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 1w8j_1_D DATA FIRST_RESID 5 DATA SEQUENCE ELYTKYARVW IPDPEEVWKS AELLKDYKPG DKVLQLRLXX XXDLEYCLDP DATA SEQUENCE KTKELPPLRN PDILVGENDL TALSYLHEPA VLHNLKVRFI DSKLIYTYCG DATA SEQUENCE IVLVAINPYE QLPIYGEDII NAYSGQNMGD MDPHIFAVAE EAYKQMARDE DATA SEQUENCE RNQSIIVSGE SGAGKTVSAK YAMRYFATVS GSAXXXNVEE KVLASNPIME DATA SEQUENCE SIGNAKTTRN DNSSRFGKYI EIGFDKRYRI IGANMRTYLL EKSRVVFQAE DATA SEQUENCE EERNYHIFYQ LCASAALPEF KTLRLGNANY FHYTKQGGSP VIDGIDDAKE DATA SEQUENCE MVNTRQACTL LGISDSYQMG IFRILAGILH LGNVEFASRD SDSCAIPPKH DATA SEQUENCE DPLTIFCDLM GVDYEEMAHW LCHRKLATAT ETYIKPISKL HAINARDALA DATA SEQUENCE KHIYANLFNW IVDHVNKALH STVKQHSFIG VLDIYGFETF EINSFEQFCI DATA SEQUENCE NYANEKLQQQ FNMHVFKLEQ EEYMKEQIPX XXXDFYDNQP CINLIEAKMG DATA SEQUENCE VLDLLDEECK MPKGSDDTWA QKLYNTHLNK CALFEKPRLS NKAFIIKHFA DATA SEQUENCE DKVEYQCEGF LEKNKDTVYE EQIKVLKSSK KFKLLPELFX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXTSKEHKK TVGHQFRNSL HLLMETLNAT DATA SEQUENCE TPHYVRCIKP NDFKFPFTFD EKRAVQQLRA CGVLETIRIS AAGFPSRWTY DATA SEQUENCE QEFFSRYRVL MKQKDVLSDR KQTCKNVLEK LILDKDKYQF GKTKIFFRAG DATA SEQUENCE QVAYLEKIRA DK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.682 176.600 0.137 0.000 1.382 5 E CA 0.000 56.496 56.400 0.160 0.000 0.976 5 E CB 0.000 29.771 29.700 0.118 0.000 0.812 6 L N 0.483 121.752 121.223 0.077 0.000 2.629 6 L HA 0.703 5.043 4.340 -0.000 0.000 0.230 6 L C 0.879 177.661 176.870 -0.148 0.000 1.151 6 L CA 0.269 55.099 54.840 -0.017 0.000 0.924 6 L CB -1.307 40.729 42.059 -0.038 0.000 1.137 6 L HN 0.458 nan 8.230 nan 0.000 0.457 7 Y N 1.376 121.703 120.300 0.045 0.000 2.518 7 Y HA 0.526 5.076 4.550 -0.000 0.000 0.344 7 Y C 0.935 176.873 175.900 0.062 0.000 0.982 7 Y CA 0.098 58.210 58.100 0.019 0.000 1.234 7 Y CB 1.201 39.648 38.460 -0.020 0.000 1.114 7 Y HN 0.383 nan 8.280 nan 0.000 0.515 8 T N -1.358 113.280 114.554 0.139 0.000 2.812 8 T HA 0.729 5.079 4.350 -0.000 0.000 0.294 8 T C -0.338 174.397 174.700 0.058 0.000 1.159 8 T CA -1.108 61.049 62.100 0.095 0.000 1.008 8 T CB 0.914 69.816 68.868 0.056 0.000 1.289 8 T HN 0.497 nan 8.240 nan 0.000 0.514 9 K N -0.882 119.543 120.400 0.041 0.000 2.511 9 K HA 0.467 4.787 4.320 -0.000 0.000 0.280 9 K C 1.160 177.761 176.600 0.002 0.000 1.008 9 K CA 1.135 57.435 56.287 0.020 0.000 1.050 9 K CB -2.250 30.259 32.500 0.015 0.000 0.889 9 K HN 2.415 nan 8.250 nan 0.000 0.484 10 Y N -2.273 118.021 120.300 -0.010 0.000 4.526 10 Y HA -0.069 4.481 4.550 -0.000 0.000 0.313 10 Y C 1.307 177.182 175.900 -0.042 0.000 1.064 10 Y CA 0.739 58.823 58.100 -0.027 0.000 1.702 10 Y CB -2.134 36.310 38.460 -0.026 0.000 0.917 10 Y HN 2.293 nan 8.280 nan 0.000 0.414 11 A N 3.429 126.228 122.820 -0.035 0.000 2.476 11 A HA 0.523 4.843 4.320 -0.000 0.000 0.275 11 A C 0.573 178.101 177.584 -0.093 0.000 1.133 11 A CA 0.089 52.089 52.037 -0.061 0.000 0.797 11 A CB -0.120 18.851 19.000 -0.049 0.000 1.081 11 A HN 0.821 nan 8.150 nan 0.000 0.510 12 R N 1.022 121.438 120.500 -0.139 0.000 2.594 12 R HA 0.420 4.760 4.340 -0.000 0.000 0.272 12 R C -0.053 176.075 176.300 -0.286 0.000 1.074 12 R CA 0.075 56.042 56.100 -0.221 0.000 1.105 12 R CB 0.681 30.824 30.300 -0.261 0.000 1.008 12 R HN 0.718 nan 8.270 nan 0.000 0.472 13 V N -1.459 118.236 119.914 -0.364 0.000 3.188 13 V HA 0.559 4.679 4.120 -0.000 0.000 0.305 13 V C -1.576 174.263 176.094 -0.425 0.000 1.232 13 V CA -1.412 60.682 62.300 -0.342 0.000 1.043 13 V CB 1.872 33.602 31.823 -0.156 0.000 1.068 13 V HN 0.782 nan 8.190 nan 0.000 0.439 14 W N 2.160 123.403 121.300 -0.094 0.000 2.529 14 W HA 0.882 5.542 4.660 -0.000 0.000 0.321 14 W C -0.231 176.371 176.519 0.138 0.000 1.047 14 W CA -0.617 56.740 57.345 0.019 0.000 1.216 14 W CB 1.897 31.287 29.460 -0.117 0.000 1.357 14 W HN 0.806 nan 8.180 nan 0.000 0.489 15 I N 1.121 121.991 120.570 0.501 0.000 2.730 15 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 15 I C -2.645 173.630 176.117 0.262 0.000 1.089 15 I CA -3.327 58.127 61.300 0.255 0.000 1.041 15 I CB 1.763 39.693 38.000 -0.117 0.000 1.235 15 I HN 0.030 nan 8.210 nan 0.000 0.423 16 P HA 0.072 nan 4.420 nan 0.000 0.263 16 P C -1.276 175.958 177.300 -0.110 0.000 1.175 16 P CA 0.529 63.453 63.100 -0.295 0.000 0.761 16 P CB 0.357 31.955 31.700 -0.170 0.000 0.794 17 D N 2.739 123.030 120.400 -0.181 0.000 2.671 17 D HA 0.332 4.972 4.640 -0.000 0.000 0.232 17 D C -1.811 174.439 176.300 -0.084 0.000 1.114 17 D CA -2.189 51.778 54.000 -0.054 0.000 0.858 17 D CB 1.315 42.135 40.800 0.033 0.000 1.544 17 D HN 0.035 nan 8.370 nan 0.000 0.471 18 P HA -0.066 nan 4.420 nan 0.000 0.212 18 P C 0.951 178.241 177.300 -0.016 0.000 1.180 18 P CA 1.027 64.108 63.100 -0.031 0.000 0.906 18 P CB 0.238 31.933 31.700 -0.008 0.000 0.782 19 E N 0.165 120.374 120.200 0.015 0.000 2.318 19 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 19 E C 1.397 178.032 176.600 0.058 0.000 0.998 19 E CA 1.141 57.563 56.400 0.037 0.000 0.859 19 E CB -0.388 29.343 29.700 0.051 0.000 0.812 19 E HN 0.241 nan 8.360 nan 0.000 0.492 20 E N -0.046 120.194 120.200 0.067 0.000 2.481 20 E HA 0.138 4.488 4.350 -0.000 0.000 0.198 20 E C 0.775 177.433 176.600 0.096 0.000 1.027 20 E CA 0.714 57.182 56.400 0.114 0.000 0.900 20 E CB 0.489 30.285 29.700 0.160 0.000 0.993 20 E HN 0.079 nan 8.360 nan 0.000 0.482 21 V N -1.852 118.050 119.914 -0.020 0.000 0.441 21 V HA -0.336 3.784 4.120 -0.000 0.000 0.092 21 V C -0.082 175.724 176.094 -0.479 0.000 2.557 21 V CA 2.290 64.459 62.300 -0.217 0.000 3.721 21 V CB -1.194 30.581 31.823 -0.081 0.000 0.992 21 V HN 0.344 nan 8.190 nan 0.000 1.042 22 W N 0.115 121.466 121.300 0.084 0.000 3.022 22 W HA 0.732 5.392 4.660 -0.000 