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 2xgj_1_A DATA FIRST_RESID 80 DATA SEQUENCE MLADSFEQEA SREVDASKGL TNSETLQVEQ DGKVRLSHQV RHQVALPPNY DATA SEQUENCE DYTPIAEHKR VNEARTYPFT LDPFQDTAIS CIDRGESVLV SAHTSAGKTV DATA SEQUENCE VAEYAIAQSL KNKQRVIYTS PIKALSNQKY RELLAEFGDV GLMTGDITIN DATA SEQUENCE PDAGCLVMTT EILRSMLYRG SEVMREVAWV IFDEVHYMRD KERGVVWEET DATA SEQUENCE IILLPDKVRY VFLSATIPNA MEFAEWICKI HSQPCHIVYT NFRPTPLQHY DATA SEQUENCE LFPAHGDGIY LVVDEKSTFR EENFQKAMAS ISXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGDIYKIVK MIWKKKYNPV IVFSFSKRDC EELALKMSKL DATA SEQUENCE DFNSDDEKEA LTKIFNNAIA LLPETDRELP QIKHILPLLR RGIGIHHSGL DATA SEQUENCE LPILKEVIEI LFQEGFLKVL FATETFSIGL NMPAKTVVFT SVRKWDGQQF DATA SEQUENCE RWVSGGEYIQ MSGRAGRRGL DDRGIVIMMI DEKMEPQVAK GMVKGQADRL DATA SEQUENCE DSAFHLGYNM ILNLMRVEGI SPEFMLEHSF FQFQNVISVP VMEKKLAELK DATA SEQUENCE KDFDGIEVED EENVKEYHEI EQAIKGYRED VRQVVTHPAN ALSFLQPGRL DATA SEQUENCE VEISVNGKDN YGWGAVVDFA KRINKRNPSA VYTDHESYIV NVVVNTMYID DATA SEQUENCE SPVNLLKPFN PTLPEGIRPA EEGEKSICAV IPITLDSIKS IGNLRLYMPK DATA SEQUENCE DIRASGQKET VGKSLREVNR RFPDGIPVLD PVKNMKIEDE DFLKLMKKID DATA SEQUENCE VLNTKLSSNP LTNSMRLEEL YGKYSRKHDL HEDMKQLKRK ISESQAVIQL DATA SEQUENCE DDLRRRKRVL RRLGFCTPND IIELKGRVAC EISSGDELLL TELIFNGNFN DATA SEQUENCE ELKPEQAAAL LSCFAFQERC KEAPRLKPEL AEPLKAMREI AAKIAKIMKD DATA SEQUENCE SKIEVVEKDY VESFRHELME VVYEWCRGAT FTQICKMTDV YEGSLIRMFK DATA SEQUENCE RLEELVKELV DVANTIGNSS LKEKMEAVLK LIHRDIVSAG SLYL 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 80 M HA 0.000 nan 4.480 nan 0.000 0.227 80 M C 0.000 176.259 176.300 -0.069 0.000 1.140 80 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 80 M CB 0.000 32.585 32.600 -0.026 0.000 1.302 81 L N 1.036 122.220 121.223 -0.066 0.000 2.330 81 L HA 1.098 5.418 4.340 -0.033 0.000 0.271 81 L C 0.092 176.907 176.870 -0.092 0.000 1.013 81 L CA -0.787 53.995 54.840 -0.096 0.000 0.816 81 L CB 1.797 43.811 42.059 -0.075 0.000 1.287 81 L HN 0.916 nan 8.230 nan 0.000 0.435 82 A N 0.215 122.959 122.820 -0.126 0.000 2.536 82 A HA 0.528 4.828 4.320 -0.033 0.000 0.293 82 A C -0.835 176.736 177.584 -0.022 0.000 1.119 82 A CA -0.280 51.714 52.037 -0.071 0.000 0.654 82 A CB 1.090 20.032 19.000 -0.097 0.000 1.291 82 A HN 0.734 nan 8.150 nan 0.000 0.439 83 D N -0.380 120.097 120.400 0.127 0.000 2.689 83 D HA -0.134 4.486 4.640 -0.033 0.000 0.237 83 D C 0.025 176.506 176.300 0.301 0.000 1.148 83 D CA 1.495 55.690 54.000 0.324 0.000 0.656 83 D CB -0.979 40.132 40.800 0.519 0.000 1.050 83 D HN 0.940 nan 8.370 nan 0.000 0.426 84 S N 1.029 116.831 115.700 0.171 0.000 2.430 84 S HA 0.616 5.067 4.470 -0.033 0.000 0.289 84 S C -0.495 174.223 174.600 0.197 0.000 1.143 84 S CA -0.656 57.584 58.200 0.066 0.000 1.067 84 S CB 0.025 63.231 63.200 0.010 0.000 0.964 84 S HN 0.333 nan 8.310 nan 0.000 0.485 85 F N 1.811 121.866 119.950 0.175 0.000 2.619 85 F HA 0.683 5.191 4.527 -0.033 0.000 0.308 85 F C -0.820 175.058 175.800 0.130 0.000 1.097 85 F CA -1.151 56.930 58.000 0.135 0.000 0.953 85 F CB 1.112 40.190 39.000 0.131 0.000 1.287 85 F HN 0.467 nan 8.300 nan 0.000 0.446 86 E N 1.906 122.300 120.200 0.324 0.000 2.191 86 E HA 0.388 4.719 4.350 -0.033 0.000 0.274 86 E C -1.610 175.163 176.600 0.287 0.000 0.948 86 E CA -0.765 55.779 56.400 0.241 0.000 0.802 86 E CB 1.797 31.578 29.700 0.135 0.000 1.137 86 E HN 0.822 nan 8.360 nan 0.000 0.397 87 Q N 3.053 123.003 119.800 0.249 0.000 2.337 87 Q HA 0.228 4.548 4.340 -0.033 0.000 0.270 87 Q C -1.451 174.587 176.000 0.063 0.000 1.043 87 Q CA -0.810 55.093 55.803 0.167 0.000 0.794 87 Q CB 1.789 30.652 28.738 0.209 0.000 1.281 87 Q HN 0.468 nan 8.270 nan 0.000 0.446 88 E N 1.841 122.049 120.200 0.013 0.000 2.283 88 E HA 0.612 4.942 4.350 -0.033 0.000 0.278 88 E C -1.637 174.886 176.600 -0.128 0.000 1.027 88 E CA -0.092 56.278 56.400 -0.050 0.000 0.843 88 E CB 1.430 31.116 29.700 -0.022 0.000 1.062 88 E HN 0.598 nan 8.360 nan 0.000 0.401 89 A N 3.082 125.728 122.820 -0.290 0.000 2.401 89 A HA 0.750 5.050 4.320 -0.033 0.000 0.310 89 A C -0.937 176.492 177.584 -0.259 0.000 1.075 89 A CA -0.591 51.225 52.037 -0.368 0.000 0.746 89 A CB 1.997 20.558 19.000 -0.732 0.000 1.277 89 A HN 0.467 nan 8.150 nan 0.000 0.425 90 S N -0.122 115.528 115.700 -0.084 0.000 2.546 90 S HA 0.735 5.185 4.470 -0.033 0.000 0.272 90 S C -0.683 173.960 174.600 0.071 0.000 1.140 90 S CA -0.676 57.538 58.200 0.024 0.000 0.920 90 S CB 0.930 64.138 63.200 0.014 0.000 1.083 90 S HN 1.140 nan 8.310 nan 0.000 0.476 91 R N 2.184 122.754 120.500 0.116 0.000 2.869 91 R HA 0.727 5.047 4.340 -0.033 0.000 0.263 91 R C -1.310 175.043 176.300 0.087 0.000 1.066 91 R CA -1.108 55.056 56.100 0.106 0.000 0.960 91 R CB 1.179 31.568 30.300 0.149 0.000 1.221 91 R HN 0.487 nan 8.270 nan 0.000 0.474 92 E N 0.534 120.776 120.200 0.070 0.000 2.238 92 E HA 0.485 4.816 4.350 -0.033 0.000 0.267 92 E C -1.111 175.519 176.600 0.051 0.000 0.887 92 E CA -1.141 55.292 56.400 0.055 0.000 0.769 92 E CB 2.786 32.511 29.700 0.042 0.000 1.187 92 E HN 0.321 nan 8.360 nan 0.000 0.416 93 V N 1.261 121.200 119.914 0.042 0.000 3.001 93 V HA 0.229 4.329 4.120 -0.033 0.000 0.314 93 V C -0.388 175.719 176.094 0.022 0.000 1.099 93 V CA -1.172 61.146 62.300 0.030 0.000 0.989 93 V CB 2.048 33.886 31.823 0.025 0.000 1.040 93 V HN 0.627 nan 8.190 nan 0.000 0.434 94 D N 2.388 122.797 120.400 0.014 0.000 2.493 94 D HA 0.339 4.960 4.640 -0.033 0.000 0.240 94 D C 0.449 176.756 176.300 0.012 0.000 1.142 94 D CA 0.461 54.468 54.000 0.012 0.000 0.872 94 D CB 1.361 42.166 40.800 0.007 0.000 1.173 94 D HN 0.864 nan 8.370 nan 0.000 0.467 95 A N 2.439 125.269 122.820 0.017 0.000 2.448 95 A HA 0.375 4.675 4.320 -0.033 0.000 0.239 95 A C 0.448 178.046 177.584 0.022 0.000 1.080 95 A CA 0.035 52.084 52.037 0.020 0.000 0.779 95 A CB 0.552 19.565 19.000 0.021 0.000 1.026 95 A HN 0.386 nan 8.150 nan 0.000 0.499 96 S N -0.708 115.009 115.700 0.028 0.000 2.536 96 S HA 0.596 5.046 4.470 -0.033 0.000 0.271 96 S C 0.417 175.052 174.600 0.059 0.000 1.134 96 S CA 0.228 58.453 58.200 0.041 0.000 0.897 96 S CB 1.558 64.777 63.200 0.031 0.000 1.094 96 S HN 1.354 nan 8.310 nan 0.000 0.473 97 K N 1.767 122.214 120.400 0.078 0.000 2.354 97 K HA 0.573 4.874 4.320 -0.033 0.000 0.194 97 K C 1.610 178.295 176.600 0.142 0.000 1.038 97 K CA 1.294 57.634 56.287 0.088 0.000 1.052 97 K CB -1.105 31.433 32.500 0.064 0.000 0.861 97 K HN 1.963 nan 8.250 nan 0.000 0.535 98 G N 0.656 109.565 108.800 0.182 0.000 2.602 98 G HA2 -0.328 3.612 3.960 -0.033 0.000 0.310 98 G HA3 -0.328 3.612 3.960 -0.033 0.000 0.310 98 G C 0.890 175.936 174.900 0.244 0.000 1.183 98 G CA 0.761 46.032 45.100 0.285 0.000 0.979 98 G HN 0.654 nan 8.290 nan 0.000 0.545 99 L N 2.397 123.711 121.223 0.151 0.000 2.808 99 L HA 0.328 4.648 4.340 -0.033 0.000 0.246 99 L C 1.877 178.739 176.870 -0.013 0.000 1.153 99 L CA 0.611 55.407 54.840 -0.072 0.000 0.956 99 L CB 0.126 41.941 42.059 -0.407 0.000 1.270 99 L HN 0.826 nan 8.230 nan 0.000 0.528 100 T N -4.176 110.436 114.554 0.098 0.000 2.902 100 T HA 0.258 4.589 4.350 -0.033 0.000 0.287 100 T C 0.834 175.556 174.700 0.037 0.000 1.048 100 T CA -0.479 61.669 62.100 0.080 0.000 0.941 100 T CB 1.202 70.147 68.868 0.129 0.000 1.432 100 T HN -0.089 nan 8.240 nan 0.000 0.586 101 N N -0.210 118.509 118.700 0.031 0.000 2.332 101 N HA 0.192 4.912 4.740 -0.033 0.000 0.190 101 N C 0.481 176.005 175.510 0.023 0.000 1.117 101 N CA 0.221 53.281 53.050 0.017 0.000 0.883 101 N CB 0.434 38.925 38.487 0.006 0.000 1.089 101 N HN 0.783 nan 8.380 nan 0.000 0.480 102 S N -0.156 115.564 115.700 0.033 0.000 2.739 102 S HA 0.415 4.865 4.470 -0.033 0.000 0.306 102 S C -0.127 174.497 174.600 0.039 0.000 1.115 102 S CA -0.743 57.476 58.200 0.032 0.000 0.985 102 S CB 2.046 65.264 63.200 0.030 0.000 1.133 102 S HN -0.140 nan 8.310 nan 0.000 0.541 103 E N 1.636 121.856 120.200 0.034 0.000 2.324 103 E HA 0.107 4.438 4.350 -0.033 0.000 0.271 103 E C 1.236 177.858 176.600 0.036 0.000 1.028 103 E CA 0.332 56.753 56.400 0.035 0.000 0.890 103 E CB 1.249 30.966 29.700 0.028 0.000 1.004 103 E HN 0.864 nan 8.360 nan 0.000 0.431 104 T N 1.145 115.723 114.554 0.040 0.000 2.788 104 T HA -0.100 4.230 4.350 -0.033 0.000 0.268 104 T C 1.040 175.753 174.700 0.022 0.000 1.044 104 T CA 0.892 63.011 62.100 0.031 0.000 1.139 104 T CB 0.097 68.981 68.868 0.027 0.000 0.867 104 T HN 0.283 nan 8.240 nan 0.000 0.454 105 L N 1.028 122.265 121.223 0.023 0.000 2.362 105 L HA 0.635 4.955 4.340 -0.033 0.000 0.271 105 L C 0.483 177.367 176.870 0.023 0.000 1.002 105 L CA -1.275 53.578 54.840 0.022 0.000 0.818 105 L CB 1.585 43.658 42.059 0.023 0.000 1.298 105 L HN 0.250 nan 8.230 nan 0.000 0.420 106 Q N 2.165 121.978 119.800 0.023 0.000 2.239 106 Q HA 0.275 4.595 4.340 -0.033 0.000 0.286 106 Q C -0.259 175.754 176.000 0.022 0.000 1.102 106 Q CA 0.326 56.142 55.803 0.022 0.000 0.936 106 Q CB 0.436 29.186 28.738 0.021 0.000 1.127 106 Q HN 0.462 nan 8.270 nan 0.000 0.380 107 V N 2.040 121.967 119.914 0.021 0.000 3.264 107 V HA 0.467 4.568 4.120 -0.033 0.000 0.304 107 V C 0.139 176.245 176.094 0.020 0.000 1.086 107 V CA -0.189 62.124 62.300 0.021 0.000 1.090 107 V CB 1.942 33.777 31.823 0.020 0.000 1.112 107 V HN 1.102 nan 8.190 nan 0.000 0.472 108 E N 0.962 121.174 120.200 0.021 0.000 2.239 108 E HA 0.369 4.699 4.350 -0.033 0.000 0.261 108 E C 0.544 177.155 176.600 0.017 0.000 1.016 108 E CA -0.317 56.095 56.400 0.020 0.000 0.882 108 E CB 1.610 31.323 29.700 0.022 0.000 1.190 108 E HN 0.644 nan 8.360 nan 0.000 0.415 109 Q N 0.284 120.094 119.800 0.016 0.000 2.152 109 Q HA -0.166 4.155 4.340 -0.033 0.000 0.206 109 Q C 0.727 176.735 176.000 0.014 0.000 0.985 109 Q CA 1.913 57.724 55.803 0.014 0.000 0.863 109 Q CB -0.030 28.716 28.738 0.013 0.000 0.904 109 Q HN 0.484 nan 8.270 nan 0.000 0.422 110 D N -1.562 118.847 120.400 0.015 0.000 2.350 110 D HA 0.011 4.631 4.640 -0.033 0.000 0.216 110 D C 0.902 177.212 176.300 0.015 0.000 0.968 110 D CA 1.174 55.184 54.000 0.015 0.000 0.894 110 D CB -0.039 40.771 40.800 0.017 0.000 0.909 110 D HN 0.430 nan 8.370 nan 0.000 0.520 111 G N 0.262 109.072 108.800 0.016 0.000 2.131 111 G HA2 -0.227 3.713 3.960 -0.033 0.000 0.223 111 G HA3 -0.227 3.713 3.960 -0.033 0.000 0.223 111 G C 0.259 175.170 174.900 0.018 0.000 0.990 111 G CA -0.074 45.036 45.100 0.016 0.000 0.671 111 G HN 0.174 nan 8.290 nan 0.000 0.521 112 K N -0.485 119.927 120.400 0.020 0.000 2.306 112 K HA 0.818 5.118 4.320 -0.033 0.000 0.236 112 K C -0.230 176.385 176.600 0.025 0.000 1.013 112 K CA -0.877 55.424 56.287 0.023 0.000 0.857 112 K CB 2.401 34.916 32.500 0.025 0.000 1.214 112 K HN 0.199 nan 8.250 nan 0.000 0.449 113 V N 1.231 121.162 119.914 0.028 0.000 2.495 113 V HA 0.397 4.498 4.120 -0.033 0.000 0.298 113 V C -0.016 176.101 176.094 0.039 0.000 1.031 113 V CA -0.952 61.366 62.300 0.031 0.000 0.871 113 V CB 1.716 33.556 31.823 0.028 0.000 0.988 113 V HN 0.592 nan 8.190 nan 0.000 0.432 114 R N 4.648 125.173 120.500 0.042 0.000 2.229 114 R HA 0.687 5.007 4.340 -0.033 0.000 0.328 114 R C -1.464 174.874 176.300 0.064 0.000 1.009 114 R CA -0.409 55.722 56.100 0.052 0.000 0.864 114 R CB 0.629 30.955 30.300 0.045 0.000 1.085 114 R HN 0.705 nan 8.270 nan 0.000 0.453 115 L N 3.417 124.693 121.223 0.087 0.000 2.365 115 L HA 0.492 4.812 4.340 -0.033 0.000 0.273 115 L C -0.315 176.651 176.870 0.160 0.000 1.000 115 L CA -0.821 54.087 54.840 0.112 0.000 0.819 115 L CB 2.182 44.309 42.059 0.112 0.000 1.284 115 L HN 0.745 nan 8.230 nan 0.000 0.418 116 S N -0.033 115.762 115.700 0.158 0.000 2.566 116 S HA 0.839 5.289 4.470 -0.033 0.000 0.298 116 S C -0.925 173.819 174.600 0.241 0.000 1.083 116 S CA -0.776 57.517 58.200 0.155 0.000 0.978 116 S CB 1.902 65.142 63.200 0.067 0.000 1.073 116 S HN 0.808 nan 8.310 nan 0.000 0.491 117 H N -1.018 118.124 119.070 0.121 0.000 2.985 117 H HA 0.711 5.247 4.556 -0.033 0.000 0.360 117 H C -1.307 174.085 175.328 0.107 0.000 1.221 117 H CA -1.162 54.970 56.048 0.141 0.000 1.121 117 H CB 0.906 30.818 29.762 0.249 0.000 1.854 117 H HN 0.465 nan 8.280 nan 0.000 0.551 118 Q N 1.090 120.995 119.800 0.174 0.000 2.266 118 Q HA 0.516 4.837 4.340 -0.033 0.000 0.261 118 Q C -0.848 175.251 176.000 0.165 0.000 0.985 118 Q CA -1.133 54.741 55.803 0.118 0.000 0.873 118 Q CB 3.030 31.854 28.738 0.144 0.000 1.306 118 Q HN 0.513 nan 8.270 nan 0.000 0.447 119 V N 2.711 122.714 119.914 0.148 0.000 2.380 119 V HA 0.400 4.501 4.120 -0.033 0.000 0.286 119 V C -0.184 176.030 176.094 0.200 0.000 1.015 119 V CA -0.629 61.786 62.300 0.193 0.000 0.834 119 V CB 1.410 33.360 31.823 0.213 0.000 1.009 119 V HN 0.546 nan 8.190 nan 0.000 0.428 120 R N 3.138 123.756 120.500 0.197 0.000 2.474 120 R HA 0.573 4.893 4.340 -0.033 0.000 0.295 120 R C -0.654 175.658 176.300 0.021 0.000 0.980 120 R CA -0.624 55.533 56.100 0.094 0.000 0.934 120 R CB 1.550 31.897 30.300 0.078 0.000 1.101 120 R HN 0.783 nan 8.270 nan 0.000 0.469 121 H N 2.168 121.016 119.070 -0.369 0.000 2.768 121 H HA 0.384 4.921 4.556 -0.033 0.000 0.371 121 H C -1.531 173.570 175.328 -0.379 0.000 1.151 121 H CA -0.454 55.321 56.048 -0.455 0.000 1.165 121 H CB 2.381 31.601 29.762 -0.904 0.000 1.722 121 H HN 0.621 nan 8.280 nan 0.000 0.543 122 Q N 2.985 122.199 119.800 -0.976 0.000 2.527 122 Q HA 0.430 4.751 4.340 -0.033 0.000 0.280 122 Q C -2.222 173.421 176.000 -0.595 0.000 0.977 122 Q CA -0.705 54.718 55.803 -0.634 0.000 0.837 122 Q CB 3.023 31.586 28.738 -0.293 0.000 1.454 122 Q HN 0.440 nan 8.270 nan 0.000 0.387 123 V N 1.098 120.768 119.914 -0.406 0.000 2.789 123 V HA 0.948 5.049 4.120 -0.033 0.000 0.311 123 V C -1.478 174.413 176.094 -0.339 0.000 1.073 123 V CA -0.201 61.847 62.300 -0.420 0.000 0.921 123 V CB 1.909 33.380 31.823 -0.586 0.000 1.009 123 V HN 0.870 nan 8.190 nan 0.000 0.426 124 A N 6.944 129.582 122.820 -0.303 0.000 2.276 124 A HA 0.847 5.147 4.320 -0.033 0.000 0.316 124 A C -0.958 176.455 177.584 -0.284 0.000 1.229 124 A CA -0.521 51.380 52.037 -0.227 0.000 0.851 124 A CB 0.552 19.465 19.000 -0.145 0.000 1.165 124 A HN 0.849 nan 8.150 nan 0.000 0.513 125 L N 3.488 124.567 121.223 -0.240 0.000 2.346 125 L HA 0.465 4.785 4.340 -0.033 0.000 0.274 125 L C -2.322 174.472 176.870 -0.126 0.000 1.007 125 L CA -2.174 52.518 54.840 -0.247 0.000 0.818 125 L CB 2.311 44.242 42.059 -0.214 0.000 1.284 125 L HN 0.460 nan 8.230 nan 0.000 0.424 126 P HA 0.219 nan 4.420 nan 0.000 0.274 126 P C -2.549 174.787 177.300 0.060 0.000 1.237 126 P CA -1.332 61.762 63.100 -0.010 0.000 0.793 126 P CB -0.232 31.480 31.700 0.021 0.000 0.977 127 P HA -0.019 nan 4.420 nan 0.000 0.262 127 P C 0.049 177.407 177.300 0.096 0.000 1.182 127 P CA 0.684 63.821 63.100 0.061 0.000 0.761 127 P CB -0.155 31.570 31.700 0.043 0.000 0.795 128 N N -0.773 117.982 118.700 0.092 0.000 2.828 128 N HA -0.259 4.462 4.740 -0.033 0.000 0.248 128 N C -0.184 175.395 175.510 0.116 0.000 1.044 128 N CA 0.700 53.801 53.050 0.086 0.000 0.851 128 N CB -2.007 36.514 38.487 0.056 0.000 1.136 128 N HN 0.522 nan 8.380 nan 0.000 0.572 129 Y N 2.339 122.666 120.300 0.044 0.000 2.511 129 Y HA 0.110 4.640 4.550 -0.033 0.000 0.332 129 Y C 0.664 176.626 175.900 0.102 0.000 1.177 129 Y CA 0.171 58.311 58.100 0.068 0.000 1.422 129 Y CB 0.526 39.026 38.460 0.066 0.000 1.271 129 Y HN -0.044 nan 8.280 nan 0.000 0.550 130 D N 5.626 125.773 120.400 -0.422 0.000 2.393 130 D HA 0.062 4.682 4.640 -0.033 0.000 0.232 130 D C -1.609 174.663 176.300 -0.047 0.000 1.192 130 D CA 0.185 54.071 54.000 -0.191 0.000 0.882 130 D CB -0.555 40.111 40.800 -0.223 0.000 1.038 130 D HN 0.468 nan 8.370 nan 0.000 0.499 131 Y N 2.168 122.548 120.300 0.133 0.000 2.409 131 Y HA 0.490 5.020 4.550 -0.033 0.000 0.339 131 Y C -0.601 175.408 175.900 0.181 0.000 1.033 131 Y CA -0.595 57.673 58.100 0.280 0.000 1.094 131 Y CB 1.749 40.418 38.460 0.349 0.000 1.210 131 Y HN 0.119 nan 8.280 nan 0.000 0.456 132 T N 7.798 121.973 114.554 -0.633 0.000 2.829 132 T HA 0.370 4.700 4.350 -0.033 0.000 0.280 132 T C -2.825 171.469 174.700 -0.676 0.000 0.999 132 T CA -1.609 60.234 62.100 -0.428 0.000 0.983 132 T CB 1.475 70.227 68.868 -0.194 0.000 0.968 132 T HN 0.419 nan 8.240 nan 0.000 0.446 133 P HA 0.078 nan 4.420 nan 0.000 0.264 133 P C 0.683 178.012 177.300 0.049 0.000 1.183 133 P CA -0.209 62.950 63.100 0.099 0.000 0.763 133 P CB 0.413 32.188 31.700 0.126 0.000 0.807 134 I N 4.009 124.694 120.570 0.192 0.000 2.546 134 I HA -0.137 4.013 4.170 -0.033 0.000 0.255 134 I C 1.890 178.037 176.117 0.049 0.000 1.163 134 I CA 1.260 62.626 61.300 0.111 0.000 1.457 134 I CB -0.816 37.250 38.000 0.109 0.000 1.092 134 I HN 0.374 nan 8.210 nan 0.000 0.434 135 A N -0.390 122.435 122.820 0.009 0.000 2.014 135 A HA -0.137 4.163 4.320 -0.033 0.000 0.218 135 A C 2.117 179.678 177.584 -0.039 0.000 1.163 135 A CA 1.329 53.314 52.037 -0.087 0.000 0.652 135 A CB -0.592 18.247 19.000 -0.269 0.000 0.808 135 A HN 0.549 nan 8.150 nan 0.000 0.449 136 E N -1.008 119.189 120.200 -0.005 0.000 2.427 136 E HA -0.069 4.262 4.350 -0.033 0.000 0.196 136 E C 0.208 176.816 176.600 0.013 0.000 1.028 136 E CA -0.093 56.304 56.400 -0.006 0.000 0.864 136 E CB -0.140 29.557 29.700 -0.004 0.000 0.813 136 E HN 0.810 nan 8.360 nan 0.000 0.514 137 H N 1.807 120.850 119.070 -0.044 0.000 2.886 137 H HA 0.038 4.575 4.556 -0.033 0.000 0.329 137 H C -0.507 174.803 175.328 -0.031 0.000 1.044 137 H CA 0.153 56.180 56.048 -0.034 0.000 1.456 137 H CB 0.398 30.142 29.762 -0.030 0.000 1.464 137 H HN -0.309 nan 8.280 nan 0.000 0.573 138 K N 5.768 125.848 120.400 -0.534 0.000 2.394 138 K HA 0.266 4.566 4.320 -0.033 0.000 0.260 138 K C -0.292 176.024 176.600 -0.474 0.000 0.967 138 K CA -0.589 55.488 56.287 -0.350 0.000 0.855 138 K CB 1.544 33.924 32.500 -0.200 0.000 1.101 138 K HN 0.706 nan 8.250 nan 0.000 0.433 139 R N 1.887 122.270 120.500 -0.194 0.000 2.248 139 R HA 0.054 4.374 4.340 -0.033 0.000 0.328 139 R C 1.608 177.896 176.300 -0.019 0.000 1.067 139 R CA -0.220 55.865 56.100 -0.025 0.000 0.924 139 R CB 0.460 30.836 30.300 0.127 0.000 1.013 139 R HN 0.450 nan 8.270 nan 0.000 0.454 140 V N 0.132 120.036 119.914 -0.016 0.000 2.407 140 V HA 0.015 4.115 4.120 -0.033 0.000 0.245 140 V C 0.419 176.523 176.094 0.017 0.000 1.041 140 V CA 0.920 63.214 62.300 -0.009 0.000 1.040 140 V CB -0.110 31.705 31.823 -0.014 0.000 0.671 140 V HN 0.535 nan 8.190 nan 0.000 0.455 141 N N 1.434 120.159 118.700 0.043 0.000 2.399 141 N HA 0.380 5.101 4.740 -0.033 0.000 0.280 141 N C -1.017 174.541 175.510 0.080 0.000 1.008 141 N CA -0.332 52.743 53.050 0.042 0.000 0.894 141 N CB 1.586 40.088 38.487 0.025 0.000 1.273 141 N HN 0.502 nan 8.380 nan 0.000 0.486 142 E N 1.176 121.417 120.200 0.069 0.000 2.229 142 E HA 0.205 4.535 4.350 -0.033 0.000 0.283 142 E C 0.398 176.971 176.600 -0.046 0.000 1.030 142 E CA -0.301 56.170 56.400 0.118 0.000 0.836 142 E CB 1.411 31.177 29.700 0.109 0.000 1.068 142 E HN 0.601 nan 8.360 nan 0.000 0.401 143 A N 4.190 126.868 122.820 -0.236 0.000 2.168 143 A HA -0.088 4.212 4.320 -0.033 0.000 0.215 143 A C 1.045 178.372 177.584 -0.427 0.000 1.152 143 A CA 0.929 52.711 52.037 -0.424 0.000 0.716 143 A CB 0.092 18.683 19.000 -0.681 0.000 0.794 143 A HN 0.528 nan 8.150 nan 0.000 0.465 144 R N -2.189 118.072 120.500 -0.398 0.000 2.604 144 R HA 0.397 4.717 4.340 -0.033 0.000 0.261 144 R C -1.435 174.633 176.300 -0.387 0.000 1.080 144 R CA -0.103 55.777 56.100 -0.366 0.000 0.917 144 R CB 0.930 30.997 30.300 -0.388 0.000 1.252 144 R HN 0.136 nan 8.270 nan 0.000 0.456 145 T N 1.626 115.873 114.554 -0.511 0.000 2.950 145 T HA 0.701 5.031 4.350 -0.033 0.000 0.288 145 T C -1.587 172.632 174.700 -0.802 0.000 1.035 145 T CA -0.288 61.527 62.100 -0.475 0.000 1.028 145 T CB 0.689 69.413 68.868 -0.239 0.000 1.109 145 T HN 0.376 nan 8.240 nan 0.000 0.514 146 Y N 1.482 121.644 120.300 -0.229 0.000 2.512 146 Y HA 0.401 4.931 4.550 -0.033 0.000 0.348 146 Y C -1.576 174.018 175.900 -0.510 0.000 0.990 146 Y CA -2.000 55.806 58.100 -0.490 0.000 1.033 146 Y CB 1.310 39.323 38.460 -0.745 0.000 1.259 146 Y HN 0.480 nan 8.280 nan 0.000 0.461 147 P HA -0.114 nan 4.420 nan 0.000 0.217 147 P C -0.289 176.933 177.300 -0.130 0.000 1.150 147 P CA 1.267 64.239 63.100 -0.213 0.000 0.832 147 P CB 0.072 31.712 31.700 -0.099 0.000 0.787 148 F N -2.248 117.758 119.950 0.093 0.000 2.410 148 F HA 0.571 5.078 4.527 -0.033 0.000 0.324 148 F C 0.445 176.275 175.800 0.050 0.000 1.093 148 F CA -1.308 56.726 58.000 0.057 0.000 1.028 148 F CB -0.845 38.179 39.000 0.040 0.000 1.309 148 F HN -0.493 nan 8.300 nan 0.000 0.499 149 T N 2.661 117.400 114.554 0.309 0.000 2.780 149 T HA 0.411 4.741 4.350 -0.033 0.000 0.294 149 T C 0.117 174.933 174.700 0.193 0.000 0.949 149 T CA -0.496 61.713 62.100 0.181 0.000 1.074 149 T CB 0.408 69.338 68.868 0.104 0.000 0.910 149 T HN 0.411 nan 8.240 nan 0.000 0.501 150 L N 3.161 124.454 121.223 0.116 0.000 2.461 150 L HA 0.180 4.500 4.340 -0.033 0.000 0.272 150 L C 1.188 178.032 176.870 -0.044 0.000 1.197 150 L CA -0.267 54.586 54.840 0.022 0.000 0.836 150 L CB 0.297 42.326 42.059 -0.051 0.000 1.105 150 L HN 0.635 nan 8.230 nan 0.000 0.477 151 D N 3.232 123.559 120.400 -0.122 0.000 2.339 151 D HA 0.095 4.715 4.640 -0.033 0.000 0.245 151 D C -1.725 174.508 176.300 -0.112 0.000 1.115 151 D CA -1.546 52.390 54.000 -0.107 0.000 0.917 151 D CB 2.029 42.791 40.800 -0.062 0.000 1.192 151 D HN 0.231 nan 8.370 nan 0.000 0.428 152 P HA -0.165 nan 4.420 nan 0.000 0.217 152 P C 1.324 178.656 177.300 0.054 0.000 1.151 152 P CA 1.276 64.390 63.100 0.024 0.000 0.849 152 P CB -0.176 31.564 31.700 0.066 0.000 0.787 153 F N -0.215 119.744 119.950 0.015 0.000 2.293 153 F HA -0.078 4.429 4.527 -0.033 0.000 0.300 153 F C 1.901 177.710 175.800 0.015 0.000 1.086 153 F CA 1.044 59.066 58.000 0.038 0.000 1.375 153 F CB -1.251 37.773 39.000 0.040 0.000 1.045 153 F HN -0.088 nan 8.300 nan 0.000 0.516 154 Q N 0.368 119.555 119.800 -1.021 0.000 2.096 154 Q HA -0.161 4.160 4.340 -0.033 0.000 0.197 154 Q C 1.996 177.768 176.000 -0.380 0.000 0.964 154 Q CA 1.354 56.653 55.803 -0.840 0.000 0.838 154 Q CB -0.412 27.843 28.738 -0.804 0.000 0.906 154 Q HN 0.511 nan 8.270 nan 0.000 0.444 155 D N -0.097 120.147 120.400 -0.260 0.000 2.117 155 D HA -0.135 4.485 4.640 -0.033 0.000 0.197 155 D C 1.509 177.731 176.300 -0.130 0.000 0.987 155 D CA 1.345 55.249 54.000 -0.160 0.000 0.829 155 D CB 0.331 41.075 40.800 -0.093 0.000 0.961 155 D HN 0.174 nan 8.370 nan 0.000 0.460 156 T N 0.513 115.018 114.554 -0.082 0.000 2.674 156 T HA -0.093 4.237 4.350 -0.033 0.000 0.265 156 T C 2.030 176.679 174.700 -0.085 0.000 1.039 156 T CA 1.614 63.688 62.100 -0.043 0.000 1.150 156 T CB -0.369 68.534 68.868 0.058 0.000 0.864 156 T HN 0.228 nan 8.240 nan 0.000 0.427 157 A N 1.072 123.851 122.820 -0.068 0.000 1.940 157 A HA -0.037 4.263 4.320 -0.033 0.000 0.219 157 A C 2.287 179.779 177.584 -0.154 0.000 1.176 157 A CA 1.267 53.269 52.037 -0.059 0.000 0.631 157 A CB -0.813 18.181 19.000 -0.010 0.000 0.814 157 A HN 0.543 nan 8.150 nan 0.000 0.446 158 I N -0.414 120.006 120.570 -0.249 0.000 2.439 158 I HA -0.165 3.985 4.170 -0.033 0.000 0.251 158 I C 2.425 178.312 176.117 -0.383 0.000 1.139 158 I CA 1.143 62.180 61.300 -0.439 0.000 1.438 158 I CB -0.196 37.431 38.000 -0.621 0.000 1.085 158 I HN 0.224 nan 8.210 nan 0.000 0.427 159 S N 0.055 115.604 115.700 -0.250 0.000 2.402 159 S HA -0.162 4.289 4.470 -0.033 0.000 0.229 159 S C 2.167 176.581 174.600 -0.311 0.000 1.021 159 S CA 1.139 59.199 58.200 -0.232 0.000 0.974 159 S CB -0.315 62.806 63.200 -0.132 0.000 0.800 159 S HN 0.497 nan 8.310 nan 0.000 0.484 160 C N 1.523 120.676 119.300 -0.244 0.000 2.432 160 C HA -0.002 4.438 4.460 -0.033 0.000 0.277 160 C C 2.427 177.419 174.990 0.004 0.000 1.249 160 C CA 0.309 59.208 59.018 -0.198 0.000 1.725 160 C CB -1.369 26.226 27.740 -0.242 0.000 2.028 160 C HN 0.559 nan 8.230 nan 0.000 0.477 161 I N 1.159 121.717 120.570 -0.019 0.000 2.226 161 I HA -0.195 3.955 4.170 -0.033 0.000 0.245 161 I C 2.249 178.448 176.117 0.138 0.000 1.100 161 I CA 2.088 63.400 61.300 0.021 0.000 1.374 161 I CB -0.700 37.133 38.000 -0.278 0.000 1.057 161 I HN 0.327 nan 8.210 nan 0.000 0.413 162 D N 0.809 121.242 120.400 0.055 0.000 2.221 162 D HA -0.210 4.410 4.640 -0.033 0.000 0.204 162 D C 2.243 178.617 176.300 0.124 0.000 0.982 162 D CA 1.238 55.329 54.000 0.152 0.000 0.857 162 D CB 0.050 40.940 40.800 0.150 0.000 0.934 162 D HN 0.092 nan 8.370 nan 0.000 0.475 163 R N -1.503 119.009 120.500 0.021 0.000 2.312 163 R HA 0.219 4.539 4.340 -0.033 0.000 0.205 163 R C 1.049 177.447 176.300 0.163 0.000 0.904 163 R CA 0.649 56.773 56.100 0.039 0.000 1.052 163 R CB 0.515 30.745 30.300 -0.116 0.000 1.014 163 R HN 0.201 nan 8.270 nan 0.000 0.503 164 G N 1.281 110.247 108.800 0.276 0.000 2.149 164 G HA2 -0.251 3.689 3.960 -0.033 0.000 0.235 164 G HA3 -0.251 3.689 3.960 -0.033 0.000 0.235 164 G C -0.575 174.425 174.900 0.166 0.000 1.018 164 G CA -0.043 45.224 45.100 0.279 0.000 0.728 164 G HN 0.390 nan 8.290 nan 0.000 0.508 165 E N 0.674 121.045 120.200 0.285 0.000 2.158 165 E HA 0.536 4.866 4.350 -0.033 0.000 0.271 165 E C 0.136 176.960 176.600 0.372 0.000 0.911 165 E CA -0.598 55.970 56.400 0.280 0.000 0.767 165 E CB 1.447 31.399 29.700 0.419 0.000 1.120 165 E HN 0.168 nan 8.360 nan 0.000 0.405 166 S N 1.272 117.137 115.700 0.276 0.000 2.566 166 S HA 0.158 4.608 4.470 -0.033 0.000 0.280 166 S C -0.284 174.599 174.600 0.471 0.000 1.343 166 S CA -0.418 58.005 58.200 0.371 0.000 1.036 166 S CB 0.931 64.358 63.200 0.378 0.000 0.866 166 S HN 0.355 nan 8.310 nan 0.000 0.526 167 V N 3.703 123.893 119.914 0.460 0.000 2.851 167 V HA 0.596 4.697 4.120 -0.033 0.000 0.307 167 V C -1.644 174.726 176.094 0.461 0.000 1.129 167 V CA -0.937 61.618 62.300 0.425 0.000 0.932 167 V CB 2.003 34.002 31.823 0.294 0.000 1.024 167 V HN 0.715 nan 8.190 nan 0.000 0.426 168 L N 7.639 129.117 121.223 0.425 0.000 2.280 168 L HA 0.719 5.040 4.340 -0.033 0.000 0.287 168 L C -0.829 176.189 176.870 0.247 0.000 1.023 168 L CA 0.109 55.174 54.840 0.374 0.000 0.819 168 L CB 1.522 43.731 42.059 0.249 0.000 1.212 168 L HN 0.488 nan 8.230 nan 0.000 0.420 169 V N 4.287 124.338 119.914 0.228 0.000 2.350 169 V HA 0.424 4.525 4.120 -0.033 0.000 0.276 169 V C 0.347 176.509 176.094 0.113 0.000 1.028 169 V CA -0.290 62.128 62.300 0.197 0.000 0.860 169 V CB 1.024 32.989 31.823 0.237 0.000 0.990 169 V HN 0.848 nan 8.190 nan 0.000 0.453 170 S N 4.249 119.981 115.700 0.052 0.000 2.532 170 S HA 0.826 5.276 4.470 -0.033 0.000 0.318 170 S C -0.215 174.197 174.600 -0.313 0.000 1.083 170 S CA 0.086 58.255 58.200 -0.051 0.000 1.131 170 S CB 0.462 63.721 63.200 0.098 0.000 0.973 170 S HN 1.110 nan 8.310 nan 0.000 0.468 171 A N 3.889 126.521 122.820 -0.312 0.000 2.609 171 A HA 0.672 4.972 4.320 -0.033 0.000 0.291 171 A C -1.062 176.315 177.584 -0.345 0.000 1.096 171 A CA -0.835 50.911 52.037 -0.485 0.000 0.684 171 A CB 0.559 19.224 19.000 -0.558 0.000 1.282 171 A HN 0.889 nan 8.150 nan 0.000 0.412 172 H N 0.137 119.060 119.070 -0.245 0.000 2.822 172 H HA 0.194 4.730 4.556 -0.033 0.000 0.373 172 H C 1.907 177.166 175.328 -0.114 0.000 1.223 172 H CA 1.082 57.026 56.048 -0.174 0.000 1.436 172 H CB 0.789 30.434 29.762 -0.195 0.000 1.439 172 H HN 0.848 nan 8.280 nan 0.000 0.618 173 T N -2.228 112.371 114.554 0.075 0.000 2.803 173 T HA -0.236 4.095 4.350 -0.033 0.000 0.269 173 T C 2.088 176.805 174.700 0.028 0.000 1.052 173 T CA 1.511 63.640 62.100 0.049 0.000 1.136 173 T CB -0.314 68.579 68.868 0.042 0.000 0.864 173 T HN 0.459 nan 8.240 nan 0.000 0.467 174 S N 0.357 116.049 115.700 -0.013 0.000 2.528 174 S HA 0.405 4.855 4.470 -0.033 0.000 0.219 174 S C 2.274 176.859 174.600 -0.024 0.000 0.985 174 S CA 0.586 58.761 58.200 -0.041 0.000 0.914 174 S CB -0.710 62.426 63.200 -0.107 0.000 0.776 174 S HN 0.705 nan 8.310 nan 0.000 0.526 175 A N 1.106 123.927 122.820 0.002 0.000 1.859 175 A HA 0.290 4.591 4.320 -0.033 0.000 0.217 175 A C 1.641 179.388 177.584 0.272 0.000 1.198 175 A CA 1.502 53.605 52.037 0.110 0.000 0.629 175 A CB -1.086 17.895 19.000 -0.032 0.000 0.830 175 A HN 1.389 nan 8.150 nan 0.000 0.446 176 G N -1.886 107.067 108.800 0.256 0.000 2.370 176 G HA2 -0.007 3.933 3.960 -0.033 0.000 0.225 176 G HA3 -0.007 3.933 3.960 -0.033 0.000 0.225 176 G C 0.318 175.363 174.900 0.242 0.000 1.109 176 G CA 0.391 45.615 45.100 0.207 0.000 0.871 176 G HN 0.354 nan 8.290 nan 0.000 0.498 177 K N -0.326 120.222 120.400 0.247 0.000 2.288 177 K HA 0.001 4.302 4.320 -0.033 0.000 0.201 177 K C 2.404 179.111 176.600 0.179 0.000 1.048 177 K CA 1.472 57.899 56.287 0.234 0.000 0.956 177 K CB 0.025 32.649 32.500 0.208 0.000 0.746 177 K HN 0.312 nan 8.250 nan 0.000 0.461 178 T N 0.867 115.523 114.554 0.171 0.000 2.867 178 T HA -0.093 4.237 4.350 -0.033 0.000 0.268 178 T C 1.934 176.744 174.700 0.182 0.000 1.057 178 T CA 0.831 63.044 62.100 0.189 0.000 1.136 178 T CB -0.109 68.861 68.868 0.171 0.000 0.874 178 T HN -0.053 nan 8.240 nan 0.000 0.466 179 V N 1.412 121.399 119.914 0.121 0.000 2.332 179 V HA -0.184 3.917 4.120 -0.033 0.000 0.248 179 V C 2.628 178.779 176.094 0.094 0.000 1.055 179 V CA 1.489 63.818 62.300 0.048 0.000 1.038 179 V CB -0.656 31.055 31.823 -0.187 0.000 0.651 179 V HN 0.347 nan 8.190 nan 0.000 0.450 180 V N 0.150 120.095 119.914 0.052 0.000 2.270 180 V HA -0.231 3.870 4.120 -0.033 0.000 0.245 180 V C 2.699 178.858 176.094 0.107 0.000 1.043 180 V CA 1.972 64.301 62.300 0.048 0.000 1.014 180 V CB -1.278 30.560 31.823 0.025 0.000 0.645 180 V HN 0.555 nan 8.190 nan 0.000 0.447 181 A N -0.374 122.527 122.820 0.135 0.000 1.908 181 A HA -0.276 4.024 4.320 -0.033 0.000 0.218 181 A C 2.176 179.852 177.584 0.154 0.000 1.181 181 A CA 2.062 54.186 52.037 0.146 0.000 0.627 181 A CB -0.548 18.613 19.000 0.268 0.000 0.818 181 A HN 0.640 nan 8.150 nan 0.000 0.445 182 E N -1.718 118.626 120.200 0.240 0.000 2.058 182 E HA -0.248 4.083 4.350 -0.033 0.000 0.194 182 E C 1.883 178.635 176.600 0.253 0.000 0.997 182 E CA 1.611 58.203 56.400 0.318 0.000 0.801 182 E CB -0.339 29.626 29.700 0.441 0.000 0.746 182 E HN 0.799 nan 8.360 nan 0.000 0.450 183 Y N 0.977 121.365 120.300 0.147 0.000 2.165 183 Y HA -0.280 4.250 4.550 -0.033 0.000 0.286 183 Y C 2.283 178.102 175.900 -0.135 0.000 1.155 183 Y CA 1.564 59.698 58.100 0.056 0.000 1.164 183 Y CB -0.228 38.274 38.460 0.070 0.000 0.978 183 Y HN 0.025 nan 8.280 nan 0.000 0.513 184 A N 0.268 123.054 122.820 -0.057 0.000 1.908 184 A HA -0.201 4.099 4.320 -0.033 0.000 0.218 184 A C 2.223 179.569 177.584 -0.396 0.000 1.181 184 A CA 2.056 53.831 52.037 -0.437 0.000 0.627 184 A CB -1.099 17.564 19.000 -0.562 0.000 0.818 184 A HN 0.586 nan 8.150 nan 0.000 0.445 185 I N -0.394 120.002 120.570 -0.289 0.000 2.202 185 I HA -0.253 3.897 4.170 -0.033 0.000 0.242 185 I C 3.004 178.845 176.117 -0.460 0.000 1.091 185 I CA 1.023 62.077 61.300 -0.411 0.000 1.368 185 I CB -0.509 37.111 38.000 -0.633 0.000 1.058 185 I HN 0.352 nan 8.210 nan 0.000 0.410 186 A N 0.369 122.974 122.820 -0.358 0.000 1.883 186 A HA -0.317 3.983 4.320 -0.033 0.000 0.217 186 A C 2.336 179.787 177.584 -0.221 0.000 1.186 186 A CA 2.169 54.104 52.037 -0.170 0.000 0.624 186 A CB -0.851 18.111 19.000 -0.063 0.000 0.822 186 A HN 0.527 nan 8.150 nan 0.000 0.444 187 Q N -0.278 119.338 119.800 -0.306 0.000 2.050 187 Q HA -0.158 4.162 4.340 -0.033 0.000 0.202 187 Q C 2.228 178.166 176.000 -0.103 0.000 0.980 187 Q CA 2.019 57.690 55.803 -0.221 0.000 0.840 187 Q CB -0.180 28.427 28.738 -0.217 0.000 0.898 187 Q HN 0.602 nan 8.270 nan 0.000 0.424 188 S N 0.622 116.254 115.700 -0.113 0.000 2.368 188 S HA -0.110 4.340 4.470 -0.033 0.000 0.225 188 S C 1.845 176.425 174.600 -0.034 0.000 1.030 188 S CA 1.097 59.292 58.200 -0.007 0.000 0.999 188 S CB -0.204 63.005 63.200 0.014 0.000 0.844 188 S HN 0.373 nan 8.310 nan 0.000 0.459 189 L N 0.986 122.155 121.223 -0.091 0.000 2.156 189 L HA -0.040 4.280 4.340 -0.033 0.000 0.208 189 L C 2.326 179.174 176.870 -0.036 0.000 1.095 189 L CA 1.046 55.847 54.840 -0.066 0.000 0.770 189 L CB -0.412 41.594 42.059 -0.088 0.000 0.914 189 L HN 0.254 nan 8.230 nan 0.000 0.439 190 K N 0.023 120.396 120.400 -0.044 0.000 2.211 190 K HA -0.065 4.235 4.320 -0.033 0.000 0.203 190 K C 0.984 177.575 176.600 -0.014 0.000 1.050 190 K CA 0.794 57.062 56.287 -0.031 0.000 0.945 190 K CB -0.098 32.372 32.500 -0.049 0.000 0.732 190 K HN 0.273 nan 8.250 nan 0.000 0.451 191 N N 1.177 119.874 118.700 -0.005 0.000 2.313 191 N HA 0.030 4.750 4.740 -0.033 0.000 0.207 191 N C -0.625 174.892 175.510 0.011 0.000 1.141 191 N CA 0.208 53.266 53.050 0.013 0.000 0.830 191 N CB 0.447 38.956 38.487 0.038 0.000 1.008 191 N HN 0.093 nan 8.380 nan 0.000 0.481 192 K N -0.278 120.123 120.400 0.002 0.000 3.020 192 K HA -0.256 4.044 4.320 -0.033 0.000 0.266 192 K C -0.354 176.248 176.600 0.004 0.000 1.067 192 K CA 0.765 57.053 56.287 0.001 0.000 0.780 192 K CB -1.465 31.035 32.500 0.001 0.000 1.220 192 K HN 0.473 nan 8.250 nan 0.000 0.483 193 Q N 0.129 119.936 119.800 0.012 0.000 2.193 193 Q HA 0.439 4.759 4.340 -0.033 0.000 0.246 193 Q C -0.067 175.940 176.000 0.012 0.000 0.959 193 Q CA -0.924 54.890 55.803 0.018 0.000 0.904 193 Q CB 1.357 30.123 28.738 0.048 0.000 1.238 193 Q HN 0.122 nan 8.270 nan 0.000 0.469 194 R N 0.103 120.609 120.500 0.010 0.000 2.598 194 R HA 0.661 4.981 4.340 -0.033 0.000 0.279 194 R C -1.155 175.157 176.300 0.020 0.000 0.984 194 R CA -0.710 55.392 56.100 0.003 0.000 0.999 194 R CB 1.737 32.035 30.300 -0.004 0.000 1.114 194 R HN 0.357 nan 8.270 nan 0.000 0.493 195 V N 3.882 123.800 119.914 0.007 0.000 2.841 195 V HA 0.533 4.633 4.120 -0.033 0.000 0.310 195 V C -1.118 174.979 176.094 0.006 0.000 1.090 195 V CA -0.731 61.585 62.300 0.026 0.000 0.930 195 V CB 2.043 33.875 31.823 0.014 0.000 1.014 195 V HN 0.615 nan 8.190 nan 0.000 0.425 196 I N 6.202 126.770 120.570 -0.003 0.000 2.404 196 I HA 0.415 4.566 4.170 -0.033 0.000 0.293 196 I C -1.428 174.667 176.117 -0.036 0.000 0.992 196 