -0.231 4.368 4.350 0.414 0.000 0.197 255 E C 2.085 178.739 176.600 0.090 0.000 0.997 255 E CA 0.776 57.210 56.400 0.056 0.000 0.810 255 E CB -0.700 29.034 29.700 0.057 0.000 0.738 255 E HN 0.237 nan 8.360 nan 0.000 0.467 256 F N 2.423 122.360 119.950 -0.022 0.000 2.095 256 F HA -0.024 4.750 4.527 0.412 0.000 0.298 256 F C 2.238 178.019 175.800 -0.032 0.000 1.104 256 F CA 2.016 60.000 58.000 -0.027 0.000 1.232 256 F CB -0.804 38.175 39.000 -0.036 0.000 0.987 256 F HN 0.059 nan 8.300 nan 0.000 0.475 257 G N -0.039 108.587 108.800 -0.289 0.000 2.422 257 G HA2 -0.185 4.024 3.960 0.414 0.000 0.218 257 G HA3 -0.185 4.024 3.960 0.414 0.000 0.218 257 G C 1.521 176.266 174.900 -0.258 0.000 1.140 257 G CA 0.657 45.516 45.100 -0.401 0.000 0.775 257 G HN 0.373 nan 8.290 nan 0.000 0.545 258 E N 0.383 120.500 120.200 -0.138 0.000 2.085 258 E HA -0.126 4.473 4.350 0.414 0.000 0.194 258 E C 2.596 179.137 176.600 -0.099 0.000 0.994 258 E CA 0.867 57.213 56.400 -0.090 0.000 0.801 258 E CB -0.158 29.518 29.700 -0.041 0.000 0.743 258 E HN 0.355 nan 8.360 nan 0.000 0.453 259 Q N 0.291 120.032 119.800 -0.099 0.000 2.033 259 Q HA -0.041 4.547 4.340 0.414 0.000 0.196 259 Q C 2.382 178.295 176.000 -0.146 0.000 0.970 259 Q CA 0.323 56.082 55.803 -0.074 0.000 0.828 259 Q CB -0.593 28.152 28.738 0.012 0.000 0.895 259 Q HN 0.202 nan 8.270 nan 0.000 0.440 260 L N 1.060 122.098 121.223 -0.308 0.000 2.021 260 L HA -0.244 4.345 4.340 0.414 0.000 0.215 260 L C 2.426 179.156 176.870 -0.234 0.000 1.074 260 L CA 2.526 57.149 54.840 -0.362 0.000 0.760 260 L CB -1.269 40.350 42.059 -0.734 0.000 0.889 260 L HN 0.234 nan 8.230 nan 0.000 0.433 261 S N -0.924 114.643 115.700 -0.222 0.000 2.359 261 S HA -0.322 4.397 4.470 0.414 0.000 0.223 261 S C 2.184 176.715 174.600 -0.116 0.000 1.039 261 S CA 1.869 59.977 58.200 -0.153 0.000 1.042 261 S CB -0.457 62.665 63.200 -0.130 0.000 0.915 261 S HN 0.518 nan 8.310 nan 0.000 0.439 262 K N 1.052 121.392 120.400 -0.100 0.000 1.987 262 K HA -0.066 4.503 4.320 0.414 0.000 0.216 262 K C 1.981 178.536 176.600 -0.074 0.000 1.051 262 K CA 2.199 58.443 56.287 -0.073 0.000 0.942 262 K CB -1.325 31.143 32.500 -0.054 0.000 0.722 262 K HN 0.284 nan 8.250 nan 0.000 0.444 263 V N 1.607 121.474 119.914 -0.078 0.000 2.226 263 V HA -0.370 3.998 4.120 0.414 0.000 0.254 263 V C 2.357 178.392 176.094 -0.098 0.000 1.065 263 V CA 2.512 64.763 62.300 -0.081 0.000 1.039 263 V CB -0.572 31.202 31.823 -0.082 0.000 0.653 263 V HN 0.382 nan 8.190 nan 0.000 0.450 264 I N 1.192 121.698 120.570 -0.106 0.000 2.143 264 I HA -0.341 4.077 4.170 0.414 0.000 0.245 264 I C 2.645 178.710 176.117 -0.087 0.000 1.068 264 I CA 2.333 63.571 61.300 -0.102 0.000 1.326 264 I CB -0.883 37.053 38.000 -0.106 0.000 1.028 264 I HN 0.594 nan 8.210 nan 0.000 0.412 265 S N 0.742 116.394 115.700 -0.081 0.000 2.442 265 S HA -0.091 4.628 4.470 0.414 0.000 0.236 265 S C 1.924 176.495 174.600 -0.050 0.000 1.007 265 S CA 0.709 58.869 58.200 -0.067 0.000 0.965 265 S CB -0.297 62.864 63.200 -0.065 0.000 0.773 265 S HN 0.314 nan 8.310 nan 0.000 0.504 266 L N 0.986 122.174 121.223 -0.058 0.000 2.127 266 L HA 0.281 4.869 4.340 0.414 0.000 0.203 266 L C 2.441 179.276 176.870 -0.057 0.000 1.080 266 L CA 1.101 55.911 54.840 -0.049 0.000 0.768 266 L CB -1.125 40.897 42.059 -0.061 0.000 0.924 266 L HN 0.371 nan 8.230 nan 0.000 0.444 267 I N -0.725 119.781 120.570 -0.106 0.000 2.286 267 I HA -0.353 4.065 4.170 0.414 0.000 0.248 267 I C 2.689 178.828 176.117 0.037 0.000 1.115 267 I CA 0.922 62.139 61.300 -0.138 0.000 1.392 267 I CB -0.270 37.615 38.000 -0.192 0.000 1.065 267 I HN 0.302 nan 8.210 nan 0.000 0.418 268 C N -0.021 119.289 119.300 0.016 0.000 2.436 268 C HA -0.131 4.578 4.460 0.414 0.000 0.277 268 C C 2.877 177.931 174.990 0.106 0.000 1.241 268 C CA 0.486 59.529 59.018 0.043 0.000 1.721 268 C CB -0.836 26.893 27.740 -0.018 0.000 2.043 268 C HN 0.342 nan 8.230 nan 0.000 0.472 269 V N 1.513 121.477 119.914 0.083 0.000 2.332 269 V HA -0.239 4.129 4.120 0.414 0.000 0.248 269 V C 2.708 178.923 176.094 0.202 0.000 1.055 269 V CA 2.266 64.650 62.300 0.141 0.000 1.038 269 V CB -1.374 30.500 31.823 0.084 0.000 0.651 269 V HN 0.624 nan 8.190 nan 0.000 0.450 270 A N -0.116 122.797 122.820 0.154 0.000 1.841 270 A HA -0.201 4.367 4.320 0.414 0.000 0.216 270 A C 2.404 180.127 177.584 0.232 0.000 1.199 270 A CA 2.335 54.486 52.037 0.190 0.000 0.621 270 A CB -1.009 18.106 19.000 0.192 0.000 0.835 270 A HN 0.277 nan 8.150 nan 0.000 0.445 271 V N -1.703 118.381 119.914 0.284 0.000 2.226 271 V HA -0.362 4.006 4.120 0.414 0.000 0.254 271 V C 2.184 178.343 176.094 0.109 0.000 1.065 271 V CA 2.700 65.089 62.300 0.149 0.000 1.039 271 V CB -1.157 30.713 31.823 0.079 0.000 0.653 271 V HN 0.860 nan 8.190 nan 0.000 0.450 272 W N 0.395 121.702 121.300 0.011 0.000 2.301 272 W HA -0.247 4.661 4.660 0.414 0.000 0.325 272 W C 2.296 178.841 176.519 0.044 0.000 1.250 272 W CA 2.332 59.717 57.345 0.068 0.000 1.261 272 W CB -0.646 28.859 29.460 0.075 0.000 1.157 272 W HN 0.219 nan 8.180 nan 0.000 0.473 273 L N 0.177 121.412 121.223 0.020 0.000 2.261 273 L HA -0.277 4.312 4.340 0.414 0.000 0.216 273 L C 2.301 179.084 176.870 -0.145 0.000 1.114 273 L CA 0.717 55.454 54.840 -0.171 0.000 0.777 273 L CB -0.942 41.125 42.059 0.013 0.000 0.910 273 L HN 0.086 nan 8.230 nan 0.000 0.440 274 I N 0.104 120.631 120.570 -0.071 0.000 2.130 274 I HA -0.211 4.208 4.170 0.414 0.000 0.234 274 I C 1.125 177.174 176.117 -0.114 0.000 1.067 274 I CA 1.347 62.603 61.300 -0.075 0.000 1.339 274 I CB -0.740 37.210 38.000 -0.084 0.000 1.073 274 I HN 0.295 nan 8.210 nan 0.000 0.405 275 N N 1.874 120.504 118.700 -0.116 0.000 2.968 275 N HA 0.204 5.193 4.740 0.414 0.000 0.271 275 N C 0.025 175.421 175.510 -0.191 0.000 1.174 275 N CA -0.127 52.861 53.050 -0.102 0.000 1.096 275 N CB 0.287 38.765 38.487 -0.015 0.000 1.403 275 N HN 0.247 nan 8.380 nan 0.000 0.522 276 I N 0.858 121.282 120.570 -0.243 0.000 3.555 276 I HA 0.149 4.568 4.170 0.414 0.000 0.343 276 I C 1.634 177.673 176.117 -0.129 0.000 1.426 276 I CA -0.308 60.816 61.300 -0.293 0.000 1.157 276 I CB 0.106 37.924 38.000 -0.303 0.000 1.526 276 I HN 0.435 nan 8.210 nan 0.000 0.461 277 G N 1.035 109.723 108.800 -0.186 0.000 2.551 277 G HA2 -0.152 4.057 3.960 0.414 0.000 0.214 277 G HA3 -0.152 4.057 3.960 0.414 0.000 0.214 277 G C 1.377 176.296 174.900 0.032 0.000 1.250 277 G CA 0.301 45.353 45.100 -0.081 0.000 0.825 277 G HN 0.450 nan 8.290 nan 0.000 0.549 278 H N -0.239 118.880 119.070 0.082 0.000 2.472 278 H HA -0.122 4.682 4.556 0.414 0.000 0.296 278 H C 1.606 177.025 175.328 0.152 0.000 1.120 278 H CA 0.726 56.829 56.048 0.092 0.000 1.250 278 H CB -0.616 29.120 29.762 -0.042 0.000 1.366 278 H HN 0.352 nan 8.280 nan 0.000 0.524 279 F N 1.004 120.974 119.950 0.033 0.000 2.696 279 F HA 0.156 4.932 4.527 0.415 0.000 0.296 279 F C 0.910 176.722 175.800 0.021 0.000 1.181 279 F CA -0.007 58.011 58.000 0.029 0.000 1.411 279 F CB 0.026 39.006 39.000 -0.033 0.000 1.014 279 F HN 0.082 nan 8.300 nan 0.000 0.512 280 N N -1.638 117.059 118.700 -0.006 0.000 1.848 280 N HA -0.028 4.961 4.740 0.414 0.000 0.236 280 N C 0.184 175.693 175.510 -0.003 0.000 1.427 280 N CA 0.744 53.755 53.050 -0.065 0.000 0.732 280 N CB 0.341 38.802 38.487 -0.044 0.000 1.067 280 N HN 0.149 nan 8.380 nan 0.000 0.540 281 D N -0.873 119.562 120.400 0.058 0.000 2.900 281 D HA 0.224 5.113 4.640 0.414 0.000 0.175 281 D C -1.909 174.448 176.300 0.095 0.000 1.476 281 D CA 0.232 54.269 54.000 0.062 0.000 1.488 281 D CB -1.077 39.758 40.800 0.058 0.000 1.426 281 D HN 0.022 nan 8.370 nan 0.000 0.295 282 P HA -0.036 nan 4.420 nan 0.000 0.259 282 P C 0.601 177.998 177.300 0.161 0.000 1.155 282 P CA 0.244 63.445 63.100 0.169 0.000 0.759 282 P CB 0.589 32.454 31.700 0.275 0.000 0.753 283 V N 2.776 122.708 119.914 0.030 0.000 3.906 283 V HA 0.047 4.416 4.120 0.414 0.000 0.265 283 V C 1.992 178.035 176.094 -0.086 0.000 0.910 283 V CA 0.153 62.422 62.300 -0.051 0.000 0.858 283 V CB -0.396 31.270 31.823 -0.262 0.000 1.199 283 V HN 0.656 nan 8.190 nan 0.000 0.390 284 H N 0.876 119.880 119.070 -0.111 0.000 2.253 284 H HA 0.054 4.858 4.556 0.414 0.000 0.296 284 H C 1.691 176.820 175.328 -0.330 0.000 1.074 284 H CA 1.193 57.052 56.048 -0.315 0.000 1.263 284 H CB -1.401 28.198 29.762 -0.271 0.000 1.363 284 H HN 1.351 nan 8.280 nan 0.000 0.489 285 G N 0.342 108.949 108.800 -0.322 0.000 2.634 285 G HA2 -0.251 3.957 3.960 0.414 0.000 0.309 285 G HA3 -0.251 3.957 3.960 0.414 0.000 0.309 285 G C 1.012 175.842 174.900 -0.118 0.000 1.265 285 G CA 1.674 46.668 45.100 -0.178 0.000 0.998 285 G HN 1.185 nan 8.290 nan 0.000 0.551 286 G N -2.685 106.071 108.800 -0.075 0.000 3.894 286 G HA2 0.365 4.574 3.960 0.414 0.000 0.179 286 G HA3 0.365 4.574 3.960 0.414 0.000 0.179 286 G C 0.763 175.694 174.900 0.052 0.000 1.083 286 G CA 1.239 46.317 45.100 -0.036 0.000 0.841 286 G HN 1.391 nan 8.290 nan 0.000 0.598 287 S N 0.833 116.580 115.700 0.077 0.000 2.859 287 S HA 0.101 4.820 4.470 0.414 0.000 0.245 287 S C 1.018 175.698 174.600 0.134 0.000 1.008 287 S CA -0.306 57.943 58.200 0.080 0.000 1.089 287 S CB -0.313 62.902 63.200 0.024 0.000 0.798 287 S HN 0.484 nan 8.310 nan 0.000 0.477 288 W N 0.494 121.733 121.300 -0.102 0.000 2.576 288 W HA 0.294 5.203 4.660 0.415 0.000 0.270 288 W C 1.697 178.175 176.519 -0.068 0.000 1.255 288 W CA -0.638 56.645 57.345 -0.103 0.000 1.314 288 W CB -0.285 29.146 29.460 -0.047 0.000 1.101 288 W HN 0.383 nan 8.180 nan 0.000 0.595 289 I N -0.291 120.389 120.570 0.184 0.000 2.867 289 I HA 0.023 4.442 4.170 0.414 0.000 0.265 289 I C 2.483 178.650 176.117 0.083 0.000 1.162 289 I CA 1.223 62.591 61.300 0.113 0.000 1.471 289 I CB -0.441 37.644 38.000 0.142 0.000 1.123 289 I HN -0.203 nan 8.210 nan 0.000 0.440 290 R N 0.339 120.893 120.500 0.090 0.000 2.062 290 R HA -0.033 4.556 4.340 0.414 0.000 0.229 290 R C 2.069 178.434 176.300 0.108 0.000 1.128 290 R CA 1.249 57.411 56.100 0.103 0.000 0.960 290 R CB -0.821 29.534 30.300 0.091 0.000 0.855 290 R HN 0.455 nan 8.270 nan 0.000 0.432 291 G N -0.576 108.247 108.800 0.037 0.000 2.653 291 G HA2 -0.134 4.075 3.960 0.414 0.000 0.212 291 G HA3 -0.134 4.075 3.960 0.414 0.000 0.212 291 G C 1.016 175.870 174.900 -0.075 0.000 1.138 291 G CA 0.776 45.885 45.100 0.014 0.000 0.782 291 G HN 0.465 nan 8.290 nan 0.000 0.535 292 A N 0.489 123.289 122.820 -0.033 0.000 1.909 292 A HA 0.331 4.899 4.320 0.414 0.000 0.210 292 A C 2.218 179.824 177.584 0.036 0.000 1.273 292 A CA 0.419 52.392 52.037 -0.106 0.000 0.654 292 A CB -0.146 18.745 19.000 -0.182 0.000 0.945 292 A HN 0.232 nan 8.150 nan 0.000 0.471 293 I N -1.058 119.555 120.570 0.071 0.000 2.087 293 I HA -0.368 4.051 4.170 0.414 0.000 0.240 293 I C 2.491 178.793 176.117 0.308 0.000 1.054 293 I CA 2.423 63.815 61.300 0.152 0.000 1.311 293 I CB -0.680 37.425 38.000 0.175 0.000 1.024 293 I HN 0.563 nan 8.210 nan 0.000 0.402 294 Y N 1.116 121.562 120.300 0.243 0.000 2.096 294 Y HA -0.380 4.419 4.550 0.416 0.000 0.278 294 Y C 2.493 178.630 175.900 0.395 0.000 1.192 294 Y CA 1.999 60.282 58.100 0.305 0.000 1.143 294 Y CB -0.682 37.984 38.460 0.343 0.000 0.963 294 Y HN 0.112 nan 8.280 nan 0.000 0.505 295 Y N -1.665 118.803 120.300 0.280 0.000 2.274 295 Y HA -0.188 4.610 4.550 0.414 0.000 0.290 295 Y C 2.075 178.141 175.900 0.277 0.000 1.145 295 Y CA 1.294 59.539 58.100 0.241 0.000 1.203 295 Y CB -0.803 37.873 38.460 0.360 0.000 0.984 295 Y HN 0.194 nan 8.280 nan 0.000 0.533 296 F N -0.470 119.579 119.950 0.164 0.000 2.387 296 F HA 0.067 4.842 4.527 0.414 0.000 0.294 296 F C 2.219 178.036 175.800 0.027 0.000 1.093 296 F CA 0.519 58.564 58.000 0.076 0.000 1.420 296 F CB -0.556 38.487 39.000 0.073 0.000 1.086 296 F HN -0.149 nan 8.300 nan 0.000 0.531 297 K N 0.639 121.170 120.400 0.219 0.000 2.152 297 K HA -0.183 4.386 4.320 0.414 0.000 0.206 297 K C 1.715 178.310 176.600 -0.009 0.000 1.048 297 K CA 1.731 58.078 56.287 0.100 0.000 0.933 297 K CB -0.257 32.301 32.500 0.097 0.000 0.721 297 K HN 0.364 nan 8.250 nan 0.000 0.447 298 I N -3.176 117.335 120.570 -0.099 0.000 3.728 298 I HA 0.196 4.615 4.170 0.414 0.000 0.307 298 I C 1.595 177.659 176.117 -0.087 0.000 1.276 298 I CA 0.475 61.688 61.300 -0.144 0.000 1.285 298 I CB 0.232 38.057 38.000 -0.292 0.000 1.038 298 I HN -0.099 nan 8.210 nan 0.000 0.445 299 A N 1.778 124.554 122.820 -0.074 0.000 1.874 299 A HA -0.011 4.558 4.320 0.414 0.000 0.214 299 A C 2.365 179.902 177.584 -0.078 0.000 1.189 299 A CA 2.001 53.976 52.037 -0.104 0.000 0.615 299 A CB -1.234 17.646 19.000 -0.201 0.000 0.830 299 A HN 0.467 nan 8.150 nan 0.000 0.443 300 V N -2.231 117.651 119.914 -0.052 0.000 2.392 300 V HA -0.090 4.279 4.120 0.414 0.000 0.249 300 V C 2.252 178.337 176.094 -0.015 0.000 1.059 300 V CA 1.920 64.206 62.300 -0.025 0.000 1.051 300 V CB -1.419 30.412 31.823 0.013 0.000 0.658 300 V HN 0.545 nan 8.190 nan 0.000 0.455 301 A N -0.674 122.137 122.820 -0.014 0.000 2.302 301 A HA 0.395 4.963 4.320 0.414 0.000 0.219 301 A C 1.885 179.457 177.584 -0.020 0.000 1.243 301 A CA 0.599 52.631 52.037 -0.008 0.000 0.856 301 A CB -0.207 18.790 19.000 -0.005 0.000 0.893 301 A HN 0.480 nan 8.150 nan 0.000 0.491 302 L N -1.953 119.249 121.223 -0.034 0.000 2.500 302 L HA 0.278 4.867 4.340 0.414 0.000 0.219 302 L C 2.247 179.089 176.870 -0.046 0.000 1.057 302 L CA 1.634 56.451 54.840 -0.038 0.000 0.854 302 L CB -0.628 41.402 42.059 -0.048 0.000 1.078 302 L HN 0.371 nan 8.230 nan 0.000 0.480 303 A N 0.245 123.036 122.820 -0.049 0.000 1.843 303 A HA -0.091 4.478 4.320 0.414 0.000 0.213 303 A C 2.059 179.620 177.584 -0.038 0.000 1.239 303 A CA 1.750 53.755 52.037 -0.053 0.000 0.606 303 A CB -1.088 17.880 19.000 -0.053 0.000 0.903 303 A HN 0.251 nan 8.150 nan 0.000 0.455 304 V N -1.936 117.965 119.914 -0.021 0.000 2.764 304 V HA -0.151 4.217 4.120 0.414 0.000 0.261 304 V C 2.242 178.329 176.094 -0.010 0.000 1.108 304 V CA 2.155 64.450 62.300 -0.008 0.000 1.129 304 V CB -1.493 30.338 31.823 0.013 0.000 0.701 304 V HN 0.561 nan 8.190 nan 0.000 0.495 305 A N 0.134 122.944 122.820 -0.017 0.000 1.903 305 A HA 0.437 5.006 4.320 0.414 0.000 0.213 305 A C 2.408 179.975 177.584 -0.027 0.000 1.185 305 A CA 1.569 53.595 52.037 -0.018 0.000 0.628 305 A CB -0.687 18.304 19.000 -0.016 0.000 0.830 305 A HN 0.884 nan 8.150 nan 0.000 0.446 306 A N -0.289 122.509 122.820 -0.037 0.000 1.878 306 A HA 0.269 4.837 4.320 0.414 0.000 0.213 306 A C 0.873 178.438 177.584 -0.031 0.000 1.192 306 A CA 0.297 52.309 52.037 -0.042 0.000 0.619 306 A CB -0.309 18.647 19.000 -0.074 0.000 0.837 306 A HN 0.304 nan 8.150 nan 0.000 0.446 307 I N 2.279 122.820 120.570 -0.047 0.000 2.769 307 I HA 0.031 4.450 4.170 0.414 0.000 0.285 307 I C -1.987 174.129 176.117 -0.002 0.000 1.173 307 I CA -1.651 59.627 61.300 -0.038 0.000 1.389 307 I CB -0.027 37.946 38.000 -0.045 0.000 1.404 307 I HN 0.179 nan 8.210 nan 0.000 0.544 308 P HA 0.098 nan 4.420 nan 0.000 0.225 308 P C 0.157 177.462 177.300 0.009 0.000 1.768 308 P CA -0.208 62.912 63.100 0.033 0.000 0.943 308 P CB 0.076 31.833 31.700 0.095 0.000 1.936 309 E N 0.967 121.161 120.200 -0.011 0.000 2.404 309 E HA 0.342 4.941 4.350 0.414 0.000 0.261 309 E C 1.560 178.135 176.600 -0.041 0.000 1.074 309 E CA 1.364 57.751 56.400 -0.022 0.000 0.917 309 E CB -0.155 29.531 29.700 -0.024 0.000 0.965 309 E HN 0.376 nan 8.360 nan 0.000 0.433 310 G N 2.853 111.624 108.800 -0.047 0.000 2.258 310 G HA2 -0.328 3.881 3.960 0.414 0.000 0.233 310 G HA3 -0.328 3.881 3.960 0.414 0.000 0.233 310 G C 0.886 175.740 174.900 -0.076 0.000 1.006 310 G CA 0.355 45.413 45.100 -0.070 0.000 0.620 310 G HN 0.582 nan 8.290 nan 0.000 0.511 311 L N 1.944 123.139 121.223 -0.046 0.000 1.994 311 L HA 0.062 4.651 4.340 0.414 0.000 0.208 311 L C 0.831 177.698 176.870 -0.005 0.000 1.071 311 L CA 2.833 57.663 54.840 -0.015 0.000 0.745 311 L CB -0.836 41.244 42.059 0.036 0.000 0.892 311 L HN 0.288 nan 8.230 nan 0.000 0.431 312 P HA -0.267 nan 4.420 nan 0.000 0.216 312 P C 1.404 178.688 177.300 -0.028 0.000 1.153 312 P CA 2.389 65.489 63.100 -0.001 0.000 0.858 312 P CB -0.184 31.508 31.700 -0.014 0.000 0.789 313 A N -0.191 122.596 122.820 -0.054 0.000 1.908 313 A HA -0.133 4.435 4.320 0.414 0.000 0.218 313 A C 2.548 180.065 177.584 -0.112 0.000 1.181 313 A CA 2.053 54.046 52.037 -0.072 0.000 0.627 313 A CB -1.638 17.315 19.000 -0.078 0.000 0.818 313 A HN 0.095 nan 8.150 nan 0.000 0.445 314 V N 0.832 120.644 119.914 -0.170 0.000 2.244 314 V HA -0.275 4.093 4.120 0.414 0.000 0.244 314 V C 2.484 178.409 176.094 -0.283 0.000 1.042 314 V CA 2.078 64.171 62.300 -0.344 0.000 1.006 314 V CB -1.039 30.428 31.823 -0.593 0.000 0.641 314 V HN 0.770 nan 8.190 nan 0.000 0.446 315 I N -0.374 120.164 120.570 -0.053 0.000 2.479 315 I HA -0.219 4.200 4.170 0.414 0.000 0.258 315 I C 1.988 178.146 176.117 0.069 0.000 1.165 315 I CA 2.150 63.565 61.300 0.193 0.000 1.422 315 I CB -1.618 36.508 38.000 0.211 0.000 1.087 315 I HN 0.216 nan 8.210 nan 0.000 0.441 316 T N 0.377 114.929 114.554 -0.003 0.000 2.852 316 T HA -0.057 4.541 4.350 0.414 0.000 0.256 316 T C 1.797 176.487 174.700 -0.017 0.000 1.038 316 T CA 1.837 63.934 62.100 -0.006 0.000 1.141 316 T CB -0.578 68.281 68.868 -0.015 0.000 0.869 316 T HN 0.492 nan 8.240 nan 0.000 0.439 317 T N 1.498 116.020 114.554 -0.053 0.000 2.759 317 T HA -0.172 4.426 4.350 0.414 0.000 0.269 317 T C 2.265 176.950 174.700 -0.025 0.000 1.042 317 T CA 1.197 63.272 62.100 -0.043 0.000 1.140 317 T CB -0.920 67.902 68.868 -0.078 0.000 0.864 317 T HN 0.509 nan 8.240 nan 0.000 0.455 318 C N 1.321 120.585 119.300 -0.059 0.000 2.455 318 C HA -0.027 4.682 4.460 0.414 0.000 0.281 318 C C 2.496 177.513 174.990 0.044 0.000 1.237 318 C CA 0.493 59.503 59.018 -0.012 0.000 1.726 318 C CB -1.431 26.337 27.740 0.047 0.000 2.068 318 C HN 0.389 nan 8.230 nan 0.000 0.466 319 L N 2.074 123.328 121.223 0.051 0.000 1.971 319 L HA -0.096 4.492 4.340 0.414 0.000 0.215 319 L C 2.977 179.865 176.870 0.029 0.000 1.072 319 L CA 2.647 57.513 54.840 0.043 0.000 0.758 319 L CB -1.594 40.487 42.059 0.036 0.000 0.889 319 L HN 0.517 nan 8.230 nan 0.000 0.433 320 A N -0.546 122.287 122.820 0.022 0.000 1.881 320 A HA -0.269 4.300 4.320 0.414 0.000 0.219 320 A C 2.342 179.938 177.584 0.020 0.000 1.215 320 A CA 2.415 54.462 52.037 0.018 0.000 0.648 320 A CB -1.113 17.896 19.000 0.015 0.000 0.832 320 A HN 0.422 nan 8.150 nan 0.000 0.455 321 L N -0.921 120.319 121.223 0.030 0.000 2.012 321 L HA -0.190 4.399 4.340 0.414 0.000 0.210 321 L C 2.894 179.778 176.870 0.024 0.000 1.073 321 L CA 1.320 56.178 54.840 0.030 0.000 0.748 321 L CB -1.089 41.015 42.059 0.074 0.000 0.891 321 L HN 0.545 nan 8.230 nan 0.000 0.431 322 G N -0.842 107.980 108.800 0.038 0.000 2.440 322 G HA2 -0.262 3.946 3.960 0.414 0.000 0.218 322 G HA3 -0.262 3.946 3.960 0.414 0.000 0.218 322 G C 1.554 176.463 174.900 0.014 0.000 1.154 322 G CA 1.389 46.507 45.100 0.030 0.000 0.767 322 G HN 0.301 nan 8.290 nan 0.000 0.552 323 T N 1.643 116.205 114.554 0.013 0.000 2.643 323 T HA -0.156 4.442 4.350 0.414 0.000 0.264 323 T C 2.450 177.151 174.700 0.002 0.000 1.045 323 T CA 1.899 64.003 62.100 0.006 0.000 1.155 323 T CB -0.225 68.648 68.868 0.007 0.000 0.863 323 T HN 0.550 nan 8.240 nan 0.000 0.420 324 R N 1.779 122.281 120.500 0.002 0.000 2.211 324 R HA -0.014 4.575 4.340 0.414 0.000 0.240 324 R C 2.073 178.369 176.300 -0.007 0.000 1.144 324 R CA 1.386 57.485 56.100 -0.002 0.000 0.992 324 R CB -0.669 29.630 30.300 -0.003 0.000 0.869 324 R HN 0.340 nan 8.270 nan 0.000 0.462 325 R N 0.702 121.197 120.500 -0.008 0.000 2.078 325 R HA 0.019 4.608 4.340 0.414 0.000 0.224 325 R C 2.207 178.500 176.300 -0.010 0.000 1.149 325 R CA 2.051 58.144 56.100 -0.013 0.000 0.916 325 R CB -0.288 30.005 30.300 -0.012 0.000 0.821 325 R HN 0.270 nan 8.270 nan 0.000 0.434 326 M N 0.495 120.090 119.600 -0.008 0.000 2.192 326 M HA -0.239 4.490 4.480 0.414 0.000 0.256 326 M C 2.389 178.683 176.300 -0.011 0.000 1.076 326 M CA 1.800 57.093 55.300 -0.011 0.000 1.075 326 M CB -0.507 32.086 32.600 -0.011 0.000 1.368 326 M HN 0.399 nan 8.290 nan 0.000 0.406 327 A N 0.501 123.316 122.820 -0.008 0.000 1.927 327 A HA -0.193 4.375 4.320 0.414 0.000 0.220 327 A C 2.133 179.713 177.584 -0.007 0.000 1.185 327 A CA 1.711 53.744 52.037 -0.007 0.000 0.639 327 A CB -0.538 18.459 19.000 -0.004 0.000 0.820 327 A HN 0.369 nan 8.150 nan 0.000 0.451 328 K N -0.290 120.105 120.400 -0.008 0.000 2.555 328 K HA 0.002 4.571 4.320 0.414 0.000 0.193 328 K C 0.592 177.187 176.600 -0.008 0.000 1.032 328 K CA 0.677 56.960 56.287 -0.007 0.000 1.004 328 K CB 0.004 32.500 32.500 -0.008 0.000 0.804 328 K HN 0.541 nan 8.250 nan 0.000 0.496 329 K N 0.827 121.221 120.400 -0.011 0.000 2.440 329 K HA 0.112 4.681 4.320 0.414 0.000 0.206 329 K C -0.309 176.282 176.600 -0.015 0.000 1.025 329 K CA -0.173 56.106 56.287 -0.014 0.000 1.135 329 K CB 0.367 32.856 32.500 -0.018 0.000 0.856 329 K HN 0.042 nan 8.250 nan 0.000 0.502 330 N N 0.178 118.872 118.700 -0.011 0.000 2.741 330 N HA -0.179 4.810 4.740 0.414 0.000 0.251 330 N C -0.703 174.799 175.510 -0.013 0.000 1.112 330 N CA 1.115 54.160 53.050 -0.009 0.000 0.750 330 N CB -1.371 37.112 38.487 -0.007 0.000 1.119 330 N HN 0.336 nan 8.380 nan 0.000 0.561 331 A N 0.619 123.429 122.820 -0.016 0.000 2.319 331 A HA 0.750 5.318 4.320 0.414 0.000 0.310 331 A C 0.139 177.715 177.584 -0.014 0.000 1.152 331 A CA -0.527 51.498 52.037 -0.020 0.000 0.783 331 A CB 1.005 19.988 19.000 -0.028 0.000 1.184 331 A HN 0.228 nan 8.150 nan 0.000 0.474 332 I N 3.924 124.487 120.570 -0.012 0.000 2.405 332 I HA 0.227 4.646 4.170 0.414 0.000 0.280 332 I C -0.620 175.492 176.117 -0.009 0.000 1.027 332 I CA -0.704 60.591 61.300 -0.008 0.000 1.161 332 I CB 1.604 39.600 38.000 -0.005 0.000 1.300 332 I HN 0.293 nan 8.210 nan 0.000 0.463 333 V N 7.334 127.243 119.914 -0.009 0.000 2.461 333 V HA 0.273 4.642 4.120 0.414 0.000 0.275 333 V C 1.193 177.283 176.094 -0.007 0.000 1.047 333 V CA -0.202 62.092 62.300 -0.009 0.000 0.955 333 V CB 1.269 33.086 31.823 -0.010 0.000 0.988 333 V HN 0.746 nan 8.190 nan 0.000 0.471 334 R N 2.159 122.654 120.500 -0.008 0.000 2.064 334 R HA 0.073 4.661 4.340 0.414 0.000 0.221 334 R C 1.151 177.447 176.300 -0.008 0.000 1.136 334 R CA 0.544 56.639 56.100 -0.007 0.000 0.980 334 R CB -0.096 30.199 30.300 -0.008 0.000 0.876 334 R HN 0.567 nan 8.270 nan 0.000 0.437 335 S N 2.189 117.882 115.700 -0.011 0.000 2.416 335 S HA 0.093 4.812 4.470 0.414 0.000 0.302 335 S C 1.503 176.096 174.600 -0.012 0.000 1.120 335 S CA -0.504 57.688 58.200 -0.013 0.000 1.067 335 S CB 0.170 63.360 63.200 -0.017 0.000 1.057 335 S HN 0.163 nan 8.310 nan 0.000 0.518 336 L N 6.496 127.715 121.223 -0.007 0.000 2.054 336 L HA -0.115 4.474 4.340 0.414 0.000 0.220 336 L C -0.638 176.227 176.870 -0.008 0.000 1.081 336 L CA 2.373 57.211 54.840 -0.003 0.000 0.780 336 L CB -2.591 39.469 42.059 0.001 0.000 0.893 336 L HN 0.517 nan 8.230 nan 0.000 0.438 337 P HA -0.068 nan 4.420 nan 0.000 0.220 337 P C 1.897 179.175 177.300 -0.037 0.000 1.148 337 P CA 1.045 64.129 63.100 -0.027 0.000 0.803 337 P CB 0.077 31.758 31.700 -0.031 0.000 0.782 338 S N -0.213 115.468 115.700 -0.031 0.000 2.400 338 S HA -0.136 4.583 4.470 0.414 0.000 0.232 338 S C 1.887 176.468 174.600 -0.033 0.000 1.025 338 S CA 1.482 59.662 58.200 -0.034 0.000 0.993 338 S CB -1.408 61.776 63.200 -0.026 0.000 0.808 338 S HN 0.145 nan 8.310 nan 0.000 0.478 339 V N 0.510 120.411 119.914 -0.021 0.000 2.764 339 V HA -0.184 4.185 4.120 0.414 0.000 0.261 339 V C 2.016 178.100 176.094 -0.017 0.000 1.108 339 V CA 2.048 64.342 62.300 -0.011 0.000 1.129 339 V CB -0.524 31.302 31.823 0.004 0.000 0.701 339 V HN 0.408 nan 8.190 nan 0.000 0.495 340 E N 0.762 120.934 120.200 -0.047 0.000 2.065 340 E HA -0.132 4.467 4.350 0.414 0.000 0.191 340 E C 2.301 178.830 176.600 -0.119 0.000 0.960 340 E CA 1.399 57.738 56.400 -0.101 0.000 0.824 340 E CB -0.177 29.418 29.700 -0.175 0.000 0.793 340 E HN 0.562 nan 8.360 nan 0.000 0.459 341 T N 1.367 115.856 114.554 -0.107 0.000 2.822 341 T HA -0.161 4.438 4.350 0.414 0.000 0.270 341 T C 2.001 176.669 174.700 -0.054 0.000 1.064 341 T CA 1.206 63.254 62.100 -0.088 0.000 1.131 341 T CB -0.296 68.532 68.868 -0.067 0.000 0.858 341 T HN 0.081 nan 8.240 nan 0.000 0.483 342 L N 1.482 122.680 121.223 -0.042 0.000 1.943 342 L HA 0.138 4.727 4.340 0.414 0.000 0.215 342 L C 2.729 179.589 176.870 -0.017 0.000 1.074 342 L CA 2.503 57.327 54.840 -0.027 0.000 0.759 342 L CB -1.463 40.582 42.059 -0.023 0.000 0.888 342 L HN 0.324 nan 8.230 nan 0.000 0.433 343 G N -1.637 107.159 108.800 -0.006 0.000 2.568 343 G HA2 -0.273 3.935 3.960 0.414 0.000 0.220 343 G HA3 -0.273 3.935 3.960 0.414 0.000 0.220 343 G C 1.186 176.099 174.900 0.022 0.000 1.104 343 G CA 1.126 46.237 45.100 0.018 0.000 0.738 343 G HN 0.612 nan 8.290 nan 0.000 0.574 344 C N 0.746 120.046 119.300 -0.000 0.000 2.791 344 C HA 0.224 4.933 4.460 0.414 0.000 0.270 344 C C 1.321 176.314 174.990 0.006 0.000 1.257 344 C CA -0.896 58.124 59.018 0.004 0.000 1.699 344 C CB -1.165 26.559 27.740 -0.025 0.000 1.904 344 C HN 0.285 nan 8.230 nan 0.000 0.603 345 T N 1.986 116.542 114.554 0.003 0.000 2.596 345 T HA -0.080 4.519 4.350 0.414 0.000 0.252 345 T C 1.245 175.956 174.700 0.019 0.000 1.033 345 T CA 0.926 63.030 62.100 0.007 0.000 1.215 345 T CB 0.482 69.350 68.868 -0.000 0.000 1.011 345 T HN 0.621 nan 8.240 nan 0.000 0.498 346 S N 3.221 118.937 115.700 0.026 0.000 2.327 346 S HA 0.110 4.828 4.470 0.414 0.000 0.213 346 S C 0.755 175.380 174.600 0.042 0.000 1.032 346 S CA 0.303 58.524 58.200 0.035 0.000 0.960 346 S CB 0.312 63.538 63.200 0.044 0.000 0.900 346 S HN 0.494 nan 8.310 nan 0.000 0.469 347 V N 1.705 121.649 119.914 0.050 0.000 2.815 347 V HA 0.592 4.961 4.120 0.414 0.000 0.314 