0.000 0.335 22 W C -0.297 176.397 176.519 0.291 0.000 1.133 22 W CA -0.380 57.051 57.345 0.143 0.000 1.219 22 W CB 1.653 31.091 29.460 -0.036 0.000 1.409 22 W HN 0.171 nan 8.180 nan 0.000 0.507 23 K N 1.610 122.399 120.400 0.650 0.000 2.482 23 K HA 0.571 4.891 4.320 -0.000 0.000 0.251 23 K C -0.433 176.421 176.600 0.424 0.000 0.936 23 K CA -0.555 56.031 56.287 0.499 0.000 0.791 23 K CB 2.001 34.656 32.500 0.258 0.000 1.213 23 K HN 0.321 nan 8.250 nan 0.000 0.428 24 S N 2.637 118.442 115.700 0.175 0.000 2.576 24 S HA 0.676 5.146 4.470 -0.000 0.000 0.276 24 S C -0.233 174.264 174.600 -0.171 0.000 1.339 24 S CA 0.298 58.298 58.200 -0.335 0.000 1.039 24 S CB 0.911 63.840 63.200 -0.453 0.000 0.902 24 S HN 0.728 nan 8.310 nan 0.000 0.516 25 A N 2.643 125.315 122.820 -0.246 0.000 4.069 25 A HA 0.919 5.239 4.320 -0.000 0.000 0.188 25 A C -0.417 177.069 177.584 -0.163 0.000 0.718 25 A CA -0.386 51.562 52.037 -0.148 0.000 0.753 25 A CB 0.625 19.554 19.000 -0.119 0.000 1.566 25 A HN 0.986 nan 8.150 nan 0.000 0.836 26 E N -0.694 119.436 120.200 -0.117 0.000 2.720 26 E HA 0.285 4.635 4.350 -0.000 0.000 0.298 26 E C -1.940 174.631 176.600 -0.048 0.000 1.150 26 E CA -0.531 55.812 56.400 -0.094 0.000 0.921 26 E CB 0.251 29.900 29.700 -0.086 0.000 1.164 26 E HN 0.606 nan 8.360 nan 0.000 0.447 27 L N 4.751 125.960 121.223 -0.024 0.000 2.439 27 L HA 0.246 4.586 4.340 -0.000 0.000 0.269 27 L C 1.165 178.040 176.870 0.007 0.000 1.179 27 L CA -0.121 54.724 54.840 0.010 0.000 0.828 27 L CB 0.352 42.440 42.059 0.048 0.000 1.106 27 L HN 0.637 nan 8.230 nan 0.000 0.467 28 L N 1.257 122.490 121.223 0.016 0.000 2.500 28 L HA 0.095 4.435 4.340 -0.000 0.000 0.219 28 L C 1.336 178.219 176.870 0.021 0.000 1.057 28 L CA 0.128 54.976 54.840 0.013 0.000 0.854 28 L CB -0.307 41.759 42.059 0.012 0.000 1.078 28 L HN 0.677 nan 8.230 nan 0.000 0.480 29 K N 0.498 120.918 120.400 0.033 0.000 3.169 29 K HA 0.350 4.670 4.320 -0.000 0.000 0.251 29 K C -0.910 175.723 176.600 0.055 0.000 0.992 29 K CA -0.123 56.187 56.287 0.038 0.000 1.643 29 K CB -0.081 32.441 32.500 0.037 0.000 2.979 29 K HN -0.158 nan 8.250 nan 0.000 0.905 30 D N -1.382 119.058 120.400 0.067 0.000 2.857 30 D HA 0.313 4.953 4.640 -0.000 0.000 0.227 30 D C -1.869 174.506 176.300 0.126 0.000 1.192 30 D CA -0.531 53.525 54.000 0.093 0.000 0.857 30 D CB 1.257 42.090 40.800 0.056 0.000 1.645 30 D HN 0.386 nan 8.370 nan 0.000 0.482 31 Y N 2.371 122.697 120.300 0.043 0.000 2.361 31 Y HA 0.573 5.123 4.550 -0.000 0.000 0.332 31 Y C -0.986 174.932 175.900 0.030 0.000 1.101 31 Y CA -0.368 57.744 58.100 0.020 0.000 1.137 31 Y CB 0.935 39.386 38.460 -0.016 0.000 1.207 31 Y HN 0.074 nan 8.280 nan 0.000 0.463 32 K N 5.729 125.567 120.400 -0.936 0.000 2.385 32 K HA 0.360 4.680 4.320 -0.000 0.000 0.248 32 K C -2.945 173.032 176.600 -1.039 0.000 0.955 32 K CA -2.470 53.406 56.287 -0.686 0.000 0.816 32 K CB 1.535 33.836 32.500 -0.331 0.000 1.250 32 K HN 0.448 nan 8.250 nan 0.000 0.434 33 P HA 0.034 nan 4.420 nan 0.000 0.257 33 P C 0.334 177.522 177.300 -0.186 0.000 1.269 33 P CA 0.768 63.775 63.100 -0.155 0.000 1.122 33 P CB -0.061 31.638 31.700 -0.001 0.000 1.285 34 G N 2.708 111.377 108.800 -0.218 0.000 4.373 34 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.195 34 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.195 34 G C -0.475 174.357 174.900 -0.113 0.000 1.377 34 G CA -0.580 44.441 45.100 -0.131 0.000 0.858 34 G HN 0.380 nan 8.290 nan 0.000 0.307 35 D N 1.214 121.478 120.400 -0.227 0.000 2.836 35 D HA 0.255 4.895 4.640 -0.000 0.000 0.220 35 D C 1.145 177.488 176.300 0.071 0.000 1.094 35 D CA 0.684 54.627 54.000 -0.094 0.000 0.820 35 D CB 1.026 41.739 40.800 -0.145 0.000 1.171 35 D HN 0.214 nan 8.370 nan 0.000 0.507 36 K N 1.121 121.551 120.400 0.050 0.000 2.400 36 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 36 K C -0.409 176.223 176.600 0.054 0.000 1.033 36 K CA 0.139 56.453 56.287 0.046 0.000 1.021 36 K CB 0.443 32.947 32.500 0.008 0.000 0.808 36 K HN 0.396 nan 8.250 nan 0.000 0.505 37 V N -1.954 118.015 119.914 0.091 0.000 3.159 37 V HA 0.557 4.677 4.120 -0.000 0.000 0.308 37 V C -1.066 175.118 176.094 0.150 0.000 1.190 37 V CA -1.343 61.014 62.300 0.096 0.000 1.037 37 V CB 2.105 33.963 31.823 0.058 0.000 1.060 37 V HN -0.164 nan 8.190 nan 0.000 0.437 38 L N 0.965 122.281 121.223 0.154 0.000 2.356 38 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 38 L C -0.691 176.238 176.870 0.099 0.000 0.996 38 L CA -0.706 54.210 54.840 0.127 0.000 0.822 38 L CB 1.744 43.849 42.059 0.077 0.000 1.256 38 L HN 0.646 nan 8.230 nan 0.000 0.413 39 Q N 3.627 123.472 119.800 0.075 0.000 2.553 39 Q HA 0.441 4.781 4.340 -0.000 0.000 0.221 39 Q C -0.508 175.515 176.000 0.038 0.000 1.219 39 Q CA 0.280 56.116 55.803 0.054 0.000 0.955 39 Q CB 0.374 29.137 28.738 0.042 0.000 1.399 39 Q HN 0.482 nan 8.270 nan 0.000 0.551 40 L N 0.659 121.902 121.223 0.034 0.000 2.469 40 L HA 0.560 4.900 4.340 -0.000 0.000 0.253 40 L C 0.451 177.323 176.870 0.004 0.000 1.143 40 L CA -0.939 53.905 54.840 0.007 0.000 0.804 40 L CB 0.797 42.849 42.059 -0.011 0.000 1.214 40 L HN 0.364 nan 8.230 nan 0.000 0.476 41 R N 1.347 121.840 120.500 -0.012 0.000 2.575 41 R HA 0.375 4.715 4.340 -0.000 0.000 0.292 41 R C -1.269 175.019 176.300 -0.020 0.000 1.246 41 R CA -0.671 55.423 56.100 -0.009 0.000 0.973 41 R CB 0.827 31.121 30.300 -0.011 0.000 1.187 41 R HN 0.472 nan 8.270 nan 0.000 0.478 48 L N -0.322 120.925 121.223 0.039 0.000 2.892 48 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 48 L C -1.037 175.872 176.870 0.066 0.000 1.058 48 L CA -0.905 53.968 54.840 0.054 0.000 0.923 48 L CB 1.953 44.057 42.059 0.075 0.000 1.518 48 