I CA -0.702 60.582 61.300 -0.027 0.000 1.149 196 I CB 1.866 39.819 38.000 -0.079 0.000 1.315 196 I HN 0.743 nan 8.210 nan 0.000 0.446 197 Y N 5.906 126.139 120.300 -0.111 0.000 2.356 197 Y HA 0.372 4.902 4.550 -0.033 0.000 0.334 197 Y C 0.206 176.034 175.900 -0.120 0.000 0.958 197 Y CA -0.603 57.432 58.100 -0.108 0.000 1.196 197 Y CB 1.269 39.699 38.460 -0.050 0.000 1.137 197 Y HN 0.617 nan 8.280 nan 0.000 0.485 198 T N 1.585 115.978 114.554 -0.268 0.000 2.902 198 T HA 0.745 5.075 4.350 -0.033 0.000 0.283 198 T C -0.262 174.413 174.700 -0.043 0.000 1.009 198 T CA -0.677 61.329 62.100 -0.157 0.000 1.051 198 T CB 1.498 70.166 68.868 -0.333 0.000 0.999 198 T HN 0.609 nan 8.240 nan 0.000 0.474 199 S N 1.341 117.084 115.700 0.072 0.000 2.599 199 S HA 0.625 5.075 4.470 -0.033 0.000 0.287 199 S C -2.502 172.161 174.600 0.105 0.000 1.105 199 S CA -1.553 56.719 58.200 0.120 0.000 0.899 199 S CB 1.772 65.074 63.200 0.169 0.000 1.100 199 S HN 0.427 nan 8.310 nan 0.000 0.482 200 P HA 0.258 nan 4.420 nan 0.000 0.220 200 P C -0.221 177.133 177.300 0.091 0.000 1.152 200 P CA 0.796 63.988 63.100 0.154 0.000 0.812 200 P CB 0.033 31.450 31.700 -0.472 0.000 0.792 201 I N -1.483 119.107 120.570 0.035 0.000 2.608 201 I HA 0.217 4.368 4.170 -0.033 0.000 0.295 201 I C 1.249 177.391 176.117 0.042 0.000 1.049 201 I CA -0.967 60.369 61.300 0.059 0.000 1.063 201 I CB 2.569 40.611 38.000 0.070 0.000 1.248 201 I HN -0.315 nan 8.210 nan 0.000 0.424 202 K N 3.158 123.582 120.400 0.041 0.000 2.059 202 K HA -0.246 4.054 4.320 -0.033 0.000 0.212 202 K C 1.988 178.584 176.600 -0.008 0.000 1.050 202 K CA 2.102 58.400 56.287 0.018 0.000 0.927 202 K CB -0.216 32.300 32.500 0.026 0.000 0.714 202 K HN 0.802 nan 8.250 nan 0.000 0.447 203 A N 1.327 124.148 122.820 0.002 0.000 1.917 203 A HA -0.185 4.115 4.320 -0.033 0.000 0.219 203 A C 2.133 179.675 177.584 -0.069 0.000 1.182 203 A CA 1.513 53.527 52.037 -0.037 0.000 0.633 203 A CB -0.707 18.308 19.000 0.024 0.000 0.819 203 A HN 0.204 nan 8.150 nan 0.000 0.448 204 L N -0.558 120.657 121.223 -0.014 0.000 2.093 204 L HA -0.141 4.179 4.340 -0.033 0.000 0.208 204 L C 2.853 179.725 176.870 0.003 0.000 1.085 204 L CA 1.250 56.090 54.840 0.000 0.000 0.755 204 L CB -0.515 41.565 42.059 0.034 0.000 0.904 204 L HN 0.341 nan 8.230 nan 0.000 0.435 205 S N 0.400 116.106 115.700 0.010 0.000 2.351 205 S HA -0.174 4.276 4.470 -0.033 0.000 0.220 205 S C 1.721 176.323 174.600 0.002 0.000 1.035 205 S CA 1.659 59.872 58.200 0.022 0.000 1.031 205 S CB -0.452 62.755 63.200 0.012 0.000 0.928 205 S HN 0.462 nan 8.310 nan 0.000 0.433 206 N N 1.733 120.399 118.700 -0.058 0.000 2.104 206 N HA -0.137 4.584 4.740 -0.033 0.000 0.190 206 N C 2.260 177.714 175.510 -0.095 0.000 1.024 206 N CA 1.734 54.734 53.050 -0.083 0.000 0.853 206 N CB -1.126 37.225 38.487 -0.227 0.000 1.008 206 N HN 0.682 nan 8.380 nan 0.000 0.424 207 Q N 1.539 121.222 119.800 -0.195 0.000 2.119 207 Q HA -0.028 4.292 4.340 -0.033 0.000 0.201 207 Q C 2.020 178.020 176.000 -0.001 0.000 0.972 207 Q CA 1.237 56.979 55.803 -0.102 0.000 0.847 207 Q CB -0.487 28.201 28.738 -0.083 0.000 0.903 207 Q HN 0.204 nan 8.270 nan 0.000 0.433 208 K N -0.837 119.550 120.400 -0.022 0.000 2.062 208 K HA -0.036 4.265 4.320 -0.033 0.000 0.205 208 K C 1.970 178.535 176.600 -0.059 0.000 1.051 208 K CA 1.230 57.466 56.287 -0.084 0.000 0.941 208 K CB -0.436 31.947 32.500 -0.195 0.000 0.719 208 K HN 0.681 nan 8.250 nan 0.000 0.440 209 Y N 2.118 122.361 120.300 -0.094 0.000 2.128 209 Y HA -0.257 4.274 4.550 -0.033 0.000 0.284 209 Y C 2.552 178.449 175.900 -0.005 0.000 1.154 209 Y CA 2.059 60.129 58.100 -0.051 0.000 1.149 209 Y CB -0.237 38.206 38.460 -0.029 0.000 0.976 209 Y HN -0.012 nan 8.280 nan 0.000 0.505 210 R N 0.416 120.891 120.500 -0.041 0.000 2.091 210 R HA -0.214 4.107 4.340 -0.033 0.000 0.238 210 R C 2.447 178.691 176.300 -0.094 0.000 1.136 210 R CA 1.991 58.049 56.100 -0.071 0.000 0.959 210 R CB -0.464 29.943 30.300 0.178 0.000 0.856 210 R HN 0.599 nan 8.270 nan 0.000 0.437 211 E N 0.147 120.321 120.200 -0.043 0.000 2.072 211 E HA -0.167 4.163 4.350 -0.033 0.000 0.191 211 E C 2.003 178.570 176.600 -0.054 0.000 0.985 211 E CA 1.033 57.414 56.400 -0.031 0.000 0.801 211 E CB 0.023 29.721 29.700 -0.004 0.000 0.750 211 E HN 0.409 nan 8.360 nan 0.000 0.452 212 L N 0.531 121.711 121.223 -0.072 0.000 2.072 212 L HA -0.134 4.186 4.340 -0.033 0.000 0.205 212 L C 2.639 179.508 176.870 -0.002 0.000 1.079 212 L CA 0.257 55.109 54.840 0.020 0.000 0.752 212 L CB -0.320 41.734 42.059 -0.009 0.000 0.906 212 L HN 0.250 nan 8.230 nan 0.000 0.436 213 L N 0.502 121.608 121.223 -0.195 0.000 2.081 213 L HA -0.203 4.117 4.340 -0.033 0.000 0.212 213 L C 2.588 179.379 176.870 -0.130 0.000 1.080 213 L CA 2.056 56.757 54.840 -0.232 0.000 0.754 213 L CB -0.661 41.083 42.059 -0.526 0.000 0.893 213 L HN 0.166 nan 8.230 nan 0.000 0.433 214 A N -1.290 121.453 122.820 -0.129 0.000 1.972 214 A HA -0.202 4.099 4.320 -0.033 0.000 0.219 214 A C 2.240 179.742 177.584 -0.138 0.000 1.169 214 A CA 1.752 53.725 52.037 -0.107 0.000 0.635 214 A CB -0.467 18.482 19.000 -0.084 0.000 0.810 214 A HN 0.528 nan 8.150 nan 0.000 0.446 215 E N -2.317 117.771 120.200 -0.187 0.000 2.276 215 E HA 0.174 4.505 4.350 -0.033 0.000 0.193 215 E C 0.930 177.166 176.600 -0.607 0.000 0.983 215 E CA 0.672 56.824 56.400 -0.414 0.000 0.861 215 E CB 0.022 29.401 29.700 -0.535 0.000 0.817 215 E HN 0.578 nan 8.360 nan 0.000 0.485 216 F N -2.259 117.645 119.950 -0.078 0.000 2.640 216 F HA 0.369 4.877 4.527 -0.033 0.000 0.285 216 F C 1.837 177.599 175.800 -0.063 0.000 1.031 216 F CA 0.531 58.489 58.000 -0.070 0.000 1.240 216 F CB 0.481 39.441 39.000 -0.067 0.000 1.011 216 F HN 0.123 nan 8.300 nan 0.000 0.656 217 G N -0.004 108.853 108.800 0.094 0.000 2.990 217 G HA2 -0.361 3.580 3.960 -0.033 0.000 0.225 217 G HA3 -0.361 3.580 3.960 -0.033 0.000 0.225 217 G C 0.571 175.502 174.900 0.051 0.000 1.304 217 G CA 0.445 45.567 45.100 0.036 0.000 0.816 217 G HN 0.299 nan 8.290 nan 0.000 0.528 218 D N 1.795 122.239 120.400 0.073 0.000 2.767 218 D HA 0.442 5.062 4.640 -0.033 0.000 0.231 218 D C 0.140 176.469 176.300 0.049 0.000 1.105 218 D CA 0.256 54.287 54.000 0.051 0.000 1.024 218 D CB -0.269 40.553 40.800 0.036 0.000 1.123 218 D HN 0.353 nan 8.370 nan 0.000 0.470 219 V N 0.357 120.314 119.914 0.072 0.000 2.735 219 V HA 0.861 4.961 4.120 -0.033 0.000 0.310 219 V C 0.840 177.070 176.094 0.226 0.000 1.061 219 V CA -0.851 61.512 62.300 0.105 0.000 0.913 219 V CB 2.065 33.923 31.823 0.058 0.000 1.005 219 V HN 0.303 nan 8.190 nan 0.000 0.428 220 G N 1.816 110.750 108.800 0.223 0.000 2.816 220 G HA2 0.772 4.713 3.960 -0.033 0.000 0.288 220 G HA3 0.772 4.713 3.960 -0.033 0.000 0.288 220 G C -2.035 172.913 174.900 0.080 0.000 1.334 220 G CA -0.720 44.487 45.100 0.179 0.000 0.978 220 G HN 0.667 nan 8.290 nan 0.000 0.493 221 L N -0.041 121.080 121.223 -0.171 0.000 2.476 221 L HA 0.708 5.028 4.340 -0.033 0.000 0.269 221 L C -0.751 176.016 176.870 -0.171 0.000 0.965 221 L CA -0.601 54.074 54.840 -0.275 0.000 0.845 221 L CB 1.801 43.407 42.059 -0.755 0.000 1.259 221 L HN 0.492 nan 8.230 nan 0.000 0.403 222 M N 4.607 124.150 119.600 -0.095 0.000 2.243 222 M HA 0.623 5.084 4.480 -0.033 0.000 0.324 222 M C -0.813 175.455 176.300 -0.054 0.000 1.031 222 M CA -0.301 54.960 55.300 -0.066 0.000 0.949 222 M CB 2.010 34.586 32.600 -0.040 0.000 1.615 222 M HN 0.672 nan 8.290 nan 0.000 0.430 223 T N 0.719 115.244 114.554 -0.048 0.000 2.821 223 T HA 0.352 4.682 4.350 -0.033 0.000 0.306 223 T C 1.018 175.711 174.700 -0.012 0.000 1.313 223 T CA -0.297 61.786 62.100 -0.029 0.000 1.012 223 T CB 1.896 70.742 68.868 -0.037 0.000 1.298 223 T HN 0.854 nan 8.240 nan 0.000 0.502 224 G N 0.604 109.407 108.800 0.005 0.000 2.469 224 G HA2 -0.220 3.721 3.960 -0.033 0.000 0.219 224 G HA3 -0.220 3.721 3.960 -0.033 0.000 0.219 224 G C 0.863 175.777 174.900 0.022 0.000 1.150 224 G CA 1.262 46.374 45.100 0.021 0.000 0.763 224 G HN 0.666 nan 8.290 nan 0.000 0.561 225 D N -0.151 120.262 120.400 0.021 0.000 2.107 225 D HA 0.062 4.682 4.640 -0.033 0.000 0.204 225 D C 1.084 177.389 176.300 0.009 0.000 0.978 225 D CA 0.527 54.544 54.000 0.029 0.000 0.852 225 D CB 0.172 40.992 40.800 0.034 0.000 1.008 225 D HN 0.115 nan 8.370 nan 0.000 0.458 226 I N 0.395 120.954 120.570 -0.017 0.000 2.562 226 I HA 0.287 4.437 4.170 -0.033 0.000 0.301 226 I C -0.221 175.856 176.117 -0.068 0.000 1.003 226 I CA -0.245 61.031 61.300 -0.040 0.000 1.127 226 I CB 1.888 39.852 38.000 -0.060 0.000 1.304 226 I HN -0.230 nan 8.210 nan 0.000 0.446 227 T N 6.533 121.048 114.554 -0.066 0.000 2.840 227 T HA 0.683 5.013 4.350 -0.033 0.000 0.287 227 T C -0.233 174.418 174.700 -0.082 0.000 0.991 227 T CA -0.294 61.762 62.100 -0.074 0.000 0.964 227 T CB 1.314 70.156 68.868 -0.045 0.000 0.954 227 T HN 0.275 nan 8.240 nan 0.000 0.438 228 I N 3.192 123.691 120.570 -0.118 0.000 2.499 228 I HA 0.372 4.522 4.170 -0.033 0.000 0.288 228 I C -0.039 176.054 176.117 -0.040 0.000 1.048 228 I CA -0.997 60.247 61.300 -0.094 0.000 1.062 228 I CB 1.785 39.677 38.000 -0.180 0.000 1.238 228 I HN 0.576 nan 8.210 nan 0.000 0.426 229 N N 6.259 124.960 118.700 0.003 0.000 2.629 229 N HA -0.138 4.582 4.740 -0.033 0.000 0.278 229 N C -2.086 173.434 175.510 0.017 0.000 1.102 229 N CA 0.103 53.169 53.050 0.026 0.000 0.759 229 N CB -0.150 38.376 38.487 0.065 0.000 0.911 229 N HN 0.341 nan 8.380 nan 0.000 0.553 230 P HA 0.013 nan 4.420 nan 0.000 0.226 230 P C 0.184 177.487 177.300 0.005 0.000 1.153 230 P CA 0.820 63.919 63.100 -0.002 0.000 0.777 230 P CB 0.222 31.918 31.700 -0.007 0.000 0.794 231 D N -0.878 119.528 120.400 0.010 0.000 2.328 231 D HA 0.152 4.773 4.640 -0.033 0.000 0.221 231 D C 0.814 177.121 176.300 0.013 0.000 1.072 231 D CA 0.031 54.036 54.000 0.009 0.000 0.850 231 D CB -0.376 40.429 40.800 0.008 0.000 0.922 231 D HN 0.068 nan 8.370 nan 0.000 0.516 232 A N 0.209 123.042 122.820 0.021 0.000 2.425 232 A HA 0.445 4.746 4.320 -0.033 0.000 0.242 232 A C 1.812 179.403 177.584 0.012 0.000 1.077 232 A CA 0.301 52.355 52.037 0.027 0.000 0.781 232 A CB 0.406 19.436 19.000 0.051 0.000 1.020 232 A HN 0.206 nan 8.150 nan 0.000 0.494 233 G N -0.174 108.629 108.800 0.004 0.000 2.418 233 G HA2 -0.090 3.850 3.960 -0.033 0.000 0.217 233 G HA3 -0.090 3.850 3.960 -0.033 0.000 0.217 233 G C 0.770 175.654 174.900 -0.027 0.000 1.158 233 G CA 1.439 46.531 45.100 -0.013 0.000 0.771 233 G HN 1.024 nan 8.290 nan 0.000 0.545 234 C N 0.863 120.145 119.300 -0.031 0.000 2.298 234 C HA 0.752 5.192 4.460 -0.033 0.000 0.323 234 C C -0.190 174.808 174.990 0.014 0.000 1.284 234 C CA -1.375 57.620 59.018 -0.039 0.000 1.577 234 C CB -0.509 27.162 27.740 -0.114 0.000 2.249 234 C HN 0.226 nan 8.230 nan 0.000 0.497 235 L N 6.831 128.067 121.223 0.021 0.000 2.298 235 L HA 0.493 4.813 4.340 -0.033 0.000 0.284 235 L C -0.326 176.581 176.870 0.060 0.000 1.013 235 L CA -0.488 54.374 54.840 0.036 0.000 0.824 235 L CB 1.721 43.787 42.059 0.012 0.000 1.221 235 L HN 0.430 nan 8.230 nan 0.000 0.418 236 V N 5.851 125.813 119.914 0.080 0.000 2.406 236 V HA 0.445 4.546 4.120 -0.033 0.000 0.272 236 V C 0.295 176.416 176.094 0.045 0.000 1.043 236 V CA -0.203 62.155 62.300 0.097 0.000 0.915 236 V CB 1.179 33.062 31.823 0.100 0.000 0.988 236 V HN 0.777 nan 8.190 nan 0.000 0.466 237 M N 3.429 123.054 119.600 0.042 0.000 2.622 237 M HA 0.672 5.133 4.480 -0.033 0.000 0.276 237 M C -0.345 175.947 176.300 -0.015 0.000 1.265 237 M CA -0.663 54.634 55.300 -0.005 0.000 0.850 237 M CB 2.377 34.960 32.600 -0.028 0.000 1.720 237 M HN 0.480 nan 8.290 nan 0.000 0.465 238 T N -1.876 112.659 114.554 -0.033 0.000 2.882 238 T HA 0.323 4.653 4.350 -0.033 0.000 0.287 238 T C 0.790 175.417 174.700 -0.121 0.000 1.014 238 T CA -0.044 62.023 62.100 -0.056 0.000 1.049 238 T CB 0.955 69.802 68.868 -0.035 0.000 1.001 238 T HN 0.715 nan 8.240 nan 0.000 0.525 239 T N 0.986 115.404 114.554 -0.226 0.000 2.821 239 T HA -0.068 4.263 4.350 -0.033 0.000 0.267 239 T C 1.740 176.299 174.700 -0.235 0.000 1.046 239 T CA 1.402 63.291 62.100 -0.353 0.000 1.139 239 T CB -0.336 68.004 68.868 -0.880 0.000 0.871 239 T HN 0.712 nan 8.240 nan 0.000 0.454 240 E N 0.760 120.857 120.200 -0.172 0.000 2.110 240 E HA -0.045 4.286 4.350 -0.033 0.000 0.193 240 E C 2.082 178.665 176.600 -0.027 0.000 0.988 240 E CA 0.659 57.018 56.400 -0.069 0.000 0.804 240 E CB -0.268 29.419 29.700 -0.021 0.000 0.745 240 E HN 0.344 nan 8.360 nan 0.000 0.458 241 I N 0.239 120.787 120.570 -0.036 0.000 2.315 241 I HA -0.175 3.975 4.170 -0.033 0.000 0.248 241 I C 2.178 178.284 176.117 -0.018 0.000 1.117 241 I CA 0.764 62.054 61.300 -0.016 0.000 1.404 241 I CB -0.805 37.181 38.000 -0.022 0.000 1.071 241 I HN 0.212 nan 8.210 nan 0.000 0.419 242 L N 1.276 122.471 121.223 -0.046 0.000 2.056 242 L HA -0.132 4.188 4.340 -0.033 0.000 0.207 242 L C 2.753 179.609 176.870 -0.023 0.000 1.078 242 L CA 1.672 56.486 54.840 -0.043 0.000 0.749 242 L CB -0.836 41.178 42.059 -0.076 0.000 0.901 242 L HN 0.123 nan 8.230 nan 0.000 0.433 243 R N -1.012 119.475 120.500 -0.022 0.000 2.103 243 R HA -0.219 4.101 4.340 -0.033 0.000 0.242 243 R C 2.438 178.770 176.300 0.052 0.000 1.142 243 R CA 1.921 58.018 56.100 -0.004 0.000 0.960 243 R CB -0.556 29.765 30.300 0.036 0.000 0.858 243 R HN 0.528 nan 8.270 nan 0.000 0.439 244 S N 0.004 115.758 115.700 0.090 0.000 2.356 244 S HA -0.149 4.301 4.470 -0.033 0.000 0.223 244 S C 2.062 176.725 174.600 0.106 0.000 1.032 244 S CA 1.497 59.780 58.200 0.138 0.000 1.005 244 S CB -0.131 63.124 63.200 0.092 0.000 0.867 244 S HN 0.373 nan 8.310 nan 0.000 0.449 245 M N 0.693 120.322 119.600 0.049 0.000 2.082 245 M HA -0.153 4.307 4.480 -0.033 0.000 0.258 245 M C 2.110 178.427 176.300 0.029 0.000 1.069 245 M CA 1.645 56.964 55.300 0.032 0.000 1.102 245 M CB -0.623 31.982 32.600 0.008 0.000 1.336 245 M HN 0.368 nan 8.290 nan 0.000 0.404 246 L N -1.619 119.599 121.223 -0.009 0.000 2.012 246 L HA -0.261 4.060 4.340 -0.033 0.000 0.210 246 L C 2.431 179.284 176.870 -0.028 0.000 1.073 246 L CA 1.490 56.296 54.840 -0.057 0.000 0.748 246 L CB -0.893 41.078 42.059 -0.146 0.000 0.891 246 L HN 0.220 nan 8.230 nan 0.000 0.431 247 Y N 0.137 120.462 120.300 0.042 0.000 2.274 247 Y HA -0.191 4.339 4.550 -0.033 0.000 0.290 247 Y C 2.692 178.610 175.900 0.030 0.000 1.145 247 Y CA 1.138 59.261 58.100 0.039 0.000 1.203 247 Y CB -0.391 38.096 38.460 0.046 0.000 0.984 247 Y HN 0.058 nan 8.280 nan 0.000 0.533 248 R N -0.550 120.057 120.500 0.178 0.000 2.236 248 R HA 0.082 4.403 4.340 -0.033 0.000 0.208 248 R C 1.068 177.411 176.300 0.072 0.000 1.036 248 R CA 0.634 56.798 56.100 0.107 0.000 1.001 248 R CB -0.344 30.003 30.300 0.079 0.000 0.896 248 R HN 0.356 nan 8.270 nan 0.000 0.464 249 G N 2.168 111.005 108.800 0.061 0.000 2.370 249 G HA2 -0.287 3.653 3.960 -0.033 0.000 0.295 249 G HA3 -0.287 3.653 3.960 -0.033 0.000 0.295 249 G C -0.014 174.900 174.900 0.024 0.000 1.045 249 G CA 0.417 45.538 45.100 0.034 0.000 1.199 249 G HN 0.402 nan 8.290 nan 0.000 0.513 250 S N -0.734 114.978 115.700 0.020 0.000 2.603 250 S HA 0.516 4.966 4.470 -0.033 0.000 0.268 250 S C 1.020 175.624 174.600 0.006 0.000 1.317 250 S CA -0.310 57.898 58.200 0.013 0.000 1.012 250 S CB 1.754 64.962 63.200 0.012 0.000 0.926 250 S HN 0.236 nan 8.310 nan 0.000 0.539 251 E N 1.115 121.317 120.200 0.004 0.000 2.511 251 E HA 0.037 4.367 4.350 -0.033 0.000 0.196 251 E C 1.625 178.223 176.600 -0.003 0.000 1.066 251 E CA 0.135 56.535 56.400 0.000 0.000 0.871 251 E CB -0.358 29.343 29.700 0.001 0.000 0.863 251 E HN 0.543 nan 8.360 nan 0.000 0.520 252 V N 0.798 120.710 119.914 -0.004 0.000 2.323 252 V HA -0.232 3.869 4.120 -0.033 0.000 0.244 252 V C 2.236 178.322 176.094 -0.012 0.000 1.041 252 V CA 1.166 63.461 62.300 -0.007 0.000 1.025 252 V CB -0.351 31.468 31.823 -0.007 0.000 0.656 252 V HN 0.279 nan 8.190 nan 0.000 0.451 253 M N -0.019 119.573 119.600 -0.013 0.000 2.267 253 M HA -0.188 4.272 4.480 -0.033 0.000 0.263 253 M C 2.195 178.480 176.300 -0.025 0.000 1.063 253 M CA 1.568 56.856 55.300 -0.019 0.000 1.090 253 M CB -1.522 31.070 32.600 -0.014 0.000 1.392 253 M HN 0.342 nan 8.290 nan 0.000 0.422 254 R N 0.959 121.448 120.500 -0.019 0.000 2.241 254 R HA -0.111 4.209 4.340 -0.033 0.000 0.224 254 R C 1.600 177.885 176.300 -0.024 0.000 1.101 254 R CA 1.822 57.910 56.100 -0.021 0.000 0.995 254 R CB 0.057 30.349 30.300 -0.013 0.000 0.870 254 R HN 0.472 nan 8.270 nan 0.000 0.463 255 E N -0.202 119.985 120.200 -0.022 0.000 2.526 255 E HA 0.197 4.527 4.350 -0.033 0.000 0.208 255 E C -0.142 176.443 176.600 -0.024 0.000 0.997 255 E CA 0.046 56.433 56.400 -0.020 0.000 0.961 255 E CB 0.722 30.415 29.700 -0.012 0.000 1.030 255 E HN 0.132 nan 8.360 nan 0.000 0.483 256 V N 0.902 120.795 119.914 -0.036 0.000 2.461 256 V HA 0.594 4.694 4.120 -0.033 0.000 0.275 256 V C 1.363 177.409 176.094 -0.080 0.000 1.047 256 V CA 0.489 62.765 62.300 -0.040 0.000 0.955 256 V CB 1.043 32.841 31.823 -0.042 0.000 0.988 256 V HN 0.487 nan 8.190 nan 0.000 0.471 257 A N 4.063 126.849 122.820 -0.057 0.000 1.963 257 A HA 0.280 4.580 4.320 -0.033 0.000 0.207 257 A C 0.179 177.545 177.584 -0.364 0.000 1.243 257 A CA 0.231 52.171 52.037 -0.162 0.000 0.728 257 A CB 0.171 19.168 19.000 -0.005 0.000 0.895 257 A HN 0.700 nan 8.150 nan 0.000 0.467 258 W N -1.568 119.651 121.300 -0.135 0.000 2.844 258 W HA 0.597 5.237 4.660 -0.033 0.000 0.340 258 W C -1.103 175.323 176.519 -0.155 0.000 1.093 258 W CA -0.582 56.667 57.345 -0.160 0.000 1.212 258 W CB 1.952 31.343 29.460 -0.115 0.000 1.422 258 W HN -0.113 nan 8.180 nan 0.000 0.515 259 V N 4.424 124.381 119.914 0.072 0.000 2.483 259 V HA 0.410 4.510 4.120 -0.033 0.000 0.297 259 V C -0.417 175.617 176.094 -0.100 0.000 1.027 259 V CA -0.932 61.337 62.300 -0.051 0.000 0.855 259 V CB 1.259 33.050 31.823 -0.053 0.000 0.995 259 V HN 0.353 nan 8.190 nan 0.000 0.424 260 I N 5.150 125.576 120.570 -0.240 0.000 2.331 260 I HA 0.415 4.566 4.170 -0.033 0.000 0.292 260 I C -0.736 175.078 176.117 -0.504 0.000 0.998 260 I CA 0.012 61.139 61.300 -0.288 0.000 1.267 260 I CB 0.971 38.782 38.000 -0.315 0.000 1.386 260 I HN 0.411 nan 8.210 nan 0.000 0.476 261 F N 4.374 124.232 119.950 -0.152 0.000 2.308 261 F HA 0.257 4.764 4.527 -0.033 0.000 0.370 261 F C 0.357 176.149 175.800 -0.013 0.000 1.100 261 F CA -0.692 57.310 58.000 0.003 0.000 1.108 261 F CB 0.612 39.773 39.000 0.268 0.000 1.293 261 F HN 0.383 nan 8.300 nan 0.000 0.478 262 D N 3.764 124.157 120.400 -0.012 0.000 2.308 262 D HA 0.114 4.734 4.640 -0.033 0.000 0.251 262 D C 0.113 176.464 176.300 0.085 0.000 1.127 262 D CA 0.415 54.424 54.000 0.014 0.000 0.876 262 D CB 0.596 41.381 40.800 -0.025 0.000 1.176 262 D HN 0.454 nan 8.370 nan 0.000 0.446 263 E N 2.268 122.500 120.200 0.054 0.000 2.271 263 E HA -0.129 4.202 4.350 -0.033 0.000 0.223 263 E C 1.061 177.488 176.600 -0.289 0.000 1.223 263 E CA 0.241 56.563 56.400 -0.130 0.000 0.704 263 E CB -1.779 27.779 29.700 -0.236 0.000 1.194 263 E HN 0.325 nan 8.360 nan 0.000 0.375 264 V N 0.668 120.522 119.914 -0.100 0.000 2.720 264 V HA -0.271 3.830 4.120 -0.033 0.000 0.256 264 V C 2.399 178.267 176.094 -0.376 0.000 1.082 264 V CA 2.179 64.371 62.300 -0.180 0.000 1.101 264 V CB -0.871 30.907 31.823 -0.076 0.000 0.693 264 V HN 0.635 nan 8.190 nan 0.000 0.479 265 H N -1.953 117.020 119.070 -0.161 0.000 2.541 265 H HA -0.188 4.348 4.556 -0.033 0.000 0.289 265 H C 1.910 177.111 175.328 -0.212 0.000 1.054 265 H CA 1.342 57.286 56.048 -0.173 0.000 1.250 265 H CB -0.631 29.063 29.762 -0.113 0.000 1.369 265 H HN 0.458 nan 8.280 nan 0.000 0.578 266 Y N 0.925 120.766 120.300 -0.764 0.000 2.574 266 Y HA -0.090 4.440 4.550 -0.033 0.000 0.294 266 Y C 2.827 178.289 175.900 -0.729 0.000 1.142 266 Y CA 0.767 58.411 58.100 -0.760 0.000 1.314 266 Y CB -0.242 37.557 38.460 -1.101 0.000 0.991 266 Y HN 0.206 nan 8.280 nan 0.000 0.555 267 M N 0.641 119.919 119.600 -0.537 0.000 2.446 267 M HA -0.206 4.254 4.480 -0.033 0.000 0.263 267 M C 1.834 178.130 176.300 -0.006 0.000 1.066 267 M CA 1.501 56.688 55.300 -0.189 0.000 1.087 267 M CB -0.018 32.564 32.600 -0.031 0.000 1.406 267 M HN 0.264 nan 8.290 nan 0.000 0.459 268 R N -0.761 119.709 120.500 -0.049 0.000 2.334 268 R HA 0.113 4.433 4.340 -0.033 0.000 0.220 268 R C 0.112 176.416 176.300 0.007 0.000 0.917 268 R CA -0.109 56.002 56.100 0.018 0.000 1.073 268 R CB -0.447 29.859 30.300 0.009 0.000 1.056 268 R HN 0.228 nan 8.270 nan 0.000 0.506 269 D N 1.645 122.033 120.400 -0.020 0.000 2.417 269 D HA 0.000 4.621 4.640 -0.033 0.000 0.250 269 D C 0.890 177.244 176.300 0.089 0.000 1.166 269 D CA 0.505 54.511 54.000 0.011 0.000 0.881 269 D CB 1.474 42.291 40.800 0.029 0.000 1.164 269 D HN 0.332 nan 8.370 nan 0.000 0.467 270 K N 3.222 123.666 120.400 0.074 0.000 2.103 270 K HA -0.198 4.103 4.320 -0.033 0.000 0.207 270 K C 1.951 178.634 176.600 0.138 0.000 1.048 270 K CA 2.333 58.675 56.287 0.092 0.000 0.930 270 K CB -0.979 31.547 32.500 0.044 0.000 0.716 270 K HN 0.727 nan 8.250 nan 0.000 0.444 271 E N 0.314 120.599 120.200 0.141 0.000 2.175 271 E HA 0.121 4.451 4.350 -0.033 0.000 0.195 271 E C 2.144 178.898 176.600 0.256 0.000 0.934 271 E CA 0.607 57.114 56.400 0.178 0.000 0.870 271 E CB 0.013 29.776 29.700 0.105 0.000 0.838 271 E HN 0.602 nan 8.360 nan 0.000 0.474 272 R N -0.435 120.209 120.500 0.240 0.000 2.308 272 R HA 0.174 4.495 4.340 -0.033 0.000 0.202 272 R C 2.544 179.074 176.300 0.384 0.000 0.898 272 R CA 0.532 56.814 56.100 0.304 0.000 1.046 272 R CB 0.438 30.959 30.300 0.369 0.000 1.026 272 R HN 0.404 nan 8.270 nan 0.000 0.512 273 G N 0.991 109.965 108.800 0.289 0.000 2.505 273 G HA2 -0.303 3.637 3.960 -0.033 0.000 0.220 273 G HA3 -0.303 3.637 3.960 -0.033 0.000 0.220 273 G C 1.332 176.433 174.900 0.335 0.000 1.145 273 G CA 1.066 46.330 45.100 0.274 0.000 0.761 273 G HN 0.250 nan 8.290 nan 0.000 0.571 274 V N 0.568 120.580 119.914 0.162 0.000 2.568 274 V HA -0.186 3.914 4.120 -0.033 0.000 0.253 274 V C 2.920 179.121 176.094 0.179 0.000 1.072 274 V CA 2.091 64.419 62.300 0.046 0.000 1.084 274 V CB -0.281 31.272 31.823 -0.449 0.000 0.676 274 V HN 0.221 nan 8.190 nan 0.000 0.469 275 V N -0.664 119.392 119.914 0.237 0.000 2.332 275 V HA -0.271 3.829 4.120 -0.033 0.000 0.248 275 V C 2.283 178.486 176.094 0.182 0.000 1.055 275 V CA 2.615 65.016 62.300 0.167 0.000 1.038 275 V CB -0.840 31.028 31.823 0.074 0.000 0.651 275 V HN 0.685 nan 8.190 nan 0.000 0.450 276 W N 0.176 121.572 121.300 0.159 0.000 2.354 276 W HA -0.158 4.482 4.660 -0.034 0.000 0.315 276 W C 2.563 179.174 176.519 0.154 0.000 1.206 276 W CA 1.757 59.200 57.345 0.163 0.000 1.290 276 W CB -0.412 29.136 29.460 0.147 0.000 1.152 276 W HN 0.344 nan 8.180 nan 0.000 0.489 277 E N 0.486 120.953 120.200 0.445 0.000 2.038 277 E HA -0.281 4.050 4.350 -0.033 0.000 0.195 277 E C 2.022 178.835 176.600 0.355 0.000 1.000 277 E CA 1.771 58.419 56.400 0.414 0.000 0.803 277 E CB -0.313 29.637 29.700 0.416 0.000 0.750 277 E HN 0.215 nan 8.360 nan 0.000 0.448 278 E N -0.621 119.773 120.200 0.323 0.000 2.097 278 E HA -0.209 4.121 4.350 -0.033 0.000 0.196 278 E C 1.921 178.614 176.600 0.155 0.000 1.000 278 E CA 1.812 58.368 56.400 0.260 0.000 0.804 278 E CB 0.043 29.877 29.700 0.223 0.000 0.740 278 E HN 0.188 nan 8.360 nan 0.000 0.454 279 T N 0.956 115.591 114.554 0.135 0.000 2.737 279 T HA -0.112 4.218 4.350 -0.033 0.000 0.265 279 T C 1.895 176.683 174.700 0.148 0.000 1.038 279 T CA 1.337 63.500 62.100 0.105 0.000 1.144 279 T CB -0.184 68.760 68.868 0.127 0.000 0.866 279 T HN 0.182 nan 8.240 nan 0.000 0.434 280 I N 0.733 121.381 120.570 0.131 0.000 2.163 280 I HA -0.160 3.990 4.170 -0.033 0.000 0.243 280 I C 2.246 178.444 176.117 0.134 0.000 1.085 280 I CA 1.415 62.739 61.300 0.041 0.000 1.347 280 I CB -0.452 37.479 38.000 -0.116 0.000 1.044 280 I HN 0.224 nan 8.210 nan 0.000 0.408 281 I N 0.497 121.150 120.570 0.137 0.000 2.335 281 I HA -0.288 3.863 4.170 -0.033 0.000 0.251 281 I C 2.197 178.427 176.117 0.188 0.000 1.129 281 I CA 1.405 62.773 61.300 0.113 0.000 1.402 281 I CB -0.229 37.842 38.000 0.117 0.000 1.069 281 I HN 0.246 nan 8.210 nan 0.000 0.424 282 L N 0.408 121.718 121.223 0.145 0.000 2.554 282 L HA 0.058 4.378 4.340 -0.033 0.000 0.226 282 L C 0.846 177.781 176.870 0.107 0.000 1.137 282 L CA -0.022 54.867 54.840 0.082 0.000 0.863 282 L CB -0.173 41.827 42.059 -0.098 0.000 0.985 282 L HN 0.167 nan 8.230 nan 0.000 0.451 283 L N 0.668 122.002 121.223 0.185 0.000 2.439 283 L HA 0.185 4.505 4.340 -0.033 0.000 0.269 283 L C -1.924 175.053 176.870 0.178 0.000 1.179 283 L CA -1.872 53.066 54.840 0.163 0.000 0.828 283 L CB 0.107 42.290 42.059 0.206 0.000 1.106 283 L HN -0.195 nan 8.230 nan 0.000 0.467 284 P HA 0.021 nan 4.420 nan 0.000 0.269 284 P C -0.314 177.026 177.300 0.066 0.000 1.209 284 P CA -0.201 62.938 63.100 0.066 0.000 0.776 284 P CB 0.525 32.225 31.700 -0.001 0.000 0.876 285 D N 1.194 121.667 120.400 0.122 0.000 2.350 285 D HA -0.125 4.495 4.640 -0.033 0.000 0.216 285 D C 1.501 177.785 176.300 -0.027 0.000 0.968 285 D CA 1.091 55.167 54.000 0.126 0.000 0.894 285 D CB -0.028 40.862 40.800 0.149 0.000 0.909 285 D HN 0.446 nan 8.370 nan 0.000 0.520 286 K N 0.356 120.715 120.400 -0.068 0.000 2.228 286 K HA -0.000 4.300 4.320 -0.033 0.000 0.202 286 K C 0.373 176.819 176.600 -0.257 0.000 1.051 286 K CA 0.235 56.447 56.287 -0.126 0.000 0.960 286 K CB 0.448 32.895 32.500 -0.088 0.000 0.743 286 K HN -0.113 nan 8.250 nan 0.000 0.458 287 V N 2.144 121.866 119.914 -0.321 0.000 2.881 287 V HA 0.140 4.240 4.120 -0.033 0.000 0.303 287 V C 0.321 175.844 176.094 -0.953 0.000 1.070 287 V CA -0.432 61.554 62.300 -0.524 0.000 1.074 287 V CB 1.229 32.816 31.823 -0.394 0.000 1.012 287 V HN 0.204 nan 8.190 nan 0.000 0.482 288 R N 1.394 121.224 120.500 -1.117 0.000 2.720 288 R HA 0.673 4.994 4.340 -0.033 0.000 0.272 288 R C -1.423 174.238 176.300 -1.066 0.000 0.991 288 R CA -0.757 54.543 56.100 -1.334 0.000 1.010 288 R CB 1.306 30.492 30.300 -1.856 0.000 1.141 288 R HN 0.631 nan 8.270 nan 0.000 0.494 289 Y N -1.084 119.120 120.300 -0.161 0.000 2.512 289 Y HA 0.590 5.121 4.550 -0.032 0.000 0.348 289 Y C -0.547 175.325 175.900 -0.047 0.000 0.990 289 Y CA -1.202 56.801 58.100 -0.162 0.000 1.033 289 Y CB 1.750 39.869 38.460 -0.568 0.000 1.259 289 Y HN 0.050 nan 8.280 nan 0.000 0.461 290 V N 3.802 123.729 119.914 0.023 0.000 2.376 290 V HA 0.361 4.461 4.120 -0.033 0.000 0.287 290 V C -1.109 174.928 176.094 -0.094 0.000 1.015 290 V CA -0.911 61.403 62.300 0.022 0.000 0.834 290 V CB 0.362 32.223 31.823 0.063 0.000 1.001 290 V HN 0.532 nan 8.190 nan 0.000 0.428 291 F N 5.346 125.461 119.950 0.276 0.000 2.391 291 F HA 0.548 5.055 4.527 -0.033 0.000 0.359 291 F C 0.192 176.060 175.800 0.115 0.000 1.122 291 F CA -0.590 57.530 58.000 0.200 0.000 1.120 291 F CB 0.895 39.961 39.000 0.111 0.000 1.142 291 F HN 0.200 nan 8.300 nan 0.000 0.483 292 L N 3.434 124.803 121.223 0.244 0.000 2.272 292 L HA 0.581 4.901 4.340 -0.033 0.000 0.289 292 L C 0.112 177.077 176.870 0.159 0.000 1.032 292 L CA -0.358 54.587 54.840 0.174 0.000 0.810 292 L CB 1.475 43.618 42.059 0.140 0.000 1.205 292 L HN 0.662 nan 8.230 nan 0.000 0.422 293 S N 2.307 118.089 115.700 0.137 0.000 2.564 293 S HA 0.800 5.251 4.470 -0.033 0.000 0.274 293 S C -0.458 174.196 174.600 0.091 0.000 1.124 293 S CA -0.414 57.892 58.200 0.176 0.000 0.869 293 S CB 1.815 65.044 63.200 0.048 0.000 1.105 293 S HN 0.678 nan 8.310 nan 0.000 0.472 294 A N 2.129 124.974 122.820 0.042 0.000 2.386 294 A HA 0.533 4.834 4.320 -0.033 0.000 0.246 294 A C 0.775 178.250 177.584 -0.181 0.000 1.089 294 A CA 0.268 52.194 52.037 -0.186 0.000 0.790 294 A CB -0.603 18.122 19.000 -0.458 0.000 1.042 294 A HN 1.446 nan 8.150 nan 0.000 0.497 295 T N -0.043 114.356 114.554 -0.257 0.000 2.831 295 T HA 0.390 4.720 4.350 -0.033 0.000 0.291 295 T C 0.046 174.756 174.700 0.016 0.000 0.981 295 T CA 0.491 62.486 62.100 -0.174 0.000 1.174 295 T CB -0.920 67.718 68.868 -0.383 0.000 0.929 295 T HN 0.967 nan 8.240 nan 0.000 0.532 296 I N 1.009 121.668 120.570 0.148 0.000 2.730 296 I HA 0.516 4.666 4.170 -0.033 0.000 0.298 296 I C -2.157 173.966 176.117 0.011 0.000 1.089 296 I CA -3.314 58.015 61.300 0.048 0.000 1.041 296 I CB 2.600 40.594 38.000 -0.009 0.000 1.235 296 I HN 0.225 nan 8.210 nan 0.000 0.423 297 P HA -0.066 nan 4.420 nan 0.000 0.227 297 P C 0.101 177.339 177.300 -0.103 0.000 1.161 297 P CA 1.003 64.035 63.100 -0.114 0.000 0.788 297 P CB -0.050 31.605 31.700 -0.076 0.000 0.822 298 N N -0.481 118.195 118.700 -0.039 0.000 2.610 298 N HA 0.265 4.985 4.740 -0.033 0.000 0.309 298 N C 0.849 176.391 175.510 0.053 0.000 1.536 298 N CA -0.470 52.586 53.050 0.009 0.000 0.954 298 N CB -0.076 38.441 38.487 0.050 0.000 1.310 298 N HN -0.107 nan 8.380 nan 0.000 0.502 299 A N 0.443 123.265 122.820 0.003 0.000 1.968 299 A HA -0.050 4.250 4.320 -0.033 0.000 0.217 299 A C 2.041 179.667 177.584 0.069 0.000 1.169 299 A CA 0.903 52.956 52.037 0.027 0.000 0.638 299 A CB -0.221 18.792 19.000 0.022 0.000 0.812 299 A HN 0.335 nan 8.150 nan 0.000 0.446 300 M N 0.220 119.839 119.600 0.032 0.000 2.229 300 M HA -0.082 4.378 4.480 -0.033 0.000 0.264 300 M C 1.706 178.068 176.300 0.104 0.000 1.063 300 M CA 1.524 56.843 55.300 0.032 0.000 1.114 300 M CB -0.616 31.973 32.600 -0.017 0.000 1.387 300 M HN 0.540 nan 8.290 nan 0.000 0.420 301 E N -1.212 119.090 120.200 0.171 0.000 2.038 301 E HA -0.254 4.077 4.350 -0.033 0.000 0.195 301 E C 1.899 178.706 176.600 0.346 0.000 1.000 301 E CA 1.688 58.282 56.400 0.324 0.000 0.803 301 E CB -0.445 29.476 29.700 0.369 0.000 0.750 301 E HN 0.539 nan 8.360 nan 0.000 0.448 302 F N 1.154 121.141 119.950 0.061 0.000 2.120 302 F HA -0.261 4.246 4.527 -0.033 0.000 0.300 302 F C 2.202 177.881 175.800 -0.201 0.000 1.095 302 F CA 1.575 59.424 58.000 -0.252 0.000 1.249 302 F CB -0.157 38.620 39.000 -0.372 0.000 0.995 302 F HN -0.032 nan 8.300 nan 0.000 0.480 303 A N -0.190 122.662 122.820 0.054 0.000 1.898 303 A HA -0.167 4.133 4.320 -0.033 0.000 0.216 303 A C 2.077 179.582 177.584 -0.133 0.000 1.181 303 A CA 1.667 53.680 52.037 -0.039 0.000 0.620 303 A CB -0.787 18.222 19.000 0.015 0.000 0.819 303 A HN 0.525 nan 8.150 nan 0.000 0.442 304 E N -1.533 118.628 120.200 -0.066 0.000 2.110 304 E HA -0.244 4.086 4.350 -0.033 0.000 0.193 304 E C 1.730 178.149 176.600 -0.302 0.000 0.988 304 E CA 1.328 57.700 56.400 -0.047 0.000 0.804 304 E CB -0.256 29.575 29.700 0.218 0.000 0.745 304 E HN 0.883 nan 8.360 nan 0.000 0.458 305 W N 1.733 122.485 121.300 -0.913 0.000 2.355 305 W HA -0.175 4.465 4.660 -0.032 0.000 0.309 305 W C 1.727 177.802 176.519 -0.739 0.000 1.206 305 W CA 0.991 57.531 57.345 -1.341 0.000 1.284 305 W CB -0.249 28.449 29.460 -1.270 0.000 1.145 305 W HN -0.077 nan 8.180 nan 0.000 0.502 306 I N 0.604 120.644 120.570 -0.884 0.000 2.127 306 I HA -0.345 3.805 4.170 -0.033 0.000 0.241 306 I C 2.769 178.643 176.117 -0.404 0.000 1.075 306 I CA 1.830 62.660 61.300 -0.784 0.000 1.334 306 I CB -1.983 35.707 38.000 -0.516 0.000 1.040 306 I HN 0.253 nan 8.210 nan 0.000 0.405 307 C N 1.268 120.399 119.300 -0.281 0.000 2.401 307 C HA -0.207 4.233 4.460 -0.033 0.000 0.276 307 C C 2.958 177.848 174.990 -0.167 0.000 1.233 307 C CA 1.185 60.101 59.018 -0.170 0.000 1.753 307 C CB -0.860 26.791 27.740 -0.148 0.000 2.029 307 C HN 0.392 nan 8.230 nan 0.000 0.478 308 K N 0.655 120.919 120.400 -0.227 0.000 2.076 308 K HA -0.041 4.260 4.320 -0.033 0.000 0.204 308 K C 1.860 178.315 176.600 -0.241 0.000 1.051 308 K CA 1.807 57.996 56.287 -0.165 0.000 0.949 308 K CB -0.369 32.095 32.500 -0.060 0.000 0.726 308 K HN 0.819 nan 8.250 nan 0.000 0.443 309 I N -2.762 117.552 120.570 -0.427 0.000 3.226 309 I HA -0.027 4.123 4.170 -0.033 0.000 0.277 309 I C 1.050 176.888 176.117 -0.465 0.000 1.243 309 I CA 0.905 61.907 61.300 -0.497 0.000 1.459 309 I CB -0.093 37.486 38.000 -0.702 0.000 1.093 309 I HN 0.020 nan 8.210 nan 0.000 0.453 310 H N 1.146 120.120 119.070 -0.159 0.000 2.784 310 H HA 0.323 4.859 4.556 -0.033 0.000 0.273 310 H C 0.315 175.632 175.328 -0.018 0.000 1.112 310 H CA 0.003 56.024 56.048 -0.044 0.000 1.162 310 H CB 0.645 30.408 29.762 0.001 0.000 1.586 310 H HN 0.300 nan 8.280 nan 0.000 0.548 311 S N 2.170 117.889 115.700 0.031 0.000 3.405 311 S HA -0.218 4.232 4.470 -0.033 0.000 0.373 311 S C 0.222 174.842 174.600 0.033 0.000 0.939 311 S CA 0.900 59.115 58.200 0.027 0.000 1.295 311 S CB -1.361 61.868 63.200 0.049 0.000 0.919 311 S HN 0.801 nan 8.310 nan 0.000 0.535 312 Q N -2.441 117.353 119.800 -0.011 0.000 2.647 312 Q HA 0.639 4.959 4.340 -0.033 0.000 0.283 312 Q C -3.605 172.307 176.000 -0.148 0.000 0.943 312 Q CA -2.374 53.395 55.803 -0.057 0.000 0.813 312 Q CB 0.984 29.722 28.738 -0.000 0.000 1.477 312 Q HN 0.109 nan 8.270 nan 0.000 0.393 313 P HA 0.116 nan 4.420 nan 0.000 0.269 313 P C -0.919 176.298 177.300 -0.139 0.000 1.209 313 P CA -0.185 62.717 63.100 -0.331 0.000 0.776 313 P CB 0.606 32.040 31.700 -0.442 0.000 0.876 314 C N 4.184 123.380 119.300 -0.173 0.000 2.599 314 C HA 0.323 4.763 4.460 -0.033 0.000 0.354 314 C C -0.335 174.615 174.990 -0.066 0.000 1.092 314 C CA -0.431 58.590 59.018 0.006 0.000 1.280 314 C CB -0.581 27.198 27.740 0.065 0.000 1.829 314 C HN 0.627 nan 8.230 nan 0.000 0.454 315 H N 4.236 123.370 119.070 0.106 0.000 2.546 315 H HA 0.576 5.113 4.556 -0.033 0.000 0.365 315 H C 0.057 175.422 175.328 0.062 0.000 1.220 315 H CA 0.153 56.235 56.048 0.057 0.000 1.386 315 H CB 1.473 31.352 29.762 0.194 0.000 1.510 315 H HN 0.805 nan 8.280 nan 0.000 0.591 316 I N -1.353 119.269 120.570 0.086 0.000 2.498 316 I HA 0.424 4.574 4.170 -0.033 0.000 0.290 316 I C -1.146 175.043 176.117 0.120 0.000 1.032 316 I CA -0.959 60.402 61.300 0.102 0.000 1.073 316 I CB 1.958 39.979 38.000 0.036 0.000 1.251 316 I HN 0.085 nan 8.210 nan 0.000 0.426 317 V N 6.846 126.884 119.914 0.206 0.000 2.326 317 V HA 0.366 4.466 4.120 -0.033 0.000 0.281 317 V C -0.981 175.246 176.094 0.221 