347 V C -0.632 175.500 176.094 0.063 0.000 1.064 347 V CA -0.785 61.551 62.300 0.060 0.000 0.952 347 V CB 1.726 33.594 31.823 0.076 0.000 1.020 347 V HN 0.380 nan 8.190 nan 0.000 0.439 348 I N 1.763 122.382 120.570 0.082 0.000 2.466 348 I HA 0.396 4.814 4.170 0.414 0.000 0.289 348 I C -1.034 175.154 176.117 0.118 0.000 1.026 348 I CA -0.183 61.179 61.300 0.104 0.000 1.078 348 I CB 1.908 39.998 38.000 0.151 0.000 1.249 348 I HN 0.539 nan 8.210 nan 0.000 0.429 349 C N 4.513 123.873 119.300 0.099 0.000 2.264 349 C HA 0.526 5.235 4.460 0.414 0.000 0.322 349 C C 0.556 175.602 174.990 0.093 0.000 1.210 349 C CA -0.317 58.754 59.018 0.087 0.000 1.539 349 C CB 0.361 28.133 27.740 0.054 0.000 2.167 349 C HN 0.761 nan 8.230 nan 0.000 0.463 350 S N 2.125 117.884 115.700 0.098 0.000 2.568 350 S HA 0.451 5.170 4.470 0.414 0.000 0.302 350 S C -0.816 173.806 174.600 0.038 0.000 1.082 350 S CA -0.485 57.778 58.200 0.105 0.000 1.009 350 S CB 0.756 64.082 63.200 0.210 0.000 1.069 350 S HN 0.730 nan 8.310 nan 0.000 0.500 351 D N 2.669 123.094 120.400 0.041 0.000 2.304 351 D HA 0.166 5.055 4.640 0.414 0.000 0.250 351 D C 0.797 177.097 176.300 0.001 0.000 1.107 351 D CA -0.185 53.826 54.000 0.019 0.000 0.885 351 D CB 1.544 42.357 40.800 0.021 0.000 1.192 351 D HN 0.572 nan 8.370 nan 0.000 0.436 352 K N 1.222 121.617 120.400 -0.009 0.000 1.964 352 K HA -0.076 4.493 4.320 0.414 0.000 0.218 352 K C 0.163 176.759 176.600 -0.006 0.000 1.043 352 K CA 0.783 57.056 56.287 -0.023 0.000 0.966 352 K CB -0.253 32.239 32.500 -0.013 0.000 0.739 352 K HN 0.328 nan 8.250 nan 0.000 0.443 353 T N 0.829 115.385 114.554 0.004 0.000 2.666 353 T HA 0.136 4.734 4.350 0.414 0.000 0.265 353 T C 0.750 175.460 174.700 0.017 0.000 1.009 353 T CA 0.774 62.880 62.100 0.011 0.000 1.238 353 T CB -0.120 68.755 68.868 0.012 0.000 0.969 353 T HN 0.707 nan 8.240 nan 0.000 0.515 354 G N 3.110 111.922 108.800 0.020 0.000 2.234 354 G HA2 -0.295 3.913 3.960 0.414 0.000 0.235 354 G HA3 -0.295 3.913 3.960 0.414 0.000 0.235 354 G C 0.822 175.746 174.900 0.040 0.000 0.997 354 G CA 0.388 45.505 45.100 0.029 0.000 0.623 354 G HN 0.683 nan 8.290 nan 0.000 0.514 355 T N 0.094 114.674 114.554 0.044 0.000 3.238 355 T HA 0.290 4.889 4.350 0.414 0.000 0.242 355 T C 2.036 176.785 174.700 0.080 0.000 0.980 355 T CA 1.008 63.158 62.100 0.084 0.000 1.235 355 T CB -0.169 68.765 68.868 0.110 0.000 1.069 355 T HN 0.064 nan 8.240 nan 0.000 0.407 356 L N 2.166 123.390 121.223 0.002 0.000 2.141 356 L HA 0.146 4.735 4.340 0.414 0.000 0.209 356 L C 1.596 178.444 176.870 -0.037 0.000 1.094 356 L CA 1.211 55.998 54.840 -0.087 0.000 0.763 356 L CB -0.985 40.964 42.059 -0.183 0.000 0.908 356 L HN 0.500 nan 8.230 nan 0.000 0.437 357 T N -5.948 108.598 114.554 -0.013 0.000 2.927 357 T HA 0.374 4.972 4.350 0.414 0.000 0.286 357 T C 1.076 175.782 174.700 0.009 0.000 1.040 357 T CA 0.075 62.172 62.100 -0.006 0.000 1.010 357 T CB 1.422 70.285 68.868 -0.008 0.000 1.177 357 T HN 0.131 nan 8.240 nan 0.000 0.546 358 T N -1.758 112.797 114.554 0.003 0.000 3.067 358 T HA 0.149 4.747 4.350 0.414 0.000 0.257 358 T C 0.995 175.704 174.700 0.014 0.000 1.105 358 T CA 0.620 62.724 62.100 0.007 0.000 1.104 358 T CB -0.793 68.070 68.868 -0.009 0.000 0.925 358 T HN 0.960 nan 8.240 nan 0.000 0.498 359 N N 0.999 119.708 118.700 0.015 0.000 2.783 359 N HA -0.157 4.831 4.740 0.414 0.000 0.247 359 N C -0.976 174.569 175.510 0.059 0.000 1.089 359 N CA 0.161 53.233 53.050 0.037 0.000 0.690 359 N CB -0.614 37.900 38.487 0.044 0.000 0.991 359 N HN 0.480 nan 8.380 nan 0.000 0.552 360 Q N 1.212 121.013 119.800 0.002 0.000 2.842 360 Q HA 0.193 4.782 4.340 0.414 0.000 0.323 360 Q C 0.043 175.965 176.000 -0.130 0.000 1.111 360 Q CA -0.433 55.308 55.803 -0.102 0.000 1.047 360 Q CB 0.682 29.295 28.738 -0.209 0.000 1.280 360 Q HN 0.385 nan 8.270 nan 0.000 0.475 361 M N 1.394 121.051 119.600 0.094 0.000 2.219 361 M HA -0.085 4.644 4.480 0.414 0.000 0.340 361 M C -0.031 176.315 176.300 0.076 0.000 1.135 361 M CA 0.889 56.261 55.300 0.120 0.000 0.976 361 M CB 0.294 33.017 32.600 0.204 0.000 1.713 361 M HN 0.279 nan 8.290 nan 0.000 0.457 362 S N 2.900 118.620 115.700 0.035 0.000 2.584 362 S HA 0.549 5.268 4.470 0.414 0.000 0.280 362 S C -1.535 173.068 174.600 0.006 0.000 1.162 362 S CA -0.996 57.208 58.200 0.007 0.000 0.951 362 S CB 0.803 63.959 63.200 -0.074 0.000 1.108 362 S HN 0.453 nan 8.310 nan 0.000 0.464 363 V N 5.207 125.130 119.914 0.015 0.000 2.455 363 V HA 0.218 4.587 4.120 0.414 0.000 0.273 363 V C 1.428 177.509 176.094 -0.021 0.000 1.045 363 V CA -0.165 62.138 62.300 0.006 0.000 0.976 363 V CB 0.103 31.930 31.823 0.007 0.000 0.993 363 V HN 1.110 nan 8.190 nan 0.000 0.475 364 C N 2.633 121.907 119.300 -0.044 0.000 3.270 364 C HA 0.457 5.165 4.460 0.414 0.000 0.369 364 C C 0.550 175.475 174.990 -0.107 0.000 1.326 364 C CA -0.488 58.484 59.018 -0.077 0.000 1.846 364 C CB -0.367 27.311 27.740 -0.103 0.000 2.534 364 C HN 0.686 nan 8.230 nan 0.000 0.649 365 K N 1.764 122.082 120.400 -0.137 0.000 2.400 365 K HA 0.800 5.369 4.320 0.414 0.000 0.246 365 K C -0.975 175.738 176.600 0.188 0.000 0.995 365 K CA -0.280 55.887 56.287 -0.200 0.000 0.840 365 K CB 2.088 33.951 32.500 -1.061 0.000 1.293 365 K HN 0.627 nan 8.250 nan 0.000 0.445 366 M N -0.118 119.791 119.600 0.515 0.000 2.390 366 M HA 0.371 5.100 4.480 0.414 0.000 0.235 366 M C -1.509 175.139 176.300 0.579 0.000 0.977 366 M CA -0.848 54.751 55.300 0.499 0.000 0.868 366 M CB 0.626 33.310 32.600 0.140 0.000 2.263 366 M HN 0.415 nan 8.290 nan 0.000 0.456 367 F N 3.968 124.141 119.950 0.372 0.000 2.482 367 F HA 0.985 5.761 4.527 0.414 0.000 0.331 367 F C -0.871 175.056 175.800 0.212 0.000 1.115 367 F CA -1.117 57.053 58.000 0.282 0.000 0.955 367 F CB 1.093 40.186 39.000 0.155 0.000 1.136 367 F HN 0.705 nan 8.300 nan 0.000 0.452 368 I N 1.561 122.288 120.570 0.263 0.000 2.982 368 I HA 0.578 4.997 4.170 0.414 0.000 0.312 368 I C -0.590 175.697 176.117 0.282 0.000 1.041 368 I CA -1.344 60.068 61.300 0.188 0.000 1.053 368 I CB 1.718 39.795 38.000 0.129 0.000 1.248 368 I HN 0.416 nan 8.210 nan 0.000 0.471 369 I N 2.153 122.864 120.570 0.235 0.000 2.519 369 I HA 0.091 4.510 4.170 0.414 0.000 0.287 369 I C 0.855 177.077 176.117 0.175 0.000 1.047 369 I CA 0.382 61.791 61.300 0.182 0.000 1.381 369 I CB 0.826 38.898 38.000 0.121 0.000 1.417 369 I HN 0.819 nan 8.210 nan 0.000 0.540 370 D N 4.001 124.491 120.400 0.151 0.000 2.369 370 D HA 0.025 4.913 4.640 0.414 0.000 0.231 370 D C 0.130 176.499 176.300 0.115 0.000 0.967 370 D CA 0.898 54.987 54.000 0.148 0.000 0.905 370 D CB 1.047 41.923 40.800 0.127 0.000 1.044 370 D HN 0.655 nan 8.370 nan 0.000 0.487 371 K N -0.693 119.763 120.400 0.093 0.000 2.622 371 K HA 0.437 5.006 4.320 0.414 0.000 0.273 371 K C -1.756 174.890 176.600 0.077 0.000 0.957 371 K CA -0.834 55.500 56.287 0.079 0.000 0.861 371 K CB 1.524 34.065 32.500 0.067 0.000 1.405 371 K HN -0.217 nan 8.250 nan 0.000 0.406 372 V N 1.309 121.269 119.914 0.075 0.000 2.914 372 V HA 0.701 5.070 4.120 0.414 0.000 0.314 372 V C -0.863 175.285 176.094 0.090 0.000 1.084 372 V CA -0.364 61.983 62.300 0.078 0.000 0.963 372 V CB 2.007 33.866 31.823 0.059 0.000 1.025 372 V HN 1.009 nan 8.190 nan 0.000 0.432 373 D N 0.370 120.837 120.400 0.111 0.000 3.103 373 D HA 0.466 5.354 4.640 0.414 0.000 0.337 373 D C 0.486 176.834 176.300 0.080 0.000 1.356 373 D CA -0.006 54.068 54.000 0.123 0.000 0.951 373 D CB 1.088 42.010 40.800 0.204 0.000 1.438 373 D HN 0.862 nan 8.370 nan 0.000 0.562 374 G N 0.834 109.677 108.800 0.071 0.000 2.729 374 G HA2 0.119 4.327 3.960 0.414 0.000 0.275 374 G HA3 0.119 4.327 3.960 0.414 0.000 0.275 374 G C -0.199 174.569 174.900 -0.219 0.000 0.677 374 G CA 0.739 45.812 45.100 -0.045 0.000 2.102 374 G HN 0.522 nan 8.290 nan 0.000 0.567 375 D N -1.178 119.130 120.400 -0.153 0.000 2.876 375 D HA -0.175 4.713 4.640 0.414 0.000 0.196 375 D C -0.146 176.035 176.300 -0.198 0.000 1.014 375 D CA 0.870 54.744 54.000 -0.211 0.000 1.012 375 D CB -1.364 39.253 40.800 -0.305 0.000 1.080 375 D HN 0.460 nan 8.370 nan 0.000 0.438 376 F N 2.138 122.084 119.950 -0.007 0.000 2.335 376 F HA 0.360 5.136 4.527 0.414 0.000 0.365 376 F C 1.131 176.928 175.800 -0.004 0.000 1.122 376 F CA -0.913 57.084 58.000 -0.006 0.000 1.151 376 F CB 0.710 39.709 39.000 -0.002 0.000 1.282 376 F HN 0.040 nan 8.300 nan 0.000 0.513 377 C N 0.777 120.180 119.300 0.172 0.000 2.634 377 C HA 0.940 5.649 4.460 0.414 0.000 0.313 377 C C -0.118 174.914 174.990 0.070 0.000 1.198 377 C CA -1.108 57.965 59.018 0.093 0.000 1.605 377 C CB 0.833 28.597 27.740 0.040 0.000 2.196 377 C HN 0.777 nan 8.230 nan 0.000 0.486 378 S N 1.969 117.705 115.700 0.059 0.000 2.568 378 S HA 0.858 5.577 4.470 0.414 0.000 0.293 378 S C -0.726 173.910 174.600 0.059 0.000 1.089 378 S CA -0.707 57.520 58.200 0.045 0.000 0.945 378 S CB 1.035 64.262 63.200 0.046 0.000 1.077 378 S HN 0.817 nan 8.310 nan 0.000 0.485 379 L N 0.795 122.048 121.223 0.051 0.000 2.664 379 L HA 0.664 5.252 4.340 0.414 0.000 0.253 379 L C 0.168 177.120 176.870 0.137 0.000 1.293 379 L CA -1.072 53.841 54.840 0.121 0.000 1.280 379 L CB 0.581 42.679 42.059 0.064 0.000 1.993 379 L HN 0.723 nan 8.230 nan 0.000 0.577 380 N N 0.492 119.324 118.700 0.221 0.000 2.700 380 N HA 0.116 5.104 4.740 0.414 0.000 0.242 380 N C -0.984 174.643 175.510 0.195 0.000 1.541 380 N CA -0.122 53.008 53.050 0.133 0.000 0.764 380 N CB 0.863 39.470 38.487 0.200 0.000 1.319 380 N HN 0.515 nan 8.380 nan 0.000 0.518 381 E N 0.204 120.474 120.200 0.117 0.000 2.492 381 E HA 0.164 4.763 4.350 0.414 0.000 0.266 381 E C -0.834 175.757 176.600 -0.014 0.000 1.047 381 E CA 1.086 57.618 56.400 0.220 0.000 0.968 381 E CB 0.463 30.232 29.700 0.114 0.000 0.960 381 E HN 0.271 nan 8.360 nan 0.000 0.452 382 F N -0.446 119.590 119.950 0.143 0.000 2.754 382 F HA 0.534 5.309 4.527 0.414 0.000 0.320 382 F C -0.482 175.306 175.800 -0.020 0.000 1.156 382 F CA -0.602 57.411 58.000 0.023 0.000 0.950 382 F CB 2.027 41.024 39.000 -0.005 0.000 1.388 382 F HN 0.263 nan 8.300 nan 0.000 0.485 383 S N 1.803 117.630 115.700 0.211 0.000 2.537 383 S HA 0.805 5.524 4.470 0.414 0.000 0.270 383 S C -1.931 172.704 174.600 0.059 0.000 1.142 383 S CA -0.659 57.574 58.200 0.055 0.000 0.870 383 S CB 2.302 65.499 63.200 -0.005 0.000 1.112 383 S HN 0.418 nan 8.310 nan 0.000 0.466 384 I N 0.914 121.485 120.570 0.002 0.000 2.571 384 I HA 0.448 4.867 4.170 0.414 0.000 0.289 384 I C -0.063 176.036 176.117 -0.030 0.000 1.115 384 I CA -0.715 60.580 61.300 -0.009 0.000 1.045 384 I CB 0.798 38.784 38.000 -0.023 0.000 1.238 384 I HN 0.675 nan 8.210 nan 0.000 0.424 385 T N 0.630 115.167 114.554 -0.029 0.000 2.845 385 T HA 0.784 5.383 4.350 0.414 0.000 0.288 385 T C 0.431 175.104 174.700 -0.046 0.000 0.980 385 T CA -0.388 61.689 62.100 -0.038 0.000 1.071 385 T CB 1.447 70.297 68.868 -0.031 0.000 0.941 385 T HN 1.488 nan 8.240 nan 0.000 0.487 386 G N 1.128 109.896 108.800 -0.054 0.000 2.482 386 G HA2 0.207 4.415 3.960 0.414 0.000 0.201 386 G HA3 0.207 4.415 3.960 0.414 0.000 0.201 386 G C 0.283 175.133 174.900 -0.082 0.000 3.137 386 G CA 0.026 45.087 45.100 -0.065 0.000 0.798 386 G HN 0.831 nan 8.290 nan 0.000 0.493 387 S N 0.575 116.223 115.700 -0.086 0.000 2.356 387 S HA -0.034 4.685 4.470 0.414 0.000 0.223 387 S C 1.825 176.316 174.600 -0.181 0.000 1.032 387 S CA 2.368 60.501 58.200 -0.111 0.000 1.005 387 S CB -0.152 62.996 63.200 -0.087 0.000 0.867 387 S HN 1.179 nan 8.310 nan 0.000 0.449 388 T N -0.999 113.459 114.554 -0.160 0.000 2.732 388 T HA 0.219 4.817 4.350 0.414 0.000 0.287 388 T C 0.583 175.157 174.700 -0.209 0.000 0.993 388 T CA -0.141 61.831 62.100 -0.213 0.000 0.966 388 T CB 0.167 68.993 68.868 -0.070 0.000 1.047 388 T HN 0.351 nan 8.240 nan 0.000 0.527 389 Y N 0.783 121.094 120.300 0.019 0.000 2.519 389 Y HA 0.399 5.198 4.550 0.414 0.000 0.287 389 Y C 1.747 177.597 175.900 -0.083 0.000 1.128 389 Y CA 0.064 58.170 58.100 0.009 0.000 1.282 389 Y CB -0.974 37.532 38.460 0.076 0.000 1.027 389 Y HN 0.668 nan 8.280 nan 0.000 0.551 390 A N 2.469 125.267 122.820 -0.037 0.000 2.555 390 A HA 0.032 4.601 4.320 0.414 0.000 0.233 390 A C -1.130 176.207 177.584 -0.410 0.000 1.060 390 A CA -0.721 50.982 52.037 -0.557 0.000 0.759 390 A CB -0.210 18.562 19.000 -0.381 0.000 0.995 390 A HN 0.164 nan 8.150 nan 0.000 0.506 391 P HA -0.073 nan 4.420 nan 0.000 0.239 391 P C -0.188 176.999 177.300 -0.190 0.000 1.184 391 P CA 0.494 63.433 63.100 -0.269 0.000 0.760 391 P CB -0.170 31.383 31.700 -0.245 0.000 0.884 392 E N 1.042 121.121 120.200 -0.203 0.000 2.341 392 E HA 0.366 4.964 4.350 0.414 0.000 0.256 392 E C 0.906 177.455 176.600 -0.085 0.000 1.125 392 E CA 0.004 56.331 56.400 -0.122 0.000 0.939 392 E CB -0.231 29.407 29.700 -0.103 0.000 0.991 392 E HN 0.245 nan 8.360 nan 0.000 0.458 393 G N 2.873 111.634 108.800 -0.066 0.000 2.336 393 G HA2 0.211 4.420 3.960 0.414 0.000 0.300 393 G HA3 0.211 4.420 3.960 0.414 0.000 0.300 393 G C -1.529 173.350 174.900 -0.036 0.000 1.375 393 G CA -1.008 44.064 45.100 -0.048 0.000 0.885 393 G HN 0.352 nan 8.290 nan 0.000 0.599 394 E N -0.944 119.243 120.200 -0.021 0.000 2.321 394 E HA 0.524 5.123 4.350 0.414 0.000 0.278 394 E C -0.247 176.360 176.600 0.012 0.000 0.902 394 E CA -0.817 55.579 56.400 -0.006 0.000 0.758 394 E CB 2.808 32.510 29.700 0.004 0.000 1.213 394 E HN 0.509 nan 8.360 nan 0.000 0.426 395 V N 2.767 122.694 119.914 0.022 0.000 2.811 395 V HA 0.400 4.769 4.120 0.414 0.000 0.302 395 V C -0.268 175.910 176.094 0.139 0.000 1.063 395 V CA -0.183 62.159 62.300 0.069 0.000 1.088 395 V CB -0.133 31.699 31.823 0.015 0.000 0.982 395 V HN 0.550 nan 8.190 nan 0.000 0.485 396 L N 1.321 122.666 121.223 0.204 0.000 2.592 396 L HA 0.651 5.240 4.340 0.414 0.000 0.258 396 L C -0.968 175.918 176.870 0.027 0.000 0.926 396 L CA -0.893 54.024 54.840 0.127 0.000 0.885 396 L CB 1.782 43.873 42.059 0.053 0.000 1.380 396 L HN 0.561 nan 8.230 nan 0.000 0.415 397 K N 2.087 122.418 120.400 -0.114 0.000 2.182 397 K HA 0.518 5.087 4.320 0.414 0.000 0.262 397 K C -0.184 176.328 176.600 -0.147 0.000 0.957 397 K CA -0.436 55.665 56.287 -0.310 0.000 0.842 397 K CB 0.815 32.977 32.500 -0.563 0.000 1.099 397 K HN 0.826 nan 8.250 nan 0.000 0.438 398 N N 3.761 122.380 118.700 -0.134 0.000 2.727 398 N HA -0.218 4.771 4.740 0.414 0.000 0.249 398 N C -0.914 174.566 175.510 -0.050 0.000 1.048 398 N CA 1.476 54.480 53.050 -0.077 0.000 0.714 398 N CB -0.871 37.578 38.487 -0.064 0.000 0.959 398 N HN 0.976 nan 8.380 nan 0.000 0.544 399 D N -2.606 117.765 120.400 -0.048 0.000 3.006 399 D HA -0.193 4.696 4.640 0.414 0.000 0.208 399 D C -0.265 176.026 176.300 -0.016 0.000 1.116 399 D CA 1.281 55.263 54.000 -0.029 0.000 0.998 399 D CB -0.246 40.538 40.800 -0.027 0.000 1.124 399 D HN 0.383 nan 8.370 nan 0.000 0.413 400 K N 1.102 121.493 120.400 -0.015 0.000 2.293 400 K HA 0.309 4.877 4.320 0.414 0.000 0.267 400 K C -2.275 174.339 176.600 0.023 0.000 1.010 400 K CA -1.621 54.668 56.287 0.003 0.000 0.875 400 K CB 1.733 34.236 32.500 0.003 0.000 1.106 400 K HN 0.038 nan 8.250 nan 0.000 0.450 401 P HA -0.041 nan 4.420 nan 0.000 0.263 401 P C -0.051 177.306 177.300 0.095 0.000 1.175 401 P CA 0.049 63.187 63.100 0.063 0.000 0.761 401 P CB 0.423 32.150 31.700 0.046 0.000 0.794 402 I N 0.365 121.026 120.570 0.151 0.000 3.042 402 I HA 0.572 4.991 4.170 0.414 0.000 0.310 402 I C -0.669 175.579 176.117 0.219 0.000 1.117 402 I CA -1.814 59.620 61.300 0.225 0.000 1.003 402 I CB 2.110 40.330 38.000 0.367 0.000 1.228 402 I HN 0.264 nan 8.210 nan 0.000 0.443 403 R N 2.236 122.870 120.500 0.223 0.000 2.229 403 R HA 0.384 4.972 4.340 0.414 0.000 0.328 403 R C 0.554 176.986 176.300 0.220 0.000 1.009 403 R CA -0.062 56.133 56.100 0.158 0.000 0.864 403 R CB 1.314 31.674 30.300 0.099 0.000 1.085 403 R HN 0.911 nan 8.270 nan 0.000 0.453 404 S N 2.848 118.623 115.700 0.124 0.000 2.365 404 S HA -0.173 4.545 4.470 0.414 0.000 0.225 404 S C 1.821 176.483 174.600 0.104 0.000 1.039 404 S CA 1.671 59.918 58.200 0.078 0.000 1.033 404 S CB -0.219 62.933 63.200 -0.079 0.000 0.887 404 S HN 0.900 nan 8.310 nan 0.000 0.447 405 G N 0.874 109.700 108.800 0.044 0.000 2.516 405 G HA2 -0.241 3.968 3.960 0.414 0.000 0.221 405 G HA3 -0.241 3.968 3.960 0.414 0.000 0.221 405 G C 1.178 176.104 174.900 0.043 0.000 1.107 405 G CA 0.584 45.704 45.100 0.033 0.000 0.747 405 G HN 0.544 nan 8.290 nan 0.000 0.567 406 Q N -1.056 118.774 119.800 0.050 0.000 2.472 406 Q HA 0.161 4.750 4.340 0.414 0.000 0.208 406 Q C -0.472 175.309 176.000 -0.366 0.000 0.958 406 Q CA 0.139 55.854 55.803 -0.147 0.000 0.932 406 Q CB 0.185 28.789 28.738 -0.222 0.000 1.007 406 Q HN 0.520 nan 8.270 nan 0.000 0.508 407 F N -0.180 119.794 119.950 0.039 0.000 2.493 407 F HA 0.201 4.976 4.527 0.415 0.000 0.329 407 F C 0.559 176.363 175.800 0.007 0.000 1.126 407 F CA -1.053 56.977 58.000 0.051 0.000 0.937 407 F CB 1.608 40.672 39.000 0.106 0.000 1.146 407 F HN -0.180 nan 8.300 nan 0.000 0.442 408 D N 2.393 122.886 120.400 0.155 0.000 2.077 408 D HA -0.126 4.763 4.640 0.414 0.000 0.193 408 D C 2.319 178.661 176.300 0.070 0.000 0.989 408 D CA 1.692 55.745 54.000 0.088 0.000 0.831 408 D CB -0.591 40.253 40.800 0.073 0.000 0.979 408 D HN 0.803 nan 8.370 nan 0.000 0.449 409 G N 0.997 109.859 108.800 0.103 0.000 2.517 409 G HA2 -0.239 3.970 3.960 0.414 0.000 0.222 409 G HA3 -0.239 3.970 3.960 0.414 0.000 0.222 409 G C 1.675 176.563 174.900 -0.020 0.000 1.109 409 G CA 0.452 45.586 45.100 0.057 0.000 0.746 409 G HN 0.258 nan 8.290 nan 0.000 0.576 410 L N 0.411 121.623 121.223 -0.018 0.000 2.418 410 L HA 0.013 4.602 4.340 0.414 0.000 0.218 410 L C 2.708 179.470 176.870 -0.181 0.000 1.125 410 L CA 0.111 54.863 54.840 -0.148 0.000 0.835 410 L CB -0.029 41.904 42.059 -0.210 0.000 0.953 410 L HN 0.162 nan 8.230 nan 0.000 0.454 411 V N -1.091 118.737 119.914 -0.143 0.000 2.446 411 V HA -0.175 4.193 4.120 0.414 0.000 0.244 411 V C 2.268 178.224 176.094 -0.229 0.000 1.039 411 V CA 1.367 63.521 62.300 -0.245 0.000 1.045 411 V CB -0.440 31.264 31.823 -0.198 0.000 0.681 411 V HN 0.412 nan 8.190 nan 0.000 0.459 412 E N 0.492 120.597 120.200 -0.158 0.000 2.047 412 E HA -0.190 4.408 4.350 0.414 0.000 0.191 412 E C 2.284 178.726 176.600 -0.264 0.000 0.987 412 E CA 1.124 57.410 56.400 -0.190 0.000 0.799 412 E CB -0.139 29.488 29.700 -0.123 0.000 0.752 412 E HN 0.409 nan 8.360 nan 0.000 0.449 413 L N 1.124 122.213 121.223 -0.224 0.000 2.051 413 L HA -0.222 4.367 4.340 0.414 0.000 0.214 413 L C 2.254 178.969 176.870 -0.259 0.000 1.076 413 L CA 2.474 57.167 54.840 -0.245 0.000 0.758 413 L CB -1.321 40.606 42.059 -0.220 0.000 0.890 413 L HN 0.232 nan 8.230 nan 0.000 0.433 414 A N -1.189 121.477 122.820 -0.258 0.000 2.015 414 A HA -0.131 4.438 4.320 0.414 0.000 0.219 414 A C 2.130 179.558 177.584 -0.260 0.000 1.163 414 A CA 1.710 53.597 52.037 -0.251 0.000 0.646 414 A CB -0.755 18.077 19.000 -0.279 0.000 0.806 414 A HN 0.564 nan 8.150 nan 0.000 0.448 415 T N 0.875 115.239 114.554 -0.315 0.000 2.569 415 T HA -0.165 4.433 4.350 0.414 0.000 0.263 415 T C 1.803 176.226 174.700 -0.461 0.000 1.074 415 T CA 1.648 63.521 62.100 -0.379 0.000 1.176 415 T CB -0.555 67.982 68.868 -0.552 0.000 0.863 415 T HN 0.426 nan 8.240 nan 0.000 0.410 416 I N 1.118 121.311 120.570 -0.628 0.000 2.074 416 I HA -0.313 4.106 4.170 0.414 0.000 0.238 416 I C 2.872 178.852 176.117 -0.227 0.000 1.037 416 I CA 1.346 62.359 61.300 -0.477 0.000 1.301 416 I CB -0.925 36.861 38.000 -0.356 0.000 1.016 416 I HN 0.354 nan 8.210 nan 0.000 0.400 417 C N 0.696 119.875 119.300 -0.201 0.000 2.391 417 C HA -0.289 4.419 4.460 0.414 0.000 0.276 417 C C 3.075 178.007 174.990 -0.096 0.000 1.191 417 C CA 1.261 60.200 59.018 -0.131 0.000 1.808 417 C CB -1.534 26.126 27.740 -0.134 0.000 2.095 417 C HN 0.697 nan 8.230 nan 0.000 0.478 418 A N -0.893 121.861 122.820 -0.110 0.000 1.887 418 A HA 0.168 4.737 4.320 0.414 0.000 0.212 418 A C 1.993 179.566 177.584 -0.019 0.000 1.198 418 A CA 0.778 52.779 52.037 -0.060 0.000 0.628 418 A CB -0.433 18.532 19.000 -0.058 0.000 0.847 418 A HN 0.531 nan 8.150 nan 0.000 0.449 419 L N -1.119 120.097 121.223 -0.011 0.000 2.395 419 L HA -0.058 4.530 4.340 0.414 0.000 0.218 419 L C 2.153 179.095 176.870 0.119 0.000 1.130 419 L CA 0.461 55.360 54.840 0.098 0.000 0.826 419 L CB -0.045 42.173 42.059 0.265 0.000 0.941 419 L HN 0.575 nan 8.230 nan 0.000 0.451 420 C N -0.202 119.141 119.300 0.071 0.000 2.791 420 C HA 0.140 4.849 4.460 0.414 0.000 0.270 420 C C 1.188 176.198 174.990 0.035 0.000 1.257 420 C CA -0.585 58.477 59.018 0.074 0.000 1.699 420 C CB -1.370 26.412 27.740 0.069 0.000 1.904 420 C HN 0.380 nan 8.230 nan 0.000 0.603 421 N N 0.598 119.307 118.700 0.015 0.000 2.463 421 N HA 0.116 5.105 4.740 0.414 0.000 0.270 421 N C -0.766 174.752 175.510 0.013 0.000 1.205 421 N CA 0.408 53.459 53.050 0.002 0.000 0.974 421 N CB 0.982 39.459 38.487 -0.016 0.000 1.197 421 N HN 0.188 nan 8.380 nan 0.000 0.504 422 D N -0.149 120.254 120.400 0.006 0.000 2.712 422 D HA 0.287 5.175 4.640 0.414 0.000 0.300 422 D C -1.129 175.170 176.300 -0.002 0.000 1.521 422 D CA 0.046 54.053 54.000 0.012 0.000 0.790 422 D CB 0.463 41.278 40.800 0.024 0.000 1.155 422 D HN 0.230 nan 8.370 nan 0.000 0.456 423 S N -0.682 115.009 115.700 -0.016 0.000 2.638 423 S HA 0.806 5.525 4.470 0.414 0.000 0.302 423 S C -0.284 174.300 174.600 -0.026 0.000 1.096 423 S CA -0.707 57.474 58.200 -0.031 0.000 0.953 423 S CB 1.980 65.144 63.200 -0.060 0.000 1.107 423 S HN 0.144 nan 8.310 nan 0.000 0.503 424 S N 0.531 116.213 115.700 -0.029 0.000 2.671 424 S HA 0.887 5.606 4.470 0.414 0.000 0.299 424 S C -1.162 173.428 174.600 -0.016 0.000 1.116 424 S CA -0.693 57.500 58.200 -0.012 0.000 0.912 424 S CB 0.746 63.945 63.200 -0.002 0.000 1.130 424 S HN 0.343 nan 8.310 nan 0.000 0.501 425 L N 0.588 121.823 121.223 0.021 0.000 2.260 425 L HA 0.866 5.455 4.340 0.414 0.000 0.265 425 L C -0.971 175.930 176.870 0.052 0.000 1.015 425 L CA -0.054 54.822 54.840 0.060 0.000 0.826 425 L CB 1.740 43.890 42.059 0.152 0.000 1.373 425 L HN 1.037 nan 8.230 nan 0.000 0.450 426 D N -1.049 119.380 120.400 0.048 0.000 2.721 426 D HA 0.228 5.117 4.640 0.414 0.000 0.221 426 D C -1.873 174.366 176.300 -0.102 0.000 1.208 426 D CA -0.402 53.589 54.000 -0.015 0.000 0.755 426 D CB 0.829 41.618 40.800 -0.018 0.000 1.732 426 D HN 0.181 nan 8.370 nan 0.000 0.490 427 F N 3.885 123.612 119.950 -0.371 0.000 2.371 427 F HA 0.415 5.190 4.527 0.415 0.000 0.363 427 F C 0.288 175.944 175.800 -0.239 0.000 1.122 427 F CA -0.742 56.952 58.000 -0.510 0.000 1.129 427 F CB 0.361 38.998 39.000 -0.605 0.000 1.173 427 F HN 0.263 nan 8.300 nan 0.000 0.489 428 N N 4.735 123.066 118.700 -0.615 0.000 2.454 428 N HA -0.042 4.946 4.740 0.414 0.000 0.254 428 N C 0.734 175.841 175.510 -0.672 0.000 1.228 428 N CA 0.164 52.920 53.050 -0.490 0.000 0.900 428 N CB 0.874 39.161 38.487 -0.332 0.000 1.089 428 N HN 0.632 nan 8.380 nan 0.000 0.449 429 E N 2.375 122.364 120.200 -0.352 0.000 2.035 429 E HA -0.043 4.555 4.350 0.414 0.000 0.191 429 E C 1.665 178.145 176.600 -0.201 0.000 0.966 429 E CA 1.139 57.387 56.400 -0.252 0.000 0.823 429 E CB -1.272 28.355 29.700 -0.121 0.000 0.791 429 E HN 0.649 nan 8.360 nan 0.000 0.459 430 T N 2.423 116.893 114.554 -0.140 0.000 2.620 430 T HA -0.194 4.405 4.350 0.414 0.000 0.267 430 T C 1.763 176.399 174.700 -0.107 0.000 1.044 430 T CA 2.354 64.396 62.100 -0.097 0.000 1.161 430 T CB -0.181 68.643 68.868 -0.074 0.000 0.862 430 T HN 0.018 nan 8.240 nan 0.000 0.438 431 K N 0.295 120.606 120.400 -0.147 0.000 2.314 431 K HA 0.342 4.911 4.320 0.414 0.000 0.198 431 K C 1.478 177.967 176.600 -0.184 0.000 1.045 431 K CA 0.557 56.765 56.287 -0.131 0.000 0.988 431 K CB -0.291 32.142 32.500 -0.111 0.000 0.783 431 K HN 0.389 nan 8.250 nan 0.000 0.484 432 G N 1.159 109.736 108.800 -0.371 0.000 2.341 432 G HA2 -0.233 3.976 3.960 0.414 0.000 0.292 432 G HA3 -0.233 3.976 3.960 0.414 0.000 0.292 432 G C -0.122 174.529 174.900 -0.416 0.000 1.021 432 G CA 0.660 45.430 45.100 -0.550 0.000 0.905 432 G HN 0.240 nan 8.290 nan 0.000 0.508 433 V N -1.163 118.496 119.914 -0.424 0.000 3.074 433 V HA 0.771 5.140 4.120 0.414 0.000 0.314 433 V C -0.395 175.748 176.094 0.082 0.000 1.117 433 V CA -1.734 60.601 62.300 0.058 0.000 1.014 433 V CB 1.651 33.520 31.823 0.078 0.000 1.057 433 V HN 0.242 nan 8.190 nan 0.000 0.438 434 Y N 3.598 124.068 120.300 0.284 0.000 2.436 434 Y HA 0.384 5.183 4.550 0.414 0.000 0.336 434 Y C 0.841 176.852 175.900 0.186 0.000 1.049 434 Y CA 0.147 58.421 58.100 0.290 0.000 1.294 434 Y CB 0.495 39.122 38.460 0.278 0.000 1.179 434 Y HN 0.565 nan 8.280 nan 0.000 0.520 435 E N 3.517 123.819 120.200 0.171 0.000 2.227 435 E HA 0.270 4.869 4.350 0.414 0.000 0.268 435 E C -0.768 175.884 176.600 0.087 0.000 0.990 435 E CA -1.032 55.441 56.400 0.121 0.000 0.856 435 E CB 1.510 31.221 29.700 0.017 0.000 1.159 435 E HN 0.515 nan 8.360 nan 0.000 0.401 436 K N -0.857 119.551 120.400 0.014 0.000 2.185 436 K HA 0.547 5.115 4.320 0.414 0.000 0.269 436 K C -0.764 175.777 176.600 -0.098 0.000 0.987 436 K CA -0.784 55.407 56.287 -0.160 0.000 0.865 436 K CB 1.284 33.539 32.500 -0.409 0.000 1.090 436 K HN 0.057 nan 8.250 nan 0.000 0.450 437 V N 2.803 122.658 119.914 -0.099 0.000 2.326 437 V HA 0.643 5.011 4.120 0.414 0.000 0.281 437 V C 0.418 176.470 176.094 -0.069 0.000 1.015 437 V CA 0.332 62.596 62.300 -0.060 0.000 0.823 437 V CB 0.153 31.955 31.823 -0.034 0.000 1.009 437 V HN 1.154 nan 8.190 nan 0.000 0.436 438 G N 4.487 113.250 108.800 -0.060 0.000 2.362 438 G HA2 -0.007 4.201 3.960 0.414 0.000 0.517 438 G HA3 -0.007 4.201 3.960 0.414 0.000 0.517 438 G C -0.613 174.248 174.900 -0.065 0.000 1.256 438 G CA -0.654 44.414 45.100 -0.053 0.000 1.027 438 G HN 0.757 nan 8.290 nan 0.000 0.491 439 E N 0.563 