L HN 0.242 nan 8.230 nan 0.000 0.402 49 E N 0.436 120.678 120.200 0.071 0.000 2.175 49 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 49 E C -1.771 174.906 176.600 0.128 0.000 0.969 49 E CA -0.659 55.790 56.400 0.081 0.000 0.796 49 E CB 2.100 31.827 29.700 0.045 0.000 1.104 49 E HN 0.333 nan 8.360 nan 0.000 0.395 50 Y N 2.665 122.967 120.300 0.003 0.000 2.434 50 Y HA 0.191 4.741 4.550 -0.000 0.000 0.341 50 Y C -0.702 175.194 175.900 -0.008 0.000 0.965 50 Y CA -1.244 56.853 58.100 -0.005 0.000 1.205 50 Y CB 0.515 38.966 38.460 -0.015 0.000 1.121 50 Y HN 0.579 nan 8.280 nan 0.000 0.507 51 C N 8.194 127.285 119.300 -0.348 0.000 2.540 51 C HA 0.276 4.736 4.460 -0.000 0.000 0.377 51 C C 0.445 175.153 174.990 -0.470 0.000 1.274 51 C CA -1.035 57.808 59.018 -0.293 0.000 1.718 51 C CB -1.685 25.939 27.740 -0.193 0.000 2.391 51 C HN 0.711 nan 8.230 nan 0.000 0.565 52 L N 5.091 126.144 121.223 -0.282 0.000 2.455 52 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 52 L C 1.219 177.993 176.870 -0.160 0.000 1.174 52 L CA 0.254 54.966 54.840 -0.213 0.000 0.869 52 L CB 0.217 42.233 42.059 -0.072 0.000 1.130 52 L HN 0.705 nan 8.230 nan 0.000 0.474 53 D N 6.132 126.448 120.400 -0.139 0.000 2.563 53 D HA -0.095 4.545 4.640 -0.000 0.000 0.229 53 D C -1.686 174.580 176.300 -0.057 0.000 1.159 53 D CA -0.867 53.080 54.000 -0.089 0.000 0.869 53 D CB 1.071 41.838 40.800 -0.054 0.000 1.203 53 D HN 0.324 nan 8.370 nan 0.000 0.478 54 P HA -0.163 nan 4.420 nan 0.000 0.215 54 P C 1.094 178.382 177.300 -0.020 0.000 1.153 54 P CA 2.353 65.433 63.100 -0.033 0.000 0.853 54 P CB -0.009 31.673 31.700 -0.031 0.000 0.788 55 K N 0.072 120.462 120.400 -0.018 0.000 2.057 55 K HA 0.045 4.365 4.320 -0.000 0.000 0.209 55 K C 2.322 178.920 176.600 -0.003 0.000 1.028 55 K CA 1.975 58.256 56.287 -0.009 0.000 0.950 55 K CB -2.081 30.413 32.500 -0.009 0.000 0.784 55 K HN 0.107 nan 8.250 nan 0.000 0.448 56 T N 0.473 115.025 114.554 -0.003 0.000 2.721 56 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 56 T C 1.722 176.425 174.700 0.006 0.000 1.038 56 T CA 3.149 65.252 62.100 0.004 0.000 1.145 56 T CB -0.959 67.914 68.868 0.008 0.000 0.858 56 T HN 1.155 nan 8.240 nan 0.000 0.459 57 K N 1.243 121.641 120.400 -0.002 0.000 2.975 57 K HA -0.251 4.069 4.320 -0.000 0.000 0.257 57 K C 0.084 176.678 176.600 -0.010 0.000 1.005 57 K CA 1.740 58.026 56.287 -0.002 0.000 0.738 57 K CB -2.614 29.898 32.500 0.021 0.000 1.236 57 K HN 0.849 nan 8.250 nan 0.000 0.483 58 E N 0.433 120.631 120.200 -0.004 0.000 2.257 58 E HA 0.401 4.751 4.350 -0.000 0.000 0.278 58 E C -0.150 176.445 176.600 -0.008 0.000 1.049 58 E CA -0.666 55.734 56.400 -0.000 0.000 0.876 58 E CB 0.251 29.967 29.700 0.026 0.000 1.035 58 E HN 0.417 nan 8.360 nan 0.000 0.419 59 L N 6.416 127.587 121.223 -0.088 0.000 2.453 59 L HA 0.318 4.658 4.340 -0.000 0.000 0.261 59 L C -1.752 175.099 176.870 -0.032 0.000 1.179 59 L CA -1.526 53.204 54.840 -0.183 0.000 0.813 59 L CB -0.129 41.554 42.059 -0.626 0.000 1.110 59 L HN 0.577 nan 8.230 nan 0.000 0.466 60 P HA 0.254 nan 4.420 nan 0.000 0.274 60 P C -2.666 174.631 177.300 -0.005 0.000 1.237 60 P CA -1.542 61.569 63.100 0.019 0.000 0.793 60 P CB -0.039 31.581 31.700 -0.133 0.000 0.977 61 P HA 0.067 nan 4.420 nan 0.000 0.266 61 P C -0.234 176.899 177.300 -0.277 0.000 1.193 61 P CA 0.538 63.420 63.100 -0.363 0.000 0.770 61 P CB 0.266 31.509 31.700 -0.760 0.000 0.836 62 L N 2.354 123.292 121.223 -0.474 0.000 2.357 62 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 62 L C 1.167 177.894 176.870 -0.238 0.000 1.080 62 L CA -0.619 53.891 54.840 -0.550 0.000 0.803 62 L CB 0.743 42.064 42.059 -1.229 0.000 1.174 62 L HN 0.300 nan 8.230 nan 0.000 0.443 63 R N 2.703 123.093 120.500 -0.184 0.000 2.265 63 R HA 0.162 4.502 4.340 -0.000 0.000 0.314 63 R C -0.327 176.091 176.300 0.197 0.000 1.053 63 R CA -0.622 55.464 56.100 -0.022 0.000 0.931 63 R CB 0.527 30.583 30.300 -0.408 0.000 1.024 63 R HN 0.620 nan 8.270 nan 0.000 0.457 64 N N 5.087 123.983 118.700 0.327 0.000 2.395 64 N HA 0.059 4.799 4.740 -0.000 0.000 0.246 64 N C -2.085 173.499 175.510 0.122 0.000 1.246 64 N CA -0.493 52.718 53.050 0.270 0.000 0.879 64 N CB 0.643 39.236 38.487 0.177 0.000 1.098 64 N HN 0.497 nan 8.380 nan 0.000 0.444 65 P HA 0.147 nan 4.420 nan 0.000 0.274 65 P C -0.120 177.207 177.300 0.044 0.000 1.256 65 P CA -0.233 62.894 63.100 0.045 0.000 0.795 65 P CB 0.912 32.631 31.700 0.033 0.000 1.038 66 D N -0.150 120.268 120.400 0.030 0.000 2.234 66 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 66 D C 1.752 178.076 176.300 0.040 0.000 0.962 66 D CA 0.437 54.457 54.000 0.034 0.000 0.855 66 D CB -0.297 40.514 40.800 0.019 0.000 0.951 66 D HN 0.216 nan 8.370 nan 0.000 0.500 67 I N 0.978 121.573 120.570 0.041 0.000 2.315 67 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 67 I C 1.518 177.675 176.117 0.068 0.000 1.125 67 I CA 1.066 62.396 61.300 0.050 0.000 1.392 67 I CB -0.024 38.018 38.000 0.069 0.000 1.065 67 I HN -0.009 nan 8.210 nan 0.000 0.424 68 L N 0.649 121.922 121.223 0.083 0.000 2.607 68 L HA 0.169 4.509 4.340 -0.000 0.000 0.228 68 L C 0.805 177.720 176.870 0.075 0.000 1.123 68 L CA -0.342 54.550 54.840 0.087 0.000 0.890 68 L CB -0.443 41.678 42.059 0.103 0.000 1.103 68 L HN -0.006 nan 8.230 nan 0.000 0.468 69 V N 0.471 120.430 119.914 0.075 0.000 2.572 69 V HA 0.524 4.644 4.120 -0.000 0.000 0.291 69 V C 1.387 177.527 176.094 0.077 0.000 1.039 69 V CA 0.482 62.843 62.300 0.101 0.000 1.055 69 V CB 0.223 32.116 31.823 0.115 0.000 0.969 69 V HN 0.395 nan 8.190 nan 0.000 0.482 70 G N 2.636 111.486 108.800 0.083 0.000 2.153 70 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.252 