0.000 1.015 317 V CA -0.462 61.986 62.300 0.246 0.000 0.823 317 V CB 1.065 33.068 31.823 0.300 0.000 1.009 317 V HN 0.719 nan 8.190 nan 0.000 0.436 318 Y N 3.618 123.949 120.300 0.052 0.000 2.429 318 Y HA 0.770 5.300 4.550 -0.033 0.000 0.342 318 Y C -0.009 175.875 175.900 -0.027 0.000 1.004 318 Y CA -0.130 57.960 58.100 -0.017 0.000 1.075 318 Y CB 2.253 40.691 38.460 -0.037 0.000 1.214 318 Y HN 0.593 nan 8.280 nan 0.000 0.455 319 T N 3.769 117.887 114.554 -0.726 0.000 2.942 319 T HA 0.180 4.511 4.350 -0.033 0.000 0.327 319 T C -0.590 173.730 174.700 -0.634 0.000 1.360 319 T CA -0.697 61.138 62.100 -0.441 0.000 1.055 319 T CB 0.542 69.259 68.868 -0.253 0.000 1.261 319 T HN 0.808 nan 8.240 nan 0.000 0.485 320 N N 2.631 121.201 118.700 -0.218 0.000 2.280 320 N HA 0.130 4.850 4.740 -0.033 0.000 0.192 320 N C 0.266 175.827 175.510 0.084 0.000 1.109 320 N CA -0.395 52.594 53.050 -0.101 0.000 0.855 320 N CB -0.367 38.182 38.487 0.104 0.000 0.974 320 N HN 0.446 nan 8.380 nan 0.000 0.482 321 F N 2.404 122.268 119.950 -0.143 0.000 2.623 321 F HA 0.015 4.523 4.527 -0.033 0.000 0.381 321 F C 0.389 176.099 175.800 -0.151 0.000 1.081 321 F CA 0.067 57.893 58.000 -0.289 0.000 1.293 321 F CB 0.412 39.093 39.000 -0.531 0.000 1.006 321 F HN 0.026 nan 8.300 nan 0.000 0.578 322 R N 7.543 127.505 120.500 -0.898 0.000 2.467 322 R HA 0.227 4.548 4.340 -0.033 0.000 0.299 322 R C -1.933 173.750 176.300 -1.029 0.000 1.120 322 R CA -1.600 54.026 56.100 -0.790 0.000 0.940 322 R CB 1.478 31.535 30.300 -0.405 0.000 1.161 322 R HN 0.393 nan 8.270 nan 0.000 0.506 323 P HA -0.167 nan 4.420 nan 0.000 0.215 323 P C 0.351 177.454 177.300 -0.328 0.000 1.163 323 P CA 1.466 64.174 63.100 -0.654 0.000 0.894 323 P CB 0.177 31.669 31.700 -0.347 0.000 0.791 324 T N -3.513 110.875 114.554 -0.276 0.000 2.753 324 T HA 0.484 4.814 4.350 -0.033 0.000 0.297 324 T C -2.807 171.777 174.700 -0.194 0.000 0.981 324 T CA -2.627 59.359 62.100 -0.189 0.000 0.956 324 T CB 0.767 69.542 68.868 -0.154 0.000 0.936 324 T HN -0.171 nan 8.240 nan 0.000 0.463 325 P HA 0.209 nan 4.420 nan 0.000 0.266 325 P C -0.523 176.693 177.300 -0.139 0.000 1.195 325 P CA -0.272 62.752 63.100 -0.127 0.000 0.768 325 P CB 0.458 32.113 31.700 -0.076 0.000 0.838 326 L N 3.073 124.205 121.223 -0.151 0.000 2.331 326 L HA 0.430 4.751 4.340 -0.033 0.000 0.275 326 L C 0.544 177.253 176.870 -0.269 0.000 1.022 326 L CA -0.639 54.058 54.840 -0.238 0.000 0.812 326 L CB 1.279 43.149 42.059 -0.316 0.000 1.257 326 L HN 0.287 nan 8.230 nan 0.000 0.435 327 Q N 2.030 121.647 119.800 -0.306 0.000 2.333 327 Q HA 0.431 4.751 4.340 -0.033 0.000 0.267 327 Q C -1.320 174.423 176.000 -0.428 0.000 1.012 327 Q CA -0.725 54.902 55.803 -0.294 0.000 0.824 327 Q CB 2.378 31.052 28.738 -0.108 0.000 1.290 327 Q HN 0.476 nan 8.270 nan 0.000 0.449 328 H N 2.282 121.233 119.070 -0.198 0.000 2.511 328 H HA 0.318 4.855 4.556 -0.033 0.000 0.328 328 H C -1.133 174.074 175.328 -0.203 0.000 1.044 328 H CA -0.266 55.760 56.048 -0.037 0.000 1.212 328 H CB 0.799 30.619 29.762 0.096 0.000 1.428 328 H HN 0.574 nan 8.280 nan 0.000 0.483 329 Y N 1.587 122.053 120.300 0.276 0.000 2.485 329 Y HA 0.356 4.886 4.550 -0.033 0.000 0.345 329 Y C 0.095 176.171 175.900 0.294 0.000 0.998 329 Y CA -0.801 57.448 58.100 0.249 0.000 1.059 329 Y CB 1.977 40.559 38.460 0.203 0.000 1.234 329 Y HN 0.346 nan 8.280 nan 0.000 0.461 330 L N 3.078 124.576 121.223 0.458 0.000 2.317 330 L HA 0.426 4.746 4.340 -0.033 0.000 0.281 330 L C -1.231 175.923 176.870 0.473 0.000 1.024 330 L CA -0.732 54.347 54.840 0.398 0.000 0.810 330 L CB 1.540 43.769 42.059 0.283 0.000 1.240 330 L HN 0.582 nan 8.230 nan 0.000 0.427 331 F N 5.456 125.558 119.950 0.253 0.000 2.434 331 F HA 0.498 5.005 4.527 -0.033 0.000 0.367 331 F C -2.345 173.553 175.800 0.164 0.000 1.093 331 F CA -2.536 55.594 58.000 0.217 0.000 1.085 331 F CB 1.138 40.238 39.000 0.166 0.000 1.322 331 F HN 0.194 nan 8.300 nan 0.000 0.452 332 P HA 0.116 nan 4.420 nan 0.000 0.263 332 P C -0.541 176.422 177.300 -0.562 0.000 1.195 332 P CA 0.133 63.056 63.100 -0.294 0.000 0.762 332 P CB 0.673 32.251 31.700 -0.202 0.000 0.799 333 A N 3.598 126.237 122.820 -0.302 0.000 2.483 333 A HA 0.075 4.375 4.320 -0.033 0.000 0.238 333 A C 0.452 177.881 177.584 -0.258 0.000 1.070 333 A CA 0.300 52.134 52.037 -0.337 0.000 0.770 333 A CB -1.017 17.798 19.000 -0.308 0.000 1.008 333 A HN 0.861 nan 8.150 nan 0.000 0.497 334 H N -0.982 118.086 119.070 -0.002 0.000 3.211 334 H HA -0.198 4.338 4.556 -0.033 0.000 0.240 334 H C 0.760 176.082 175.328 -0.010 0.000 1.148 334 H CA 1.071 57.138 56.048 0.032 0.000 1.160 334 H CB -1.681 28.100 29.762 0.032 0.000 1.232 334 H HN 1.101 nan 8.280 nan 0.000 0.321 335 G N -0.835 107.934 108.800 -0.051 0.000 2.820 335 G HA2 0.440 4.380 3.960 -0.033 0.000 0.291 335 G HA3 0.440 4.380 3.960 -0.033 0.000 0.291 335 G C 0.068 174.985 174.900 0.028 0.000 1.323 335 G CA -0.207 44.870 45.100 -0.038 0.000 1.055 335 G HN 0.189 nan 8.290 nan 0.000 0.520 336 D N -0.663 119.779 120.400 0.070 0.000 2.469 336 D HA 0.190 4.810 4.640 -0.033 0.000 0.215 336 D C 1.085 177.452 176.300 0.111 0.000 1.154 336 D CA 0.020 54.101 54.000 0.135 0.000 0.832 336 D CB 1.086 41.944 40.800 0.096 0.000 1.008 336 D HN 0.418 nan 8.370 nan 0.000 0.506 337 G N 0.812 109.654 108.800 0.070 0.000 2.451 337 G HA2 0.533 4.473 3.960 -0.033 0.000 0.303 337 G HA3 0.533 4.473 3.960 -0.033 0.000 0.303 337 G C -0.796 174.106 174.900 0.003 0.000 1.166 337 G CA -0.270 44.801 45.100 -0.048 0.000 0.884 337 G HN 0.070 nan 8.290 nan 0.000 0.514 338 I N 0.347 120.733 120.570 -0.307 0.000 2.571 338 I HA 0.506 4.656 4.170 -0.033 0.000 0.286 338 I C -1.771 174.247 176.117 -0.165 0.000 1.134 338 I CA -1.162 60.135 61.300 -0.005 0.000 1.052 338 I CB 1.258 39.291 38.000 0.056 0.000 1.237 338 I HN 0.463 nan 8.210 nan 0.000 0.435 339 Y N 6.709 127.178 120.300 0.282 0.000 2.364 339 Y HA 0.587 5.118 4.550 -0.033 0.000 0.340 339 Y C -0.469 175.603 175.900 0.287 0.000 0.975 339 Y CA -1.086 57.158 58.100 0.239 0.000 1.089 339 Y CB 1.850 40.377 38.460 0.113 0.000 1.192 339 Y HN 0.488 nan 8.280 nan 0.000 0.454 340 L N 5.021 126.412 121.223 0.281 0.000 2.315 340 L HA 0.258 4.578 4.340 -0.033 0.000 0.283 340 L C 0.558 177.390 176.870 -0.064 0.000 1.089 340 L CA 0.088 54.867 54.840 -0.101 0.000 0.833 340 L CB 0.601 42.555 42.059 -0.174 0.000 1.170 340 L HN 0.745 nan 8.230 nan 0.000 0.442 341 V N 2.916 122.768 119.914 -0.103 0.000 3.523 341 V HA 0.383 4.483 4.120 -0.033 0.000 0.255 341 V C 0.268 176.166 176.094 -0.326 0.000 1.226 341 V CA 0.106 62.264 62.300 -0.236 0.000 1.092 341 V CB 0.507 32.253 31.823 -0.128 0.000 0.817 341 V HN 0.388 nan 8.190 nan 0.000 0.458 342 V N 3.226 123.072 119.914 -0.115 0.000 2.567 342 V HA 0.476 4.576 4.120 -0.033 0.000 0.298 342 V C -0.954 175.173 176.094 0.055 0.000 1.047 342 V CA -0.525 61.771 62.300 -0.007 0.000 0.880 342 V CB 1.817 33.662 31.823 0.036 0.000 1.009 342 V HN 0.667 nan 8.190 nan 0.000 0.429 343 D N 2.882 123.292 120.400 0.017 0.000 2.478 343 D HA 0.278 4.898 4.640 -0.033 0.000 0.274 343 D C 0.783 177.109 176.300 0.044 0.000 1.234 343 D CA -0.554 53.446 54.000 0.001 0.000 1.069 343 D CB 0.888 41.681 40.800 -0.011 0.000 1.113 343 D HN 0.375 nan 8.370 nan 0.000 0.571 344 E N -1.237 118.971 120.200 0.014 0.000 2.338 344 E HA -0.047 4.284 4.350 -0.033 0.000 0.197 344 E C 0.918 177.541 176.600 0.037 0.000 1.007 344 E CA 0.845 57.254 56.400 0.015 0.000 0.849 344 E CB -0.134 29.563 29.700 -0.004 0.000 0.774 344 E HN 0.369 nan 8.360 nan 0.000 0.506 345 K N -0.120 120.306 120.400 0.044 0.000 2.410 345 K HA 0.197 4.498 4.320 -0.033 0.000 0.200 345 K C -0.072 176.564 176.600 0.059 0.000 1.023 345 K CA 0.119 56.438 56.287 0.052 0.000 1.149 345 K CB 0.494 33.022 32.500 0.046 0.000 0.859 345 K HN -0.104 nan 8.250 nan 0.000 0.514 346 S N 0.759 116.501 115.700 0.070 0.000 3.561 346 S HA -0.117 4.333 4.470 -0.033 0.000 0.318 346 S C -0.008 174.632 174.600 0.066 0.000 1.181 346 S CA 0.872 59.115 58.200 0.072 0.000 0.916 346 S CB -1.450 61.787 63.200 0.061 0.000 0.966 346 S HN 0.396 nan 8.310 nan 0.000 0.550 347 T N 2.106 116.697 114.554 0.061 0.000 2.794 347 T HA 0.418 4.749 4.350 -0.033 0.000 0.296 347 T C -0.188 174.560 174.700 0.079 0.000 0.949 347 T CA -0.180 61.960 62.100 0.066 0.000 1.101 347 T CB 0.243 69.137 68.868 0.044 0.000 0.905 347 T HN 0.288 nan 8.240 nan 0.000 0.516 348 F N 4.934 124.855 119.950 -0.048 0.000 2.471 348 F HA 0.280 4.788 4.527 -0.033 0.000 0.365 348 F C 0.740 176.517 175.800 -0.039 0.000 1.095 348 F CA -0.974 56.982 58.000 -0.073 0.000 1.174 348 F CB 0.436 39.358 39.000 -0.130 0.000 1.105 348 F HN 0.257 nan 8.300 nan 0.000 0.535 349 R N 5.504 125.713 120.500 -0.485 0.000 2.441 349 R HA 0.028 4.348 4.340 -0.033 0.000 0.300 349 R C 1.047 177.154 176.300 -0.321 0.000 1.284 349 R CA 0.053 55.979 56.100 -0.290 0.000 1.069 349 R CB -0.071 30.107 30.300 -0.203 0.000 1.087 349 R HN 0.788 nan 8.270 nan 0.000 0.519 350 E N 1.536 121.707 120.200 -0.049 0.000 2.058 350 E HA -0.211 4.119 4.350 -0.033 0.000 0.194 350 E C 1.413 178.081 176.600 0.115 0.000 0.997 350 E CA 1.478 57.955 56.400 0.130 0.000 0.801 350 E CB 0.207 30.014 29.700 0.178 0.000 0.746 350 E HN 0.561 nan 8.360 nan 0.000 0.450 351 E N -0.241 119.996 120.200 0.061 0.000 2.107 351 E HA -0.148 4.183 4.350 -0.033 0.000 0.191 351 E C 1.694 178.323 176.600 0.048 0.000 0.982 351 E CA 0.598 57.033 56.400 0.059 0.000 0.809 351 E CB 0.087 29.815 29.700 0.047 0.000 0.756 351 E HN 0.170 nan 8.360 nan 0.000 0.459 352 N N 0.336 119.061 118.700 0.041 0.000 2.149 352 N HA -0.174 4.546 4.740 -0.033 0.000 0.188 352 N C 1.554 177.071 175.510 0.012 0.000 1.019 352 N CA 0.818 53.912 53.050 0.075 0.000 0.857 352 N CB -0.422 38.117 38.487 0.086 0.000 0.997 352 N HN 0.178 nan 8.380 nan 0.000 0.426 353 F N 2.011 121.865 119.950 -0.160 0.000 2.146 353 F HA -0.110 4.397 4.527 -0.033 0.000 0.298 353 F C 2.292 178.018 175.800 -0.123 0.000 1.096 353 F CA 1.290 59.192 58.000 -0.162 0.000 1.275 353 F CB -0.197 38.712 39.000 -0.152 0.000 1.008 353 F HN 0.053 nan 8.300 nan 0.000 0.480 354 Q N 0.181 119.967 119.800 -0.023 0.000 2.124 354 Q HA -0.219 4.101 4.340 -0.033 0.000 0.202 354 Q C 2.114 177.988 176.000 -0.210 0.000 0.977 354 Q CA 1.829 57.573 55.803 -0.097 0.000 0.850 354 Q CB -0.184 28.567 28.738 0.022 0.000 0.901 354 Q HN 0.458 nan 8.270 nan 0.000 0.429 355 K N 0.229 120.507 120.400 -0.203 0.000 2.057 355 K HA -0.067 4.234 4.320 -0.033 0.000 0.206 355 K C 2.134 178.389 176.600 -0.574 0.000 1.050 355 K CA 1.024 57.168 56.287 -0.239 0.000 0.935 355 K CB -0.131 32.343 32.500 -0.044 0.000 0.715 355 K HN 0.118 nan 8.250 nan 0.000 0.439 356 A N 1.408 123.682 122.820 -0.910 0.000 1.902 356 A HA -0.151 4.149 4.320 -0.033 0.000 0.217 356 A C 2.122 179.315 177.584 -0.650 0.000 1.181 356 A CA 1.414 52.761 52.037 -1.149 0.000 0.623 356 A CB -0.324 18.143 19.000 -0.889 0.000 0.818 356 A HN 0.120 nan 8.150 nan 0.000 0.443 357 M N -0.502 118.723 119.600 -0.625 0.000 2.254 357 M HA -0.008 4.452 4.480 -0.033 0.000 0.265 357 M C 2.397 178.532 176.300 -0.274 0.000 1.066 357 M CA 1.317 56.347 55.300 -0.451 0.000 1.123 357 M CB -1.437 30.853 32.600 -0.517 0.000 1.388 357 M HN 0.486 nan 8.290 nan 0.000 0.425 358 A N 0.305 122.972 122.820 -0.255 0.000 2.015 358 A HA -0.071 4.230 4.320 -0.033 0.000 0.219 358 A C 2.191 179.701 177.584 -0.124 0.000 1.163 358 A CA 1.778 53.723 52.037 -0.152 0.000 0.646 358 A CB -0.682 18.247 19.000 -0.118 0.000 0.806 358 A HN 0.580 nan 8.150 nan 0.000 0.448 359 S N -0.895 114.707 115.700 -0.163 0.000 2.671 359 S HA 0.335 4.785 4.470 -0.033 0.000 0.220 359 S C 0.320 174.870 174.600 -0.084 0.000 0.951 359 S CA -0.388 57.756 58.200 -0.094 0.000 0.932 359 S CB -0.526 62.640 63.200 -0.056 0.000 0.777 359 S HN 0.361 nan 8.310 nan 0.000 0.508 360 I N 3.364 123.873 120.570 -0.101 0.000 2.342 360 I HA 0.220 4.370 4.170 -0.033 0.000 0.291 360 I C 0.846 176.947 176.117 -0.027 0.000 1.010 360 I CA -0.525 60.737 61.300 -0.063 0.000 1.308 360 I CB 1.536 39.492 38.000 -0.074 0.000 1.400 360 I HN 0.359 nan 8.210 nan 0.000 0.488 393 D N 0.854 121.378 120.400 0.207 0.000 2.091 393 D HA 0.009 4.629 4.640 -0.033 0.000 0.199 393 D C 2.554 178.913 176.300 0.098 0.000 0.980 393 D CA 0.885 55.018 54.000 0.221 0.000 0.831 393 D CB -0.074 40.922 40.800 0.327 0.000 0.987 393 D HN 0.233 nan 8.370 nan 0.000 0.460 394 I N 0.155 120.805 120.570 0.134 0.000 2.335 394 I HA -0.257 3.893 4.170 -0.033 0.000 0.251 394 I C 2.214 178.413 176.117 0.137 0.000 1.129 394 I CA 0.910 62.276 61.300 0.112 0.000 1.402 394 I CB -0.437 37.681 38.000 0.197 0.000 1.069 394 I HN 0.052 nan 8.210 nan 0.000 0.424 395 Y N 1.433 121.786 120.300 0.088 0.000 2.163 395 Y HA -0.238 4.292 4.550 -0.033 0.000 0.288 395 Y C 2.500 178.440 175.900 0.066 0.000 1.136 395 Y CA 1.638 59.797 58.100 0.098 0.000 1.147 395 Y CB -0.050 38.465 38.460 0.092 0.000 0.987 395 Y HN -0.014 nan 8.280 nan 0.000 0.509 396 K N 0.164 120.739 120.400 0.292 0.000 2.020 396 K HA -0.232 4.069 4.320 -0.033 0.000 0.212 396 K C 1.967 178.576 176.600 0.016 0.000 1.050 396 K CA 2.217 58.606 56.287 0.171 0.000 0.929 396 K CB -0.424 32.163 32.500 0.145 0.000 0.714 396 K HN 0.387 nan 8.250 nan 0.000 0.443 397 I N 0.726 121.230 120.570 -0.111 0.000 2.179 397 I HA -0.282 3.868 4.170 -0.033 0.000 0.242 397 I C 2.335 178.386 176.117 -0.110 0.000 1.088 397 I CA 1.094 62.267 61.300 -0.211 0.000 1.357 397 I CB -0.378 37.410 38.000 -0.355 0.000 1.051 397 I HN -0.043 nan 8.210 nan 0.000 0.409 398 V N 1.373 121.240 119.914 -0.078 0.000 2.287 398 V HA -0.350 3.751 4.120 -0.033 0.000 0.248 398 V C 3.062 179.177 176.094 0.035 0.000 1.053 398 V CA 2.700 64.966 62.300 -0.056 0.000 1.027 398 V CB -1.266 30.512 31.823 -0.074 0.000 0.646 398 V HN 0.554 nan 8.190 nan 0.000 0.447 399 K N -0.307 120.104 120.400 0.019 0.000 2.103 399 K HA -0.185 4.115 4.320 -0.033 0.000 0.207 399 K C 2.084 178.739 176.600 0.092 0.000 1.048 399 K CA 2.251 58.602 56.287 0.107 0.000 0.930 399 K CB -0.777 31.776 32.500 0.090 0.000 0.716 399 K HN 0.520 nan 8.250 nan 0.000 0.444 400 M N -0.499 119.110 119.600 0.015 0.000 2.229 400 M HA 0.018 4.478 4.480 -0.033 0.000 0.264 400 M C 2.094 178.343 176.300 -0.083 0.000 1.063 400 M CA 1.518 56.790 55.300 -0.047 0.000 1.114 400 M CB -0.191 32.362 32.600 -0.078 0.000 1.387 400 M HN 0.389 nan 8.290 nan 0.000 0.420 401 I N -0.822 119.727 120.570 -0.034 0.000 2.277 401 I HA -0.284 3.866 4.170 -0.033 0.000 0.243 401 I C 2.283 178.436 176.117 0.061 0.000 1.094 401 I CA 1.071 62.357 61.300 -0.022 0.000 1.393 401 I CB -0.504 37.499 38.000 0.005 0.000 1.078 401 I HN 0.562 nan 8.210 nan 0.000 0.417 402 W N 2.518 123.786 121.300 -0.053 0.000 2.392 402 W HA -0.283 4.357 4.660 -0.033 0.000 0.279 402 W C 2.403 178.920 176.519 -0.004 0.000 1.225 402 W CA 1.673 59.026 57.345 0.014 0.000 1.233 402 W CB 0.137 29.727 29.460 0.218 0.000 1.122 402 W HN 0.052 nan 8.180 nan 0.000 0.561 403 K N 0.843 121.148 120.400 -0.157 0.000 2.076 403 K HA -0.092 4.208 4.320 -0.033 0.000 0.204 403 K C 1.983 178.391 176.600 -0.321 0.000 1.051 403 K CA 2.059 58.170 56.287 -0.293 0.000 0.949 403 K CB -1.389 31.020 32.500 -0.152 0.000 0.726 403 K HN 0.211 nan 8.250 nan 0.000 0.443 404 K N 0.895 121.104 120.400 -0.319 0.000 2.525 404 K HA 0.107 4.407 4.320 -0.033 0.000 0.192 404 K C 0.799 177.141 176.600 -0.430 0.000 1.029 404 K CA 0.715 56.731 56.287 -0.451 0.000 1.029 404 K CB -0.361 31.723 32.500 -0.694 0.000 0.814 404 K HN 0.369 nan 8.250 nan 0.000 0.503 405 K N -0.462 119.771 120.400 -0.278 0.000 3.239 405 K HA -0.154 4.146 4.320 -0.033 0.000 0.270 405 K C -0.779 175.926 176.600 0.175 0.000 1.049 405 K CA 0.680 56.898 56.287 -0.116 0.000 0.769 405 K CB -2.204 30.209 32.500 -0.145 0.000 1.305 405 K HN 0.595 nan 8.250 nan 0.000 0.469 406 Y N 0.016 120.290 120.300 -0.043 0.000 2.555 406 Y HA 0.085 4.615 4.550 -0.033 0.000 0.259 406 Y C 1.255 177.135 175.900 -0.033 0.000 1.179 406 Y CA -1.293 56.782 58.100 -0.043 0.000 1.230 406 Y CB 0.009 38.434 38.460 -0.058 0.000 1.146 406 Y HN 0.281 nan 8.280 nan 0.000 0.526 407 N N 2.030 120.823 118.700 0.155 0.000 2.424 407 N HA 0.110 4.831 4.740 -0.033 0.000 0.257 407 N C -2.834 172.667 175.510 -0.016 0.000 1.250 407 N CA -1.295 51.785 53.050 0.050 0.000 0.946 407 N CB 0.425 38.961 38.487 0.081 0.000 1.175 407 N HN -0.018 nan 8.380 nan 0.000 0.477 408 P HA 0.108 nan 4.420 nan 0.000 0.274 408 P C -0.599 176.664 177.300 -0.062 0.000 1.231 408 P CA -0.373 62.622 63.100 -0.174 0.000 0.790 408 P CB 1.120 32.560 31.700 -0.434 0.000 0.951 409 V N 3.362 123.228 119.914 -0.081 0.000 2.823 409 V HA 0.539 4.639 4.120 -0.033 0.000 0.312 409 V C -0.644 175.348 176.094 -0.170 0.000 1.072 409 V CA -1.141 61.097 62.300 -0.104 0.000 0.937 409 V CB 1.775 33.499 31.823 -0.166 0.000 1.013 409 V HN 0.334 nan 8.190 nan 0.000 0.430 410 I N 5.596 126.021 120.570 -0.242 0.000 2.433 410 I HA 0.512 4.662 4.170 -0.033 0.000 0.292 410 I C -0.884 174.879 176.117 -0.591 0.000 1.001 410 I CA -0.959 60.042 61.300 -0.499 0.000 1.119 410 I CB 2.083 39.727 38.000 -0.594 0.000 1.289 410 I HN 0.272 nan 8.210 nan 0.000 0.438 411 V N 6.504 126.011 119.914 -0.678 0.000 2.326 411 V HA 0.336 4.436 4.120 -0.033 0.000 0.281 411 V C -0.403 175.504 176.094 -0.312 0.000 1.015 411 V CA -0.485 61.558 62.300 -0.429 0.000 0.823 411 V CB 0.677 32.263 31.823 -0.395 0.000 1.009 411 V HN 0.372 nan 8.190 nan 0.000 0.436 412 F N 2.495 122.432 119.950 -0.022 0.000 2.427 412 F HA 0.505 5.012 4.527 -0.033 0.000 0.352 412 F C 1.070 176.979 175.800 0.182 0.000 1.100 412 F CA 0.414 58.475 58.000 0.103 0.000 1.191 412 F CB 1.215 40.321 39.000 0.178 0.000 1.128 412 F HN 0.408 nan 8.300 nan 0.000 0.533 413 S N 1.084 116.984 115.700 0.334 0.000 2.689 413 S HA 0.630 5.081 4.470 -0.033 0.000 0.306 413 S C 0.719 175.468 174.600 0.248 0.000 1.104 413 S CA -0.383 57.979 58.200 0.270 0.000 0.973 413 S CB 1.134 64.454 63.200 0.201 0.000 1.121 413 S HN 0.553 nan 8.310 nan 0.000 0.523 414 F N 0.304 120.378 119.950 0.208 0.000 2.754 414 F HA 0.466 4.973 4.527 -0.033 0.000 0.297 414 F C 1.076 176.940 175.800 0.106 0.000 1.122 414 F CA 0.349 58.457 58.000 0.181 0.000 1.400 414 F CB -0.762 38.368 39.000 0.216 0.000 1.117 414 F HN 0.643 nan 8.300 nan 0.000 0.587 415 S N -1.766 113.976 115.700 0.070 0.000 2.564 415 S HA 0.394 4.845 4.470 -0.033 0.000 0.274 415 S C 0.275 174.832 174.600 -0.072 0.000 1.124 415 S CA -0.264 57.929 58.200 -0.012 0.000 0.869 415 S CB 1.868 65.053 63.200 -0.026 0.000 1.105 415 S HN 0.317 nan 8.310 nan 0.000 0.472 416 K N 0.886 121.159 120.400 -0.212 0.000 2.032 416 K HA -0.118 4.182 4.320 -0.033 0.000 0.209 416 K C 2.559 179.009 176.600 -0.250 0.000 1.048 416 K CA 1.340 57.337 56.287 -0.483 0.000 0.927 416 K CB -0.405 31.560 32.500 -0.891 0.000 0.712 416 K HN 0.464 nan 8.250 nan 0.000 0.441 417 R N 1.526 121.961 120.500 -0.108 0.000 2.119 417 R HA -0.197 4.123 4.340 -0.033 0.000 0.246 417 R C 1.618 177.911 176.300 -0.012 0.000 1.146 417 R CA 2.253 58.344 56.100 -0.015 0.000 0.962 417 R CB -1.058 29.243 30.300 0.001 0.000 0.863 417 R HN 0.367 nan 8.270 nan 0.000 0.442 418 D N -0.550 119.846 120.400 -0.006 0.000 2.117 418 D HA -0.073 4.547 4.640 -0.033 0.000 0.197 418 D C 2.057 178.361 176.300 0.006 0.000 0.987 418 D CA 1.805 55.817 54.000 0.020 0.000 0.829 418 D CB -0.625 40.214 40.800 0.065 0.000 0.961 418 D HN 0.445 nan 8.370 nan 0.000 0.460 419 C N 0.798 120.113 119.300 0.026 0.000 2.411 419 C HA -0.099 4.341 4.460 -0.033 0.000 0.279 419 C C 2.500 177.478 174.990 -0.021 0.000 1.288 419 C CA 0.544 59.600 59.018 0.063 0.000 1.764 419 C CB -0.783 27.050 27.740 0.154 0.000 1.974 419 C HN 0.408 nan 8.230 nan 0.000 0.498 420 E N 0.264 120.464 120.200 -0.000 0.000 2.122 420 E HA -0.111 4.220 4.350 -0.033 0.000 0.190 420 E C 2.103 178.658 176.600 -0.076 0.000 0.977 420 E CA 0.671 57.070 56.400 -0.001 0.000 0.820 420 E CB -0.091 29.654 29.700 0.076 0.000 0.770 420 E HN 0.658 nan 8.360 nan 0.000 0.462 421 E N 0.855 121.010 120.200 -0.075 0.000 2.047 421 E HA -0.133 4.197 4.350 -0.033 0.000 0.191 421 E C 2.154 178.659 176.600 -0.158 0.000 0.987 421 E CA 0.677 57.029 56.400 -0.080 0.000 0.799 421 E CB -0.015 29.663 29.700 -0.037 0.000 0.752 421 E HN 0.203 nan 8.360 nan 0.000 0.449 422 L N 0.711 121.777 121.223 -0.261 0.000 2.131 422 L HA -0.191 4.129 4.340 -0.033 0.000 0.210 422 L C 2.543 178.919 176.870 -0.822 0.000 1.092 422 L CA 0.799 55.351 54.840 -0.480 0.000 0.759 422 L CB -0.441 41.283 42.059 -0.559 0.000 0.903 422 L HN 0.160 nan 8.230 nan 0.000 0.435 423 A N 0.242 122.606 122.820 -0.761 0.000 1.877 423 A HA -0.174 4.127 4.320 -0.033 0.000 0.216 423 A C 2.198 179.663 177.584 -0.199 0.000 1.186 423 A CA 1.383 53.117 52.037 -0.504 0.000 0.620 423 A CB -0.692 18.177 19.000 -0.219 0.000 0.822 423 A HN 0.363 nan 8.150 nan 0.000 0.443 424 L N -0.749 120.393 121.223 -0.134 0.000 2.191 424 L HA -0.149 4.171 4.340 -0.033 0.000 0.212 424 L C 2.052 178.911 176.870 -0.017 0.000 1.103 424 L CA 1.267 56.077 54.840 -0.051 0.000 0.769 424 L CB -0.384 41.652 42.059 -0.038 0.000 0.908 424 L HN 0.371 nan 8.230 nan 0.000 0.438 425 K N -0.535 119.848 120.400 -0.028 0.000 2.525 425 K HA 0.016 4.316 4.320 -0.033 0.000 0.192 425 K C 1.398 178.106 176.600 0.179 0.000 1.029 425 K CA 0.484 56.810 56.287 0.064 0.000 1.029 425 K CB 0.227 32.770 32.500 0.072 0.000 0.814 425 K HN 0.286 nan 8.250 nan 0.000 0.503 426 M N -0.648 119.016 119.600 0.107 0.000 2.338 426 M HA 0.023 4.484 4.480 -0.033 0.000 0.276 426 M C 1.552 177.919 176.300 0.110 0.000 1.057 426 M CA 0.624 56.016 55.300 0.153 0.000 1.079 426 M CB 0.213 32.928 32.600 0.193 0.000 1.547 426 M HN -0.039 nan 8.290 nan 0.000 0.549 427 S N 0.104 115.847 115.700 0.073 0.000 2.584 427 S HA -0.081 4.369 4.470 -0.033 0.000 0.240 427 S C 1.821 176.440 174.600 0.031 0.000 0.975 427 S CA 0.745 58.971 58.200 0.043 0.000 0.949 427 S CB -0.677 62.541 63.200 0.028 0.000 0.761 427 S HN 0.352 nan 8.310 nan 0.000 0.536 428 K N 0.974 121.413 120.400 0.066 0.000 2.007 428 K HA 0.267 4.567 4.320 -0.033 0.000 0.206 428 K C 1.141 177.741 176.600 0.000 0.000 1.047 428 K CA 0.488 56.812 56.287 0.062 0.000 0.937 428 K CB -1.013 31.573 32.500 0.143 0.000 0.718 428 K HN 0.515 nan 8.250 nan 0.000 0.438 429 L N 1.223 122.418 121.223 -0.047 0.000 2.476 429 L HA 0.273 4.594 4.340 -0.033 0.000 0.255 429 L C -0.121 176.515 176.870 -0.390 0.000 1.218 429 L CA -0.107 54.559 54.840 -0.288 0.000 0.819 429 L CB 0.219 41.959 42.059 -0.531 0.000 1.119 429 L HN 0.296 nan 8.230 nan 0.000 0.485 430 D N -1.229 118.808 120.400 -0.605 0.000 2.764 430 D HA 0.291 4.912 4.640 -0.033 0.000 0.227 430 D C -0.405 175.541 176.300 -0.590 0.000 1.347 430 D CA -0.388 53.347 54.000 -0.441 0.000 0.953 430 D CB 0.914 41.601 40.800 -0.188 0.000 1.476 430 D HN 0.229 nan 8.370 nan 0.000 0.585 431 F N 0.970 120.745 119.950 -0.292 0.000 2.731 431 F HA 0.367 4.874 4.527 -0.033 0.000 0.298 431 F C 0.867 176.519 175.800 -0.247 0.000 1.106 431 F CA -0.385 57.293 58.000 -0.535 0.000 1.329 431 F CB 0.231 38.680 39.000 -0.917 0.000 1.100 431 F HN 0.177 nan 8.300 nan 0.000 0.592 432 N N 0.458 119.179 118.700 0.034 0.000 2.443 432 N HA 0.212 4.933 4.740 -0.033 0.000 0.295 432 N C -0.201 175.357 175.510 0.080 0.000 1.076 432 N CA -0.185 52.912 53.050 0.078 0.000 0.919 432 N CB 1.491 40.030 38.487 0.087 0.000 1.176 432 N HN -0.017 nan 8.380 nan 0.000 0.487 433 S N 0.255 116.017 115.700 0.103 0.000 2.592 433 S HA 0.179 4.629 4.470 -0.033 0.000 0.271 433 S C 0.409 175.052 174.600 0.072 0.000 1.326 433 S CA -0.419 57.831 58.200 0.085 0.000 1.024 433 S CB 0.924 64.177 63.200 0.089 0.000 0.921 433 S HN 0.378 nan 8.310 nan 0.000 0.527 434 D N 1.307 121.737 120.400 0.051 0.000 2.263 434 D HA 0.039 4.660 4.640 -0.033 0.000 0.208 434 D C 1.951 178.278 176.300 0.046 0.000 0.971 434 D CA 1.729 55.751 54.000 0.037 0.000 0.867 434 D CB -0.482 40.332 40.800 0.024 0.000 0.929 434 D HN 0.868 nan 8.370 nan 0.000 0.492 435 D N 0.448 120.884 120.400 0.061 0.000 2.178 435 D HA -0.114 4.507 4.640 -0.033 0.000 0.202 435 D C 1.770 178.139 176.300 0.114 0.000 0.974 435 D CA 0.893 54.935 54.000 0.071 0.000 0.841 435 D CB -0.459 40.382 40.800 0.068 0.000 0.953 435 D HN 0.307 nan 8.370 nan 0.000 0.478 436 E N -0.191 120.099 120.200 0.150 0.000 2.122 436 E HA -0.045 4.285 4.350 -0.033 0.000 0.190 436 E C 2.186 178.875 176.600 0.148 0.000 0.977 436 E CA 0.522 57.091 56.400 0.281 0.000 0.820 436 E CB 0.037 29.920 29.700 0.305 0.000 0.770 436 E HN 0.422 nan 8.360 nan 0.000 0.462 437 K N 0.534 120.975 120.400 0.070 0.000 2.360 437 K HA -0.130 4.170 4.320 -0.033 0.000 0.201 437 K C 2.213 178.783 176.600 -0.049 0.000 1.046 437 K CA 1.244 57.526 56.287 -0.007 0.000 0.945 437 K CB -0.047 32.452 32.500 -0.002 0.000 0.750 437 K HN 0.179 nan 8.250 nan 0.000 0.464 438 E N 1.402 121.589 120.200 -0.021 0.000 2.021 438 E HA 0.019 4.349 4.350 -0.033 0.000 0.189 438 E C 2.063 178.616 176.600 -0.078 0.000 0.980 438 E CA 0.945 57.327 56.400 -0.031 0.000 0.803 438 E CB -0.734 28.969 29.700 0.004 0.000 0.766 438 E HN 0.333 nan 8.360 nan 0.000 0.449 439 A N 0.469 123.240 122.820 -0.083 0.000 1.933 439 A HA 0.034 4.334 4.320 -0.033 0.000 0.218 439 A C 2.458 179.775 177.584 -0.445 0.000 1.175 439 A CA 1.616 53.555 52.037 -0.164 0.000 0.628 439 A CB -0.621 18.383 19.000 0.007 0.000 0.814 439 A HN 0.587 nan 8.150 nan 0.000 0.444 440 L N -0.510 120.309 121.223 -0.674 0.000 1.970 440 L HA -0.200 4.121 4.340 -0.033 0.000 0.212 440 L C 2.547 179.253 176.870 -0.273 0.000 1.071 440 L CA 2.509 56.931 54.840 -0.696 0.000 0.751 440 L CB -0.651 41.121 42.059 -0.477 0.000 0.889 440 L HN 0.393 nan 8.230 nan 0.000 0.432 441 T N -0.505 113.950 114.554 -0.165 0.000 2.788 441 T HA -0.240 4.090 4.350 -0.033 0.000 0.268 441 T C 1.786 176.499 174.700 0.021 0.000 1.044 441 T CA 1.693 63.763 62.100 -0.050 0.000 1.139 441 T CB -0.196 68.638 68.868 -0.057 0.000 0.867 441 T HN 0.344 nan 8.240 nan 0.000 0.454 442 K N 0.971 121.348 120.400 -0.037 0.000 2.032 442 K HA -0.095 4.205 4.320 -0.033 0.000 0.209 442 K C 2.207 178.800 176.600 -0.011 0.000 1.048 442 K CA 1.266 57.543 56.287 -0.018 0.000 0.927 442 K CB -0.263 32.216 32.500 -0.035 0.000 0.712 442 K HN 0.218 nan 8.250 nan 0.000 0.441 443 I N 0.764 121.307 120.570 -0.045 0.000 2.163 443 I HA -0.279 3.871 4.170 -0.033 0.000 0.243 443 I C 2.380 178.507 176.117 0.015 0.000 1.085 443 I CA 1.419 62.700 61.300 -0.031 0.000 1.347 443 I CB -0.854 37.106 38.000 -0.067 0.000 1.044 443 I HN 0.218 nan 8.210 nan 0.000 0.408 444 F N 2.591 122.489 119.950 -0.087 0.000 2.095 444 F HA -0.252 4.255 4.527 -0.033 0.000 0.298 444 F C 2.401 178.177 175.800 -0.040 0.000 1.104 444 F CA 1.857 59.824 58.000 -0.055 0.000 1.232 444 F CB -0.341 38.626 39.000 -0.055 0.000 0.987 444 F HN 0.108 nan 8.300 nan 0.000 0.475 445 N N 0.556 119.326 118.700 0.118 0.000 2.270 445 N HA -0.147 4.574 4.740 -0.033 0.000 0.181 445 N C 1.440 176.918 175.510 -0.053 0.000 1.016 445 N CA 0.957 54.023 53.050 0.027 0.000 0.870 445 N CB -0.669 37.871 38.487 0.087 0.000 0.979 445 N HN 0.308 nan 8.380 nan 0.000 0.431 446 N N 1.266 119.939 118.700 -0.045 0.000 2.104 446 N HA -0.079 4.641 4.740 -0.033 0.000 0.190 446 N C 1.618 177.076 175.510 -0.087 0.000 1.024 446 N CA 1.322 54.341 53.050 -0.053 0.000 0.853 446 N CB -0.382 38.081 38.487 -0.040 0.000 1.008 446 N HN 0.240 nan 8.380 nan 0.000 0.424 447 A N 0.954 123.694 122.820 -0.133 0.000 1.872 447 A HA -0.039 4.262 4.320 -0.033 0.000 0.214 447 A C 2.060 179.528 177.584 -0.193 0.000 1.187 447 A CA 0.816 52.757 52.037 -0.161 0.000 0.614 447 A CB -0.445 18.438 19.000 -0.195 0.000 0.826 447 A HN 0.131 nan 8.150 nan 0.000 0.442 448 I N 0.310 120.705 120.570 -0.291 0.000 2.335 448 I HA -0.237 3.913 4.170 -0.033 0.000 0.251 448 I C 2.768 178.806 176.117 -0.133 0.000 1.129 448 I CA 1.426 62.570 61.300 -0.260 0.000 1.402 448 I CB -1.525 36.279 38.000 -0.327 0.000 1.069 448 I HN 0.363 nan 8.210 nan 0.000 0.424 449 A N 0.086 122.846 122.820 -0.100 0.000 2.121 449 A HA -0.101 4.199 4.320 -0.033 0.000 0.218 449 A C 2.036 179.588 177.584 -0.052 0.000 1.154 449 A CA 0.861 52.863 52.037 -0.059 0.000 0.679 449 A CB -0.513 18.462 19.000 -0.042 0.000 0.795 449 A HN 0.320 nan 8.150 nan 0.000 0.458 450 L N -0.459 120.726 121.223 -0.063 0.000 2.554 450 L HA 0.200 4.520 4.340 -0.033 0.000 0.226 450 L C 0.787 177.628 176.870 -0.049 0.000 1.137 450 L CA 0.634 55.445 54.840 -0.048 0.000 0.863 450 L CB -0.537 41.495 42.059 -0.045 0.000 0.985 450 L HN 0.313 nan 8.230 nan 0.000 0.451 451 L N -0.019 121.168 121.223 -0.061 0.000 2.439 451 L HA 0.281 4.601 4.340 -0.033 0.000 0.261 451 L C -1.847 174.996 176.870 -0.044 0.000 1.153 451 L CA -2.025 52.780 54.840 -0.059 0.000 0.808 451 L CB 0.245 42.262 42.059 -0.070 0.000 1.126 451 L HN -0.141 nan 8.230 nan 0.000 0.460 452 P HA 0.043 nan 4.420 nan 0.000 0.266 452 P C 0.587 177.874 177.300 -0.022 0.000 1.195 452 P CA 0.280 63.361 63.100 -0.031 0.000 0.768 452 P CB 0.526 32.207 31.700 -0.032 0.000 0.838 453 E N 1.744 121.934 120.200 -0.017 0.000 2.147 453 E HA -0.278 4.052 4.350 -0.033 0.000 0.199 453 E C 1.661 178.261 176.600 -0.001 0.000 1.005 453 E CA 2.513 58.907 56.400 -0.010 0.000 0.810 453 E CB -2.049 27.646 29.700 -0.009 0.000 0.736 453 E HN 0.702 nan 8.360 nan 0.000 0.460 454 T N -1.963 112.592 114.554 0.002 0.000 2.929 454 T HA -0.110 4.220 4.350 -0.033 0.000 0.271 454 T C 1.130 175.850 174.700 0.033 0.000 1.085 454 T CA 1.328 63.438 62.100 0.017 0.000 1.125 454 T CB -0.034 68.845 68.868 0.018 0.000 0.874 454 T HN 0.441 nan 8.240 nan 0.000 0.494 455 D N 0.852 121.263 120.400 0.019 0.000 2.389 455 D HA 0.121 4.742 4.640 -0.033 0.000 0.206 455 D C 2.065 178.374 176.300 0.015 0.000 1.055 455 D CA 0.021 54.035 54.000 0.022 0.000 0.856 455 D CB -0.022 40.767 40.800 -0.018 0.000 0.957 455 D HN 0.443 nan 8.370 nan 0.000 0.509 456 R N 0.846 121.349 120.500 0.004 0.000 2.328 456 R HA -0.001 4.319 4.340 -0.033 0.000 0.207 456 R C 0.924 177.238 176.300 0.024 0.000 1.056 456 R CA 0.662 56.761 56.100 -0.000 0.000 1.016 456 R CB 0.231 30.526 30.300 -0.007 0.000 0.872 456 R HN 0.106 nan 8.270 nan 0.000 0.471 457 E N 0.546 120.765 120.200 0.032 0.000 2.498 457 E HA 0.135 4.466 4.350 -0.033 0.000 0.203 457 E C 0.414 177.040 176.600 0.044 0.000 1.013 457 E CA -0.155 56.265 56.400 0.033 0.000 0.927 457 E CB 0.366 30.083 29.700 0.028 0.000 1.012 457 E HN 0.255 nan 8.360 nan 0.000 0.482 458 L N 2.204 123.469 121.223 0.071 0.000 2.573 458 L HA -0.099 4.221 4.340 -0.033 0.000 0.290 458 L C -1.143 175.777 176.870 0.084 0.000 1.247 458 L CA -0.623 54.282 54.840 0.109 0.000 0.876 458 L CB -0.044 42.107 42.059 0.152 0.000 1.123 458 L HN -0.112 nan 8.230 nan 0.000 0.505 459 P HA -0.223 nan 4.420 nan 0.000 0.214 459 P C 1.361 178.772 177.300 0.185 0.000 1.163 459 P CA 1.061 64.224 63.100 0.105 0.000 0.883 459 P CB 0.083 31.925 31.700 0.238 0.000 0.788 460 Q N -0.531 119.413 119.800 0.240 0.000 2.152 460 Q HA -0.188 4.132 4.340 -0.033 0.000 0.206 460 Q C 2.054 178.173 176.000 0.199 0.000 0.985 460 Q CA 1.519 57.468 55.803 0.244 0.000 0.863 460 Q CB -0.575 28.293 28.738 0.216 0.000 0.904 460 Q HN 0.198 nan 8.270 nan 0.000 0.422 461 I N 0.272 120.940 120.570 0.164 0.000 2.252 461 I HA -0.273 3.878 4.170 -0.033 0.000 0.245 461 I C 2.323 178.543 176.117 0.171 0.000 1.102 461 I CA 0.910 62.332 61.300 0.203 0.000 1.385 461 I CB -0.264 37.827 38.000 0.151 0.000 1.064 461 I HN 0.122 nan 8.210 nan 0.000 0.414 462 K N 0.355 120.765 120.400 0.016 0.000 2.057 462 K HA -0.165 4.135 4.320 -0.033 0.000 0.206 462 K C 1.920 178.430 176.600 -0.150 0.000 1.050 462 K CA 1.692 57.906 56.287 -0.122 0.000 0.935 462 K CB -0.561 31.760 32.500 -0.298 0.000 0.715 462 K HN 0.494 nan 8.250 nan 0.000 0.439 463 H N -0.218 118.888 119.070 0.059 0.000 2.547 463 H HA 0.122 4.658 4.556 -0.033 0.000 0.272 463 H C 1.825 177.168 175.328 0.026 0.000 0.989 463 H CA 0.427 56.497 56.048 0.037 0.000 1.214 463 H CB 0.232 30.021 29.762 0.045 0.000 1.389 463 H HN 0.095 nan 8.280 nan 0.000 0.577 464 I N -0.144 120.501 120.570 0.126 0.000 2.867 464 I HA -0.115 4.035 4.170 -0.033 0.000 0.265 464 I C 1.655 177.740 176.117 -0.054 0.000 1.162 464 I CA 0.274 61.621 61.300 0.079 0.000 1.471 464 I CB 0.249 38.331 38.000 0.137 0.000 1.123 464 I HN 0.192 nan 8.210 nan 0.000 0.440 465 L N 2.470 123.579 121.223 -0.189 0.000 2.042 465 L HA -0.042 4.278 4.340 -0.033 0.000 0.210 465 L C -0.767 175.944 176.870 -0.265 0.000 1.076 465 L CA 2.300 56.851 54.840 -0.482 0.000 0.749 465 L CB -1.868 39.790 42.059 -0.668 0.000 0.893 465 L HN 0.086 nan 8.230 nan 0.000 0.432 466 P HA -0.200 nan 4.420 nan 0.000 0.214 466 P C 2.192 179.460 177.300 -0.053 0.000 1.163 466 P CA 1.658 64.713 63.100 -0.076 0.000 0.889 466 P CB -0.051 31.635 31.700 -0.025 0.000 0.790 467 L N -1.517 119.690 121.223 -0.027 0.000 2.012 467 L HA -0.193 4.127 4.340 -0.033 0.000 0.210 467 L C 2.569 179.439 176.870 0.000 0.000 1.073 467 L CA 1.442 56.286 54.840 0.008 0.000 0.748 467 L CB -1.130 40.950 42.059 0.035 0.000 0.891 467 L HN -0.045 nan 8.230 nan 0.000 0.431 468 L N -0.566 120.632 121.223 -0.042 0.000 2.043 468 L HA -0.266 4.055 4.340 -0.033 0.000 0.212 468 L C 2.830 179.676 176.870 -0.040 0.000 1.075 468 L CA 1.502 56.317 54.840 -0.041 0.000 0.752 468 L CB -0.582 41.407 42.059 -0.117 0.000 0.891 468 L HN 0.248 nan 8.230 nan 0.000 0.432 469 R N -0.355 120.095 120.500 -0.083 0.000 2.096 469 R HA -0.108 4.212 4.340 -0.033 0.000 0.235 469 R C 2.313 178.607 176.300 -0.011 0.000 1.127 469 R CA 0.993 57.057 56.100 -0.060 0.000 0.968 469 R CB -0.218 30.030 30.300 -0.086 0.000 0.861 469 R HN 0.304 nan 8.270 nan 0.000 0.440 470 R N -0.346 120.153 120.500 -0.001 0.000 2.280 470 R HA -0.006 4.314 4.340 -0.033 0.000 0.207 470 R C 0.662 177.020 176.300 0.096 0.000 1.043 470 R CA 0.755 56.867 56.100 0.020 0.000 1.006 470 R CB 0.263 30.571 30.300 0.013 0.000 0.885 470 R HN 0.450 nan 8.270 nan 0.000 0.467 471 G N 