120.730 120.200 -0.056 0.000 2.452 439 E HA 0.540 5.139 4.350 0.414 0.000 0.261 439 E C 1.473 178.029 176.600 -0.073 0.000 0.987 439 E CA 1.309 57.677 56.400 -0.055 0.000 0.926 439 E CB 1.016 30.684 29.700 -0.055 0.000 0.934 439 E HN 1.351 nan 8.360 nan 0.000 0.452 440 A N 3.393 126.188 122.820 -0.040 0.000 1.841 440 A HA -0.207 4.362 4.320 0.414 0.000 0.216 440 A C 2.071 179.657 177.584 0.003 0.000 1.199 440 A CA 2.216 54.250 52.037 -0.005 0.000 0.621 440 A CB -1.072 17.978 19.000 0.083 0.000 0.835 440 A HN 0.743 nan 8.150 nan 0.000 0.445 441 T N 0.026 114.581 114.554 0.002 0.000 2.896 441 T HA -0.156 4.442 4.350 0.414 0.000 0.270 441 T C 1.563 176.250 174.700 -0.022 0.000 1.104 441 T CA 1.747 63.844 62.100 -0.004 0.000 1.115 441 T CB -0.239 68.606 68.868 -0.040 0.000 0.843 441 T HN 0.640 nan 8.240 nan 0.000 0.523 442 E N 0.344 120.516 120.200 -0.047 0.000 2.065 442 E HA -0.021 4.578 4.350 0.414 0.000 0.191 442 E C 2.509 179.071 176.600 -0.064 0.000 0.960 442 E CA 0.908 57.277 56.400 -0.051 0.000 0.824 442 E CB -0.153 29.515 29.700 -0.053 0.000 0.793 442 E HN 0.338 nan 8.360 nan 0.000 0.459 443 T N 1.772 116.251 114.554 -0.124 0.000 2.714 443 T HA -0.264 4.335 4.350 0.414 0.000 0.268 443 T C 1.951 176.586 174.700 -0.108 0.000 1.036 443 T CA 1.456 63.434 62.100 -0.202 0.000 1.148 443 T CB -0.288 68.280 68.868 -0.500 0.000 0.856 443 T HN 0.224 nan 8.240 nan 0.000 0.462 444 A N 1.017 123.835 122.820 -0.003 0.000 1.873 444 A HA 0.048 4.617 4.320 0.414 0.000 0.215 444 A C 2.201 179.811 177.584 0.043 0.000 1.186 444 A CA 1.088 53.202 52.037 0.128 0.000 0.616 444 A CB -0.770 18.329 19.000 0.164 0.000 0.823 444 A HN 0.364 nan 8.150 nan 0.000 0.442 445 L N 0.060 121.285 121.223 0.004 0.000 2.127 445 L HA -0.137 4.452 4.340 0.414 0.000 0.211 445 L C 2.665 179.516 176.870 -0.032 0.000 1.089 445 L CA 2.295 57.122 54.840 -0.022 0.000 0.757 445 L CB -0.933 41.105 42.059 -0.033 0.000 0.899 445 L HN 0.418 nan 8.230 nan 0.000 0.434 446 T N -2.004 112.534 114.554 -0.027 0.000 2.698 446 T HA -0.159 4.439 4.350 0.414 0.000 0.260 446 T C 1.777 176.467 174.700 -0.016 0.000 1.044 446 T CA 1.800 63.885 62.100 -0.026 0.000 1.149 446 T CB -0.463 68.389 68.868 -0.026 0.000 0.864 446 T HN 0.293 nan 8.240 nan 0.000 0.419 447 T N 2.567 117.126 114.554 0.009 0.000 2.760 447 T HA -0.112 4.487 4.350 0.414 0.000 0.269 447 T C 1.853 176.542 174.700 -0.018 0.000 1.047 447 T CA 0.868 62.978 62.100 0.017 0.000 1.139 447 T CB -0.509 68.416 68.868 0.095 0.000 0.855 447 T HN 0.075 nan 8.240 nan 0.000 0.471 448 L N 1.758 122.966 121.223 -0.024 0.000 1.994 448 L HA -0.067 4.522 4.340 0.414 0.000 0.208 448 L C 2.686 179.508 176.870 -0.080 0.000 1.071 448 L CA 1.682 56.490 54.840 -0.054 0.000 0.745 448 L CB -0.813 41.209 42.059 -0.061 0.000 0.892 448 L HN 0.284 nan 8.230 nan 0.000 0.431 449 V N -2.692 117.174 119.914 -0.081 0.000 2.427 449 V HA -0.163 4.206 4.120 0.414 0.000 0.248 449 V C 2.298 178.348 176.094 -0.075 0.000 1.051 449 V CA 1.675 63.916 62.300 -0.097 0.000 1.048 449 V CB -0.851 30.916 31.823 -0.093 0.000 0.666 449 V HN 0.449 nan 8.190 nan 0.000 0.456 450 E N 0.606 120.776 120.200 -0.051 0.000 2.401 450 E HA -0.122 4.477 4.350 0.414 0.000 0.199 450 E C 1.934 178.499 176.600 -0.058 0.000 1.023 450 E CA 1.167 57.542 56.400 -0.042 0.000 0.859 450 E CB 0.005 29.685 29.700 -0.034 0.000 0.780 450 E HN 0.781 nan 8.360 nan 0.000 0.523 451 K N -0.925 119.435 120.400 -0.067 0.000 2.218 451 K HA 0.182 4.751 4.320 0.414 0.000 0.214 451 K C 2.257 178.815 176.600 -0.070 0.000 1.033 451 K CA 0.165 56.411 56.287 -0.067 0.000 0.949 451 K CB -0.236 32.224 32.500 -0.066 0.000 0.993 451 K HN -0.050 nan 8.250 nan 0.000 0.464 452 M N 1.398 120.941 119.600 -0.095 0.000 2.190 452 M HA -0.277 4.452 4.480 0.414 0.000 0.252 452 M C 0.538 176.777 176.300 -0.102 0.000 1.076 452 M CA 1.247 56.476 55.300 -0.119 0.000 1.079 452 M CB -0.830 31.665 32.600 -0.176 0.000 1.303 452 M HN 0.336 nan 8.290 nan 0.000 0.412 453 N N 0.641 119.277 118.700 -0.107 0.000 2.714 453 N HA -0.129 4.860 4.740 0.414 0.000 0.253 453 N C 0.323 175.765 175.510 -0.113 0.000 1.024 453 N CA 0.739 53.740 53.050 -0.082 0.000 0.726 453 N CB -0.713 37.757 38.487 -0.030 0.000 0.908 453 N HN 0.433 nan 8.380 nan 0.000 0.542 454 V N -3.031 116.727 119.914 -0.259 0.000 3.244 454 V HA -0.113 4.255 4.120 0.414 0.000 0.273 454 V C 1.247 177.144 176.094 -0.329 0.000 1.180 454 V CA 1.453 63.532 62.300 -0.368 0.000 1.182 454 V CB -0.935 30.514 31.823 -0.622 0.000 0.796 454 V HN 0.271 nan 8.190 nan 0.000 0.543 455 F N 0.262 120.206 119.950 -0.011 0.000 2.772 455 F HA 0.475 5.250 4.527 0.414 0.000 0.316 455 F C 0.891 176.688 175.800 -0.005 0.000 1.114 455 F CA -1.594 56.401 58.000 -0.008 0.000 1.191 455 F CB -0.715 38.279 39.000 -0.011 0.000 1.065 455 F HN 0.199 nan 8.300 nan 0.000 0.534 456 N N 1.639 120.431 118.700 0.153 0.000 2.669 456 N HA -0.173 4.815 4.740 0.414 0.000 0.266 456 N C -0.356 175.203 175.510 0.082 0.000 1.024 456 N CA 0.975 54.080 53.050 0.091 0.000 0.766 456 N CB -1.139 37.394 38.487 0.076 0.000 0.898 456 N HN 0.110 nan 8.380 nan 0.000 0.548 457 T N 1.378 115.981 114.554 0.081 0.000 2.744 457 T HA 0.133 4.731 4.350 0.414 0.000 0.291 457 T C 0.421 175.144 174.700 0.037 0.000 0.957 457 T CA -0.705 61.431 62.100 0.060 0.000 1.002 457 T CB 1.342 70.252 68.868 0.071 0.000 0.919 457 T HN 0.028 nan 8.240 nan 0.000 0.468 458 E N 2.734 122.950 120.200 0.027 0.000 2.585 458 E HA 0.020 4.619 4.350 0.414 0.000 0.252 458 E C 1.163 177.772 176.600 0.016 0.000 0.981 458 E CA 0.094 56.505 56.400 0.018 0.000 0.943 458 E CB 0.489 30.196 29.700 0.013 0.000 0.923 458 E HN 0.573 nan 8.360 nan 0.000 0.486 459 V N 1.158 121.079 119.914 0.011 0.000 3.562 459 V HA 0.060 4.428 4.120 0.414 0.000 0.270 459 V C 1.587 177.681 176.094 0.000 0.000 1.418 459 V CA 0.219 62.523 62.300 0.007 0.000 1.033 459 V CB -0.129 31.698 31.823 0.005 0.000 0.820 459 V HN 0.561 nan 8.190 nan 0.000 0.441 460 R N 1.129 121.628 120.500 -0.001 0.000 2.346 460 R HA 0.174 4.763 4.340 0.414 0.000 0.199 460 R C 0.963 177.261 176.300 -0.002 0.000 1.015 460 R CA 1.603 57.700 56.100 -0.004 0.000 1.058 460 R CB -0.993 29.305 30.300 -0.003 0.000 0.921 460 R HN 0.672 nan 8.270 nan 0.000 0.475 461 N N -0.039 118.661 118.700 0.000 0.000 2.250 461 N HA 0.187 5.175 4.740 0.414 0.000 0.190 461 N C -0.468 175.043 175.510 0.002 0.000 1.116 461 N CA -0.278 52.773 53.050 0.002 0.000 0.881 461 N CB 0.496 38.985 38.487 0.004 0.000 1.006 461 N HN 0.047 nan 8.380 nan 0.000 0.491 462 L N 0.886 122.109 121.223 0.001 0.000 2.331 462 L HA 0.403 4.991 4.340 0.414 0.000 0.275 462 L C 0.879 177.743 176.870 -0.010 0.000 1.022 462 L CA -0.864 53.977 54.840 0.001 0.000 0.812 462 L CB 1.541 43.605 42.059 0.007 0.000 1.257 462 L HN 0.067 nan 8.230 nan 0.000 0.435 463 S N 1.239 116.932 115.700 -0.012 0.000 2.650 463 S HA 0.019 4.738 4.470 0.414 0.000 0.251 463 S C 0.991 175.545 174.600 -0.076 0.000 1.325 463 S CA -0.085 58.096 58.200 -0.032 0.000 0.967 463 S CB 0.665 63.859 63.200 -0.011 0.000 1.000 463 S HN 0.631 nan 8.310 nan 0.000 0.584 464 K N -0.265 120.031 120.400 -0.174 0.000 2.057 464 K HA 0.076 4.645 4.320 0.414 0.000 0.206 464 K C 1.881 178.286 176.600 -0.325 0.000 1.050 464 K CA 1.515 57.553 56.287 -0.415 0.000 0.935 464 K CB -0.955 30.900 32.500 -1.075 0.000 0.715 464 K HN 0.486 nan 8.250 nan 0.000 0.439 465 V N 0.942 120.780 119.914 -0.126 0.000 2.453 465 V HA -0.162 4.207 4.120 0.414 0.000 0.247 465 V C 1.936 178.037 176.094 0.011 0.000 1.048 465 V CA 1.574 63.880 62.300 0.010 0.000 1.049 465 V CB -0.385 31.495 31.823 0.096 0.000 0.672 465 V HN 0.329 nan 8.190 nan 0.000 0.457 466 E N 1.162 121.366 120.200 0.008 0.000 2.007 466 E HA -0.233 4.366 4.350 0.414 0.000 0.194 466 E C 2.108 178.730 176.600 0.037 0.000 0.999 466 E CA 1.515 57.927 56.400 0.021 0.000 0.811 466 E CB -0.258 29.450 29.700 0.014 0.000 0.762 466 E HN 0.660 nan 8.360 nan 0.000 0.450 467 R N 1.093 121.617 120.500 0.040 0.000 2.389 467 R HA 0.135 4.723 4.340 0.414 0.000 0.210 467 R C 1.611 177.978 176.300 0.113 0.000 1.157 467 R CA 0.654 56.789 56.100 0.059 0.000 1.169 467 R CB -0.209 30.115 30.300 0.041 0.000 1.004 467 R HN 0.032 nan 8.270 nan 0.000 0.482 468 A N 1.615 124.514 122.820 0.130 0.000 2.024 468 A HA -0.152 4.417 4.320 0.414 0.000 0.220 468 A C 0.761 178.437 177.584 0.153 0.000 1.164 468 A CA 1.290 53.450 52.037 0.206 0.000 0.643 468 A CB -0.128 18.938 19.000 0.110 0.000 0.806 468 A HN 0.597 nan 8.150 nan 0.000 0.451 469 N N -2.023 116.731 118.700 0.090 0.000 2.547 469 N HA 0.342 5.330 4.740 0.414 0.000 0.285 469 N C 0.810 176.349 175.510 0.048 0.000 1.600 469 N CA 0.554 53.641 53.050 0.062 0.000 0.872 469 N CB 0.247 38.764 38.487 0.049 0.000 1.412 469 N HN 0.294 nan 8.380 nan 0.000 0.489 470 A N 0.669 123.518 122.820 0.048 0.000 1.836 470 A HA -0.205 4.363 4.320 0.414 0.000 0.215 470 A C 2.084 179.696 177.584 0.046 0.000 1.214 470 A CA 1.773 53.836 52.037 0.042 0.000 0.636 470 A CB -1.083 17.939 19.000 0.037 0.000 0.847 470 A HN 0.468 nan 8.150 nan 0.000 0.451 471 C N 0.087 119.411 119.300 0.040 0.000 2.399 471 C HA -0.076 4.633 4.460 0.414 0.000 0.296 471 C C 2.535 177.554 174.990 0.048 0.000 1.415 471 C CA 0.874 59.921 59.018 0.048 0.000 1.798 471 C CB -1.828 25.914 27.740 0.003 0.000 1.802 471 C HN 0.590 nan 8.230 nan 0.000 0.549 472 N N 1.149 119.870 118.700 0.035 0.000 2.182 472 N HA -0.085 4.904 4.740 0.414 0.000 0.186 472 N C 2.131 177.669 175.510 0.047 0.000 1.036 472 N CA 1.756 54.824 53.050 0.030 0.000 0.850 472 N CB -0.628 37.871 38.487 0.021 0.000 1.010 472 N HN 0.633 nan 8.380 nan 0.000 0.432 473 S N 1.193 116.920 115.700 0.045 0.000 2.387 473 S HA -0.118 4.600 4.470 0.414 0.000 0.230 473 S C 2.226 176.857 174.600 0.053 0.000 1.035 473 S CA 1.479 59.705 58.200 0.043 0.000 1.014 473 S CB -0.912 62.310 63.200 0.036 0.000 0.836 473 S HN 0.058 nan 8.310 nan 0.000 0.466 474 V N 2.308 122.264 119.914 0.070 0.000 2.332 474 V HA -0.121 4.248 4.120 0.414 0.000 0.248 474 V C 2.456 178.617 176.094 0.112 0.000 1.055 474 V CA 1.959 64.311 62.300 0.086 0.000 1.038 474 V CB -0.837 31.069 31.823 0.138 0.000 0.651 474 V HN 0.557 nan 8.190 nan 0.000 0.450 475 I N -0.598 120.060 120.570 0.147 0.000 2.928 475 I HA -0.087 4.332 4.170 0.414 0.000 0.266 475 I C 2.464 178.640 176.117 0.099 0.000 1.234 475 I CA 0.886 62.280 61.300 0.157 0.000 1.483 475 I CB -0.371 37.696 38.000 0.112 0.000 1.097 475 I HN 0.196 nan 8.210 nan 0.000 0.455 476 R N 0.417 120.960 120.500 0.073 0.000 2.307 476 R HA -0.057 4.532 4.340 0.414 0.000 0.199 476 R C 1.888 178.219 176.300 0.051 0.000 1.000 476 R CA 0.545 56.681 56.100 0.060 0.000 1.023 476 R CB 0.136 30.464 30.300 0.046 0.000 0.908 476 R HN 0.368 nan 8.270 nan 0.000 0.473 477 Q N -0.367 119.461 119.800 0.046 0.000 2.324 477 Q HA 0.048 4.637 4.340 0.414 0.000 0.207 477 Q C 1.907 177.923 176.000 0.027 0.000 0.928 477 Q CA 0.605 56.424 55.803 0.027 0.000 0.890 477 Q CB -0.015 28.729 28.738 0.009 0.000 1.001 477 Q HN 0.174 nan 8.270 nan 0.000 0.517 478 L N -0.090 121.156 121.223 0.039 0.000 2.079 478 L HA -0.093 4.496 4.340 0.414 0.000 0.210 478 L C 0.664 177.571 176.870 0.061 0.000 1.081 478 L CA 1.414 56.279 54.840 0.042 0.000 0.752 478 L CB -0.220 41.886 42.059 0.079 0.000 0.896 478 L HN 0.157 nan 8.230 nan 0.000 0.433 479 M N -0.695 118.954 119.600 0.081 0.000 2.327 479 M HA 0.286 5.014 4.480 0.414 0.000 0.298 479 M C -0.456 175.874 176.300 0.052 0.000 1.065 479 M CA -0.717 54.629 55.300 0.076 0.000 0.916 479 M CB 1.690 34.380 32.600 0.151 0.000 1.630 479 M HN -0.139 nan 8.290 nan 0.000 0.442 480 K N 2.574 122.990 120.400 0.027 0.000 2.262 480 K HA 0.223 4.792 4.320 0.414 0.000 0.282 480 K C -0.189 176.419 176.600 0.014 0.000 1.066 480 K CA -0.277 56.024 56.287 0.024 0.000 0.901 480 K CB 0.896 33.410 32.500 0.023 0.000 1.089 480 K HN 0.580 nan 8.250 nan 0.000 0.476 481 K N 4.859 125.269 120.400 0.017 0.000 2.315 481 K HA -0.019 4.549 4.320 0.414 0.000 0.291 481 K C 0.298 176.906 176.600 0.014 0.000 1.074 481 K CA -0.260 56.026 56.287 -0.003 0.000 0.936 481 K CB 0.623 33.130 32.500 0.012 0.000 1.049 481 K HN 0.627 nan 8.250 nan 0.000 0.471 482 E N 3.741 123.948 120.200 0.012 0.000 1.998 482 E HA -0.085 4.513 4.350 0.414 0.000 0.195 482 E C 0.728 177.415 176.600 0.145 0.000 0.994 482 E CA 1.307 57.758 56.400 0.085 0.000 0.835 482 E CB -0.240 29.538 29.700 0.131 0.000 0.786 482 E HN 0.579 nan 8.360 nan 0.000 0.467 483 F N -0.955 118.982 119.950 -0.022 0.000 2.814 483 F HA 0.681 5.457 4.527 0.414 0.000 0.353 483 F C -0.444 175.344 175.800 -0.020 0.000 1.177 483 F CA -1.048 56.929 58.000 -0.039 0.000 1.036 483 F CB 1.338 40.281 39.000 -0.096 0.000 1.455 483 F HN -0.111 nan 8.300 nan 0.000 0.520 484 T N 0.040 114.704 114.554 0.183 0.000 3.032 484 T HA 0.534 5.133 4.350 0.414 0.000 0.312 484 T C -1.459 173.284 174.700 0.071 0.000 1.078 484 T CA -0.788 61.332 62.100 0.033 0.000 1.028 484 T CB 1.102 69.995 68.868 0.041 0.000 1.091 484 T HN 0.860 nan 8.240 nan 0.000 0.457 485 L N 3.778 124.959 121.223 -0.069 0.000 2.328 485 L HA 0.371 4.960 4.340 0.414 0.000 0.280 485 L C 0.382 177.274 176.870 0.037 0.000 1.111 485 L CA -0.993 53.677 54.840 -0.284 0.000 0.909 485 L CB -0.315 41.402 42.059 -0.569 0.000 1.277 485 L HN 0.755 nan 8.230 nan 0.000 0.433 486 E N 1.493 121.805 120.200 0.187 0.000 2.565 486 E HA -0.116 4.483 4.350 0.414 0.000 0.268 486 E C -0.255 176.524 176.600 0.298 0.000 1.000 486 E CA -0.034 56.521 56.400 0.259 0.000 0.964 486 E CB 0.194 30.061 29.700 0.279 0.000 0.955 486 E HN 0.333 nan 8.360 nan 0.000 0.459 487 F N 2.025 122.062 119.950 0.145 0.000 2.595 487 F HA 0.167 4.943 4.527 0.414 0.000 0.359 487 F C 0.211 176.095 175.800 0.139 0.000 1.147 487 F CA 0.581 58.658 58.000 0.128 0.000 1.341 487 F CB 0.545 39.596 39.000 0.086 0.000 1.104 487 F HN 0.511 nan 8.300 nan 0.000 0.603 488 S N 4.861 120.048 115.700 -0.856 0.000 2.540 488 S HA 0.439 5.157 4.470 0.414 0.000 0.275 488 S C 0.132 174.224 174.600 -0.848 0.000 1.123 488 S CA -1.096 56.802 58.200 -0.503 0.000 0.907 488 S CB 1.968 65.048 63.200 -0.200 0.000 1.081 488 S HN 0.804 nan 8.310 nan 0.000 0.476 489 R N 0.815 121.145 120.500 -0.283 0.000 2.293 489 R HA -0.063 4.526 4.340 0.414 0.000 0.219 489 R C 1.229 177.451 176.300 -0.130 0.000 1.091 489 R CA 1.498 57.548 56.100 -0.082 0.000 1.004 489 R CB -0.336 30.008 30.300 0.073 0.000 0.865 489 R HN 0.822 nan 8.270 nan 0.000 0.469 490 D N 0.867 121.158 120.400 -0.182 0.000 2.083 490 D HA -0.145 4.744 4.640 0.414 0.000 0.199 490 D C 1.580 177.808 176.300 -0.120 0.000 0.980 490 D CA 1.149 55.076 54.000 -0.122 0.000 0.851 490 D CB 0.132 40.862 40.800 -0.116 0.000 0.997 490 D HN 0.049 nan 8.370 nan 0.000 0.449 491 R N 0.750 121.157 120.500 -0.155 0.000 2.335 491 R HA 0.084 4.673 4.340 0.414 0.000 0.223 491 R C -0.076 176.155 176.300 -0.116 0.000 0.940 491 R CA 0.005 56.047 56.100 -0.097 0.000 1.086 491 R CB -0.557 29.711 30.300 -0.054 0.000 1.073 491 R HN 0.156 nan 8.270 nan 0.000 0.504 492 K N 1.984 122.242 120.400 -0.236 0.000 3.415 492 K HA -0.215 4.354 4.320 0.414 0.000 0.271 492 K C -0.541 176.113 176.600 0.090 0.000 0.876 492 K CA 1.219 57.422 56.287 -0.141 0.000 0.670 492 K CB -1.313 31.260 32.500 0.122 0.000 1.510 492 K HN 0.759 nan 8.250 nan 0.000 0.455 493 S N -1.020 114.618 115.700 -0.103 0.000 2.615 493 S HA 0.750 5.469 4.470 0.414 0.000 0.269 493 S C -0.917 173.801 174.600 0.195 0.000 1.161 493 S CA -1.196 57.114 58.200 0.183 0.000 0.817 493 S CB 2.660 65.921 63.200 0.101 0.000 1.131 493 S HN 0.313 nan 8.310 nan 0.000 0.467 494 M N 1.896 121.643 119.600 0.245 0.000 2.484 494 M HA 0.687 5.415 4.480 0.414 0.000 0.289 494 M C -1.337 175.038 176.300 0.125 0.000 1.206 494 M CA -0.240 55.187 55.300 0.211 0.000 0.892 494 M CB 2.038 34.811 32.600 0.288 0.000 1.712 494 M HN 1.237 nan 8.290 nan 0.000 0.462 495 S N 2.181 117.929 115.700 0.080 0.000 2.806 495 S HA 0.930 5.648 4.470 0.414 0.000 0.306 495 S C -1.355 173.231 174.600 -0.023 0.000 1.167 495 S CA -0.759 57.459 58.200 0.030 0.000 0.847 495 S CB 2.071 65.275 63.200 0.005 0.000 1.216 495 S HN 1.002 nan 8.310 nan 0.000 0.532 496 V N 1.096 120.952 119.914 -0.097 0.000 2.809 496 V HA 0.450 4.819 4.120 0.414 0.000 0.290 496 V C -2.325 173.546 176.094 -0.372 0.000 1.305 496 V CA -0.552 61.636 62.300 -0.187 0.000 0.939 496 V CB 1.623 33.417 31.823 -0.048 0.000 1.081 496 V HN 0.979 nan 8.190 nan 0.000 0.439 497 Y N 6.939 126.781 120.300 -0.764 0.000 2.308 497 Y HA 0.769 5.568 4.550 0.414 0.000 0.329 497 Y C 0.212 175.739 175.900 -0.621 0.000 1.111 497 Y CA -0.132 57.460 58.100 -0.846 0.000 1.179 497 Y CB 1.197 38.760 38.460 -1.494 0.000 1.201 497 Y HN 1.013 nan 8.280 nan 0.000 0.483 498 C N 2.309 121.369 119.300 -0.399 0.000 3.307 498 C HA 0.831 5.540 4.460 0.414 0.000 0.333 498 C C -0.483 174.376 174.990 -0.219 0.000 1.291 498 C CA -0.777 58.134 59.018 -0.178 0.000 1.273 498 C CB 0.888 28.508 27.740 -0.200 0.000 1.580 498 C HN 0.972 nan 8.230 nan 0.000 0.481 499 S N 0.219 115.882 115.700 -0.062 0.000 2.715 499 S HA 0.979 5.698 4.470 0.414 0.000 0.307 499 S C -2.876 171.712 174.600 -0.021 0.000 1.119 499 S CA -1.057 57.115 58.200 -0.047 0.000 0.937 499 S CB 1.475 64.689 63.200 0.024 0.000 1.150 499 S HN 0.754 nan 8.310 nan 0.000 0.521 500 P HA 0.298 nan 4.420 nan 0.000 0.293 500 P C 0.106 177.411 177.300 0.009 0.000 1.285 500 P CA 0.194 63.297 63.100 0.004 0.000 0.775 500 P CB 0.154 31.855 31.700 0.002 0.000 1.351 501 A N -1.916 120.908 122.820 0.006 0.000 2.600 501 A HA 0.235 4.804 4.320 0.414 0.000 0.252 501 A C 1.074 178.659 177.584 0.001 0.000 1.200 501 A CA 0.236 52.276 52.037 0.005 0.000 0.981 501 A CB -0.235 18.767 19.000 0.003 0.000 1.207 501 A HN 0.374 nan 8.150 nan 0.000 0.577 502 K N 0.735 121.135 120.400 0.000 0.000 3.084 502 K HA 0.412 4.981 4.320 0.414 0.000 0.210 502 K C -0.858 175.743 176.600 0.001 0.000 1.137 502 K CA 0.170 56.456 56.287 -0.002 0.000 1.010 502 K CB 0.155 32.652 32.500 -0.005 0.000 0.806 502 K HN 0.155 nan 8.250 nan 0.000 0.460 503 S N -0.613 115.089 115.700 0.004 0.000 2.568 503 S HA 0.538 5.257 4.470 0.414 0.000 0.302 503 S C -0.253 174.351 174.600 0.007 0.000 1.082 503 S CA -0.783 57.421 58.200 0.005 0.000 1.009 503 S CB 1.731 64.935 63.200 0.008 0.000 1.069 503 S HN 0.451 nan 8.310 nan 0.000 0.500 504 S N 1.573 117.276 115.700 0.007 0.000 2.869 504 S HA 0.538 5.257 4.470 0.414 0.000 0.237 504 S C -0.558 174.047 174.600 0.009 0.000 1.077 504 S CA -0.933 57.271 58.200 0.007 0.000 1.140 504 S CB 0.137 63.339 63.200 0.005 0.000 1.187 504 S HN 0.486 nan 8.310 nan 0.000 0.571 505 R N 1.691 122.195 120.500 0.008 0.000 2.204 505 R HA 0.759 5.348 4.340 0.414 0.000 0.341 505 R C -0.895 175.411 176.300 0.009 0.000 1.035 505 R CA -0.069 56.036 56.100 0.009 0.000 0.887 505 R CB 0.174 30.477 30.300 0.006 0.000 1.114 505 R HN 0.808 nan 8.270 nan 0.000 0.473 506 A N 1.462 124.290 122.820 0.012 0.000 2.547 506 A HA 0.502 5.071 4.320 0.414 0.000 0.300 506 A C 0.525 178.119 177.584 0.017 0.000 1.061 506 A CA -0.085 51.959 52.037 0.012 0.000 0.808 506 A CB 0.939 19.944 19.000 0.009 0.000 1.304 506 A HN 0.596 nan 8.150 nan 0.000 0.393 507 A N 1.871 124.702 122.820 0.017 0.000 1.891 507 A HA 0.014 4.582 4.320 0.414 0.000 0.221 507 A C 1.294 178.892 177.584 0.024 0.000 1.394 507 A CA 2.334 54.385 52.037 0.023 0.000 0.730 507 A CB -1.657 17.354 19.000 0.019 0.000 0.845 507 A HN 1.833 nan 8.150 nan 0.000 0.471 508 V N -0.962 118.961 119.914 0.015 0.000 3.032 508 V HA 0.418 4.787 4.120 0.414 0.000 0.307 508 V C 1.342 177.436 176.094 0.001 0.000 1.097 508 V CA 0.834 63.138 62.300 0.006 0.000 1.191 508 V CB -0.049 31.776 31.823 0.002 0.000 0.964 508 V HN 1.837 nan 8.190 nan 0.000 0.494 509 G N 2.807 111.599 108.800 -0.015 0.000 2.309 509 G HA2 -0.181 4.028 3.960 0.414 0.000 0.183 509 G HA3 -0.181 4.028 3.960 0.414 0.000 0.183 509 G C -0.432 174.433 174.900 -0.059 0.000 1.063 509 G CA -0.081 45.002 45.100 -0.029 0.000 0.768 509 G HN 0.797 nan 8.290 nan 0.000 0.490 510 N N 0.063 118.702 118.700 -0.102 0.000 2.284 510 N HA 0.624 5.613 4.740 0.414 0.000 0.300 510 N C -0.582 174.688 175.510 -0.400 0.000 1.047 510 N CA -0.904 52.006 53.050 -0.234 0.000 0.821 510 N CB 1.195 39.598 38.487 -0.141 0.000 1.337 510 N HN -0.051 nan 8.380 nan 0.000 0.482 511 K N 1.897 121.934 120.400 -0.605 0.000 2.318 511 K HA 0.466 5.034 4.320 0.414 0.000 0.249 511 K C -1.066 174.945 176.600 -0.983 0.000 0.942 511 K CA -0.406 55.480 56.287 -0.667 0.000 0.808 511 K CB 2.311 34.438 32.500 -0.622 0.000 1.189 511 K HN 0.537 nan 8.250 nan 0.000 0.428 512 M N 2.799 121.978 119.600 -0.703 0.000 2.093 512 M HA 0.347 5.076 4.480 0.414 0.000 0.297 512 M C -1.385 174.759 176.300 -0.261 0.000 0.938 512 M CA -0.735 54.239 55.300 -0.544 0.000 0.920 512 M CB 0.698 33.114 32.600 -0.307 0.000 1.517 512 M HN 0.310 nan 8.290 nan 0.000 0.427 513 F N 4.420 124.281 119.950 -0.147 0.000 2.334 513 F HA 0.358 5.134 4.527 0.414 0.000 0.365 513 F C -0.002 175.752 175.800 -0.077 0.000 1.124 513 F CA -0.977 56.959 58.000 -0.105 0.000 1.166 513 F CB 0.082 39.022 39.000 -0.101 0.000 1.355 513 F HN 0.105 nan 8.300 nan 0.000 0.532 514 V N 3.849 123.835 119.914 0.120 0.000 2.498 514 V HA 0.289 4.658 4.120 0.414 0.000 0.279 514 V C 0.112 176.228 176.094 0.037 0.000 1.048 514 V CA -0.863 61.477 62.300 0.067 0.000 0.967 514 V CB 1.383 33.236 31.823 0.049 0.000 0.988 514 V HN 0.628 nan 8.190 nan 0.000 0.473 515 K N 3.432 123.867 120.400 0.059 0.000 2.604 515 K HA 0.670 5.239 4.320 0.414 0.000 0.247 515 K C -0.255 176.405 176.600 0.101 0.000 0.956 515 K CA -0.197 56.115 56.287 0.042 0.000 0.896 515 K CB 1.360 33.880 32.500 0.035 0.000 1.131 515 K HN 0.921 nan 8.250 nan 0.000 0.440 516 G N 1.505 110.355 108.800 0.085 0.000 2.782 516 G HA2 0.618 4.827 3.960 0.414 0.000 0.304 516 G HA3 0.618 4.827 3.960 0.414 0.000 0.304 516 G C -1.443 173.528 174.900 0.117 0.000 1.315 516 G CA -0.745 44.447 45.100 0.153 0.000 0.791 516 G HN 0.591 nan 8.290 nan 0.000 0.519 517 A N 0.403 123.316 122.820 0.155 0.000 2.450 517 A HA 0.592 5.161 4.320 0.414 0.000 0.255 517 A C -0.944 176.698 177.584 0.098 0.000 1.096 517 A CA -0.611 51.500 52.037 0.123 0.000 0.778 517 A CB 0.353 19.438 19.000 0.143 0.000 1.031 517 A HN 0.310 nan 8.150 nan 0.000 0.494 518 P HA -0.317 nan 4.420 nan 0.000 0.218 518 P C 1.402 178.756 177.300 0.090 0.000 1.165 518 P CA 2.125 65.284 63.100 0.097 0.000 0.922 518 P CB 0.043 31.803 31.700 0.100 0.000 0.794 519 E N -0.497 119.749 120.200 0.078 0.000 2.054 519 E HA -0.256 4.343 4.350 0.414 0.000 0.225 519 E C 2.235 178.870 176.600 0.059 0.000 1.048 519 E CA 2.281 58.719 56.400 0.063 0.000 0.899 519 E CB -2.019 27.716 29.700 0.059 0.000 0.801 519 E HN 0.265 nan 8.360 nan 0.000 0.495 520 G N 1.735 110.571 108.800 0.060 0.000 2.639 520 G HA2 -0.267 3.941 3.960 0.414 0.000 0.216 520 G HA3 -0.267 3.941 3.960 0.414 0.000 0.216 520 G C 1.939 176.871 174.900 0.054 0.000 1.267 520 G CA 2.425 47.555 45.100 0.050 0.000 0.801 520 G HN 0.222 nan 8.290 nan 0.000 0.592 521 V N 1.457 121.410 119.914 0.065 0.000 2.225 521 V HA -0.331 4.038 4.120 0.414 0.000 0.252 521 V C 2.781 178.921 176.094 0.077 0.000 1.055 521 V CA 2.266 64.604 62.300 0.063 0.000 1.032 521 V CB -0.815 31.041 31.823 0.054 0.000 0.655 521 V HN 0.442 nan 8.190 nan 0.000 0.458 522 I N -0.027 120.609 120.570 0.109 0.000 2.181 522 I HA -0.331 4.088 4.170 0.414 0.000 0.247 522 I C 2.294 178.458 176.117 0.079 0.000 1.081 522 I CA 2.068 63.453 61.300 0.142 0.000 1.340 522 I CB -0.528 37.563 38.000 0.152 0.000 1.036 522 I HN 0.463 nan 8.210 nan 0.000 0.417 523 D N 0.588 121.021 120.400 0.054 0.000 2.403 523 D HA -0.112 4.776 4.640 0.414 0.000 0.227 523 D C 1.552 177.863 176.300 0.018 0.000 0.995 523 D CA 0.797 54.814 54.000 0.029 0.000 0.928 523 D CB 0.132 40.947 40.800 0.025 0.000 0.887 523 D HN 0.432 nan 8.370 nan 0.000 0.529 524 R N -0.972 119.544 120.500 0.027 0.000 2.508 524 R HA 0.187 4.776 4.340 0.414 0.000 0.300 524 R C 0.001 176.305 176.300 0.006 0.000 0.970 524 R CA -0.207 55.902 56.100 0.015 0.000 1.102 524 R CB 0.745 31.062 30.300 0.028 0.000 1.246 524 R HN 0.027 nan 8.270 nan 0.000 0.539 525 C N 1.276 120.585 119.300 0.016 0.000 2.330 525 C HA 0.345 5.054 4.460 0.414 0.000 0.344 525 C C 1.191 176.122 174.990 -0.098 0.000 1.273 525 C CA -0.772 58.251 59.018 0.008 0.000 1.879 525 C CB 0.898 28.704 27.740 0.111 0.000 2.376 525 C HN 0.426 nan 8.230 nan 0.000 0.534 526 N N 0.189 118.722 118.700 -0.278 0.000 2.220 526 N HA 0.151 5.140 4.740 0.414 0.000 0.195 526 N C -0.899 174.170 175.510 -0.735 0.000 1.123 526 N CA 0.459 53.165 53.050 -0.574 0.000 0.874 526 N CB 0.400 38.355 38.487 -0.887 0.000 0.995 526 N HN 0.703 nan 8.380 nan 0.000 0.498 527 Y N -0.767 119.573 120.300 0.066 0.000 2.553 527 Y HA 0.529 5.327 4.550 0.414 0.000 0.347 527 Y C -0.118 175.842 175.900 0.099 0.000 1.019 527 Y CA -1.069 57.072 58.100 0.067 0.000 1.032 527 Y CB 1.401 39.897 38.460 0.059 0.000 1.284 527 Y HN -0.419 nan 8.280 nan 0.000 0.466 528 V N 2.470 122.540 119.914 0.260 0.000 2.513 528 V HA 0.542 4.910 4.120 0.414 0.000 0.299 528 V C -0.412 175.797 176.094 0.192 0.000 1.035 528 V CA -1.073 61.352 62.300 0.209 0.000 0.889 528 V CB 1.822 33.709 31.823 0.108 0.000 0.988 528 V HN 0.706 nan 8.190 nan 0.000 0.440 529 R N 3.244 123.868 120.500 0.208 0.000 2.312 529 R HA 0.626 5.215 4.340 0.414 0.000 0.311 529 R C -1.317 175.067 176.300 0.139 0.000 1.004 529 R CA -0.344 55.844 56.100 0.147 0.000 0.902 529 R CB 1.540 31.912 30.300 0.121 0.000 1.073 529 R HN 0.504 nan 8.270 nan 0.000 0.457 530 V N 6.621 126.600 119.914 0.107 0.000 2.220 530 V HA 0.354 4.723 4.120 0.414 0.000 0.265 530 V C 1.054 177.205 176.094 0.095 0.000 1.078 530 V CA 0.566 62.929 62.300 0.105 0.000 0.872 530 V CB 0.019 31.895 31.823 0.088 0.000 1.121 530 V HN 