70 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.252 70 G C 0.291 175.207 174.900 0.026 0.000 0.994 70 G CA 0.329 45.457 45.100 0.047 0.000 0.698 70 G HN 1.037 nan 8.290 nan 0.000 0.521 71 E N -0.104 120.115 120.200 0.033 0.000 2.459 71 E HA 0.043 4.393 4.350 -0.000 0.000 0.264 71 E C 1.211 177.812 176.600 0.002 0.000 1.055 71 E CA -0.240 56.167 56.400 0.012 0.000 0.957 71 E CB 0.225 29.943 29.700 0.030 0.000 0.952 71 E HN 0.256 nan 8.360 nan 0.000 0.448 72 N N 1.583 120.264 118.700 -0.033 0.000 2.494 72 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 72 N C -0.427 175.069 175.510 -0.023 0.000 1.076 72 N CA 0.657 53.663 53.050 -0.072 0.000 0.908 72 N CB 0.208 38.600 38.487 -0.158 0.000 0.967 72 N HN 0.305 nan 8.380 nan 0.000 0.449 73 D N -0.444 119.978 120.400 0.037 0.000 2.696 73 D HA 0.239 4.879 4.640 -0.000 0.000 0.251 73 D C 0.912 177.268 176.300 0.095 0.000 1.188 73 D CA -0.422 53.644 54.000 0.111 0.000 0.876 73 D CB 1.355 42.229 40.800 0.124 0.000 1.334 73 D HN -0.185 nan 8.370 nan 0.000 0.540 74 L N 2.121 123.408 121.223 0.106 0.000 2.265 74 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 74 L C 2.108 179.018 176.870 0.067 0.000 1.117 74 L CA 1.540 56.424 54.840 0.073 0.000 0.782 74 L CB -0.361 41.741 42.059 0.071 0.000 0.914 74 L HN 0.533 nan 8.230 nan 0.000 0.441 75 T N -4.371 110.237 114.554 0.091 0.000 3.081 75 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 75 T C 1.712 176.473 174.700 0.102 0.000 1.100 75 T CA 0.462 62.617 62.100 0.093 0.000 1.038 75 T CB 0.246 69.179 68.868 0.109 0.000 0.962 75 T HN 0.219 nan 8.240 nan 0.000 0.516 76 A N 1.416 124.297 122.820 0.101 0.000 2.119 76 A HA 0.369 4.689 4.320 -0.000 0.000 0.217 76 A C 1.051 178.715 177.584 0.133 0.000 1.153 76 A CA 0.123 52.236 52.037 0.126 0.000 0.692 76 A CB -0.713 18.341 19.000 0.089 0.000 0.799 76 A HN 0.636 nan 8.150 nan 0.000 0.458 77 L N -0.078 121.195 121.223 0.083 0.000 2.490 77 L HA 0.074 4.414 4.340 -0.000 0.000 0.274 77 L C 1.774 178.658 176.870 0.023 0.000 1.201 77 L CA -0.062 54.809 54.840 0.052 0.000 0.869 77 L CB 0.653 42.723 42.059 0.017 0.000 1.123 77 L HN 0.266 nan 8.230 nan 0.000 0.484 78 S N 1.918 117.586 115.700 -0.054 0.000 2.377 78 S HA -0.025 4.445 4.470 -0.000 0.000 0.223 78 S C 0.424 174.898 174.600 -0.210 0.000 1.030 78 S CA 0.588 58.671 58.200 -0.195 0.000 0.970 78 S CB 0.039 62.985 63.200 -0.423 0.000 0.830 78 S HN 0.413 nan 8.310 nan 0.000 0.473 79 Y N 1.561 121.895 120.300 0.058 0.000 2.367 79 Y HA 0.553 5.103 4.550 -0.000 0.000 0.342 79 Y C -0.649 175.229 175.900 -0.035 0.000 0.979 79 Y CA -0.982 57.185 58.100 0.113 0.000 1.161 79 Y CB 0.498 39.104 38.460 0.242 0.000 1.155 79 Y HN 0.061 nan 8.280 nan 0.000 0.503 80 L N 6.409 127.713 121.223 0.136 0.000 2.318 80 L HA 0.555 4.895 4.340 -0.000 0.000 0.277 80 L C -0.593 176.260 176.870 -0.028 0.000 1.008 80 L CA -0.426 54.377 54.840 -0.062 0.000 0.846 80 L CB 0.347 42.413 42.059 0.011 0.000 1.220 80 L HN 0.769 nan 8.230 nan 0.000 0.423 81 H N -1.185 117.858 119.070 -0.045 0.000 2.918 81 H HA 0.389 4.945 4.556 -0.000 0.000 0.303 81 H C 0.106 175.317 175.328 -0.195 0.000 1.380 81 H CA -0.963 55.016 56.048 -0.116 0.000 1.134 81 H CB 0.703 30.372 29.762 -0.153 0.000 1.842 81 H HN 0.196 nan 8.280 nan 0.000 0.533 82 E N -0.030 120.118 120.200 -0.087 0.000 2.023 82 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 82 E C -0.831 175.538 176.600 -0.386 0.000 1.003 82 E CA 1.780 58.081 56.400 -0.165 0.000 0.809 82 E CB -1.085 28.592 29.700 -0.037 0.000 0.755 82 E HN 0.507 nan 8.360 nan 0.000 0.449 83 P HA -0.184 nan 4.420 nan 0.000 0.215 83 P C 1.078 177.872 177.300 -0.842 0.000 1.153 83 P CA 1.886 64.277 63.100 -1.183 0.000 0.853 83 P CB -0.102 30.513 31.700 -1.809 0.000 0.788 84 A N -0.452 121.960 122.820 -0.679 0.000 1.877 84 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 84 A C 2.443 179.871 177.584 -0.260 0.000 1.186 84 A CA 1.955 53.711 52.037 -0.468 0.000 0.620 84 A CB -1.688 16.858 19.000 -0.757 0.000 0.822 84 A HN 0.068 nan 8.150 nan 0.000 0.443 85 V N -0.649 119.102 119.914 -0.271 0.000 2.515 85 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 85 V C 2.450 178.505 176.094 -0.065 0.000 1.058 85 V CA 1.806 64.035 62.300 -0.119 0.000 1.064 85 V CB -0.534 31.234 31.823 -0.090 0.000 0.675 85 V HN 0.552 nan 8.190 nan 0.000 0.461 86 L N -0.334 120.825 121.223 -0.107 0.000 2.007 86 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 86 L C 2.477 179.311 176.870 -0.061 0.000 1.073 86 L CA 2.471 57.297 54.840 -0.023 0.000 0.744 86 L CB -0.818 41.227 42.059 -0.023 0.000 0.898 86 L HN 0.482 nan 8.230 nan 0.000 0.435 87 H N -0.575 118.360 119.070 -0.225 0.000 2.265 87 H HA -0.251 4.305 4.556 -0.000 0.000 0.295 87 H C 2.233 177.514 175.328 -0.078 0.000 1.084 87 H CA 2.366 58.338 56.048 -0.126 0.000 1.261 87 H CB -0.224 29.528 29.762 -0.016 0.000 1.360 87 H HN 0.405 nan 8.280 nan 0.000 0.487 88 N N -0.011 118.791 118.700 0.171 0.000 2.258 88 N HA -0.164 4.576 4.740 -0.000 0.000 0.187 88 N C 1.863 177.378 175.510 0.008 0.000 1.012 88 N CA 1.250 54.373 53.050 0.123 0.000 0.870 88 N CB -0.101 38.443 38.487 0.096 0.000 0.977 88 N HN 0.352 nan 8.380 nan 0.000 0.434 89 L N 1.585 122.784 121.223 -0.040 0.000 2.095 89 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 89 L C 2.533 179.267 176.870 -0.226 0.000 1.080 89 L CA 1.237 56.046 54.840 -0.051 0.000 0.759 89 L CB -0.484 41.597 42.059 0.037 0.000 0.914 89 L HN 0.041 nan 8.230 nan 0.000 0.439 90 K N -0.365 119.690 120.400 -0.574 0.000 1.978 90 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 90 K C 2.062 178.470 176.600 -0.321 0.000 1.049 90 K CA 2.367 58.151 56.287 -0.839 