1.175 110.024 108.800 0.083 0.000 2.165 471 G HA2 -0.227 3.713 3.960 -0.033 0.000 0.226 471 G HA3 -0.227 3.713 3.960 -0.033 0.000 0.226 471 G C -0.071 174.856 174.900 0.044 0.000 1.035 471 G CA -0.390 44.754 45.100 0.073 0.000 0.744 471 G HN 0.216 nan 8.290 nan 0.000 0.501 472 I N 0.873 121.493 120.570 0.084 0.000 2.418 472 I HA 0.613 4.763 4.170 -0.033 0.000 0.287 472 I C 0.779 176.959 176.117 0.105 0.000 1.008 472 I CA -0.599 60.765 61.300 0.106 0.000 1.104 472 I CB 1.933 40.043 38.000 0.183 0.000 1.264 472 I HN 0.176 nan 8.210 nan 0.000 0.438 473 G N 6.661 115.521 108.800 0.100 0.000 2.454 473 G HA2 0.841 4.781 3.960 -0.033 0.000 0.329 473 G HA3 0.841 4.781 3.960 -0.033 0.000 0.329 473 G C -0.877 174.086 174.900 0.105 0.000 1.177 473 G CA -0.512 44.639 45.100 0.086 0.000 0.951 473 G HN 0.463 nan 8.290 nan 0.000 0.485 474 I N 0.359 120.973 120.570 0.074 0.000 2.608 474 I HA 0.396 4.546 4.170 -0.033 0.000 0.295 474 I C -1.021 175.100 176.117 0.005 0.000 1.049 474 I CA -0.858 60.484 61.300 0.071 0.000 1.063 474 I CB 2.691 40.741 38.000 0.083 0.000 1.248 474 I HN 0.451 nan 8.210 nan 0.000 0.424 475 H N 5.758 124.738 119.070 -0.149 0.000 3.181 475 H HA 0.453 4.990 4.556 -0.032 0.000 0.331 475 H C -1.781 173.510 175.328 -0.061 0.000 0.988 475 H CA -0.420 55.504 56.048 -0.207 0.000 1.449 475 H CB 1.316 30.828 29.762 -0.417 0.000 1.749 475 H HN 0.909 nan 8.280 nan 0.000 0.501 476 H N 0.359 119.239 119.070 -0.316 0.000 2.950 476 H HA 0.157 4.694 4.556 -0.032 0.000 0.307 476 H C 0.454 175.644 175.328 -0.230 0.000 1.403 476 H CA -0.164 55.760 56.048 -0.206 0.000 1.145 476 H CB 0.324 30.009 29.762 -0.128 0.000 1.844 476 H HN 0.243 nan 8.280 nan 0.000 0.515 477 S N -0.685 115.054 115.700 0.064 0.000 2.500 477 S HA -0.064 4.386 4.470 -0.033 0.000 0.239 477 S C 1.857 176.483 174.600 0.044 0.000 0.989 477 S CA 0.772 58.986 58.200 0.024 0.000 0.951 477 S CB -0.870 62.357 63.200 0.046 0.000 0.759 477 S HN 0.859 nan 8.310 nan 0.000 0.523 478 G N 1.032 109.930 108.800 0.162 0.000 2.534 478 G HA2 0.211 4.151 3.960 -0.033 0.000 0.217 478 G HA3 0.211 4.151 3.960 -0.033 0.000 0.217 478 G C 0.521 175.508 174.900 0.145 0.000 1.128 478 G CA -0.090 45.025 45.100 0.025 0.000 0.784 478 G HN 0.487 nan 8.290 nan 0.000 0.542 479 L N 0.538 121.705 121.223 -0.094 0.000 2.453 479 L HA 0.298 4.618 4.340 -0.033 0.000 0.261 479 L C 0.476 177.367 176.870 0.035 0.000 1.179 479 L CA -0.837 53.969 54.840 -0.057 0.000 0.813 479 L CB 1.012 42.945 42.059 -0.211 0.000 1.110 479 L HN -0.024 nan 8.230 nan 0.000 0.466 480 L N 3.057 124.321 121.223 0.068 0.000 2.485 480 L HA -0.002 4.319 4.340 -0.033 0.000 0.275 480 L C -1.315 175.570 176.870 0.026 0.000 1.207 480 L CA -1.027 53.845 54.840 0.053 0.000 0.855 480 L CB 0.211 42.295 42.059 0.041 0.000 1.114 480 L HN 0.437 nan 8.230 nan 0.000 0.485 481 P HA -0.239 nan 4.420 nan 0.000 0.216 481 P C 1.627 178.958 177.300 0.051 0.000 1.154 481 P CA 1.457 64.580 63.100 0.039 0.000 0.865 481 P CB 0.202 31.921 31.700 0.032 0.000 0.789 482 I N -1.493 119.089 120.570 0.020 0.000 2.394 482 I HA -0.179 3.972 4.170 -0.033 0.000 0.251 482 I C 1.964 178.089 176.117 0.013 0.000 1.136 482 I CA 1.109 62.415 61.300 0.009 0.000 1.425 482 I CB -0.179 37.794 38.000 -0.045 0.000 1.079 482 I HN -0.126 nan 8.210 nan 0.000 0.425 483 L N 0.431 121.666 121.223 0.020 0.000 2.093 483 L HA -0.214 4.107 4.340 -0.033 0.000 0.208 483 L C 2.494 179.420 176.870 0.092 0.000 1.085 483 L CA 1.291 56.165 54.840 0.056 0.000 0.755 483 L CB -0.525 41.576 42.059 0.070 0.000 0.904 483 L HN 0.168 nan 8.230 nan 0.000 0.435 484 K N 0.256 120.703 120.400 0.078 0.000 2.026 484 K HA -0.197 4.103 4.320 -0.033 0.000 0.208 484 K C 1.953 178.711 176.600 0.264 0.000 1.048 484 K CA 1.832 58.198 56.287 0.132 0.000 0.929 484 K CB -0.127 32.411 32.500 0.064 0.000 0.713 484 K HN 0.494 nan 8.250 nan 0.000 0.439 485 E N 0.741 121.081 120.200 0.234 0.000 2.216 485 E HA -0.104 4.227 4.350 -0.033 0.000 0.192 485 E C 2.062 178.760 176.600 0.163 0.000 0.988 485 E CA 0.782 57.360 56.400 0.297 0.000 0.834 485 E CB -0.259 29.696 29.700 0.426 0.000 0.772 485 E HN 0.057 nan 8.360 nan 0.000 0.479 486 V N 1.451 121.430 119.914 0.109 0.000 2.548 486 V HA -0.141 3.960 4.120 -0.033 0.000 0.249 486 V C 2.011 178.199 176.094 0.156 0.000 1.055 486 V CA 1.095 63.441 62.300 0.076 0.000 1.065 486 V CB -0.218 31.614 31.823 0.015 0.000 0.681 486 V HN 0.266 nan 8.190 nan 0.000 0.462 487 I N -0.271 120.419 120.570 0.200 0.000 2.406 487 I HA -0.154 3.996 4.170 -0.033 0.000 0.249 487 I C 2.447 178.720 176.117 0.259 0.000 1.122 487 I CA 1.417 62.852 61.300 0.226 0.000 1.431 487 I CB -0.311 37.818 38.000 0.216 0.000 1.087 487 I HN 0.379 nan 8.210 nan 0.000 0.424 488 E N 1.096 121.466 120.200 0.284 0.000 2.077 488 E HA -0.206 4.124 4.350 -0.033 0.000 0.193 488 E C 2.263 179.030 176.600 0.278 0.000 0.989 488 E CA 1.284 57.865 56.400 0.302 0.000 0.800 488 E CB -0.038 29.850 29.700 0.313 0.000 0.746 488 E HN 0.486 nan 8.360 nan 0.000 0.452 489 I N 0.875 121.563 120.570 0.197 0.000 2.252 489 I HA -0.248 3.902 4.170 -0.033 0.000 0.245 489 I C 2.262 178.499 176.117 0.200 0.000 1.102 489 I CA 0.877 62.261 61.300 0.139 0.000 1.385 489 I CB -0.133 37.883 38.000 0.026 0.000 1.064 489 I HN 0.118 nan 8.210 nan 0.000 0.414 490 L N -0.512 120.849 121.223 0.230 0.000 2.141 490 L HA -0.217 4.103 4.340 -0.033 0.000 0.209 490 L C 2.480 179.532 176.870 0.303 0.000 1.094 490 L CA 1.213 56.226 54.840 0.289 0.000 0.763 490 L CB -0.481 41.719 42.059 0.235 0.000 0.908 490 L HN 0.205 nan 8.230 nan 0.000 0.437 491 F N 0.693 120.726 119.950 0.139 0.000 2.163 491 F HA -0.198 4.310 4.527 -0.032 0.000 0.297 491 F C 2.611 178.453 175.800 0.070 0.000 1.094 491 F CA 1.407 59.465 58.000 0.095 0.000 1.290 491 F CB -0.069 39.005 39.000 0.125 0.000 1.017 491 F HN 0.018 nan 8.300 nan 0.000 0.483 492 Q N -0.072 119.866 119.800 0.229 0.000 2.096 492 Q HA -0.203 4.117 4.340 -0.033 0.000 0.204 492 Q C 1.805 177.798 176.000 -0.011 0.000 0.982 492 Q CA 1.723 57.589 55.803 0.105 0.000 0.850 492 Q CB -0.218 28.599 28.738 0.131 0.000 0.901 492 Q HN 0.382 nan 8.270 nan 0.000 0.422 493 E N -0.908 119.311 120.200 0.032 0.000 2.482 493 E HA -0.002 4.329 4.350 -0.033 0.000 0.196 493 E C 1.000 177.393 176.600 -0.345 0.000 1.047 493 E CA 0.800 57.164 56.400 -0.061 0.000 0.869 493 E CB 0.320 30.144 29.700 0.206 0.000 0.836 493 E HN 0.516 nan 8.360 nan 0.000 0.520 494 G N 1.027 109.653 108.800 -0.291 0.000 2.137 494 G HA2 -0.294 3.647 3.960 -0.033 0.000 0.237 494 G HA3 -0.294 3.647 3.960 -0.033 0.000 0.237 494 G C 0.527 175.200 174.900 -0.377 0.000 1.002 494 G CA 0.282 45.151 45.100 -0.385 0.000 0.702 494 G HN 0.271 nan 8.290 nan 0.000 0.515 495 F N -0.070 119.825 119.950 -0.092 0.000 2.512 495 F HA 0.365 4.872 4.527 -0.033 0.000 0.296 495 F C 1.728 177.481 175.800 -0.078 0.000 1.110 495 F CA 0.537 58.504 58.000 -0.056 0.000 1.446 495 F CB 0.194 39.186 39.000 -0.012 0.000 1.092 495 F HN 0.143 nan 8.300 nan 0.000 0.554 496 L N 1.144 122.397 121.223 0.050 0.000 2.272 496 L HA 0.285 4.606 4.340 -0.033 0.000 0.289 496 L C 0.999 177.751 176.870 -0.197 0.000 1.032 496 L CA -0.596 54.235 54.840 -0.014 0.000 0.810 496 L CB 1.312 43.453 42.059 0.136 0.000 1.205 496 L HN -0.121 nan 8.230 nan 0.000 0.422 497 K N 2.130 122.335 120.400 -0.325 0.000 2.284 497 K HA 0.219 4.519 4.320 -0.033 0.000 0.198 497 K C 0.111 176.408 176.600 -0.506 0.000 1.048 497 K CA 0.556 56.540 56.287 -0.505 0.000 0.987 497 K CB 0.598 32.554 32.500 -0.908 0.000 0.800 497 K HN 0.317 nan 8.250 nan 0.000 0.486 498 V N 2.086 121.711 119.914 -0.483 0.000 2.577 498 V HA 0.348 4.448 4.120 -0.033 0.000 0.303 498 V C -1.176 174.745 176.094 -0.289 0.000 1.042 498 V CA -1.076 60.959 62.300 -0.443 0.000 0.872 498 V CB 2.048 33.542 31.823 -0.549 0.000 0.998 498 V HN -0.010 nan 8.190 nan 0.000 0.423 499 L N 5.148 126.153 121.223 -0.363 0.000 2.349 499 L HA 0.670 4.990 4.340 -0.033 0.000 0.278 499 L C -1.183 175.346 176.870 -0.568 0.000 0.996 499 L CA 0.007 54.630 54.840 -0.361 0.000 0.825 499 L CB 1.354 43.148 42.059 -0.441 0.000 1.243 499 L HN 0.492 nan 8.230 nan 0.000 0.412 500 F N 5.078 124.894 119.950 -0.224 0.000 2.335 500 F HA 0.683 5.190 4.527 -0.033 0.000 0.365 500 F C 0.702 176.382 175.800 -0.201 0.000 1.122 500 F CA -0.117 57.770 58.000 -0.188 0.000 1.151 500 F CB 0.920 39.875 39.000 -0.075 0.000 1.282 500 F HN 0.609 nan 8.300 nan 0.000 0.513 501 A N 2.350 125.040 122.820 -0.217 0.000 2.354 501 A HA 0.724 5.024 4.320 -0.033 0.000 0.321 501 A C -0.041 177.592 177.584 0.082 0.000 1.125 501 A CA -0.622 51.306 52.037 -0.182 0.000 0.799 501 A CB 1.222 19.890 19.000 -0.553 0.000 1.293 501 A HN 0.478 nan 8.150 nan 0.000 0.452 502 T N -0.421 114.269 114.554 0.227 0.000 2.816 502 T HA 0.462 4.793 4.350 -0.033 0.000 0.282 502 T C 1.739 176.722 174.700 0.472 0.000 0.993 502 T CA 0.642 62.925 62.100 0.304 0.000 0.994 502 T CB 0.848 69.852 68.868 0.227 0.000 1.025 502 T HN 0.976 nan 8.240 nan 0.000 0.529 503 E N 0.479 120.914 120.200 0.392 0.000 2.401 503 E HA -0.109 4.221 4.350 -0.033 0.000 0.199 503 E C 1.980 178.756 176.600 0.293 0.000 1.023 503 E CA 1.883 58.478 56.400 0.324 0.000 0.859 503 E CB -1.321 28.482 29.700 0.170 0.000 0.780 503 E HN 0.773 nan 8.360 nan 0.000 0.523 504 T N -0.503 114.249 114.554 0.330 0.000 2.915 504 T HA -0.003 4.327 4.350 -0.033 0.000 0.269 504 T C 1.631 176.554 174.700 0.372 0.000 1.071 504 T CA 0.792 63.080 62.100 0.312 0.000 1.132 504 T CB -0.417 68.633 68.868 0.304 0.000 0.878 504 T HN 0.560 nan 8.240 nan 0.000 0.479 505 F N 2.441 122.570 119.950 0.297 0.000 2.202 505 F HA -0.213 4.294 4.527 -0.033 0.000 0.301 505 F C 2.552 178.445 175.800 0.155 0.000 1.082 505 F CA 1.198 59.301 58.000 0.171 0.000 1.313 505 F CB -0.119 38.925 39.000 0.073 0.000 1.024 505 F HN 0.191 nan 8.300 nan 0.000 0.495 506 S N 0.277 116.157 115.700 0.299 0.000 2.399 506 S HA -0.204 4.246 4.470 -0.033 0.000 0.231 506 S C 1.863 176.494 174.600 0.052 0.000 1.022 506 S CA 1.055 59.333 58.200 0.130 0.000 0.983 506 S CB -0.664 62.562 63.200 0.043 0.000 0.803 506 S HN 0.264 nan 8.310 nan 0.000 0.480 507 I N 2.709 123.334 120.570 0.092 0.000 2.286 507 I HA 0.022 4.172 4.170 -0.033 0.000 0.248 507 I C 1.799 177.934 176.117 0.030 0.000 1.115 507 I CA 0.231 61.595 61.300 0.107 0.000 1.392 507 I CB -2.099 36.008 38.000 0.179 0.000 1.065 507 I HN 0.362 nan 8.210 nan 0.000 0.418 508 G N 1.605 110.363 108.800 -0.070 0.000 2.340 508 G HA2 0.346 4.286 3.960 -0.033 0.000 0.245 508 G HA3 0.346 4.286 3.960 -0.033 0.000 0.245 508 G C -0.004 174.809 174.900 -0.146 0.000 1.294 508 G CA 0.053 45.068 45.100 -0.142 0.000 0.896 508 G HN 0.354 nan 8.290 nan 0.000 0.522 509 L N 1.459 122.646 121.223 -0.061 0.000 2.426 509 L HA 0.620 4.941 4.340 -0.033 0.000 0.271 509 L C 1.590 178.443 176.870 -0.029 0.000 1.169 509 L CA 0.553 55.379 54.840 -0.023 0.000 0.836 509 L CB -1.206 40.868 42.059 0.024 0.000 1.112 509 L HN 2.244 nan 8.230 nan 0.000 0.465 510 N N -0.703 117.993 118.700 -0.007 0.000 2.754 510 N HA 0.213 4.934 4.740 -0.033 0.000 0.248 510 N C 0.268 175.789 175.510 0.019 0.000 1.093 510 N CA 1.994 55.055 53.050 0.019 0.000 0.699 510 N CB -2.220 36.297 38.487 0.049 0.000 1.016 510 N HN 2.746 nan 8.380 nan 0.000 0.552 511 M N -1.544 118.022 119.600 -0.057 0.000 2.911 511 M HA 0.565 5.026 4.480 -0.033 0.000 0.381 511 M C -2.420 173.909 176.300 0.048 0.000 1.287 511 M CA -0.382 54.873 55.300 -0.075 0.000 0.858 511 M CB -0.224 32.000 32.600 -0.626 0.000 1.385 511 M HN 0.452 nan 8.290 nan 0.000 0.504 512 P HA 0.742 nan 4.420 nan 0.000 0.274 512 P C -0.271 177.172 177.300 0.239 0.000 1.237 512 P CA 0.073 63.248 63.100 0.125 0.000 0.793 512 P CB 1.531 33.260 31.700 0.048 0.000 0.977 513 A N 1.112 124.037 122.820 0.175 0.000 2.469 513 A HA 0.413 4.714 4.320 -0.033 0.000 0.299 513 A C 1.107 178.711 177.584 0.033 0.000 1.098 513 A CA -0.630 51.507 52.037 0.167 0.000 0.737 513 A CB 1.383 20.527 19.000 0.239 0.000 1.312 513 A HN 0.476 nan 8.150 nan 0.000 0.414 514 K N -0.200 120.190 120.400 -0.018 0.000 2.057 514 K HA 0.007 4.308 4.320 -0.033 0.000 0.206 514 K C -0.065 176.487 176.600 -0.080 0.000 1.050 514 K CA 1.786 58.028 56.287 -0.075 0.000 0.935 514 K CB 0.019 32.462 32.500 -0.095 0.000 0.715 514 K HN 0.695 nan 8.250 nan 0.000 0.439 515 T N 0.399 114.928 114.554 -0.041 0.000 2.841 515 T HA 0.442 4.772 4.350 -0.033 0.000 0.283 515 T C -1.410 173.262 174.700 -0.047 0.000 1.000 515 T CA -0.754 61.324 62.100 -0.037 0.000 0.977 515 T CB 2.334 71.198 68.868 -0.006 0.000 0.979 515 T HN -0.193 nan 8.240 nan 0.000 0.446 516 V N 3.258 123.136 119.914 -0.060 0.000 2.588 516 V HA 0.607 4.708 4.120 -0.033 0.000 0.304 516 V C -0.712 175.255 176.094 -0.212 0.000 1.042 516 V CA -0.625 61.604 62.300 -0.118 0.000 0.877 516 V CB 2.065 33.835 31.823 -0.089 0.000 0.996 516 V HN 0.734 nan 8.190 nan 0.000 0.425 517 V N 5.444 125.199 119.914 -0.264 0.000 2.487 517 V HA 0.544 4.644 4.120 -0.033 0.000 0.298 517 V C -0.908 175.068 176.094 -0.197 0.000 1.028 517 V CA -0.603 61.585 62.300 -0.186 0.000 0.860 517 V CB 1.668 33.430 31.823 -0.101 0.000 0.991 517 V HN 0.662 nan 8.190 nan 0.000 0.427 518 F N 2.251 122.353 119.950 0.254 0.000 2.415 518 F HA 0.386 4.893 4.527 -0.033 0.000 0.348 518 F C 1.630 177.570 175.800 0.233 0.000 1.119 518 F CA -0.628 57.532 58.000 0.267 0.000 1.069 518 F CB 1.834 40.984 39.000 0.250 0.000 1.124 518 F HN 0.616 nan 8.300 nan 0.000 0.472 519 T N -2.271 112.517 114.554 0.390 0.000 3.118 519 T HA 0.122 4.453 4.350 -0.033 0.000 0.260 519 T C 0.543 175.421 174.700 0.296 0.000 1.139 519 T CA 0.492 62.773 62.100 0.301 0.000 1.085 519 T CB -0.010 69.017 68.868 0.265 0.000 0.934 519 T HN 0.434 nan 8.240 nan 0.000 0.518 520 S N -1.267 114.621 115.700 0.314 0.000 2.565 520 S HA 0.490 4.941 4.470 -0.033 0.000 0.269 520 S C 0.216 174.943 174.600 0.212 0.000 1.153 520 S CA -0.664 57.690 58.200 0.256 0.000 0.835 520 S CB 1.732 65.080 63.200 0.248 0.000 1.122 520 S HN -0.046 nan 8.310 nan 0.000 0.462 521 V N 2.746 122.762 119.914 0.170 0.000 3.608 521 V HA 0.306 4.407 4.120 -0.033 0.000 0.269 521 V C 1.022 177.171 176.094 0.093 0.000 1.245 521 V CA 0.755 63.132 62.300 0.128 0.000 1.138 521 V CB -0.577 31.331 31.823 0.142 0.000 0.841 521 V HN 0.567 nan 8.190 nan 0.000 0.451 522 R N 0.340 120.840 120.500 -0.000 0.000 2.828 522 R HA 0.675 4.995 4.340 -0.033 0.000 0.264 522 R C -0.401 175.765 176.300 -0.224 0.000 1.022 522 R CA -0.683 55.269 56.100 -0.248 0.000 1.021 522 R CB 2.005 31.853 30.300 -0.752 0.000 1.163 522 R HN 0.054 nan 8.270 nan 0.000 0.494 523 K N 0.865 121.100 120.400 -0.276 0.000 2.502 523 K HA 0.202 4.502 4.320 -0.033 0.000 0.257 523 K C -1.655 175.007 176.600 0.103 0.000 0.938 523 K CA -0.624 55.660 56.287 -0.005 0.000 0.819 523 K CB 2.002 34.528 32.500 0.042 0.000 1.333 523 K HN 0.490 nan 8.250 nan 0.000 0.434 524 W N 6.205 127.598 121.300 0.154 0.000 2.283 524 W HA 0.162 4.800 4.660 -0.038 0.000 0.317 524 W C -0.113 176.467 176.519 0.102 0.000 1.042 524 W CA -0.619 56.849 57.345 0.205 0.000 1.348 524 W CB 0.751 30.367 29.460 0.261 0.000 1.216 524 W HN 0.750 nan 8.180 nan 0.000 0.404 525 D N 2.468 123.068 120.400 0.334 0.000 2.328 525 D HA 0.164 4.785 4.640 -0.033 0.000 0.221 525 D C 1.561 178.043 176.300 0.304 0.000 1.072 525 D CA 0.514 54.661 54.000 0.245 0.000 0.850 525 D CB 0.127 40.985 40.800 0.097 0.000 0.922 525 D HN 0.640 nan 8.370 nan 0.000 0.516 526 G N 0.173 109.349 108.800 0.625 0.000 2.279 526 G HA2 -0.294 3.647 3.960 -0.033 0.000 0.223 526 G HA3 -0.294 3.647 3.960 -0.033 0.000 0.223 526 G C 1.154 176.289 174.900 0.392 0.000 1.015 526 G CA 0.213 45.633 45.100 0.534 0.000 0.621 526 G HN 0.310 nan 8.290 nan 0.000 0.506 527 Q N -0.803 119.072 119.800 0.126 0.000 2.477 527 Q HA 0.306 4.627 4.340 -0.033 0.000 0.252 527 Q C 0.912 176.808 176.000 -0.174 0.000 0.869 527 Q CA 0.775 56.581 55.803 0.004 0.000 0.969 527 Q CB 0.618 29.358 28.738 0.005 0.000 1.144 527 Q HN 0.534 nan 8.270 nan 0.000 0.577 528 Q N -0.646 118.995 119.800 -0.264 0.000 2.456 528 Q HA 0.374 4.695 4.340 -0.033 0.000 0.283 528 Q C -1.538 174.225 176.000 -0.396 0.000 1.084 528 Q CA -0.582 55.026 55.803 -0.326 0.000 0.801 528 Q CB 2.274 30.895 28.738 -0.196 0.000 1.434 528 Q HN 0.129 nan 8.270 nan 0.000 0.419 529 F N 3.522 123.149 119.950 -0.538 0.000 2.329 529 F HA 0.343 4.850 4.527 -0.033 0.000 0.362 529 F C 0.045 175.668 175.800 -0.294 0.000 1.113 529 F CA -0.501 57.259 58.000 -0.400 0.000 1.212 529 F CB 0.262 39.034 39.000 -0.379 0.000 1.509 529 F HN 0.349 nan 8.300 nan 0.000 0.546 530 R N 2.404 122.641 120.500 -0.438 0.000 2.923 530 R HA 0.510 4.830 4.340 -0.033 0.000 0.252 530 R C -1.244 174.846 176.300 -0.350 0.000 1.130 530 R CA -0.903 54.941 56.100 -0.427 0.000 1.043 530 R CB 0.713 30.865 30.300 -0.246 0.000 1.205 530 R HN 0.243 nan 8.270 nan 0.000 0.495 531 W N 0.816 122.010 121.300 -0.178 0.000 2.190 531 W HA 0.227 4.869 4.660 -0.030 0.000 0.330 531 W C 0.048 176.487 176.519 -0.134 0.000 1.299 531 W CA -1.026 56.227 57.345 -0.154 0.000 1.215 531 W CB 0.333 29.724 29.460 -0.115 0.000 1.147 531 W HN 0.209 nan 8.180 nan 0.000 0.563 532 V N 3.497 123.476 119.914 0.110 0.000 2.694 532 V HA -0.058 4.043 4.120 -0.033 0.000 0.306 532 V C 0.862 176.966 176.094 0.017 0.000 1.054 532 V CA 0.064 62.376 62.300 0.020 0.000 1.161 532 V CB 0.097 31.899 31.823 -0.035 0.000 0.916 532 V HN 0.547 nan 8.190 nan 0.000 0.490 533 S N 3.716 119.419 115.700 0.005 0.000 2.632 533 S HA 0.460 4.910 4.470 -0.033 0.000 0.271 533 S C 1.388 175.980 174.600 -0.013 0.000 1.260 533 S CA -0.158 58.039 58.200 -0.006 0.000 1.010 533 S CB 1.469 64.666 63.200 -0.006 0.000 0.965 533 S HN 0.975 nan 8.310 nan 0.000 0.534 534 G N 1.347 110.127 108.800 -0.034 0.000 2.553 534 G HA2 -0.120 3.821 3.960 -0.033 0.000 0.218 534 G HA3 -0.120 3.821 3.960 -0.033 0.000 0.218 534 G C 1.406 176.320 174.900 0.023 0.000 1.195 534 G CA 0.831 45.920 45.100 -0.018 0.000 0.779 534 G HN 1.077 nan 8.290 nan 0.000 0.577 535 G N 0.578 109.374 108.800 -0.006 0.000 2.529 535 G HA2 -0.250 3.690 3.960 -0.033 0.000 0.219 535 G HA3 -0.250 3.690 3.960 -0.033 0.000 0.219 535 G C 1.612 176.498 174.900 -0.022 0.000 1.177 535 G CA 1.349 46.438 45.100 -0.017 0.000 0.773 535 G HN 0.544 nan 8.290 nan 0.000 0.573 536 E N -0.721 119.466 120.200 -0.022 0.000 2.049 536 E HA -0.245 4.085 4.350 -0.033 0.000 0.198 536 E C 2.177 178.748 176.600 -0.048 0.000 1.007 536 E CA 1.470 57.846 56.400 -0.040 0.000 0.809 536 E CB -0.338 29.340 29.700 -0.036 0.000 0.749 536 E HN 0.561 nan 8.360 nan 0.000 0.450 537 Y N 1.392 121.604 120.300 -0.147 0.000 2.224 537 Y HA -0.226 4.304 4.550 -0.033 0.000 0.289 537 Y C 2.008 177.850 175.900 -0.096 0.000 1.146 537 Y CA 1.162 59.158 58.100 -0.174 0.000 1.182 537 Y CB -0.020 38.336 38.460 -0.173 0.000 0.983 537 Y HN 0.013 nan 8.280 nan 0.000 0.524 538 I N 0.053 120.608 120.570 -0.025 0.000 2.099 538 I HA -0.349 3.802 4.170 -0.033 0.000 0.239 538 I C 2.135 178.179 176.117 -0.121 0.000 1.066 538 I CA 1.590 62.852 61.300 -0.062 0.000 1.324 538 I CB -1.263 36.748 38.000 0.019 0.000 1.037 538 I HN 0.313 nan 8.210 nan 0.000 0.401 539 Q N -0.062 119.682 119.800 -0.093 0.000 2.297 539 Q HA -0.127 4.193 4.340 -0.033 0.000 0.208 539 Q C 2.122 178.054 176.000 -0.112 0.000 0.981 539 Q CA 1.299 57.050 55.803 -0.087 0.000 0.876 539 Q CB -0.355 28.335 28.738 -0.080 0.000 0.921 539 Q HN 0.597 nan 8.270 nan 0.000 0.446 540 M N -0.572 118.920 119.600 -0.180 0.000 2.288 540 M HA -0.057 4.403 4.480 -0.033 0.000 0.266 540 M C 1.962 178.223 176.300 -0.066 0.000 1.072 540 M CA 0.908 56.120 55.300 -0.147 0.000 1.132 540 M CB 0.144 32.523 32.600 -0.369 0.000 1.386 540 M HN -0.039 nan 8.290 nan 0.000 0.432 541 S N 0.334 115.879 115.700 -0.258 0.000 2.453 541 S HA 0.000 4.451 4.470 -0.033 0.000 0.231 541 S C 1.951 176.482 174.600 -0.114 0.000 1.005 541 S CA 1.016 59.116 58.200 -0.168 0.000 0.949 541 S CB -0.521 62.584 63.200 -0.157 0.000 0.774 541 S HN 0.671 nan 8.310 nan 0.000 0.510 542 G N 2.796 111.522 108.800 -0.124 0.000 2.471 542 G HA2 -0.187 3.753 3.960 -0.033 0.000 0.219 542 G HA3 -0.187 3.753 3.960 -0.033 0.000 0.219 542 G C 1.457 176.320 174.900 -0.061 0.000 1.125 542 G CA 0.152 45.182 45.100 -0.116 0.000 0.775 542 G HN 0.438 nan 8.290 nan 0.000 0.548 543 R N 0.758 121.248 120.500 -0.015 0.000 2.280 543 R HA 0.217 4.538 4.340 -0.033 0.000 0.207 543 R C 0.918 177.237 176.300 0.032 0.000 1.043 543 R CA 0.628 56.753 56.100 0.041 0.000 1.006 543 R CB -0.764 29.623 30.300 0.144 0.000 0.885 543 R HN 0.253 nan 8.270 nan 0.000 0.467 544 A N 1.127 123.937 122.820 -0.017 0.000 2.276 544 A HA 0.606 4.906 4.320 -0.033 0.000 0.316 544 A C 0.211 177.749 177.584 -0.078 0.000 1.229 544 A CA 0.022 52.036 52.037 -0.039 0.000 0.851 544 A CB 0.841 19.806 19.000 -0.058 0.000 1.165 544 A HN 0.428 nan 8.150 nan 0.000 0.513 545 G N 2.372 111.128 108.800 -0.074 0.000 3.017 545 G HA2 -0.058 3.882 3.960 -0.033 0.000 0.680 545 G HA3 -0.058 3.882 3.960 -0.033 0.000 0.680 545 G C -0.572 174.282 174.900 -0.077 0.000 1.179 545 G CA -0.954 44.087 45.100 -0.098 0.000 1.142 545 G HN 0.933 nan 8.290 nan 0.000 0.489 546 R N 2.629 123.089 120.500 -0.066 0.000 2.248 546 R HA 0.305 4.626 4.340 -0.033 0.000 0.328 546 R C 1.753 178.016 176.300 -0.062 0.000 1.067 546 R CA -0.756 55.313 56.100 -0.050 0.000 0.924 546 R CB 0.961 31.235 30.300 -0.044 0.000 1.013 546 R HN 0.500 nan 8.270 nan 0.000 0.454 547 R N 2.668 123.131 120.500 -0.061 0.000 2.133 547 R HA -0.197 4.123 4.340 -0.033 0.000 0.245 547 R C 1.635 177.900 176.300 -0.059 0.000 1.137 547 R CA 2.504 58.561 56.100 -0.071 0.000 0.947 547 R CB -0.470 29.788 30.300 -0.070 0.000 0.865 547 R HN 0.847 nan 8.270 nan 0.000 0.437 548 G N -1.095 107.679 108.800 -0.044 0.000 2.662 548 G HA2 -0.005 3.936 3.960 -0.033 0.000 0.212 548 G HA3 -0.005 3.936 3.960 -0.033 0.000 0.212 548 G C 1.226 176.107 174.900 -0.032 0.000 1.141 548 G CA -0.122 44.959 45.100 -0.031 0.000 0.797 548 G HN 0.158 nan 8.290 nan 0.000 0.531 549 L N 0.452 121.650 121.223 -0.042 0.000 2.221 549 L HA 0.315 4.635 4.340 -0.033 0.000 0.202 549 L C 0.175 177.012 176.870 -0.054 0.000 1.074 549 L CA 0.663 55.476 54.840 -0.045 0.000 0.795 549 L CB -0.041 41.987 42.059 -0.051 0.000 0.960 549 L HN -0.033 nan 8.230 nan 0.000 0.458 550 D N -0.412 119.946 120.400 -0.070 0.000 2.163 550 D HA 0.294 4.914 4.640 -0.033 0.000 0.248 550 D C 0.816 177.062 176.300 -0.090 0.000 1.035 550 D CA 0.646 54.590 54.000 -0.093 0.000 0.872 550 D CB 1.271 41.995 40.800 -0.126 0.000 1.183 550 D HN 0.105 nan 8.370 nan 0.000 0.445 551 D N 2.285 122.631 120.400 -0.089 0.000 2.077 551 D HA -0.141 4.480 4.640 -0.033 0.000 0.193 551 D C 0.881 177.123 176.300 -0.095 0.000 0.989 551 D CA 1.210 55.166 54.000 -0.074 0.000 0.831 551 D CB 0.136 40.902 40.800 -0.056 0.000 0.979 551 D HN 0.056 nan 8.370 nan 0.000 0.449 552 R N -1.938 118.481 120.500 -0.136 0.000 2.919 552 R HA 0.704 5.024 4.340 -0.033 0.000 0.260 552 R C 0.087 176.274 176.300 -0.189 0.000 1.067 552 R CA -0.460 55.552 56.100 -0.145 0.000 1.003 552 R CB 1.727 31.954 30.300 -0.122 0.000 1.192 552 R HN 0.341 nan 8.270 nan 0.000 0.488 553 G N 0.544 109.241 108.800 -0.171 0.000 2.470 553 G HA2 0.590 4.531 3.960 -0.033 0.000 0.320 553 G HA3 0.590 4.531 3.960 -0.033 0.000 0.320 553 G C -1.079 173.734 174.900 -0.145 0.000 1.245 553 G CA -0.301 44.699 45.100 -0.168 0.000 0.935 553 G HN 0.259 nan 8.290 nan 0.000 0.476 554 I N 1.642 122.145 120.570 -0.112 0.000 2.336 554 I HA 0.347 4.497 4.170 -0.033 0.000 0.292 554 I C -0.103 176.032 176.117 0.031 0.000 0.991 554 I CA -0.614 60.691 61.300 0.007 0.000 1.227 554 I CB 2.066 40.093 38.000 0.045 0.000 1.366 554 I HN 0.157 nan 8.210 nan 0.000 0.466 555 V N 7.502 127.472 119.914 0.093 0.000 2.409 555 V HA 0.519 4.619 4.120 -0.033 0.000 0.291 555 V C -0.079 176.211 176.094 0.326 0.000 1.020 555 V CA -0.561 61.835 62.300 0.160 0.000 0.848 555 V CB 1.455 33.393 31.823 0.192 0.000 0.990 555 V HN 0.437 nan 8.190 nan 0.000 0.430 556 I N 5.239 125.969 120.570 0.266 0.000 2.436 556 I HA 0.550 4.700 4.170 -0.033 0.000 0.289 556 I C -0.417 175.936 176.117 0.393 0.000 1.010 556 I CA -0.474 61.018 61.300 0.320 0.000 1.098 556 I CB 1.975 40.073 38.000 0.164 0.000 1.266 556 I HN 0.582 nan 8.210 nan 0.000 0.434 557 M N 7.246 127.125 119.600 0.466 0.000 2.085 557 M HA 0.487 4.948 4.480 -0.033 0.000 0.309 557 M C -1.037 175.507 176.300 0.407 0.000 0.947 557 M CA -0.434 55.161 55.300 0.491 0.000 0.918 557 M CB 1.277 34.166 32.600 0.481 0.000 1.504 557 M HN 0.514 nan 8.290 nan 0.000 0.420 558 M N 5.626 125.461 119.600 0.393 0.000 2.217 558 M HA 0.291 4.751 4.480 -0.033 0.000 0.352 558 M C -0.661 175.816 176.300 0.294 0.000 1.376 558 M CA 0.364 55.907 55.300 0.404 0.000 1.107 558 M CB 0.378 33.206 32.600 0.380 0.000 1.723 558 M HN 0.677 nan 8.290 nan 0.000 0.461 559 I N 2.608 123.315 120.570 0.227 0.000 2.646 559 I HA 0.338 4.488 4.170 -0.033 0.000 0.299 559 I C -0.940 175.236 176.117 0.097 0.000 1.036 559 I CA -0.180 61.213 61.300 0.155 0.000 1.074 559 I CB 2.041 40.117 38.000 0.128 0.000 1.258 559 I HN 0.638 nan 8.210 nan 0.000 0.430 560 D N 5.845 126.315 120.400 0.116 0.000 2.992 560 D HA 0.242 4.863 4.640 -0.033 0.000 0.372 560 D C -1.492 174.881 176.300 0.121 0.000 1.374 560 D CA -0.027 54.038 54.000 0.109 0.000 0.769 560 D CB 0.434 41.319 40.800 0.142 0.000 1.215 560 D HN 0.651 nan 8.370 nan 0.000 0.473 561 E N -0.759 119.500 120.200 0.098 0.000 2.422 561 E HA 0.205 4.536 4.350 -0.033 0.000 0.289 561 E C -0.922 175.717 176.600 0.066 0.000 0.985 561 E CA -0.952 55.512 56.400 0.108 0.000 0.812 561 E CB 0.737 30.547 29.700 0.183 0.000 1.226 561 E HN -0.155 nan 8.360 nan 0.000 0.419 562 K N 2.694 123.121 120.400 0.044 0.000 2.199 562 K HA 0.113 4.414 4.320 -0.033 0.000 0.226 562 K C 0.205 176.846 176.600 0.069 0.000 1.237 562 K CA 0.007 56.297 56.287 0.004 0.000 1.170 562 K CB -0.110 32.377 32.500 -0.021 0.000 1.418 562 K HN 0.471 nan 8.250 nan 0.000 0.255 563 M N 1.812 121.458 119.600 0.076 0.000 2.249 563 M HA -0.008 4.452 4.480 -0.033 0.000 0.340 563 M C -0.177 176.223 176.300 0.166 0.000 1.166 563 M CA 0.412 55.771 55.300 0.098 0.000 1.115 563 M CB 0.544 33.169 32.600 0.041 0.000 1.606 563 M HN 0.338 nan 8.290 nan 0.000 0.448 564 E N 5.260 125.507 120.200 0.080 0.000 2.383 564 E HA 0.085 4.415 4.350 -0.033 0.000 0.264 564 E C -1.996 174.627 176.600 0.038 0.000 1.050 564 E CA -1.617 54.836 56.400 0.090 0.000 0.896 564 E CB 0.454 30.157 29.700 0.005 0.000 0.982 564 E HN 0.538 nan 8.360 nan 0.000 0.424 565 P HA -0.277 nan 4.420 nan 0.000 0.214 565 P C 1.428 178.457 177.300 -0.452 0.000 1.163 565 P CA 1.424 64.385 63.100 -0.230 0.000 0.889 565 P CB 0.098 31.756 31.700 -0.069 0.000 0.790 566 Q N -0.233 119.378 119.800 -0.314 0.000 2.226 566 Q HA -0.090 4.230 4.340 -0.033 0.000 0.204 566 Q C 1.874 177.656 176.000 -0.365 0.000 0.975 566 Q CA 1.632 57.232 55.803 -0.338 0.000 0.866 566 Q CB -1.628 26.975 28.738 -0.225 0.000 0.915 566 Q HN 0.141 nan 8.270 nan 0.000 0.440 567 V N 1.800 121.491 119.914 -0.371 0.000 2.453 567 V HA -0.140 3.960 4.120 -0.033 0.000 0.247 567 V C 2.634 178.420 176.094 -0.513 0.000 1.048 567 V CA 1.561 63.570 62.300 -0.485 0.000 1.049 567 V CB -0.962 30.429 31.823 -0.720 0.000 0.672 567 V HN 0.492 nan 8.190 nan 0.000 0.457 568 A N 0.040 122.570 122.820 -0.482 0.000 1.898 568 A HA -0.198 4.102 4.320 -0.033 0.000 0.216 568 A C 2.281 179.566 177.584 -0.498 0.000 1.181 568 A CA 1.767 53.534 52.037 -0.450 0.000 0.620 568 A CB -0.366 18.336 19.000 -0.497 0.000 0.819 568 A HN 0.536 nan 8.150 nan 0.000 0.442 569 K N -0.696 119.295 120.400 -0.683 0.000 2.002 569 K HA -0.105 4.196 4.320 -0.033 0.000 0.209 569 K C 2.087 178.436 176.600 -0.417 0.000 1.048 569 K CA 1.197 57.076 56.287 -0.680 0.000 0.930 569 K CB -0.565 31.451 32.500 -0.807 0.000 0.714 569 K HN 0.448 nan 8.250 nan 0.000 0.438 570 G N 1.253 109.834 108.800 -0.366 0.000 2.479 570 G HA2 -0.270 3.670 3.960 -0.033 0.000 0.220 570 G HA3 -0.270 3.670 3.960 -0.033 0.000 0.220 570 G C 1.369 176.126 174.900 -0.238 0.000 1.115 570 G CA 0.808 45.752 45.100 -0.260 0.000 0.757 570 G HN 0.245 nan 8.290 nan 0.000 0.560 571 M N -0.484 118.929 119.600 -0.313 0.000 2.556 571 M HA 0.196 4.657 4.480 -0.033 0.000 0.264 571 M C 2.016 178.017 176.300 -0.498 0.000 1.163 571 M CA 0.798 55.901 55.300 -0.329 0.000 1.186 571 M CB 0.464 32.848 32.600 -0.361 0.000 1.321 571 M HN 0.012 nan 8.290 nan 0.000 0.485 572 V N 0.293 119.866 119.914 -0.568 0.000 3.354 572 V HA 0.041 4.142 4.120 -0.033 0.000 0.258 572 V C 0.963 176.880 176.094 -0.295 0.000 1.159 572 V CA 0.982 62.843 62.300 -0.730 0.000 1.125 572 V CB -0.094 31.417 31.823 -0.520 0.000 0.774 572 V HN 0.344 nan 8.190 nan 0.000 0.464 573 K N 0.325 120.591 120.400 -0.224 0.000 3.309 573 K HA 0.398 4.698 4.320 -0.033 0.000 0.187 573 K C 0.316 176.844 176.600 -0.121 0.000 1.085 573 K CA -0.150 56.056 56.287 -0.134 0.000 0.867 573 K CB 0.718 33.142 32.500 -0.127 0.000 0.846 573 K HN 0.380 nan 8.250 nan 0.000 0.522 574 G N 0.036 108.784 108.800 -0.087 0.000 2.568 574 G HA2 0.263 4.204 3.960 -0.033 0.000 0.293 574 G HA3 0.263 4.204 3.960 -0.033 0.000 0.293 574 G C -0.532 174.348 174.900 -0.033 0.000 1.347 574 G CA -0.338 44.716 45.100 -0.075 0.000 1.039 574 G HN 0.152 nan 8.290 nan 0.000 0.523 575 Q N -0.725 119.055 119.800 -0.034 0.000 2.214 575 Q HA 0.540 4.861 4.340 -0.033 0.000 0.251 575 Q C 0.251 176.246 176.000 -0.009 0.000 0.936 575 Q CA -0.631 55.161 55.803 -0.017 0.000 0.894 575 Q CB 1.821 30.540 28.738 -0.032 0.000 1.252 575 Q HN 0.624 nan 8.270 nan 0.000 0.448 576 A N 1.925 124.747 122.820 0.004 0.000 2.407 576 A HA 0.146 4.446 4.320 -0.033 0.000 0.248 576 A C -0.196 177.373 177.584 -0.026 0.000 1.082 576 A CA -0.335 51.698 52.037 -0.006 0.000 0.785 576 A CB 0.151 19.155 19.000 0.007 0.000 1.020 576 A HN 0.557 nan 8.150 nan 0.000 0.489 577 D N 1.089 121.465 120.400 -0.039 0.000 2.372 577 D HA 0.219 4.839 4.640 -0.033 0.000 0.243 577 D C 0.524 176.803 176.300 -0.035 0.000 1.121 577 D CA 0.298 54.274 54.000 -0.040 0.000 0.898 577 D CB 0.556 41.329 40.800 -0.045 0.000 1.202 577 D HN 0.456 nan 8.370 nan 0.000 0.428 578 R N 0.533 121.017 120.500 -0.028 0.000 2.784 578 R HA 0.119 4.439 4.340 -0.033 0.000 0.266 578 R C 0.080 176.384 176.300 0.006 0.000 1.044 578 R CA -0.598 55.495 56.100 -0.013 0.000 1.151 578 R CB 0.343 30.631 30.300 -0.019 0.000 1.037 578 R HN 0.206 nan 8.270 nan 0.000 0.478 579 L N 3.115 124.364 121.223 0.042 0.000 2.397 579 L HA 0.228 4.548 4.340 -0.033 0.000 0.263 579 L C -1.177 175.807 176.870 0.191 0.000 1.136 579 L CA -0.004 54.885 54.840 0.081 0.000 1.019 579 L CB 0.075 42.158 42.059 0.041 0.000 1.352 579 L HN 0.400 nan 8.230 nan 0.000 0.420 580 D N 1.730 122.197 120.400 0.112 0.000 2.175 580 D HA 0.200 4.820 4.640 -0.033 0.000 0.248 580 D C -0.039 176.345 176.300 0.139 0.000 1.047 580 D CA -0.030 54.014 54.000 0.075 0.000 0.883 580 D CB 1.797 42.583 40.800 -0.023 0.000 1.180 580 D HN 0.436 nan 8.370 nan 0.000 0.438 581 S N 0.566 116.336 115.700 0.117 0.000 2.568 581 S HA 0.306 4.756 4.470 -0.033 0.000 0.282 581 S C 0.201 174.993 174.600 0.320 0.000 1.338 581 S CA -0.335 58.016 58.200 0.251 0.000 1.045 581 S CB 0.412 63.731 63.200 0.198 0.000 0.873 581 S HN 0.462 nan 8.310 nan 0.000 0.516 582 A N 4.829 127.842 122.820 0.321 0.000 2.812 582 A HA 0.387 4.687 4.320 -0.033 0.000 0.294 582 A C -0.245 177.498 177.584 0.265 0.000 1.014 582 A CA -0.615 51.596 52.037 0.291 0.000 1.024 582 A CB -0.319 18.804 19.000 0.205 0.000 1.162 582 A HN 0.780 nan 8.150 nan 0.000 0.511 583 F N 2.360 122.372 119.950 0.104 0.000 2.484 583 F HA 0.491 4.999 4.527 -0.032 0.000 0.360 583 F C 0.521 176.216 175.800 -0.175 0.000 1.101 583 F CA 0.569 58.516 58.000 -0.089 0.000 1.251 583 F CB 0.437 39.387 39.000 -0.084 0.000 1.132 583 F HN 0.636 nan 8.300 nan 0.000 0.570 584 H N 3.431 122.016 119.070 -0.809 0.000 3.037 584 H HA 0.543 5.080 4.556 -0.031 0.000 0.355 584 H C -1.741 173.151 175.328 -0.726 0.000 1.263 584 H CA -1.382 54.305 56.048 -0.602 0.000 1.129 584 H CB 0.597 30.171 29.762 -0.313 0.000 1.861 584 H HN 0.580 nan 8.280 nan 0.000 0.546 585 L N 1.260 122.302 121.223 -0.303 0.000 2.350 585 L HA 0.648 4.968 4.340 -0.033 0.000 0.275 585 L C 0.729 177.461 176.870 -0.229 0.000 1.099 585 L CA -0.122 54.551 54.840 -0.277 0.000 0.808 585 L CB 1.155 43.112 42.059 -0.170 0.000 1.149 585 L HN 0.947 nan 8.230 nan 0.000 0.442 586 G N 0.271 108.929 108.800 -0.236 0.000 2.563 586 G HA2 0.403 4.344 3.960 -0.033 0.000 0.302 586 G HA3 0.403 4.344 3.960 -0.033 0.000 0.302 586 G C -0.395 174.371 174.900 -0.223 0.000 1.301 586 G CA -0.324 44.642 45.100 -0.224 0.000 0.965 586 G HN 0.504 nan 8.290 nan 0.000 0.480 587 Y N 0.691 120.970 120.300 -0.035 0.000 2.145 587 Y HA -0.167 4.362 4.550 -0.034 0.000 0.286 587 Y C 2.856 178.718 175.900 -0.063 0.000 1.145 587 Y CA 1.618 59.675 58.100 -0.071 0.000 1.148 587 Y CB -0.157 38.227 38.460 -0.127 0.000 0.981 587 Y HN 0.591 nan 8.280 nan 0.000 0.507 588 N N 0.850 119.618 118.700 0.113 0.000 2.061 588 N HA -0.269 4.451 4.740 -0.033 0.000 0.193 588 N C 2.022 177.497 175.510 -0.059 0.000 1.030 588 N CA 2.016 55.086 53.050 0.033 0.000 0.856 588 N CB -0.303 38.213 38.487 0.048 0.000 1.023 588 N HN 0.489 nan 8.380 nan 0.000 0.424 589 M N 0.506 120.081 119.600 -0.042 0.000 2.086 589 M HA -0.144 4.316 4.480 -0.033 0.000 0.261 589 M C 2.051 178.329 176.300 -0.036 0.000 1.067 589 M CA 1.429 56.702 55.300 -0.045 0.000 1.116 589 M CB -0.187 32.425 32.600 0.020 0.000 1.348 589 M HN 0.111 nan 8.290 nan 0.000 0.407 590 I N 0.702 121.266 120.570 -0.009 0.000 2.179 590 I HA -0.330 3.820 4.170 -0.033 0.000 0.242 590 I C 2.395 178.520 176.117 0.014 0.000 1.088 590 I CA 1.326 62.638 61.300 0.020 0.000 1.357 590 I CB -0.556 37.455 38.000 0.019 0.000 1.051 590 I HN 0.406 nan 8.210 nan 0.000 0.409 591 L N 0.361 121.587 121.223 0.005 0.000 2.042 591 L HA -0.247 4.073 4.340 -0.033 0.000 0.210 591 