1.184 nan 8.190 nan 0.000 0.460 531 G N 4.813 113.677 108.800 0.105 0.000 2.687 531 G HA2 -0.362 3.846 3.960 0.414 0.000 0.303 531 G HA3 -0.362 3.846 3.960 0.414 0.000 0.303 531 G C 0.938 175.878 174.900 0.066 0.000 1.209 531 G CA 0.812 45.968 45.100 0.093 0.000 0.968 531 G HN 0.518 nan 8.290 nan 0.000 0.549 532 T N 1.304 115.890 114.554 0.054 0.000 3.033 532 T HA 0.291 4.889 4.350 0.414 0.000 0.248 532 T C 1.414 176.136 174.700 0.036 0.000 1.040 532 T CA 1.584 63.709 62.100 0.041 0.000 1.133 532 T CB -0.134 68.754 68.868 0.034 0.000 0.895 532 T HN 0.726 nan 8.240 nan 0.000 0.465 533 T N 2.773 117.350 114.554 0.038 0.000 2.856 533 T HA 0.335 4.934 4.350 0.414 0.000 0.306 533 T C 0.081 174.804 174.700 0.038 0.000 1.062 533 T CA -0.194 61.924 62.100 0.030 0.000 1.083 533 T CB 0.731 69.618 68.868 0.033 0.000 0.984 533 T HN 0.081 nan 8.240 nan 0.000 0.542 534 R N 0.904 121.417 120.500 0.021 0.000 2.673 534 R HA 0.646 5.235 4.340 0.414 0.000 0.281 534 R C -1.447 174.861 176.300 0.014 0.000 0.991 534 R CA -0.638 55.478 56.100 0.027 0.000 0.896 534 R CB 1.676 31.971 30.300 -0.008 0.000 1.201 534 R HN 0.579 nan 8.270 nan 0.000 0.457 535 V N 0.529 120.483 119.914 0.066 0.000 3.160 535 V HA 0.724 5.093 4.120 0.414 0.000 0.310 535 V C -2.533 173.676 176.094 0.191 0.000 1.181 535 V CA -2.085 60.264 62.300 0.080 0.000 1.047 535 V CB 2.132 34.000 31.823 0.075 0.000 1.068 535 V HN 0.682 nan 8.190 nan 0.000 0.441 536 P HA 0.179 nan 4.420 nan 0.000 0.293 536 P C -0.705 176.700 177.300 0.174 0.000 1.285 536 P CA 0.051 63.348 63.100 0.328 0.000 0.775 536 P CB 0.402 32.228 31.700 0.209 0.000 1.351 537 M N -0.576 119.069 119.600 0.074 0.000 2.327 537 M HA 0.446 5.175 4.480 0.414 0.000 0.298 537 M C -1.436 174.863 176.300 -0.002 0.000 1.065 537 M CA 0.165 55.475 55.300 0.016 0.000 0.916 537 M CB 1.562 34.144 32.600 -0.029 0.000 1.630 537 M HN 0.284 nan 8.290 nan 0.000 0.442 538 T N 1.910 116.458 114.554 -0.010 0.000 2.887 538 T HA 0.594 5.192 4.350 0.414 0.000 0.292 538 T C 0.916 175.597 174.700 -0.031 0.000 1.087 538 T CA -0.505 61.584 62.100 -0.018 0.000 1.009 538 T CB 1.339 70.198 68.868 -0.014 0.000 1.203 538 T HN 0.790 nan 8.240 nan 0.000 0.518 539 G N 1.101 109.881 108.800 -0.033 0.000 2.529 539 G HA2 -0.136 4.073 3.960 0.414 0.000 0.219 539 G HA3 -0.136 4.073 3.960 0.414 0.000 0.219 539 G C -1.129 173.744 174.900 -0.046 0.000 1.177 539 G CA 1.095 46.172 45.100 -0.038 0.000 0.773 539 G HN 0.560 nan 8.290 nan 0.000 0.573 540 P HA -0.119 nan 4.420 nan 0.000 0.202 540 P C 2.217 179.485 177.300 -0.054 0.000 1.121 540 P CA 1.769 64.837 63.100 -0.053 0.000 0.939 540 P CB -0.513 31.155 31.700 -0.054 0.000 0.761 541 V N 0.278 120.163 119.914 -0.048 0.000 2.363 541 V HA -0.332 4.037 4.120 0.414 0.000 0.254 541 V C 2.494 178.527 176.094 -0.102 0.000 1.074 541 V CA 2.212 64.473 62.300 -0.065 0.000 1.069 541 V CB -1.221 30.568 31.823 -0.057 0.000 0.659 541 V HN 0.239 nan 8.190 nan 0.000 0.455 542 K N -0.033 120.314 120.400 -0.088 0.000 1.991 542 K HA -0.236 4.333 4.320 0.414 0.000 0.212 542 K C 2.238 178.789 176.600 -0.082 0.000 1.049 542 K CA 1.895 58.127 56.287 -0.091 0.000 0.932 542 K CB -0.184 32.280 32.500 -0.059 0.000 0.717 542 K HN 0.445 nan 8.250 nan 0.000 0.441 543 E N 1.038 121.197 120.200 -0.067 0.000 2.085 543 E HA -0.189 4.409 4.350 0.414 0.000 0.194 543 E C 1.899 178.446 176.600 -0.088 0.000 0.994 543 E CA 0.846 57.206 56.400 -0.065 0.000 0.801 543 E CB -0.212 29.455 29.700 -0.055 0.000 0.743 543 E HN 0.185 nan 8.360 nan 0.000 0.453 544 K N 0.833 121.175 120.400 -0.096 0.000 2.360 544 K HA -0.053 4.516 4.320 0.414 0.000 0.201 544 K C 1.961 178.449 176.600 -0.188 0.000 1.046 544 K CA 0.527 56.738 56.287 -0.125 0.000 0.940 544 K CB -0.182 32.259 32.500 -0.098 0.000 0.748 544 K HN 0.228 nan 8.250 nan 0.000 0.465 545 I N -0.397 120.089 120.570 -0.139 0.000 2.499 545 I HA -0.178 4.240 4.170 0.414 0.000 0.243 545 I C 2.088 178.165 176.117 -0.066 0.000 1.085 545 I CA 0.239 61.497 61.300 -0.070 0.000 1.422 545 I CB -0.265 37.690 38.000 -0.076 0.000 1.165 545 I HN -0.052 nan 8.210 nan 0.000 0.440 546 L N 0.945 122.138 121.223 -0.050 0.000 1.963 546 L HA -0.308 4.281 4.340 0.414 0.000 0.220 546 L C 2.889 179.712 176.870 -0.079 0.000 1.076 546 L CA 2.151 56.970 54.840 -0.034 0.000 0.772 546 L CB -1.224 40.820 42.059 -0.025 0.000 0.892 546 L HN 0.420 nan 8.230 nan 0.000 0.435 547 S N 0.166 115.807 115.700 -0.098 0.000 2.401 547 S HA -0.279 4.440 4.470 0.414 0.000 0.236 547 S C 1.894 176.402 174.600 -0.154 0.000 1.058 547 S CA 2.169 60.306 58.200 -0.105 0.000 1.151 547 S CB -1.396 61.739 63.200 -0.108 0.000 1.049 547 S HN 0.195 nan 8.310 nan 0.000 0.432 548 V N 1.908 121.648 119.914 -0.289 0.000 2.380 548 V HA -0.191 4.178 4.120 0.414 0.000 0.251 548 V C 2.547 178.359 176.094 -0.470 0.000 1.063 548 V CA 2.048 64.061 62.300 -0.480 0.000 1.055 548 V CB -1.069 30.189 31.823 -0.941 0.000 0.657 548 V HN 0.430 nan 8.190 nan 0.000 0.455 549 I N -0.101 120.298 120.570 -0.285 0.000 2.208 549 I HA -0.260 4.159 4.170 0.414 0.000 0.245 549 I C 2.494 178.613 176.117 0.003 0.000 1.097 549 I CA 1.859 63.094 61.300 -0.107 0.000 1.363 549 I CB -0.510 37.495 38.000 0.008 0.000 1.051 549 I HN 0.268 nan 8.210 nan 0.000 0.413 550 K N 0.330 120.723 120.400 -0.012 0.000 2.002 550 K HA -0.270 4.299 4.320 0.414 0.000 0.209 550 K C 2.154 178.800 176.600 0.076 0.000 1.048 550 K CA 1.856 58.161 56.287 0.031 0.000 0.930 550 K CB -0.235 32.268 32.500 0.004 0.000 0.714 550 K HN 0.356 nan 8.250 nan 0.000 0.438 551 E N -0.161 120.078 120.200 0.066 0.000 2.045 551 E HA -0.246 4.352 4.350 0.414 0.000 0.212 551 E C 1.662 178.437 176.600 0.292 0.000 1.039 551 E CA 2.129 58.624 56.400 0.158 0.000 0.860 551 E CB -0.263 29.551 29.700 0.190 0.000 0.776 551 E HN 0.441 nan 8.360 nan 0.000 0.467 552 W N -0.084 121.222 121.300 0.010 0.000 2.387 552 W HA -0.002 4.907 4.660 0.414 0.000 0.272 552 W C 2.215 178.755 176.519 0.034 0.000 1.224 552 W CA 1.053 58.417 57.345 0.031 0.000 1.210 552 W CB -1.102 28.397 29.460 0.065 0.000 1.125 552 W HN 0.301 nan 8.180 nan 0.000 0.572 553 G N -1.028 107.926 108.800 0.257 0.000 2.437 553 G HA2 -0.094 4.114 3.960 0.414 0.000 0.212 553 G HA3 -0.094 4.114 3.960 0.414 0.000 0.212 553 G C 1.316 176.280 174.900 0.107 0.000 1.174 553 G CA 1.409 46.606 45.100 0.161 0.000 0.811 553 G HN 0.252 nan 8.290 nan 0.000 0.537 554 T N 0.354 114.962 114.554 0.090 0.000 3.014 554 T HA 0.328 4.927 4.350 0.414 0.000 0.250 554 T C 1.541 176.272 174.700 0.050 0.000 1.060 554 T CA 0.192 62.325 62.100 0.056 0.000 1.040 554 T CB 0.424 69.313 68.868 0.035 0.000 0.971 554 T HN 0.365 nan 8.240 nan 0.000 0.497 555 G N 1.647 110.491 108.800 0.072 0.000 2.771 555 G HA2 0.162 4.370 3.960 0.414 0.000 0.242 555 G HA3 0.162 4.370 3.960 0.414 0.000 0.242 555 G C 0.960 175.878 174.900 0.030 0.000 1.233 555 G CA -0.379 44.753 45.100 0.054 0.000 0.858 555 G HN 0.217 nan 8.290 nan 0.000 0.591 556 R N 0.235 120.742 120.500 0.012 0.000 2.117 556 R HA -0.152 4.436 4.340 0.414 0.000 0.243 556 R C 1.360 177.654 176.300 -0.010 0.000 1.143 556 R CA 2.012 58.112 56.100 -0.000 0.000 0.968 556 R CB -0.329 29.966 30.300 -0.008 0.000 0.863 556 R HN 0.641 nan 8.270 nan 0.000 0.444 557 D N 0.446 120.831 120.400 -0.025 0.000 2.688 557 D HA -0.008 4.880 4.640 0.414 0.000 0.228 557 D C -0.761 175.522 176.300 -0.029 0.000 1.116 557 D CA -0.047 53.923 54.000 -0.050 0.000 1.023 557 D CB -0.301 40.435 40.800 -0.106 0.000 1.100 557 D HN -0.047 nan 8.370 nan 0.000 0.487 558 T N 2.173 116.727 114.554 -0.001 0.000 2.656 558 T HA 0.064 4.662 4.350 0.414 0.000 0.263 558 T C 0.325 175.042 174.700 0.029 0.000 1.017 558 T CA 0.453 62.568 62.100 0.024 0.000 1.216 558 T CB -0.217 68.664 68.868 0.022 0.000 0.989 558 T HN 0.305 nan 8.240 nan 0.000 0.507 559 L N 2.880 124.144 121.223 0.070 0.000 2.350 559 L HA 0.619 5.208 4.340 0.414 0.000 0.260 559 L C 0.268 177.214 176.870 0.126 0.000 1.015 559 L CA -1.255 53.637 54.840 0.086 0.000 0.821 559 L CB 2.135 44.251 42.059 0.095 0.000 1.370 559 L HN 0.326 nan 8.230 nan 0.000 0.416 560 R N 0.646 121.212 120.500 0.110 0.000 2.221 560 R HA 0.505 5.094 4.340 0.414 0.000 0.327 560 R C -1.391 174.998 176.300 0.148 0.000 1.033 560 R CA -0.363 55.802 56.100 0.108 0.000 0.887 560 R CB 0.818 31.160 30.300 0.069 0.000 1.057 560 R HN 0.677 nan 8.270 nan 0.000 0.455 561 C N 5.548 124.942 119.300 0.157 0.000 2.330 561 C HA 0.449 5.158 4.460 0.414 0.000 0.344 561 C C -0.663 174.393 174.990 0.110 0.000 1.273 561 C CA -0.779 58.343 59.018 0.173 0.000 1.879 561 C CB 0.506 28.355 27.740 0.183 0.000 2.376 561 C HN 0.642 nan 8.230 nan 0.000 0.534 562 L N 3.859 125.134 121.223 0.087 0.000 2.343 562 L HA 0.693 5.281 4.340 0.414 0.000 0.278 562 L C 0.245 177.112 176.870 -0.004 0.000 0.996 562 L CA -0.095 54.770 54.840 0.042 0.000 0.831 562 L CB 1.082 43.155 42.059 0.023 0.000 1.232 562 L HN 0.817 nan 8.230 nan 0.000 0.413 563 A N 6.026 128.842 122.820 -0.007 0.000 2.354 563 A HA 0.690 5.259 4.320 0.414 0.000 0.269 563 A C -0.868 176.610 177.584 -0.177 0.000 1.109 563 A CA -0.334 51.651 52.037 -0.087 0.000 0.800 563 A CB 0.219 19.218 19.000 -0.002 0.000 1.045 563 A HN 0.696 nan 8.150 nan 0.000 0.489 564 L N 1.781 122.775 121.223 -0.381 0.000 2.349 564 L HA 0.703 5.292 4.340 0.414 0.000 0.278 564 L C 0.239 176.821 176.870 -0.481 0.000 0.996 564 L CA -0.317 54.309 54.840 -0.356 0.000 0.825 564 L CB 1.537 43.393 42.059 -0.338 0.000 1.243 564 L HN 0.868 nan 8.230 nan 0.000 0.412 565 A N 2.069 124.739 122.820 -0.250 0.000 2.530 565 A HA 0.994 5.563 4.320 0.414 0.000 0.288 565 A C -0.606 176.959 177.584 -0.031 0.000 1.172 565 A CA -0.523 51.415 52.037 -0.164 0.000 0.733 565 A CB 2.252 21.210 19.000 -0.071 0.000 1.320 565 A HN 0.623 nan 8.150 nan 0.000 0.419 566 T N -1.370 113.207 114.554 0.038 0.000 2.993 566 T HA 0.611 5.210 4.350 0.414 0.000 0.312 566 T C -0.839 173.914 174.700 0.089 0.000 1.115 566 T CA -0.619 61.557 62.100 0.126 0.000 1.027 566 T CB 1.401 70.398 68.868 0.214 0.000 1.116 566 T HN 0.708 nan 8.240 nan 0.000 0.464 567 R N 1.779 122.305 120.500 0.043 0.000 2.196 567 R HA 0.265 4.853 4.340 0.414 0.000 0.340 567 R C 0.019 176.309 176.300 -0.016 0.000 1.043 567 R CA -0.460 55.654 56.100 0.024 0.000 0.883 567 R CB 0.458 30.756 30.300 -0.004 0.000 1.078 567 R HN 0.670 nan 8.270 nan 0.000 0.462 568 D N 1.440 121.858 120.400 0.029 0.000 2.091 568 D HA -0.061 4.828 4.640 0.414 0.000 0.199 568 D C 0.087 176.371 176.300 -0.026 0.000 0.980 568 D CA 1.551 55.553 54.000 0.003 0.000 0.831 568 D CB 0.377 41.190 40.800 0.022 0.000 0.987 568 D HN 0.413 nan 8.370 nan 0.000 0.460 569 T N 3.791 118.348 114.554 0.006 0.000 3.336 569 T HA 0.270 4.868 4.350 0.414 0.000 0.384 569 T C -2.237 172.474 174.700 0.018 0.000 1.704 569 T CA -1.238 60.866 62.100 0.006 0.000 1.334 569 T CB 1.689 70.573 68.868 0.027 0.000 1.131 569 T HN 0.069 nan 8.240 nan 0.000 0.684 570 P HA 0.334 nan 4.420 nan 0.000 0.275 570 P C -2.562 174.782 177.300 0.073 0.000 1.266 570 P CA -1.330 61.778 63.100 0.014 0.000 0.793 570 P CB -0.053 31.591 31.700 -0.093 0.000 1.074 571 P HA 0.154 nan 4.420 nan 0.000 0.274 571 P C -0.287 177.081 177.300 0.112 0.000 1.231 571 P CA -0.248 62.916 63.100 0.106 0.000 0.790 571 P CB 0.607 32.376 31.700 0.116 0.000 0.951 572 K N 1.601 122.047 120.400 0.077 0.000 2.504 572 K HA -0.132 4.437 4.320 0.414 0.000 0.278 572 K C 1.607 178.227 176.600 0.033 0.000 1.025 572 K CA 0.172 56.496 56.287 0.062 0.000 1.093 572 K CB 0.227 32.749 32.500 0.036 0.000 0.873 572 K HN 0.348 nan 8.250 nan 0.000 0.483 573 R N 3.464 123.990 120.500 0.043 0.000 2.159 573 R HA -0.232 4.356 4.340 0.414 0.000 0.249 573 R C 0.527 176.742 176.300 -0.142 0.000 1.136 573 R CA 2.389 58.428 56.100 -0.102 0.000 0.951 573 R CB -0.304 29.946 30.300 -0.083 0.000 0.876 573 R HN 0.676 nan 8.270 nan 0.000 0.440 574 E N 0.514 120.666 120.200 -0.081 0.000 2.379 574 E HA 0.047 4.645 4.350 0.414 0.000 0.209 574 E C -0.076 176.487 176.600 -0.063 0.000 1.284 574 E CA 0.275 56.626 56.400 -0.082 0.000 1.333 574 E CB 0.089 29.759 29.700 -0.050 0.000 1.307 574 E HN 0.356 nan 8.360 nan 0.000 0.441 575 E N -0.063 120.091 120.200 -0.076 0.000 2.743 575 E HA 0.221 4.820 4.350 0.414 0.000 0.222 575 E C -0.257 176.308 176.600 -0.059 0.000 0.959 575 E CA -0.062 56.317 56.400 -0.035 0.000 1.198 575 E CB 0.378 30.083 29.700 0.009 0.000 1.100 575 E HN 0.365 nan 8.360 nan 0.000 0.518 576 M N 1.384 120.872 119.600 -0.186 0.000 2.268 576 M HA 0.292 5.020 4.480 0.414 0.000 0.344 576 M C -0.102 176.089 176.300 -0.181 0.000 1.106 576 M CA -0.708 54.394 55.300 -0.331 0.000 1.010 576 M CB 2.375 34.588 32.600 -0.644 0.000 1.649 576 M HN -0.330 nan 8.290 nan 0.000 0.443 577 V N 5.663 125.625 119.914 0.080 0.000 2.299 577 V HA 0.110 4.478 4.120 0.414 0.000 0.255 577 V C 0.889 177.094 176.094 0.185 0.000 1.100 577 V CA -0.202 62.163 62.300 0.108 0.000 0.938 577 V CB -0.453 31.466 31.823 0.161 0.000 1.139 577 V HN 0.798 nan 8.190 nan 0.000 0.490 578 L N 2.051 123.268 121.223 -0.010 0.000 2.798 578 L HA 0.167 4.755 4.340 0.414 0.000 0.254 578 L C 0.622 177.627 176.870 0.225 0.000 1.176 578 L CA 0.459 55.321 54.840 0.037 0.000 0.991 578 L CB -0.543 41.313 42.059 -0.339 0.000 1.225 578 L HN 0.571 nan 8.230 nan 0.000 0.420 579 D N -0.895 119.614 120.400 0.181 0.000 2.525 579 D HA 0.069 4.957 4.640 0.414 0.000 0.231 579 D C -0.105 176.090 176.300 -0.176 0.000 1.216 579 D CA 0.145 54.188 54.000 0.071 0.000 0.813 579 D CB 0.971 41.814 40.800 0.073 0.000 1.108 579 D HN 0.275 nan 8.370 nan 0.000 0.524 580 D N 1.256 121.543 120.400 -0.189 0.000 2.485 580 D HA 0.032 4.921 4.640 0.414 0.000 0.256 580 D C 1.518 177.324 176.300 -0.824 0.000 1.141 580 D CA -0.039 53.737 54.000 -0.374 0.000 0.942 580 D CB 1.294 41.990 40.800 -0.174 0.000 1.003 580 D HN -0.117 nan 8.370 nan 0.000 0.507 581 S N 0.643 115.613 115.700 -1.216 0.000 2.434 581 S HA -0.322 4.397 4.470 0.414 0.000 0.243 581 S C 1.917 175.955 174.600 -0.937 0.000 1.045 581 S CA 1.776 59.038 58.200 -1.565 0.000 1.019 581 S CB -0.385 62.353 63.200 -0.770 0.000 0.811 581 S HN 0.400 nan 8.310 nan 0.000 0.485 582 S N 2.165 117.527 115.700 -0.565 0.000 2.383 582 S HA -0.007 4.711 4.470 0.414 0.000 0.227 582 S C 1.878 176.291 174.600 -0.311 0.000 1.026 582 S CA 0.703 58.703 58.200 -0.333 0.000 0.981 582 S CB -0.494 62.566 63.200 -0.233 0.000 0.818 582 S HN 0.587 nan 8.310 nan 0.000 0.472 583 R N 0.150 120.428 120.500 -0.371 0.000 2.280 583 R HA 0.248 4.836 4.340 0.414 0.000 0.207 583 R C 1.786 177.778 176.300 -0.514 0.000 1.043 583 R CA 0.838 56.654 56.100 -0.473 0.000 1.006 583 R CB -0.385 29.643 30.300 -0.454 0.000 0.885 583 R HN 0.541 nan 8.270 nan 0.000 0.467 584 F N 0.308 120.111 119.950 -0.245 0.000 2.102 584 F HA -0.289 4.487 4.527 0.414 0.000 0.298 584 F C 2.613 178.401 175.800 -0.020 0.000 1.105 584 F CA 0.590 58.603 58.000 0.022 0.000 1.239 584 F CB -0.241 38.809 39.000 0.085 0.000 0.991 584 F HN 0.066 nan 8.300 nan 0.000 0.474 585 M N 1.121 120.786 119.600 0.108 0.000 2.108 585 M HA -0.260 4.468 4.480 0.414 0.000 0.261 585 M C 2.349 178.663 176.300 0.023 0.000 1.066 585 M CA 2.264 57.593 55.300 0.050 0.000 1.107 585 M CB -0.372 32.222 32.600 -0.010 0.000 1.356 585 M HN 0.248 nan 8.290 nan 0.000 0.406 586 E N -0.819 119.338 120.200 -0.071 0.000 2.110 586 E HA -0.239 4.359 4.350 0.414 0.000 0.193 586 E C 1.585 178.215 176.600 0.050 0.000 0.988 586 E CA 1.442 57.802 56.400 -0.067 0.000 0.804 586 E CB -0.764 28.834 29.700 -0.170 0.000 0.745 586 E HN 0.535 nan 8.360 nan 0.000 0.458 587 Y N 1.675 122.045 120.300 0.115 0.000 2.181 587 Y HA -0.009 4.790 4.550 0.414 0.000 0.288 587 Y C 1.028 176.980 175.900 0.087 0.000 1.146 587 Y CA 0.841 59.010 58.100 0.116 0.000 1.164 587 Y CB -0.308 38.244 38.460 0.154 0.000 0.982 587 Y HN 0.086 nan 8.280 nan 0.000 0.515 588 E N 0.495 120.837 120.200 0.236 0.000 2.261 588 E HA 0.113 4.712 4.350 0.414 0.000 0.308 588 E C 0.138 176.796 176.600 0.097 0.000 1.400 588 E CA -0.064 56.421 56.400 0.142 0.000 1.542 588 E CB 0.030 29.803 29.700 0.123 0.000 1.369 588 E HN 0.088 nan 8.360 nan 0.000 0.493 589 T N -0.326 114.285 114.554 0.096 0.000 2.773 589 T HA 0.139 4.738 4.350 0.414 0.000 0.278 589 T C -0.510 174.224 174.700 0.057 0.000 1.011 589 T CA -0.513 61.624 62.100 0.062 0.000 1.014 589 T CB 1.094 69.995 68.868 0.054 0.000 1.293 589 T HN 0.307 nan 8.240 nan 0.000 0.554 590 D N 0.547 120.962 120.400 0.025 0.000 2.720 590 D HA -0.141 4.748 4.640 0.414 0.000 0.229 590 D C -0.215 176.116 176.300 0.053 0.000 1.198 590 D CA 0.678 54.683 54.000 0.009 0.000 0.639 590 D CB -1.482 39.355 40.800 0.063 0.000 1.003 590 D HN 0.438 nan 8.370 nan 0.000 0.411 591 L N -0.652 120.593 121.223 0.036 0.000 2.490 591 L HA 0.537 5.126 4.340 0.414 0.000 0.245 591 L C 1.042 177.984 176.870 0.119 0.000 1.185 591 L CA -0.533 54.352 54.840 0.076 0.000 0.813 591 L CB 0.980 43.075 42.059 0.059 0.000 1.233 591 L HN -0.021 nan 8.230 nan 0.000 0.489 592 T N 0.739 115.377 114.554 0.141 0.000 2.930 592 T HA 0.274 4.873 4.350 0.414 0.000 0.313 592 T C -0.567 174.217 174.700 0.140 0.000 1.019 592 T CA -0.360 61.855 62.100 0.191 0.000 1.004 592 T CB 0.414 69.398 68.868 0.195 0.000 0.987 592 T HN 0.255 nan 8.240 nan 0.000 0.456 593 F N 4.107 124.084 119.950 0.045 0.000 2.607 593 F HA 0.195 4.971 4.527 0.414 0.000 0.374 593 F C 0.750 176.543 175.800 -0.012 0.000 1.104 593 F CA 0.405 58.407 58.000 0.004 0.000 1.296 593 F CB 0.592 39.590 39.000 -0.003 0.000 1.085 593 F HN 0.331 nan 8.300 nan 0.000 0.584 594 V N 4.337 123.814 119.914 -0.728 0.000 3.473 594 V HA 0.481 4.849 4.120 0.414 0.000 0.253 594 V C 0.849 176.694 176.094 -0.414 0.000 1.340 594 V CA 0.561 62.657 62.300 -0.340 0.000 1.103 594 V CB -0.009 31.654 31.823 -0.267 0.000 0.881 594 V HN 1.142 nan 8.190 nan 0.000 0.451 595 G N -0.636 107.520 108.800 -1.073 0.000 2.321 595 G HA2 0.500 4.709 3.960 0.414 0.000 0.296 595 G HA3 0.500 4.709 3.960 0.414 0.000 0.296 595 G C -2.148 172.362 174.900 -0.651 0.000 1.287 595 G CA -0.052 44.715 45.100 -0.556 0.000 0.846 595 G HN -0.014 nan 8.290 nan 0.000 0.508 596 V N -0.699 118.925 119.914 -0.484 0.000 3.049 596 V HA 0.835 5.204 4.120 0.414 0.000 0.309 596 V C -0.389 175.653 176.094 -0.087 0.000 1.148 596 V CA -0.525 61.574 62.300 -0.335 0.000 0.990 596 V CB 2.037 33.544 31.823 -0.526 0.000 1.039 596 V HN 1.578 nan 8.190 nan 0.000 0.430 597 V N -0.233 119.726 119.914 0.075 0.000 2.808 597 V HA 0.997 5.365 4.120 0.414 0.000 0.308 597 V C 0.001 176.279 176.094 0.307 0.000 1.099 597 V CA -0.484 61.936 62.300 0.200 0.000 0.920 597 V CB 1.579 33.438 31.823 0.059 0.000 1.014 597 V HN 1.070 nan 8.190 nan 0.000 0.425 598 G N 3.701 112.730 108.800 0.381 0.000 2.379 598 G HA2 0.728 4.936 3.960 0.414 0.000 0.327 598 G HA3 0.728 4.936 3.960 0.414 0.000 0.327 598 G C -0.765 174.199 174.900 0.106 0.000 1.145 598 G CA -0.842 44.440 45.100 0.302 0.000 0.905 598 G HN 0.713 nan 8.290 nan 0.000 0.466 599 M N 0.423 120.075 119.600 0.088 0.000 2.861 599 M HA 0.714 5.443 4.480 0.414 0.000 0.294 599 M C -1.137 175.174 176.300 0.019 0.000 1.185 599 M CA -0.975 54.350 55.300 0.041 0.000 0.809 599 M CB 2.292 34.921 32.600 0.048 0.000 1.722 599 M HN 0.391 nan 8.290 nan 0.000 0.496 600 L N 0.370 121.596 121.223 0.005 0.000 2.513 600 L HA 0.448 5.036 4.340 0.414 0.000 0.261 600 L C -1.924 174.942 176.870 -0.008 0.000 0.945 600 L CA -0.169 54.666 54.840 -0.009 0.000 0.848 600 L CB 2.081 44.120 42.059 -0.034 0.000 1.334 600 L HN 0.557 nan 8.230 nan 0.000 0.407 601 D N 6.070 126.468 120.400 -0.004 0.000 2.462 601 D HA 0.350 5.238 4.640 0.414 0.000 0.249 601 D C -2.506 173.785 176.300 -0.015 0.000 1.117 601 D CA -1.454 52.543 54.000 -0.004 0.000 0.900 601 D CB 1.520 42.323 40.800 0.006 0.000 1.039 601 D HN 0.318 nan 8.370 nan 0.000 0.516 602 P HA 0.094 nan 4.420 nan 0.000 0.260 602 P C -2.604 174.684 177.300 -0.021 0.000 1.185 602 P CA -0.960 62.123 63.100 -0.029 0.000 0.763 602 P CB 0.122 31.798 31.700 -0.040 0.000 0.776 603 P HA 0.144 nan 4.420 nan 0.000 0.267 603 P C 0.300 177.595 177.300 -0.010 0.000 1.205 603 P CA -0.021 63.066 63.100 -0.021 0.000 0.765 603 P CB 0.308 31.993 31.700 -0.025 0.000 0.828 604 R N 3.362 123.863 120.500 0.001 0.000 2.566 604 R HA -0.102 4.487 4.340 0.414 0.000 0.273 604 R C 1.175 177.488 176.300 0.022 0.000 0.981 604 R CA 0.881 56.993 56.100 0.019 0.000 1.091 604 R CB 0.164 30.493 30.300 0.048 0.000 0.924 604 R HN 0.252 nan 8.270 nan 0.000 0.411 605 K N 3.095 123.506 120.400 0.019 0.000 2.001 605 K HA -0.199 4.370 4.320 0.414 0.000 0.214 605 K C 1.543 178.162 176.600 0.032 0.000 1.050 605 K CA 2.462 58.760 56.287 0.018 0.000 0.934 605 K CB -0.181 32.327 32.500 0.013 0.000 0.718 605 K HN 0.656 nan 8.250 nan 0.000 0.443 606 E N -0.010 120.217 120.200 0.044 0.000 2.110 606 E HA -0.134 4.465 4.350 0.414 0.000 0.193 606 E C 1.869 178.529 176.600 0.100 0.000 0.988 606 E CA 1.200 57.637 56.400 0.061 0.000 0.804 606 E CB -0.472 29.262 29.700 0.057 0.000 0.745 606 E HN 0.286 nan 8.360 nan 0.000 0.458 607 V N -1.360 118.632 119.914 0.129 0.000 2.469 607 V HA -0.321 4.048 4.120 0.414 0.000 0.251 607 V C 1.994 178.154 176.094 0.109 0.000 1.064 607 V CA 1.508 63.922 62.300 0.189 0.000 1.066 607 V CB -0.479 31.393 31.823 0.082 0.000 0.667 607 V HN 0.149 nan 8.190 nan 0.000 0.461 608 M N 1.630 121.264 119.600 0.057 0.000 2.308 608 M HA -0.199 4.530 4.480 0.414 0.000 0.257 608 M C 2.232 178.561 176.300 0.048 0.000 1.070 608 M CA 2.726 58.047 55.300 0.035 0.000 1.080 608 M CB -1.886 30.729 32.600 0.024 0.000 1.274 608 M HN 0.593 nan 8.290 nan 0.000 0.434 609 G N -2.179 106.656 108.800 0.057 0.000 2.539 609 G HA2 -0.029 4.180 3.960 0.414 0.000 0.215 609 G HA3 -0.029 4.180 3.960 0.414 0.000 0.215 609 G C 1.587 176.535 174.900 0.080 0.000 1.141 609 G CA 0.655 45.788 45.100 0.055 0.000 0.806 609 G HN 0.492 nan 8.290 nan 0.000 0.533 610 S N 0.858 116.630 115.700 0.119 0.000 2.402 610 S HA -0.109 4.609 4.470 0.414 0.000 0.233 610 S C 2.251 176.987 174.600 0.227 0.000 1.030 610 S CA 0.716 59.009 58.200 0.154 0.000 1.003 610 S CB -0.119 63.212 63.200 0.218 0.000 0.813 610 S HN 0.248 nan 8.310 nan 0.000 0.477 611 I N 1.493 122.204 120.570 0.235 0.000 2.202 611 I HA -0.109 4.309 4.170 0.414 0.000 0.242 611 I C 2.696 178.873 176.117 0.101 0.000 1.091 611 I CA 1.195 62.600 61.300 0.175 0.000 1.368 611 I CB -1.462 36.569 38.000 0.052 0.000 1.058 611 I HN 0.289 nan 8.210 nan 0.000 0.410 612 Q N 0.964 120.806 119.800 0.070 0.000 2.045 612 Q HA -0.213 4.375 4.340 0.414 0.000 0.206 612 Q C 2.477 178.504 176.000 0.045 0.000 0.991 612 Q CA 1.694 57.525 55.803 0.047 0.000 0.851 612 Q CB -0.681 28.079 28.738 0.037 0.000 0.911 612 Q HN 0.477 nan 8.270 nan 0.000 0.418 613 L N -0.283 120.968 121.223 0.048 0.000 2.034 613 L HA -0.346 4.243 4.340 0.414 0.000 0.217 613 L C 2.701 179.591 176.870 0.034 0.000 1.077 613 L CA 1.711 56.571 54.840 0.033 0.000 0.769 613 L CB -0.497 41.576 42.059 0.024 0.000 0.890 613 L HN 0.331 nan 8.230 nan 0.000 0.435 614 C N -0.962 118.369 119.300 0.052 0.000 2.422 614 C HA -0.121 4.588 4.460 0.414 0.000 0.279 614 C C 2.784 177.797 174.990 0.039 0.000 1.305 614 C CA 0.256 59.304 59.018 0.051 0.000 1.757 614 C CB -1.139 26.655 27.740 0.091 0.000 1.962 614 C HN 0.453 nan 8.230 nan 0.000 0.499 615 R N 1.311 121.834 120.500 0.037 0.000 2.073 615 R HA -0.037 4.552 4.340 0.414 0.000 0.229 615 R C 1.644 177.957 176.300 0.022 0.000 1.120 615 R CA 1.246 57.361 56.100 0.026 0.000 0.967 615 R CB -1.098 29.217 30.300 0.024 0.000 0.862 615 R HN 0.555 nan 8.270 nan 0.000 0.436 616 D N 1.007 121.420 120.400 0.022 0.000 2.084 616 D HA -0.109 4.779 4.640 0.414 0.000 0.194 616 D C 1.494 177.804 176.300 0.016 0.000 0.990 616 D CA 1.707 55.717 54.000 0.017 0.000 0.826 616 D CB -0.285 40.525 40.800 0.016 0.000 0.971 616 D HN 0.192 nan 8.370 nan 0.000 0.453 617 A N 0.013 122.843 122.820 0.017 0.000 2.239 617 A HA 0.306 4.874 4.320 0.414 0.000 0.209 617 A C 1.791 179.386 177.584 0.018 0.000 1.171 617 A CA 1.168 53.215 52.037 0.015 0.000 0.768 617 A CB -0.673 18.334 19.000 0.013 0.000 0.790 617 A HN 0.296 nan 8.150 nan 0.000 0.478 618 G N -0.807 108.004 108.800 0.019 0.000 2.187 618 G HA2 -0.268 3.941 3.960 0.414 0.000 0.261 618 G HA3 -0.268 3.941 3.960 0.414 0.000 0.261 618 G C 0.128 175.041 174.900 0.022 0.000 1.000 618 G CA 0.565 45.676 45.100 0.018 0.000 0.718 618 G HN 0.547 nan 8.290 nan 0.000 0.519 619 I N 0.791 121.377 120.570 0.027 0.000 2.312 619 I HA 0.265 4.684 4.170 0.414 0.000 0.291 619 I C 1.139 177.280 176.117 0.041 0.000 1.031 619 I CA -0.688 60.632 61.300 0.033 0.000 1.293 619 I CB 0.891 38.910 38.000 0.032 0.000 1.403 619 I HN 0.090 nan 8.210 nan 0.000 0.484 620 R N 5.380 125.904 120.500 0.040 0.000 2.531 620 R HA 0.517 5.106 4.340 0.414 0.000 0.273 620 R C -1.081 175.250 176.300 0.052 0.000 1.070 620 R CA -0.309 55.811 56.100 0.034 0.000 1.112 620 R CB 1.691 32.009 30.300 0.030 0.000 1.049 620 R HN 0.457 nan 8.270 nan 0.000 0.508 621 V N 6.057 125.991 119.914 0.032 0.000 2.525 621 V HA 0.446 4.814 4.120 0.414 0.000 0.299 621 V C -0.781 175.301 176.094 -0.019 0.000 1.034 621 V CA -0.653 61.676 62.300 0.049 0.000 0.863 621 V CB 1.513 33.388 31.823 0.086 0.000 0.999 621 V HN 0.652 nan 8.190 nan 0.000 0.423 622 I N 7.372 127.956 120.570 0.023 0.000 2.354 622 I HA 0.458 4.876 4.170 0.414 0.000 0.292 622 I C 0.034 176.169 176.117 0.030 0.000 0.989 622 I CA -0.479 60.835 61.300 0.023 0.000 1.188 622 I CB 1.823 39.908 38.000 0.142 0.000 1.342 622 I HN 0.579 nan 8.210 nan 0.000 0.457 623 M N 7.436 127.027 119.600 -0.016 0.000 2.157 623 M HA 0.511 5.240 4.480 0.414 0.000 0.354 623 M C -1.296 175.052 176.300 0.081 0.000 1.170 623 M CA -0.322 54.971 55.300 -0.012 0.000 1.060 623 M CB 1.007 33.560 32.600 -0.079 0.000 1.615 623 M HN 0.536 nan 8.290 nan 0.000 0.460 624 I N 