0.000 0.939 90 K CB -0.405 31.566 32.500 -0.881 0.000 0.721 90 K HN 0.287 nan 8.250 nan 0.000 0.441 91 V N -0.467 119.264 119.914 -0.304 0.000 2.363 91 V HA -0.312 3.808 4.120 -0.000 0.000 0.254 91 V C 2.166 178.226 176.094 -0.058 0.000 1.074 91 V CA 2.051 64.249 62.300 -0.168 0.000 1.069 91 V CB -0.809 30.947 31.823 -0.112 0.000 0.659 91 V HN 0.307 nan 8.190 nan 0.000 0.455 92 R N -1.323 119.169 120.500 -0.014 0.000 2.090 92 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 92 R C 2.109 178.497 176.300 0.148 0.000 1.110 92 R CA 1.642 57.777 56.100 0.058 0.000 0.973 92 R CB -0.405 29.945 30.300 0.083 0.000 0.869 92 R HN 0.584 nan 8.270 nan 0.000 0.440 93 F N 1.222 121.178 119.950 0.010 0.000 2.037 93 F HA -0.047 4.480 4.527 -0.000 0.000 0.291 93 F C 2.061 177.993 175.800 0.221 0.000 1.137 93 F CA 1.189 59.294 58.000 0.176 0.000 1.178 93 F CB -0.397 38.712 39.000 0.182 0.000 0.995 93 F HN -0.168 nan 8.300 nan 0.000 0.472 94 I N 0.144 120.776 120.570 0.102 0.000 2.163 94 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 94 I C 1.825 177.875 176.117 -0.111 0.000 1.081 94 I CA 1.723 63.014 61.300 -0.014 0.000 1.353 94 I CB -0.461 37.565 38.000 0.044 0.000 1.054 94 I HN 0.128 nan 8.210 nan 0.000 0.407 95 D N 0.001 120.350 120.400 -0.084 0.000 2.269 95 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 95 D C 1.520 177.748 176.300 -0.119 0.000 0.963 95 D CA 0.964 54.908 54.000 -0.093 0.000 0.864 95 D CB 0.115 40.879 40.800 -0.060 0.000 0.936 95 D HN 0.228 nan 8.370 nan 0.000 0.505 96 S N -0.833 114.795 115.700 -0.120 0.000 2.893 96 S HA 0.126 4.596 4.470 -0.000 0.000 0.258 96 S C 0.320 174.831 174.600 -0.149 0.000 1.034 96 S CA -0.560 57.569 58.200 -0.119 0.000 1.167 96 S CB 1.042 64.206 63.200 -0.061 0.000 1.137 96 S HN 0.092 nan 8.310 nan 0.000 0.650 97 K N 0.836 121.094 120.400 -0.236 0.000 3.088 97 K HA -0.181 4.139 4.320 -0.000 0.000 0.273 97 K C -1.099 175.561 176.600 0.100 0.000 1.111 97 K CA 0.328 56.450 56.287 -0.275 0.000 0.803 97 K CB -1.605 30.537 32.500 -0.596 0.000 1.226 97 K HN 0.227 nan 8.250 nan 0.000 0.485 98 L N 1.311 122.623 121.223 0.148 0.000 2.259 98 L HA 0.223 4.563 4.340 -0.000 0.000 0.288 98 L C 1.549 178.625 176.870 0.343 0.000 1.051 98 L CA 0.128 55.079 54.840 0.184 0.000 0.824 98 L CB 0.874 42.986 42.059 0.088 0.000 1.206 98 L HN 0.243 nan 8.230 nan 0.000 0.429 99 I N -0.260 120.548 120.570 0.398 0.000 3.419 99 I HA 0.101 4.271 4.170 -0.000 0.000 0.286 99 I C -0.279 175.925 176.117 0.145 0.000 1.268 99 I CA 0.228 61.737 61.300 0.349 0.000 1.414 99 I CB -0.049 38.102 38.000 0.253 0.000 1.074 99 I HN 0.212 nan 8.210 nan 0.000 0.457 100 Y N 2.031 122.371 120.300 0.067 0.000 2.330 100 Y HA 0.615 5.165 4.550 -0.000 0.000 0.336 100 Y C 0.294 176.226 175.900 0.053 0.000 1.036 100 Y CA -0.839 57.296 58.100 0.057 0.000 1.125 100 Y CB 1.496 39.972 38.460 0.028 0.000 1.194 100 Y HN -0.048 nan 8.280 nan 0.000 0.469 101 T N 1.847 116.533 114.554 0.219 0.000 2.865 101 T HA 0.493 4.843 4.350 -0.000 0.000 0.294 101 T C -1.522 173.377 174.700 0.332 0.000 1.119 101 T CA -0.872 61.334 62.100 0.177 0.000 1.007 101 T CB 1.443 70.385 68.868 0.124 0.000 1.225 101 T HN 0.191 nan 8.240 nan 0.000 0.515 102 Y N -0.027 120.327 120.300 0.090 0.000 2.528 102 Y HA 0.659 5.209 4.550 -0.000 0.000 0.335 102 Y C 0.129 176.079 175.900 0.082 0.000 1.093 102 Y CA -2.181 55.972 58.100 0.089 0.000 1.134 102 Y CB 1.718 40.226 38.460 0.080 0.000 1.253 102 Y HN 0.758 nan 8.280 nan 0.000 0.478 103 C N 2.643 122.075 119.300 0.219 0.000 3.452 103 C HA 0.534 4.994 4.460 -0.000 0.000 0.251 103 C C 0.814 175.888 174.990 0.139 0.000 1.160 103 C CA 0.284 59.398 59.018 0.160 0.000 1.328 103 C CB -1.396 26.426 27.740 0.137 0.000 1.819 103 C HN 1.155 nan 8.230 nan 0.000 0.543 104 G N 4.522 113.401 108.800 0.132 0.000 2.846 104 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.317 104 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.317 104 G C 0.799 175.708 174.900 0.016 0.000 1.210 104 G CA 0.987 46.145 45.100 0.097 0.000 0.972 104 G HN 1.466 nan 8.290 nan 0.000 0.567 105 I N 0.301 120.872 120.570 0.000 0.000 4.025 105 I HA 0.560 4.730 4.170 -0.000 0.000 0.336 105 I C 0.274 176.342 176.117 -0.082 0.000 1.390 105 I CA 0.159 61.401 61.300 -0.097 0.000 1.099 105 I CB 0.194 38.188 38.000 -0.009 0.000 1.049 105 I HN 0.174 nan 8.210 nan 0.000 0.394 106 V N 3.550 123.479 119.914 0.026 0.000 2.364 106 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 106 V C 0.048 176.170 176.094 0.046 0.000 1.036 106 V CA -0.549 61.821 62.300 0.117 0.000 0.880 106 V CB 1.488 33.433 31.823 0.203 0.000 0.991 106 V HN 0.322 nan 8.190 nan 0.000 0.460 107 L N 7.802 129.051 121.223 0.043 0.000 2.361 107 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 107 L C -0.137 176.804 176.870 0.117 0.000 1.113 107 L CA 0.587 55.503 54.840 0.126 0.000 0.849 107 L CB 1.136 43.283 42.059 0.146 0.000 1.155 107 L HN 0.438 nan 8.230 nan 0.000 0.452 108 V N 5.964 125.953 119.914 0.126 0.000 2.350 108 V HA 0.656 4.776 4.120 -0.000 0.000 0.276 108 V C 0.488 176.542 176.094 -0.066 0.000 1.028 108 V CA -0.440 61.882 62.300 0.036 0.000 0.860 108 V CB 0.730 32.584 31.823 0.052 0.000 0.990 108 V HN 0.952 nan 8.190 nan 0.000 0.453 109 A N 6.957 129.672 122.820 -0.174 0.000 2.274 109 A HA 0.818 5.138 4.320 -0.000 0.000 0.309 109 A C -0.367 177.054 177.584 -0.272 0.000 1.226 109 A CA -0.453 51.364 52.037 -0.368 0.000 0.853 109 A CB 0.292 19.054 19.000 -0.396 0.000 1.146 109 A HN 0.790 nan 8.150 nan 0.000 0.518 110 I N 1.932 122.328 120.570 -0.290 0.000 2.498 110 I HA 0.239 4.409 4.170 -0.000 0.000 0.301 110 I C 0.001 175.920 176.117 -0.329 0.000 0.984 110 I CA -0.868 60.222 