L C 2.394 179.237 176.870 -0.045 0.000 1.076 591 L CA 1.364 56.210 54.840 0.009 0.000 0.749 591 L CB -0.791 41.291 42.059 0.039 0.000 0.893 591 L HN 0.350 nan 8.230 nan 0.000 0.432 592 N N 0.145 118.746 118.700 -0.165 0.000 2.120 592 N HA -0.148 4.572 4.740 -0.033 0.000 0.188 592 N C 1.960 177.404 175.510 -0.110 0.000 1.024 592 N CA 1.286 54.156 53.050 -0.300 0.000 0.852 592 N CB -0.160 37.744 38.487 -0.970 0.000 1.003 592 N HN 0.321 nan 8.380 nan 0.000 0.424 593 L N 0.582 121.796 121.223 -0.016 0.000 2.141 593 L HA -0.068 4.252 4.340 -0.033 0.000 0.209 593 L C 2.437 179.349 176.870 0.070 0.000 1.094 593 L CA 0.748 55.656 54.840 0.114 0.000 0.763 593 L CB -0.254 41.904 42.059 0.165 0.000 0.908 593 L HN 0.154 nan 8.230 nan 0.000 0.437 594 M N -1.015 118.612 119.600 0.045 0.000 2.132 594 M HA -0.213 4.248 4.480 -0.033 0.000 0.263 594 M C 2.478 178.796 176.300 0.031 0.000 1.065 594 M CA 1.614 56.939 55.300 0.040 0.000 1.122 594 M CB -0.388 32.236 32.600 0.041 0.000 1.365 594 M HN 0.159 nan 8.290 nan 0.000 0.411 595 R N 0.469 120.983 120.500 0.024 0.000 2.061 595 R HA -0.032 4.288 4.340 -0.033 0.000 0.230 595 R C 0.349 176.668 176.300 0.031 0.000 1.140 595 R CA 0.796 56.910 56.100 0.023 0.000 0.940 595 R CB -0.227 30.081 30.300 0.013 0.000 0.839 595 R HN 0.135 nan 8.270 nan 0.000 0.429 596 V N 2.019 121.962 119.914 0.049 0.000 2.788 596 V HA -0.107 3.993 4.120 -0.033 0.000 0.307 596 V C 1.413 177.518 176.094 0.019 0.000 1.069 596 V CA 0.617 62.950 62.300 0.056 0.000 1.173 596 V CB 1.243 33.133 31.823 0.112 0.000 0.925 596 V HN 0.471 nan 8.190 nan 0.000 0.492 597 E N 3.355 123.556 120.200 0.002 0.000 2.051 597 E HA -0.037 4.293 4.350 -0.033 0.000 0.189 597 E C 2.112 178.685 176.600 -0.046 0.000 0.979 597 E CA 1.030 57.421 56.400 -0.014 0.000 0.803 597 E CB -0.294 29.400 29.700 -0.010 0.000 0.761 597 E HN 0.957 nan 8.360 nan 0.000 0.451 598 G N 1.044 109.799 108.800 -0.075 0.000 2.598 598 G HA2 0.028 3.968 3.960 -0.033 0.000 0.215 598 G HA3 0.028 3.968 3.960 -0.033 0.000 0.215 598 G C 0.797 175.554 174.900 -0.238 0.000 1.131 598 G CA 0.800 45.822 45.100 -0.130 0.000 0.785 598 G HN 0.356 nan 8.290 nan 0.000 0.539 599 I N -3.032 117.397 120.570 -0.235 0.000 3.264 599 I HA 0.795 4.946 4.170 -0.033 0.000 0.315 599 I C -0.638 175.415 176.117 -0.106 0.000 1.154 599 I CA -1.236 59.843 61.300 -0.369 0.000 0.962 599 I CB 2.298 39.900 38.000 -0.663 0.000 1.265 599 I HN -0.029 nan 8.210 nan 0.000 0.463 600 S N 0.532 116.235 115.700 0.005 0.000 2.661 600 S HA 0.650 5.100 4.470 -0.033 0.000 0.285 600 S C -2.566 172.154 174.600 0.199 0.000 1.138 600 S CA -1.287 56.976 58.200 0.106 0.000 0.855 600 S CB 1.855 65.112 63.200 0.096 0.000 1.136 600 S HN 0.513 nan 8.310 nan 0.000 0.484 601 P HA -0.028 nan 4.420 nan 0.000 0.216 601 P C 0.863 178.264 177.300 0.167 0.000 1.150 601 P CA 1.318 64.516 63.100 0.164 0.000 0.837 601 P CB -0.012 31.755 31.700 0.112 0.000 0.786 602 E N -1.373 118.916 120.200 0.148 0.000 2.106 602 E HA -0.160 4.170 4.350 -0.033 0.000 0.192 602 E C 1.696 178.386 176.600 0.150 0.000 0.984 602 E CA 0.779 57.254 56.400 0.125 0.000 0.806 602 E CB -1.179 28.584 29.700 0.106 0.000 0.750 602 E HN 0.250 nan 8.360 nan 0.000 0.458 603 F N 0.776 120.755 119.950 0.049 0.000 2.126 603 F HA -0.282 4.225 4.527 -0.033 0.000 0.299 603 F C 2.199 178.016 175.800 0.028 0.000 1.096 603 F CA 1.685 59.699 58.000 0.024 0.000 1.255 603 F CB -0.198 38.772 39.000 -0.051 0.000 0.997 603 F HN 0.050 nan 8.300 nan 0.000 0.479 604 M N 0.668 120.327 119.600 0.099 0.000 2.086 604 M HA -0.173 4.288 4.480 -0.033 0.000 0.261 604 M C 1.963 178.194 176.300 -0.115 0.000 1.067 604 M CA 1.896 57.206 55.300 0.018 0.000 1.116 604 M CB -0.820 31.928 32.600 0.247 0.000 1.348 604 M HN 0.303 nan 8.290 nan 0.000 0.407 605 L N -0.394 120.799 121.223 -0.050 0.000 2.012 605 L HA -0.259 4.062 4.340 -0.033 0.000 0.210 605 L C 2.334 179.117 176.870 -0.145 0.000 1.073 605 L CA 1.803 56.561 54.840 -0.136 0.000 0.748 605 L CB -1.029 41.021 42.059 -0.014 0.000 0.891 605 L HN 0.404 nan 8.230 nan 0.000 0.431 606 E N -0.983 119.176 120.200 -0.069 0.000 2.204 606 E HA -0.195 4.135 4.350 -0.033 0.000 0.195 606 E C 1.686 178.230 176.600 -0.095 0.000 0.990 606 E CA 0.898 57.268 56.400 -0.050 0.000 0.821 606 E CB -0.050 29.662 29.700 0.020 0.000 0.750 606 E HN 0.632 nan 8.360 nan 0.000 0.477 607 H N 0.017 118.909 119.070 -0.296 0.000 2.551 607 H HA 0.108 4.645 4.556 -0.033 0.000 0.271 607 H C 0.770 176.120 175.328 0.036 0.000 0.984 607 H CA -0.150 55.765 56.048 -0.222 0.000 1.164 607 H CB 0.506 29.947 29.762 -0.535 0.000 1.437 607 H HN 0.041 nan 8.280 nan 0.000 0.550 608 S N 0.017 115.684 115.700 -0.055 0.000 2.593 608 S HA -0.066 4.384 4.470 -0.033 0.000 0.269 608 S C 0.899 175.360 174.600 -0.232 0.000 1.334 608 S CA -0.665 57.414 58.200 -0.202 0.000 1.015 608 S CB 0.791 63.550 63.200 -0.736 0.000 0.912 608 S HN 0.223 nan 8.310 nan 0.000 0.541 609 F N 1.354 120.788 119.950 -0.861 0.000 2.407 609 F HA 0.124 4.631 4.527 -0.033 0.000 0.299 609 F C 1.413 176.903 175.800 -0.518 0.000 1.097 609 F CA -0.209 56.969 58.000 -1.370 0.000 1.422 609 F CB -0.586 37.306 39.000 -1.848 0.000 1.067 609 F HN 0.752 nan 8.300 nan 0.000 0.539 610 F N 1.010 120.682 119.950 -0.462 0.000 2.084 610 F HA -0.203 4.304 4.527 -0.033 0.000 0.296 610 F C 2.699 178.303 175.800 -0.326 0.000 1.111 610 F CA 2.120 59.909 58.000 -0.351 0.000 1.224 610 F CB -0.708 38.190 39.000 -0.171 0.000 0.991 610 F HN 0.080 nan 8.300 nan 0.000 0.471 611 Q N 0.053 119.839 119.800 -0.024 0.000 2.084 611 Q HA -0.263 4.057 4.340 -0.033 0.000 0.202 611 Q C 2.098 178.004 176.000 -0.157 0.000 0.978 611 Q CA 2.243 58.007 55.803 -0.065 0.000 0.844 611 Q CB -1.052 27.648 28.738 -0.063 0.000 0.898 611 Q HN 0.516 nan 8.270 nan 0.000 0.426 612 F N 0.700 120.453 119.950 -0.329 0.000 2.069 612 F HA -0.233 4.274 4.527 -0.033 0.000 0.298 612 F C 2.156 177.713 175.800 -0.404 0.000 1.113 612 F CA 2.135 59.949 58.000 -0.310 0.000 1.214 612 F CB -0.210 38.628 39.000 -0.271 0.000 0.978 612 F HN 0.179 nan 8.300 nan 0.000 0.474 613 Q N -0.025 119.458 119.800 -0.529 0.000 2.096 613 Q HA -0.277 4.044 4.340 -0.033 0.000 0.204 613 Q C 2.184 177.883 176.000 -0.502 0.000 0.982 613 Q CA 1.726 57.165 55.803 -0.607 0.000 0.850 613 Q CB -0.625 27.637 28.738 -0.793 0.000 0.901 613 Q HN 0.581 nan 8.270 nan 0.000 0.422 614 N N 0.096 118.517 118.700 -0.466 0.000 2.104 614 N HA -0.161 4.559 4.740 -0.033 0.000 0.190 614 N C 1.748 177.080 175.510 -0.297 0.000 1.024 614 N CA 1.288 54.130 53.050 -0.348 0.000 0.853 614 N CB 0.149 38.484 38.487 -0.254 0.000 1.008 614 N HN 0.063 nan 8.380 nan 0.000 0.424 615 V N 1.720 121.437 119.914 -0.328 0.000 2.515 615 V HA -0.159 3.941 4.120 -0.033 0.000 0.250 615 V C 2.159 178.046 176.094 -0.346 0.000 1.058 615 V CA 0.893 63.008 62.300 -0.309 0.000 1.064 615 V CB -0.303 31.327 31.823 -0.323 0.000 0.675 615 V HN 0.367 nan 8.190 nan 0.000 0.461 616 I N 0.993 121.290 120.570 -0.455 0.000 2.830 616 I HA -0.080 4.071 4.170 -0.033 0.000 0.263 616 I C 2.432 178.386 176.117 -0.271 0.000 1.230 616 I CA 1.659 62.719 61.300 -0.400 0.000 1.480 616 I CB -1.188 36.524 38.000 -0.479 0.000 1.095 616 I HN 0.527 nan 8.210 nan 0.000 0.455 617 S N -0.324 115.221 115.700 -0.258 0.000 2.501 617 S HA 0.022 4.472 4.470 -0.033 0.000 0.220 617 S C 1.978 176.479 174.600 -0.166 0.000 0.997 617 S CA 0.143 58.221 58.200 -0.202 0.000 0.919 617 S CB -0.443 62.631 63.200 -0.209 0.000 0.778 617 S HN 0.154 nan 8.310 nan 0.000 0.523 618 V N 3.494 123.307 119.914 -0.168 0.000 2.252 618 V HA -0.095 4.005 4.120 -0.033 0.000 0.249 618 V C -0.372 175.651 176.094 -0.119 0.000 1.056 618 V CA 2.228 64.446 62.300 -0.137 0.000 1.022 618 V CB -1.592 30.151 31.823 -0.132 0.000 0.641 618 V HN 0.387 nan 8.190 nan 0.000 0.445 619 P HA -0.109 nan 4.420 nan 0.000 0.215 619 P C 1.932 179.174 177.300 -0.096 0.000 1.153 619 P CA 1.288 64.327 63.100 -0.101 0.000 0.853 619 P CB -0.116 31.522 31.700 -0.103 0.000 0.788 620 V N -0.930 118.919 119.914 -0.108 0.000 2.332 620 V HA -0.281 3.820 4.120 -0.033 0.000 0.248 620 V C 2.447 178.484 176.094 -0.094 0.000 1.055 620 V CA 1.965 64.205 62.300 -0.100 0.000 1.038 620 V CB -1.042 30.714 31.823 -0.112 0.000 0.651 620 V HN 0.121 nan 8.190 nan 0.000 0.450 621 M N -1.002 118.537 119.600 -0.102 0.000 2.156 621 M HA -0.149 4.311 4.480 -0.033 0.000 0.264 621 M C 2.221 178.468 176.300 -0.088 0.000 1.067 621 M CA 1.660 56.903 55.300 -0.096 0.000 1.131 621 M CB -0.403 32.136 32.600 -0.103 0.000 1.368 621 M HN 0.363 nan 8.290 nan 0.000 0.416 622 E N 0.284 120.433 120.200 -0.086 0.000 2.110 622 E HA -0.220 4.110 4.350 -0.033 0.000 0.193 622 E C 1.950 178.509 176.600 -0.069 0.000 0.988 622 E CA 1.024 57.377 56.400 -0.077 0.000 0.804 622 E CB -0.092 29.564 29.700 -0.075 0.000 0.745 622 E HN 0.375 nan 8.360 nan 0.000 0.458 623 K N 1.394 121.753 120.400 -0.068 0.000 2.057 623 K HA -0.243 4.057 4.320 -0.033 0.000 0.207 623 K C 2.131 178.697 176.600 -0.058 0.000 1.049 623 K CA 1.464 57.715 56.287 -0.059 0.000 0.931 623 K CB 0.053 32.517 32.500 -0.059 0.000 0.714 623 K HN -0.168 nan 8.250 nan 0.000 0.440 624 K N 0.984 121.345 120.400 -0.065 0.000 2.097 624 K HA -0.124 4.177 4.320 -0.033 0.000 0.205 624 K C 1.926 178.486 176.600 -0.066 0.000 1.050 624 K CA 0.987 57.236 56.287 -0.064 0.000 0.938 624 K CB -0.457 32.001 32.500 -0.071 0.000 0.718 624 K HN 0.167 nan 8.250 nan 0.000 0.442 625 L N 0.486 121.665 121.223 -0.074 0.000 2.083 625 L HA 0.039 4.359 4.340 -0.033 0.000 0.209 625 L C 2.103 178.934 176.870 -0.065 0.000 1.083 625 L CA 2.079 56.871 54.840 -0.081 0.000 0.752 625 L CB -1.106 40.899 42.059 -0.089 0.000 0.899 625 L HN 0.256 nan 8.230 nan 0.000 0.433 626 A N -0.838 121.950 122.820 -0.054 0.000 1.902 626 A HA -0.218 4.082 4.320 -0.033 0.000 0.217 626 A C 2.122 179.690 177.584 -0.027 0.000 1.181 626 A CA 1.721 53.735 52.037 -0.038 0.000 0.623 626 A CB -0.548 18.430 19.000 -0.037 0.000 0.818 626 A HN 0.597 nan 8.150 nan 0.000 0.443 627 E N -0.044 120.137 120.200 -0.032 0.000 2.077 627 E HA -0.152 4.178 4.350 -0.033 0.000 0.193 627 E C 1.947 178.540 176.600 -0.013 0.000 0.989 627 E CA 1.126 57.512 56.400 -0.023 0.000 0.800 627 E CB -0.326 29.355 29.700 -0.030 0.000 0.746 627 E HN 0.603 nan 8.360 nan 0.000 0.452 628 L N 0.787 121.995 121.223 -0.025 0.000 2.046 628 L HA -0.231 4.089 4.340 -0.033 0.000 0.208 628 L C 2.930 179.815 176.870 0.025 0.000 1.077 628 L CA 1.760 56.590 54.840 -0.017 0.000 0.747 628 L CB -0.722 41.299 42.059 -0.064 0.000 0.896 628 L HN 0.185 nan 8.230 nan 0.000 0.432 629 K N 0.249 120.655 120.400 0.009 0.000 2.057 629 K HA -0.187 4.113 4.320 -0.033 0.000 0.207 629 K C 2.226 178.899 176.600 0.122 0.000 1.049 629 K CA 1.782 58.107 56.287 0.063 0.000 0.931 629 K CB -0.862 31.648 32.500 0.018 0.000 0.714 629 K HN 0.147 nan 8.250 nan 0.000 0.440 630 K N 0.785 121.221 120.400 0.060 0.000 2.057 630 K HA -0.085 4.216 4.320 -0.033 0.000 0.206 630 K C 2.065 178.692 176.600 0.046 0.000 1.050 630 K CA 1.228 57.542 56.287 0.045 0.000 0.935 630 K CB -0.546 31.964 32.500 0.016 0.000 0.715 630 K HN 0.670 nan 8.250 nan 0.000 0.439 631 D N -0.360 120.070 120.400 0.049 0.000 2.182 631 D HA -0.084 4.536 4.640 -0.033 0.000 0.201 631 D C 1.488 177.828 176.300 0.067 0.000 0.986 631 D CA 0.949 54.973 54.000 0.040 0.000 0.847 631 D CB -0.228 40.592 40.800 0.033 0.000 0.942 631 D HN 0.350 nan 8.370 nan 0.000 0.467 632 F N 0.905 120.833 119.950 -0.037 0.000 2.456 632 F HA -0.077 4.431 4.527 -0.033 0.000 0.298 632 F C 1.125 176.908 175.800 -0.028 0.000 1.104 632 F CA 0.789 58.767 58.000 -0.036 0.000 1.435 632 F CB 0.449 39.432 39.000 -0.029 0.000 1.078 632 F HN -0.228 nan 8.300 nan 0.000 0.546 633 D N -0.523 119.850 120.400 -0.045 0.000 2.389 633 D HA 0.125 4.745 4.640 -0.033 0.000 0.206 633 D C 2.278 178.517 176.300 -0.102 0.000 1.055 633 D CA 0.796 54.726 54.000 -0.116 0.000 0.856 633 D CB -0.346 40.455 40.800 0.003 0.000 0.957 633 D HN 0.340 nan 8.370 nan 0.000 0.509 634 G N 0.549 109.308 108.800 -0.070 0.000 2.534 634 G HA2 -0.110 3.831 3.960 -0.033 0.000 0.217 634 G HA3 -0.110 3.831 3.960 -0.033 0.000 0.217 634 G C 1.470 176.320 174.900 -0.085 0.000 1.128 634 G CA 0.158 45.223 45.100 -0.059 0.000 0.784 634 G HN 0.268 nan 8.290 nan 0.000 0.542 635 I N -0.130 120.358 120.570 -0.137 0.000 3.427 635 I HA 0.180 4.330 4.170 -0.033 0.000 0.288 635 I C 2.125 178.133 176.117 -0.181 0.000 1.249 635 I CA 0.728 61.934 61.300 -0.156 0.000 1.421 635 I CB -0.158 37.723 38.000 -0.199 0.000 1.086 635 I HN 0.413 nan 8.210 nan 0.000 0.448 636 E N 0.488 120.557 120.200 -0.217 0.000 3.365 636 E HA -0.347 3.984 4.350 -0.033 0.000 0.433 636 E C 0.383 176.857 176.600 -0.210 0.000 1.581 636 E CA 2.054 58.340 56.400 -0.190 0.000 1.316 636 E CB -1.692 27.944 29.700 -0.107 0.000 1.452 636 E HN 0.569 nan 8.360 nan 0.000 0.452 637 V N -0.106 119.733 119.914 -0.125 0.000 2.628 637 V HA 0.826 4.927 4.120 -0.033 0.000 0.306 637 V C 0.604 176.662 176.094 -0.061 0.000 1.045 637 V CA 0.948 63.195 62.300 -0.090 0.000 0.905 637 V CB 0.936 32.726 31.823 -0.054 0.000 0.997 637 V HN 1.711 nan 8.190 nan 0.000 0.436 638 E N 1.912 122.093 120.200 -0.031 0.000 2.605 638 E HA 0.428 4.758 4.350 -0.033 0.000 0.255 638 E C 1.188 177.776 176.600 -0.020 0.000 1.369 638 E CA 0.789 57.181 56.400 -0.014 0.000 1.017 638 E CB -0.366 29.352 29.700 0.029 0.000 1.086 638 E HN 1.654 nan 8.360 nan 0.000 0.605 639 D N -0.970 119.417 120.400 -0.021 0.000 2.104 639 D HA -0.007 4.613 4.640 -0.033 0.000 0.194 639 D C 0.933 177.215 176.300 -0.031 0.000 0.994 639 D CA 1.678 55.662 54.000 -0.026 0.000 0.830 639 D CB 0.071 40.854 40.800 -0.027 0.000 0.959 639 D HN 0.564 nan 8.370 nan 0.000 0.452 640 E N -1.180 118.996 120.200 -0.040 0.000 2.287 640 E HA 0.191 4.521 4.350 -0.033 0.000 0.274 640 E C 0.212 176.769 176.600 -0.071 0.000 0.896 640 E CA -0.439 55.932 56.400 -0.048 0.000 0.788 640 E CB 1.888 31.558 29.700 -0.050 0.000 1.244 640 E HN 0.112 nan 8.360 nan 0.000 0.408 641 E N 4.080 124.244 120.200 -0.059 0.000 2.265 641 E HA -0.227 4.104 4.350 -0.033 0.000 0.196 641 E C 0.942 177.481 176.600 -0.101 0.000 0.996 641 E CA 0.847 57.201 56.400 -0.077 0.000 0.832 641 E CB 0.054 29.733 29.700 -0.036 0.000 0.756 641 E HN 0.670 nan 8.360 nan 0.000 0.491 642 N N 0.679 119.337 118.700 -0.070 0.000 2.585 642 N HA -0.121 4.599 4.740 -0.033 0.000 0.188 642 N C 1.687 177.165 175.510 -0.054 0.000 1.102 642 N CA 0.457 53.478 53.050 -0.048 0.000 0.920 642 N CB 0.147 38.618 38.487 -0.028 0.000 0.963 642 N HN 0.079 nan 8.380 nan 0.000 0.447 643 V N 0.681 120.519 119.914 -0.126 0.000 2.951 643 V HA -0.084 4.016 4.120 -0.033 0.000 0.255 643 V C 2.388 178.322 176.094 -0.266 0.000 1.088 643 V CA 1.116 63.331 62.300 -0.142 0.000 1.109 643 V CB -0.435 31.270 31.823 -0.197 0.000 0.724 643 V HN 0.248 nan 8.190 nan 0.000 0.471 644 K N 0.409 120.559 120.400 -0.417 0.000 2.009 644 K HA -0.224 4.076 4.320 -0.033 0.000 0.210 644 K C 2.178 178.720 176.600 -0.096 0.000 1.049 644 K CA 2.234 58.268 56.287 -0.422 0.000 0.929 644 K CB -0.355 32.005 32.500 -0.233 0.000 0.714 644 K HN 0.613 nan 8.250 nan 0.000 0.440 645 E N 0.441 120.620 120.200 -0.035 0.000 2.097 645 E HA -0.262 4.068 4.350 -0.033 0.000 0.196 645 E C 1.731 178.366 176.600 0.059 0.000 1.000 645 E CA 1.774 58.184 56.400 0.017 0.000 0.804 645 E CB -1.226 28.488 29.700 0.023 0.000 0.740 645 E HN 0.624 nan 8.360 nan 0.000 0.454 646 Y N -0.241 120.055 120.300 -0.006 0.000 2.333 646 Y HA -0.129 4.401 4.550 -0.032 0.000 0.290 646 Y C 2.455 178.449 175.900 0.158 0.000 1.144 646 Y CA 2.351 60.485 58.100 0.057 0.000 1.228 646 Y CB -0.169 38.335 38.460 0.073 0.000 0.985 646 Y HN 0.560 nan 8.280 nan 0.000 0.542 647 H N -0.453 118.720 119.070 0.172 0.000 2.372 647 H HA -0.036 4.501 4.556 -0.033 0.000 0.301 647 H C 1.984 177.322 175.328 0.017 0.000 1.065 647 H CA 2.054 58.194 56.048 0.152 0.000 1.364 647 H CB 0.019 29.759 29.762 -0.038 0.000 1.406 647 H HN 0.391 nan 8.280 nan 0.000 0.521 648 E N 0.224 120.396 120.200 -0.046 0.000 2.051 648 E HA -0.142 4.188 4.350 -0.033 0.000 0.192 648 E C 2.088 178.597 176.600 -0.152 0.000 0.991 648 E CA 1.134 57.465 56.400 -0.115 0.000 0.799 648 E CB 0.069 29.752 29.700 -0.028 0.000 0.748 648 E HN 0.434 nan 8.360 nan 0.000 0.449 649 I N 1.560 122.051 120.570 -0.132 0.000 2.208 649 I HA -0.233 3.917 4.170 -0.033 0.000 0.245 649 I C 2.222 178.223 176.117 -0.193 0.000 1.097 649 I CA 1.413 62.623 61.300 -0.152 0.000 1.363 649 I CB -1.012 36.883 38.000 -0.174 0.000 1.051 649 I HN 0.122 nan 8.210 nan 0.000 0.413 650 E N 0.309 120.361 120.200 -0.246 0.000 2.152 650 E HA -0.160 4.171 4.350 -0.033 0.000 0.192 650 E C 2.173 178.659 176.600 -0.191 0.000 0.983 650 E CA 0.667 56.935 56.400 -0.220 0.000 0.818 650 E CB -0.008 29.573 29.700 -0.198 0.000 0.758 650 E HN 0.500 nan 8.360 nan 0.000 0.467 651 Q N 0.233 119.880 119.800 -0.256 0.000 2.046 651 Q HA -0.052 4.269 4.340 -0.033 0.000 0.200 651 Q C 2.166 178.035 176.000 -0.218 0.000 0.975 651 Q CA 1.332 56.987 55.803 -0.245 0.000 0.836 651 Q CB -0.556 27.997 28.738 -0.308 0.000 0.896 651 Q HN 0.222 nan 8.270 nan 0.000 0.428 652 A N 0.982 123.660 122.820 -0.236 0.000 1.908 652 A HA -0.166 4.134 4.320 -0.033 0.000 0.218 652 A C 2.203 179.583 177.584 -0.340 0.000 1.181 652 A CA 1.276 53.102 52.037 -0.350 0.000 0.627 652 A CB -0.736 18.108 19.000 -0.259 0.000 0.818 652 A HN 0.329 nan 8.150 nan 0.000 0.445 653 I N -0.751 119.736 120.570 -0.137 0.000 2.226 653 I HA -0.260 3.891 4.170 -0.033 0.000 0.245 653 I C 2.550 178.641 176.117 -0.045 0.000 1.100 653 I CA 1.824 63.109 61.300 -0.025 0.000 1.374 653 I CB -0.288 37.687 38.000 -0.043 0.000 1.057 653 I HN 0.377 nan 8.210 nan 0.000 0.413 654 K N 1.101 121.447 120.400 -0.091 0.000 2.103 654 K HA -0.161 4.139 4.320 -0.033 0.000 0.207 654 K C 2.095 178.653 176.600 -0.071 0.000 1.048 654 K CA 1.616 57.862 56.287 -0.068 0.000 0.930 654 K CB -0.303 32.154 32.500 -0.072 0.000 0.716 654 K HN 0.390 nan 8.250 nan 0.000 0.444 655 G N -0.242 108.473 108.800 -0.142 0.000 2.404 655 G HA2 -0.225 3.716 3.960 -0.033 0.000 0.215 655 G HA3 -0.225 3.716 3.960 -0.033 0.000 0.215 655 G C 1.094 175.948 174.900 -0.077 0.000 1.174 655 G CA 0.602 45.608 45.100 -0.155 0.000 0.780 655 G HN 0.247 nan 8.290 nan 0.000 0.537 656 Y N 1.079 121.355 120.300 -0.040 0.000 2.224 656 Y HA 0.009 4.539 4.550 -0.034 0.000 0.289 656 Y C 2.974 178.849 175.900 -0.042 0.000 1.146 656 Y CA 0.733 58.805 58.100 -0.046 0.000 1.182 656 Y CB -0.265 38.156 38.460 -0.065 0.000 0.983 656 Y HN 0.071 nan 8.280 nan 0.000 0.524 657 R N -0.197 120.369 120.500 0.110 0.000 2.148 657 R HA -0.151 4.170 4.340 -0.033 0.000 0.227 657 R C 1.962 178.289 176.300 0.045 0.000 1.103 657 R CA 1.237 57.370 56.100 0.055 0.000 0.983 657 R CB -0.115 30.199 30.300 0.024 0.000 0.874 657 R HN 0.285 nan 8.270 nan 0.000 0.451 658 E N 1.200 121.421 120.200 0.035 0.000 2.072 658 E HA -0.133 4.197 4.350 -0.033 0.000 0.190 658 E C 1.254 177.885 176.600 0.051 0.000 0.982 658 E CA 1.313 57.726 56.400 0.023 0.000 0.803 658 E CB -0.058 29.642 29.700 -0.001 0.000 0.755 658 E HN 0.100 nan 8.360 nan 0.000 0.453 659 D N -0.327 120.122 120.400 0.080 0.000 2.123 659 D HA -0.137 4.484 4.640 -0.033 0.000 0.196 659 D C 1.980 178.368 176.300 0.145 0.000 0.992 659 D CA 1.244 55.311 54.000 0.111 0.000 0.833 659 D CB -0.222 40.661 40.800 0.138 0.000 0.954 659 D HN 0.118 nan 8.370 nan 0.000 0.455 660 V N 0.819 120.816 119.914 0.139 0.000 2.343 660 V HA -0.222 3.878 4.120 -0.033 0.000 0.247 660 V C 2.562 178.778 176.094 0.202 0.000 1.051 660 V CA 1.557 63.989 62.300 0.220 0.000 1.036 660 V CB -0.417 31.479 31.823 0.121 0.000 0.654 660 V HN 0.147 nan 8.190 nan 0.000 0.451 661 R N -0.504 120.063 120.500 0.112 0.000 2.096 661 R HA -0.166 4.154 4.340 -0.033 0.000 0.235 661 R C 2.435 178.783 176.300 0.080 0.000 1.127 661 R CA 1.316 57.457 56.100 0.069 0.000 0.968 661 R CB -0.165 30.146 30.300 0.018 0.000 0.861 661 R HN 0.463 nan 8.270 nan 0.000 0.440 662 Q N -0.012 119.840 119.800 0.087 0.000 2.181 662 Q HA -0.123 4.197 4.340 -0.033 0.000 0.205 662 Q C 2.124 178.281 176.000 0.262 0.000 0.980 662 Q CA 1.345 57.225 55.803 0.129 0.000 0.862 662 Q CB -0.069 28.740 28.738 0.119 0.000 0.905 662 Q HN 0.253 nan 8.270 nan 0.000 0.429 663 V N -0.217 119.810 119.914 0.188 0.000 2.302 663 V HA -0.167 3.933 4.120 -0.033 0.000 0.243 663 V C 2.459 178.582 176.094 0.049 0.000 1.036 663 V CA 1.097 63.462 62.300 0.108 0.000 1.020 663 V CB -0.592 31.273 31.823 0.070 0.000 0.657 663 V HN 0.066 nan 8.190 nan 0.000 0.453 664 V N 1.246 121.184 119.914 0.041 0.000 2.380 664 V HA -0.272 3.828 4.120 -0.033 0.000 0.251 664 V C 2.601 178.716 176.094 0.035 0.000 1.063 664 V CA 2.654 64.948 62.300 -0.009 0.000 1.055 664 V CB -1.115 30.714 31.823 0.011 0.000 0.657 664 V HN 0.833 nan 8.190 nan 0.000 0.455 665 T N -3.554 111.074 114.554 0.124 0.000 3.100 665 T HA -0.016 4.314 4.350 -0.033 0.000 0.253 665 T C 0.919 175.726 174.700 0.179 0.000 1.118 665 T CA -0.107 62.085 62.100 0.153 0.000 1.058 665 T CB -0.436 68.523 68.868 0.153 0.000 0.953 665 T HN 0.546 nan 8.240 nan 0.000 0.515 666 H N 3.645 122.738 119.070 0.038 0.000 2.964 666 H HA 0.092 4.628 4.556 -0.033 0.000 0.328 666 H C -1.508 173.676 175.328 -0.240 0.000 1.030 666 H CA -1.583 54.289 56.048 -0.293 0.000 1.445 666 H CB 1.437 31.073 29.762 -0.210 0.000 1.449 666 H HN 0.004 nan 8.280 nan 0.000 0.581 667 P HA -0.194 nan 4.420 nan 0.000 0.217 667 P C 1.099 178.319 177.300 -0.134 0.000 1.148 667 P CA 1.974 64.841 63.100 -0.388 0.000 0.834 667 P CB -0.092 31.284 31.700 -0.539 0.000 0.783 668 A N -0.788 122.166 122.820 0.224 0.000 2.070 668 A HA -0.198 4.103 4.320 -0.033 0.000 0.220 668 A C 1.914 179.505 177.584 0.011 0.000 1.159 668 A CA 2.021 54.120 52.037 0.102 0.000 0.656 668 A CB -1.284 17.744 19.000 0.047 0.000 0.800 668 A HN 0.309 nan 8.150 nan 0.000 0.453 669 N N -1.383 117.329 118.700 0.020 0.000 2.606 669 N HA 0.255 4.976 4.740 -0.033 0.000 0.208 669 N C 1.896 177.451 175.510 0.075 0.000 1.046 669 N CA 0.603 53.664 53.050 0.019 0.000 0.891 669 N CB -0.085 38.373 38.487 -0.048 0.000 1.344 669 N HN 0.307 nan 8.380 nan 0.000 0.437 670 A N 1.482 124.302 122.820 0.001 0.000 1.898 670 A HA 0.003 4.303 4.320 -0.033 0.000 0.216 670 A C 2.054 179.598 177.584 -0.068 0.000 1.181 670 A CA 0.899 52.933 52.037 -0.005 0.000 0.620 670 A CB -0.868 18.092 19.000 -0.066 0.000 0.819 670 A HN 0.151 nan 8.150 nan 0.000 0.442 671 L N -0.042 121.025 121.223 -0.261 0.000 2.081 671 L HA -0.215 4.105 4.340 -0.033 0.000 0.212 671 L C 2.540 179.270 176.870 -0.232 0.000 1.080 671 L CA 1.610 56.163 54.840 -0.478 0.000 0.754 671 L CB -0.476 41.202 42.059 -0.636 0.000 0.893 671 L HN 0.314 nan 8.230 nan 0.000 0.433 672 S N -1.082 114.533 115.700 -0.140 0.000 2.547 672 S HA -0.041 4.409 4.470 -0.033 0.000 0.235 672 S C 0.983 175.341 174.600 -0.403 0.000 0.980 672 S CA 0.866 58.924 58.200 -0.237 0.000 0.941 672 S CB -0.133 62.881 63.200 -0.310 0.000 0.763 672 S HN 0.304 nan 8.310 nan 0.000 0.532 673 F N 0.029 119.950 119.950 -0.048 0.000 2.724 673 F HA 0.415 4.922 4.527 -0.034 0.000 0.310 673 F C 0.179 175.978 175.800 -0.002 0.000 1.107 673 F CA -0.200 57.789 58.000 -0.018 0.000 1.218 673 F CB 0.435 39.419 39.000 -0.026 0.000 1.042 673 F HN -0.010 nan 8.300 nan 0.000 0.540 674 L N 1.386 122.676 121.223 0.111 0.000 2.828 674 L HA 0.327 4.648 4.340 -0.033 0.000 0.233 674 L C -0.313 176.692 176.870 0.225 0.000 1.250 674 L CA -0.457 54.458 54.840 0.126 0.000 1.125 674 L CB -0.396 41.664 42.059 0.002 0.000 1.432 674 L HN 0.005 nan 8.230 nan 0.000 0.444 675 Q N 0.874 120.768 119.800 0.157 0.000 2.368 675 Q HA 0.258 4.579 4.340 -0.033 0.000 0.237 675 Q C -2.237 173.823 176.000 0.099 0.000 0.987 675 Q CA -1.528 54.348 55.803 0.122 0.000 0.896 675 Q CB -0.032 28.749 28.738 0.072 0.000 1.241 675 Q HN 0.057 nan 8.270 nan 0.000 0.485 676 P HA 0.004 nan 4.420 nan 0.000 0.262 676 P C 0.375 177.691 177.300 0.026 0.000 1.182 676 P CA 1.386 64.501 63.100 0.024 0.000 0.761 676 P CB 0.437 32.127 31.700 -0.018 0.000 0.795 677 G N 2.042 110.856 108.800 0.022 0.000 2.194 677 G HA2 -0.256 3.684 3.960 -0.033 0.000 0.236 677 G HA3 -0.256 3.684 3.960 -0.033 0.000 0.236 677 G C 0.382 175.321 174.900 0.065 0.000 0.987 677 G CA -0.238 44.882 45.100 0.033 0.000 0.635 677 G HN 0.690 nan 8.290 nan 0.000 0.520 678 R N 1.181 121.731 120.500 0.082 0.000 2.484 678 R HA 0.479 4.799 4.340 -0.033 0.000 0.293 678 R C 0.647 177.022 176.300 0.125 0.000 1.023 678 R CA -0.252 55.910 56.100 0.104 0.000 1.037 678 R CB -0.105 30.268 30.300 0.121 0.000 0.951 678 R HN 0.286 nan 8.270 nan 0.000 0.418 679 L N 5.878 127.186 121.223 0.141 0.000 2.361 679 L HA 0.255 4.575 4.340 -0.033 0.000 0.278 679 L C -0.248 176.862 176.870 0.400 0.000 1.113 679 L CA -0.511 54.474 54.840 0.243 0.000 0.849 679 L CB 0.650 42.775 42.059 0.110 0.000 1.155 679 L HN 0.524 nan 8.230 nan 0.000 0.452 680 V N 0.364 120.499 119.914 0.368 0.000 2.789 680 V HA 0.481 4.582 4.120 -0.033 0.000 0.311 680 V C -0.534 175.465 176.094 -0.158 0.000 1.073 680 V CA -0.934 61.451 62.300 0.141 0.000 0.921 680 V CB 1.933 33.781 31.823 0.042 0.000 1.009 680 V HN 0.740 nan 8.190 nan 0.000 0.426 681 E N 3.676 123.467 120.200 -0.680 0.000 2.081 681 E HA 0.447 4.777 4.350 -0.033 0.000 0.281 681 E C -0.954 175.401 176.600 -0.408 0.000 0.986 681 E CA -0.727 55.114 56.400 -0.932 0.000 0.796 681 E CB 0.989 29.828 29.700 -1.434 0.000 1.085 681 E HN 0.663 nan 8.360 nan 0.000 0.398 682 I N 3.221 123.650 120.570 -0.236 0.000 2.353 682 I HA 0.168 4.319 4.170 -0.033 0.000 0.293 682 I C 0.169 176.273 176.117 -0.021 0.000 0.992 682 I CA -0.289 60.956 61.300 -0.092 0.000 1.268 682 I CB 1.144 39.124 38.000 -0.034 0.000 1.387 682 I HN 0.355 nan 8.210 nan 0.000 0.478 683 S N 5.965 121.654 115.700 -0.018 0.000 2.381 683 S HA 0.243 4.693 4.470 -0.033 0.000 0.193 683 S C -0.917 173.695 174.600 0.020 0.000 1.287 683 S CA -0.425 57.782 58.200 0.012 0.000 1.199 683 S CB 0.611 63.783 63.200 -0.047 0.000 1.214 683 S HN 0.440 nan 8.310 nan 0.000 0.444 684 V N 5.423 125.386 119.914 0.082 0.000 2.521 684 V HA 0.348 4.448 4.120 -0.033 0.000 0.286 684 V C 0.701 176.811 176.094 0.027 0.000 1.034 684 V CA 0.661 62.989 62.300 0.046 0.000 1.045 684 V CB 0.195 32.060 31.823 0.070 0.000 0.974 684 V HN 1.032 nan 8.190 nan 0.000 0.480 685 N N 4.392 123.090 118.700 -0.002 0.000 2.815 685 N HA -0.222 4.498 4.740 -0.033 0.000 0.247 685 N C 1.151 176.650 175.510 -0.017 0.000 1.030 685 N CA 1.688 54.731 53.050 -0.011 0.000 0.881 685 N CB -1.410 37.074 38.487 -0.006 0.000 1.134 685 N HN 1.719 nan 8.380 nan 0.000 0.582 686 G N 0.369 109.158 108.800 -0.019 0.000 2.175 686 G HA2 -0.397 3.543 3.960 -0.033 0.000 0.265 686 G HA3 -0.397 3.543 3.960 -0.033 0.000 0.265 686 G C 0.739 175.624 174.900 -0.025 0.000 0.979 686 G CA 1.603 46.687 45.100 -0.026 0.000 0.663 686 G HN 0.774 nan 8.290 nan 0.000 0.533 687 K N -1.082 119.306 120.400 -0.021 0.000 2.402 687 K HA 0.308 4.608 4.320 -0.033 0.000 0.203 687 K C -0.298 176.273 176.600 -0.048 0.000 1.077 687 K CA 0.090 56.358 56.287 -0.031 0.000 1.051 687 K CB 0.754 33.238 32.500 -0.027 0.000 0.907 687 K HN 0.116 nan 8.250 nan 0.000 0.554 688 D N 2.067 122.445 120.400 -0.036 0.000 2.412 688 D HA 0.056 4.677 4.640 -0.033 0.000 0.276 688 D C -1.315 174.926 176.300 -0.098 0.000 1.196 688 D CA -0.389 53.552 54.000 -0.098 0.000 0.905 688 D CB 1.063 41.855 40.800 -0.014 0.000 1.081 688 D HN 0.112 nan 8.370 nan 0.000 0.502 689 N N 1.177 119.799 118.700 -0.131 0.000 2.400 689 N HA -0.049 4.671 4.740 -0.033 0.000 0.267 689 N C 0.110 175.537 175.510 -0.138 0.000 1.208 689 N CA 0.181 53.176 53.050 -0.091 0.000 0.951 689 N CB 0.122 38.561 38.487 -0.081 0.000 1.227 689 N HN 0.285 nan 8.380 nan 0.000 0.488 690 Y N 2.708 122.977 120.300 -0.053 0.000 2.490 690 Y HA 0.204 4.735 4.550 -0.032 0.000 0.281 690 Y C 1.876 177.760 175.900 -0.027 0.000 1.174 690 Y CA 0.602 58.686 58.100 -0.027 0.000 1.295 690 Y CB -0.155 38.290 38.460 -0.024 0.000 1.062 690 Y HN 0.757 nan 8.280 nan 0.000 0.522 691 G N 0.050 108.871 108.800 0.035 0.000 2.569 691 G HA2 -0.336 3.604 3.960 -0.033 0.000 0.259 691 G HA3 -0.336 3.604 3.960 -0.033 0.000 0.259 691 G C -0.752 174.103 174.900 -0.075 0.000 1.263 691 G CA -0.402 44.690 45.100 -0.014 0.000 0.928 691 G HN 0.316 nan 8.290 nan 0.000 0.572 692 W N 1.653 122.987 121.300 0.057 0.000 2.358 692 W HA 0.558 5.199 4.660 -0.032 0.000 0.307 692 W C 0.881 177.428 176.519 0.046 0.000 1.203 692 W CA 0.598 57.968 57.345 0.042 0.000 1.279 692 W CB 1.144 30.622 29.460 0.030 0.000 1.264 692 W HN 0.874 nan 8.180 nan 0.000 0.474 693 G N 1.065 110.001 108.800 0.226 0.000 2.938 693 G HA2 0.848 4.788 3.960 -0.033 0.000 0.258 693 G HA3 0.848 4.788 3.960 -0.033 0.000 0.258 693 G C -1.559 173.436 174.900 0.158 0.000 1.356 693 G CA -0.980 44.211 45.100 0.151 0.000 1.052 693 G HN 0.602 nan 8.290 nan 0.000 0.550 694 A N -0.871 122.005 122.820 0.094 0.000 2.398 694 A HA 0.625 4.925 4.320 -0.033 0.000 0.301 694 A C -0.580 177.034 177.584 0.050 0.000 1.041 694 A CA -0.452 51.634 52.037 0.083 0.000 0.711 694 A CB 1.721 20.760 19.000 0.066 0.000 1.240 694 A HN 0.943 nan 8.150 nan 0.000 0.420 695 V N 3.577 123.528 119.914 0.062 0.000 2.529 695 V HA 0.038 4.138 4.120 -0.033 0.000 0.292 695 V C 1.336 177.449 176.094 0.032 0.000 1.028 695 V CA 0.332 62.667 62.300 0.059 0.000 1.074 695 V CB 0.879 32.762 31.823 0.100 0.000 0.958 695 V HN 0.745 nan 8.190 nan 0.000 0.481 696 V N 3.915 123.835 119.914 0.011 0.000 2.341 696 V HA 0.111 4.212 4.120 -0.033 0.000 0.240 696 V C 0.447 176.531 176.094 -0.018 0.000 1.035 696 V CA 1.666 63.952 62.300 -0.023 0.000 1.033 696 V CB -0.181 31.614 31.823 -0.047 0.000 0.678 696 V HN 1.175 nan 8.190 nan 0.000 0.464 697 D N -1.447 118.956 120.400 0.005 0.000 2.725 697 D HA 0.388 5.009 4.640 -0.033 0.000 0.292 697 D C -0.885 175.472 176.300 0.095 0.000 1.288 697 D CA -0.648 53.341 54.000 -0.019 0.000 0.784 697 D CB 1.057 41.798 40.800 -0.098 0.000 1.308 697 D HN 0.181 nan 8.370 nan 0.000 0.429 698 F N -2.049 117.928 119.950 0.044 0.000 2.643 698 F HA 0.990 5.496 4.527 -0.036 0.000 0.314 698 F C -1.518 174.373 175.800 0.152 0.000 1.096 698 F CA -1.110 56.944 58.000 0.090 0.000 0.953 698 F CB 1.807 40.858 39.000 0.084 0.000 1.345 698 F HN 0.813 nan 8.300 nan 0.000 0.468 699 A N 1.736 124.836 122.820 0.467 0.000 2.594 699 A HA 0.544 4.844 4.320 -0.033 0.000 0.296 699 A C -1.476 176.264 177.584 0.260 0.000 1.061 699 A CA -1.074 51.159 52.037 0.327 0.000 0.689 699 A CB 1.549 20.707 19.000 0.264 0.000 1.280 699 A HN 0.999 nan 8.150 nan 0.000 0.406 700 K N 0.864 121.298 120.400 0.058 0.000 2.355 700 K HA 0.248 4.548 4.320 -0.033 0.000 0.270 700 K C 0.092 176.546 176.600 -0.243 0.000 1.003 700 K CA -0.136 55.925 56.287 -0.377 0.000 0.957 700 K CB 0.434 32.684 32.500 -0.417 0.000 0.939 700 K HN 0.660 nan 8.250 nan 0.000 0.482 701 R N 2.973 123.288 120.500 -0.308 0.000 2.202 701 R HA 0.329 4.650 4.340 -0.033 0.000 0.334 701 R C -0.611 175.653 176.300 -0.059 0.000 1.036 701 R CA -0.103 55.869 56.100 -0.214 0.000 0.878 701 R CB 0.473 30.508 30.300 -0.442 0.000 1.067 701 R HN 0.540 nan 8.270 nan 0.000 0.457 702 I N 3.370 123.903 120.570 -0.062 0.000 2.359 702 I HA 0.259 4.409 4.170 -0.033 0.000 0.284 702 I C -0.331 175.809 176.117 0.039 0.000 1.018 702 I CA -0.888 60.406 61.300 -0.010 0.000 1.173 702 I CB 1.308 39.256 38.000 -0.087 0.000 1.326 702 I HN 0.635 nan 8.210 nan 0.000 0.462 703 N N 5.083 123.851 118.700 0.112 0.000 2.482 703 N HA 0.366 5.087 4.740 -0.033 0.000 0.242 703 N C 1.129 176.640 175.510 0.002 0.000 1.100 703 N CA 0.601 53.694 53.050 0.071 0.000 0.946 703 N CB 1.339 39.831 38.487 0.007 0.000 1.227 703 N HN 0.803 nan 8.380 nan 0.000 0.508 704 K N 2.840 123.238 120.400 -0.003 0.000 2.116 704 K HA -0.084 4.216 4.320 -0.033 0.000 0.203 704 K C 2.249 178.840 176.600 -0.015 0.000 1.052 704 K CA 1.646 57.922 56.287 -0.017 0.000 0.952 704 K CB -0.963 31.522 32.500 -0.025 0.000 0.729 704 K HN 0.603 nan 8.250 nan 0.000 0.446 705 R N 0.876 121.373 120.500 -0.005 0.000 2.115 705 R HA 0.033 4.353 4.340 -0.033 0.000 0.230 705 R C 1.190 177.481 176.300 -0.016 0.000 1.111 705 R CA 1.349 57.445 56.100 -0.007 0.000 0.976 705 R CB -0.707 29.597 30.300 0.007 0.000 0.870 705 R HN 0.576 nan 8.270 nan 0.000 0.445 706 N N -0.509 118.178 118.700 -0.023 0.000 2.617 706 N HA 0.283 5.003 4.740 -0.033 0.000 0.263 706 N C -2.473 172.998 175.510 -0.065 0.000 1.074 706 N CA -2.540 50.485 53.050 -0.041 0.000 0.841 706 N CB 2.119 40.580 38.487 -0.043 0.000 1.221 706 N HN -0.103 nan 8.380 nan 0.000 0.529 707 P HA -0.097 nan 4.420 nan 0.000 0.213 707 P C 0.929 178.182 177.300 -0.077 0.000 1.170 707 P CA 1.302 64.368 63.100 -0.057 0.000 0.893 707 P CB 0.098 31.777 31.700 -0.036 0.000 0.784 708 S N -1.304 114.357 115.700 -0.065 0.000 2.660 708 S HA 0.214 4.664 4.470 -0.033 0.000 0.228 708 S C 0.955 175.495 174.600 -0.100 0.000 0.966 708 S CA -0.085 58.075 58.200 -0.066 0.000 0.940 708 S CB -1.281 61.894 63.200 -0.041 0.000 0.773 708 S HN 0.162 nan 8.310 nan 0.000 0.535 709 A N 1.247 123.978 122.820 -0.149 0.000 2.425 709 A HA 0.572 4.872 4.320 -0.033 0.000 0.249 709 A C -0.034 177.359 177.584 -0.318 0.000 1.084 709 A CA -0.428 51.472 52.037 -0.229 0.000 0.781 709 A CB 0.392 19.218 19.000 -0.289 0.000 1.019 709 A HN 0.389 nan 8.150 nan 0.000 0.490 710 V N 3.282 123.027 119.914 -0.281 0.000 2.448 710 V HA 0.331 4.432 4.120 -0.033 0.000 0.295 710 V C -1.136 174.841 176.094 -0.195 0.000 1.025 710 V CA -0.414 61.760 62.300 -0.211 0.000 0.859 710 V CB 0.947 32.722 31.823 -0.080 0.000 0.988 710 V HN 0.724 nan 8.190 nan 0.000 0.431 711 Y N 1.878 122.173 120.300 -0.007 0.000 2.330 711 Y HA 0.453 5.002 4.550 -0.001 0.000 0.336 711 Y C 1.112 177.014 175.900 0.004 0.000 1.036 711 Y CA -0.745 57.352 58.100 -0.005 0.000 1.125 711 Y CB 1.531 39.976 38.460 -0.024 0.000 1.194 711 Y HN 0.583 nan 8.280 nan 0.000 0.469 712 T N 3.054 117.728 