4.294 124.910 120.570 0.077 0.000 2.355 624 I HA 0.343 4.762 4.170 0.414 0.000 0.288 624 I C -0.225 175.928 176.117 0.060 0.000 0.999 624 I CA -0.307 61.055 61.300 0.103 0.000 1.163 624 I CB 1.911 39.945 38.000 0.056 0.000 1.316 624 I HN 0.656 nan 8.210 nan 0.000 0.454 625 T N 2.854 117.452 114.554 0.074 0.000 2.883 625 T HA 0.449 5.047 4.350 0.414 0.000 0.301 625 T C 0.764 175.500 174.700 0.060 0.000 1.158 625 T CA -0.330 61.800 62.100 0.050 0.000 1.007 625 T CB 1.753 70.644 68.868 0.038 0.000 1.186 625 T HN 0.681 nan 8.240 nan 0.000 0.499 626 G N 1.372 110.198 108.800 0.044 0.000 2.920 626 G HA2 0.135 4.344 3.960 0.414 0.000 0.208 626 G HA3 0.135 4.344 3.960 0.414 0.000 0.208 626 G C 0.330 175.263 174.900 0.056 0.000 1.159 626 G CA -0.084 45.045 45.100 0.048 0.000 0.784 626 G HN 0.717 nan 8.290 nan 0.000 0.535 627 D N 0.892 121.325 120.400 0.055 0.000 2.382 627 D HA 0.020 4.909 4.640 0.414 0.000 0.240 627 D C 0.608 176.951 176.300 0.070 0.000 1.146 627 D CA -0.046 53.989 54.000 0.058 0.000 0.897 627 D CB 0.780 41.612 40.800 0.053 0.000 1.197 627 D HN 0.496 nan 8.370 nan 0.000 0.432 628 N N 0.318 119.060 118.700 0.071 0.000 2.441 628 N HA -0.074 4.914 4.740 0.414 0.000 0.251 628 N C 0.955 176.508 175.510 0.071 0.000 1.242 628 N CA -0.516 52.578 53.050 0.074 0.000 0.898 628 N CB 1.276 39.805 38.487 0.070 0.000 1.100 628 N HN 0.330 nan 8.380 nan 0.000 0.443 629 K N 1.743 122.187 120.400 0.074 0.000 2.127 629 K HA -0.230 4.338 4.320 0.414 0.000 0.208 629 K C 1.791 178.420 176.600 0.048 0.000 1.047 629 K CA 1.950 58.276 56.287 0.066 0.000 0.927 629 K CB -0.738 31.797 32.500 0.058 0.000 0.716 629 K HN 0.798 nan 8.250 nan 0.000 0.450 630 G N -0.028 108.799 108.800 0.044 0.000 2.604 630 G HA2 -0.268 3.940 3.960 0.414 0.000 0.216 630 G HA3 -0.268 3.940 3.960 0.414 0.000 0.216 630 G C 1.395 176.321 174.900 0.043 0.000 1.265 630 G CA 1.544 46.665 45.100 0.035 0.000 0.804 630 G HN 0.377 nan 8.290 nan 0.000 0.579 631 T N 1.766 116.353 114.554 0.055 0.000 2.833 631 T HA 0.043 4.642 4.350 0.414 0.000 0.269 631 T C 2.709 177.442 174.700 0.056 0.000 1.054 631 T CA 1.457 63.592 62.100 0.058 0.000 1.135 631 T CB -0.401 68.507 68.868 0.067 0.000 0.869 631 T HN 0.442 nan 8.240 nan 0.000 0.466 632 A N 1.831 124.687 122.820 0.060 0.000 1.849 632 A HA -0.130 4.439 4.320 0.414 0.000 0.217 632 A C 2.235 179.867 177.584 0.081 0.000 1.202 632 A CA 1.637 53.713 52.037 0.065 0.000 0.629 632 A CB -1.012 18.032 19.000 0.074 0.000 0.834 632 A HN 0.499 nan 8.150 nan 0.000 0.447 633 I N -0.281 120.343 120.570 0.091 0.000 2.113 633 I HA -0.401 4.018 4.170 0.414 0.000 0.242 633 I C 3.030 179.214 176.117 0.113 0.000 1.064 633 I CA 1.474 62.852 61.300 0.130 0.000 1.320 633 I CB -0.610 37.407 38.000 0.027 0.000 1.028 633 I HN 0.430 nan 8.210 nan 0.000 0.406 634 A N 1.223 124.079 122.820 0.059 0.000 1.903 634 A HA -0.258 4.311 4.320 0.414 0.000 0.219 634 A C 2.226 179.842 177.584 0.054 0.000 1.191 634 A CA 2.281 54.347 52.037 0.047 0.000 0.638 634 A CB -1.126 17.898 19.000 0.039 0.000 0.823 634 A HN 0.487 nan 8.150 nan 0.000 0.451 635 I N -0.880 119.720 120.570 0.050 0.000 2.264 635 I HA -0.327 4.092 4.170 0.414 0.000 0.248 635 I C 2.565 178.699 176.117 0.028 0.000 1.111 635 I CA 1.189 62.507 61.300 0.030 0.000 1.382 635 I CB -0.736 37.276 38.000 0.020 0.000 1.060 635 I HN 0.395 nan 8.210 nan 0.000 0.418 636 C N 0.829 120.167 119.300 0.063 0.000 2.432 636 C HA -0.121 4.588 4.460 0.414 0.000 0.277 636 C C 2.996 178.045 174.990 0.099 0.000 1.249 636 C CA 0.853 59.906 59.018 0.058 0.000 1.725 636 C CB -1.079 26.737 27.740 0.127 0.000 2.028 636 C HN 0.427 nan 8.230 nan 0.000 0.477 637 R N 0.219 120.816 120.500 0.161 0.000 2.127 637 R HA -0.169 4.420 4.340 0.414 0.000 0.238 637 R C 2.334 178.672 176.300 0.062 0.000 1.134 637 R CA 1.474 57.651 56.100 0.128 0.000 0.975 637 R CB -0.360 29.987 30.300 0.078 0.000 0.865 637 R HN 0.540 nan 8.270 nan 0.000 0.447 638 R N 1.520 122.044 120.500 0.039 0.000 2.148 638 R HA -0.030 4.559 4.340 0.414 0.000 0.223 638 R C 1.905 178.206 176.300 0.002 0.000 1.088 638 R CA 1.064 57.173 56.100 0.015 0.000 0.985 638 R CB 0.014 30.319 30.300 0.007 0.000 0.880 638 R HN 0.379 nan 8.270 nan 0.000 0.451 639 I N -3.818 116.747 120.570 -0.009 0.000 3.928 639 I HA 0.445 4.864 4.170 0.414 0.000 0.335 639 I C 0.784 176.886 176.117 -0.025 0.000 1.325 639 I CA 0.486 61.767 61.300 -0.032 0.000 1.107 639 I CB 0.808 38.760 38.000 -0.080 0.000 1.014 639 I HN 0.245 nan 8.210 nan 0.000 0.400 640 G N 1.853 110.653 108.800 0.001 0.000 2.176 640 G HA2 -0.255 3.954 3.960 0.414 0.000 0.253 640 G HA3 -0.255 3.954 3.960 0.414 0.000 0.253 640 G C 0.716 175.613 174.900 -0.005 0.000 0.979 640 G CA 0.339 45.446 45.100 0.012 0.000 0.641 640 G HN 0.326 nan 8.290 nan 0.000 0.530 641 I N -0.190 120.345 120.570 -0.058 0.000 2.567 641 I HA 0.169 4.588 4.170 0.414 0.000 0.257 641 I C 1.185 177.191 176.117 -0.184 0.000 1.184 641 I CA 1.143 62.340 61.300 -0.171 0.000 1.451 641 I CB -0.788 37.036 38.000 -0.294 0.000 1.089 641 I HN 0.297 nan 8.210 nan 0.000 0.441 642 F N -0.687 119.247 119.950 -0.027 0.000 2.577 642 F HA 0.559 5.335 4.527 0.415 0.000 0.318 642 F C 0.923 176.710 175.800 -0.021 0.000 1.065 642 F CA -1.106 56.879 58.000 -0.026 0.000 0.929 642 F CB 1.921 40.901 39.000 -0.033 0.000 1.237 642 F HN -0.187 nan 8.300 nan 0.000 0.468 643 G N 1.334 110.274 108.800 0.232 0.000 2.364 643 G HA2 0.086 4.295 3.960 0.414 0.000 0.267 643 G HA3 0.086 4.295 3.960 0.414 0.000 0.267 643 G C 0.565 175.489 174.900 0.040 0.000 1.233 643 G CA -0.224 44.932 45.100 0.093 0.000 0.885 643 G HN 0.928 nan 8.290 nan 0.000 0.490 644 E N 1.993 122.212 120.200 0.031 0.000 2.279 644 E HA -0.217 4.381 4.350 0.414 0.000 0.205 644 E C 0.689 177.276 176.600 -0.022 0.000 1.028 644 E CA 1.363 57.768 56.400 0.008 0.000 0.830 644 E CB 0.166 29.870 29.700 0.007 0.000 0.736 644 E HN 0.562 nan 8.360 nan 0.000 0.478 645 N N 0.256 118.939 118.700 -0.030 0.000 2.307 645 N HA 0.035 5.023 4.740 0.414 0.000 0.248 645 N C -1.081 174.390 175.510 -0.065 0.000 1.322 645 N CA 0.046 53.067 53.050 -0.048 0.000 0.861 645 N CB 0.747 39.215 38.487 -0.032 0.000 1.303 645 N HN 0.304 nan 8.380 nan 0.000 0.498 646 E N 0.046 120.197 120.200 -0.082 0.000 2.283 646 E HA 0.309 4.908 4.350 0.414 0.000 0.267 646 E C -0.420 176.075 176.600 -0.175 0.000 1.045 646 E CA -0.601 55.743 56.400 -0.094 0.000 0.884 646 E CB 1.298 30.969 29.700 -0.048 0.000 1.106 646 E HN -0.206 nan 8.360 nan 0.000 0.408 647 E N 1.239 121.351 120.200 -0.147 0.000 2.290 647 E HA 0.080 4.679 4.350 0.414 0.000 0.277 647 E C 0.038 176.490 176.600 -0.247 0.000 1.035 647 E CA -0.109 56.185 56.400 -0.177 0.000 0.873 647 E CB 1.669 31.303 29.700 -0.110 0.000 1.029 647 E HN 0.520 nan 8.360 nan 0.000 0.419 648 V N 0.932 120.624 119.914 -0.370 0.000 3.159 648 V HA 0.355 4.724 4.120 0.414 0.000 0.333 648 V C 1.328 177.255 176.094 -0.277 0.000 1.424 648 V CA 0.416 62.439 62.300 -0.460 0.000 1.125 648 V CB 0.352 31.437 31.823 -1.229 0.000 1.075 648 V HN 0.528 nan 8.190 nan 0.000 0.482 649 A N 2.350 125.042 122.820 -0.214 0.000 1.892 649 A HA -0.232 4.337 4.320 0.414 0.000 0.218 649 A C 1.681 179.118 177.584 -0.246 0.000 1.188 649 A CA 2.383 54.305 52.037 -0.192 0.000 0.631 649 A CB -0.580 18.341 19.000 -0.132 0.000 0.822 649 A HN 0.856 nan 8.150 nan 0.000 0.447 650 D N -1.665 118.632 120.400 -0.172 0.000 2.587 650 D HA 0.127 5.016 4.640 0.414 0.000 0.233 650 D C 0.703 176.961 176.300 -0.071 0.000 1.213 650 D CA -0.187 53.727 54.000 -0.143 0.000 0.827 650 D CB -0.239 40.561 40.800 0.001 0.000 1.006 650 D HN 0.578 nan 8.370 nan 0.000 0.490 651 R N -0.505 119.919 120.500 -0.126 0.000 2.538 651 R HA 0.529 5.118 4.340 0.414 0.000 0.372 651 R C -0.254 176.095 176.300 0.081 0.000 0.950 651 R CA -0.344 55.813 56.100 0.096 0.000 1.168 651 R CB 1.382 31.851 30.300 0.282 0.000 1.542 651 R HN 0.122 nan 8.270 nan 0.000 0.536 652 A N 0.999 123.675 122.820 -0.239 0.000 2.456 652 A HA 0.657 5.226 4.320 0.414 0.000 0.288 652 A C -1.658 175.683 177.584 -0.406 0.000 1.042 652 A CA -0.592 51.337 52.037 -0.180 0.000 0.738 652 A CB 0.861 19.890 19.000 0.048 0.000 1.266 652 A HN 0.148 nan 8.150 nan 0.000 0.407 653 Y N 0.185 120.410 120.300 -0.125 0.000 2.602 653 Y HA 0.754 5.553 4.550 0.414 0.000 0.342 653 Y C 0.948 176.939 175.900 0.153 0.000 1.029 653 Y CA -0.506 57.626 58.100 0.054 0.000 1.080 653 Y CB 1.971 40.544 38.460 0.188 0.000 1.284 653 Y HN 0.710 nan 8.280 nan 0.000 0.485 654 T N -2.654 112.127 114.554 0.378 0.000 2.929 654 T HA 0.433 5.032 4.350 0.414 0.000 0.284 654 T C 1.238 176.178 174.700 0.400 0.000 1.014 654 T CA -0.242 62.047 62.100 0.316 0.000 1.051 654 T CB 1.500 70.499 68.868 0.218 0.000 1.028 654 T HN 0.864 nan 8.240 nan 0.000 0.485 655 G N 1.343 110.352 108.800 0.348 0.000 2.505 655 G HA2 -0.255 3.953 3.960 0.414 0.000 0.220 655 G HA3 -0.255 3.953 3.960 0.414 0.000 0.220 655 G C 1.674 176.843 174.900 0.447 0.000 1.145 655 G CA 0.406 45.759 45.100 0.422 0.000 0.761 655 G HN 0.674 nan 8.290 nan 0.000 0.571 656 R N 0.477 121.149 120.500 0.287 0.000 2.082 656 R HA -0.059 4.530 4.340 0.414 0.000 0.228 656 R C 2.635 179.091 176.300 0.259 0.000 1.140 656 R CA 1.697 57.935 56.100 0.230 0.000 0.920 656 R CB -0.926 29.468 30.300 0.157 0.000 0.828 656 R HN 0.536 nan 8.270 nan 0.000 0.430 657 E N -0.384 119.973 120.200 0.261 0.000 2.169 657 E HA -0.250 4.349 4.350 0.414 0.000 0.202 657 E C 1.835 178.608 176.600 0.288 0.000 1.016 657 E CA 1.590 58.146 56.400 0.260 0.000 0.817 657 E CB -0.348 29.529 29.700 0.295 0.000 0.736 657 E HN 0.281 nan 8.360 nan 0.000 0.462 658 F N 1.997 122.074 119.950 0.211 0.000 2.069 658 F HA -0.249 4.526 4.527 0.414 0.000 0.298 658 F C 1.851 177.695 175.800 0.073 0.000 1.113 658 F CA 1.720 59.787 58.000 0.112 0.000 1.214 658 F CB 0.071 39.124 39.000 0.089 0.000 0.978 658 F HN -0.079 nan 8.300 nan 0.000 0.474 659 D N 0.202 120.719 120.400 0.196 0.000 2.178 659 D HA -0.185 4.704 4.640 0.414 0.000 0.201 659 D C 1.831 178.133 176.300 0.004 0.000 0.980 659 D CA 1.345 55.401 54.000 0.092 0.000 0.842 659 D CB -0.650 40.279 40.800 0.216 0.000 0.948 659 D HN 0.406 nan 8.370 nan 0.000 0.472 660 D N 0.443 120.866 120.400 0.039 0.000 2.182 660 D HA -0.087 4.801 4.640 0.414 0.000 0.201 660 D C 0.903 177.186 176.300 -0.027 0.000 0.986 660 D CA 0.482 54.496 54.000 0.024 0.000 0.847 660 D CB 0.155 40.991 40.800 0.059 0.000 0.942 660 D HN 0.263 nan 8.370 nan 0.000 0.467 661 L N 2.330 123.497 121.223 -0.093 0.000 2.417 661 L HA 0.213 4.802 4.340 0.414 0.000 0.268 661 L C -1.984 174.788 176.870 -0.163 0.000 1.158 661 L CA -1.681 53.077 54.840 -0.136 0.000 0.819 661 L CB 0.422 42.352 42.059 -0.216 0.000 1.112 661 L HN -0.153 nan 8.230 nan 0.000 0.458 662 P HA 0.114 nan 4.420 nan 0.000 0.278 662 P C 0.514 177.741 177.300 -0.122 0.000 1.238 662 P CA -0.571 62.473 63.100 -0.092 0.000 0.794 662 P CB 1.119 32.784 31.700 -0.057 0.000 0.955 663 L N 1.627 122.805 121.223 -0.075 0.000 2.369 663 L HA -0.260 4.329 4.340 0.414 0.000 0.220 663 L C 2.526 179.332 176.870 -0.107 0.000 1.119 663 L CA 2.417 57.231 54.840 -0.043 0.000 0.780 663 L CB -1.543 40.539 42.059 0.040 0.000 0.906 663 L HN 0.444 nan 8.230 nan 0.000 0.442 664 A N -0.199 122.563 122.820 -0.096 0.000 1.832 664 A HA -0.150 4.419 4.320 0.414 0.000 0.214 664 A C 2.247 179.748 177.584 -0.138 0.000 1.204 664 A CA 1.310 53.291 52.037 -0.094 0.000 0.606 664 A CB -0.465 18.502 19.000 -0.054 0.000 0.849 664 A HN 0.464 nan 8.150 nan 0.000 0.445 665 E N -0.433 119.689 120.200 -0.130 0.000 2.268 665 E HA -0.203 4.396 4.350 0.414 0.000 0.195 665 E C 2.134 178.592 176.600 -0.237 0.000 0.995 665 E CA 0.982 57.302 56.400 -0.133 0.000 0.836 665 E CB -0.130 29.514 29.700 -0.093 0.000 0.763 665 E HN 0.750 nan 8.360 nan 0.000 0.491 666 Q N 1.187 120.782 119.800 -0.342 0.000 1.967 666 Q HA -0.199 4.389 4.340 0.414 0.000 0.202 666 Q C 2.305 177.920 176.000 -0.642 0.000 0.985 666 Q CA 1.539 57.019 55.803 -0.538 0.000 0.839 666 Q CB -0.016 28.441 28.738 -0.468 0.000 0.906 666 Q HN 0.075 nan 8.270 nan 0.000 0.423 667 R N 0.107 120.006 120.500 -1.002 0.000 2.127 667 R HA -0.227 4.362 4.340 0.414 0.000 0.238 667 R C 2.008 178.098 176.300 -0.350 0.000 1.134 667 R CA 1.707 57.052 56.100 -1.258 0.000 0.975 667 R CB -0.079 29.657 30.300 -0.939 0.000 0.865 667 R HN 0.251 nan 8.270 nan 0.000 0.447 668 E N 0.598 120.691 120.200 -0.178 0.000 2.001 668 E HA -0.152 4.447 4.350 0.414 0.000 0.195 668 E C 1.762 178.386 176.600 0.040 0.000 1.002 668 E CA 1.968 58.374 56.400 0.009 0.000 0.819 668 E CB -0.551 29.139 29.700 -0.017 0.000 0.769 668 E HN 0.327 nan 8.360 nan 0.000 0.454 669 A N 0.043 122.849 122.820 -0.023 0.000 2.054 669 A HA -0.287 4.282 4.320 0.414 0.000 0.223 669 A C 2.536 180.178 177.584 0.098 0.000 1.169 669 A CA 1.803 53.840 52.037 -0.001 0.000 0.655 669 A CB -1.330 17.429 19.000 -0.401 0.000 0.812 669 A HN 0.555 nan 8.150 nan 0.000 0.462 670 C N -0.638 118.756 119.300 0.157 0.000 2.446 670 C HA -0.031 4.678 4.460 0.414 0.000 0.279 670 C C 2.775 177.920 174.990 0.259 0.000 1.366 670 C CA 0.981 60.170 59.018 0.284 0.000 1.763 670 C CB -1.124 26.816 27.740 0.333 0.000 1.929 670 C HN 0.805 nan 8.230 nan 0.000 0.509 671 R N 0.174 120.815 120.500 0.235 0.000 2.240 671 R HA 0.085 4.673 4.340 0.414 0.000 0.203 671 R C 1.913 178.251 176.300 0.063 0.000 1.011 671 R CA 0.813 56.989 56.100 0.127 0.000 1.007 671 R CB -0.203 30.028 30.300 -0.115 0.000 0.911 671 R HN 0.280 nan 8.270 nan 0.000 0.468 672 R N 1.315 121.871 120.500 0.094 0.000 2.164 672 R HA 0.315 4.903 4.340 0.414 0.000 0.198 672 R C 0.303 176.664 176.300 0.102 0.000 1.028 672 R CA 0.810 56.963 56.100 0.089 0.000 1.083 672 R CB -0.016 30.348 30.300 0.107 0.000 1.026 672 R HN 0.248 nan 8.270 nan 0.000 0.514 673 A N -0.454 122.450 122.820 0.139 0.000 2.507 673 A HA 0.136 4.705 4.320 0.414 0.000 0.235 673 A C 0.339 177.882 177.584 -0.068 0.000 1.070 673 A CA 0.416 52.487 52.037 0.057 0.000 0.768 673 A CB 0.127 19.107 19.000 -0.034 0.000 1.011 673 A HN 0.628 nan 8.150 nan 0.000 0.502 674 C N -0.206 118.984 119.300 -0.183 0.000 3.911 674 C HA 0.386 5.095 4.460 0.414 0.000 0.318 674 C C 0.191 175.017 174.990 -0.273 0.000 1.643 674 C CA -0.211 58.659 59.018 -0.247 0.000 1.845 674 C CB -1.129 26.357 27.740 -0.424 0.000 2.981 674 C HN 0.911 nan 8.230 nan 0.000 0.656 675 C N 1.697 120.830 119.300 -0.277 0.000 2.727 675 C HA 0.688 5.397 4.460 0.414 0.000 0.369 675 C C -1.504 173.370 174.990 -0.193 0.000 1.067 675 C CA -0.475 58.454 59.018 -0.149 0.000 1.273 675 C CB -0.842 26.877 27.740 -0.035 0.000 1.778 675 C HN 0.435 nan 8.230 nan 0.000 0.467 676 F N 4.728 124.712 119.950 0.057 0.000 2.426 676 F HA 0.680 5.455 4.527 0.414 0.000 0.348 676 F C 0.671 176.509 175.800 0.063 0.000 1.124 676 F CA -0.126 57.915 58.000 0.067 0.000 1.008 676 F CB 1.705 40.700 39.000 -0.009 0.000 1.139 676 F HN 0.810 nan 8.300 nan 0.000 0.452 677 A N 3.456 126.431 122.820 0.259 0.000 2.330 677 A HA 0.786 5.355 4.320 0.414 0.000 0.327 677 A C 0.057 177.744 177.584 0.172 0.000 1.155 677 A CA -0.828 51.314 52.037 0.174 0.000 0.803 677 A CB 0.787 19.865 19.000 0.130 0.000 1.208 677 A HN 0.768 nan 8.150 nan 0.000 0.477 678 R N -0.025 120.549 120.500 0.124 0.000 3.336 678 R HA -0.130 4.459 4.340 0.414 0.000 0.260 678 R C -0.178 176.185 176.300 0.105 0.000 1.032 678 R CA 0.703 56.863 56.100 0.100 0.000 0.693 678 R CB -2.772 27.590 30.300 0.103 0.000 1.134 678 R HN 0.944 nan 8.270 nan 0.000 0.433 679 V N 1.505 121.479 119.914 0.099 0.000 2.599 679 V HA -0.023 4.345 4.120 0.414 0.000 0.300 679 V C 1.307 177.365 176.094 -0.060 0.000 1.034 679 V CA 0.267 62.621 62.300 0.091 0.000 1.115 679 V CB 0.751 32.594 31.823 0.033 0.000 0.934 679 V HN 0.230 nan 8.190 nan 0.000 0.485 680 E N 8.345 128.355 120.200 -0.316 0.000 2.435 680 E HA 0.175 4.774 4.350 0.414 0.000 0.254 680 E C -1.524 174.827 176.600 -0.415 0.000 1.289 680 E CA -1.156 54.903 56.400 -0.569 0.000 0.983 680 E CB -0.106 28.941 29.700 -1.089 0.000 1.010 680 E HN 0.559 nan 8.360 nan 0.000 0.509 681 P HA -0.106 nan 4.420 nan 0.000 0.210 681 P C 0.649 177.877 177.300 -0.120 0.000 1.191 681 P CA 1.098 64.096 63.100 -0.170 0.000 0.917 681 P CB 0.018 31.634 31.700 -0.140 0.000 0.778 682 S N -0.726 114.920 115.700 -0.090 0.000 3.869 682 S HA 0.107 4.825 4.470 0.414 0.000 0.241 682 S C 0.549 175.228 174.600 0.131 0.000 1.363 682 S CA -0.335 57.860 58.200 -0.007 0.000 0.894 682 S CB -1.452 61.750 63.200 0.004 0.000 1.519 682 S HN 0.173 nan 8.310 nan 0.000 0.470 683 H N 1.285 120.277 119.070 -0.130 0.000 2.998 683 H HA 0.230 5.035 4.556 0.414 0.000 0.223 683 H C 1.613 176.764 175.328 -0.295 0.000 0.906 683 H CA -0.224 55.694 56.048 -0.216 0.000 1.014 683 H CB 0.440 30.039 29.762 -0.273 0.000 1.389 683 H HN 0.377 nan 8.280 nan 0.000 0.467 684 K N 0.738 121.074 120.400 -0.105 0.000 2.147 684 K HA -0.093 4.475 4.320 0.414 0.000 0.205 684 K C 2.167 178.686 176.600 -0.136 0.000 1.049 684 K CA 1.333 57.529 56.287 -0.153 0.000 0.936 684 K CB 0.067 32.508 32.500 -0.100 0.000 0.722 684 K HN -0.005 nan 8.250 nan 0.000 0.446 685 S N 0.981 116.618 115.700 -0.104 0.000 2.377 685 S HA -0.069 4.650 4.470 0.414 0.000 0.223 685 S C 1.743 176.249 174.600 -0.156 0.000 1.030 685 S CA 0.984 59.120 58.200 -0.106 0.000 0.970 685 S CB 0.100 63.252 63.200 -0.080 0.000 0.830 685 S HN 0.163 nan 8.310 nan 0.000 0.473 686 K N 0.679 120.982 120.400 -0.162 0.000 2.032 686 K HA -0.046 4.523 4.320 0.414 0.000 0.209 686 K C 2.040 178.462 176.600 -0.296 0.000 1.048 686 K CA 1.729 57.868 56.287 -0.247 0.000 0.927 686 K CB -0.404 32.033 32.500 -0.105 0.000 0.712 686 K HN 0.464 nan 8.250 nan 0.000 0.441 687 I N 0.681 121.099 120.570 -0.253 0.000 2.142 687 I HA -0.261 4.158 4.170 0.414 0.000 0.240 687 I C 2.278 178.354 176.117 -0.069 0.000 1.078 687 I CA 1.093 62.292 61.300 -0.169 0.000 1.343 687 I CB -0.433 37.337 38.000 -0.384 0.000 1.046 687 I HN -0.079 nan 8.210 nan 0.000 0.405 688 V N 0.835 120.687 119.914 -0.104 0.000 2.568 688 V HA -0.269 4.100 4.120 0.414 0.000 0.253 688 V C 2.476 178.521 176.094 -0.080 0.000 1.072 688 V CA 1.904 64.167 62.300 -0.062 0.000 1.084 688 V CB -0.651 31.134 31.823 -0.065 0.000 0.676 688 V HN 0.409 nan 8.190 nan 0.000 0.469 689 E N -0.254 119.844 120.200 -0.171 0.000 2.031 689 E HA -0.202 4.397 4.350 0.414 0.000 0.193 689 E C 2.033 178.533 176.600 -0.166 0.000 0.994 689 E CA 1.831 58.091 56.400 -0.234 0.000 0.800 689 E CB -0.299 29.141 29.700 -0.433 0.000 0.752 689 E HN 0.670 nan 8.360 nan 0.000 0.447 690 Y N -0.502 119.757 120.300 -0.068 0.000 2.184 690 Y HA -0.030 4.768 4.550 0.414 0.000 0.290 690 Y C 1.956 177.783 175.900 -0.121 0.000 1.129 690 Y CA 0.476 58.502 58.100 -0.124 0.000 1.144 690 Y CB -0.701 37.733 38.460 -0.043 0.000 0.995 690 Y HN 0.070 nan 8.280 nan 0.000 0.513 691 L N 0.228 121.550 121.223 0.166 0.000 2.447 691 L HA -0.206 4.383 4.340 0.414 0.000 0.225 691 L C 1.954 178.891 176.870 0.112 0.000 1.148 691 L CA 1.544 56.486 54.840 0.171 0.000 0.808 691 L CB -0.931 41.210 42.059 0.137 0.000 0.928 691 L HN 0.342 nan 8.230 nan 0.000 0.448 692 Q N -2.035 117.788 119.800 0.038 0.000 2.373 692 Q HA -0.012 4.577 4.340 0.414 0.000 0.210 692 Q C 2.115 178.104 176.000 -0.017 0.000 0.913 692 Q CA 0.734 56.546 55.803 0.015 0.000 0.911 692 Q CB 0.285 29.015 28.738 -0.013 0.000 1.040 692 Q HN 0.572 nan 8.270 nan 0.000 0.521 693 S N -0.684 114.952 115.700 -0.107 0.000 2.547 693 S HA -0.105 4.613 4.470 0.414 0.000 0.235 693 S C 0.768 175.251 174.600 -0.195 0.000 0.980 693 S CA 0.615 58.701 58.200 -0.190 0.000 0.941 693 S CB -0.195 62.835 63.200 -0.283 0.000 0.763 693 S HN 0.420 nan 8.310 nan 0.000 0.532 694 Y N 1.238 121.574 120.300 0.060 0.000 2.720 694 Y HA 0.261 5.059 4.550 0.414 0.000 0.277 694 Y C -0.124 175.797 175.900 0.035 0.000 1.144 694 Y CA -0.879 57.247 58.100 0.044 0.000 1.221 694 Y CB -0.130 38.358 38.460 0.047 0.000 1.163 694 Y HN 0.215 nan 8.280 nan 0.000 0.537 695 D N 0.499 120.985 120.400 0.143 0.000 2.860 695 D HA -0.238 4.651 4.640 0.414 0.000 0.229 695 D C -0.376 175.975 176.300 0.084 0.000 1.169 695 D CA 1.032 55.085 54.000 0.089 0.000 0.737 695 D CB -0.763 40.083 40.800 0.076 0.000 1.080 695 D HN 0.528 nan 8.370 nan 0.000 0.424 696 E N -0.084 120.180 120.200 0.107 0.000 2.194 696 E HA 0.254 4.853 4.350 0.414 0.000 0.284 696 E C 0.104 176.739 176.600 0.057 0.000 1.035 696 E CA -0.859 55.593 56.400 0.087 0.000 0.836 696 E CB 0.738 30.508 29.700 0.117 0.000 1.070 696 E HN 0.094 nan 8.360 nan 0.000 0.401 697 I N 3.862 124.454 120.570 0.038 0.000 2.574 697 I HA -0.036 4.383 4.170 0.414 0.000 0.291 697 I C 0.393 176.525 176.117 0.026 0.000 1.131 697 I CA 0.644 61.956 61.300 0.020 0.000 1.352 697 I CB -0.067 37.937 38.000 0.006 0.000 1.431 697 I HN 0.328 nan 8.210 nan 0.000 0.543 698 T N 5.763 120.332 114.554 0.025 0.000 2.909 698 T HA 0.742 5.341 4.350 0.414 0.000 0.286 698 T C 0.065 174.776 174.700 0.018 0.000 1.002 698 T CA -0.608 61.509 62.100 0.030 0.000 1.074 698 T CB 1.337 70.224 68.868 0.031 0.000 0.984 698 T HN 0.632 nan 8.240 nan 0.000 0.495 699 A N 2.853 125.688 122.820 0.026 0.000 2.331 699 A HA 0.799 5.368 4.320 0.414 0.000 0.320 699 A C -0.643 176.958 177.584 0.028 0.000 1.138 699 A CA -0.742 51.307 52.037 0.020 0.000 0.790 699 A CB 1.136 20.148 19.000 0.020 0.000 1.206 699 A HN 0.708 nan 8.150 nan 0.000 0.470 700 M N 1.822 121.431 119.600 0.016 0.000 2.662 700 M HA 0.742 5.471 4.480 0.414 0.000 0.310 700 M C -0.176 176.134 176.300 0.017 0.000 1.204 700 M CA -0.049 55.259 55.300 0.012 0.000 0.891 700 M CB 2.138 34.732 32.600 -0.009 0.000 1.732 700 M HN 0.747 nan 8.290 nan 0.000 0.467 701 T N 1.113 115.680 114.554 0.021 0.000 2.831 701 T HA 0.960 5.559 4.350 0.414 0.000 0.287 701 T C -0.720 173.986 174.700 0.010 0.000 1.070 701 T CA 0.262 62.378 62.100 0.025 0.000 1.010 701 T CB 1.191 70.092 68.868 0.055 0.000 1.264 701 T HN 1.572 nan 8.240 nan 0.000 0.532 702 G N 1.476 110.282 108.800 0.011 0.000 2.459 702 G HA2 0.361 4.570 3.960 0.414 0.000 0.685 702 G HA3 0.361 4.570 3.960 0.414 0.000 0.685 702 G C -1.729 173.168 174.900 -0.005 0.000 1.303 702 G CA 0.064 45.164 45.100 -0.001 0.000 0.907 702 G HN 1.050 nan 8.290 nan 0.000 0.632 703 D N -0.784 119.610 120.400 -0.011 0.000 2.652 703 D HA 0.829 5.718 4.640 0.414 0.000 0.285 703 D C 0.396 176.679 176.300 -0.027 0.000 1.173 703 D CA 0.431 54.424 54.000 -0.012 0.000 0.981 703 D CB 1.386 42.185 40.800 -0.001 0.000 1.440 703 D HN 2.485 nan 8.370 nan 0.000 0.485 704 G N -1.042 107.741 108.800 -0.029 0.000 2.784 704 G HA2 0.034 4.242 3.960 0.414 0.000 0.686 704 G HA3 0.034 4.242 3.960 0.414 0.000 0.686 704 G C 0.855 175.716 174.900 -0.065 0.000 1.156 704 G CA 0.084 45.149 45.100 -0.058 0.000 0.757 704 G HN 1.297 nan 8.290 nan 0.000 0.642 705 V N -0.571 119.285 119.914 -0.096 0.000 2.380 705 V HA -0.194 4.175 4.120 0.414 0.000 0.251 705 V C 2.126 178.169 176.094 -0.087 0.000 1.063 705 V CA 2.499 64.748 62.300 -0.085 0.000 1.055 705 V CB -0.681 31.057 31.823 -0.141 0.000 0.657 705 V HN 1.518 nan 8.190 nan 0.000 0.455 706 N N -0.212 118.420 118.700 -0.114 0.000 2.466 706 N HA 0.061 5.050 4.740 0.414 0.000 0.211 706 N C 0.330 175.788 175.510 -0.086 0.000 1.256 706 N CA 1.057 54.040 53.050 -0.111 0.000 0.840 706 N CB 0.010 38.407 38.487 -0.150 0.000 1.079 706 N HN 0.674 nan 8.380 nan 0.000 0.466 707 D N -2.268 118.092 120.400 -0.067 0.000 2.523 707 D HA 0.332 5.221 4.640 0.414 0.000 0.269 707 D C 1.209 177.486 176.300 -0.039 0.000 1.374 707 D CA 0.096 54.063 54.000 -0.053 0.000 0.820 707 D CB 0.425 41.196 40.800 -0.049 0.000 1.211 707 D HN 0.238 nan 8.370 nan 0.000 0.502 708 A N 0.806 123.606 122.820 -0.035 0.000 1.935 708 A HA 0.156 4.725 4.320 0.414 0.000 0.214 708 A C -0.518 177.051 177.584 -0.025 0.000 1.178 708 A CA 0.731 52.755 52.037 -0.021 0.000 0.640 708 A CB -0.976 18.018 19.000 -0.009 0.000 0.825 708 A HN 0.122 nan 8.150 nan 0.000 0.447 709 P HA -0.166 nan 4.420 nan 0.000 0.216 709 P C 1.748 179.026 177.300 -0.037 0.000 1.153 709 P CA 2.088 65.168 63.100 -0.033 0.000 0.858 709 P CB -0.024 31.654 31.700 -0.037 0.000 0.789 710 A N -0.741 122.054 122.820 -0.042 0.000 1.897 710 A HA -0.112 4.457 4.320 0.414 0.000 0.215 710 A C 2.060 179.622 177.584 -0.036 0.000 1.181 710 A CA 1.189 53.198 52.037 -0.047 0.000 0.620 710 A CB -1.603 17.364 19.000 -0.055 0.000 0.821 710 A HN 0.116 nan 8.150 nan 0.000 0.443 711 L N -0.918 120.288 121.223 -0.028 0.000 2.549 711 L HA -0.086 4.503 4.340 0.414 0.000 0.229 711 L C 2.365 179.223 176.870 -0.019 0.000 1.158 711 L CA 1.295 56.123 54.840 -0.020 0.000 0.842 711 L CB -0.232 41.818 42.059 -0.014 0.000 0.952 711 L HN 0.445 nan 8.230 nan 0.000 0.452 712 K N 0.286 120.672 120.400 -0.023 0.000 2.276 712 K HA -0.066 4.503 4.320 0.414 0.000 0.198 712 K C 2.122 178.707 176.600 -0.025 0.000 1.052 712 K CA 0.264 56.538 56.287 -0.022 0.000 0.984 712 K CB 0.360 32.848 32.500 -0.020 0.000 0.836 712 K HN 0.030 nan 8.250 nan 0.000 0.490 713 K N 0.676 121.058 120.400 -0.031 0.000 2.167 713 K HA 0.093 4.661 4.320 0.414 0.000 0.203 713 K C 0.333 176.915 176.600 -0.030 0.000 1.052 713 K CA 0.449 56.715 56.287 -0.035 0.000 0.956 713 K CB 0.060 32.532 32.500 -0.047 0.000 0.735 713 K HN 0.148 nan 8.250 nan 0.000 0.451 714 A N 1.306 124.110 122.820 -0.027 0.000 2.448 714 A HA -0.007 4.562 4.320 0.414 0.000 0.239 714 A C 0.498 178.072 177.584 -0.016 0.000 1.080 714 A CA -0.062 51.964 52.037 -0.019 0.000 0.779 714 A CB 0.283 19.275 19.000 -0.014 0.000 1.026 714 A HN 0.326 nan 8.150 nan 0.000 0.499 715 E N -0.223 119.970 120.200 -0.012 0.000 2.268 715 E HA 0.022 4.621 4.350 0.414 0.000 0.195 715 E C -0.269 176.320 176.600 -0.017 0.000 0.995 715 E CA 1.236 57.627 56.400 -0.015 0.000 0.836 715 E CB -0.138 29.555 29.700 -0.011 0.000 0.763 715 E HN 0.548 nan 8.360 nan 0.000 0.491 716 I N -0.220 120.342 120.570 -0.013 0.000 2.642 716 I HA 0.237 4.655 4.170 0.414 0.000 0.273 716 I C 0.067 176.178 176.117 -0.010 0.000 1.208 716 I CA -0.816 60.476 61.300 -0.014 0.000 1.037 716 I CB 1.684 39.675 38.000 -0.015 0.000 1.253 716 I HN -0.114 nan 8.210 nan 0.000 0.504 717 G N 5.567 114.360 108.800 -0.011 0.000 2.442 717 G HA2 0.632 4.841 3.960 0.414 0.000 0.249 717 G HA3 0.632 4.841 3.960 0.414 0.000 0.249 717 G C -0.491 174.405 174.900 -0.006 0.000 1.263 717 G CA -0.065 45.029 45.100 -0.009 0.000 0.846 717 G HN 0.469 nan 8.290 nan 0.000 0.555 718 I N 1.251 121.821 120.570 -0.000 0.000 2.436 718 I HA 0.535 4.953 4.170 0.414 0.000 0.289 718 I C 0.275 176.396 176.117 0.006 0.000 1.010 718 I CA -0.710 60.591 61.300 0.002 0.000 1.098 718 I CB 2.172 40.176 38.000 0.007 0.000 1.266 718 I HN 0.582 nan 8.210 nan 0.000 0.434 719 A N 7.288 130.111 122.820 0.005 0.000 2.350 719 A HA 0.849 5.418 4.320 0.414 0.000 0.324 719 A C -0.225 177.365 177.584 0.011 0.000 1.118 719 A CA -0.762 51.280 52.037 0.008 0.000 0.783 719 A CB 1.237 20.241 19.000 0.007 0.000 1.236 719 A HN 0.579 nan 8.150 nan 0.000 0.457 720 M N 1.440 121.049 119.600 0.015 0.000 2.226 720 M HA 0.198 4.927 4.480 0.414 0.000 0.324 720 M C 1.574 177.882 176.300 0.014 0.000 1.112 720 M CA 0.218 55.528 55.300 0.017 0.000 1.176 720 M CB -0.251 32.361 32.600 0.020 0.000 1.430 720 M HN 0.858 nan 8.290 nan 0.000 0.462 721 G N 0.571 109.379 108.800 0.013 0.000 2.402 721 G HA2 -0.156 4.052 3.960 0.414 0.000 0.216 721 G HA3 -0.156 4.052 3.960 0.414 0.000 0.216 721 G C 1.343 176.251 174.900 0.013 0.000 1.162 721 G CA 1.019 46.125 45.100 0.011 0.000 0.777 721 G HN 0.771 nan 8.290 nan 0.000 0.539 722 S N 0.600 116.309 115.700 0.015 0.000 2.607 722 S HA 0.307 5.026 4.470 0.414 0.000 0.224 722 S C 1.477 176.087 174.600 0.016 0.000 0.969 722 S CA 0.348 58.558 58.200 0.016 0.000 0.927 722 S CB -0.239 62.971 63.200 0.017 0.000 0.772 722 S HN 0.499 nan 8.310 nan 0.000 0.533 723 G N 1.977 110.787 108.800 0.016 0.000 2.712 723 G HA2 0.373 4.582 3.960 0.414 0.000 0.258 723 G HA3 0.373 4.582 3.960 0.414 0.000 0.258 723 G C 0.240 175.155 174.900 0.023 0.000 1.241 723 G CA 0.053 45.162 45.100 0.016 0.000 0.923 723 G HN 0.533 nan 8.290 nan 0.000 0.548 724 T N -2.952 111.618 114.554 0.027 0.000 2.860 724 T HA 0.448 5.047 4.350 0.414 0.000 0.299 724 T C 1.594 176.333 174.700 0.065 0.000 1.045 724 T CA 0.372 62.504 62.100 0.053 0.000 1.071 724 T CB 1.405 70.302 68.868 0.049 0.000 0.985 724 T HN 0.905 nan 8.240 nan 0.000 0.537 725 A N 1.631 124.508 122.820 0.096 0.000 1.930 725 A HA 0.048 4.617 4.320 0.414 0.000 0.217 725 A C 2.478 180.105 177.584 0.071 0.000 1.175 725 A CA 1.624 53.699 52.037 0.064 0.000 0.627 725 A CB -1.319 17.702 19.000 0.034 0.000 0.815 725 A HN 1.051 nan 8.150 nan 0.000 0.443 726 V N -1.000 119.001 119.914 0.144 0.000 2.282 726 V HA -0.249 4.119 4.120 0.414 0.000 0.249 726 V C 2.767 178.899 176.094 0.063 0.000 1.057 726 V CA 1.951 64.330 62.300 0.132 0.000 1.032 726 V CB -1.934 30.012 31.823 0.206 0.000 0.645 726 V HN 0.531 nan 8.190 nan 0.000 0.447 727 A N 1.284 124.134 122.820 0.049 0.000 1.851 727 A HA -0.246 4.323 4.320 0.414 0.000 0.216 727 A C 2.320 179.913 177.584 0.016 0.000 1.195 727 A CA 2.518 54.568 52.037 0.022 0.000 0.622 727 A CB -0.622 18.387 19.000 0.014 0.000 0.831 727 A HN 0.641 nan 8.150 nan 0.000 0.444 728 K N -0.477 119.934 120.400 0.019 0.000 2.001 728 K HA -0.163 4.405 4.320 0.414 0.000 0.214 728 K C 2.118 178.721 176.600 0.006 0.000 1.050 728 K CA 1.994 58.288 56.287 0.011 0.000 0.934 728 K CB -0.947 31.560 32.500 0.011 0.000 0.718 728 K HN 0.701 nan 8.250 nan 0.000 0.443 729 T N -0.837 113.721 114.554 0.008 0.000 2.977 729 T HA -0.006 4.593 4.350 0.414 0.000 0.271 729 T C 1.613 176.313 174.700 0.000 0.000 1.105 729 T CA 0.968 63.068 62.100 -0.000 0.000 1.116 729 T CB -0.089 68.776 68.868 -0.005 0.000 0.878 729 T HN 0.228 nan 8.240 nan 0.000 0.509 730 A N 1.014 123.837 122.820 0.005 0.000 2.507 730 A HA 0.615 5.183 4.320 0.414 0.000 0.270 730 A C 0.914 178.496 177.584 -0.004 0.000 1.318 730 A CA -0.299 51.739 52.037 0.001 0.000 0.924 730 A CB -0.054 18.950 19.000 0.006 0.000 1.061 730 A HN 0.624 nan 8.150 nan 0.000 0.516 731 S N -1.914 113.783 115.700 -0.004 0.000 2.632 731 S HA 0.592 5.310 4.470 0.414 0.000 0.289 731 S C 0.095 174.690 174.600 -0.009 0.000 1.115 731 S CA -0.543 57.653 58.200 -0.006 0.000 0.889 731 S CB 1.466 64.664 63.200 -0.003 0.000 1.116 731 S HN 0.013 nan 8.310 nan 0.000 0.486 732 E N 0.308 120.502 120.200 -0.011 0.000 2.122 732 E HA 0.305 4.904 4.350 0.414 0.000 0.190 732 E C 0.210 176.802 176.600 -0.012 0.000 0.977 732 E CA 1.078 57.470 56.400 -0.013 0.000 0.820 732 E CB 0.078 29.768 29.700 -0.016 0.000 0.770 732 E HN 0.598 nan 8.360 nan 0.000 0.462 733 M N -0.673 118.920 119.600 -0.011 0.000 2.691 733 M HA 0.399 5.127 4.480 0.414 0.000 0.293 733 M C -1.411 174.885 176.300 -0.007 0.000 1.259 733 M CA -0.884 54.410 55.300 -0.011 0.000 0.827 733 M CB 2.855 35.445 32.600 -0.016 0.000 1.753 733 M HN -0.385 nan 8.290 nan 0.000 0.465 734 V N 3.595 123.505 119.914 -0.006 0.000 2.454 734 V HA 0.264 4.633 4.120 0.414 0.000 0.267 734 V C -0.331 175.762 176.094 -0.002 0.000 0.993 734 V CA -0.597 61.702 62.300 -0.002 0.000 0.836 734 V CB 1.070 32.892 31.823 -0.000 0.000 1.055 734 V HN 0.675 nan 8.190 nan 0.000 0.452 735 L N 3.353 124.575 121.223 -0.001 0.000 2.791 735 L HA 0.029 4.618 4.340 0.414 0.000 0.276 735 L C 1.916 178.788 176.870 0.005 0.000 1.136 735 L CA 0.407 55.246 54.840 -0.001 0.000 1.008 735 L CB -0.119 41.943 42.059 0.005 0.000 1.348 735 L HN 0.712 nan 8.230 nan 0.000 0.476 736 A N 3.606 126.427 122.820 0.002 0.000 1.940 736 A HA -0.196 4.373 4.320 0.414 0.000 0.219 736 A C 1.788 179.377 177.584 0.008 0.000 1.176 736 A CA 1.775 53.814 52.037 0.004 0.000 0.631 736 A CB -0.269 18.732 19.000 0.002 0.000 0.814 736 A HN 0.882 nan 8.150 nan 0.000 0.446 737 D N -1.543 118.862 120.400 0.009 0.000 2.339 737 D HA 0.074 4.963 4.640 0.414 0.000 0.217 737 D C -0.299 176.015 176.300 0.024 0.000 1.050 737 D CA 0.745 54.754 54.000 0.014 0.000 0.856 737 D CB -0.616 40.191 40.800 0.012 0.000 0.922 737 D HN 0.414 nan 8.370 nan 0.000 0.518 738 D N -0.190 120.224 120.400 0.025 0.000 3.059 738 D HA -0.260 4.629 4.640 0.414 0.000 0.222 738 D C -0.242 176.092 176.300 0.057 0.000 1.185 738 D CA 1.088 55.110 54.000 0.037 0.000 0.904 738 D CB -2.148 38.672 40.800 0.034 0.000 1.122 738 D HN 0.571 nan 8.370 nan 0.000 0.410 739 N N -0.454 118.278 118.700 0.054 0.000 2.437 739 N HA 0.239 5.228 4.740 0.414 0.000 0.243 739 N C 1.092 176.669 175.510 0.112 0.000 1.041 739 N CA -0.587 52.513 53.050 0.084 0.000 0.940 739 N CB 0.282 38.803 38.487 0.058 0.000 1.133 739 N HN 0.033 nan 8.380 nan 0.000 0.506 740 F N 3.989 123.940 119.950 0.001 0.000 2.053 740 F HA -0.412 4.365 4.527 0.415 0.000 0.295 740 F C 2.099 177.900 175.800 0.000 0.000 1.102 740 F CA 2.240 60.240 58.000 0.001 0.000 1.225 740 F CB -0.641 38.359 39.000 0.000 0.000 0.961 740 F HN 0.486 nan 8.300 nan 0.000 0.495 741 S N -0.785 114.907 115.700 -0.014 0.000 2.399 741 S HA -0.387 4.332 4.470 0.414 0.000 0.235 741 S C 2.031 176.500 174.600 -0.219 0.000 1.063 741 S CA 2.025 60.134 58.200 -0.151 0.000 1.070 741 S CB -1.295 61.919 63.200 0.024 0.000 0.904 741 S HN 0.718 nan 8.310 nan 0.000 0.456 742 T N 1.464 115.939 114.554 -0.131 0.000 2.822 742 T HA -0.085 4.513 4.350 0.414 0.000 0.270 742 T C 1.491 176.098 174.700 -0.155 0.000 1.064 742 T CA 1.192 63.229 62.100 -0.105 0.000 1.131 742 T CB -0.556 68.279 68.868 -0.056 0.000 0.858 742 T HN 0.393 nan 8.240 nan 0.000 0.483 743 I N 0.143 120.554 120.570 -0.266 0.000 2.141 743 I HA -0.110 4.308 4.170 0.414 0.000 0.236 743 I C 2.514 178.474 176.117 -0.261 0.000 1.071 743 I CA 0.899 62.039 61.300 -0.267 0.000 1.345 743 I CB -0.564 37.218 38.000 -0.365 0.000 1.066 743 I HN 0.081 nan 8.210 nan 0.000 0.406 744 V N 1.454 121.136 119.914 -0.387 0.000 2.278 744 V HA -0.376 3.993 4.120 0.414 0.000 0.251 744 V C 2.778 178.788 176.094 -0.140 0.000 1.062 744 V CA 2.150 64.303 62.300 -0.245 0.000 1.038 744 V CB -1.299 30.381 31.823 -0.239 0.000 0.646 744 V HN 0.541 nan 8.190 nan 0.000 0.447 745 A N 0.075 122.814 122.820 -0.134 0.000 1.884 745 A HA -0.252 4.317 4.320 0.414 0.000 0.219 745 A C 2.446 179.992 177.584 -0.062 0.000 1.197 745 A CA 2.895 54.885 52.037 -0.078 0.000 0.637 745 A CB -1.036 17.924 19.000 -0.068 0.000 0.827 745 A HN 0.641 nan 8.150 nan 0.000 0.450 746 A N -0.841 121.936 122.820 -0.071 0.000 1.855 746 A HA 0.026 4.595 4.320 0.414 0.000 0.215 746 A C 2.211 179.769 177.584 -0.043 0.000 1.191 746 A CA 1.780 53.787 52.037 -0.050 0.000 0.613 746 A CB -1.171 17.797 19.000 -0.052 0.000 0.829 746 A HN 0.533 nan 8.150 nan 0.000 0.442 747 V N 0.249 120.127 119.914 -0.059 0.000 2.313 747 V HA -0.370 3.999 4.120 0.414 0.000 0.253 747 V C 2.509 178.589 176.094 -0.023 0.000 1.070 747 V CA 2.634 64.909 62.300 -0.042 0.000 1.057 747 V CB -0.840 30.951 31.823 -0.054 0.000 0.653 747 V HN 0.751 nan 8.190 nan 0.000 0.450 748 E N -0.079 120.104 120.200 -0.028 0.000 2.017 748 E HA -0.293 4.306 4.350 0.414 0.000 0.193 748 E C 2.247 178.844 176.600 -0.004 0.000 0.997 748 E CA 1.444 57.836 56.400 -0.014 0.000 0.804 748 E CB -0.154 29.535 29.700 -0.018 0.000 0.757 748 E HN 0.604 nan 8.360 nan 0.000 0.448 749 E N -0.193 120.002 120.200 -0.008 0.000 2.233 749 E HA -0.180 4.419 4.350 0.414 0.000 0.199 749 E C 1.696 178.304 176.600 0.012 0.000 1.004 749 E CA 1.599 57.999 56.400 0.000 0.000 0.819 749 E CB -0.589 29.108 29.700 -0.005 0.000 0.738 749 E HN 0.377 nan 8.360 nan 0.000 0.478 750 G N -0.009 108.797 108.800 0.011 0.000 2.402 750 G HA2 -0.256 3.953 3.960 0.414 0.000 0.216 750 G HA3 -0.256 3.953 3.960 0.414 0.000 0.216 750 G C 1.567 176.501 174.900 0.057 0.000 1.162 750 G CA 0.685 45.801 45.100 0.027 0.000 0.777 750 G HN 0.213 nan 8.290 nan 0.000 0.539 751 R N 0.618 121.145 120.500 0.045 0.000 2.083 751 R HA -0.028 4.560 4.340 0.414 0.000 0.237 751 R C 3.014 179.335 176.300 0.035 0.000 1.137 751 R CA 1.260 57.394 56.100 0.057 0.000 0.951 751 R CB -0.454 29.864 30.300 0.030 0.000 0.851 751 R HN 0.340 nan 8.270 nan 0.000 0.434 752 A N 1.400 124.231 122.820 0.018 0.000 1.908 752 A HA -0.153 4.416 4.320 0.414 0.000 0.218 752 A C 2.101 179.691 177.584 0.009 0.000 1.181 752 A CA 1.232 53.271 52.037 0.004 0.000 0.627 752 A CB -0.355 18.650 19.000 0.008 0.000 0.818 752 A HN 0.098 nan 8.150 nan 0.000 0.445 753 I N -1.652 118.940 120.570 0.037 0.000 2.202 753 I HA -0.179 4.240 4.170 0.414 0.000 0.242 753 I C 2.387 178.551 176.117 0.078 0.000 1.091 753 I CA 1.381 62.714 61.300 0.056 0.000 1.368 753 I CB -1.503 36.536 38.000 0.065 0.000 1.058 753 I HN 0.560 nan 8.210 nan 0.000 0.410 754 Y N 2.478 122.749 120.300 -0.049 0.000 2.497 754 Y HA -0.133 4.665 4.550 0.413 0.000 0.292 754 Y C 2.257 178.092 175.900 -0.107 0.000 1.137 754 Y CA 0.961 59.011 58.100 -0.083 0.000 1.285 754 Y CB -0.502 37.917 38.460 -0.069 0.000 0.991 754 Y HN 0.209 nan 8.280 nan 0.000 0.556 755 N N 0.429 118.980 118.700 -0.249 0.000 2.109 755 N HA -0.170 4.818 4.740 0.414 0.000 0.188 755 N C 1.396 176.743 175.510 -0.270 0.000 1.034 755 N CA 1.359 54.212 53.050 -0.329 0.000 0.846 755 N CB -0.492 37.889 38.487 -0.177 0.000 1.010 755 N HN 0.385 nan 8.380 nan 0.000 0.425 756 N N 0.896 119.506 118.700 -0.150 0.000 2.289 756 N HA -0.061 4.928 4.740 0.414 0.000 0.184 756 N C 1.777 177.182 175.510 -0.175 0.000 1.016 756 N CA 0.632 53.619 53.050 -0.105 0.000 0.872 756 N CB -0.116 38.358 38.487 -0.022 0.000 0.973 756 N HN 0.366 nan 8.380 nan 0.000 0.433 757 M N 0.829 120.260 119.600 -0.281 0.000 2.064 757 M HA -0.111 4.618 4.480 0.414 0.000 0.260 757 M C 2.124 177.877 176.300 -0.911 0.000 1.073 757 M CA 1.223 56.055 55.300 -0.779 0.000 1.124 757 M CB -0.348 32.048 32.600 -0.341 0.000 1.326 757 M HN -0.013 nan 8.290 nan 0.000 0.410 758 K N 0.046 120.112 120.400 -0.557 0.000 2.304 758 K HA -0.286 4.283 4.320 0.414 0.000 0.204 758 K C 1.891 178.263 176.600 -0.379 0.000 1.044 758 K CA 1.622 57.622 56.287 -0.478 0.000 0.932 758 K CB 0.101 32.227 32.500 -0.623 0.000 0.735 758 K HN 0.189 nan 8.250 nan 0.000 0.468 759 Q N -0.045 119.549 119.800 -0.344 0.000 1.990 759 Q HA -0.065 4.524 4.340 0.414 0.000 0.195 759 Q C 1.857 177.802 176.000 -0.092 0.000 0.977 759 Q CA 1.749 57.449 55.803 -0.173 0.000 0.828 759 Q CB -0.543 28.133 28.738 -0.104 0.000 0.896 759 Q HN 0.434 nan 8.270 nan 0.000 0.447 760 F N -0.365 119.561 119.950 -0.040 0.000 2.287 760 F HA -0.088 4.694 4.527 0.424 0.000 0.301 760 F C 1.522 177.319 175.800 -0.005 0.000 1.069 760 F CA 0.869 58.891 58.000 0.038 0.000 1.372 760 F CB -0.821 38.172 39.000 -0.012 0.000 1.056 760 F HN 0.085 nan 8.300 nan 0.000 0.523 761 I N 0.480 120.875 120.570 -0.291 0.000 2.439 761 I HA -0.155 4.264 4.170 0.414 0.000 0.251 761 I C 2.560 178.548 176.117 -0.215 0.000 1.139 761 I CA 0.931 62.105 61.300 -0.209 0.000 1.438 761 I CB -0.417 37.356 38.000 -0.379 0.000 1.085 761 I HN 0.092 nan 8.210 nan 0.000 0.427 762 R N -0.125 120.233 120.500 -0.236 0.000 2.075 762 R HA -0.155 4.433 4.340 0.414 0.000 0.226 762 R C 2.412 178.553 176.300 -0.265 0.000 1.114 762 R CA 1.296 57.173 56.100 -0.370 0.000 0.972 762 R CB -0.732 29.364 30.300 -0.340 0.000 0.869 762 R HN 0.314 nan 8.270 nan 0.000 0.437 763 Y N 1.777 121.987 120.300 -0.150 0.000 2.207 763 Y HA -0.205 4.591 4.550 0.410 0.000 0.287 763 Y C 1.811 177.668 175.900 -0.071 0.000 1.156 763 Y CA 1.167 59.236 58.100 -0.052 0.000 1.182 763 Y CB -0.228 38.237 38.460 0.008 0.000 0.979 763 Y HN -0.099 nan 8.280 nan 0.000 0.521 764 L N 0.751 121.827 121.223 -0.245 0.000 2.034 764 L HA -0.103 4.486 4.340 0.414 0.000 0.203 764 L C 2.582 179.289 176.870 -0.271 0.000 1.074 764 L CA 1.931 56.557 54.840 -0.357 0.000 0.748 764 L CB -1.157 40.803 42.059 -0.164 0.000 0.905 764 L HN 0.500 nan 8.230 nan 0.000 0.439 765 I N -2.611 117.810 120.570 -0.249 0.000 2.916 765 I HA -0.152 4.267 4.170 0.414 0.000 0.267 765 I C 2.385 178.367 176.117 -0.225 0.000 1.263 765 I CA 1.277 62.446 61.300 -0.218 0.000 1.471 765 I CB -0.410 37.390 38.000 -0.334 0.000 1.089 765 I HN 0.337 nan 8.210 nan 0.000 0.468 766 S N 2.080 117.617 115.700 -0.271 0.000 2.345 766 S HA -0.221 4.498 4.470 0.414 0.000 0.220 766 S C 2.314 176.850 174.600 -0.107 0.000 1.031 766 S CA 1.633 59.722 58.200 -0.184 0.000 0.996 766 S CB -0.884 62.273 63.200 -0.071 0.000 0.882 766 S HN 0.758 nan 8.310 nan 0.000 0.445 767 S N 2.504 118.114 115.700 -0.151 0.000 2.370 767 S HA -0.195 4.524 4.470 0.414 0.000 0.226 767 S C 1.715 176.256 174.600 -0.098 0.000 1.033 767 S CA 1.653 59.777 58.200 -0.126 0.000 1.011 767 S CB -1.332 61.745 63.200 -0.206 0.000 0.852 767 S HN 0.674 nan 8.310 nan 0.000 0.457 768 N N 1.636 120.273 118.700 -0.106 0.000 2.036 768 N HA -0.077 4.911 4.740 0.414 0.000 0.195 768 N C 1.739 177.217 175.510 -0.054 0.000 1.037 768 N CA 1.626 54.637 53.050 -0.064 0.000 0.855 768 N CB -0.893 37.575 38.487 -0.031 0.000 1.033 768 N HN 0.293 nan 8.380 nan 0.000 0.423 769 V N 0.647 120.520 119.914 -0.068 0.000 2.220 769 V HA -0.282 4.087 4.120 0.414 0.000 0.250 769 V C 2.421 178.482 176.094 -0.055 0.000 1.056 769 V CA 2.296 64.553 62.300 -0.071 0.000 1.016 769 V CB -1.498 30.262 31.823 -0.105 0.000 0.639 769 V HN 0.502 nan 8.190 nan 0.000 0.446 770 G N -1.047 107.725 108.800 -0.047 0.000 2.529 770 G HA2 -0.319 3.890 3.960 0.414 0.000 0.219 770 G HA3 -0.319 3.890 3.960 0.414 0.000 0.219 770 G C 1.425 176.305 174.900 -0.032 0.000 1.177 770 G CA 1.217 46.296 45.100 -0.035 0.000 0.773 770 G HN 0.591 nan 8.290 nan 0.000 0.573 771 E N -0.429 119.749 120.200 -0.036 0.000 2.086 771 E HA -0.180 4.419 4.350 0.414 0.000 0.205 771 E C 2.735 179.326 176.600 -0.014 0.000 1.027 771 E CA 1.464 57.847 56.400 -0.027 0.000 0.830 771 E CB -0.324 29.357 29.700 -0.031 0.000 0.751 771 E HN 0.256 nan 8.360 nan 0.000 0.456 772 V N 0.573 120.476 119.914 -0.018 0.000 2.231 772 V HA -0.307 4.062 4.120 0.414 0.000 0.248 772 V C 2.369 178.485 176.094 0.036 0.000 1.054 772 V CA 1.809 64.105 62.300 -0.007 0.000 1.015 772 V CB -0.486 31.313 31.823 -0.040 0.000 0.638 772 V HN 0.176 nan 8.190 nan 0.000 0.444 773 V N -0.578 119.350 119.914 0.023 0.000 2.250 773 V HA -0.419 3.950 4.120 0.414 0.000 0.253 773 V C 2.601 178.751 176.094 0.093 0.000 1.065 773 V CA 2.547 64.892 62.300 0.075 0.000 1.039 773 V CB -1.065 30.773 31.823 0.025 0.000 0.647 773 V HN 0.853 nan 8.190 nan 0.000 0.446 774 C N 0.372 119.688 119.300 0.027 0.000 2.393 774 C HA -0.193 4.516 4.460 0.414 0.000 0.276 774 C C 2.458 177.457 174.990 0.014 0.000 1.215 774 C CA 1.268 60.286 59.018 0.000 0.000 1.743 774 C CB -1.139 26.588 27.740 -0.021 0.000 2.044 774 C HN 0.557 nan 8.230 nan 0.000 0.464 775 I N 0.288 120.878 120.570 0.033 0.000 3.176 775 I HA 0.001 4.420 4.170 0.414 0.000 0.275 775 I C 1.949 178.115 176.117 0.083 0.000 1.298 775 I CA 1.226 62.543 61.300 0.028 0.000 1.445 775 I CB -1.557 36.454 38.000 0.019 0.000 1.075 775 I HN 0.407 nan 8.210 nan 0.000 0.482 776 F N 0.816 120.732 119.950 -0.056 0.000 2.582 776 F HA 0.127 4.902 4.527 0.413 0.000 0.290 776 F C 2.032 177.806 175.800 -0.044 0.000 1.115 776 F CA 0.691 58.660 58.000 -0.052 0.000 1.445 776 F CB 0.060 39.034 39.000 -0.043 0.000 1.126 776 F HN -0.132 nan 8.300 nan 0.000 0.574 777 L N -0.779 120.375 121.223 -0.116 0.000 1.993 777 L HA -0.162 4.426 4.340 0.414 0.000 0.206 777 L C 2.512 179.268 176.870 -0.190 0.000 1.074 777 L CA 1.781 56.503 54.840 -0.197 0.000 0.746 777 L CB -1.250 40.756 42.059 -0.090 0.000 0.896 777 L HN 0.082 nan 8.230 nan 0.000 0.435 778 T N -0.366 114.123 114.554 -0.108 0.000 2.792 778 T HA -0.283 4.315 4.350 0.414 0.000 0.268 778 T C 1.596 176.270 174.700 -0.043 0.000 1.059 778 T CA 1.635 63.695 62.100 -0.066 0.000 1.136 778 T CB -0.042 68.802 68.868 -0.039 0.000 0.846 778 T HN 0.456 nan 8.240 nan 0.000 0.489 779 A N -0.333 122.402 122.820 -0.142 0.000 2.021 779 A HA 0.560 5.129 4.320 0.414 0.000 0.216 779 A C 2.547 180.011 177.584 -0.201 0.000 1.163 779 A CA 1.338 53.285 52.037 -0.150 0.000 0.676 779 A CB -0.698 18.172 19.000 -0.217 0.000 0.818 779 A HN 0.633 nan 8.150 nan 0.000 0.453 780 A N -0.408 122.214 122.820 -0.331 0.000 1.911 780 A HA 0.299 4.868 4.320 0.414 0.000 0.212 780 A C 1.529 179.020 177.584 -0.156 0.000 1.189 780 A CA 0.613 52.477 52.037 -0.289 0.000 0.639 780 A CB -0.297 18.457 19.000 -0.408 0.000 0.839 780 A HN 0.365 nan 8.150 nan 0.000 0.449 781 L N 0.482 121.620 121.223 -0.141 0.000 2.715 781 L HA 0.186 4.775 4.340 0.414 0.000 0.238 781 L C 1.606 178.435 176.870 -0.067 0.000 1.212 781 L CA 0.189 54.967 54.840 -0.103 0.000 1.017 781 L CB -0.740 41.250 42.059 -0.114 0.000 1.269 781 L HN 0.519 nan 8.230 nan 0.000 0.452 782 G N 0.879 109.666 108.800 -0.022 0.000 2.424 782 G HA2 -0.317 3.891 3.960 0.414 0.000 0.323 782 G HA3 -0.317 3.891 3.960 0.414 0.000 0.323 782 G C 0.661 175.566 174.900 0.009 0.000 0.949 782 G CA 0.475 45.585 45.100 0.017 0.000 0.769 782 G HN 0.410 nan 8.290 nan 0.000 0.512 783 L N -0.168 121.036 121.223 -0.032 0.000 2.482 783 L HA 0.225 4.814 4.340 0.414 0.000 0.273 783 L C -1.526 175.324 176.870 -0.034 0.000 1.228 783 L CA -1.848 52.919 54.840 -0.122 0.000 0.827 783 L CB -0.008 41.931 42.059 -0.199 0.000 1.099 783 L HN -0.092 nan 8.230 nan 0.000 0.494 784 P HA -0.003 nan 4.420 nan 0.000 0.267 784 P C -0.943 176.367 177.300 0.018 0.000 1.200 784 P CA -0.291 62.822 63.100 0.022 0.000 0.772 784 P CB 0.273 31.942 31.700 -0.050 0.000 0.855 785 E N 1.917 122.174 120.200 0.094 0.000 2.415 785 E HA 0.105 4.704 4.350 0.414 0.000 0.260 785 E C 0.672 177.283 176.600 0.019 0.000 1.016 785 E CA -0.272 56.151 56.400 0.039 0.000 0.924 785 E CB 0.300 30.019 29.700 0.032 0.000 0.961 785 E HN 0.382 nan 8.360 nan 0.000 0.459 786 A N 4.853 127.667 122.820 -0.011 0.000 1.969 786 A HA -0.004 4.564 4.320 0.414 0.000 0.218 786 A C 0.878 178.469 177.584 0.011 0.000 1.169 786 A CA 0.734 52.766 52.037 -0.009 0.000 0.635 786 A CB -0.076 18.907 19.000 -0.028 0.000 0.810 786 A HN 0.595 nan 8.150 nan 0.000 0.445 787 L N -0.151 121.080 121.223 0.014 0.000 2.381 787 L HA 0.569 5.158 4.340 0.414 0.000 0.268 787 L C -0.920 175.974 176.870 0.041 0.000 0.997 787 L CA -0.775 54.083 54.840 0.030 0.000 0.818 787 L CB 2.101 44.173 42.059 0.021 0.000 1.310 787 L HN 0.225 nan 8.230 nan 0.000 0.416 788 I N 0.328 120.936 120.570 0.064 0.000 2.648 788 I HA 0.419 4.837 4.170 0.414 0.000 0.304 788 I C -1.566 174.601 176.117 0.084 0.000 1.009 788 I CA -2.065 59.278 61.300 0.072 0.000 1.114 788 I CB 1.568 39.621 38.000 0.087 0.000 1.293 788 I HN 0.394 nan 8.210 nan 0.000 0.449 789 P HA -0.198 nan 4.420 nan 0.000 0.216 789 P C 1.633 179.003 177.300 0.117 0.000 1.154 789 P CA 1.475 64.622 63.100 0.077 0.000 0.865 789 P CB 0.095 31.834 31.700 0.064 0.000 0.789 790 V N 1.038 121.034 119.914 0.135 0.000 2.231 790 V HA -0.311 4.058 4.120 0.414 0.000 0.248 790 V C 2.928 179.209 176.094 0.312 0.000 1.054 790 V CA 2.532 64.947 62.300 0.192 0.000 1.015 790 V CB -1.896 30.013 31.823 0.143 0.000 0.638 790 V HN 0.170 nan 8.190 nan 0.000 0.444 791 Q N 0.076 120.051 119.800 0.293 0.000 1.967 791 Q HA -0.158 4.431 4.340 0.414 0.000 0.202 791 Q C 2.353 178.493 176.000 0.234 0.000 0.985 791 Q CA 1.831 57.812 55.803 0.296 0.000 0.839 791 Q CB -0.538 28.317 28.738 0.195 0.000 0.906 791 Q HN 0.496 nan 8.270 nan 0.000 0.423 792 L N 0.479 121.792 121.223 0.150 0.000 2.085 792 L HA -0.285 4.304 4.340 0.414 0.000 0.218 792 L C 2.470 179.401 176.870 0.103 0.000 1.080 792 L CA 0.912 55.809 54.840 0.095 0.000 0.776 792 L CB -0.683 41.412 42.059 0.060 0.000 0.891 792 L HN 0.346 nan 8.230 nan 0.000 0.437 793 L N -1.044 120.266 121.223 0.144 0.000 1.955 793 L HA -0.279 4.309 4.340 0.414 0.000 0.213 793 L C 2.326 179.293 176.870 0.161 0.000 1.072 793 L CA 2.272 57.195 54.840 0.137 0.000 0.755 793 L CB -1.357 40.804 42.059 0.170 0.000 0.888 793 L HN 0.460 nan 8.230 nan 0.000 0.432 794 W N 0.042 121.396 121.300 0.090 0.000 2.321 794 W HA -0.232 4.473 4.660 0.076 0.000 0.285 794 W C 2.268 178.781 176.519 -0.008 0.000 1.213 794 W CA 1.840 59.212 57.345 0.045 0.000 1.205 794 W CB -0.413 29.022 29.460 -0.042 0.000 1.134 794 W HN -0.058 nan 8.180 nan 0.000 0.549 795 V N 1.276 121.233 119.914 0.071 0.000 2.227 795 V HA -0.367 4.002 4.120 0.414 0.000 0.238 795 V C 2.070 178.075 176.094 -0.149 0.000 1.039 795 V CA 2.320 64.589 62.300 -0.052 0.000 0.990 795 V CB -1.330 30.496 31.823 0.005 0.000 0.635 795 V HN 0.134 nan 8.190 nan 0.000 0.453 796 N N 0.259 118.898 118.700 -0.102 0.000 2.651 796 N HA -0.123 4.866 4.740 0.414 0.000 0.193 796 N C 1.226 176.651 175.510 -0.143 0.000 1.149 796 N CA 0.922 53.895 53.050 -0.129 0.000 0.933 796 N CB -0.151 38.282 38.487 -0.091 0.000 0.974 796 N HN 0.342 nan 8.380 nan 0.000 0.448 797 L N -0.820 120.302 121.223 -0.169 0.000 2.467 797 L HA 0.166 4.755 4.340 0.414 0.000 0.213 797 L C 1.742 178.447 176.870 -0.276 0.000 1.053 797 L CA 0.461 55.193 54.840 -0.179 0.000 0.847 797 L CB 0.382 42.369 42.059 -0.120 0.000 1.075 797 L HN -0.148 nan 8.230 nan 0.000 0.479 798 V N -2.316 117.318 119.914 -0.466 0.000 3.097 798 V HA -0.032 4.337 4.120 0.414 0.000 0.223 798 V C 2.335 178.136 176.094 -0.488 0.000 1.199 798 V CA 1.124 63.075 62.300 -0.583 0.000 1.260 798 V CB -0.496 30.661 31.823 -1.109 0.000 1.155 798 V HN 0.402 nan 8.190 nan 0.000 0.509 799 T N -0.435 113.753 114.554 -0.610 0.000 2.649 799 T HA -0.320 4.279 4.350 0.414 0.000 0.268 799 T C 1.375 175.984 174.700 -0.151 0.000 1.036 799 T CA 2.466 64.376 62.100 -0.317 0.000 1.157 799 T CB -0.587 68.157 68.868 -0.206 0.000 0.861 799 T HN 0.406 nan 8.240 nan 0.000 0.445 800 D N 1.132 121.439 120.400 -0.155 0.000 2.249 800 D HA 0.188 5.077 4.640 0.414 0.000 0.205 800 D C 2.431 178.700 176.300 -0.051 0.000 0.962 800 D CA 0.955 54.903 54.000 -0.086 0.000 0.860 800 D CB -1.016 39.641 40.800 -0.238 0.000 0.955 800 D HN 0.558 nan 8.370 nan 0.000 0.505 801 G N 1.939 110.657 108.800 -0.136 0.000 2.586 801 G HA2 -0.253 3.955 3.960 0.414 0.000 0.218 801 G HA3 -0.253 3.955 3.960 0.414 0.000 0.218 801 G C 1.521 176.362 174.900 -0.098 0.000 1.216 801 G CA 0.582 45.600 45.100 -0.137 0.000 0.786 801 G HN 0.157 nan 8.290 nan 0.000 0.583 802 L N 1.529 122.706 121.223 -0.077 0.000 1.971 802 L HA -0.089 4.499 4.340 0.414 0.000 0.215 802 L C 0.527 177.388 176.870 -0.016 0.000 1.072 802 L CA 2.204 57.022 54.840 -0.036 0.000 0.758 802 L CB -2.371 39.680 42.059 -0.013 0.000 0.889 802 L HN 0.196 nan 8.230 nan 0.000 0.433 803 P HA -0.128 nan 4.420 nan 0.000 0.218 803 P C 1.630 178.914 177.300 -0.028 0.000 1.148 803 P CA 1.773 64.868 63.100 -0.009 0.000 0.822 803 P CB 0.016 31.722 31.700 0.010 0.000 0.784 804 A N -0.931 121.950 122.820 0.101 0.000 1.858 804 A HA -0.192 4.377 4.320 0.414 0.000 0.216 804 A C 2.278 179.668 177.584 -0.324 0.000 1.190 804 A CA 2.489 54.531 52.037 0.009 0.000 0.617 804 A CB -1.858 17.082 19.000 -0.100 0.000 0.827 804 A HN 0.131 nan 8.150 nan 0.000 0.443 805 T N 0.336 114.676 114.554 -0.357 0.000 2.684 805 T HA -0.068 4.531 4.350 0.414 0.000 0.267 805 T C 2.211 176.483 174.700 -0.712 0.000 1.036 805 T CA 1.817 63.617 62.100 -0.499 0.000 1.148 805 T CB -0.509 68.196 68.868 -0.271 0.000 0.863 805 T HN 0.607 nan 8.240 nan 0.000 0.436 806 A N 1.202 123.824 122.820 -0.330 0.000 1.933 806 A HA 0.055 4.623 4.320 0.414 0.000 0.218 806 A C 2.147 179.576 177.584 -0.258 0.000 1.175 806 A CA 1.058 53.004 52.037 -0.152 0.000 0.628 806 A CB -0.863 18.233 19.000 0.159 0.000 0.814 806 A HN 0.501 nan 8.150 nan 0.000 0.444 807 L N -0.377 120.721 121.223 -0.208 0.000 2.642 807 L HA -0.106 4.483 4.340 0.414 0.000 0.236 807 L C 2.249 179.067 176.870 -0.088 0.000 1.169 807 L CA 0.510 55.280 54.840 -0.116 0.000 0.851 807 L CB -0.408 41.609 42.059 -0.070 0.000 0.968 