61.300 -0.350 0.000 1.204 110 I CB 1.652 39.343 38.000 -0.515 0.000 1.362 110 I HN 0.616 nan 8.210 nan 0.000 0.471 111 N N 6.847 125.305 118.700 -0.403 0.000 2.426 111 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 111 N C -1.858 173.360 175.510 -0.488 0.000 1.002 111 N CA -2.283 50.479 53.050 -0.480 0.000 0.942 111 N CB 1.539 39.597 38.487 -0.714 0.000 1.112 111 N HN 0.297 nan 8.380 nan 0.000 0.499 112 P HA 0.043 nan 4.420 nan 0.000 0.226 112 P C -0.816 176.377 177.300 -0.179 0.000 1.161 112 P CA 0.441 63.258 63.100 -0.472 0.000 0.804 112 P CB 0.316 31.576 31.700 -0.732 0.000 0.829 113 Y N -0.384 119.909 120.300 -0.013 0.000 2.984 113 Y HA -0.131 4.419 4.550 -0.000 0.000 0.132 113 Y C 0.057 176.011 175.900 0.089 0.000 1.924 113 Y CA 0.605 58.739 58.100 0.057 0.000 0.976 113 Y CB -2.587 35.923 38.460 0.082 0.000 1.560 113 Y HN 0.252 nan 8.280 nan 0.000 0.353 114 E N -0.735 119.595 120.200 0.217 0.000 3.419 114 E HA 0.472 4.822 4.350 -0.000 0.000 0.330 114 E C -0.139 176.570 176.600 0.181 0.000 1.127 114 E CA 0.420 56.939 56.400 0.198 0.000 0.899 114 E CB 0.200 30.044 29.700 0.240 0.000 1.169 114 E HN 0.394 nan 8.360 nan 0.000 0.498 115 Q N 4.443 124.346 119.800 0.172 0.000 2.247 115 Q HA 0.313 4.653 4.340 -0.000 0.000 0.234 115 Q C 0.694 176.780 176.000 0.143 0.000 0.899 115 Q CA 0.117 56.030 55.803 0.183 0.000 0.951 115 Q CB -0.579 28.266 28.738 0.178 0.000 1.057 115 Q HN 0.586 nan 8.270 nan 0.000 0.444 116 L N 1.899 123.196 121.223 0.123 0.000 3.963 116 L HA -0.123 4.217 4.340 -0.000 0.000 0.470 116 L C -1.601 175.234 176.870 -0.059 0.000 1.007 116 L CA -0.269 54.602 54.840 0.051 0.000 0.675 116 L CB 0.475 42.569 42.059 0.058 0.000 1.045 116 L HN 0.417 nan 8.230 nan 0.000 0.885 117 P HA 0.119 nan 4.420 nan 0.000 0.247 117 P C 0.405 177.618 177.300 -0.145 0.000 1.756 117 P CA 0.079 63.134 63.100 -0.075 0.000 1.117 117 P CB -0.081 31.610 31.700 -0.014 0.000 1.869 118 I N -2.680 117.687 120.570 -0.338 0.000 4.439 118 I HA 0.219 4.388 4.170 -0.000 0.000 0.331 118 I C 0.105 176.092 176.117 -0.215 0.000 1.345 118 I CA -0.314 60.788 61.300 -0.330 0.000 1.193 118 I CB 0.045 37.753 38.000 -0.486 0.000 1.221 118 I HN -0.135 nan 8.210 nan 0.000 0.429 119 Y N 3.203 123.506 120.300 0.005 0.000 2.625 119 Y HA 0.554 5.104 4.550 -0.000 0.000 0.285 119 Y C 1.546 177.539 175.900 0.155 0.000 1.168 119 Y CA -1.224 56.928 58.100 0.088 0.000 1.250 119 Y CB -0.371 37.761 38.460 -0.548 0.000 1.130 119 Y HN 0.105 nan 8.280 nan 0.000 0.526 120 G N 0.313 109.234 108.800 0.201 0.000 2.442 120 G HA2 0.311 4.271 3.960 -0.000 0.000 0.249 120 G HA3 0.311 4.271 3.960 -0.000 0.000 0.249 120 G C 0.985 175.947 174.900 0.102 0.000 1.263 120 G CA 0.326 45.500 45.100 0.122 0.000 0.846 120 G HN 0.455 nan 8.290 nan 0.000 0.555 121 E N 0.549 120.782 120.200 0.054 0.000 2.339 121 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 121 E C 1.750 178.345 176.600 -0.010 0.000 1.015 121 E CA 1.782 58.184 56.400 0.003 0.000 0.841 121 E CB -0.271 29.430 29.700 0.001 0.000 0.754 121 E HN 0.702 nan 8.360 nan 0.000 0.508 122 D N -0.414 119.997 120.400 0.020 0.000 2.202 122 D HA -0.013 4.627 4.640 -0.000 0.000 0.214 122 D C 2.079 178.402 176.300 0.039 0.000 0.967 122 D CA 0.810 54.819 54.000 0.014 0.000 0.871 122 D CB -0.125 40.683 40.800 0.014 0.000 1.020 122 D HN 0.441 nan 8.370 nan 0.000 0.474 123 I N 1.446 122.073 120.570 0.096 0.000 2.145 123 I HA -0.331 3.839 4.170 -0.000 0.000 0.244 123 I C 2.551 178.835 176.117 0.277 0.000 1.075 123 I CA 0.947 62.362 61.300 0.192 0.000 1.332 123 I CB -0.245 37.952 38.000 0.328 0.000 1.033 123 I HN 0.102 nan 8.210 nan 0.000 0.410 124 I N 0.769 121.426 120.570 0.145 0.000 2.093 124 I HA -0.437 3.733 4.170 -0.000 0.000 0.239 124 I C 2.023 178.192 176.117 0.086 0.000 1.026 124 I CA 2.166 63.435 61.300 -0.052 0.000 1.295 124 I CB -0.816 36.976 38.000 -0.347 0.000 1.007 124 I HN 0.414 nan 8.210 nan 0.000 0.401 125 N N 1.064 119.757 118.700 -0.011 0.000 2.459 125 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 125 N C 1.836 177.360 175.510 0.024 0.000 1.046 125 N CA 1.060 54.099 53.050 -0.018 0.000 0.904 125 N CB -0.108 38.345 38.487 -0.056 0.000 0.964 125 N HN 0.392 nan 8.380 nan 0.000 0.444 126 A N 0.463 123.292 122.820 0.016 0.000 2.125 126 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 126 A C 1.305 178.813 177.584 -0.127 0.000 1.156 126 A CA 1.033 53.026 52.037 -0.074 0.000 0.671 126 A CB -0.430 18.483 19.000 -0.145 0.000 0.794 126 A HN 0.297 nan 8.150 nan 0.000 0.459 127 Y N -0.847 119.525 120.300 0.119 0.000 2.522 127 Y HA 0.218 4.768 4.550 -0.000 0.000 0.277 127 Y C 1.569 177.561 175.900 0.153 0.000 1.104 127 Y CA 0.192 58.384 58.100 0.152 0.000 1.260 127 Y CB -0.360 38.227 38.460 0.211 0.000 1.151 127 Y HN 0.091 nan 8.280 nan 0.000 0.539 128 S N -0.031 115.846 115.700 0.295 0.000 2.571 128 S HA 0.180 4.650 4.470 -0.000 0.000 0.298 128 S C 1.391 176.075 174.600 0.140 0.000 1.280 128 S CA 1.317 59.633 58.200 0.193 0.000 1.052 128 S CB -0.235 62.997 63.200 0.053 0.000 0.799 128 S HN 0.853 nan 8.310 nan 0.000 0.501 129 G N 1.111 109.994 108.800 0.138 0.000 2.257 129 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 129 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 129 G C 0.560 175.517 174.900 0.096 0.000 0.984 129 G CA 1.519 46.677 45.100 0.098 0.000 0.626 129 G HN 1.095 nan 8.290 nan 0.000 0.540 130 Q N -0.218 119.653 119.800 0.119 0.000 1.988 130 Q HA 0.646 4.986 4.340 -0.000 0.000 0.651 130 Q C 0.793 176.859 176.000 0.111 0.000 0.977 130 Q CA 1.367 57.233 55.803 0.104 0.000 0.748 130 Q CB -0.081 28.721 28.738 0.107 0.000 3.195 130 Q HN 0.902 nan 8.270 nan 0.000 0.286 131 N N -1.845 