114.554 0.201 0.000 2.903 712 T HA -0.041 4.289 4.350 -0.033 0.000 0.314 712 T C 0.826 175.579 174.700 0.088 0.000 1.078 712 T CA -0.239 61.937 62.100 0.127 0.000 1.114 712 T CB 0.462 69.407 68.868 0.127 0.000 0.987 712 T HN 0.575 nan 8.240 nan 0.000 0.548 713 D N 0.896 121.312 120.400 0.026 0.000 2.149 713 D HA -0.120 4.500 4.640 -0.033 0.000 0.194 713 D C 1.834 178.020 176.300 -0.190 0.000 1.001 713 D CA 1.729 55.657 54.000 -0.120 0.000 0.849 713 D CB -0.191 40.448 40.800 -0.268 0.000 0.939 713 D HN 0.663 nan 8.370 nan 0.000 0.449 714 H N 0.090 119.116 119.070 -0.072 0.000 2.462 714 H HA 0.063 4.599 4.556 -0.033 0.000 0.292 714 H C 1.671 176.980 175.328 -0.032 0.000 1.049 714 H CA 0.920 56.929 56.048 -0.064 0.000 1.334 714 H CB 0.234 29.971 29.762 -0.041 0.000 1.404 714 H HN 0.245 nan 8.280 nan 0.000 0.544 715 E N -0.032 120.218 120.200 0.084 0.000 2.371 715 E HA -0.079 4.252 4.350 -0.033 0.000 0.194 715 E C 1.939 178.430 176.600 -0.183 0.000 1.012 715 E CA 0.768 57.156 56.400 -0.020 0.000 0.860 715 E CB 0.231 29.955 29.700 0.040 0.000 0.811 715 E HN 0.453 nan 8.360 nan 0.000 0.502 716 S N -0.086 115.561 115.700 -0.088 0.000 2.474 716 S HA -0.101 4.349 4.470 -0.033 0.000 0.235 716 S C 0.331 174.713 174.600 -0.363 0.000 0.997 716 S CA 0.440 58.517 58.200 -0.204 0.000 0.949 716 S CB -0.169 62.983 63.200 -0.079 0.000 0.766 716 S HN 0.145 nan 8.310 nan 0.000 0.517 717 Y N 0.628 120.852 120.300 -0.128 0.000 2.409 717 Y HA 0.591 5.126 4.550 -0.024 0.000 0.343 717 Y C -0.142 175.736 175.900 -0.036 0.000 0.973 717 Y CA -1.407 56.659 58.100 -0.056 0.000 1.064 717 Y CB 1.246 39.665 38.460 -0.068 0.000 1.207 717 Y HN 0.060 nan 8.280 nan 0.000 0.452 718 I N 4.643 125.312 120.570 0.165 0.000 2.336 718 I HA 0.307 4.457 4.170 -0.033 0.000 0.292 718 I C -0.570 175.656 176.117 0.181 0.000 0.991 718 I CA -0.811 60.568 61.300 0.131 0.000 1.227 718 I CB 1.200 39.291 38.000 0.152 0.000 1.366 718 I HN 0.269 nan 8.210 nan 0.000 0.466 719 V N 6.785 126.762 119.914 0.105 0.000 2.370 719 V HA 0.353 4.453 4.120 -0.033 0.000 0.283 719 V C 0.238 176.344 176.094 0.021 0.000 1.023 719 V CA -0.941 61.427 62.300 0.112 0.000 0.857 719 V CB 1.558 33.427 31.823 0.077 0.000 0.985 719 V HN 0.601 nan 8.190 nan 0.000 0.443 720 N N 3.331 122.034 118.700 0.004 0.000 2.488 720 N HA 0.514 5.234 4.740 -0.033 0.000 0.274 720 N C -0.690 174.798 175.510 -0.037 0.000 1.111 720 N CA -0.034 52.979 53.050 -0.061 0.000 0.974 720 N CB 1.972 40.395 38.487 -0.105 0.000 1.089 720 N HN 0.430 nan 8.380 nan 0.000 0.465 721 V N 2.014 121.891 119.914 -0.062 0.000 2.760 721 V HA 0.303 4.403 4.120 -0.033 0.000 0.309 721 V C -0.143 175.918 176.094 -0.055 0.000 1.077 721 V CA -0.905 61.368 62.300 -0.046 0.000 0.910 721 V CB 2.485 34.275 31.823 -0.054 0.000 1.008 721 V HN 0.265 nan 8.190 nan 0.000 0.424 722 V N 5.263 125.162 119.914 -0.024 0.000 2.406 722 V HA 0.467 4.568 4.120 -0.033 0.000 0.272 722 V C -0.028 176.072 176.094 0.009 0.000 1.043 722 V CA -0.260 62.032 62.300 -0.014 0.000 0.915 722 V CB 1.475 33.297 31.823 -0.002 0.000 0.988 722 V HN 0.727 nan 8.190 nan 0.000 0.466 723 V N 2.699 122.617 119.914 0.006 0.000 2.769 723 V HA 0.688 4.788 4.120 -0.033 0.000 0.312 723 V C 0.189 176.331 176.094 0.081 0.000 1.061 723 V CA -0.666 61.668 62.300 0.056 0.000 0.931 723 V CB 2.118 33.972 31.823 0.052 0.000 1.010 723 V HN 0.811 nan 8.190 nan 0.000 0.433 724 N N 0.722 119.486 118.700 0.107 0.000 2.235 724 N HA 0.050 4.771 4.740 -0.033 0.000 0.231 724 N C 0.734 176.310 175.510 0.111 0.000 1.177 724 N CA 0.370 53.477 53.050 0.095 0.000 0.874 724 N CB 0.362 38.897 38.487 0.080 0.000 1.097 724 N HN 0.908 nan 8.380 nan 0.000 0.518 725 T N -3.354 111.291 114.554 0.152 0.000 3.129 725 T HA 0.296 4.626 4.350 -0.033 0.000 0.267 725 T C 0.443 175.242 174.700 0.166 0.000 1.018 725 T CA -0.578 61.606 62.100 0.140 0.000 0.903 725 T CB -0.202 68.740 68.868 0.124 0.000 1.067 725 T HN 0.071 nan 8.240 nan 0.000 0.549 726 M N 3.172 122.896 119.600 0.207 0.000 2.248 726 M HA 0.290 4.751 4.480 -0.033 0.000 0.345 726 M C -0.263 176.152 176.300 0.192 0.000 1.243 726 M CA -1.212 54.231 55.300 0.239 0.000 1.090 726 M CB -0.082 32.633 32.600 0.192 0.000 1.683 726 M HN 0.348 nan 8.290 nan 0.000 0.450 727 Y N 5.544 125.890 120.300 0.076 0.000 2.717 727 Y HA 0.007 4.537 4.550 -0.033 0.000 0.330 727 Y C 1.016 176.951 175.900 0.058 0.000 1.217 727 Y CA 0.502 58.632 58.100 0.051 0.000 1.506 727 Y CB 0.241 38.727 38.460 0.044 0.000 1.268 727 Y HN 0.844 nan 8.280 nan 0.000 0.561 728 I N 3.359 123.643 120.570 -0.478 0.000 2.361 728 I HA -0.259 3.891 4.170 -0.033 0.000 0.251 728 I C 0.742 176.584 176.117 -0.458 0.000 1.133 728 I CA 1.751 62.821 61.300 -0.383 0.000 1.413 728 I CB 0.066 37.902 38.000 -0.274 0.000 1.073 728 I HN 0.664 nan 8.210 nan 0.000 0.424 729 D N 0.770 120.630 120.400 -0.899 0.000 2.340 729 D HA 0.114 4.735 4.640 -0.033 0.000 0.217 729 D C 0.483 176.731 176.300 -0.088 0.000 1.081 729 D CA 0.159 53.907 54.000 -0.420 0.000 0.842 729 D CB 0.247 40.856 40.800 -0.318 0.000 0.934 729 D HN 0.150 nan 8.370 nan 0.000 0.511 730 S N 1.794 117.480 115.700 -0.022 0.000 2.549 730 S HA 0.147 4.597 4.470 -0.033 0.000 0.283 730 S C -2.217 172.449 174.600 0.110 0.000 1.320 730 S CA -0.783 57.517 58.200 0.166 0.000 1.058 730 S CB 1.032 64.356 63.200 0.207 0.000 0.882 730 S HN 0.027 nan 8.310 nan 0.000 0.498 731 P HA 0.142 nan 4.420 nan 0.000 0.235 731 P C 0.560 177.914 177.300 0.090 0.000 1.765 731 P CA 0.004 63.177 63.100 0.122 0.000 1.034 731 P CB -0.159 31.634 31.700 0.155 0.000 1.984 732 V N 1.461 121.415 119.914 0.066 0.000 2.867 732 V HA -0.214 3.886 4.120 -0.033 0.000 0.260 732 V C 2.052 178.167 176.094 0.036 0.000 1.099 732 V CA 1.598 63.924 62.300 0.043 0.000 1.122 732 V CB -0.903 30.937 31.823 0.028 0.000 0.708 732 V HN 0.537 nan 8.190 nan 0.000 0.490 733 N N 0.133 118.864 118.700 0.052 0.000 2.550 733 N HA -0.080 4.640 4.740 -0.033 0.000 0.186 733 N C 1.529 177.071 175.510 0.054 0.000 1.110 733 N CA 0.866 53.947 53.050 0.051 0.000 0.912 733 N CB 0.016 38.544 38.487 0.070 0.000 0.968 733 N HN 0.440 nan 8.380 nan 0.000 0.448 734 L N 0.763 122.025 121.223 0.064 0.000 2.463 734 L HA 0.185 4.505 4.340 -0.033 0.000 0.219 734 L C 0.646 177.517 176.870 0.000 0.000 1.088 734 L CA -0.132 54.745 54.840 0.063 0.000 0.849 734 L CB -0.045 42.105 42.059 0.153 0.000 1.012 734 L HN 0.164 nan 8.230 nan 0.000 0.468 735 L N 0.071 121.291 121.223 -0.005 0.000 2.367 735 L HA 0.327 4.648 4.340 -0.033 0.000 0.275 735 L C -0.428 176.418 176.870 -0.040 0.000 1.129 735 L CA 0.159 54.980 54.840 -0.032 0.000 0.839 735 L CB 0.154 42.190 42.059 -0.038 0.000 1.133 735 L HN 0.065 nan 8.230 nan 0.000 0.453 736 K N 3.626 124.002 120.400 -0.041 0.000 2.095 736 K HA 0.569 4.869 4.320 -0.033 0.000 0.252 736 K C -2.337 174.249 176.600 -0.024 0.000 0.977 736 K CA -1.719 54.556 56.287 -0.019 0.000 0.900 736 K CB 0.681 33.184 32.500 0.005 0.000 1.060 736 K HN 0.484 nan 8.250 nan 0.000 0.449 737 P HA 0.008 nan 4.420 nan 0.000 0.268 737 P C -0.704 176.631 177.300 0.058 0.000 1.204 737 P CA 0.130 63.169 63.100 -0.101 0.000 0.768 737 P CB 0.055 31.751 31.700 -0.006 0.000 0.842 738 F N -0.988 118.950 119.950 -0.020 0.000 2.973 738 F HA -0.236 4.274 4.527 -0.027 0.000 0.299 738 F C 0.563 176.345 175.800 -0.029 0.000 0.737 738 F CA 0.567 58.552 58.000 -0.025 0.000 1.151 738 F CB -1.969 37.020 39.000 -0.019 0.000 1.440 738 F HN 0.310 nan 8.300 nan 0.000 0.367 739 N N 1.282 120.028 118.700 0.077 0.000 2.558 739 N HA 0.323 5.043 4.740 -0.033 0.000 0.242 739 N C -1.397 174.108 175.510 -0.010 0.000 0.979 739 N CA -2.187 50.888 53.050 0.042 0.000 0.931 739 N CB 1.345 39.852 38.487 0.034 0.000 1.122 739 N HN -0.147 nan 8.380 nan 0.000 0.508 740 P HA 0.010 nan 4.420 nan 0.000 0.237 740 P C -0.232 177.046 177.300 -0.037 0.000 1.178 740 P CA 0.458 63.538 63.100 -0.034 0.000 0.766 740 P CB 0.100 31.782 31.700 -0.031 0.000 0.876 741 T N 3.130 117.664 114.554 -0.035 0.000 2.992 741 T HA 0.189 4.519 4.350 -0.033 0.000 0.299 741 T C 0.328 174.990 174.700 -0.064 0.000 1.027 741 T CA -0.243 61.828 62.100 -0.049 0.000 1.001 741 T CB -0.197 68.636 68.868 -0.058 0.000 1.005 741 T HN -0.129 nan 8.240 nan 0.000 0.599 742 L N 5.421 126.611 121.223 -0.054 0.000 2.410 742 L HA 0.285 4.605 4.340 -0.033 0.000 0.273 742 L C -1.678 175.149 176.870 -0.073 0.000 1.144 742 L CA -1.946 52.864 54.840 -0.050 0.000 0.863 742 L CB -0.224 41.822 42.059 -0.022 0.000 1.140 742 L HN 0.311 nan 8.230 nan 0.000 0.463 743 P HA 0.049 nan 4.420 nan 0.000 0.269 743 P C -0.393 176.778 177.300 -0.216 0.000 1.217 743 P CA -0.405 62.611 63.100 -0.141 0.000 0.783 743 P CB 0.410 32.071 31.700 -0.065 0.000 0.898 744 E N 0.522 120.477 120.200 -0.408 0.000 2.373 744 E HA 0.344 4.674 4.350 -0.033 0.000 0.267 744 E C 0.728 176.958 176.600 -0.617 0.000 1.032 744 E CA -0.256 55.828 56.400 -0.528 0.000 0.889 744 E CB -0.219 29.040 29.700 -0.735 0.000 0.984 744 E HN 0.711 nan 8.360 nan 0.000 0.425 745 G N 3.002 111.694 108.800 -0.180 0.000 2.238 745 G HA2 -0.233 3.708 3.960 -0.033 0.000 0.217 745 G HA3 -0.233 3.708 3.960 -0.033 0.000 0.217 745 G C 0.171 175.180 174.900 0.181 0.000 0.996 745 G CA -0.126 45.090 45.100 0.194 0.000 0.632 745 G HN 0.552 nan 8.290 nan 0.000 0.503 746 I N 2.635 123.256 120.570 0.085 0.000 2.291 746 I HA 0.513 4.663 4.170 -0.033 0.000 0.290 746 I C 0.676 176.889 176.117 0.161 0.000 1.050 746 I CA -0.486 60.896 61.300 0.137 0.000 1.245 746 I CB 0.608 38.662 38.000 0.090 0.000 1.405 746 I HN 0.446 nan 8.210 nan 0.000 0.478 747 R N 5.651 126.264 120.500 0.187 0.000 2.734 747 R HA 0.679 4.999 4.340 -0.033 0.000 0.271 747 R C -3.239 173.058 176.300 -0.004 0.000 1.021 747 R CA -1.996 54.146 56.100 0.070 0.000 0.893 747 R CB 0.946 31.233 30.300 -0.022 0.000 1.244 747 R HN 0.030 nan 8.270 nan 0.000 0.464 748 P HA 0.100 nan 4.420 nan 0.000 0.272 748 P C -0.728 176.508 177.300 -0.106 0.000 1.223 748 P CA -0.216 62.671 63.100 -0.355 0.000 0.784 748 P CB 0.803 32.123 31.700 -0.632 0.000 0.923 749 A N 2.473 125.306 122.820 0.022 0.000 2.440 749 A HA 0.226 4.527 4.320 -0.033 0.000 0.251 749 A C 0.355 177.932 177.584 -0.012 0.000 1.089 749 A CA 0.067 52.154 52.037 0.083 0.000 0.779 749 A CB -0.327 18.788 19.000 0.192 0.000 1.022 749 A HN 0.522 nan 8.150 nan 0.000 0.492 750 E N 0.671 120.843 120.200 -0.048 0.000 2.700 750 E HA 0.505 4.835 4.350 -0.033 0.000 0.253 750 E C 0.748 177.341 176.600 -0.011 0.000 1.175 750 E CA 0.274 56.644 56.400 -0.050 0.000 1.010 750 E CB 0.248 29.897 29.700 -0.084 0.000 1.284 750 E HN 0.808 nan 8.360 nan 0.000 0.557 751 E N 0.056 120.248 120.200 -0.013 0.000 2.498 751 E HA 0.338 4.669 4.350 -0.033 0.000 0.252 751 E C 0.877 177.485 176.600 0.012 0.000 1.025 751 E CA 0.428 56.830 56.400 0.002 0.000 0.938 751 E CB -0.932 28.767 29.700 -0.002 0.000 0.947 751 E HN 0.837 nan 8.360 nan 0.000 0.478 752 G N 2.260 111.076 108.800 0.027 0.000 2.141 752 G HA2 -0.195 3.746 3.960 -0.033 0.000 0.231 752 G HA3 -0.195 3.746 3.960 -0.033 0.000 0.231 752 G C 0.102 175.038 174.900 0.059 0.000 0.984 752 G CA 0.255 45.376 45.100 0.035 0.000 0.660 752 G HN 0.685 nan 8.290 nan 0.000 0.525 753 E N 0.384 120.633 120.200 0.082 0.000 2.207 753 E HA 0.637 4.967 4.350 -0.033 0.000 0.270 753 E C 0.507 177.185 176.600 0.131 0.000 0.927 753 E CA -0.219 56.271 56.400 0.150 0.000 0.799 753 E CB 1.286 31.133 29.700 0.243 0.000 1.172 753 E HN 0.461 nan 8.360 nan 0.000 0.404 754 K N 0.967 121.432 120.400 0.109 0.000 2.258 754 K HA 0.372 4.673 4.320 -0.033 0.000 0.264 754 K C -0.076 176.557 176.600 0.055 0.000 1.007 754 K CA -0.335 55.984 56.287 0.053 0.000 0.941 754 K CB 0.887 33.391 32.500 0.007 0.000 0.966 754 K HN 0.432 nan 8.250 nan 0.000 0.480 755 S N -0.581 115.145 115.700 0.043 0.000 2.638 755 S HA 0.832 5.282 4.470 -0.033 0.000 0.302 755 S C -0.178 174.438 174.600 0.027 0.000 1.096 755 S CA -0.314 57.918 58.200 0.053 0.000 0.953 755 S CB 0.739 63.983 63.200 0.074 0.000 1.107 755 S HN 0.885 nan 8.310 nan 0.000 0.503 756 I N -2.543 118.049 120.570 0.037 0.000 3.279 756 I HA 0.741 4.891 4.170 -0.033 0.000 0.315 756 I C -1.314 174.830 176.117 0.045 0.000 1.187 756 I CA -1.039 60.276 61.300 0.026 0.000 0.953 756 I CB 1.537 39.538 38.000 0.001 0.000 1.279 756 I HN 0.481 nan 8.210 nan 0.000 0.465 757 C N 2.491 121.810 119.300 0.032 0.000 2.365 757 C HA 0.965 5.405 4.460 -0.033 0.000 0.351 757 C C 0.367 175.369 174.990 0.020 0.000 1.240 757 C CA 0.069 59.107 59.018 0.032 0.000 2.062 757 C CB 0.378 28.133 27.740 0.025 0.000 2.387 757 C HN 0.933 nan 8.230 nan 0.000 0.537 758 A N 2.129 124.957 122.820 0.014 0.000 2.604 758 A HA 0.709 5.010 4.320 -0.033 0.000 0.295 758 A C -1.427 176.136 177.584 -0.035 0.000 1.067 758 A CA -0.339 51.693 52.037 -0.008 0.000 0.683 758 A CB 0.755 19.757 19.000 0.003 0.000 1.281 758 A HN 0.640 nan 8.150 nan 0.000 0.407 759 V N 2.737 122.620 119.914 -0.052 0.000 2.383 759 V HA 0.547 4.647 4.120 -0.033 0.000 0.275 759 V C 0.013 176.045 176.094 -0.103 0.000 1.036 759 V CA -0.122 62.132 62.300 -0.076 0.000 0.889 759 V CB 0.726 32.502 31.823 -0.078 0.000 0.985 759 V HN 0.803 nan 8.190 nan 0.000 0.459 760 I N 3.353 123.843 120.570 -0.134 0.000 2.509 760 I HA 0.724 4.874 4.170 -0.033 0.000 0.293 760 I C -2.890 173.136 176.117 -0.152 0.000 1.020 760 I CA -2.842 58.362 61.300 -0.160 0.000 1.088 760 I CB 2.632 40.486 38.000 -0.244 0.000 1.267 760 I HN 0.335 nan 8.210 nan 0.000 0.430 761 P HA 0.442 nan 4.420 nan 0.000 0.282 761 P C -0.739 176.503 177.300 -0.096 0.000 1.262 761 P CA -0.120 62.909 63.100 -0.119 0.000 0.773 761 P CB 0.833 32.465 31.700 -0.114 0.000 0.879 762 I N -0.664 119.863 120.570 -0.072 0.000 3.174 762 I HA 0.755 4.906 4.170 -0.033 0.000 0.313 762 I C -0.122 175.978 176.117 -0.027 0.000 1.155 762 I CA -1.018 60.247 61.300 -0.060 0.000 0.977 762 I CB 2.440 40.394 38.000 -0.077 0.000 1.248 762 I HN 0.247 nan 8.210 nan 0.000 0.453 763 T N -0.217 114.323 114.554 -0.024 0.000 2.910 763 T HA 0.495 4.825 4.350 -0.033 0.000 0.279 763 T C 0.795 175.500 174.700 0.008 0.000 0.989 763 T CA -0.820 61.279 62.100 -0.002 0.000 0.968 763 T CB 1.258 70.123 68.868 -0.005 0.000 1.135 763 T HN 0.659 nan 8.240 nan 0.000 0.562 764 L N 0.185 121.437 121.223 0.048 0.000 2.478 764 L HA 0.069 4.390 4.340 -0.033 0.000 0.223 764 L C 1.922 178.816 176.870 0.040 0.000 1.140 764 L CA 0.560 55.444 54.840 0.073 0.000 0.842 764 L CB -0.462 41.684 42.059 0.144 0.000 0.953 764 L HN 0.651 nan 8.230 nan 0.000 0.452 765 D N -0.368 120.017 120.400 -0.024 0.000 2.183 765 D HA -0.096 4.524 4.640 -0.033 0.000 0.203 765 D C 2.087 178.331 176.300 -0.094 0.000 0.969 765 D CA 1.026 54.945 54.000 -0.136 0.000 0.842 765 D CB 0.201 40.936 40.800 -0.108 0.000 0.957 765 D HN 0.147 nan 8.370 nan 0.000 0.484 766 S N 0.031 115.696 115.700 -0.059 0.000 2.603 766 S HA 0.121 4.572 4.470 -0.033 0.000 0.220 766 S C 1.036 175.595 174.600 -0.068 0.000 0.967 766 S CA -0.098 58.070 58.200 -0.054 0.000 0.920 766 S CB 0.380 63.554 63.200 -0.044 0.000 0.773 766 S HN 0.216 nan 8.310 nan 0.000 0.529 767 I N 2.269 122.797 120.570 -0.070 0.000 2.308 767 I HA 0.160 4.310 4.170 -0.033 0.000 0.293 767 I C 1.282 177.337 176.117 -0.103 0.000 1.078 767 I CA -0.194 61.055 61.300 -0.086 0.000 1.292 767 I CB 0.980 38.945 38.000 -0.058 0.000 1.423 767 I HN 0.048 nan 8.210 nan 0.000 0.493 768 K N 3.875 124.187 120.400 -0.147 0.000 2.116 768 K HA -0.019 4.281 4.320 -0.033 0.000 0.203 768 K C 0.386 176.904 176.600 -0.137 0.000 1.052 768 K CA 0.797 56.998 56.287 -0.143 0.000 0.952 768 K CB 0.348 32.742 32.500 -0.177 0.000 0.729 768 K HN 0.780 nan 8.250 nan 0.000 0.446 769 S N -0.852 114.735 115.700 -0.189 0.000 2.567 769 S HA 0.428 4.878 4.470 -0.033 0.000 0.270 769 S C -0.855 173.703 174.600 -0.069 0.000 1.152 769 S CA -1.142 56.992 58.200 -0.111 0.000 0.835 769 S CB 1.171 64.326 63.200 -0.076 0.000 1.115 769 S HN 0.070 nan 8.310 nan 0.000 0.459 770 I N 1.680 122.280 120.570 0.049 0.000 2.404 770 I HA 0.623 4.773 4.170 -0.033 0.000 0.293 770 I C 0.885 177.131 176.117 0.215 0.000 0.992 770 I CA -0.727 60.646 61.300 0.121 0.000 1.149 770 I CB 1.754 39.776 38.000 0.036 0.000 1.315 770 I HN 0.927 nan 8.210 nan 0.000 0.446 771 G N 2.437 111.430 108.800 0.323 0.000 2.451 771 G HA2 0.096 4.036 3.960 -0.033 0.000 0.303 771 G HA3 0.096 4.036 3.960 -0.033 0.000 0.303 771 G C 0.115 175.012 174.900 -0.005 0.000 1.166 771 G CA -0.366 44.805 45.100 0.119 0.000 0.884 771 G HN 0.629 nan 8.290 nan 0.000 0.514 772 N N 0.045 118.683 118.700 -0.103 0.000 2.466 772 N HA 0.195 4.915 4.740 -0.033 0.000 0.251 772 N C -0.434 175.026 175.510 -0.083 0.000 1.164 772 N CA -0.050 52.954 53.050 -0.077 0.000 0.888 772 N CB -0.629 37.804 38.487 -0.090 0.000 1.177 772 N HN 0.349 nan 8.380 nan 0.000 0.498 773 L N -0.244 120.933 121.223 -0.076 0.000 2.415 773 L HA 0.576 4.897 4.340 -0.033 0.000 0.256 773 L C -0.334 176.544 176.870 0.014 0.000 1.010 773 L CA -0.914 53.897 54.840 -0.049 0.000 0.826 773 L CB 2.443 44.427 42.059 -0.125 0.000 1.405 773 L HN -0.124 nan 8.230 nan 0.000 0.410 774 R N 2.410 122.934 120.500 0.040 0.000 2.510 774 R HA 0.537 4.857 4.340 -0.033 0.000 0.294 774 R C -1.268 175.077 176.300 0.075 0.000 1.056 774 R CA -0.778 55.359 56.100 0.063 0.000 0.918 774 R CB 1.994 32.337 30.300 0.072 0.000 1.187 774 R HN 0.342 nan 8.270 nan 0.000 0.437 775 L N 0.355 121.625 121.223 0.078 0.000 2.400 775 L HA 0.498 4.818 4.340 -0.033 0.000 0.264 775 L C -0.128 176.822 176.870 0.133 0.000 1.061 775 L CA -0.819 54.083 54.840 0.104 0.000 0.799 775 L CB -0.066 42.048 42.059 0.092 0.000 1.240 775 L HN 0.635 nan 8.230 nan 0.000 0.461 776 Y N 1.488 121.805 120.300 0.029 0.000 2.569 776 Y HA 0.231 4.762 4.550 -0.032 0.000 0.332 776 Y C 0.009 175.923 175.900 0.024 0.000 1.120 776 Y CA -0.080 58.034 58.100 0.024 0.000 1.416 776 Y CB 0.653 39.124 38.460 0.019 0.000 1.210 776 Y HN 0.509 nan 8.280 nan 0.000 0.528 777 M N 9.539 128.816 119.600 -0.538 0.000 2.047 777 M HA 0.301 4.762 4.480 -0.033 0.000 0.342 777 M C -2.424 173.425 176.300 -0.750 0.000 1.058 777 M CA -2.530 52.481 55.300 -0.482 0.000 0.991 777 M CB 0.760 33.231 32.600 -0.216 0.000 1.474 777 M HN 0.523 nan 8.290 nan 0.000 0.419 778 P HA 0.094 nan 4.420 nan 0.000 0.261 778 P C 0.720 177.887 177.300 -0.222 0.000 1.183 778 P CA 0.370 63.230 63.100 -0.401 0.000 0.761 778 P CB 0.321 31.921 31.700 -0.167 0.000 0.785 779 K N 1.568 121.883 120.400 -0.141 0.000 2.362 779 K HA -0.032 4.268 4.320 -0.033 0.000 0.200 779 K C 1.166 177.737 176.600 -0.048 0.000 1.046 779 K CA 1.860 58.103 56.287 -0.073 0.000 0.952 779 K CB -1.462 31.023 32.500 -0.024 0.000 0.753 779 K HN 0.668 nan 8.250 nan 0.000 0.466 780 D N 1.379 121.756 120.400 -0.039 0.000 2.885 780 D HA 0.478 5.098 4.640 -0.033 0.000 0.234 780 D C 0.881 177.162 176.300 -0.032 0.000 1.129 780 D CA 0.294 54.281 54.000 -0.021 0.000 0.991 780 D CB -1.713 39.087 40.800 -0.001 0.000 1.137 780 D HN 0.924 nan 8.370 nan 0.000 0.459 781 I N -3.584 116.961 120.570 -0.041 0.000 4.909 781 I HA -0.361 3.790 4.170 -0.033 0.000 0.038 781 I C 0.568 176.659 176.117 -0.042 0.000 0.635 781 I CA 1.499 62.773 61.300 -0.042 0.000 0.209 781 I CB -0.446 37.536 38.000 -0.031 0.000 0.322 781 I HN 0.466 nan 8.210 nan 0.000 0.152 782 R N 2.500 122.979 120.500 -0.035 0.000 2.363 782 R HA 0.804 5.124 4.340 -0.033 0.000 0.297 782 R C -1.018 175.270 176.300 -0.020 0.000 1.208 782 R CA -0.038 56.044 56.100 -0.029 0.000 1.121 782 R CB 1.383 31.663 30.300 -0.034 0.000 1.124 782 R HN 1.042 nan 8.270 nan 0.000 0.561 783 A N 2.065 124.877 122.820 -0.014 0.000 2.605 783 A HA 0.363 4.663 4.320 -0.033 0.000 0.293 783 A C 0.314 177.896 177.584 -0.003 0.000 1.216 783 A CA -0.491 51.541 52.037 -0.008 0.000 0.742 783 A CB 1.038 20.034 19.000 -0.006 0.000 1.170 783 A HN 0.818 nan 8.150 nan 0.000 0.443 784 S N 1.839 117.537 115.700 -0.003 0.000 3.524 784 S HA 0.016 4.466 4.470 -0.033 0.000 0.377 784 S C 1.348 175.950 174.600 0.003 0.000 0.949 784 S CA 1.791 59.991 58.200 -0.001 0.000 1.264 784 S CB -1.280 61.920 63.200 0.000 0.000 0.918 784 S HN 2.944 nan 8.310 nan 0.000 0.517 785 G N 0.396 109.197 108.800 0.003 0.000 2.148 785 G HA2 -0.212 3.728 3.960 -0.033 0.000 0.203 785 G HA3 -0.212 3.728 3.960 -0.033 0.000 0.203 785 G C 0.400 175.306 174.900 0.011 0.000 0.993 785 G CA 0.588 45.693 45.100 0.007 0.000 0.661 785 G HN 0.591 nan 8.290 nan 0.000 0.518 786 Q N 0.489 120.293 119.800 0.005 0.000 2.033 786 Q HA 0.001 4.322 4.340 -0.033 0.000 0.196 786 Q C 2.606 178.607 176.000 0.001 0.000 0.970 786 Q CA 1.856 57.662 55.803 0.005 0.000 0.828 786 Q CB -0.325 28.409 28.738 -0.007 0.000 0.895 786 Q HN 0.858 nan 8.270 nan 0.000 0.440 787 K N 0.388 120.784 120.400 -0.006 0.000 2.288 787 K HA -0.072 4.228 4.320 -0.033 0.000 0.201 787 K C 1.429 178.034 176.600 0.009 0.000 1.048 787 K CA 1.077 57.360 56.287 -0.006 0.000 0.956 787 K CB 0.001 32.493 32.500 -0.013 0.000 0.746 787 K HN -0.044 nan 8.250 nan 0.000 0.461 788 E N 1.231 121.439 120.200 0.012 0.000 2.268 788 E HA -0.121 4.209 4.350 -0.033 0.000 0.195 788 E C 1.962 178.578 176.600 0.027 0.000 0.995 788 E CA 1.780 58.192 56.400 0.020 0.000 0.836 788 E CB -0.213 29.497 29.700 0.016 0.000 0.763 788 E HN 0.636 nan 8.360 nan 0.000 0.491 789 T N -2.424 112.148 114.554 0.030 0.000 3.023 789 T HA -0.014 4.317 4.350 -0.033 0.000 0.266 789 T C 1.908 176.638 174.700 0.050 0.000 1.093 789 T CA 0.590 62.716 62.100 0.044 0.000 1.129 789 T CB -0.237 68.665 68.868 0.057 0.000 0.899 789 T HN -0.010 nan 8.240 nan 0.000 0.491 790 V N 1.730 121.666 119.914 0.036 0.000 2.453 790 V HA 0.115 4.215 4.120 -0.033 0.000 0.247 790 V C 3.085 179.207 176.094 0.047 0.000 1.048 790 V CA 1.553 63.875 62.300 0.037 0.000 1.049 790 V CB -1.343 30.487 31.823 0.012 0.000 0.672 790 V HN 0.649 nan 8.190 nan 0.000 0.457 791 G N 0.170 108.995 108.800 0.043 0.000 2.432 791 G HA2 -0.327 3.614 3.960 -0.033 0.000 0.219 791 G HA3 -0.327 3.614 3.960 -0.033 0.000 0.219 791 G C 1.573 176.504 174.900 0.052 0.000 1.135 791 G CA 1.246 46.376 45.100 0.051 0.000 0.767 791 G HN 0.480 nan 8.290 nan 0.000 0.550 792 K N 1.135 121.563 120.400 0.047 0.000 2.002 792 K HA -0.033 4.267 4.320 -0.033 0.000 0.209 792 K C 2.713 179.343 176.600 0.050 0.000 1.048 792 K CA 1.831 58.145 56.287 0.045 0.000 0.930 792 K CB -0.609 31.917 32.500 0.042 0.000 0.714 792 K HN 0.192 nan 8.250 nan 0.000 0.438 793 S N 0.702 116.437 115.700 0.058 0.000 2.400 793 S HA -0.091 4.359 4.470 -0.033 0.000 0.232 793 S C 1.823 176.462 174.600 0.063 0.000 1.025 793 S CA 1.287 59.526 58.200 0.064 0.000 0.993 793 S CB -0.328 62.919 63.200 0.079 0.000 0.808 793 S HN 0.236 nan 8.310 nan 0.000 0.478 794 L N 0.824 122.088 121.223 0.067 0.000 2.017 794 L HA -0.115 4.206 4.340 -0.033 0.000 0.208 794 L C 2.758 179.670 176.870 0.071 0.000 1.073 794 L CA 1.346 56.232 54.840 0.077 0.000 0.745 794 L CB -0.371 41.743 42.059 0.092 0.000 0.894 794 L HN 0.217 nan 8.230 nan 0.000 0.432 795 R N -0.584 119.953 120.500 0.063 0.000 2.105 795 R HA -0.158 4.163 4.340 -0.033 0.000 0.239 795 R C 2.371 178.698 176.300 0.044 0.000 1.135 795 R CA 1.672 57.805 56.100 0.054 0.000 0.967 795 R CB -0.275 30.053 30.300 0.046 0.000 0.861 795 R HN 0.265 nan 8.270 nan 0.000 0.442 796 E N -0.116 120.108 120.200 0.041 0.000 2.072 796 E HA -0.098 4.233 4.350 -0.033 0.000 0.191 796 E C 2.140 178.761 176.600 0.035 0.000 0.985 796 E CA 1.143 57.561 56.400 0.029 0.000 0.801 796 E CB -0.524 29.193 29.700 0.028 0.000 0.750 796 E HN 0.207 nan 8.360 nan 0.000 0.452 797 V N 2.433 122.382 119.914 0.058 0.000 2.343 797 V HA -0.248 3.853 4.120 -0.033 0.000 0.247 797 V C 2.108 178.265 176.094 0.107 0.000 1.051 797 V CA 1.817 64.175 62.300 0.098 0.000 1.036 797 V CB -0.605 31.259 31.823 0.070 0.000 0.654 797 V HN 0.439 nan 8.190 nan 0.000 0.451 798 N N 0.068 118.802 118.700 0.056 0.000 2.443 798 N HA -0.161 4.560 4.740 -0.033 0.000 0.184 798 N C 1.945 177.484 175.510 0.047 0.000 1.037 798 N CA 1.643 54.722 53.050 0.049 0.000 0.896 798 N CB -0.058 38.464 38.487 0.057 0.000 0.959 798 N HN 0.635 nan 8.380 nan 0.000 0.442 799 R N 1.304 121.820 120.500 0.027 0.000 2.156 799 R HA 0.125 4.445 4.340 -0.033 0.000 0.207 799 R C 2.063 178.327 176.300 -0.060 0.000 1.040 799 R CA 0.790 56.886 56.100 -0.006 0.000 1.013 799 R CB -0.867 29.428 30.300 -0.008 0.000 0.931 799 R HN 0.200 nan 8.270 nan 0.000 0.465 800 R N -1.027 119.417 120.500 -0.093 0.000 2.115 800 R HA 0.058 4.378 4.340 -0.033 0.000 0.230 800 R C -0.369 175.597 176.300 -0.558 0.000 1.111 800 R CA 1.177 57.088 56.100 -0.315 0.000 0.976 800 R CB -0.031 30.065 30.300 -0.340 0.000 0.870 800 R HN 0.413 nan 8.270 nan 0.000 0.445 801 F N 0.345 120.255 119.950 -0.067 0.000 2.449 801 F HA 0.388 4.896 4.527 -0.032 0.000 0.329 801 F C -1.878 173.886 175.800 -0.061 0.000 1.245 801 F CA -2.507 55.448 58.000 -0.075 0.000 1.193 801 F CB 1.794 40.721 39.000 -0.121 0.000 1.425 801 F HN -0.052 nan 8.300 nan 0.000 0.544 802 P HA -0.136 nan 4.420 nan 0.000 0.215 802 P C 1.635 178.970 177.300 0.057 0.000 1.153 802 P CA 2.193 65.318 63.100 0.042 0.000 0.853 802 P CB 0.090 31.796 31.700 0.010 0.000 0.788 803 D N -0.533 119.904 120.400 0.063 0.000 2.097 803 D HA 0.130 4.751 4.640 -0.033 0.000 0.195 803 D C 1.188 177.528 176.300 0.067 0.000 0.989 803 D CA 1.594 55.630 54.000 0.060 0.000 0.827 803 D CB -0.621 40.213 40.800 0.057 0.000 0.966 803 D HN 0.412 nan 8.370 nan 0.000 0.456 804 G N -2.098 106.747 108.800 0.075 0.000 2.466 804 G HA2 0.452 4.392 3.960 -0.033 0.000 0.291 804 G HA3 0.452 4.392 3.960 -0.033 0.000 0.291 804 G C -1.498 173.362 174.900 -0.066 0.000 1.460 804 G CA -0.469 44.655 45.100 0.039 0.000 0.791 804 G HN 0.249 nan 8.290 nan 0.000 0.505 805 I N 1.306 121.737 120.570 -0.231 0.000 2.365 805 I HA 0.287 4.438 4.170 -0.033 0.000 0.291 805 I C -1.996 173.847 176.117 -0.456 0.000 1.004 805 I CA -1.908 59.023 61.300 -0.615 0.000 1.311 805 I CB 1.012 38.174 38.000 -1.396 0.000 1.401 805 I HN 0.128 nan 8.210 nan 0.000 0.491 806 P HA 0.086 nan 4.420 nan 0.000 0.262 806 P C -0.336 176.845 177.300 -0.198 0.000 1.199 806 P CA 0.008 62.908 63.100 -0.333 0.000 0.763 806 P CB 0.502 31.948 31.700 -0.424 0.000 0.790 807 V N 5.581 125.460 119.914 -0.059 0.000 2.481 807 V HA 0.151 4.251 4.120 -0.033 0.000 0.286 807 V C 0.706 176.784 176.094 -0.028 0.000 1.042 807 V CA -0.730 61.583 62.300 0.021 0.000 0.928 807 V CB 1.093 32.960 31.823 0.075 0.000 0.986 807 V HN 0.431 nan 8.190 nan 0.000 0.462 808 L N 3.922 125.119 121.223 -0.044 0.000 2.540 808 L HA 0.054 4.375 4.340 -0.033 0.000 0.276 808 L C 0.520 177.335 176.870 -0.092 0.000 1.212 808 L CA 0.156 54.934 54.840 -0.105 0.000 0.893 808 L CB 0.121 42.058 42.059 -0.205 0.000 1.138 808 L HN 0.649 nan 8.230 nan 0.000 0.491 809 D N 5.826 126.177 120.400 -0.081 0.000 2.371 809 D HA 0.096 4.717 4.640 -0.033 0.000 0.256 809 D C -1.525 174.734 176.300 -0.069 0.000 1.193 809 D CA -1.829 52.143 54.000 -0.047 0.000 0.881 809 D CB 1.420 42.204 40.800 -0.026 0.000 1.143 809 D HN 0.178 nan 8.370 nan 0.000 0.473 810 P HA -0.177 nan 4.420 nan 0.000 0.216 810 P C 1.261 178.557 177.300 -0.007 0.000 1.150 810 P CA 0.694 63.786 63.100 -0.015 0.000 0.843 810 P CB 0.367 32.186 31.700 0.199 0.000 0.787 811 V N -0.554 119.399 119.914 0.066 0.000 2.426 811 V HA -0.052 4.049 4.120 -0.033 0.000 0.242 811 V C 2.103 178.209 176.094 0.020 0.000 1.036 811 V CA 1.504 63.844 62.300 0.067 0.000 1.044 811 V CB -0.730 31.153 31.823 0.100 0.000 0.688 811 V HN 0.065 nan 8.190 nan 0.000 0.462 812 K N 0.014 120.418 120.400 0.007 0.000 2.365 812 K HA 0.049 4.350 4.320 -0.033 0.000 0.197 812 K C 1.364 177.962 176.600 -0.003 0.000 1.042 812 K CA 1.012 57.302 56.287 0.004 0.000 0.987 812 K CB 0.047 32.550 32.500 0.004 0.000 0.779 812 K HN 0.522 nan 8.250 nan 0.000 0.484 813 N N -0.217 118.456 118.700 -0.045 0.000 2.606 813 N HA 0.123 4.843 4.740 -0.033 0.000 0.208 813 N C 1.452 176.897 175.510 -0.108 0.000 1.046 813 N CA 0.180 53.190 53.050 -0.066 0.000 0.891 813 N CB 0.332 38.737 38.487 -0.136 0.000 1.344 813 N HN -0.075 nan 8.380 nan 0.000 0.437 814 M N 0.600 120.033 119.600 -0.279 0.000 2.506 814 M HA 0.173 4.633 4.480 -0.033 0.000 0.260 814 M C -0.282 176.023 176.300 0.008 0.000 1.104 814 M CA 0.586 55.692 55.300 -0.323 0.000 1.112 814 M CB 0.326 32.634 32.600 -0.487 0.000 1.401 814 M HN -0.095 nan 8.290 nan 0.000 0.473 815 K N 1.109 121.503 120.400 -0.009 0.000 3.125 815 K HA -0.127 4.173 4.320 -0.033 0.000 0.268 815 K C -0.794 175.789 176.600 -0.029 0.000 1.078 815 K CA 0.653 56.949 56.287 0.014 0.000 0.775 815 K CB -2.594 29.940 32.500 0.057 0.000 1.253 815 K HN 0.459 nan 8.250 nan 0.000 0.486 816 I N 1.302 121.815 120.570 -0.096 0.000 2.308 816 I HA 0.059 4.209 4.170 -0.033 0.000 0.293 816 I C 1.008 177.087 176.117 -0.064 0.000 1.078 816 I CA 0.232 61.401 61.300 -0.218 0.000 1.292 816 I CB 0.356 37.996 38.000 -0.600 0.000 1.423 816 I HN 0.094 nan 8.210 nan 0.000 0.493 817 E N 3.287 123.483 120.200 -0.006 0.000 2.876 817 E HA 0.114 4.444 4.350 -0.033 0.000 0.208 817 E C -0.793 175.856 176.600 0.081 0.000 0.981 817 E CA -0.474 55.976 56.400 0.084 0.000 1.174 817 E CB 0.571 30.301 29.700 0.050 0.000 1.047 817 E HN 0.564 nan 8.360 nan 0.000 0.477 818 D N 1.882 122.323 120.400 0.068 0.000 2.506 818 D HA -0.056 4.565 4.640 -0.033 0.000 0.234 818 D C 1.544 177.900 176.300 0.093 0.000 1.143 818 D CA 0.805 54.843 54.000 0.063 0.000 0.871 818 D CB 0.703 41.531 40.800 0.047 0.000 1.190 818 D HN 0.369 nan 8.370 nan 0.000 0.459 819 E N 1.636 121.866 120.200 0.050 0.000 2.130 819 E HA -0.229 4.101 4.350 -0.033 0.000 0.196 819 E C 1.771 178.391 176.600 0.034 0.000 0.998 819 E CA 2.282 58.702 56.400 0.033 0.000 0.806 819 E CB -1.267 28.443 29.700 0.016 0.000 0.738 819 E HN 0.718 nan 8.360 nan 0.000 0.459 820 D N -1.078 119.352 120.400 0.050 0.000 2.183 820 D HA 0.084 4.704 4.640 -0.033 0.000 0.203 820 D C 1.837 178.174 176.300 0.062 0.000 0.969 820 D CA 1.122 55.147 54.000 0.042 0.000 0.842 820 D CB -0.517 40.312 40.800 0.047 0.000 0.957 820 D HN 0.485 nan 8.370 nan 0.000 0.484 821 F N 0.527 120.455 119.950 -0.038 0.000 2.259 821 F HA 0.148 4.656 4.527 -0.032 0.000 0.298 821 F C 2.104 177.875 175.800 -0.050 0.000 1.088 821 F CA 0.793 58.769 58.000 -0.040 0.000 1.358 821 F CB 0.042 39.021 39.000 -0.034 0.000 1.040 821 F HN 0.084 nan 8.300 nan 0.000 0.505 822 L N -0.128 121.081 121.223 -0.023 0.000 2.109 822 L HA -0.148 4.173 4.340 -0.033 0.000 0.207 822 L C 2.317 179.088 176.870 -0.164 0.000 1.086 822 L CA 1.071 55.844 54.840 -0.111 0.000 0.760 822 L CB -0.671 41.384 42.059 -0.006 0.000 0.910 822 L HN 0.033 nan 8.230 nan 0.000 0.437 823 K N 0.068 120.394 120.400 -0.124 0.000 2.103 823 K HA -0.218 4.082 4.320 -0.033 0.000 0.207 823 K C 2.022 178.486 176.600 -0.227 0.000 1.048 823 K CA 1.227 57.431 56.287 -0.139 0.000 0.930 823 K CB -0.216 32.227 32.500 -0.094 0.000 0.716 823 K HN 0.091 nan 8.250 nan 0.000 0.444 824 L N 0.775 121.830 121.223 -0.281 0.000 2.027 824 L HA -0.084 4.236 4.340 -0.033 0.000 0.206 824 L C 1.974 178.582 176.870 -0.437 0.000 1.074 824 L CA 1.652 56.263 54.840 -0.382 0.000 0.745 824 L CB -0.280 41.575 42.059 -0.341 0.000 0.898 824 L HN 0.141 nan 8.230 nan 0.000 0.433 825 M N -0.740 118.567 119.600 -0.489 0.000 2.539 825 M HA -0.154 4.306 4.480 -0.033 0.000 0.261 825 M C 1.851 177.996 176.300 -0.259 0.000 1.069 825 M CA 1.347 56.403 55.300 -0.407 0.000 1.081 825 M CB -0.760 31.570 32.600 -0.451 0.000 1.412 825 M HN 0.322 nan 8.290 nan 0.000 0.482 826 K N -0.518 119.737 120.400 -0.242 0.000 2.334 826 K HA 0.044 4.344 4.320 -0.033 0.000 0.195 826 K C 1.812 178.300 176.600 -0.187 0.000 1.045 826 K CA 0.201 56.383 56.287 -0.175 0.000 1.004 826 K CB 0.386 32.804 32.500 -0.136 0.000 0.837 826 K HN 0.242 nan 8.250 nan 0.000 0.510 827 K N 0.879 121.112 120.400 -0.279 0.000 2.148 827 K HA -0.023 4.277 4.320 -0.033 0.000 0.204 827 K C 1.863 178.317 176.600 -0.243 0.000 1.050 827 K CA 0.989 57.081 56.287 -0.326 0.000 0.942 827 K CB 0.013 32.124 32.500 -0.648 0.000 0.724 827 K HN 0.097 nan 8.250 nan 0.000 0.446 828 I N 1.199 121.631 120.570 -0.229 0.000 2.233 828 I HA -0.248 3.902 4.170 -0.033 0.000 0.243 828 I C 1.710 177.787 176.117 -0.067 0.000 1.093 828 I CA 1.168 62.412 61.300 -0.093 0.000 1.380 828 I CB -0.200 37.746 38.000 -0.090 0.000 1.067 828 I HN 0.082 nan 8.210 nan 0.000 0.413 829 D N 0.553 120.901 120.400 -0.087 0.000 2.117 829 D HA -0.156 4.465 4.640 -0.033 0.000 0.197 829 D C 2.308 178.576 176.300 -0.053 0.000 0.987 829 D CA 1.023 54.985 54.000 -0.064 0.000 0.829 829 D CB -0.348 40.412 40.800 -0.067 0.000 0.961 829 D HN 0.055 nan 8.370 nan 0.000 0.460 830 V N 0.652 120.529 119.914 -0.062 0.000 2.453 830 V HA -0.229 3.872 4.120 -0.033 0.000 0.252 830 V C 2.337 178.412 176.094 -0.032 0.000 1.068 830 V CA 1.264 63.536 62.300 -0.047 0.000 1.070 830 V CB -0.217 31.573 31.823 -0.054 0.000 0.664 830 V HN 0.229 nan 8.190 nan 0.000 0.461 831 L N -1.023 120.184 121.223 -0.027 0.000 2.145 831 L HA -0.005 4.316 4.340 -0.033 0.000 0.201 831 L C 2.295 179.140 176.870 -0.040 0.000 1.075 831 L CA 0.942 55.769 54.840 -0.022 0.000 0.773 831 L CB -0.774 41.289 42.059 0.006 0.000 0.936 831 L HN 0.243 nan 8.230 nan 0.000 0.451 832 N N 0.054 118.730 118.700 -0.040 0.000 2.322 832 N HA -0.182 4.539 4.740 -0.033 0.000 0.189 832 N C 1.851 177.341 175.510 -0.034 0.000 1.012 832 N CA 1.998 55.022 53.050 -0.043 0.000 0.880 832 N CB -0.158 38.307 38.487 -0.037 0.000 0.967 832 N HN 0.513 nan 8.380 nan 0.000 0.439 833 T N -2.445 112.092 114.554 -0.028 0.000 2.953 833 T HA 0.034 4.365 4.350 -0.033 0.000 0.247 833 T C 1.834 176.526 174.700 -0.014 0.000 1.029 833 T CA 0.708 62.797 62.100 -0.018 0.000 1.144 833 T CB -0.092 68.766 68.868 -0.018 0.000 0.870 833 T HN 0.049 nan 8.240 nan 0.000 0.446 834 K N 0.323 120.711 120.400 -0.019 0.000 2.160 834 K HA -0.109 4.191 4.320 -0.033 0.000 0.206 834 K C 2.192 178.785 176.600 -0.012 0.000 1.047 834 K CA 1.344 57.622 56.287 -0.014 0.000 0.930 834 K CB -0.351 32.138 