807 L HN 0.543 nan 8.230 nan 0.000 0.453 808 G N -1.066 107.541 108.800 -0.321 0.000 2.545 808 G HA2 -0.124 4.085 3.960 0.414 0.000 0.212 808 G HA3 -0.124 4.085 3.960 0.414 0.000 0.212 808 G C 0.916 175.704 174.900 -0.186 0.000 1.144 808 G CA -0.165 44.803 45.100 -0.219 0.000 0.813 808 G HN 0.216 nan 8.290 nan 0.000 0.531 809 F N 1.675 121.572 119.950 -0.088 0.000 2.816 809 F HA 0.231 5.005 4.527 0.410 0.000 0.302 809 F C 0.566 176.319 175.800 -0.078 0.000 1.178 809 F CA -1.442 56.457 58.000 -0.168 0.000 1.421 809 F CB -1.262 37.512 39.000 -0.377 0.000 1.114 809 F HN -0.092 nan 8.300 nan 0.000 0.573 810 N N 3.639 122.385 118.700 0.078 0.000 2.365 810 N HA -0.027 4.962 4.740 0.414 0.000 0.265 810 N C -2.352 173.189 175.510 0.051 0.000 1.288 810 N CA -0.850 52.232 53.050 0.053 0.000 0.869 810 N CB -0.152 38.336 38.487 0.001 0.000 1.071 810 N HN 0.012 nan 8.380 nan 0.000 0.480 811 P HA -0.030 nan 4.420 nan 0.000 0.261 811 P C -2.428 174.887 177.300 0.024 0.000 1.173 811 P CA -0.676 62.452 63.100 0.048 0.000 0.760 811 P CB -0.268 31.465 31.700 0.055 0.000 0.783 812 P HA -0.016 nan 4.420 nan 0.000 0.259 812 P C -0.036 177.266 177.300 0.004 0.000 1.211 812 P CA 0.338 63.443 63.100 0.007 0.000 0.810 812 P CB -0.091 31.614 31.700 0.009 0.000 0.815 813 D N 3.587 123.984 120.400 -0.006 0.000 2.525 813 D HA -0.041 4.848 4.640 0.414 0.000 0.235 813 D C 0.112 176.411 176.300 -0.002 0.000 1.137 813 D CA 0.091 54.087 54.000 -0.007 0.000 0.868 813 D CB 0.457 41.245 40.800 -0.021 0.000 1.180 813 D HN 0.231 nan 8.370 nan 0.000 0.465 814 L N 2.709 123.934 121.223 0.004 0.000 2.482 814 L HA 0.147 4.736 4.340 0.414 0.000 0.242 814 L C 0.442 177.314 176.870 0.004 0.000 1.210 814 L CA -0.262 54.581 54.840 0.006 0.000 0.819 814 L CB 0.320 42.386 42.059 0.010 0.000 1.203 814 L HN 0.695 nan 8.230 nan 0.000 0.495 815 D N 0.061 120.464 120.400 0.005 0.000 2.870 815 D HA -0.237 4.651 4.640 0.414 0.000 0.228 815 D C 0.832 177.133 176.300 0.002 0.000 1.147 815 D CA 0.415 54.418 54.000 0.005 0.000 0.757 815 D CB -0.446 40.357 40.800 0.006 0.000 1.091 815 D HN 0.268 nan 8.370 nan 0.000 0.429 816 I N -0.308 120.263 120.570 0.001 0.000 2.333 816 I HA -0.092 4.326 4.170 0.414 0.000 0.246 816 I C 1.701 177.820 176.117 0.003 0.000 1.106 816 I CA 1.257 62.556 61.300 -0.000 0.000 1.411 816 I CB -0.141 37.858 38.000 -0.001 0.000 1.082 816 I HN 0.145 nan 8.210 nan 0.000 0.420 817 M N -0.494 119.109 119.600 0.004 0.000 2.431 817 M HA 0.070 4.799 4.480 0.414 0.000 0.237 817 M C 0.330 176.635 176.300 0.008 0.000 1.130 817 M CA 0.469 55.773 55.300 0.006 0.000 1.002 817 M CB -0.986 31.617 32.600 0.005 0.000 1.524 817 M HN 0.024 nan 8.290 nan 0.000 0.482 818 D N 0.706 121.111 120.400 0.008 0.000 2.342 818 D HA 0.138 5.027 4.640 0.414 0.000 0.221 818 D C 0.062 176.367 176.300 0.008 0.000 1.101 818 D CA 0.230 54.235 54.000 0.008 0.000 0.837 818 D CB 0.581 41.385 40.800 0.008 0.000 0.938 818 D HN 0.214 nan 8.370 nan 0.000 0.508 819 R N 0.699 121.204 120.500 0.009 0.000 2.807 819 R HA 0.452 5.040 4.340 0.414 0.000 0.276 819 R C -2.491 173.817 176.300 0.013 0.000 0.979 819 R CA -1.873 54.233 56.100 0.010 0.000 0.928 819 R CB 1.454 31.759 30.300 0.008 0.000 1.191 819 R HN -0.070 nan 8.270 nan 0.000 0.471 820 P HA 0.115 nan 4.420 nan 0.000 0.271 820 P C -2.505 174.808 177.300 0.021 0.000 1.244 820 P CA -1.154 61.956 63.100 0.017 0.000 0.793 820 P CB -0.231 31.478 31.700 0.015 0.000 0.984 821 P HA 0.171 nan 4.420 nan 0.000 0.271 821 P C 0.141 177.464 177.300 0.038 0.000 1.216 821 P CA -0.007 63.111 63.100 0.031 0.000 0.776 821 P CB 0.280 31.996 31.700 0.028 0.000 0.881 822 R N 1.721 122.254 120.500 0.055 0.000 2.502 822 R HA 0.051 4.640 4.340 0.414 0.000 0.292 822 R C 0.595 176.929 176.300 0.058 0.000 0.998 822 R CA 0.397 56.542 56.100 0.075 0.000 1.056 822 R CB -0.290 30.097 30.300 0.146 0.000 0.939 822 R HN 0.430 nan 8.270 nan 0.000 0.411 823 S N 4.228 119.958 115.700 0.051 0.000 2.533 823 S HA 0.117 4.836 4.470 0.414 0.000 0.282 823 S C -1.318 173.303 174.600 0.034 0.000 1.304 823 S CA -1.324 56.900 58.200 0.039 0.000 1.063 823 S CB 0.788 64.009 63.200 0.036 0.000 0.881 823 S HN 0.328 nan 8.310 nan 0.000 0.493 824 P HA -0.082 nan 4.420 nan 0.000 0.218 824 P C 1.190 178.494 177.300 0.006 0.000 1.148 824 P CA 0.956 64.053 63.100 -0.005 0.000 0.822 824 P CB 0.162 31.855 31.700 -0.011 0.000 0.784 825 K N 0.138 120.550 120.400 0.019 0.000 2.147 825 K HA -0.132 4.437 4.320 0.414 0.000 0.205 825 K C 0.864 177.485 176.600 0.034 0.000 1.049 825 K CA 0.519 56.820 56.287 0.024 0.000 0.936 825 K CB -0.733 31.782 32.500 0.026 0.000 0.722 825 K HN 0.361 nan 8.250 nan 0.000 0.446 826 E N 3.127 123.354 120.200 0.045 0.000 2.752 826 E HA -0.050 4.549 4.350 0.414 0.000 0.241 826 E C -2.120 174.519 176.600 0.065 0.000 1.016 826 E CA -1.071 55.364 56.400 0.058 0.000 0.952 826 E CB 0.413 30.156 29.700 0.072 0.000 0.921 826 E HN 0.033 nan 8.360 nan 0.000 0.515 827 P HA 0.004 nan 4.420 nan 0.000 0.276 827 P C 0.464 177.790 177.300 0.044 0.000 1.244 827 P CA -0.164 62.965 63.100 0.050 0.000 0.801 827 P CB 1.024 32.757 31.700 0.055 0.000 1.006 828 L N 0.568 121.799 121.223 0.013 0.000 2.179 828 L HA 0.148 4.737 4.340 0.414 0.000 0.208 828 L C 1.065 177.912 176.870 -0.038 0.000 1.096 828 L CA 1.057 55.878 54.840 -0.031 0.000 0.779 828 L CB -0.137 41.866 42.059 -0.094 0.000 0.922 828 L HN 0.324 nan 8.230 nan 0.000 0.443 829 I N -0.321 120.244 120.570 -0.009 0.000 2.500 829 I HA 0.233 4.651 4.170 0.414 0.000 0.286 829 I C -0.527 175.693 176.117 0.172 0.000 1.063 829 I CA -0.147 61.178 61.300 0.041 0.000 1.062 829 I CB 1.891 39.846 38.000 -0.075 0.000 1.223 829 I HN 0.016 nan 8.210 nan 0.000 0.435 830 S N 3.423 119.254 115.700 0.218 0.000 2.672 830 S HA 0.846 5.565 4.470 0.414 0.000 0.271 830 S C 0.245 175.000 174.600 0.259 0.000 1.171 830 S CA -0.270 58.077 58.200 0.244 0.000 0.817 830 S CB 1.166 64.453 63.200 0.145 0.000 1.150 830 S HN 1.113 nan 8.310 nan 0.000 0.478 831 G N 1.276 110.190 108.800 0.191 0.000 2.616 831 G HA2 -0.379 3.829 3.960 0.414 0.000 0.361 831 G HA3 -0.379 3.829 3.960 0.414 0.000 0.361 831 G C 0.905 175.991 174.900 0.310 0.000 1.361 831 G CA 0.899 46.124 45.100 0.208 0.000 0.969 831 G HN 1.193 nan 8.290 nan 0.000 0.528 832 W N -0.316 121.042 121.300 0.096 0.000 2.290 832 W HA -0.188 4.721 4.660 0.416 0.000 0.311 832 W C 2.527 179.152 176.519 0.177 0.000 1.238 832 W CA 2.068 59.474 57.345 0.102 0.000 1.255 832 W CB -0.336 29.136 29.460 0.021 0.000 1.145 832 W HN 0.406 nan 8.180 nan 0.000 0.506 833 L N 0.300 121.639 121.223 0.193 0.000 2.079 833 L HA -0.207 4.382 4.340 0.414 0.000 0.210 833 L C 2.375 179.342 176.870 0.163 0.000 1.081 833 L CA 2.048 56.952 54.840 0.107 0.000 0.752 833 L CB -1.374 40.818 42.059 0.222 0.000 0.896 833 L HN 0.011 nan 8.230 nan 0.000 0.433 834 F N -0.866 119.135 119.950 0.085 0.000 2.010 834 F HA -0.338 4.439 4.527 0.417 0.000 0.296 834 F C 2.316 178.121 175.800 0.009 0.000 1.146 834 F CA 2.134 60.184 58.000 0.083 0.000 1.181 834 F CB -0.656 38.393 39.000 0.082 0.000 0.965 834 F HN 0.138 nan 8.300 nan 0.000 0.480 835 F N 1.225 121.274 119.950 0.166 0.000 2.147 835 F HA -0.266 4.511 4.527 0.416 0.000 0.301 835 F C 2.595 178.164 175.800 -0.385 0.000 1.084 835 F CA 2.109 60.038 58.000 -0.118 0.000 1.268 835 F CB -0.571 38.228 39.000 -0.335 0.000 1.009 835 F HN -0.058 nan 8.300 nan 0.000 0.486 836 R N -1.225 118.963 120.500 -0.521 0.000 2.070 836 R HA -0.204 4.385 4.340 0.414 0.000 0.233 836 R C 2.222 178.193 176.300 -0.549 0.000 1.137 836 R CA 2.149 57.855 56.100 -0.656 0.000 0.945 836 R CB -0.703 29.177 30.300 -0.700 0.000 0.845 836 R HN 0.340 nan 8.270 nan 0.000 0.430 837 Y N -0.542 119.568 120.300 -0.316 0.000 2.352 837 Y HA -0.140 4.659 4.550 0.414 0.000 0.292 837 Y C 2.140 177.849 175.900 -0.318 0.000 1.136 837 Y CA 1.021 58.955 58.100 -0.276 0.000 1.227 837 Y CB -0.205 38.094 38.460 -0.268 0.000 0.991 837 Y HN 0.136 nan 8.280 nan 0.000 0.545 838 M N 0.105 119.544 119.600 -0.269 0.000 2.202 838 M HA -0.174 4.554 4.480 0.414 0.000 0.262 838 M C 2.062 178.170 176.300 -0.319 0.000 1.063 838 M CA 1.847 56.967 55.300 -0.300 0.000 1.097 838 M CB -0.430 32.008 32.600 -0.270 0.000 1.382 838 M HN 0.194 nan 8.290 nan 0.000 0.413 839 A N -0.215 122.340 122.820 -0.441 0.000 1.862 839 A HA 0.040 4.608 4.320 0.414 0.000 0.211 839 A C 1.892 179.372 177.584 -0.173 0.000 1.220 839 A CA 1.041 52.858 52.037 -0.367 0.000 0.616 839 A CB -0.734 17.966 19.000 -0.500 0.000 0.878 839 A HN 0.434 nan 8.150 nan 0.000 0.453 840 I N 0.773 121.233 120.570 -0.184 0.000 2.381 840 I HA -0.256 4.162 4.170 0.414 0.000 0.255 840 I C 2.415 178.549 176.117 0.028 0.000 1.140 840 I CA 1.657 62.919 61.300 -0.064 0.000 1.404 840 I CB -1.993 35.951 38.000 -0.094 0.000 1.075 840 I HN 0.387 nan 8.210 nan 0.000 0.433 841 G N 0.551 109.335 108.800 -0.027 0.000 2.404 841 G HA2 -0.069 4.139 3.960 0.414 0.000 0.213 841 G HA3 -0.069 4.139 3.960 0.414 0.000 0.213 841 G C 1.759 176.650 174.900 -0.016 0.000 1.189 841 G CA 0.658 45.745 45.100 -0.022 0.000 0.796 841 G HN 0.435 nan 8.290 nan 0.000 0.532 842 G N -0.021 108.759 108.800 -0.034 0.000 2.469 842 G HA2 -0.312 3.896 3.960 0.414 0.000 0.219 842 G HA3 -0.312 3.896 3.960 0.414 0.000 0.219 842 G C 1.616 176.526 174.900 0.016 0.000 1.150 842 G CA 1.296 46.387 45.100 -0.015 0.000 0.763 842 G HN 0.411 nan 8.290 nan 0.000 0.561 843 Y N 1.948 122.204 120.300 -0.074 0.000 2.049 843 Y HA -0.237 4.561 4.550 0.414 0.000 0.277 843 Y C 2.954 178.830 175.900 -0.040 0.000 1.143 843 Y CA 2.558 60.624 58.100 -0.057 0.000 1.115 843 Y CB -0.749 37.671 38.460 -0.066 0.000 0.975 843 Y HN 0.151 nan 8.280 nan 0.000 0.487 844 V N -0.973 118.860 119.914 -0.135 0.000 2.407 844 V HA -0.109 4.259 4.120 0.414 0.000 0.248 844 V C 2.318 178.310 176.094 -0.170 0.000 1.055 844 V CA 2.100 64.275 62.300 -0.208 0.000 1.049 844 V CB -1.837 29.968 31.823 -0.030 0.000 0.662 844 V HN 0.478 nan 8.190 nan 0.000 0.455 845 G N -0.606 108.135 108.800 -0.099 0.000 2.471 845 G HA2 0.061 4.270 3.960 0.414 0.000 0.219 845 G HA3 0.061 4.270 3.960 0.414 0.000 0.219 845 G C 1.521 176.371 174.900 -0.082 0.000 1.125 845 G CA 1.059 46.120 45.100 -0.066 0.000 0.775 845 G HN 0.916 nan 8.290 nan 0.000 0.548 846 A N 0.670 123.412 122.820 -0.130 0.000 1.920 846 A HA 0.619 5.188 4.320 0.414 0.000 0.209 846 A C 2.713 180.187 177.584 -0.182 0.000 1.229 846 A CA 1.401 53.362 52.037 -0.126 0.000 0.671 846 A CB -0.667 18.273 19.000 -0.099 0.000 0.886 846 A HN 0.573 nan 8.150 nan 0.000 0.461 847 A N 0.489 123.111 122.820 -0.331 0.000 1.917 847 A HA -0.185 4.383 4.320 0.414 0.000 0.219 847 A C 2.449 179.912 177.584 -0.203 0.000 1.182 847 A CA 2.952 54.776 52.037 -0.355 0.000 0.633 847 A CB -1.611 16.998 19.000 -0.651 0.000 0.819 847 A HN 0.744 nan 8.150 nan 0.000 0.448 848 T N -1.931 112.519 114.554 -0.173 0.000 2.684 848 T HA -0.166 4.433 4.350 0.414 0.000 0.267 848 T C 1.723 176.378 174.700 -0.073 0.000 1.036 848 T CA 1.695 63.733 62.100 -0.104 0.000 1.148 848 T CB -1.130 67.689 68.868 -0.082 0.000 0.863 848 T HN 0.112 nan 8.240 nan 0.000 0.436 849 V N 2.402 122.270 119.914 -0.077 0.000 2.219 849 V HA -0.094 4.275 4.120 0.414 0.000 0.248 849 V C 3.129 179.195 176.094 -0.047 0.000 1.053 849 V CA 2.147 64.407 62.300 -0.066 0.000 1.009 849 V CB -1.579 30.199 31.823 -0.075 0.000 0.636 849 V HN 0.698 nan 8.190 nan 0.000 0.445 850 G N -0.914 107.859 108.800 -0.045 0.000 2.535 850 G HA2 -0.066 4.142 3.960 0.414 0.000 0.218 850 G HA3 -0.066 4.142 3.960 0.414 0.000 0.218 850 G C 1.499 176.443 174.900 0.073 0.000 1.122 850 G CA 0.794 45.898 45.100 0.007 0.000 0.769 850 G HN 0.658 nan 8.290 nan 0.000 0.549 851 A N -0.013 122.815 122.820 0.014 0.000 2.167 851 A HA 0.572 5.140 4.320 0.414 0.000 0.214 851 A C 2.335 180.007 177.584 0.147 0.000 1.151 851 A CA 1.732 53.773 52.037 0.007 0.000 0.735 851 A CB -0.106 18.852 19.000 -0.070 0.000 0.802 851 A HN 0.583 nan 8.150 nan 0.000 0.467 852 A N -1.119 121.805 122.820 0.173 0.000 1.999 852 A HA 0.568 5.136 4.320 0.414 0.000 0.200 852 A C 2.186 179.980 177.584 0.349 0.000 1.363 852 A CA 0.956 53.153 52.037 0.266 0.000 0.844 852 A CB -0.770 18.293 19.000 0.104 0.000 0.954 852 A HN 0.890 nan 8.150 nan 0.000 0.481 853 A N -1.191 121.701 122.820 0.121 0.000 2.131 853 A HA -0.135 4.434 4.320 0.414 0.000 0.220 853 A C 1.794 179.511 177.584 0.223 0.000 1.158 853 A CA 1.438 53.488 52.037 0.021 0.000 0.665 853 A CB -0.868 18.091 19.000 -0.069 0.000 0.795 853 A HN 0.907 nan 8.150 nan 0.000 0.460 854 W N -1.130 120.251 121.300 0.135 0.000 2.453 854 W HA -0.069 4.840 4.660 0.414 0.000 0.289 854 W C 1.885 178.534 176.519 0.216 0.000 1.215 854 W CA 0.963 58.409 57.345 0.168 0.000 1.297 854 W CB -0.307 29.258 29.460 0.174 0.000 1.113 854 W HN 0.464 nan 8.180 nan 0.000 0.551 855 W N 0.797 122.309 121.300 0.353 0.000 2.611 855 W HA -0.161 4.751 4.660 0.421 0.000 0.251 855 W C 0.631 177.042 176.519 -0.180 0.000 1.265 855 W CA 0.991 58.322 57.345 -0.023 0.000 1.295 855 W CB -0.512 29.093 29.460 0.242 0.000 1.129 855 W HN -0.010 nan 8.180 nan 0.000 0.630 856 F N -0.304 119.527 119.950 -0.199 0.000 2.289 856 F HA 0.007 4.781 4.527 0.413 0.000 0.280 856 F C 2.598 178.184 175.800 -0.356 0.000 1.045 856 F CA 1.191 59.002 58.000 -0.314 0.000 1.236 856 F CB -1.184 37.662 39.000 -0.257 0.000 1.116 856 F HN -0.360 nan 8.300 nan 0.000 0.550 857 M N -0.797 118.780 119.600 -0.039 0.000 2.637 857 M HA -0.199 4.529 4.480 0.414 0.000 0.269 857 M C 2.005 178.203 176.300 -0.171 0.000 1.154 857 M CA 1.490 56.736 55.300 -0.092 0.000 1.071 857 M CB -1.311 31.225 32.600 -0.106 0.000 1.132 857 M HN 0.117 nan 8.290 nan 0.000 0.512 858 Y N 1.757 121.884 120.300 -0.288 0.000 2.738 858 Y HA 0.066 4.865 4.550 0.414 0.000 0.293 858 Y C 0.728 176.252 175.900 -0.626 0.000 1.156 858 Y CA -0.307 57.605 58.100 -0.315 0.000 1.410 858 Y CB -1.233 37.142 38.460 -0.142 0.000 0.966 858 Y HN 0.301 nan 8.280 nan 0.000 0.568 859 A N 1.146 123.399 122.820 -0.946 0.000 2.600 859 A HA -0.141 4.428 4.320 0.414 0.000 0.244 859 A C 1.739 178.761 177.584 -0.937 0.000 1.016 859 A CA 0.623 51.917 52.037 -1.239 0.000 0.778 859 A CB -0.014 18.311 19.000 -1.125 0.000 0.920 859 A HN 0.584 nan 8.150 nan 0.000 0.513 860 E N 1.262 120.957 120.200 -0.842 0.000 2.008 860 E HA -0.087 4.512 4.350 0.414 0.000 0.191 860 E C -0.354 176.003 176.600 -0.405 0.000 0.986 860 E CA 1.161 57.264 56.400 -0.495 0.000 0.807 860 E CB 0.139 29.695 29.700 -0.240 0.000 0.766 860 E HN 0.734 nan 8.360 nan 0.000 0.450 861 D N -0.414 119.740 120.400 -0.411 0.000 2.454 861 D HA 0.500 5.389 4.640 0.414 0.000 0.247 861 D C -0.078 175.893 176.300 -0.549 0.000 1.129 861 D CA 0.138 53.935 54.000 -0.338 0.000 0.877 861 D CB 1.214 41.927 40.800 -0.146 0.000 1.082 861 D HN 0.289 nan 8.370 nan 0.000 0.537 862 G N 2.334 110.793 108.800 -0.568 0.000 2.344 862 G HA2 0.087 4.296 3.960 0.414 0.000 0.282 862 G HA3 0.087 4.296 3.960 0.414 0.000 0.282 862 G C -2.652 171.915 174.900 -0.554 0.000 1.281 862 G CA -0.725 43.969 45.100 -0.677 0.000 0.877 862 G HN 0.135 nan 8.290 nan 0.000 0.494 863 P HA 0.270 nan 4.420 nan 0.000 0.237 863 P C 0.839 177.880 177.300 -0.432 0.000 1.701 863 P CA 0.569 63.413 63.100 -0.427 0.000 0.955 863 P CB -0.076 31.361 31.700 -0.438 0.000 1.937 864 G N 1.488 110.045 108.800 -0.406 0.000 2.529 864 G HA2 -0.001 4.208 3.960 0.414 0.000 0.285 864 G HA3 -0.001 4.208 3.960 0.414 0.000 0.285 864 G C 0.751 175.542 174.900 -0.183 0.000 0.632 864 G CA -0.216 44.684 45.100 -0.333 0.000 2.116 864 G HN 0.401 nan 8.290 nan 0.000 0.538 865 V N 1.164 120.977 119.914 -0.168 0.000 3.226 865 V HA 0.211 4.579 4.120 0.414 0.000 0.385 865 V C 1.151 177.300 176.094 0.091 0.000 1.268 865 V CA -0.323 61.959 62.300 -0.029 0.000 1.443 865 V CB -1.624 30.130 31.823 -0.115 0.000 1.290 865 V HN 0.594 nan 8.190 nan 0.000 0.490 866 T N -0.881 113.722 114.554 0.082 0.000 2.591 866 T HA -0.154 4.444 4.350 0.414 0.000 0.245 866 T C 0.233 175.182 174.700 0.415 0.000 1.031 866 T CA 0.640 62.880 62.100 0.234 0.000 1.187 866 T CB -1.088 67.941 68.868 0.269 0.000 1.014 866 T HN 0.951 nan 8.240 nan 0.000 0.488 867 Y N -0.097 120.246 120.300 0.072 0.000 3.617 867 Y HA -0.297 4.502 4.550 0.415 0.000 0.215 867 Y C 1.673 177.631 175.900 0.097 0.000 1.178 867 Y CA 0.988 59.129 58.100 0.070 0.000 1.517 867 Y CB -2.929 35.562 38.460 0.053 0.000 1.457 867 Y HN 0.991 nan 8.280 nan 0.000 0.615 868 H N 1.568 120.721 119.070 0.139 0.000 2.518 868 H HA -0.138 4.667 4.556 0.415 0.000 0.292 868 H C 0.555 175.966 175.328 0.138 0.000 1.068 868 H CA 2.032 58.154 56.048 0.123 0.000 1.275 868 H CB 0.316 30.115 29.762 0.062 0.000 1.375 868 H HN 0.626 nan 8.280 nan 0.000 0.563 869 Q N -0.806 119.029 119.800 0.058 0.000 2.451 869 Q HA -0.150 4.439 4.340 0.414 0.000 0.284 869 Q C 1.610 177.626 176.000 0.027 0.000 1.326 869 Q CA 0.736 56.557 55.803 0.031 0.000 0.762 869 Q CB -2.170 26.686 28.738 0.198 0.000 1.160 869 Q HN 0.510 nan 8.270 nan 0.000 0.419 870 L N -0.956 120.319 121.223 0.087 0.000 2.127 870 L HA -0.161 4.428 4.340 0.414 0.000 0.211 870 L C 2.066 178.928 176.870 -0.014 0.000 1.089 870 L CA 1.971 56.834 54.840 0.039 0.000 0.757 870 L CB -0.421 41.561 42.059 -0.127 0.000 0.899 870 L HN 0.273 nan 8.230 nan 0.000 0.434 871 T N -2.168 112.348 114.554 -0.063 0.000 2.929 871 T HA -0.168 4.430 4.350 0.414 0.000 0.271 871 T C 1.741 176.436 174.700 -0.008 0.000 1.085 871 T CA 1.009 63.056 62.100 -0.088 0.000 1.125 871 T CB -0.244 68.518 68.868 -0.177 0.000 0.874 871 T HN 0.345 nan 8.240 nan 0.000 0.494 872 H N -0.119 119.005 119.070 0.091 0.000 2.384 872 H HA 0.282 5.087 4.556 0.415 0.000 0.300 872 H C 0.541 176.067 175.328 0.330 0.000 1.057 872 H CA 0.665 56.827 56.048 0.190 0.000 1.370 872 H CB 0.149 30.058 29.762 0.245 0.000 1.417 872 H HN 0.543 nan 8.280 nan 0.000 0.527 873 F N -2.907 117.190 119.950 0.246 0.000 2.807 873 F HA 0.435 5.212 4.527 0.415 0.000 0.316 873 F C -0.710 175.266 175.800 0.293 0.000 1.162 873 F CA -0.989 57.136 58.000 0.207 0.000 0.910 873 F CB 1.220 40.314 39.000 0.157 0.000 1.314 873 F HN -0.264 nan 8.300 nan 0.000 0.454 874 M N 1.413 121.213 119.600 0.334 0.000 3.340 874 M HA 0.146 4.874 4.480 0.414 0.000 0.471 874 M C 0.272 176.709 176.300 0.229 0.000 1.550 874 M CA 0.086 55.498 55.300 0.187 0.000 0.754 874 M CB 0.970 33.701 32.600 0.217 0.000 1.485 874 M HN 0.889 nan 8.290 nan 0.000 0.530 875 Q N -0.126 120.008 119.800 0.557 0.000 1.922 875 Q HA -0.075 4.514 4.340 0.414 0.000 0.201 875 Q C 1.336 177.438 176.000 0.170 0.000 0.979 875 Q CA 1.505 57.477 55.803 0.282 0.000 0.841 875 Q CB 0.026 28.845 28.738 0.134 0.000 0.903 875 Q HN 0.669 nan 8.270 nan 0.000 0.431 876 c N 0.091 118.828 118.600 0.228 0.000 4.191 876 c HA -0.194 4.624 4.570 0.414 0.000 0.287 876 c C 1.859 175.944 174.090 -0.009 0.000 1.494 876 c CA 0.886 57.282 56.329 0.111 0.000 1.999 876 c CB -2.443 40.091 42.510 0.041 0.000 1.363 876 c HN 0.635 nan 8.230 nan 0.000 0.788 877 T N -0.219 114.320 114.554 -0.025 0.000 2.951 877 T HA -0.102 4.496 4.350 0.414 0.000 0.268 877 T C 1.475 176.126 174.700 -0.081 0.000 1.073 877 T CA 1.769 63.843 62.100 -0.043 0.000 1.134 877 T CB 0.010 68.860 68.868 -0.030 0.000 0.884 877 T HN 0.763 nan 8.240 nan 0.000 0.479 878 E N 0.747 120.881 120.200 -0.109 0.000 2.075 878 E HA -0.010 4.588 4.350 0.414 0.000 0.190 878 E C 1.237 177.658 176.600 -0.298 0.000 0.969 878 E CA 0.582 56.904 56.400 -0.131 0.000 0.815 878 E CB -0.034 29.611 29.700 -0.092 0.000 0.776 878 E HN 0.275 nan 8.360 nan 0.000 0.457 879 D N -0.922 119.375 120.400 -0.173 0.000 3.006 879 D HA -0.228 4.661 4.640 0.414 0.000 0.208 879 D C 0.844 177.044 176.300 -0.166 0.000 1.116 879 D CA 1.215 55.142 54.000 -0.122 0.000 0.998 879 D CB -1.104 39.590 40.800 -0.176 0.000 1.124 879 D HN 0.337 nan 8.370 nan 0.000 0.413 880 H N -1.383 117.656 119.070 -0.052 0.000 2.415 880 H HA 0.133 4.938 4.556 0.415 0.000 0.297 880 H C -0.693 174.614 175.328 -0.034 0.000 1.048 880 H CA 1.522 57.511 56.048 -0.099 0.000 1.365 880 H CB -1.014 28.667 29.762 -0.135 0.000 1.421 880 H HN 0.433 nan 8.280 nan 0.000 0.533 881 P HA -0.140 nan 4.420 nan 0.000 0.223 881 P C 0.259 177.748 177.300 0.315 0.000 1.144 881 P CA 1.303 64.494 63.100 0.152 0.000 0.783 881 P CB -0.236 31.483 31.700 0.032 0.000 0.771 882 H N -0.808 118.385 119.070 0.204 0.000 2.680 882 H HA 0.271 5.076 4.556 0.415 0.000 0.260 882 H C 0.926 176.381 175.328 0.212 0.000 1.328 882 H CA -1.173 55.021 56.048 0.243 0.000 1.269 882 H CB -0.700 29.204 29.762 0.236 0.000 1.446 882 H HN -0.279 nan 8.280 nan 0.000 0.527 883 F N 2.473 122.386 119.950 -0.061 0.000 2.174 883 F HA -0.279 4.497 4.527 0.414 0.000 0.296 883 F C 1.326 176.978 175.800 -0.245 0.000 1.182 883 F CA 2.453 60.387 58.000 -0.111 0.000 1.265 883 F CB -0.028 38.941 39.000 -0.052 0.000 0.920 883 F HN 0.569 nan 8.300 nan 0.000 0.548 884 E N -0.552 119.572 120.200 -0.127 0.000 2.171 884 E HA 0.510 5.109 4.350 0.414 0.000 0.271 884 E C -0.516 175.867 176.600 -0.362 0.000 0.916 884 E CA -0.055 56.239 56.400 -0.177 0.000 0.774 884 E CB 1.376 31.071 29.700 -0.008 0.000 1.128 884 E HN 0.427 nan 8.360 nan 0.000 0.403 885 G N 2.490 111.182 108.800 -0.180 0.000 2.361 885 G HA2 0.252 4.461 3.960 0.414 0.000 0.299 885 G HA3 0.252 4.461 3.960 0.414 0.000 0.299 885 G C -0.760 174.168 174.900 0.045 0.000 1.544 885 G CA -0.744 44.373 45.100 0.029 0.000 0.860 885 G HN 0.500 nan 8.290 nan 0.000 0.610 886 L N 0.217 121.483 121.223 0.072 0.000 3.358 886 L HA 0.435 5.023 4.340 0.414 0.000 0.301 886 L C -0.600 176.293 176.870 0.038 0.000 1.276 886 L CA -0.173 54.687 54.840 0.035 0.000 1.028 886 L CB 1.055 43.123 42.059 0.015 0.000 1.421 886 L HN 0.474 nan 8.230 nan 0.000 0.604 887 D N -1.113 119.325 120.400 0.064 0.000 2.937 887 D HA 0.263 5.152 4.640 0.414 0.000 0.215 887 D C -0.592 175.719 176.300 0.018 0.000 1.274 887 D CA -0.322 53.697 54.000 0.033 0.000 0.869 887 D CB 2.236 43.052 40.800 0.026 0.000 1.675 887 D HN -0.024 nan 8.370 nan 0.000 0.538 888 c N 3.463 122.047 118.600 -0.026 0.000 4.049 888 c HA 0.185 5.004 4.570 0.414 0.000 0.493 888 c C 1.794 175.808 174.090 -0.127 0.000 1.535 888 c CA 0.707 56.966 56.329 -0.116 0.000 2.218 888 c CB -0.542 41.868 42.510 -0.165 0.000 3.323 888 c HN 0.775 nan 8.230 nan 0.000 0.654 889 E N 1.597 121.770 120.200 -0.045 0.000 2.501 889 E HA -0.179 4.420 4.350 0.414 0.000 0.203 889 E C 1.404 178.069 176.600 0.109 0.000 1.072 889 E CA 1.230 57.639 56.400 0.016 0.000 0.885 889 E CB -0.382 29.332 29.700 0.023 0.000 0.813 889 E HN 0.635 nan 8.360 nan 0.000 0.556 890 I N 0.796 121.435 120.570 0.115 0.000 2.236 890 I HA -0.296 4.122 4.170 0.414 0.000 0.249 890 I C 1.711 177.967 176.117 0.233 0.000 1.102 890 I CA 1.182 62.558 61.300 0.127 0.000 1.365 890 I CB -0.676 37.361 38.000 0.061 0.000 1.051 890 I HN 0.084 nan 8.210 nan 0.000 0.420 891 F N 1.268 121.245 119.950 0.044 0.000 2.082 891 F HA -0.282 4.494 4.527 0.414 0.000 0.298 891 F C 2.126 178.087 175.800 0.268 0.000 1.091 891 F CA 1.540 59.678 58.000 0.231 0.000 1.230 891 F CB -1.176 37.933 39.000 0.182 0.000 0.983 891 F HN 0.269 nan 8.300 nan 0.000 0.485 892 E N 0.391 120.799 120.200 0.347 0.000 2.322 892 E HA 0.241 4.839 4.350 0.414 0.000 0.195 892 E C 0.438 177.133 176.600 0.159 0.000 1.198 892 E CA -0.089 56.449 56.400 0.230 0.000 1.132 892 E CB -0.402 29.400 29.700 0.170 0.000 1.213 892 E HN 0.236 nan 8.360 nan 0.000 0.450 893 A N 2.580 125.498 122.820 0.164 0.000 2.462 893 A HA 0.123 4.691 4.320 0.414 0.000 0.243 893 A C -1.256 176.346 177.584 0.030 0.000 1.076 893 A CA -1.059 51.023 52.037 0.076 0.000 0.773 893 A CB 0.248 19.282 19.000 0.057 0.000 1.010 893 A HN 0.059 nan 8.150 nan 0.000 0.493 894 P HA 0.002 nan 4.420 nan 0.000 0.235 894 P C 0.468 177.640 177.300 -0.213 0.000 1.177 894 P CA 0.708 63.756 63.100 -0.086 0.000 0.785 894 P CB 0.430 32.084 31.700 -0.076 0.000 0.885 895 E N 1.507 121.488 120.200 -0.365 0.000 2.047 895 E HA -0.084 4.514 4.350 0.414 0.000 0.191 895 E C -0.457 175.686 176.600 -0.761 0.000 0.987 895 E CA 1.783 57.728 56.400 -0.758 0.000 0.799 895 E CB -1.943 26.918 29.700 -1.398 0.000 0.752 895 E HN 0.400 nan 8.360 nan 0.000 0.449 896 P HA -0.175 nan 4.420 nan 0.000 0.217 896 P C 1.329 178.602 177.300 -0.045 0.000 1.150 896 P CA 1.481 64.518 63.100 -0.106 0.000 0.832 896 P CB 0.046 32.009 31.700 0.438 0.000 0.787 897 M N -0.586 118.985 119.600 -0.049 0.000 2.059 897 M HA -0.110 4.619 4.480 0.414 0.000 0.259 897 M C 2.548 178.806 176.300 -0.071 0.000 1.072 897 M CA 2.496 57.779 55.300 -0.027 0.000 1.117 897 M CB -1.473 31.127 32.600 -0.000 0.000 1.320 897 M HN -0.042 nan 8.290 nan 0.000 0.408 898 T N 0.281 114.756 114.554 -0.132 0.000 2.897 898 T HA -0.163 4.436 4.350 0.414 0.000 0.271 898 T C 1.727 176.305 174.700 -0.204 0.000 1.084 898 T CA 1.070 63.072 62.100 -0.162 0.000 1.123 898 T CB 0.015 68.739 68.868 -0.241 0.000 0.865 898 T HN 0.148 nan 8.240 nan 0.000 0.496 899 M N 0.739 120.205 119.600 -0.223 0.000 2.064 899 M HA 0.090 4.819 4.480 0.414 0.000 0.260 899 M C 2.825 179.045 176.300 -0.133 0.000 1.073 899 M CA 1.842 57.013 55.300 -0.215 0.000 1.124 899 M CB -1.609 30.921 32.600 -0.116 0.000 1.326 899 M HN 0.418 nan 8.290 nan 0.000 0.410 900 A N 0.155 122.933 122.820 -0.071 0.000 1.883 900 A HA -0.190 4.379 4.320 0.414 0.000 0.217 900 A C 2.181 179.741 177.584 -0.039 0.000 1.186 900 A CA 1.654 53.662 52.037 -0.048 0.000 0.624 900 A CB -1.120 17.864 19.000 -0.027 0.000 0.822 900 A HN 0.463 nan 8.150 nan 0.000 0.444 901 L N 0.053 121.265 121.223 -0.019 0.000 2.079 901 L HA -0.141 4.448 4.340 0.414 0.000 0.210 901 L C 2.394 179.275 176.870 0.019 0.000 1.081 901 L CA 2.706 57.562 54.840 0.026 0.000 0.752 901 L CB -0.590 41.513 42.059 0.073 0.000 0.896 901 L HN 0.276 nan 8.230 nan 0.000 0.433 902 S N -1.350 114.359 115.700 0.015 