116.934 118.700 0.133 0.000 2.961 131 N HA 0.357 5.097 4.740 -0.000 0.000 0.245 131 N C -1.190 174.417 175.510 0.161 0.000 1.404 131 N CA -0.640 52.486 53.050 0.128 0.000 0.880 131 N CB 1.485 40.032 38.487 0.100 0.000 1.461 131 N HN 0.585 nan 8.380 nan 0.000 0.510 132 M N 0.757 120.445 119.600 0.147 0.000 2.238 132 M HA 0.220 4.700 4.480 -0.000 0.000 0.347 132 M C 1.285 177.713 176.300 0.214 0.000 1.173 132 M CA 1.747 57.159 55.300 0.187 0.000 1.147 132 M CB 0.138 32.790 32.600 0.086 0.000 1.547 132 M HN 0.924 nan 8.290 nan 0.000 0.455 133 G N 1.374 110.365 108.800 0.319 0.000 4.526 133 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.217 133 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.217 133 G C 0.804 175.769 174.900 0.108 0.000 1.428 133 G CA 1.194 46.416 45.100 0.202 0.000 0.928 133 G HN 0.916 nan 8.290 nan 0.000 0.639 134 D N 1.283 121.742 120.400 0.098 0.000 2.311 134 D HA 0.101 4.741 4.640 -0.000 0.000 0.204 134 D C 1.322 177.655 176.300 0.056 0.000 1.000 134 D CA 2.177 56.216 54.000 0.064 0.000 0.910 134 D CB -0.206 40.636 40.800 0.071 0.000 0.900 134 D HN 0.541 nan 8.370 nan 0.000 0.463 135 M N -0.119 119.547 119.600 0.109 0.000 2.535 135 M HA 0.345 4.825 4.480 -0.000 0.000 0.314 135 M C -1.104 175.246 176.300 0.083 0.000 1.153 135 M CA -0.873 54.489 55.300 0.104 0.000 0.924 135 M CB 1.945 34.691 32.600 0.244 0.000 1.710 135 M HN 0.004 nan 8.290 nan 0.000 0.451 136 D N 4.064 124.477 120.400 0.021 0.000 2.601 136 D HA 0.011 4.651 4.640 -0.000 0.000 0.229 136 D C -2.088 174.190 176.300 -0.037 0.000 1.140 136 D CA 0.418 54.388 54.000 -0.050 0.000 0.862 136 D CB 0.213 40.988 40.800 -0.041 0.000 1.192 136 D HN 0.171 nan 8.370 nan 0.000 0.480 137 P HA 0.017 nan 4.420 nan 0.000 0.264 137 P C -0.922 176.360 177.300 -0.030 0.000 1.193 137 P CA 0.638 63.572 63.100 -0.276 0.000 0.763 137 P CB 0.399 31.879 31.700 -0.367 0.000 0.810 138 H N 1.107 120.120 119.070 -0.095 0.000 3.060 138 H HA 0.127 4.683 4.556 -0.000 0.000 0.330 138 H C 0.628 175.755 175.328 -0.336 0.000 1.305 138 H CA -0.850 54.839 56.048 -0.598 0.000 1.209 138 H CB 1.521 30.872 29.762 -0.687 0.000 1.913 138 H HN 0.146 nan 8.280 nan 0.000 0.534 139 I N 2.605 123.124 120.570 -0.086 0.000 2.335 139 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 139 I C 1.243 177.175 176.117 -0.309 0.000 1.129 139 I CA 1.392 62.684 61.300 -0.012 0.000 1.402 139 I CB -0.667 37.398 38.000 0.108 0.000 1.069 139 I HN 0.615 nan 8.210 nan 0.000 0.424 140 F N 0.097 119.653 119.950 -0.656 0.000 2.293 140 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 140 F C 2.413 177.669 175.800 -0.907 0.000 1.086 140 F CA 0.403 57.821 58.000 -0.971 0.000 1.375 140 F CB -0.583 37.791 39.000 -1.043 0.000 1.045 140 F HN 0.127 nan 8.300 nan 0.000 0.516 141 A N 0.151 122.655 122.820 -0.527 0.000 2.015 141 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 141 A C 2.268 179.788 177.584 -0.106 0.000 1.163 141 A CA 1.637 53.535 52.037 -0.232 0.000 0.646 141 A CB -0.954 18.051 19.000 0.008 0.000 0.806 141 A HN 0.304 nan 8.150 nan 0.000 0.448 142 V N -2.739 117.103 119.914 -0.119 0.000 2.725 142 V HA 0.213 4.333 4.120 -0.000 0.000 0.247 142 V C 2.343 178.436 176.094 -0.003 0.000 1.058 142 V CA 1.477 63.731 62.300 -0.076 0.000 1.080 142 V CB -0.703 31.087 31.823 -0.055 0.000 0.713 142 V HN 0.458 nan 8.190 nan 0.000 0.465 143 A N 0.634 123.366 122.820 -0.147 0.000 1.883 143 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 143 A C 2.160 179.785 177.584 0.069 0.000 1.186 143 A CA 2.249 54.184 52.037 -0.170 0.000 0.624 143 A CB -0.839 17.702 19.000 -0.764 0.000 0.822 143 A HN 0.665 nan 8.150 nan 0.000 0.444 144 E N 0.272 120.372 120.200 -0.166 0.000 2.049 144 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 144 E C 1.975 178.736 176.600 0.268 0.000 1.007 144 E CA 1.816 58.311 56.400 0.159 0.000 0.809 144 E CB -0.360 29.420 29.700 0.133 0.000 0.749 144 E HN 0.547 nan 8.360 nan 0.000 0.450 145 E N -0.071 120.241 120.200 0.187 0.000 2.085 145 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 145 E C 1.935 178.722 176.600 0.311 0.000 0.994 145 E CA 1.168 57.699 56.400 0.218 0.000 0.801 145 E CB -0.399 29.371 29.700 0.116 0.000 0.743 145 E HN 0.357 nan 8.360 nan 0.000 0.453 146 A N 0.472 123.525 122.820 0.389 0.000 1.865 146 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 146 A C 2.147 179.874 177.584 0.237 0.000 1.191 146 A CA 1.713 53.951 52.037 0.334 0.000 0.623 146 A CB -1.040 18.222 19.000 0.437 0.000 0.826 146 A HN 0.385 nan 8.150 nan 0.000 0.444 147 Y N 0.641 121.080 120.300 0.233 0.000 2.293 147 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 147 Y C 2.681 178.589 175.900 0.013 0.000 1.137 147 Y CA 2.704 60.867 58.100 0.106 0.000 1.202 147 Y CB -0.221 38.421 38.460 0.304 0.000 0.990 147 Y HN 0.335 nan 8.280 nan 0.000 0.537 148 K N -0.030 120.488 120.400 0.197 0.000 2.365 148 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 148 K C 1.770 178.359 176.600 -0.020 0.000 1.042 148 K CA 1.426 57.759 56.287 0.077 0.000 0.987 148 K CB -0.461 32.125 32.500 0.143 0.000 0.779 148 K HN 0.603 nan 8.250 nan 0.000 0.484 149 Q N -1.241 118.561 119.800 0.003 0.000 2.250 149 Q HA 0.212 4.552 4.340 -0.000 0.000 0.200 149 Q C 2.232 178.174 176.000 -0.098 0.000 0.941 149 Q CA 0.800 56.589 55.803 -0.023 0.000 0.872 149 Q CB 0.071 28.827 28.738 0.029 0.000 0.965 149 Q HN 0.651 nan 8.270 nan 0.000 0.480 150 M N 0.092 119.599 119.600 -0.155 0.000 2.080 150 M HA -0.222 4.258 4.480 -0.000 0.000 0.260 150 M C 1.924 178.103 176.300 -0.202 0.000 1.068 150 M CA 1.913 57.102 55.300 -0.185 0.000 1.109 150 M CB -0.061 32.360 32.600 -0.299 0.000 1.342 150 M HN 0.242 nan 8.290 nan 0.000 