32.500 -0.018 0.000 0.720 834 K HN 0.313 nan 8.250 nan 0.000 0.450 835 L N 0.903 122.104 121.223 -0.037 0.000 2.044 835 L HA -0.079 4.241 4.340 -0.033 0.000 0.205 835 L C 1.766 178.659 176.870 0.038 0.000 1.075 835 L CA 1.950 56.759 54.840 -0.052 0.000 0.747 835 L CB -0.457 41.509 42.059 -0.155 0.000 0.903 835 L HN 0.250 nan 8.230 nan 0.000 0.435 836 S N -1.939 113.774 115.700 0.021 0.000 2.906 836 S HA 0.034 4.484 4.470 -0.033 0.000 0.234 836 S C 1.114 175.734 174.600 0.033 0.000 0.973 836 S CA 0.316 58.539 58.200 0.039 0.000 1.036 836 S CB -0.803 62.408 63.200 0.018 0.000 0.798 836 S HN 0.545 nan 8.310 nan 0.000 0.498 837 S N -1.012 114.711 115.700 0.038 0.000 2.733 837 S HA 0.315 4.766 4.470 -0.033 0.000 0.247 837 S C -0.128 174.497 174.600 0.041 0.000 1.043 837 S CA -0.649 57.568 58.200 0.029 0.000 1.066 837 S CB -0.370 62.840 63.200 0.016 0.000 1.045 837 S HN 0.362 nan 8.310 nan 0.000 0.586 838 N N 3.136 121.880 118.700 0.074 0.000 2.529 838 N HA 0.444 5.164 4.740 -0.033 0.000 0.278 838 N C -2.121 173.420 175.510 0.052 0.000 1.146 838 N CA -1.865 51.238 53.050 0.089 0.000 0.980 838 N CB 1.215 39.822 38.487 0.200 0.000 1.124 838 N HN -0.047 nan 8.380 nan 0.000 0.458 839 P HA -0.028 nan 4.420 nan 0.000 0.230 839 P C 1.013 178.286 177.300 -0.044 0.000 1.158 839 P CA 0.776 63.870 63.100 -0.010 0.000 0.769 839 P CB 0.089 31.780 31.700 -0.014 0.000 0.807 840 L N -1.958 119.219 121.223 -0.077 0.000 2.307 840 L HA 0.087 4.408 4.340 -0.033 0.000 0.211 840 L C 2.436 179.145 176.870 -0.268 0.000 1.099 840 L CA 1.984 56.695 54.840 -0.214 0.000 0.816 840 L CB -2.084 39.755 42.059 -0.368 0.000 0.952 840 L HN -0.009 nan 8.230 nan 0.000 0.455 841 T N 1.433 115.917 114.554 -0.116 0.000 2.708 841 T HA -0.161 4.169 4.350 -0.033 0.000 0.266 841 T C 1.863 176.544 174.700 -0.032 0.000 1.037 841 T CA 2.012 64.107 62.100 -0.009 0.000 1.146 841 T CB -0.408 68.552 68.868 0.152 0.000 0.865 841 T HN 0.899 nan 8.240 nan 0.000 0.435 842 N N 1.008 119.694 118.700 -0.024 0.000 2.416 842 N HA 0.100 4.820 4.740 -0.033 0.000 0.177 842 N C 0.968 176.455 175.510 -0.038 0.000 1.036 842 N CA 0.073 53.110 53.050 -0.022 0.000 0.901 842 N CB -0.411 38.070 38.487 -0.010 0.000 0.976 842 N HN 0.237 nan 8.380 nan 0.000 0.444 843 S N -0.000 115.665 115.700 -0.058 0.000 2.576 843 S HA 0.140 4.590 4.470 -0.033 0.000 0.272 843 S C 0.479 175.043 174.600 -0.060 0.000 1.352 843 S CA -0.499 57.665 58.200 -0.060 0.000 1.021 843 S CB 0.163 63.317 63.200 -0.076 0.000 0.887 843 S HN 0.100 nan 8.310 nan 0.000 0.542 844 M N 2.576 122.148 119.600 -0.046 0.000 2.245 844 M HA 0.396 4.856 4.480 -0.033 0.000 0.292 844 M C 1.147 177.421 176.300 -0.043 0.000 1.176 844 M CA -0.059 55.217 55.300 -0.039 0.000 1.035 844 M CB -0.117 32.467 32.600 -0.027 0.000 1.440 844 M HN 0.865 nan 8.290 nan 0.000 0.494 845 R N -0.839 119.641 120.500 -0.032 0.000 3.946 845 R HA -0.218 4.103 4.340 -0.033 0.000 0.329 845 R C 0.894 177.175 176.300 -0.031 0.000 1.209 845 R CA 0.309 56.394 56.100 -0.025 0.000 0.909 845 R CB -2.213 28.073 30.300 -0.023 0.000 1.355 845 R HN 0.543 nan 8.270 nan 0.000 0.539 846 L N 1.235 122.426 121.223 -0.053 0.000 2.056 846 L HA -0.059 4.261 4.340 -0.033 0.000 0.207 846 L C 2.032 178.897 176.870 -0.009 0.000 1.078 846 L CA 2.361 57.154 54.840 -0.080 0.000 0.749 846 L CB -0.241 41.723 42.059 -0.158 0.000 0.901 846 L HN 0.102 nan 8.230 nan 0.000 0.433 847 E N -0.567 119.632 120.200 -0.002 0.000 2.515 847 E HA -0.211 4.120 4.350 -0.033 0.000 0.201 847 E C 1.915 178.558 176.600 0.072 0.000 1.071 847 E CA 0.847 57.271 56.400 0.040 0.000 0.880 847 E CB 0.014 29.725 29.700 0.017 0.000 0.828 847 E HN 0.710 nan 8.360 nan 0.000 0.540 848 E N -0.873 119.358 120.200 0.051 0.000 2.256 848 E HA 0.020 4.351 4.350 -0.033 0.000 0.198 848 E C 1.663 178.296 176.600 0.055 0.000 0.908 848 E CA 0.029 56.456 56.400 0.045 0.000 0.915 848 E CB 0.028 29.739 29.700 0.018 0.000 0.890 848 E HN 0.275 nan 8.360 nan 0.000 0.484 849 L N 0.546 121.799 121.223 0.049 0.000 2.291 849 L HA -0.071 4.249 4.340 -0.033 0.000 0.214 849 L C 2.229 179.159 176.870 0.101 0.000 1.120 849 L CA 0.709 55.576 54.840 0.044 0.000 0.799 849 L CB -0.289 41.770 42.059 0.000 0.000 0.925 849 L HN 0.259 nan 8.230 nan 0.000 0.446 850 Y N 0.684 120.995 120.300 0.019 0.000 2.206 850 Y HA -0.055 4.475 4.550 -0.033 0.000 0.292 850 Y C 2.400 178.365 175.900 0.108 0.000 1.123 850 Y CA 1.392 59.544 58.100 0.086 0.000 1.142 850 Y CB -0.370 38.147 38.460 0.096 0.000 1.006 850 Y HN 0.040 nan 8.280 nan 0.000 0.518 851 G N -0.333 108.585 108.800 0.196 0.000 2.446 851 G HA2 -0.276 3.664 3.960 -0.033 0.000 0.217 851 G HA3 -0.276 3.664 3.960 -0.033 0.000 0.217 851 G C 1.851 176.762 174.900 0.019 0.000 1.168 851 G CA 1.269 46.430 45.100 0.102 0.000 0.771 851 G HN 0.259 nan 8.290 nan 0.000 0.551 852 K N -0.474 119.940 120.400 0.024 0.000 2.032 852 K HA -0.103 4.198 4.320 -0.033 0.000 0.209 852 K C 2.201 178.780 176.600 -0.035 0.000 1.048 852 K CA 1.370 57.653 56.287 -0.008 0.000 0.927 852 K CB -0.898 31.603 32.500 0.002 0.000 0.712 852 K HN 0.626 nan 8.250 nan 0.000 0.441 853 Y N 1.397 121.606 120.300 -0.152 0.000 2.200 853 Y HA -0.179 4.351 4.550 -0.033 0.000 0.290 853 Y C 2.434 178.169 175.900 -0.276 0.000 1.137 853 Y CA 1.702 59.672 58.100 -0.215 0.000 1.163 853 Y CB -0.185 38.121 38.460 -0.256 0.000 0.988 853 Y HN 0.133 nan 8.280 nan 0.000 0.518 854 S N 0.121 115.633 115.700 -0.314 0.000 2.382 854 S HA -0.230 4.220 4.470 -0.033 0.000 0.228 854 S C 2.351 176.826 174.600 -0.209 0.000 1.027 854 S CA 1.503 59.486 58.200 -0.362 0.000 0.991 854 S CB -0.663 62.410 63.200 -0.211 0.000 0.823 854 S HN 0.637 nan 8.310 nan 0.000 0.469 855 R N 1.311 121.727 120.500 -0.139 0.000 2.081 855 R HA -0.010 4.310 4.340 -0.033 0.000 0.235 855 R C 2.398 178.654 176.300 -0.073 0.000 1.131 855 R CA 2.174 58.228 56.100 -0.076 0.000 0.960 855 R CB -1.833 28.437 30.300 -0.050 0.000 0.856 855 R HN 0.598 nan 8.270 nan 0.000 0.436 856 K N 0.350 120.660 120.400 -0.150 0.000 2.097 856 K HA -0.151 4.149 4.320 -0.033 0.000 0.206 856 K C 2.043 178.673 176.600 0.051 0.000 1.049 856 K CA 1.668 57.919 56.287 -0.061 0.000 0.933 856 K CB -1.052 31.282 32.500 -0.277 0.000 0.717 856 K HN 0.857 nan 8.250 nan 0.000 0.442 857 H N 0.617 119.472 119.070 -0.359 0.000 2.353 857 H HA -0.116 4.420 4.556 -0.033 0.000 0.300 857 H C 1.168 176.448 175.328 -0.079 0.000 1.090 857 H CA 1.680 57.554 56.048 -0.290 0.000 1.327 857 H CB 0.177 29.638 29.762 -0.501 0.000 1.383 857 H HN 0.514 nan 8.280 nan 0.000 0.508 858 D N 0.707 121.071 120.400 -0.060 0.000 2.117 858 D HA -0.127 4.493 4.640 -0.033 0.000 0.197 858 D C 2.591 178.847 176.300 -0.073 0.000 0.987 858 D CA 0.643 54.603 54.000 -0.067 0.000 0.829 858 D CB -0.344 40.446 40.800 -0.018 0.000 0.961 858 D HN 0.381 nan 8.370 nan 0.000 0.460 859 L N 0.100 121.324 121.223 0.002 0.000 2.083 859 L HA -0.179 4.141 4.340 -0.033 0.000 0.209 859 L C 2.532 179.301 176.870 -0.168 0.000 1.083 859 L CA 1.068 55.908 54.840 0.000 0.000 0.752 859 L CB -0.511 41.683 42.059 0.225 0.000 0.899 859 L HN 0.246 nan 8.230 nan 0.000 0.433 860 H N 0.377 119.257 119.070 -0.318 0.000 2.353 860 H HA -0.143 4.393 4.556 -0.033 0.000 0.300 860 H C 2.062 177.171 175.328 -0.366 0.000 1.090 860 H CA 1.511 57.259 56.048 -0.500 0.000 1.327 860 H CB 0.424 29.939 29.762 -0.412 0.000 1.383 860 H HN 0.333 nan 8.280 nan 0.000 0.508 861 E N 0.584 120.623 120.200 -0.269 0.000 2.077 861 E HA -0.134 4.196 4.350 -0.033 0.000 0.193 861 E C 1.865 178.324 176.600 -0.234 0.000 0.989 861 E CA 0.940 57.187 56.400 -0.256 0.000 0.800 861 E CB -0.179 29.388 29.700 -0.221 0.000 0.746 861 E HN 0.573 nan 8.360 nan 0.000 0.452 862 D N 0.537 120.816 120.400 -0.201 0.000 2.117 862 D HA -0.126 4.494 4.640 -0.033 0.000 0.197 862 D C 2.060 178.239 176.300 -0.201 0.000 0.987 862 D CA 1.060 54.961 54.000 -0.165 0.000 0.829 862 D CB -0.247 40.477 40.800 -0.127 0.000 0.961 862 D HN 0.199 nan 8.370 nan 0.000 0.460 863 M N 0.093 119.527 119.600 -0.276 0.000 2.159 863 M HA -0.111 4.350 4.480 -0.033 0.000 0.263 863 M C 2.028 178.153 176.300 -0.292 0.000 1.063 863 M CA 1.114 56.238 55.300 -0.294 0.000 1.110 863 M CB -0.233 32.133 32.600 -0.390 0.000 1.374 863 M HN -0.072 nan 8.290 nan 0.000 0.411 864 K N 0.544 120.733 120.400 -0.351 0.000 1.985 864 K HA -0.203 4.098 4.320 -0.033 0.000 0.210 864 K C 2.101 178.592 176.600 -0.182 0.000 1.047 864 K CA 1.653 57.773 56.287 -0.280 0.000 0.932 864 K CB -0.332 31.994 32.500 -0.289 0.000 0.716 864 K HN 0.395 nan 8.250 nan 0.000 0.439 865 Q N 0.887 120.591 119.800 -0.161 0.000 2.096 865 Q HA -0.144 4.177 4.340 -0.033 0.000 0.204 865 Q C 2.189 178.123 176.000 -0.111 0.000 0.982 865 Q CA 1.128 56.860 55.803 -0.117 0.000 0.850 865 Q CB -0.031 28.646 28.738 -0.103 0.000 0.901 865 Q HN 0.296 nan 8.270 nan 0.000 0.422 866 L N 0.379 121.527 121.223 -0.125 0.000 2.093 866 L HA -0.205 4.115 4.340 -0.033 0.000 0.208 866 L C 2.656 179.459 176.870 -0.111 0.000 1.085 866 L CA 1.731 56.502 54.840 -0.114 0.000 0.755 866 L CB -0.418 41.569 42.059 -0.120 0.000 0.904 866 L HN 0.188 nan 8.230 nan 0.000 0.435 867 K N 0.125 120.450 120.400 -0.126 0.000 2.097 867 K HA -0.194 4.106 4.320 -0.033 0.000 0.206 867 K C 2.005 178.548 176.600 -0.094 0.000 1.049 867 K CA 1.624 57.842 56.287 -0.115 0.000 0.933 867 K CB -0.752 31.668 32.500 -0.133 0.000 0.717 867 K HN 0.447 nan 8.250 nan 0.000 0.442 868 R N -0.109 120.337 120.500 -0.090 0.000 2.066 868 R HA -0.059 4.261 4.340 -0.033 0.000 0.232 868 R C 2.669 178.928 176.300 -0.068 0.000 1.131 868 R CA 1.521 57.577 56.100 -0.072 0.000 0.955 868 R CB -0.236 30.024 30.300 -0.067 0.000 0.851 868 R HN 0.446 nan 8.270 nan 0.000 0.432 869 K N 0.847 121.203 120.400 -0.074 0.000 2.034 869 K HA -0.168 4.133 4.320 -0.033 0.000 0.214 869 K C 2.065 178.620 176.600 -0.075 0.000 1.051 869 K CA 1.668 57.911 56.287 -0.073 0.000 0.931 869 K CB -0.168 32.284 32.500 -0.081 0.000 0.715 869 K HN 0.139 nan 8.250 nan 0.000 0.446 870 I N 0.116 120.638 120.570 -0.081 0.000 2.493 870 I HA -0.239 3.911 4.170 -0.033 0.000 0.254 870 I C 2.535 178.609 176.117 -0.071 0.000 1.160 870 I CA 0.708 61.958 61.300 -0.082 0.000 1.445 870 I CB -0.256 37.693 38.000 -0.085 0.000 1.086 870 I HN 0.234 nan 8.210 nan 0.000 0.433 871 S N 1.123 116.784 115.700 -0.065 0.000 2.345 871 S HA -0.214 4.236 4.470 -0.033 0.000 0.220 871 S C 1.876 176.448 174.600 -0.048 0.000 1.031 871 S CA 1.603 59.770 58.200 -0.055 0.000 0.996 871 S CB -0.192 62.976 63.200 -0.052 0.000 0.882 871 S HN 0.458 nan 8.310 nan 0.000 0.445 872 E N 0.632 120.805 120.200 -0.046 0.000 2.204 872 E HA -0.034 4.297 4.350 -0.033 0.000 0.195 872 E C 1.904 178.482 176.600 -0.037 0.000 0.990 872 E CA 1.160 57.539 56.400 -0.035 0.000 0.821 872 E CB -0.141 29.540 29.700 -0.031 0.000 0.750 872 E HN 0.422 nan 8.360 nan 0.000 0.477 873 S N 0.818 116.487 115.700 -0.052 0.000 2.603 873 S HA -0.023 4.427 4.470 -0.033 0.000 0.220 873 S C 1.545 176.105 174.600 -0.066 0.000 0.967 873 S CA 0.220 58.382 58.200 -0.064 0.000 0.920 873 S CB 0.102 63.248 63.200 -0.090 0.000 0.773 873 S HN 0.232 nan 8.310 nan 0.000 0.529 874 Q N 1.076 120.842 119.800 -0.056 0.000 2.187 874 Q HA 0.182 4.502 4.340 -0.033 0.000 0.199 874 Q C 1.001 176.975 176.000 -0.043 0.000 0.957 874 Q CA 0.468 56.239 55.803 -0.054 0.000 0.857 874 Q CB -0.240 28.470 28.738 -0.047 0.000 0.929 874 Q HN 0.544 nan 8.270 nan 0.000 0.453 875 A N 0.780 123.581 122.820 -0.032 0.000 2.302 875 A HA 0.374 4.675 4.320 -0.033 0.000 0.285 875 A C 0.102 177.675 177.584 -0.018 0.000 1.105 875 A CA -0.493 51.532 52.037 -0.021 0.000 0.816 875 A CB 0.758 19.750 19.000 -0.013 0.000 1.067 875 A HN 0.027 nan 8.150 nan 0.000 0.489 876 V N 2.338 122.245 119.914 -0.012 0.000 2.694 876 V HA 0.028 4.128 4.120 -0.033 0.000 0.306 876 V C 0.499 176.597 176.094 0.006 0.000 1.054 876 V CA 0.400 62.695 62.300 -0.009 0.000 1.161 876 V CB -0.184 31.637 31.823 -0.004 0.000 0.916 876 V HN 0.721 nan 8.190 nan 0.000 0.490 877 I N 3.197 123.778 120.570 0.019 0.000 2.752 877 I HA 0.189 4.339 4.170 -0.033 0.000 0.287 877 I C 0.771 176.900 176.117 0.020 0.000 1.188 877 I CA 0.273 61.604 61.300 0.052 0.000 1.427 877 I CB -0.334 37.764 38.000 0.163 0.000 1.365 877 I HN 0.829 nan 8.210 nan 0.000 0.585 878 Q N 1.963 121.770 119.800 0.012 0.000 2.494 878 Q HA -0.204 4.116 4.340 -0.033 0.000 0.266 878 Q C 0.739 176.746 176.000 0.011 0.000 1.053 878 Q CA 0.911 56.712 55.803 -0.004 0.000 1.029 878 Q CB -1.901 26.824 28.738 -0.022 0.000 1.423 878 Q HN 0.833 nan 8.270 nan 0.000 0.516 879 L N -0.259 120.973 121.223 0.014 0.000 2.093 879 L HA -0.156 4.165 4.340 -0.033 0.000 0.208 879 L C 1.834 178.710 176.870 0.010 0.000 1.085 879 L CA 1.372 56.222 54.840 0.017 0.000 0.755 879 L CB -0.206 41.862 42.059 0.016 0.000 0.904 879 L HN 0.220 nan 8.230 nan 0.000 0.435 880 D N -0.100 120.303 120.400 0.004 0.000 2.149 880 D HA -0.225 4.395 4.640 -0.033 0.000 0.198 880 D C 1.738 178.036 176.300 -0.004 0.000 0.990 880 D CA 1.383 55.384 54.000 0.001 0.000 0.839 880 D CB -0.104 40.694 40.800 -0.002 0.000 0.948 880 D HN 0.280 nan 8.370 nan 0.000 0.460 881 D N -0.566 119.827 120.400 -0.011 0.000 2.149 881 D HA -0.100 4.520 4.640 -0.033 0.000 0.201 881 D C 1.963 178.249 176.300 -0.024 0.000 0.972 881 D CA 0.225 54.210 54.000 -0.025 0.000 0.835 881 D CB -0.065 40.710 40.800 -0.042 0.000 0.966 881 D HN 0.027 nan 8.370 nan 0.000 0.476 882 L N 0.871 122.089 121.223 -0.008 0.000 2.042 882 L HA -0.071 4.249 4.340 -0.033 0.000 0.210 882 L C 2.279 179.155 176.870 0.010 0.000 1.076 882 L CA 1.706 56.547 54.840 0.002 0.000 0.749 882 L CB -0.624 41.451 42.059 0.027 0.000 0.893 882 L HN -0.048 nan 8.230 nan 0.000 0.432 883 R N -0.749 119.759 120.500 0.013 0.000 2.081 883 R HA -0.152 4.169 4.340 -0.033 0.000 0.235 883 R C 2.421 178.732 176.300 0.018 0.000 1.131 883 R CA 1.648 57.758 56.100 0.017 0.000 0.960 883 R CB -0.140 30.169 30.300 0.014 0.000 0.856 883 R HN 0.383 nan 8.270 nan 0.000 0.436 884 R N -0.296 120.210 120.500 0.011 0.000 2.092 884 R HA -0.062 4.259 4.340 -0.033 0.000 0.231 884 R C 2.393 178.715 176.300 0.036 0.000 1.119 884 R CA 1.376 57.485 56.100 0.016 0.000 0.970 884 R CB -0.203 30.100 30.300 0.005 0.000 0.864 884 R HN 0.237 nan 8.270 nan 0.000 0.440 885 R N 0.737 121.256 120.500 0.032 0.000 2.148 885 R HA -0.038 4.282 4.340 -0.033 0.000 0.223 885 R C 2.067 178.438 176.300 0.118 0.000 1.088 885 R CA 0.977 57.130 56.100 0.089 0.000 0.985 885 R CB -0.010 30.250 30.300 -0.066 0.000 0.880 885 R HN 0.152 nan 8.270 nan 0.000 0.451 886 K N 0.255 120.693 120.400 0.064 0.000 2.148 886 K HA -0.137 4.164 4.320 -0.033 0.000 0.204 886 K C 2.129 178.762 176.600 0.055 0.000 1.050 886 K CA 0.931 57.254 56.287 0.061 0.000 0.942 886 K CB -0.041 32.486 32.500 0.045 0.000 0.724 886 K HN 0.085 nan 8.250 nan 0.000 0.446 887 R N 0.964 121.491 120.500 0.045 0.000 2.073 887 R HA -0.127 4.193 4.340 -0.033 0.000 0.234 887 R C 2.082 178.400 176.300 0.030 0.000 1.134 887 R CA 1.325 57.445 56.100 0.034 0.000 0.952 887 R CB -0.262 30.053 30.300 0.024 0.000 0.850 887 R HN -0.036 nan 8.270 nan 0.000 0.433 888 V N 1.737 121.671 119.914 0.033 0.000 2.282 888 V HA -0.293 3.807 4.120 -0.033 0.000 0.249 888 V C 2.457 178.525 176.094 -0.043 0.000 1.057 888 V CA 1.909 64.201 62.300 -0.013 0.000 1.032 888 V CB -0.466 31.348 31.823 -0.015 0.000 0.645 888 V HN 0.349 nan 8.190 nan 0.000 0.447 889 L N -0.712 120.503 121.223 -0.013 0.000 2.017 889 L HA -0.181 4.139 4.340 -0.033 0.000 0.208 889 L C 2.797 179.726 176.870 0.098 0.000 1.073 889 L CA 1.764 56.599 54.840 -0.007 0.000 0.745 889 L CB -0.628 41.456 42.059 0.041 0.000 0.894 889 L HN 0.226 nan 8.230 nan 0.000 0.432 890 R N -0.457 120.086 120.500 0.071 0.000 2.096 890 R HA -0.175 4.146 4.340 -0.033 0.000 0.235 890 R C 2.424 178.759 176.300 0.058 0.000 1.127 890 R CA 1.123 57.262 56.100 0.064 0.000 0.968 890 R CB -0.287 30.040 30.300 0.044 0.000 0.861 890 R HN 0.108 nan 8.270 nan 0.000 0.440 891 R N 0.579 121.108 120.500 0.048 0.000 2.092 891 R HA -0.000 4.320 4.340 -0.033 0.000 0.231 891 R C 1.637 177.970 176.300 0.054 0.000 1.119 891 R CA 1.083 57.205 56.100 0.036 0.000 0.970 891 R CB -0.230 30.081 30.300 0.019 0.000 0.864 891 R HN 0.104 nan 8.270 nan 0.000 0.440 892 L N -0.634 120.654 121.223 0.108 0.000 2.554 892 L HA 0.262 4.583 4.340 -0.033 0.000 0.226 892 L C 0.902 177.853 176.870 0.134 0.000 1.137 892 L CA 1.461 56.412 54.840 0.185 0.000 0.863 892 L CB -0.759 41.513 42.059 0.356 0.000 0.985 892 L HN 0.573 nan 8.230 nan 0.000 0.451 893 G N -0.914 107.945 108.800 0.098 0.000 2.136 893 G HA2 -0.333 3.607 3.960 -0.033 0.000 0.242 893 G HA3 -0.333 3.607 3.960 -0.033 0.000 0.242 893 G C 0.650 175.484 174.900 -0.110 0.000 0.989 893 G CA 0.219 45.298 45.100 -0.035 0.000 0.682 893 G HN 0.287 nan 8.290 nan 0.000 0.522 894 F N 0.468 120.357 119.950 -0.101 0.000 2.558 894 F HA 0.292 4.799 4.527 -0.033 0.000 0.298 894 F C 1.980 177.746 175.800 -0.057 0.000 1.119 894 F CA 0.775 58.715 58.000 -0.100 0.000 1.451 894 F CB -0.083 38.867 39.000 -0.084 0.000 1.091 894 F HN 0.736 nan 8.300 nan 0.000 0.563 895 C N -2.523 116.850 119.300 0.120 0.000 3.311 895 C HA 0.645 5.085 4.460 -0.033 0.000 0.325 895 C C 0.118 175.134 174.990 0.044 0.000 1.352 895 C CA -0.908 58.151 59.018 0.068 0.000 1.308 895 C CB 0.837 28.625 27.740 0.081 0.000 1.619 895 C HN 0.255 nan 8.230 nan 0.000 0.469 896 T N -1.738 112.834 114.554 0.030 0.000 2.849 896 T HA 0.523 4.854 4.350 -0.033 0.000 0.284 896 T C -1.764 172.953 174.700 0.028 0.000 1.004 896 T CA -0.831 61.283 62.100 0.023 0.000 1.021 896 T CB 0.658 69.536 68.868 0.017 0.000 1.013 896 T HN 0.605 nan 8.240 nan 0.000 0.527 897 P HA 0.002 nan 4.420 nan 0.000 0.226 897 P C 0.706 178.020 177.300 0.024 0.000 1.146 897 P CA 0.649 63.763 63.100 0.024 0.000 0.773 897 P CB -0.027 31.684 31.700 0.019 0.000 0.772 898 N N -0.658 118.056 118.700 0.023 0.000 2.270 898 N HA -0.007 4.713 4.740 -0.033 0.000 0.198 898 N C -0.283 175.244 175.510 0.027 0.000 1.117 898 N CA 0.277 53.341 53.050 0.023 0.000 0.845 898 N CB -0.426 38.073 38.487 0.019 0.000 0.980 898 N HN -0.022 nan 8.380 nan 0.000 0.486 899 D N 0.201 120.620 120.400 0.032 0.000 2.835 899 D HA -0.148 4.473 4.640 -0.033 0.000 0.230 899 D C -0.615 175.706 176.300 0.035 0.000 1.130 899 D CA 0.588 54.611 54.000 0.037 0.000 0.738 899 D CB -1.175 39.649 40.800 0.039 0.000 1.090 899 D HN 0.234 nan 8.370 nan 0.000 0.433 900 I N 1.025 121.613 120.570 0.030 0.000 2.336 900 I HA 0.341 4.491 4.170 -0.033 0.000 0.292 900 I C 1.255 177.389 176.117 0.029 0.000 0.991 900 I CA -0.953 60.363 61.300 0.027 0.000 1.227 900 I CB 1.240 39.252 38.000 0.020 0.000 1.366 900 I HN 0.032 nan 8.210 nan 0.000 0.466 901 I N 6.105 126.693 120.570 0.030 0.000 2.598 901 I HA 0.008 4.159 4.170 -0.033 0.000 0.284 901 I C 0.872 177.001 176.117 0.019 0.000 1.140 901 I CA 0.159 61.480 61.300 0.035 0.000 1.420 901 I CB 0.384 38.406 38.000 0.037 0.000 1.387 901 I HN 0.532 nan 8.210 nan 0.000 0.553 902 E N 5.428 125.632 120.200 0.007 0.000 2.322 902 E HA 0.046 4.376 4.350 -0.033 0.000 0.257 902 E C 0.646 177.222 176.600 -0.039 0.000 1.155 902 E CA -0.514 55.869 56.400 -0.028 0.000 0.936 902 E CB 1.002 30.660 29.700 -0.069 0.000 1.130 902 E HN 0.583 nan 8.360 nan 0.000 0.465 903 L N 1.744 122.941 121.223 -0.043 0.000 2.042 903 L HA -0.203 4.117 4.340 -0.033 0.000 0.210 903 L C 1.977 178.814 176.870 -0.054 0.000 1.076 903 L CA 1.997 56.839 54.840 0.005 0.000 0.749 903 L CB -0.370 41.738 42.059 0.081 0.000 0.893 903 L HN 0.439 nan 8.230 nan 0.000 0.432 904 K N -0.735 119.458 120.400 -0.344 0.000 2.074 904 K HA -0.184 4.116 4.320 -0.033 0.000 0.209 904 K C 1.961 178.390 176.600 -0.285 0.000 1.048 904 K CA 1.428 57.276 56.287 -0.732 0.000 0.926 904 K CB -0.757 30.932 32.500 -1.352 0.000 0.713 904 K HN 0.604 nan 8.250 nan 0.000 0.444 905 G N 1.071 109.822 108.800 -0.083 0.000 2.402 905 G HA2 -0.247 3.694 3.960 -0.033 0.000 0.216 905 G HA3 -0.247 3.694 3.960 -0.033 0.000 0.216 905 G C 1.416 176.380 174.900 0.107 0.000 1.162 905 G CA 0.496 45.690 45.100 0.157 0.000 0.777 905 G HN 0.241 nan 8.290 nan 0.000 0.539 906 R N -0.202 120.334 120.500 0.060 0.000 2.105 906 R HA -0.044 4.276 4.340 -0.033 0.000 0.239 906 R C 2.625 178.974 176.300 0.082 0.000 1.135 906 R CA 1.161 57.297 56.100 0.061 0.000 0.967 906 R CB -0.560 29.771 30.300 0.051 0.000 0.861 906 R HN 0.308 nan 8.270 nan 0.000 0.442 907 V N 1.004 120.985 119.914 0.111 0.000 2.270 907 V HA -0.237 3.863 4.120 -0.033 0.000 0.245 907 V C 2.482 178.663 176.094 0.145 0.000 1.043 907 V CA 1.968 64.356 62.300 0.146 0.000 1.014 907 V CB -0.739 31.238 31.823 0.256 0.000 0.645 907 V HN 0.410 nan 8.190 nan 0.000 0.447 908 A N -0.963 121.967 122.820 0.182 0.000 1.940 908 A HA -0.291 4.010 4.320 -0.033 0.000 0.219 908 A C 2.341 179.999 177.584 0.123 0.000 1.176 908 A CA 2.299 54.458 52.037 0.205 0.000 0.631 908 A CB -1.185 18.009 19.000 0.324 0.000 0.814 908 A HN 0.618 nan 8.150 nan 0.000 0.446 909 C N -0.172 119.179 119.300 0.086 0.000 2.413 909 C HA -0.075 4.366 4.460 -0.033 0.000 0.277 909 C C 2.365 177.376 174.990 0.035 0.000 1.265 909 C CA 1.129 60.162 59.018 0.025 0.000 1.752 909 C CB -1.006 26.729 27.740 -0.008 0.000 1.998 909 C HN 0.603 nan 8.230 nan 0.000 0.489 910 E N 0.471 120.704 120.200 0.057 0.000 2.482 910 E HA 0.153 4.483 4.350 -0.033 0.000 0.196 910 E C 0.451 177.087 176.600 0.061 0.000 1.047 910 E CA 0.474 56.906 56.400 0.054 0.000 0.869 910 E CB -0.059 29.672 29.700 0.052 0.000 0.836 910 E HN 0.664 nan 8.360 nan 0.000 0.520 911 I N 1.076 121.691 120.570 0.075 0.000 2.312 911 I HA 0.079 4.229 4.170 -0.033 0.000 0.290 911 I C 0.725 176.896 176.117 0.091 0.000 1.008 911 I CA -0.080 61.269 61.300 0.082 0.000 1.226 911 I CB 1.419 39.478 38.000 0.098 0.000 1.371 911 I HN -0.177 nan 8.210 nan 0.000 0.468 912 S N 1.820 117.573 115.700 0.089 0.000 2.663 912 S HA 0.018 4.468 4.470 -0.033 0.000 0.247 912 S C 1.518 176.184 174.600 0.109 0.000 1.074 912 S CA -0.110 58.147 58.200 0.096 0.000 0.955 912 S CB 0.584 63.834 63.200 0.084 0.000 0.901 912 S HN 0.620 nan 8.310 nan 0.000 0.505 913 S N 1.204 116.969 115.700 0.108 0.000 2.562 913 S HA 0.370 4.821 4.470 -0.033 0.000 0.221 913 S C 0.839 175.537 174.600 0.164 0.000 0.975 913 S CA 0.353 58.626 58.200 0.122 0.000 0.918 913 S CB 0.390 63.655 63.200 0.107 0.000 0.772 913 S HN 0.590 nan 8.310 nan 0.000 0.531 914 G N 0.290 109.202 108.800 0.187 0.000 2.766 914 G HA2 0.387 4.327 3.960 -0.033 0.000 0.288 914 G HA3 0.387 4.327 3.960 -0.033 0.000 0.288 914 G C -1.837 173.248 174.900 0.308 0.000 1.408 914 G CA -0.624 44.649 45.100 0.288 0.000 0.852 914 G HN 0.007 nan 8.290 nan 0.000 0.487 915 D N 0.994 121.670 120.400 0.460 0.000 2.368 915 D HA -0.013 4.607 4.640 -0.033 0.000 0.268 915 D C 1.659 178.159 176.300 0.334 0.000 1.298 915 D CA -0.112 54.146 54.000 0.429 0.000 0.938 915 D CB 0.865 42.045 40.800 0.632 0.000 1.101 915 D HN 0.510 nan 8.370 nan 0.000 0.509 916 E N 4.423 124.763 120.200 0.233 0.000 2.204 916 E HA -0.174 4.157 4.350 -0.033 0.000 0.194 916 E C 1.824 178.521 176.600 0.162 0.000 0.989 916 E CA 0.562 57.069 56.400 0.178 0.000 0.824 916 E CB -0.199 29.587 29.700 0.143 0.000 0.756 916 E HN 0.559 nan 8.360 nan 0.000 0.477 917 L N 0.023 121.290 121.223 0.073 0.000 2.023 917 L HA -0.108 4.212 4.340 -0.033 0.000 0.205 917 L C 2.710 179.694 176.870 0.190 0.000 1.073 917 L CA 0.718 55.533 54.840 -0.041 0.000 0.745 917 L CB -0.459 41.409 42.059 -0.317 0.000 0.900 917 L HN 0.139 nan 8.230 nan 0.000 0.435 918 L N 0.018 121.386 121.223 0.242 0.000 2.017 918 L HA -0.198 4.122 4.340 -0.033 0.000 0.208 918 L C 2.333 179.341 176.870 0.229 0.000 1.073 918 L CA 1.711 56.698 54.840 0.245 0.000 0.745 918 L CB -0.505 41.696 42.059 0.237 0.000 0.894 918 L HN 0.093 nan 8.230 nan 0.000 0.432 919 L N -1.161 120.191 121.223 0.216 0.000 2.046 919 L HA -0.232 4.089 4.340 -0.033 0.000 0.208 919 L C 2.327 179.307 176.870 0.182 0.000 1.077 919 L CA 1.807 56.689 54.840 0.070 0.000 0.747 919 L CB -0.843 41.185 42.059 -0.052 0.000 0.896 919 L HN 0.310 nan 8.230 nan 0.000 0.432 920 T N -1.189 113.516 114.554 0.251 0.000 2.788 920 T HA -0.152 4.178 4.350 -0.033 0.000 0.268 920 T C 1.789 176.673 174.700 0.307 0.000 1.044 920 T CA 1.015 63.302 62.100 0.311 0.000 1.139 920 T CB -0.076 68.990 68.868 0.331 0.000 0.867 920 T HN 0.267 nan 8.240 nan 0.000 0.454 921 E N 1.051 121.395 120.200 0.240 0.000 2.072 921 E HA 0.005 4.335 4.350 -0.033 0.000 0.191 921 E C 2.363 179.057 176.600 0.156 0.000 0.985 921 E CA 0.670 57.172 56.400 0.171 0.000 0.801 921 E CB -0.445 29.347 29.700 0.154 0.000 0.750 921 E HN 0.454 nan 8.360 nan 0.000 0.452 922 L N 0.558 121.853 121.223 0.121 0.000 2.012 922 L HA -0.201 4.119 4.340 -0.033 0.000 0.210 922 L C 2.581 179.489 176.870 0.063 0.000 1.073 922 L CA 1.063 55.906 54.840 0.005 0.000 0.748 922 L CB -0.434 41.576 42.059 -0.081 0.000 0.891 922 L HN 0.115 nan 8.230 nan 0.000 0.431 923 I N -1.251 119.463 120.570 0.240 0.000 2.226 923 I HA -0.302 3.849 4.170 -0.033 0.000 0.245 923 I C 2.193 178.354 176.117 0.072 0.000 1.100 923 I CA 1.560 63.004 61.300 0.239 0.000 1.374 923 I CB -0.201 37.916 38.000 0.195 0.000 1.057 923 I HN 0.107 nan 8.210 nan 0.000 0.413 924 F N 0.233 120.197 119.950 0.022 0.000 2.416 924 F HA -0.065 4.442 4.527 -0.033 0.000 0.296 924 F C 2.097 177.887 175.800 -0.017 0.000 1.099 924 F CA 0.702 58.694 58.000 -0.014 0.000 1.427 924 F CB -0.265 38.698 39.000 -0.061 0.000 1.079 924 F HN 0.056 nan 8.300 nan 0.000 0.536 925 N N -0.056 118.727 118.700 0.138 0.000 2.467 925 N HA 0.049 4.769 4.740 -0.033 0.000 0.184 925 N C 1.309 176.826 175.510 0.011 0.000 1.106 925 N CA 0.999 54.083 53.050 0.057 0.000 0.892 925 N CB 0.053 38.558 38.487 0.029 0.000 0.969 925 N HN 0.214 nan 8.380 nan 0.000 0.454 926 G N 0.346 109.149 108.800 0.006 0.000 2.147 926 G HA2 -0.306 3.635 3.960 -0.033 0.000 0.244 926 G HA3 -0.306 3.635 3.960 -0.033 0.000 0.244 926 G C 0.670 175.545 174.900 -0.041 0.000 1.005 926 G CA 0.411 45.508 45.100 -0.004 0.000 0.713 926 G HN 0.401 nan 8.290 nan 0.000 0.515 927 N N -0.490 118.123 118.700 -0.144 0.000 2.585 927 N HA 0.086 4.806 4.740 -0.033 0.000 0.188 927 N C 1.304 176.614 175.510 -0.333 0.000 1.102 927 N CA 1.019 53.904 53.050 -0.274 0.000 0.920 927 N CB -0.228 38.016 38.487 -0.405 0.000 0.963 927 N HN 0.513 nan 8.380 nan 0.000 0.447 928 F N -0.257 119.690 119.950 -0.004 0.000 2.721 928 F HA 0.261 4.768 4.527 -0.032 0.000 0.301 928 F C 1.552 177.349 175.800 -0.005 0.000 1.096 928 F CA -0.252 57.746 58.000 -0.004 0.000 1.308 928 F CB -0.007 38.983 39.000 -0.016 0.000 1.086 928 F HN -0.062 nan 8.300 nan 0.000 0.587 929 N N 0.523 119.299 118.700 0.128 0.000 2.120 929 N HA -0.133 4.588 4.740 -0.033 0.000 0.188 929 N C 1.079 176.625 175.510 0.061 0.000 1.024 929 N CA 1.220 54.315 53.050 0.076 0.000 0.852 929 N CB -0.186 38.323 38.487 0.036 0.000 1.003 929 N HN 0.204 nan 8.380 nan 0.000 0.424 930 E N 0.215 120.445 120.200 0.051 0.000 2.496 930 E HA 0.225 4.555 4.350 -0.033 0.000 0.202 930 E C -0.212 176.422 176.600 0.058 0.000 1.021 930 E CA -0.113 56.312 56.400 0.042 0.000 1.015 930 E CB 0.237 29.951 29.700 0.023 0.000 1.102 930 E HN 0.319 nan 8.360 nan 0.000 0.452 931 L N 1.229 122.506 121.223 0.091 0.000 2.307 931 L HA 0.342 4.662 4.340 -0.033 0.000 0.284 931 L C 0.576 177.513 176.870 0.112 0.000 1.023 931 L CA -0.713 54.196 54.840 0.114 0.000 0.810 931 L CB 1.556 43.717 42.059 0.170 0.000 1.231 931 L HN -0.269 nan 8.230 nan 0.000 0.423 932 K N 3.174 123.639 120.400 0.109 0.000 2.258 932 K HA 0.136 4.436 4.320 -0.033 0.000 0.264 932 K C -1.664 175.001 176.600 0.108 0.000 1.007 932 K CA -1.488 54.856 56.287 0.095 0.000 0.941 932 K CB 0.555 33.112 32.500 0.095 0.000 0.966 932 K HN 0.244 nan 8.250 nan 0.000 0.480 933 P HA -0.281 nan 4.420 nan 0.000 0.216 933 P C 0.981 178.342 177.300 0.102 0.000 1.157 933 P CA 1.517 64.659 63.100 0.069 0.000 0.880 933 P CB 0.098 31.818 31.700 0.034 0.000 0.791 934 E N 0.175 120.427 120.200 0.087 0.000 2.160 934 E HA -0.234 4.096 4.350 -0.033 0.000 0.195 934 E C 1.893 178.668 176.600 0.291 0.000 0.991 934 E CA 1.299 57.760 56.400 0.102 0.000 0.810 934 E CB -1.066 28.564 29.700 -0.117 0.000 0.742 934 E HN 0.429 nan 8.360 nan 0.000 0.466 935 Q N 0.599 120.578 119.800 0.298 0.000 2.083 935 Q HA 0.022 4.342 4.340 -0.033 0.000 0.198 935 Q C 2.340 178.490 176.000 0.251 0.000 0.969 935 Q CA 1.374 57.352 55.803 0.292 0.000 0.838 935 Q CB -0.179 28.687 28.738 0.213 0.000 0.900 935 Q HN 0.413 nan 8.270 nan 0.000 0.436 936 A N 1.196 124.156 122.820 0.234 0.000 1.902 936 A HA -0.165 4.136 4.320 -0.033 0.000 0.217 936 A C 2.280 180.000 177.584 0.228 0.000 1.181 936 A CA 1.680 53.873 52.037 0.258 0.000 0.623 936 A CB -0.770 18.320 19.000 0.150 0.000 0.818 936 A HN 0.403 nan 8.150 nan 0.000 0.443 937 A N -0.141 122.801 122.820 0.204 0.000 1.877 937 A HA 0.159 4.459 4.320 -0.033 0.000 0.216 937 A C 2.521 180.256 177.584 0.251 0.000 1.186 937 A CA 2.127 54.295 52.037 0.219 0.000 0.620 937 A CB -1.067 18.074 19.000 0.235 0.000 0.822 937 A HN 1.095 nan 8.150 nan 0.000 0.443 938 A N -0.700 122.283 122.820 0.272 0.000 1.933 938 A HA -0.031 4.269 4.320 -0.033 0.000 0.218 938 A C 2.132 179.847 177.584 0.219 0.000 1.175 938 A CA 1.760 53.945 52.037 0.247 0.000 0.628 938 A CB -0.556 18.599 19.000 0.258 0.000 0.814 938 A HN 0.643 nan 8.150 nan 0.000 0.444 939 L N -0.342 121.028 121.223 0.245 0.000 2.027 939 L HA -0.015 4.305 4.340 -0.033 0.000 0.206 939 L C 2.181 179.288 176.870 0.395 0.000 1.074 939 L CA 1.591 56.596 54.840 0.276 0.000 0.745 939 L CB -0.487 41.743 42.059 0.285 0.000 0.898 939 L HN 0.381 nan 8.230 nan 0.000 0.433 940 L N -0.416 121.036 121.223 0.382 0.000 2.362 940 L HA -0.142 4.178 4.340 -0.033 0.000 0.219 940 L C 2.517 179.645 176.870 0.431 0.000 1.134 940 L CA 1.072 56.159 54.840 0.411 0.000 0.807 940 L CB -0.703 41.476 42.059 0.199 0.000 0.927 940 L HN 0.502 nan 8.230 nan 0.000 0.447 941 S N -1.519 114.360 115.700 0.300 0.000 2.469 941 S HA -0.177 4.273 4.470 -0.033 0.000 0.238 941 S C 1.880 176.631 174.600 0.251 0.000 0.998 941 S CA 0.927 59.253 58.200 0.209 0.000 0.957 941 S CB -0.907 62.346 63.200 0.089 0.000 0.764 941 S HN 0.475 nan 8.310 nan 0.000 0.514 942 C N 0.426 119.897 119.300 0.286 0.000 2.456 942 C HA 0.263 4.704 4.460 -0.033 0.000 0.279 942 C C 1.758 176.790 174.990 0.070 0.000 1.427 942 C CA 0.033 59.140 59.018 0.149 0.000 1.778 942 C CB -1.845 25.895 27.740 -0.000 0.000 1.842 942 C HN 0.674 nan 8.230 nan 0.000 0.531 943 F N 0.198 120.299 119.950 0.251 0.000 2.731 943 F HA 0.276 4.786 4.527 -0.028 0.000 0.298 943 F C 2.159 178.076 175.800 0.195 0.000 1.106 943 F CA 0.650 58.808 58.000 0.264 0.000 1.329 943 F CB -0.127 39.010 39.000 0.229 0.000 1.100 943 F HN 0.089 nan 8.300 nan 0.000 0.592 944 A N -0.881 122.147 122.820 0.347 0.000 2.303 944 A HA 0.209 4.509 4.320 -0.033 0.000 0.217 944 A C -0.150 177.584 177.584 0.251 0.000 1.205 944 A CA 0.067 52.255 52.037 0.252 0.000 0.875 944 A CB -0.189 18.938 19.000 0.210 0.000 0.910 944 A HN 0.193 nan 8.150 nan 0.000 0.501 945 F N -0.032 119.948 119.950 0.050 0.000 2.495 945 F HA 0.565 5.071 4.527 -0.035 0.000 0.327 945 F C 0.674 176.460 175.800 -0.022 0.000 1.103 945 F CA -0.882 57.117 58.000 -0.003 0.000 0.949 945 F CB 1.765 40.748 39.000 -0.028 0.000 1.142 945 F HN 0.006 nan 8.300 nan 0.000 0.457 946 Q N 1.872 121.261 119.800 -0.684 0.000 2.586 946 Q HA 0.064 4.384 4.340 -0.033 0.000 0.243 946 Q C -0.091 175.487 176.000 -0.704 0.000 0.846 946 Q CA 0.118 55.603 55.803 -0.530 0.000 0.959 946 Q CB -0.188 28.389 28.738 -0.268 0.000 1.227 946 Q HN 0.693 nan 8.270 nan 0.000 0.611 947 E N 1.832 121.508 120.200 -0.873 0.000 2.437 947 E HA 0.242 4.572 4.350 -0.033 0.000 0.263 947 E C -0.208 176.070 176.600 -0.537 0.000 1.030 947 E CA 0.393 56.454 56.400 -0.565 0.000 0.934 947 E CB 0.477 29.984 29.700 -0.322 0.000 0.943 947 E HN 0.209 nan 8.360 nan 0.000 0.444 948 R N 1.814 122.182 120.500 -0.220 0.000 2.643 948 R HA 0.786 5.107 4.340 -0.033 0.000 0.272 948 R C 0.123 176.423 176.300 0.000 0.000 0.995 948 R CA -0.024 56.020 56.100 -0.094 0.000 1.032 948 R CB -0.310 29.936 30.300 -0.090 0.000 1.126 948 R HN 1.087 nan 8.270 nan 0.000 0.505 949 C N -1.505 117.814 119.300 0.033 0.000 3.276 949 C HA 0.688 5.128 4.460 -0.033 0.000 0.370 949 C C -0.084 174.910 174.990 0.006 0.000 1.624 949 C CA -1.334 57.706 59.018 0.037 0.000 1.179 949 C CB 0.896 28.691 27.740 0.092 0.000 1.909 949 C HN 1.132 nan 8.230 nan 0.000 0.434 950 K N 1.344 121.743 120.400 -0.000 0.000 2.484 950 K HA 0.108 4.408 4.320 -0.033 0.000 0.280 950 K C 0.204 176.795 176.600 -0.015 0.000 1.013 950 K CA 0.667 56.947 56.287 -0.012 0.000 1.029 950 K CB 0.331 32.821 32.500 -0.016 0.000 0.902 950 K HN 0.688 nan 8.250 nan 0.000 0.481 951 E N 2.206 122.397 120.200 -0.015 0.000 2.558 951 E HA -0.043 4.287 4.350 -0.033 0.000 0.255 951 E C -0.247 176.352 176.600 -0.002 0.000 0.968 951 E CA -0.191 56.203 56.400 -0.011 0.000 0.939 951 E CB 0.583 30.284 29.700 0.002 0.000 0.921 951 E HN 0.566 nan 8.360 nan 0.000 0.477 952 A N 5.215 128.037 122.820 0.002 0.000 2.322 952 A HA 0.363 4.664 4.320 -0.033 0.000 0.269 952 A C -1.924 175.680 177.584 0.034 0.000 1.094 952 A CA -1.308 50.737 52.037 0.013 0.000 0.807 952 A CB -0.131 18.877 19.000 0.013 0.000 1.047 952 A HN 0.404 nan 8.150 nan 0.000 0.487 953 P HA 0.343 nan 4.420 nan 0.000 0.267 953 P C 0.533 177.850 177.300 0.027 0.000 1.201 953 P CA 0.329 63.441 63.100 0.020 0.000 0.775 953 P CB 0.158 31.865 31.700 0.013 0.000 0.854 954 R N 2.432 122.942 120.500 0.017 0.000 2.583 954 R HA 0.072 4.393 4.340 -0.033 0.000 0.274 954 R C 0.250 176.546 176.300 -0.007 0.000 0.998 954 R CA 0.170 56.274 56.100 0.006 0.000 1.081 954 R CB -1.197 29.100 30.300 -0.004 0.000 0.940 954 R HN 0.517 nan 8.270 nan 0.000 0.413 955 L N 2.178 123.385 121.223 -0.026 0.000 2.349 955 L HA 0.434 4.754 4.340 -0.033 0.000 0.275 955 L C 1.511 178.344 176.870 -0.062 0.000 