0.000 2.387 902 S HA -0.096 4.622 4.470 0.414 0.000 0.226 902 S C 1.947 176.561 174.600 0.023 0.000 1.026 902 S CA 1.131 59.356 58.200 0.041 0.000 0.972 902 S CB -0.311 62.809 63.200 -0.134 0.000 0.814 902 S HN 0.344 nan 8.310 nan 0.000 0.477 903 V N 1.983 121.885 119.914 -0.020 0.000 2.295 903 V HA -0.159 4.210 4.120 0.414 0.000 0.246 903 V C 2.265 178.352 176.094 -0.013 0.000 1.049 903 V CA 1.549 63.843 62.300 -0.011 0.000 1.024 903 V CB -0.644 31.144 31.823 -0.058 0.000 0.648 903 V HN 0.345 nan 8.190 nan 0.000 0.447 904 L N 0.076 121.279 121.223 -0.033 0.000 1.971 904 L HA -0.172 4.417 4.340 0.414 0.000 0.215 904 L C 2.427 179.276 176.870 -0.034 0.000 1.072 904 L CA 2.069 56.890 54.840 -0.032 0.000 0.758 904 L CB -0.729 41.313 42.059 -0.030 0.000 0.889 904 L HN 0.157 nan 8.230 nan 0.000 0.433 905 V N -0.647 119.215 119.914 -0.087 0.000 2.278 905 V HA -0.398 3.971 4.120 0.414 0.000 0.251 905 V C 2.459 178.525 176.094 -0.047 0.000 1.062 905 V CA 2.422 64.644 62.300 -0.129 0.000 1.038 905 V CB -1.402 30.178 31.823 -0.405 0.000 0.646 905 V HN 0.599 nan 8.190 nan 0.000 0.447 906 T N 0.409 114.963 114.554 0.001 0.000 2.652 906 T HA -0.182 4.416 4.350 0.414 0.000 0.267 906 T C 1.803 176.530 174.700 0.045 0.000 1.039 906 T CA 2.129 64.256 62.100 0.046 0.000 1.153 906 T CB -0.374 68.560 68.868 0.110 0.000 0.863 906 T HN 0.374 nan 8.240 nan 0.000 0.428 907 I N 0.995 121.596 120.570 0.052 0.000 2.118 907 I HA -0.194 4.224 4.170 0.414 0.000 0.241 907 I C 2.820 178.985 176.117 0.080 0.000 1.070 907 I CA 1.309 62.653 61.300 0.074 0.000 1.327 907 I CB -0.444 37.600 38.000 0.074 0.000 1.034 907 I HN 0.158 nan 8.210 nan 0.000 0.405 908 E N 0.349 120.595 120.200 0.077 0.000 2.077 908 E HA -0.192 4.406 4.350 0.414 0.000 0.193 908 E C 2.220 178.915 176.600 0.159 0.000 0.989 908 E CA 1.217 57.704 56.400 0.146 0.000 0.800 908 E CB -0.275 29.481 29.700 0.094 0.000 0.746 908 E HN 0.389 nan 8.360 nan 0.000 0.452 909 M N -0.038 119.608 119.600 0.076 0.000 2.202 909 M HA -0.152 4.577 4.480 0.414 0.000 0.262 909 M C 2.399 178.703 176.300 0.006 0.000 1.063 909 M CA 0.904 56.227 55.300 0.037 0.000 1.097 909 M CB -1.208 31.402 32.600 0.016 0.000 1.382 909 M HN 0.182 nan 8.290 nan 0.000 0.413 910 C N -0.214 119.098 119.300 0.020 0.000 2.518 910 C HA -0.062 4.647 4.460 0.414 0.000 0.279 910 C C 2.471 177.452 174.990 -0.014 0.000 1.279 910 C CA 0.907 59.923 59.018 -0.003 0.000 1.703 910 C CB -1.303 26.445 27.740 0.013 0.000 2.072 910 C HN 0.580 nan 8.230 nan 0.000 0.487 911 N N 1.181 119.907 118.700 0.042 0.000 2.430 911 N HA -0.081 4.907 4.740 0.414 0.000 0.186 911 N C 1.364 176.862 175.510 -0.019 0.000 1.032 911 N CA 1.278 54.369 53.050 0.068 0.000 0.893 911 N CB -0.099 38.492 38.487 0.174 0.000 0.957 911 N HN 0.505 nan 8.380 nan 0.000 0.442 912 A N -0.659 122.069 122.820 -0.154 0.000 2.169 912 A HA 0.132 4.700 4.320 0.414 0.000 0.212 912 A C 1.866 179.244 177.584 -0.343 0.000 1.153 912 A CA 0.389 52.060 52.037 -0.610 0.000 0.756 912 A CB -0.157 18.505 19.000 -0.564 0.000 0.813 912 A HN 0.344 nan 8.150 nan 0.000 0.471 913 L N -0.745 120.367 121.223 -0.185 0.000 2.513 913 L HA 0.077 4.666 4.340 0.414 0.000 0.222 913 L C 0.982 177.770 176.870 -0.136 0.000 1.096 913 L CA 0.134 54.886 54.840 -0.148 0.000 0.857 913 L CB -0.146 41.845 42.059 -0.113 0.000 1.026 913 L HN 0.272 nan 8.230 nan 0.000 0.469 914 N N -0.565 118.065 118.700 -0.117 0.000 2.370 914 N HA 0.027 5.016 4.740 0.414 0.000 0.198 914 N C 1.048 176.499 175.510 -0.098 0.000 1.156 914 N CA 0.296 53.284 53.050 -0.103 0.000 0.839 914 N CB 0.684 39.122 38.487 -0.082 0.000 0.989 914 N HN 0.154 nan 8.380 nan 0.000 0.468 915 S N -0.086 115.542 115.700 -0.120 0.000 2.520 915 S HA 0.242 4.961 4.470 0.414 0.000 0.219 915 S C 1.693 176.231 174.600 -0.103 0.000 1.028 915 S CA -0.382 57.760 58.200 -0.097 0.000 0.921 915 S CB 0.516 63.630 63.200 -0.144 0.000 0.844 915 S HN 0.203 nan 8.310 nan 0.000 0.495 916 L N 1.739 122.891 121.223 -0.117 0.000 2.661 916 L HA 0.039 4.627 4.340 0.414 0.000 0.236 916 L C 0.757 177.574 176.870 -0.088 0.000 1.176 916 L CA 0.523 55.306 54.840 -0.096 0.000 0.836 916 L CB -0.162 41.838 42.059 -0.099 0.000 0.960 916 L HN 0.220 nan 8.230 nan 0.000 0.455 917 S N -2.117 113.524 115.700 -0.099 0.000 2.606 917 S HA 0.075 4.794 4.470 0.414 0.000 0.290 917 S C 0.339 174.868 174.600 -0.117 0.000 1.103 917 S CA -0.744 57.394 58.200 -0.104 0.000 0.870 917 S CB 1.329 64.460 63.200 -0.115 0.000 1.077 917 S HN 0.223 nan 8.310 nan 0.000 0.448 918 E N 2.519 122.657 120.200 -0.104 0.000 2.007 918 E HA -0.027 4.572 4.350 0.414 0.000 0.194 918 E C 0.305 176.814 176.600 -0.152 0.000 0.999 918 E CA 1.241 57.587 56.400 -0.090 0.000 0.811 918 E CB -0.064 29.606 29.700 -0.051 0.000 0.762 918 E HN 0.723 nan 8.360 nan 0.000 0.450 919 N N 0.512 119.088 118.700 -0.208 0.000 2.610 919 N HA 0.103 5.092 4.740 0.414 0.000 0.309 919 N C -1.203 173.800 175.510 -0.845 0.000 1.536 919 N CA -0.241 52.587 53.050 -0.370 0.000 0.954 919 N CB 0.817 39.182 38.487 -0.203 0.000 1.310 919 N HN 0.024 nan 8.380 nan 0.000 0.502 920 Q N 0.537 119.915 119.800 -0.704 0.000 2.304 920 Q HA 0.337 4.926 4.340 0.414 0.000 0.270 920 Q C -0.568 175.180 176.000 -0.420 0.000 1.035 920 Q CA -0.381 54.955 55.803 -0.779 0.000 0.781 920 Q CB 2.238 30.823 28.738 -0.255 0.000 1.261 920 Q HN 0.133 nan 8.270 nan 0.000 0.444 921 S N 1.646 117.274 115.700 -0.120 0.000 2.579 921 S HA 0.083 4.802 4.470 0.414 0.000 0.275 921 S C 1.444 176.058 174.600 0.023 0.000 1.345 921 S CA -0.308 57.955 58.200 0.106 0.000 1.031 921 S CB 0.416 63.833 63.200 0.362 0.000 0.892 921 S HN 0.448 nan 8.310 nan 0.000 0.529 922 L N 1.845 123.046 121.223 -0.036 0.000 2.456 922 L HA -0.008 4.581 4.340 0.414 0.000 0.224 922 L C 2.025 178.829 176.870 -0.109 0.000 1.148 922 L CA 1.070 55.845 54.840 -0.107 0.000 0.825 922 L CB -0.384 41.589 42.059 -0.143 0.000 0.937 922 L HN 0.593 nan 8.230 nan 0.000 0.450 923 M N -1.589 117.996 119.600 -0.025 0.000 2.492 923 M HA -0.008 4.721 4.480 0.414 0.000 0.262 923 M C 1.872 178.181 176.300 0.014 0.000 1.090 923 M CA 1.131 56.426 55.300 -0.008 0.000 1.110 923 M CB -0.636 31.978 32.600 0.023 0.000 1.407 923 M HN 0.111 nan 8.290 nan 0.000 0.470 924 R N -0.922 119.601 120.500 0.039 0.000 2.279 924 R HA 0.253 4.841 4.340 0.414 0.000 0.195 924 R C 0.653 176.960 176.300 0.013 0.000 0.905 924 R CA 0.294 56.428 56.100 0.056 0.000 1.044 924 R CB 0.389 30.765 30.300 0.126 0.000 1.056 924 R HN 0.249 nan 8.270 nan 0.000 0.535 925 M N 2.478 122.056 119.600 -0.037 0.000 2.561 925 M HA 0.375 5.104 4.480 0.414 0.000 0.266 925 M C -2.761 173.409 176.300 -0.217 0.000 1.080 925 M CA -1.728 53.515 55.300 -0.095 0.000 0.993 925 M CB 0.972 33.519 32.600 -0.088 0.000 1.303 925 M HN -0.292 nan 8.290 nan 0.000 0.462 926 P HA 0.152 nan 4.420 nan 0.000 0.265 926 P C -2.264 174.575 177.300 -0.769 0.000 1.193 926 P CA -0.571 62.055 63.100 -0.790 0.000 0.765 926 P CB 0.139 31.231 31.700 -1.014 0.000 0.823 927 P HA -0.132 nan 4.420 nan 0.000 0.221 927 P C 0.228 177.395 177.300 -0.222 0.000 1.145 927 P CA 1.179 64.035 63.100 -0.406 0.000 0.795 927 P CB -0.311 31.199 31.700 -0.317 0.000 0.775 928 W N -2.567 118.739 121.300 0.010 0.000 3.438 928 W HA 0.302 5.210 4.660 0.413 0.000 0.322 928 W C 0.771 177.307 176.519 0.028 0.000 1.261 928 W CA -0.240 57.113 57.345 0.014 0.000 1.788 928 W CB -1.667 27.794 29.460 0.003 0.000 1.065 928 W HN -0.307 nan 8.180 nan 0.000 0.715 929 V N 1.485 121.441 119.914 0.070 0.000 2.649 929 V HA -0.106 4.263 4.120 0.414 0.000 0.248 929 V C 0.835 177.005 176.094 0.126 0.000 1.054 929 V CA 1.417 63.778 62.300 0.101 0.000 1.073 929 V CB -0.488 31.338 31.823 0.005 0.000 0.699 929 V HN 0.327 nan 8.190 nan 0.000 0.463 930 N N 0.753 119.523 118.700 0.117 0.000 2.696 930 N HA 0.177 5.165 4.740 0.414 0.000 0.246 930 N C 0.638 176.273 175.510 0.208 0.000 1.057 930 N CA -0.225 52.932 53.050 0.179 0.000 0.867 930 N CB 1.103 39.668 38.487 0.130 0.000 1.141 930 N HN -0.002 nan 8.380 nan 0.000 0.517 931 I N 1.396 122.104 120.570 0.229 0.000 2.179 931 I HA -0.183 4.235 4.170 0.414 0.000 0.242 931 I C 1.461 177.647 176.117 0.114 0.000 1.088 931 I CA 1.031 62.406 61.300 0.126 0.000 1.357 931 I CB -1.006 36.999 38.000 0.010 0.000 1.051 931 I HN 0.520 nan 8.210 nan 0.000 0.409 932 W N 0.765 122.117 121.300 0.088 0.000 2.321 932 W HA -0.234 4.670 4.660 0.406 0.000 0.285 932 W C 2.457 179.041 176.519 0.107 0.000 1.213 932 W CA 0.753 58.172 57.345 0.122 0.000 1.205 932 W CB -0.991 28.622 29.460 0.255 0.000 1.134 932 W HN 0.130 nan 8.180 nan 0.000 0.549 933 L N -0.142 121.253 121.223 0.287 0.000 2.007 933 L HA -0.069 4.519 4.340 0.414 0.000 0.205 933 L C 2.193 179.108 176.870 0.076 0.000 1.073 933 L CA 1.784 56.705 54.840 0.135 0.000 0.744 933 L CB -1.310 40.786 42.059 0.062 0.000 0.898 933 L HN -0.030 nan 8.230 nan 0.000 0.435 934 L N -0.466 120.798 121.223 0.068 0.000 2.129 934 L HA -0.190 4.399 4.340 0.414 0.000 0.212 934 L C 2.373 179.262 176.870 0.031 0.000 1.087 934 L CA 1.302 56.169 54.840 0.046 0.000 0.757 934 L CB -1.230 40.872 42.059 0.072 0.000 0.896 934 L HN 0.513 nan 8.230 nan 0.000 0.434 935 G N -0.364 108.452 108.800 0.027 0.000 2.524 935 G HA2 -0.318 3.891 3.960 0.414 0.000 0.215 935 G HA3 -0.318 3.891 3.960 0.414 0.000 0.215 935 G C 1.743 176.659 174.900 0.025 0.000 1.239 935 G CA 1.110 46.207 45.100 -0.006 0.000 0.798 935 G HN 0.491 nan 8.290 nan 0.000 0.557 936 S N 1.071 116.813 115.700 0.070 0.000 2.372 936 S HA -0.230 4.488 4.470 0.414 0.000 0.227 936 S C 2.361 176.985 174.600 0.040 0.000 1.044 936 S CA 1.644 59.886 58.200 0.069 0.000 1.050 936 S CB -0.673 62.583 63.200 0.093 0.000 0.901 936 S HN 0.349 nan 8.310 nan 0.000 0.447 937 I N 1.210 121.799 120.570 0.032 0.000 2.182 937 I HA -0.325 4.094 4.170 0.414 0.000 0.248 937 I C 2.767 178.900 176.117 0.027 0.000 1.073 937 I CA 1.679 62.992 61.300 0.021 0.000 1.335 937 I CB -0.793 37.213 38.000 0.010 0.000 1.031 937 I HN 0.488 nan 8.210 nan 0.000 0.420 938 C N -0.126 119.187 119.300 0.022 0.000 2.453 938 C HA -0.131 4.577 4.460 0.414 0.000 0.277 938 C C 2.700 177.715 174.990 0.040 0.000 1.262 938 C CA 0.445 59.475 59.018 0.020 0.000 1.718 938 C CB -0.876 26.864 27.740 0.001 0.000 2.031 938 C HN 0.518 nan 8.230 nan 0.000 0.480 939 L N 0.899 122.145 121.223 0.039 0.000 2.191 939 L HA -0.075 4.513 4.340 0.414 0.000 0.212 939 L C 2.542 179.458 176.870 0.076 0.000 1.103 939 L CA 2.021 56.894 54.840 0.055 0.000 0.769 939 L CB -0.768 41.318 42.059 0.045 0.000 0.908 939 L HN 0.345 nan 8.230 nan 0.000 0.438 940 S N -1.482 114.253 115.700 0.057 0.000 2.371 940 S HA -0.126 4.592 4.470 0.414 0.000 0.224 940 S C 1.976 176.657 174.600 0.135 0.000 1.029 940 S CA 1.191 59.419 58.200 0.047 0.000 0.978 940 S CB -0.100 63.108 63.200 0.014 0.000 0.833 940 S HN 0.408 nan 8.310 nan 0.000 0.466 941 M N 1.875 121.558 119.600 0.138 0.000 2.077 941 M HA -0.020 4.709 4.480 0.414 0.000 0.261 941 M C 2.557 179.056 176.300 0.332 0.000 1.070 941 M CA 1.890 57.321 55.300 0.218 0.000 1.125 941 M CB -1.865 30.815 32.600 0.134 0.000 1.339 941 M HN 0.598 nan 8.290 nan 0.000 0.409 942 S N 0.108 115.939 115.700 0.218 0.000 2.440 942 S HA -0.104 4.614 4.470 0.414 0.000 0.238 942 S C 2.003 176.765 174.600 0.271 0.000 1.010 942 S CA 0.910 59.232 58.200 0.203 0.000 0.972 942 S CB -0.825 62.426 63.200 0.085 0.000 0.774 942 S HN 0.447 nan 8.310 nan 0.000 0.501 943 L N 0.266 121.677 121.223 0.313 0.000 2.095 943 L HA -0.007 4.581 4.340 0.414 0.000 0.204 943 L C 2.842 180.033 176.870 0.536 0.000 1.080 943 L CA 1.642 56.742 54.840 0.434 0.000 0.759 943 L CB -0.540 41.793 42.059 0.456 0.000 0.914 943 L HN 0.376 nan 8.230 nan 0.000 0.439 944 H N -0.268 119.063 119.070 0.435 0.000 2.289 944 H HA -0.244 4.553 4.556 0.403 0.000 0.296 944 H C 1.966 177.347 175.328 0.087 0.000 1.091 944 H CA 2.104 58.322 56.048 0.283 0.000 1.274 944 H CB -0.322 29.577 29.762 0.229 0.000 1.364 944 H HN 0.185 nan 8.280 nan 0.000 0.490 945 F N -0.642 119.368 119.950 0.100 0.000 2.171 945 F HA -0.109 4.662 4.527 0.407 0.000 0.300 945 F C 2.399 178.203 175.800 0.006 0.000 1.090 945 F CA 0.770 58.781 58.000 0.020 0.000 1.293 945 F CB -0.387 38.609 39.000 -0.007 0.000 1.013 945 F HN 0.206 nan 8.300 nan 0.000 0.486 946 L N 0.557 121.901 121.223 0.201 0.000 2.261 946 L HA -0.125 4.463 4.340 0.414 0.000 0.216 946 L C 1.483 178.361 176.870 0.013 0.000 1.114 946 L CA 1.515 56.428 54.840 0.123 0.000 0.777 946 L CB -0.675 41.472 42.059 0.146 0.000 0.910 946 L HN 0.260 nan 8.230 nan 0.000 0.440 947 I N -4.921 115.546 120.570 -0.171 0.000 3.805 947 I HA 0.242 4.661 4.170 0.414 0.000 0.337 947 I C 0.528 176.507 176.117 -0.229 0.000 1.539 947 I CA 0.259 61.366 61.300 -0.322 0.000 1.176 947 I CB 0.334 37.720 38.000 -1.023 0.000 1.248 947 I HN -0.072 nan 8.210 nan 0.000 0.437 948 L N -0.794 120.398 121.223 -0.052 0.000 3.066 948 L HA 0.325 4.914 4.340 0.414 0.000 0.272 948 L C 1.214 178.149 176.870 0.107 0.000 1.101 948 L CA 0.891 55.725 54.840 -0.010 0.000 1.022 948 L CB -0.056 41.978 42.059 -0.041 0.000 1.600 948 L HN 0.205 nan 8.230 nan 0.000 0.559 949 Y N -1.706 118.602 120.300 0.014 0.000 2.526 949 Y HA 0.318 5.113 4.550 0.408 0.000 0.265 949 Y C 1.045 176.965 175.900 0.033 0.000 1.092 949 Y CA -0.522 57.605 58.100 0.046 0.000 1.277 949 Y CB 0.337 38.858 38.460 0.102 0.000 1.228 949 Y HN -0.352 nan 8.280 nan 0.000 0.507 950 V N 3.426 123.451 119.914 0.185 0.000 2.304 950 V HA -0.105 4.264 4.120 0.414 0.000 0.239 950 V C 0.722 176.857 176.094 0.068 0.000 1.201 950 V CA 0.116 62.484 62.300 0.113 0.000 1.254 950 V CB -1.109 30.771 31.823 0.094 0.000 1.335 950 V HN 0.419 nan 8.190 nan 0.000 0.491 951 D N 3.814 124.246 120.400 0.053 0.000 4.769 951 D HA -0.291 4.597 4.640 0.414 0.000 0.434 951 D C -0.369 175.937 176.300 0.010 0.000 1.471 951 D CA 2.606 56.618 54.000 0.020 0.000 1.222 951 D CB -1.703 39.109 40.800 0.020 0.000 0.703 951 D HN 0.467 nan 8.370 nan 0.000 0.751 952 P HA -0.126 nan 4.420 nan 0.000 0.210 952 P C 2.106 179.404 177.300 -0.002 0.000 1.185 952 P CA 0.998 64.101 63.100 0.004 0.000 0.924 952 P CB -0.257 31.452 31.700 0.016 0.000 0.786 953 L N -0.162 121.078 121.223 0.028 0.000 1.991 953 L HA -0.165 4.424 4.340 0.414 0.000 0.221 953 L C -0.336 176.592 176.870 0.098 0.000 1.079 953 L CA 2.306 57.191 54.840 0.074 0.000 0.778 953 L CB -2.808 39.327 42.059 0.126 0.000 0.893 953 L HN 0.153 nan 8.230 nan 0.000 0.437 954 P HA -0.208 nan 4.420 nan 0.000 0.234 954 P C 1.394 178.687 177.300 -0.012 0.000 1.162 954 P CA 1.319 64.429 63.100 0.016 0.000 0.759 954 P CB 0.062 31.737 31.700 -0.041 0.000 0.813 955 M N 1.078 120.661 119.600 -0.029 0.000 2.191 955 M HA 0.008 4.737 4.480 0.414 0.000 0.262 955 M C 2.055 178.305 176.300 -0.083 0.000 1.083 955 M CA 1.360 56.628 55.300 -0.053 0.000 1.154 955 M CB -1.400 31.169 32.600 -0.053 0.000 1.344 955 M HN -0.082 nan 8.290 nan 0.000 0.431 956 I N -1.786 118.685 120.570 -0.166 0.000 2.439 956 I HA -0.043 4.376 4.170 0.414 0.000 0.251 956 I C 1.486 177.412 176.117 -0.319 0.000 1.139 956 I CA 1.282 62.412 61.300 -0.284 0.000 1.438 956 I CB -0.604 37.120 38.000 -0.461 0.000 1.085 956 I HN 0.163 nan 8.210 nan 0.000 0.427 957 F N 0.809 120.710 119.950 -0.082 0.000 2.090 957 F HA 0.346 5.101 4.527 0.380 0.000 0.281 957 F C 1.249 177.002 175.800 -0.078 0.000 1.157 957 F CA 0.651 58.597 58.000 -0.091 0.000 1.130 957 F CB -0.247 38.649 39.000 -0.172 0.000 1.034 957 F HN -0.066 nan 8.300 nan 0.000 0.491 958 K N -1.384 119.091 120.400 0.124 0.000 2.617 958 K HA 0.433 5.002 4.320 0.414 0.000 0.293 958 K C -1.783 174.777 176.600 -0.066 0.000 1.034 958 K CA -0.694 55.595 56.287 0.002 0.000 0.884 958 K CB 0.892 33.381 32.500 -0.018 0.000 1.541 958 K HN -0.041 nan 8.250 nan 0.000 0.409 959 L N 1.330 122.485 121.223 -0.114 0.000 2.475 959 L HA 0.444 5.033 4.340 0.414 0.000 0.253 959 L C 0.013 176.751 176.870 -0.220 0.000 1.198 959 L CA 0.267 55.010 54.840 -0.162 0.000 0.814 959 L CB 0.409 42.370 42.059 -0.164 0.000 1.134 959 L HN 0.646 nan 8.230 nan 0.000 0.478 960 K N 1.967 122.209 120.400 -0.262 0.000 2.362 960 K HA 0.819 5.387 4.320 0.414 0.000 0.245 960 K C -1.076 175.370 176.600 -0.257 0.000 1.040 960 K CA -0.684 55.438 56.287 -0.276 0.000 0.961 960 K CB 0.610 32.822 32.500 -0.481 0.000 1.252 960 K HN 0.620 nan 8.250 nan 0.000 0.503 961 A N 0.765 123.480 122.820 -0.175 0.000 2.475 961 A HA 0.518 5.087 4.320 0.414 0.000 0.301 961 A C -0.931 176.688 177.584 0.060 0.000 1.059 961 A CA -1.038 50.884 52.037 -0.191 0.000 0.710 961 A CB 1.029 19.741 19.000 -0.480 0.000 1.288 961 A HN 0.598 nan 8.150 nan 0.000 0.408 962 L N 1.393 122.673 121.223 0.095 0.000 2.375 962 L HA 0.263 4.852 4.340 0.414 0.000 0.271 962 L C 0.561 177.604 176.870 0.288 0.000 1.107 962 L CA -0.788 54.188 54.840 0.227 0.000 0.806 962 L CB 0.967 43.128 42.059 0.170 0.000 1.146 962 L HN 0.790 nan 8.230 nan 0.000 0.447 963 D N 1.386 122.004 120.400 0.363 0.000 2.311 963 D HA -0.109 4.779 4.640 0.414 0.000 0.212 963 D C 0.918 177.375 176.300 0.262 0.000 0.972 963 D CA 0.901 55.126 54.000 0.375 0.000 0.887 963 D CB 0.100 41.056 40.800 0.261 0.000 0.915 963 D HN 0.175 nan 8.370 nan 0.000 0.497 964 L N 1.892 123.242 121.223 0.211 0.000 2.774 964 L HA -0.071 4.518 4.340 0.414 0.000 0.284 964 L C 0.988 177.968 176.870 0.184 0.000 1.149 964 L CA 0.671 55.613 54.840 0.170 0.000 1.069 964 L CB -0.966 41.180 42.059 0.146 0.000 1.407 964 L HN -0.042 nan 8.230 nan 0.000 0.460 965 T N 0.950 115.613 114.554 0.182 0.000 4.526 965 T HA -0.350 4.248 4.350 0.414 0.000 0.332 965 T C 1.229 176.057 174.700 0.212 0.000 0.846 965 T CA 1.875 64.087 62.100 0.188 0.000 1.955 965 T CB -0.493 68.479 68.868 0.173 0.000 2.056 965 T HN 0.862 nan 8.240 nan 0.000 0.866 966 Q N -0.947 118.979 119.800 0.209 0.000 2.063 966 Q HA 0.221 4.809 4.340 0.414 0.000 0.194 966 Q C 1.817 177.861 176.000 0.073 0.000 0.974 966 Q CA 1.927 57.815 55.803 0.141 0.000 0.827 966 Q CB -0.587 28.181 28.738 0.051 0.000 0.902 966 Q HN 0.820 nan 8.270 nan 0.000 0.462 967 W N 0.176 121.525 121.300 0.081 0.000 2.325 967 W HA -0.203 4.701 4.660 0.406 0.000 0.299 967 W C 1.702 178.237 176.519 0.027 0.000 1.215 967 W CA 0.478 57.858 57.345 0.058 0.000 1.244 967 W CB -0.151 29.377 29.460 0.114 0.000 1.140 967 W HN 0.233 nan 8.180 nan 0.000 0.523 968 L N -0.744 120.653 121.223 0.291 0.000 2.081 968 L HA -0.289 4.300 4.340 0.414 0.000 0.212 968 L C 2.355 179.280 176.870 0.092 0.000 1.080 968 L CA 1.872 56.815 54.840 0.172 0.000 0.754 968 L CB -1.435 40.711 42.059 0.146 0.000 0.893 968 L HN 0.057 nan 8.230 nan 0.000 0.433 969 M N -0.990 118.617 119.600 0.011 0.000 2.086 969 M HA -0.132 4.596 4.480 0.414 0.000 0.261 969 M C 2.227 178.456 176.300 -0.119 0.000 1.067 969 M CA 1.613 56.815 55.300 -0.164 0.000 1.116 969 M CB -0.467 31.820 32.600 -0.521 0.000 1.348 969 M HN -0.008 nan 8.290 nan 0.000 0.407 970 V N 0.711 120.598 119.914 -0.045 0.000 2.222 970 V HA -0.375 3.993 4.120 0.414 0.000 0.252 970 V C 2.475 178.632 176.094 0.105 0.000 1.060 970 V CA 2.551 64.885 62.300 0.058 0.000 1.027 970 V CB -1.026 30.987 31.823 0.317 0.000 0.644 970 V HN 0.605 nan 8.190 nan 0.000 0.448 971 L N -0.608 120.714 121.223 0.164 0.000 1.990 971 L HA -0.209 4.380 4.340 0.414 0.000 0.213 971 L C 2.542 179.455 176.870 0.072 0.000 1.072 971 L CA 1.663 56.571 54.840 0.113 0.000 0.755 971 L CB -0.787 41.335 42.059 0.105 0.000 0.889 971 L HN 0.236 nan 8.230 nan 0.000 0.432 972 K N 0.005 120.438 120.400 0.054 0.000 2.515 972 K HA -0.046 4.523 4.320 0.414 0.000 0.196 972 K C 1.541 178.160 176.600 0.032 0.000 1.038 972 K CA 0.756 57.067 56.287 0.041 0.000 0.967 972 K CB 0.051 32.572 32.500 0.035 0.000 0.780 972 K HN 0.213 nan 8.250 nan 0.000 0.483 973 I N -0.599 119.982 120.570 0.018 0.000 4.181 973 I HA 0.026 4.444 4.170 0.414 0.000 0.331 973 I C 0.955 177.114 176.117 0.070 0.000 1.312 973 I CA 0.540 61.845 61.300 0.008 0.000 1.146 973 I CB 0.299 38.245 38.000 -0.091 0.000 1.074 973 I HN -0.120 nan 8.210 nan 0.000 0.402 974 S N 0.339 116.093 115.700 0.090 0.000 2.783 974 S HA 0.142 4.861 4.470 0.414 0.000 0.205 974 S C 1.695 176.381 174.600 0.144 0.000 0.910 974 S CA -0.151 58.127 58.200 0.131 0.000 0.861 974 S CB 0.024 63.281 63.200 0.095 0.000 0.830 974 S HN 0.098 nan 8.310 nan 0.000 0.630 975 L N 2.360 123.634 121.223 0.086 0.000 2.166 975 L HA -0.199 4.390 4.340 0.414 0.000 0.228 975 L C -0.893 175.992 176.870 0.026 0.000 1.101 975 L CA 2.242 57.111 54.840 0.050 0.000 0.821 975 L CB -2.991 39.091 42.059 0.038 0.000 0.908 975 L HN 0.237 nan 8.230 nan 0.000 0.447 976 P HA -0.153 nan 4.420 nan 0.000 0.219 976 P C 2.075 179.278 177.300 -0.161 0.000 1.144 976 P CA 1.007 64.084 63.100 -0.039 0.000 0.806 976 P CB -0.029 31.671 31.700 0.001 0.000 0.771 977 V N -0.202 119.631 119.914 -0.135 0.000 2.324 977 V HA -0.287 4.081 4.120 0.414 0.000 0.250 977 V C 2.022 178.018 176.094 -0.163 0.000 1.060 977 V CA 1.823 63.983 62.300 -0.233 0.000 1.042 977 V CB -0.932 30.914 31.823 0.039 0.000 0.650 977 V HN 0.021 nan 8.190 nan 0.000 0.450 978 I N 0.432 120.951 120.570 -0.084 0.000 2.151 978 I HA -0.205 4.214 4.170 0.414 0.000 0.243 978 I C 2.628 178.695 176.117 -0.084 0.000 1.080 978 I CA 1.764 63.021 61.300 -0.072 0.000 1.339 978 I CB -1.268 36.704 38.000 -0.046 0.000 1.039 978 I HN 0.473 nan 8.210 nan 0.000 0.409 979 G N 1.435 110.183 108.800 -0.087 0.000 2.480 979 G HA2 -0.308 3.900 3.960 0.414 0.000 0.216 979 G HA3 -0.308 3.900 3.960 0.414 0.000 0.216 979 G C 1.647 176.486 174.900 -0.102 0.000 1.200 979 G CA 1.036 46.089 45.100 -0.077 0.000 0.782 979 G HN 0.321 nan 8.290 nan 0.000 0.554 980 L N 1.065 122.181 121.223 -0.178 0.000 2.021 980 L HA -0.134 4.455 4.340 0.414 0.000 0.215 980 L C 2.054 178.836 176.870 -0.147 0.000 1.074 980 L CA 2.915 57.633 54.840 -0.203 0.000 0.760 980 L CB -0.963 40.872 42.059 -0.373 0.000 0.889 980 L HN 0.358 nan 8.230 nan 0.000 0.433 981 D N -0.809 119.501 120.400 -0.151 0.000 2.120 981 D HA -0.260 4.628 4.640 0.414 0.000 0.216 981 D C 2.037 178.291 176.300 -0.077 0.000 0.999 981 D CA 1.563 55.484 54.000 -0.133 0.000 0.903 981 D CB -0.184 40.542 40.800 -0.123 0.000 1.104 981 D HN 0.424 nan 8.370 nan 0.000 0.466 982 E N -0.367 119.799 120.200 -0.056 0.000 2.245 982 E HA -0.239 4.359 4.350 0.414 0.000 0.217 982 E C 2.032 178.660 176.600 0.046 0.000 1.069 982 E CA 1.339 57.737 56.400 -0.004 0.000 0.877 982 E CB -0.292 29.410 29.700 0.003 0.000 0.757 982 E HN 0.349 nan 8.360 nan 0.000 0.464 983 I N -0.079 120.506 120.570 0.024 0.000 2.058 983 I HA -0.285 4.134 4.170 0.414 0.000 0.235 983 I C 2.446 178.628 176.117 0.109 0.000 1.053 983 I CA 1.407 62.742 61.300 0.057 0.000 1.313 983 I CB -1.296 36.720 38.000 0.026 0.000 1.039 983 I HN 0.224 nan 8.210 nan 0.000 0.396 984 L N 0.094 121.371 121.223 0.090 0.000 2.191 984 L HA -0.218 4.371 4.340 0.414 0.000 0.212 984 L C 2.601 179.596 176.870 0.209 0.000 1.103 984 L CA 1.093 56.046 54.840 0.188 0.000 0.769 984 L CB -0.476 41.603 42.059 0.034 0.000 0.908 984 L HN 0.313 nan 8.230 nan 0.000 0.438 985 K N 0.216 120.655 120.400 0.065 0.000 1.985 985 K HA -0.164 4.405 4.320 0.414 0.000 0.210 985 K C 1.348 177.955 176.600 0.011 0.000 1.047 985 K CA 1.581 57.858 56.287 -0.017 0.000 0.932 985 K CB -0.075 32.355 32.500 -0.116 0.000 0.716 985 K HN 0.130 nan 8.250 nan 0.000 0.439 986 F N 0.504 120.483 119.950 0.050 0.000 2.798 986 F HA 0.171 4.948 4.527 0.415 0.000 0.291 986 F C 1.145 176.964 175.800 0.032 0.000 1.174 986 F CA -0.400 57.620 58.000 0.034 0.000 1.392 986 F CB 0.443 39.449 39.000 0.010 0.000 0.966 986 F HN 0.078 nan 8.300 nan 0.000 0.509 987 I N -0.032 120.683 120.570 0.241 0.000 3.810 987 I HA 0.069 4.487 4.170 0.414 0.000 0.322 987 I C 1.787 177.901 176.117 -0.005 0.000 1.288 987 I CA 0.353 61.730 61.300 0.128 0.000 1.143 987 I CB 0.054 38.164 38.000 0.183 0.000 1.012 987 I HN 0.165 nan 8.210 nan 0.000 0.423 988 A N 0.526 123.393 122.820 0.079 0.000 2.178 988 A HA 0.013 4.581 4.320 0.414 0.000 0.211 988 A C 2.194 179.821 177.584 0.073 0.000 1.157 988 A CA 0.274 52.324 52.037 0.022 0.000 0.780 988 A CB -0.255 18.799 19.000 0.089 0.000 0.828 988 A HN 0.400 nan 8.150 nan 0.000 0.476 989 R N 0.236 120.797 120.500 0.100 0.000 2.081 989 R HA -0.063 4.526 4.340 0.414 0.000 0.235 989 R C 0.789 177.095 176.300 0.009 0.000 1.131 989 R CA 1.267 57.393 56.100 0.043 0.000 0.960 989 R CB -0.307 29.988 30.300 -0.008 0.000 0.856 989 R HN 0.364 nan 8.270 nan 0.000 0.436 990 N N -0.214 118.488 118.700 0.003 0.000 2.485 990 N HA -0.106 4.882 4.740 0.414 0.000 0.199 990 N C -0.266 175.279 175.510 0.058 0.000 1.236 990 N CA 0.694 53.744 53.050 -0.001 0.000 0.852 990 N CB 0.327 38.799 38.487 -0.024 0.000 1.018 990 N HN 0.252 nan 8.380 nan 0.000 0.457 991 Y N -0.250 119.962 120.300 -0.147 0.000 2.825 991 Y HA 0.284 5.082 4.550 0.414 0.000 0.259 991 Y C -0.182 175.654 175.900 -0.107 0.000 1.113 991 Y CA -0.459 57.541 58.100 -0.167 0.000 1.241 991 Y CB -0.005 38.284 38.460 -0.286 0.000 1.331 991 Y HN -0.132 nan 8.280 nan 0.000 0.570 992 L N 1.934 123.096 121.223 -0.101 0.000 3.709 992 L HA -0.275 4.314 4.340 0.414 0.000 0.626 992 L C -0.274 176.548 176.870 -0.080 0.000 1.119 992 L CA 1.448 56.224 54.840 -0.107 0.000 0.996 992 L CB -0.882 41.078 42.059 -0.165 0.000 1.327 992 L HN 0.489 nan 8.230 nan 0.000 0.808 993 E N 0.752 120.949 120.200 -0.005 0.000 2.354 993 E HA 0.724 5.323 4.350 0.414 0.000 0.283 993 E C -0.120 176.513 176.600 0.055 0.000 0.938 993 E CA -0.068 56.346 56.400 0.023 0.000 0.777 993 E CB 2.268 32.002 29.700 0.056 0.000 1.222 993 E HN 0.410 nan 8.360 nan 0.000 0.423 994 G N 0.000 108.826 108.800 0.044 0.000 5.446 994 G HA2 0.000 4.209 3.960 0.414 0.000 0.244 994 G HA3 0.000 4.209 3.960 0.414 0.000 0.244 994 G CA 0.000 45.134 45.100 0.056 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925