1.115 955 L CA -0.304 54.506 54.840 -0.050 0.000 0.820 955 L CB 0.824 42.837 42.059 -0.078 0.000 1.135 955 L HN 1.022 nan 8.230 nan 0.000 0.445 956 K N 3.958 124.314 120.400 -0.073 0.000 2.230 956 K HA 0.192 4.492 4.320 -0.033 0.000 0.253 956 K C -1.848 174.701 176.600 -0.085 0.000 1.008 956 K CA -0.957 55.289 56.287 -0.069 0.000 0.910 956 K CB -0.786 31.674 32.500 -0.066 0.000 0.994 956 K HN 0.421 nan 8.250 nan 0.000 0.495 957 P HA -0.274 nan 4.420 nan 0.000 0.216 957 P C 1.188 178.444 177.300 -0.073 0.000 1.157 957 P CA 1.697 64.762 63.100 -0.057 0.000 0.880 957 P CB 0.252 31.931 31.700 -0.036 0.000 0.791 958 E N -0.236 119.911 120.200 -0.088 0.000 2.333 958 E HA -0.143 4.187 4.350 -0.033 0.000 0.198 958 E C 1.653 178.169 176.600 -0.140 0.000 1.007 958 E CA 1.170 57.515 56.400 -0.091 0.000 0.845 958 E CB -0.858 28.799 29.700 -0.071 0.000 0.766 958 E HN 0.317 nan 8.360 nan 0.000 0.507 959 L N -0.357 120.754 121.223 -0.187 0.000 2.547 959 L HA 0.276 4.597 4.340 -0.033 0.000 0.218 959 L C 2.525 179.328 176.870 -0.111 0.000 1.048 959 L CA 0.609 55.345 54.840 -0.172 0.000 0.859 959 L CB -0.198 41.710 42.059 -0.253 0.000 1.128 959 L HN 0.084 nan 8.230 nan 0.000 0.483 960 A N -0.179 122.575 122.820 -0.111 0.000 2.015 960 A HA -0.179 4.121 4.320 -0.033 0.000 0.219 960 A C 2.166 179.697 177.584 -0.089 0.000 1.163 960 A CA 1.340 53.312 52.037 -0.107 0.000 0.646 960 A CB -0.270 18.672 19.000 -0.097 0.000 0.806 960 A HN 0.340 nan 8.150 nan 0.000 0.448 961 E N 0.383 120.540 120.200 -0.072 0.000 2.016 961 E HA -0.105 4.226 4.350 -0.033 0.000 0.190 961 E C -0.681 175.884 176.600 -0.057 0.000 0.985 961 E CA 1.573 57.938 56.400 -0.057 0.000 0.802 961 E CB -1.125 28.548 29.700 -0.044 0.000 0.762 961 E HN 0.374 nan 8.360 nan 0.000 0.448 962 P HA -0.128 nan 4.420 nan 0.000 0.218 962 P C 1.721 178.986 177.300 -0.058 0.000 1.148 962 P CA 0.836 63.905 63.100 -0.053 0.000 0.822 962 P CB -0.173 31.512 31.700 -0.025 0.000 0.784 963 L N 0.594 121.781 121.223 -0.060 0.000 1.989 963 L HA -0.158 4.162 4.340 -0.033 0.000 0.211 963 L C 2.249 179.069 176.870 -0.083 0.000 1.071 963 L CA 2.044 56.840 54.840 -0.074 0.000 0.749 963 L CB -1.210 40.776 42.059 -0.122 0.000 0.890 963 L HN -0.189 nan 8.230 nan 0.000 0.431 964 K N -0.643 119.707 120.400 -0.083 0.000 2.147 964 K HA -0.142 4.158 4.320 -0.033 0.000 0.205 964 K C 1.806 178.372 176.600 -0.057 0.000 1.049 964 K CA 1.280 57.526 56.287 -0.069 0.000 0.936 964 K CB -0.156 32.307 32.500 -0.062 0.000 0.722 964 K HN 0.481 nan 8.250 nan 0.000 0.446 965 A N 1.019 123.803 122.820 -0.061 0.000 2.066 965 A HA -0.112 4.188 4.320 -0.033 0.000 0.218 965 A C 1.934 179.478 177.584 -0.067 0.000 1.157 965 A CA 1.326 53.328 52.037 -0.060 0.000 0.670 965 A CB -0.326 18.634 19.000 -0.067 0.000 0.804 965 A HN 0.570 nan 8.150 nan 0.000 0.453 966 M N -2.060 117.494 119.600 -0.077 0.000 2.501 966 M HA 0.234 4.694 4.480 -0.033 0.000 0.261 966 M C 1.504 177.748 176.300 -0.093 0.000 1.129 966 M CA 1.004 56.252 55.300 -0.085 0.000 1.126 966 M CB 0.044 32.597 32.600 -0.079 0.000 1.359 966 M HN 0.086 nan 8.290 nan 0.000 0.471 967 R N 1.219 121.673 120.500 -0.076 0.000 2.148 967 R HA 0.021 4.342 4.340 -0.033 0.000 0.223 967 R C 1.723 178.016 176.300 -0.012 0.000 1.088 967 R CA 1.411 57.481 56.100 -0.049 0.000 0.985 967 R CB -0.539 29.741 30.300 -0.033 0.000 0.880 967 R HN 0.663 nan 8.270 nan 0.000 0.451 968 E N 0.891 121.080 120.200 -0.018 0.000 2.047 968 E HA -0.106 4.224 4.350 -0.033 0.000 0.191 968 E C 2.081 178.688 176.600 0.012 0.000 0.987 968 E CA 0.963 57.362 56.400 -0.002 0.000 0.799 968 E CB -0.105 29.588 29.700 -0.011 0.000 0.752 968 E HN 0.271 nan 8.360 nan 0.000 0.449 969 I N 1.211 121.782 120.570 0.002 0.000 2.361 969 I HA -0.239 3.911 4.170 -0.033 0.000 0.251 969 I C 2.558 178.708 176.117 0.056 0.000 1.133 969 I CA 0.730 62.042 61.300 0.021 0.000 1.413 969 I CB -0.373 37.633 38.000 0.010 0.000 1.073 969 I HN 0.078 nan 8.210 nan 0.000 0.424 970 A N 1.031 123.877 122.820 0.044 0.000 1.877 970 A HA -0.154 4.146 4.320 -0.033 0.000 0.216 970 A C 2.577 180.303 177.584 0.236 0.000 1.186 970 A CA 1.878 54.001 52.037 0.144 0.000 0.620 970 A CB -0.780 18.232 19.000 0.019 0.000 0.822 970 A HN 0.418 nan 8.150 nan 0.000 0.443 971 A N -0.369 122.535 122.820 0.140 0.000 1.933 971 A HA -0.148 4.153 4.320 -0.033 0.000 0.218 971 A C 2.147 179.777 177.584 0.076 0.000 1.175 971 A CA 1.889 53.997 52.037 0.118 0.000 0.628 971 A CB -0.412 18.632 19.000 0.073 0.000 0.814 971 A HN 0.427 nan 8.150 nan 0.000 0.444 972 K N 0.165 120.601 120.400 0.060 0.000 2.147 972 K HA -0.079 4.221 4.320 -0.033 0.000 0.205 972 K C 1.656 178.270 176.600 0.024 0.000 1.049 972 K CA 1.492 57.801 56.287 0.036 0.000 0.936 972 K CB -0.295 32.224 32.500 0.032 0.000 0.722 972 K HN 0.579 nan 8.250 nan 0.000 0.446 973 I N 0.416 121.010 120.570 0.039 0.000 2.480 973 I HA -0.123 4.027 4.170 -0.033 0.000 0.251 973 I C 2.447 178.488 176.117 -0.126 0.000 1.124 973 I CA 0.676 61.963 61.300 -0.022 0.000 1.444 973 I CB -0.279 37.737 38.000 0.028 0.000 1.098 973 I HN 0.074 nan 8.210 nan 0.000 0.428 974 A N 1.133 123.890 122.820 -0.105 0.000 1.902 974 A HA -0.256 4.044 4.320 -0.033 0.000 0.217 974 A C 2.266 179.794 177.584 -0.094 0.000 1.181 974 A CA 1.936 53.858 52.037 -0.190 0.000 0.623 974 A CB -0.405 18.599 19.000 0.007 0.000 0.818 974 A HN 0.231 nan 8.150 nan 0.000 0.443 975 K N 0.356 120.736 120.400 -0.034 0.000 2.026 975 K HA -0.040 4.261 4.320 -0.033 0.000 0.208 975 K C 1.611 178.191 176.600 -0.033 0.000 1.048 975 K CA 1.725 58.000 56.287 -0.021 0.000 0.929 975 K CB -0.561 31.938 32.500 -0.002 0.000 0.713 975 K HN 0.496 nan 8.250 nan 0.000 0.439 976 I N 0.073 120.618 120.570 -0.041 0.000 2.226 976 I HA -0.287 3.863 4.170 -0.033 0.000 0.245 976 I C 2.348 178.433 176.117 -0.054 0.000 1.100 976 I CA 1.389 62.664 61.300 -0.041 0.000 1.374 976 I CB -0.193 37.782 38.000 -0.041 0.000 1.057 976 I HN 0.244 nan 8.210 nan 0.000 0.413 977 M N 0.036 119.581 119.600 -0.092 0.000 2.213 977 M HA -0.219 4.242 4.480 -0.033 0.000 0.263 977 M C 2.220 178.486 176.300 -0.056 0.000 1.062 977 M CA 1.614 56.861 55.300 -0.088 0.000 1.105 977 M CB -0.145 32.353 32.600 -0.170 0.000 1.385 977 M HN -0.022 nan 8.290 nan 0.000 0.417 978 K N 0.545 120.913 120.400 -0.053 0.000 2.044 978 K HA -0.107 4.193 4.320 -0.033 0.000 0.204 978 K C 1.303 177.892 176.600 -0.019 0.000 1.049 978 K CA 1.460 57.728 56.287 -0.031 0.000 0.945 978 K CB -0.213 32.272 32.500 -0.024 0.000 0.724 978 K HN 0.184 nan 8.250 nan 0.000 0.440 979 D N -0.077 120.313 120.400 -0.017 0.000 2.149 979 D HA -0.114 4.507 4.640 -0.033 0.000 0.198 979 D C 1.384 177.680 176.300 -0.007 0.000 0.990 979 D CA 1.202 55.196 54.000 -0.009 0.000 0.839 979 D CB -0.238 40.557 40.800 -0.008 0.000 0.948 979 D HN 0.111 nan 8.370 nan 0.000 0.460 980 S N 0.022 115.717 115.700 -0.008 0.000 2.603 980 S HA -0.020 4.430 4.470 -0.033 0.000 0.229 980 S C 0.547 175.146 174.600 -0.002 0.000 0.972 980 S CA 0.037 58.236 58.200 -0.002 0.000 0.935 980 S CB 0.023 63.225 63.200 0.004 0.000 0.769 980 S HN 0.216 nan 8.310 nan 0.000 0.536 981 K N 0.354 120.750 120.400 -0.007 0.000 3.167 981 K HA -0.154 4.146 4.320 -0.033 0.000 0.272 981 K C -0.580 176.014 176.600 -0.010 0.000 1.137 981 K CA 0.457 56.739 56.287 -0.007 0.000 0.800 981 K CB -2.029 30.468 32.500 -0.004 0.000 1.253 981 K HN 0.428 nan 8.250 nan 0.000 0.497 982 I N 1.554 122.116 120.570 -0.013 0.000 2.428 982 I HA 0.064 4.214 4.170 -0.033 0.000 0.289 982 I C 1.282 177.386 176.117 -0.022 0.000 1.019 982 I CA 0.106 61.396 61.300 -0.017 0.000 1.351 982 I CB 1.054 39.047 38.000 -0.012 0.000 1.412 982 I HN 0.238 nan 8.210 nan 0.000 0.513 983 E N 6.758 126.944 120.200 -0.023 0.000 1.939 983 E HA 0.380 4.710 4.350 -0.033 0.000 0.259 983 E C -0.739 175.848 176.600 -0.021 0.000 1.259 983 E CA 0.084 56.471 56.400 -0.021 0.000 0.971 983 E CB 0.036 29.723 29.700 -0.023 0.000 1.055 983 E HN 0.390 nan 8.360 nan 0.000 0.420 984 V N 2.393 122.296 119.914 -0.018 0.000 2.777 984 V HA 0.286 4.386 4.120 -0.033 0.000 0.306 984 V C -0.158 175.936 176.094 0.001 0.000 1.112 984 V CA -0.877 61.415 62.300 -0.013 0.000 0.917 984 V CB 2.563 34.359 31.823 -0.045 0.000 1.018 984 V HN 0.562 nan 8.190 nan 0.000 0.426 985 V N 4.654 124.581 119.914 0.021 0.000 2.372 985 V HA 0.179 4.279 4.120 -0.033 0.000 0.261 985 V C 1.263 177.396 176.094 0.064 0.000 1.055 985 V CA 0.077 62.395 62.300 0.031 0.000 0.930 985 V CB 0.589 32.426 31.823 0.024 0.000 1.031 985 V HN 1.021 nan 8.190 nan 0.000 0.479 986 E N 3.885 124.117 120.200 0.052 0.000 2.049 986 E HA -0.293 4.038 4.350 -0.033 0.000 0.198 986 E C 2.400 179.078 176.600 0.130 0.000 1.007 986 E CA 1.923 58.372 56.400 0.082 0.000 0.809 986 E CB -0.088 29.641 29.700 0.049 0.000 0.749 986 E HN 0.779 nan 8.360 nan 0.000 0.450 987 K N 1.449 121.899 120.400 0.084 0.000 2.026 987 K HA -0.205 4.096 4.320 -0.033 0.000 0.208 987 K C 1.717 178.365 176.600 0.080 0.000 1.048 987 K CA 2.012 58.345 56.287 0.076 0.000 0.929 987 K CB -0.985 31.541 32.500 0.043 0.000 0.713 987 K HN 0.048 nan 8.250 nan 0.000 0.439 988 D N -1.015 119.424 120.400 0.066 0.000 2.149 988 D HA -0.137 4.483 4.640 -0.033 0.000 0.198 988 D C 1.754 178.084 176.300 0.050 0.000 0.990 988 D CA 1.425 55.449 54.000 0.040 0.000 0.839 988 D CB -0.417 40.398 40.800 0.024 0.000 0.948 988 D HN 0.622 nan 8.370 nan 0.000 0.460 989 Y N 1.339 121.636 120.300 -0.005 0.000 2.181 989 Y HA -0.207 4.321 4.550 -0.037 0.000 0.288 989 Y C 2.223 178.180 175.900 0.095 0.000 1.146 989 Y CA 1.068 59.170 58.100 0.003 0.000 1.164 989 Y CB -0.353 38.135 38.460 0.047 0.000 0.982 989 Y HN -0.209 nan 8.280 nan 0.000 0.515 990 V N 0.492 120.502 119.914 0.159 0.000 2.392 990 V HA -0.294 3.806 4.120 -0.033 0.000 0.249 990 V C 1.905 178.067 176.094 0.114 0.000 1.059 990 V CA 2.404 64.790 62.300 0.143 0.000 1.051 990 V CB -0.480 31.425 31.823 0.138 0.000 0.658 990 V HN 0.366 nan 8.190 nan 0.000 0.455 991 E N -0.735 119.485 120.200 0.034 0.000 2.481 991 E HA -0.067 4.264 4.350 -0.033 0.000 0.195 991 E C 2.217 178.754 176.600 -0.105 0.000 1.047 991 E CA 0.673 57.080 56.400 0.010 0.000 0.867 991 E CB -0.116 29.585 29.700 0.003 0.000 0.858 991 E HN 0.472 nan 8.360 nan 0.000 0.513 992 S N -0.116 115.409 115.700 -0.292 0.000 2.420 992 S HA -0.137 4.314 4.470 -0.033 0.000 0.237 992 S C 0.244 174.456 174.600 -0.647 0.000 1.023 992 S CA 0.738 58.597 58.200 -0.567 0.000 0.991 992 S CB -0.165 62.485 63.200 -0.918 0.000 0.792 992 S HN 0.179 nan 8.310 nan 0.000 0.488 993 F N 3.460 123.258 119.950 -0.254 0.000 2.350 993 F HA 0.491 4.996 4.527 -0.036 0.000 0.365 993 F C 0.583 176.311 175.800 -0.120 0.000 1.122 993 F CA -1.102 56.741 58.000 -0.261 0.000 1.139 993 F CB 0.536 39.266 39.000 -0.450 0.000 1.220 993 F HN -0.193 nan 8.300 nan 0.000 0.499 994 R N 2.972 123.508 120.500 0.059 0.000 2.490 994 R HA 0.106 4.427 4.340 -0.033 0.000 0.280 994 R C 0.890 177.284 176.300 0.157 0.000 1.077 994 R CA -0.199 55.954 56.100 0.088 0.000 1.065 994 R CB 0.035 30.444 30.300 0.182 0.000 1.003 994 R HN 0.782 nan 8.270 nan 0.000 0.470 995 H N -0.489 118.646 119.070 0.109 0.000 2.784 995 H HA 0.247 4.781 4.556 -0.038 0.000 0.273 995 H C -0.208 175.134 175.328 0.023 0.000 1.112 995 H CA -0.195 55.888 56.048 0.058 0.000 1.162 995 H CB 0.477 30.257 29.762 0.030 0.000 1.586 995 H HN 0.427 nan 8.280 nan 0.000 0.548 996 E N 1.352 121.442 120.200 -0.183 0.000 2.401 996 E HA 0.023 4.353 4.350 -0.033 0.000 0.199 996 E C 1.153 177.659 176.600 -0.156 0.000 1.023 996 E CA 0.596 56.906 56.400 -0.150 0.000 0.859 996 E CB 0.207 29.854 29.700 -0.089 0.000 0.780 996 E HN 0.526 nan 8.360 nan 0.000 0.523 997 L N -0.460 120.634 121.223 -0.214 0.000 3.014 997 L HA 0.278 4.599 4.340 -0.033 0.000 0.263 997 L C 1.323 178.142 176.870 -0.085 0.000 1.207 997 L CA -0.193 54.492 54.840 -0.258 0.000 1.017 997 L CB 0.059 41.777 42.059 -0.567 0.000 1.360 997 L HN 0.154 nan 8.230 nan 0.000 0.560 998 M N -0.005 119.604 119.600 0.016 0.000 2.117 998 M HA -0.204 4.257 4.480 -0.033 0.000 0.262 998 M C 2.058 178.426 176.300 0.113 0.000 1.065 998 M CA 1.880 57.230 55.300 0.083 0.000 1.114 998 M CB -0.139 32.517 32.600 0.093 0.000 1.361 998 M HN 0.297 nan 8.290 nan 0.000 0.408 999 E N 0.094 120.344 120.200 0.083 0.000 2.208 999 E HA -0.118 4.212 4.350 -0.033 0.000 0.193 999 E C 1.835 178.543 176.600 0.180 0.000 0.988 999 E CA 0.716 57.190 56.400 0.124 0.000 0.828 999 E CB 0.310 30.051 29.700 0.069 0.000 0.763 999 E HN 0.252 nan 8.360 nan 0.000 0.478 1000 V N 0.257 120.236 119.914 0.109 0.000 2.379 1000 V HA -0.199 3.902 4.120 -0.033 0.000 0.245 1000 V C 2.274 178.521 176.094 0.257 0.000 1.044 1000 V CA 1.237 63.611 62.300 0.122 0.000 1.036 1000 V CB 0.020 31.834 31.823 -0.015 0.000 0.664 1000 V HN 0.202 nan 8.190 nan 0.000 0.453 1001 V N -1.078 118.975 119.914 0.232 0.000 2.453 1001 V HA -0.243 3.857 4.120 -0.033 0.000 0.247 1001 V C 2.155 178.498 176.094 0.415 0.000 1.048 1001 V CA 1.965 64.495 62.300 0.384 0.000 1.049 1001 V CB -0.817 31.164 31.823 0.263 0.000 0.672 1001 V HN 0.613 nan 8.190 nan 0.000 0.457 1002 Y N 1.632 122.054 120.300 0.203 0.000 2.070 1002 Y HA -0.247 4.285 4.550 -0.031 0.000 0.280 1002 Y C 2.692 178.690 175.900 0.163 0.000 1.148 1002 Y CA 2.123 60.319 58.100 0.161 0.000 1.125 1002 Y CB -0.211 38.315 38.460 0.111 0.000 0.975 1002 Y HN 0.233 nan 8.280 nan 0.000 0.492 1003 E N -0.422 119.906 120.200 0.213 0.000 2.077 1003 E HA -0.287 4.044 4.350 -0.033 0.000 0.193 1003 E C 2.187 178.852 176.600 0.109 0.000 0.989 1003 E CA 1.331 57.790 56.400 0.099 0.000 0.800 1003 E CB -1.192 28.610 29.700 0.169 0.000 0.746 1003 E HN 0.761 nan 8.360 nan 0.000 0.452 1004 W N 1.102 122.444 121.300 0.070 0.000 2.350 1004 W HA -0.211 4.430 4.660 -0.033 0.000 0.289 1004 W C 1.538 178.048 176.519 -0.014 0.000 1.215 1004 W CA 1.127 58.504 57.345 0.053 0.000 1.236 1004 W CB -0.319 29.230 29.460 0.148 0.000 1.130 1004 W HN 0.043 nan 8.180 nan 0.000 0.541 1005 C N 0.708 120.040 119.300 0.054 0.000 2.522 1005 C HA 0.074 4.515 4.460 -0.033 0.000 0.271 1005 C C 2.128 177.003 174.990 -0.192 0.000 1.425 1005 C CA 0.412 59.384 59.018 -0.077 0.000 1.751 1005 C CB -1.135 26.632 27.740 0.045 0.000 1.775 1005 C HN 0.209 nan 8.230 nan 0.000 0.557 1006 R N 0.096 120.467 120.500 -0.216 0.000 2.393 1006 R HA 0.257 4.578 4.340 -0.033 0.000 0.244 1006 R C 1.540 177.721 176.300 -0.197 0.000 0.920 1006 R CA 0.699 56.668 56.100 -0.218 0.000 1.076 1006 R CB 0.242 30.391 30.300 -0.253 0.000 1.119 1006 R HN 0.504 nan 8.270 nan 0.000 0.524 1007 G N 0.547 109.184 108.800 -0.272 0.000 2.201 1007 G HA2 -0.266 3.674 3.960 -0.033 0.000 0.212 1007 G HA3 -0.266 3.674 3.960 -0.033 0.000 0.212 1007 G C 0.334 175.086 174.900 -0.247 0.000 0.994 1007 G CA -0.196 44.734 45.100 -0.283 0.000 0.644 1007 G HN 0.462 nan 8.290 nan 0.000 0.508 1008 A N 0.735 123.459 122.820 -0.160 0.000 2.555 1008 A HA 0.539 4.839 4.320 -0.033 0.000 0.233 1008 A C 0.981 178.563 177.584 -0.005 0.000 1.060 1008 A CA 1.570 53.587 52.037 -0.033 0.000 0.759 1008 A CB 0.083 19.126 19.000 0.072 0.000 0.995 1008 A HN 0.895 nan 8.150 nan 0.000 0.506 1009 T N 1.869 116.470 114.554 0.078 0.000 2.868 1009 T HA 0.229 4.559 4.350 -0.033 0.000 0.292 1009 T C 0.997 175.938 174.700 0.402 0.000 1.028 1009 T CA 0.096 62.303 62.100 0.179 0.000 1.059 1009 T CB 0.340 69.284 68.868 0.126 0.000 0.991 1009 T HN 0.525 nan 8.240 nan 0.000 0.531 1010 F N 1.921 122.114 119.950 0.406 0.000 2.134 1010 F HA -0.135 4.373 4.527 -0.032 0.000 0.299 1010 F C 2.505 178.409 175.800 0.174 0.000 1.097 1010 F CA 1.638 59.836 58.000 0.329 0.000 1.264 1010 F CB -0.887 38.250 39.000 0.229 0.000 1.001 1010 F HN 0.588 nan 8.300 nan 0.000 0.479 1011 T N -0.094 114.569 114.554 0.182 0.000 2.881 1011 T HA -0.217 4.114 4.350 -0.033 0.000 0.270 1011 T C 1.810 176.507 174.700 -0.005 0.000 1.068 1011 T CA 1.649 63.779 62.100 0.049 0.000 1.131 1011 T CB -0.237 68.692 68.868 0.102 0.000 0.871 1011 T HN 0.436 nan 8.240 nan 0.000 0.479 1012 Q N 0.239 120.066 119.800 0.045 0.000 2.163 1012 Q HA 0.112 4.433 4.340 -0.033 0.000 0.198 1012 Q C 2.506 178.515 176.000 0.015 0.000 0.954 1012 Q CA 0.902 56.727 55.803 0.037 0.000 0.851 1012 Q CB -0.239 28.539 28.738 0.067 0.000 0.928 1012 Q HN 0.707 nan 8.270 nan 0.000 0.459 1013 I N -2.712 117.873 120.570 0.025 0.000 2.617 1013 I HA -0.117 4.033 4.170 -0.033 0.000 0.256 1013 I C 1.853 177.885 176.117 -0.141 0.000 1.167 1013 I CA 0.598 61.899 61.300 0.002 0.000 1.469 1013 I CB -0.377 37.694 38.000 0.119 0.000 1.098 1013 I HN 0.067 nan 8.210 nan 0.000 0.436 1014 C N 1.524 120.652 119.300 -0.286 0.000 2.432 1014 C HA -0.029 4.412 4.460 -0.033 0.000 0.282 1014 C C 2.516 177.407 174.990 -0.165 0.000 1.388 1014 C CA 0.913 59.742 59.018 -0.316 0.000 1.777 1014 C CB -1.201 26.286 27.740 -0.422 0.000 1.882 1014 C HN 0.491 nan 8.230 nan 0.000 0.520 1015 K N -0.124 120.212 120.400 -0.106 0.000 2.444 1015 K HA 0.189 4.489 4.320 -0.033 0.000 0.193 1015 K C 1.620 178.191 176.600 -0.049 0.000 1.024 1015 K CA 0.439 56.687 56.287 -0.064 0.000 1.077 1015 K CB 0.018 32.498 32.500 -0.035 0.000 0.833 1015 K HN 0.530 nan 8.250 nan 0.000 0.517 1016 M N -0.079 119.491 119.600 -0.051 0.000 2.541 1016 M HA 0.012 4.472 4.480 -0.033 0.000 0.252 1016 M C 0.670 176.940 176.300 -0.049 0.000 1.125 1016 M CA 0.638 55.919 55.300 -0.031 0.000 1.091 1016 M CB 0.728 33.324 32.600 -0.006 0.000 1.420 1016 M HN -0.060 nan 8.290 nan 0.000 0.486 1017 T N -1.077 113.431 114.554 -0.076 0.000 2.843 1017 T HA 0.204 4.535 4.350 -0.033 0.000 0.302 1017 T C -0.760 173.884 174.700 -0.094 0.000 1.232 1017 T CA -0.734 61.316 62.100 -0.083 0.000 1.009 1017 T CB 1.581 70.385 68.868 -0.107 0.000 1.254 1017 T HN -0.011 nan 8.240 nan 0.000 0.504 1018 D N 1.247 121.599 120.400 -0.080 0.000 2.340 1018 D HA 0.188 4.809 4.640 -0.033 0.000 0.217 1018 D C 0.422 176.663 176.300 -0.099 0.000 1.081 1018 D CA 0.274 54.215 54.000 -0.098 0.000 0.842 1018 D CB 0.479 41.237 40.800 -0.070 0.000 0.934 1018 D HN 0.236 nan 8.370 nan 0.000 0.511 1019 V N 1.950 121.827 119.914 -0.061 0.000 2.508 1019 V HA -0.009 4.091 4.120 -0.033 0.000 0.281 1019 V C 0.311 176.415 176.094 0.017 0.000 1.041 1019 V CA -0.512 61.800 62.300 0.020 0.000 1.016 1019 V CB -0.011 31.824 31.823 0.020 0.000 0.984 1019 V HN 0.074 nan 8.190 nan 0.000 0.478 1020 Y N 3.138 123.465 120.300 0.045 0.000 2.805 1020 Y HA -0.089 4.440 4.550 -0.034 0.000 0.337 1020 Y C 1.590 177.547 175.900 0.095 0.000 1.252 1020 Y CA 0.443 58.588 58.100 0.075 0.000 1.515 1020 Y CB 0.354 38.880 38.460 0.110 0.000 1.305 1020 Y HN 0.709 nan 8.280 nan 0.000 0.600 1021 E N 1.982 122.346 120.200 0.273 0.000 2.086 1021 E HA -0.232 4.098 4.350 -0.033 0.000 0.200 1021 E C 2.265 179.071 176.600 0.343 0.000 1.012 1021 E CA 1.785 58.394 56.400 0.348 0.000 0.812 1021 E CB -0.434 29.515 29.700 0.414 0.000 0.743 1021 E HN 0.950 nan 8.360 nan 0.000 0.453 1022 G N -0.173 108.798 108.800 0.284 0.000 2.440 1022 G HA2 -0.297 3.643 3.960 -0.033 0.000 0.218 1022 G HA3 -0.297 3.643 3.960 -0.033 0.000 0.218 1022 G C 1.739 176.744 174.900 0.175 0.000 1.154 1022 G CA 1.110 46.324 45.100 0.190 0.000 0.767 1022 G HN 0.255 nan 8.290 nan 0.000 0.552 1023 S N 0.391 116.213 115.700 0.203 0.000 2.368 1023 S HA 0.007 4.457 4.470 -0.033 0.000 0.224 1023 S C 2.304 176.990 174.600 0.144 0.000 1.029 1023 S CA 0.727 59.034 58.200 0.179 0.000 0.988 1023 S CB -0.238 63.092 63.200 0.217 0.000 0.838 1023 S HN 0.316 nan 8.310 nan 0.000 0.462 1024 L N 1.195 122.498 121.223 0.133 0.000 1.970 1024 L HA -0.161 4.159 4.340 -0.033 0.000 0.212 1024 L C 2.290 179.228 176.870 0.114 0.000 1.071 1024 L CA 1.438 56.308 54.840 0.050 0.000 0.751 1024 L CB -0.628 41.518 42.059 0.146 0.000 0.889 1024 L HN 0.305 nan 8.230 nan 0.000 0.432 1025 I N -0.689 120.015 120.570 0.223 0.000 2.163 1025 I HA -0.327 3.824 4.170 -0.033 0.000 0.243 1025 I C 2.778 178.990 176.117 0.158 0.000 1.085 1025 I CA 1.357 62.773 61.300 0.193 0.000 1.347 1025 I CB -0.435 37.608 38.000 0.071 0.000 1.044 1025 I HN 0.264 nan 8.210 nan 0.000 0.408 1026 R N 0.515 121.089 120.500 0.124 0.000 2.105 1026 R HA -0.219 4.102 4.340 -0.033 0.000 0.239 1026 R C 2.319 178.687 176.300 0.114 0.000 1.135 1026 R CA 1.958 58.126 56.100 0.113 0.000 0.967 1026 R CB -0.375 29.988 30.300 0.106 0.000 0.861 1026 R HN 0.444 nan 8.270 nan 0.000 0.442 1027 M N -1.667 117.984 119.600 0.085 0.000 2.334 1027 M HA 0.059 4.519 4.480 -0.033 0.000 0.266 1027 M C 1.419 177.731 176.300 0.020 0.000 1.082 1027 M CA 1.603 56.935 55.300 0.054 0.000 1.141 1027 M CB -0.361 32.261 32.600 0.036 0.000 1.380 1027 M HN -0.163 nan 8.290 nan 0.000 0.440 1028 F N 1.513 121.482 119.950 0.031 0.000 2.134 1028 F HA 0.012 4.520 4.527 -0.031 0.000 0.299 1028 F C 2.195 178.028 175.800 0.054 0.000 1.097 1028 F CA 1.508 59.513 58.000 0.008 0.000 1.264 1028 F CB -0.641 38.301 39.000 -0.097 0.000 1.001 1028 F HN 0.197 nan 8.300 nan 0.000 0.479 1029 K N -0.403 120.144 120.400 0.245 0.000 2.148 1029 K HA -0.146 4.154 4.320 -0.033 0.000 0.204 1029 K C 2.228 178.918 176.600 0.151 0.000 1.050 1029 K CA 0.935 57.329 56.287 0.178 0.000 0.942 1029 K CB -0.138 32.443 32.500 0.135 0.000 0.724 1029 K HN 0.154 nan 8.250 nan 0.000 0.446 1030 R N 0.868 121.454 120.500 0.144 0.000 2.115 1030 R HA -0.077 4.244 4.340 -0.033 0.000 0.226 1030 R C 2.176 178.561 176.300 0.142 0.000 1.100 1030 R CA 0.630 56.809 56.100 0.131 0.000 0.980 1030 R CB -0.065 30.313 30.300 0.130 0.000 0.875 1030 R HN 0.057 nan 8.270 nan 0.000 0.445 1031 L N 1.714 123.035 121.223 0.163 0.000 2.056 1031 L HA -0.096 4.224 4.340 -0.033 0.000 0.207 1031 L C 1.595 178.558 176.870 0.155 0.000 1.078 1031 L CA 1.831 56.774 54.840 0.173 0.000 0.749 1031 L CB -0.495 41.689 42.059 0.210 0.000 0.901 1031 L HN 0.202 nan 8.230 nan 0.000 0.433 1032 E N -0.571 119.731 120.200 0.170 0.000 2.058 1032 E HA -0.287 4.043 4.350 -0.033 0.000 0.194 1032 E C 2.077 178.728 176.600 0.086 0.000 0.997 1032 E CA 1.493 57.974 56.400 0.134 0.000 0.801 1032 E CB -0.162 29.634 29.700 0.159 0.000 0.746 1032 E HN 0.603 nan 8.360 nan 0.000 0.450 1033 E N 0.495 120.749 120.200 0.090 0.000 2.058 1033 E HA -0.216 4.114 4.350 -0.033 0.000 0.194 1033 E C 2.133 178.767 176.600 0.058 0.000 0.997 1033 E CA 0.683 57.123 56.400 0.067 0.000 0.801 1033 E CB 0.001 29.747 29.700 0.076 0.000 0.746 1033 E HN 0.064 nan 8.360 nan 0.000 0.450 1034 L N 0.312 121.578 121.223 0.072 0.000 2.046 1034 L HA -0.158 4.162 4.340 -0.033 0.000 0.208 1034 L C 2.200 179.077 176.870 0.013 0.000 1.077 1034 L CA 1.362 56.235 54.840 0.054 0.000 0.747 1034 L CB -0.444 41.663 42.059 0.080 0.000 0.896 1034 L HN 0.011 nan 8.230 nan 0.000 0.432 1035 V N -0.374 119.551 119.914 0.018 0.000 2.343 1035 V HA -0.290 3.810 4.120 -0.033 0.000 0.247 1035 V C 2.539 178.619 176.094 -0.023 0.000 1.051 1035 V CA 1.948 64.238 62.300 -0.016 0.000 1.036 1035 V CB -0.674 31.156 31.823 0.012 0.000 0.654 1035 V HN 0.457 nan 8.190 nan 0.000 0.451 1036 K N -0.132 120.267 120.400 -0.003 0.000 2.147 1036 K HA -0.202 4.098 4.320 -0.033 0.000 0.205 1036 K C 2.082 178.676 176.600 -0.010 0.000 1.049 1036 K CA 1.639 57.919 56.287 -0.010 0.000 0.936 1036 K CB -0.147 32.351 32.500 -0.004 0.000 0.722 1036 K HN 0.588 nan 8.250 nan 0.000 0.446 1037 E N 0.627 120.826 120.200 -0.002 0.000 2.112 1037 E HA -0.058 4.272 4.350 -0.033 0.000 0.190 1037 E C 1.552 178.143 176.600 -0.016 0.000 0.979 1037 E CA 0.555 56.956 56.400 0.003 0.000 0.814 1037 E CB 0.102 29.815 29.700 0.021 0.000 0.762 1037 E HN 0.216 nan 8.360 nan 0.000 0.460 1038 L N 0.845 122.042 121.223 -0.044 0.000 2.610 1038 L HA -0.020 4.300 4.340 -0.033 0.000 0.232 1038 L C 1.630 178.448 176.870 -0.086 0.000 1.149 1038 L CA 0.026 54.816 54.840 -0.085 0.000 0.872 1038 L CB 0.166 42.129 42.059 -0.160 0.000 0.992 1038 L HN 0.055 nan 8.230 nan 0.000 0.447 1039 V N -1.144 118.735 119.914 -0.057 0.000 2.788 1039 V HA -0.065 4.035 4.120 -0.033 0.000 0.241 1039 V C 1.624 177.697 176.094 -0.035 0.000 1.083 1039 V CA 0.874 63.143 62.300 -0.051 0.000 1.103 1039 V CB 0.136 31.933 31.823 -0.044 0.000 0.800 1039 V HN 0.281 nan 8.190 nan 0.000 0.476 1040 D N 0.305 120.692 120.400 -0.022 0.000 2.263 1040 D HA -0.122 4.498 4.640 -0.033 0.000 0.208 1040 D C 1.963 178.259 176.300 -0.006 0.000 0.971 1040 D CA 0.915 54.909 54.000 -0.010 0.000 0.867 1040 D CB -0.056 40.745 40.800 0.001 0.000 0.929 1040 D HN 0.269 nan 8.370 nan 0.000 0.492 1041 V N 0.768 120.676 119.914 -0.011 0.000 2.302 1041 V HA -0.113 3.987 4.120 -0.033 0.000 0.243 1041 V C 2.370 178.448 176.094 -0.026 0.000 1.036 1041 V CA 1.564 63.863 62.300 -0.003 0.000 1.020 1041 V CB -0.634 31.191 31.823 0.004 0.000 0.657 1041 V HN 0.209 nan 8.190 nan 0.000 0.453 1042 A N 0.037 122.827 122.820 -0.050 0.000 2.131 1042 A HA -0.227 4.074 4.320 -0.033 0.000 0.220 1042 A C 1.957 179.512 177.584 -0.049 0.000 1.158 1042 A CA 1.913 53.911 52.037 -0.066 0.000 0.665 1042 A CB -0.678 18.276 19.000 -0.077 0.000 0.795 1042 A HN 0.585 nan 8.150 nan 0.000 0.460 1043 N N -0.034 118.646 118.700 -0.033 0.000 2.135 1043 N HA -0.095 4.626 4.740 -0.033 0.000 0.186 1043 N C 1.666 177.167 175.510 -0.016 0.000 1.027 1043 N CA 1.957 54.993 53.050 -0.023 0.000 0.849 1043 N CB -0.461 38.016 38.487 -0.016 0.000 1.002 1043 N HN 0.599 nan 8.380 nan 0.000 0.425 1044 T N -2.218 112.331 114.554 -0.009 0.000 3.272 1044 T HA 0.285 4.616 4.350 -0.033 0.000 0.250 1044 T C 1.309 176.009 174.700 -0.000 0.000 1.082 1044 T CA 0.120 62.222 62.100 0.003 0.000 0.968 1044 T CB -0.287 68.593 68.868 0.019 0.000 1.015 1044 T HN 0.131 nan 8.240 nan 0.000 0.563 1045 I N -0.533 120.021 120.570 -0.027 0.000 4.730 1045 I HA 0.305 4.456 4.170 -0.033 0.000 0.332 1045 I C 1.620 177.702 176.117 -0.058 0.000 1.299 1045 I CA -0.003 61.264 61.300 -0.054 0.000 1.294 1045 I CB 0.503 38.428 38.000 -0.124 0.000 1.317 1045 I HN 0.449 nan 8.210 nan 0.000 0.457 1046 G N 2.815 111.588 108.800 -0.045 0.000 2.221 1046 G HA2 -0.301 3.639 3.960 -0.033 0.000 0.265 1046 G HA3 -0.301 3.639 3.960 -0.033 0.000 0.265 1046 G C 0.081 174.951 174.900 -0.050 0.000 1.041 1046 G CA 0.333 45.410 45.100 -0.039 0.000 0.807 1046 G HN 0.356 nan 8.290 nan 0.000 0.502 1047 N N 0.655 119.316 118.700 -0.065 0.000 3.083 1047 N HA 0.379 5.100 4.740 -0.033 0.000 0.260 1047 N C 1.638 177.116 175.510 -0.053 0.000 1.163 1047 N CA 0.410 53.419 53.050 -0.068 0.000 1.060 1047 N CB 0.148 38.576 38.487 -0.098 0.000 1.345 1047 N HN 0.161 nan 8.380 nan 0.000 0.515 1048 S N 0.268 115.944 115.700 -0.040 0.000 2.380 1048 S HA -0.213 4.238 4.470 -0.033 0.000 0.229 1048 S C 1.941 176.522 174.600 -0.031 0.000 1.043 1048 S CA 1.553 59.733 58.200 -0.032 0.000 1.038 1048 S CB -0.222 62.963 63.200 -0.025 0.000 0.872 1048 S HN 0.661 nan 8.310 nan 0.000 0.456 1049 S N 0.903 116.586 115.700 -0.029 0.000 2.370 1049 S HA -0.115 4.335 4.470 -0.033 0.000 0.226 1049 S C 1.794 176.379 174.600 -0.027 0.000 1.033 1049 S CA 1.238 59.425 58.200 -0.022 0.000 1.011 1049 S CB -0.369 62.822 63.200 -0.016 0.000 0.852 1049 S HN 0.357 nan 8.310 nan 0.000 0.457 1050 L N 1.762 122.960 121.223 -0.041 0.000 2.068 1050 L HA 0.194 4.514 4.340 -0.033 0.000 0.204 1050 L C 2.368 179.194 176.870 -0.074 0.000 1.076 1050 L CA 2.007 56.812 54.840 -0.060 0.000 0.753 1050 L CB -0.875 41.138 42.059 -0.077 0.000 0.910 1050 L HN 0.274 nan 8.230 nan 0.000 0.439 1051 K N -0.331 120.030 120.400 -0.064 0.000 2.074 1051 K HA -0.251 4.050 4.320 -0.033 0.000 0.209 1051 K C 2.029 178.600 176.600 -0.049 0.000 1.048 1051 K CA 2.064 58.315 56.287 -0.059 0.000 0.926 1051 K CB -0.102 32.370 32.500 -0.047 0.000 0.713 1051 K HN 0.496 nan 8.250 nan 0.000 0.444 1052 E N 1.616 121.793 120.200 -0.039 0.000 2.077 1052 E HA -0.242 4.088 4.350 -0.033 0.000 0.193 1052 E C 1.806 178.388 176.600 -0.030 0.000 0.989 1052 E CA 1.796 58.178 56.400 -0.029 0.000 0.800 1052 E CB -0.537 29.150 29.700 -0.022 0.000 0.746 1052 E HN 0.513 nan 8.360 nan 0.000 0.452 1053 K N -1.310 119.070 120.400 -0.033 0.000 2.097 1053 K HA -0.098 4.202 4.320 -0.033 0.000 0.206 1053 K C 2.248 178.820 176.600 -0.048 0.000 1.049 1053 K CA 1.665 57.934 56.287 -0.030 0.000 0.933 1053 K CB -0.161 32.325 32.500 -0.024 0.000 0.717 1053 K HN 0.299 nan 8.250 nan 0.000 0.442 1054 M N 1.318 120.872 119.600 -0.076 0.000 2.200 1054 M HA -0.061 4.399 4.480 -0.033 0.000 0.265 1054 M C 1.479 177.750 176.300 -0.048 0.000 1.066 1054 M CA 1.562 56.809 55.300 -0.088 0.000 1.127 1054 M CB 0.041 32.569 32.600 -0.120 0.000 1.379 1054 M HN 0.140 nan 8.290 nan 0.000 0.420 1055 E N -0.744 119.432 120.200 -0.040 0.000 2.153 1055 E HA -0.152 4.179 4.350 -0.033 0.000 0.194 1055 E C 1.910 178.501 176.600 -0.015 0.000 0.988 1055 E CA 1.108 57.491 56.400 -0.028 0.000 0.811 1055 E CB -0.182 29.502 29.700 -0.028 0.000 0.746 1055 E HN 0.547 nan 8.360 nan 0.000 0.466 1056 A N 0.689 123.500 122.820 -0.014 0.000 1.929 1056 A HA -0.095 4.206 4.320 -0.033 0.000 0.216 1056 A C 2.421 180.010 177.584 0.008 0.000 1.176 1056 A CA 0.756 52.790 52.037 -0.005 0.000 0.628 1056 A CB -0.370 18.627 19.000 -0.005 0.000 0.816 1056 A HN 0.106 nan 8.150 nan 0.000 0.444 1057 V N -0.362 119.559 119.914 0.012 0.000 2.407 1057 V HA -0.214 3.886 4.120 -0.033 0.000 0.248 1057 V C 2.465 178.596 176.094 0.062 0.000 1.055 1057 V CA 1.854 64.178 62.300 0.040 0.000 1.049 1057 V CB -0.643 31.199 31.823 0.032 0.000 0.662 1057 V HN 0.547 nan 8.190 nan 0.000 0.455 1058 L N 0.025 121.272 121.223 0.041 0.000 2.046 1058 L HA -0.158 4.162 4.340 -0.033 0.000 0.208 1058 L C 2.392 179.310 176.870 0.081 0.000 1.077 1058 L CA 1.951 56.825 54.840 0.056 0.000 0.747 1058 L CB -0.639 41.425 42.059 0.009 0.000 0.896 1058 L HN 0.254 nan 8.230 nan 0.000 0.432 1059 K N -0.994 119.435 120.400 0.048 0.000 2.057 1059 K HA -0.118 4.182 4.320 -0.033 0.000 0.206 1059 K C 2.060 178.682 176.600 0.038 0.000 1.050 1059 K CA 1.312 57.627 56.287 0.047 0.000 0.935 1059 K CB -0.283 32.224 32.500 0.012 0.000 0.715 1059 K HN 0.286 nan 8.250 nan 0.000 0.439 1060 L N 0.788 122.025 121.223 0.023 0.000 2.046 1060 L HA -0.190 4.130 4.340 -0.033 0.000 0.208 1060 L C 2.344 179.227 176.870 0.022 0.000 1.077 1060 L CA 1.216 56.047 54.840 -0.016 0.000 0.747 1060 L CB -0.345 41.713 42.059 -0.002 0.000 0.896 1060 L HN 0.182 nan 8.230 nan 0.000 0.432 1061 I N -1.467 119.191 120.570 0.148 0.000 2.235 1061 I HA -0.205 3.946 4.170 -0.033 0.000 0.241 1061 I C 1.144 177.413 176.117 0.253 0.000 1.085 1061 I CA 0.386 61.850 61.300 0.274 0.000 1.378 1061 I CB -0.151 38.010 38.000 0.269 0.000 1.076 1061 I HN 0.162 nan 8.210 nan 0.000 0.415 1062 H N 3.723 122.851 119.070 0.096 0.000 3.330 1062 H HA 0.178 4.715 4.556 -0.033 0.000 0.260 1062 H C -0.053 175.304 175.328 0.048 0.000 1.439 1062 H CA -0.014 56.074 56.048 0.067 0.000 1.540 1062 H CB -0.317 29.470 29.762 0.042 0.000 1.698 1062 H HN 0.241 nan 8.280 nan 0.000 0.516 1063 R N 2.377 122.822 120.500 -0.092 0.000 2.728 1063 R HA 0.347 4.668 4.340 -0.033 0.000 0.274 1063 R C -0.904 175.394 176.300 -0.003 0.000 1.032 1063 R CA -0.463 55.584 56.100 -0.088 0.000 0.866 1063 R CB 0.770 31.006 30.300 -0.107 0.000 1.263 1063 R HN 0.531 nan 8.270 nan 0.000 0.475 1064 D N -0.171 120.207 120.400 -0.037 0.000 3.393 1064 D HA -0.313 4.307 4.640 -0.033 0.000 0.178 1064 D C 0.572 176.854 176.300 -0.030 0.000 1.201 1064 D CA 2.068 56.078 54.000 0.018 0.000 1.086 1064 D CB -0.574 40.324 40.800 0.164 0.000 0.568 1064 D HN 0.588 nan 8.370 nan 0.000 0.637 1065 I N -0.184 120.360 120.570 -0.044 0.000 2.614 1065 I HA -0.034 4.116 4.170 -0.033 0.000 0.258 1065 I C 2.054 178.023 176.117 -0.246 0.000 1.189 1065 I CA 0.945 62.116 61.300 -0.216 0.000 1.462 1065 I CB -0.152 37.567 38.000 -0.469 0.000 1.092 1065 I HN 0.372 nan 8.210 nan 0.000 0.442 1066 V N 0.381 120.164 119.914 -0.217 0.000 2.515 1066 V HA -0.191 3.909 4.120 -0.033 0.000 0.250 1066 V C 2.260 178.239 176.094 -0.193 0.000 1.058 1066 V CA 1.905 64.068 62.300 -0.229 0.000 1.064 1066 V CB -0.892 30.753 31.823 -0.297 0.000 0.675 1066 V HN 0.694 nan 8.190 nan 0.000 0.461 1067 S N -0.347 115.184 115.700 -0.281 0.000 2.556 1067 S HA 0.423 4.874 4.470 -0.033 0.000 0.216 1067 S C 0.932 175.411 174.600 -0.201 0.000 0.970 1067 S CA 0.231 58.145 58.200 -0.476 0.000 0.912 1067 S CB -0.037 62.579 63.200 -0.974 0.000 0.790 1067 S HN 0.475 nan 8.310 nan 0.000 0.504 1068 A N 1.394 124.133 122.820 -0.134 0.000 2.520 1068 A HA 0.591 4.891 4.320 -0.033 0.000 0.235 1068 A C 0.904 178.470 177.584 -0.030 0.000 1.065 1068 A CA 0.167 52.158 52.037 -0.076 0.000 0.764 1068 A CB -0.399 18.550 19.000 -0.085 0.000 1.002 1068 A HN 0.576 nan 8.150 nan 0.000 0.502 1069 G N 0.368 109.165 108.800 -0.005 0.000 2.535 1069 G HA2 0.497 4.437 3.960 -0.033 0.000 0.303 1069 G HA3 0.497 4.437 3.960 -0.033 0.000 0.303 1069 G C 0.049 174.972 174.900 0.038 0.000 1.237 1069 G CA -0.241 44.874 45.100 0.025 0.000 0.986 1069 G HN 0.822 nan 8.290 nan 0.000 0.494 1070 S N -0.911 114.831 115.700 0.069 0.000 2.610 1070 S HA 0.220 4.671 4.470 -0.033 0.000 0.273 1070 S C 1.669 176.350 174.600 0.135 0.000 1.274 1070 S CA -0.640 57.633 58.200 0.121 0.000 1.023 1070 S CB 1.505 64.795 63.200 0.151 0.000 0.962 1070 S HN 0.419 nan 8.310 nan 0.000 0.523 1071 L N 0.635 121.957 121.223 0.164 0.000 2.056 1071 L HA -0.115 4.206 4.340 -0.033 0.000 0.207 1071 L C 1.824 178.734 176.870 0.067 0.000 1.078 1071 L CA 1.455 56.329 54.840 0.056 0.000 0.749 1071 L CB -0.593 41.435 42.059 -0.052 0.000 0.901 1071 L HN 0.729 nan 8.230 nan 0.000 0.433 1072 Y N 0.521 120.855 120.300 0.057 0.000 2.070 1072 Y HA -0.191 4.340 4.550 -0.033 0.000 0.280 1072 Y C 1.203 177.158 175.900 0.093 0.000 1.148 1072 Y CA 0.644 58.789 58.100 0.075 0.000 1.125 1072 Y CB -0.509 38.007 38.460 0.094 0.000 0.975 1072 Y HN 0.102 nan 8.280 nan 0.000 0.492 1073 L N 0.000 121.399 121.223 0.294 0.000 2.949 1073 L HA 0.000 4.320 4.340 -0.033 0.000 0.249 1073 L CA 0.000 54.989 54.840 0.249 0.000 0.813 1073 L CB 0.000 42.221 42.059 0.270 0.000 0.961 1073 L HN 0.000 nan 8.230 nan 0.000 0.502