0.405 151 A N 1.232 123.775 122.820 -0.462 0.000 1.832 151 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 151 A C 2.124 179.495 177.584 -0.354 0.000 1.204 151 A CA 1.863 53.462 52.037 -0.730 0.000 0.606 151 A CB -0.858 17.614 19.000 -0.881 0.000 0.849 151 A HN 0.720 nan 8.150 nan 0.000 0.445 152 R N -1.125 119.235 120.500 -0.234 0.000 2.235 152 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 152 R C 0.194 176.449 176.300 -0.076 0.000 1.059 152 R CA 1.784 57.804 56.100 -0.132 0.000 0.997 152 R CB -0.253 29.994 30.300 -0.088 0.000 0.884 152 R HN 0.308 nan 8.270 nan 0.000 0.462 153 D N 0.309 120.668 120.400 -0.067 0.000 2.441 153 D HA 0.057 4.697 4.640 -0.000 0.000 0.210 153 D C -0.473 175.813 176.300 -0.024 0.000 1.102 153 D CA 0.136 54.115 54.000 -0.035 0.000 0.840 153 D CB 0.510 41.296 40.800 -0.023 0.000 0.990 153 D HN 0.154 nan 8.370 nan 0.000 0.505 154 E N 0.585 120.774 120.200 -0.018 0.000 2.320 154 E HA -0.230 4.120 4.350 -0.000 0.000 0.234 154 E C -0.292 176.309 176.600 0.001 0.000 1.183 154 E CA 0.565 56.989 56.400 0.040 0.000 0.713 154 E CB -0.985 28.750 29.700 0.060 0.000 1.226 154 E HN 0.391 nan 8.360 nan 0.000 0.382 155 R N 0.760 121.238 120.500 -0.038 0.000 2.575 155 R HA 0.290 4.630 4.340 -0.000 0.000 0.293 155 R C 0.198 176.412 176.300 -0.144 0.000 0.983 155 R CA -0.896 55.153 56.100 -0.085 0.000 0.887 155 R CB 1.271 31.532 30.300 -0.064 0.000 1.184 155 R HN 0.012 nan 8.270 nan 0.000 0.445 156 N N 2.270 120.814 118.700 -0.261 0.000 2.344 156 N HA 0.015 4.755 4.740 -0.000 0.000 0.236 156 N C -0.355 175.038 175.510 -0.194 0.000 1.279 156 N CA 0.418 53.222 53.050 -0.410 0.000 0.882 156 N CB 0.741 38.643 38.487 -0.974 0.000 1.110 156 N HN 0.367 nan 8.380 nan 0.000 0.436 157 Q N 0.116 119.855 119.800 -0.100 0.000 2.359 157 Q HA 0.453 4.793 4.340 -0.000 0.000 0.274 157 Q C -1.066 174.987 176.000 0.088 0.000 1.074 157 Q CA -0.739 55.041 55.803 -0.039 0.000 0.810 157 Q CB 2.093 30.789 28.738 -0.069 0.000 1.342 157 Q HN 0.597 nan 8.270 nan 0.000 0.427 158 S N 1.199 116.933 115.700 0.057 0.000 2.536 158 S HA 0.741 5.211 4.470 -0.000 0.000 0.298 158 S C -0.106 174.499 174.600 0.009 0.000 1.083 158 S CA -0.774 57.505 58.200 0.131 0.000 0.995 158 S CB 1.389 64.737 63.200 0.247 0.000 1.058 158 S HN 0.517 nan 8.310 nan 0.000 0.488 159 I N 2.692 123.297 120.570 0.059 0.000 2.382 159 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 159 I C -0.787 175.327 176.117 -0.005 0.000 1.007 159 I CA -0.719 60.594 61.300 0.023 0.000 1.142 159 I CB 1.077 39.149 38.000 0.121 0.000 1.289 159 I HN 0.502 nan 8.210 nan 0.000 0.453 160 I N 7.545 128.043 120.570 -0.120 0.000 2.363 160 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 160 I C 0.140 176.263 176.117 0.010 0.000 1.075 160 I CA -0.306 60.952 61.300 -0.070 0.000 1.333 160 I CB 0.891 38.806 38.000 -0.140 0.000 1.415 160 I HN 0.172 nan 8.210 nan 0.000 0.502 161 V N 6.081 126.003 119.914 0.013 0.000 2.259 161 V HA 0.220 4.340 4.120 -0.000 0.000 0.267 161 V C 0.620 176.714 176.094 0.001 0.000 1.051 161 V CA -0.545 61.765 62.300 0.016 0.000 0.830 161 V CB 0.402 32.226 31.823 0.003 0.000 1.080 161 V HN 0.834 nan 8.190 nan 0.000 0.467 162 S N 2.633 118.346 115.700 0.022 0.000 2.616 162 S HA 0.970 5.440 4.470 -0.000 0.000 0.277 162 S C 0.381 174.986 174.600 0.007 0.000 1.234 162 S CA 0.101 58.305 58.200 0.007 0.000 1.028 162 S CB 2.163 65.368 63.200 0.009 0.000 0.988 162 S HN 1.324 nan 8.310 nan 0.000 0.522 163 G N 0.149 108.958 108.800 0.014 0.000 2.344 163 G HA2 0.276 4.236 3.960 -0.000 0.000 0.282 163 G HA3 0.276 4.236 3.960 -0.000 0.000 0.282 163 G C -1.471 173.451 174.900 0.036 0.000 1.281 163 G CA -0.736 44.372 45.100 0.013 0.000 0.877 163 G HN 0.629 nan 8.290 nan 0.000 0.494 164 E N 0.512 120.729 120.200 0.029 0.000 3.388 164 E HA 0.413 4.763 4.350 -0.000 0.000 0.214 164 E C 0.248 176.880 176.600 0.053 0.000 1.040 164 E CA 0.271 56.703 56.400 0.053 0.000 1.327 164 E CB 0.196 29.920 29.700 0.039 0.000 1.243 164 E HN 0.857 nan 8.360 nan 0.000 0.444 165 S N -0.023 115.706 115.700 0.048 0.000 3.509 165 S HA -0.232 4.238 4.470 -0.000 0.000 0.314 165 S C 0.747 175.380 174.600 0.055 0.000 0.844 165 S CA 1.291 59.522 58.200 0.052 0.000 1.361 165 S CB -1.239 62.012 63.200 0.085 0.000 1.359 165 S HN 0.898 nan 8.310 nan 0.000 0.501 166 G N 1.930 110.756 108.800 0.045 0.000 2.227 166 G HA2 0.157 4.117 3.960 -0.000 0.000 0.168 166 G HA3 0.157 4.117 3.960 -0.000 0.000 0.168 166 G C 0.292 175.223 174.900 0.051 0.000 1.006 166 G CA 0.427 45.567 45.100 0.067 0.000 0.684 166 G HN 1.915 nan 8.290 nan 0.000 0.489 167 A N 0.405 123.222 122.820 -0.005 0.000 2.610 167 A HA 0.675 4.995 4.320 -0.000 0.000 0.286 167 A C 1.799 179.324 177.584 -0.099 0.000 1.306 167 A CA 1.151 53.145 52.037 -0.071 0.000 0.942 167 A CB -0.552 18.407 19.000 -0.067 0.000 1.112 167 A HN 2.248 nan 8.150 nan 0.000 0.527 168 G N 0.119 108.879 108.800 -0.066 0.000 2.204 168 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 168 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 168 G C 0.833 175.706 174.900 -0.044 0.000 1.062 168 G CA 0.514 45.579 45.100 -0.058 0.000 0.798 168 G HN 0.444 nan 8.290 nan 0.000 0.496 169 K N -0.484 119.896 120.400 -0.033 0.000 2.001 169 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 169 K C 2.961 179.536 176.600 -0.041 0.000 1.048 169 K CA 2.026 58.293 56.287 -0.034 0.000 0.932 169 K CB -0.359 32.124 32.500 -0.029 0.000 0.715 169 K HN 0.622 nan 8.250 nan 0.000 0.437 170 T N -0.535 113.995 114.554 -0.040 0.000 2.821 170 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 170 T C 2.129 176.769 174.700 -0.101 0.000 1.046 170 T CA 0.981 63.045 62.100 -0.060 0.000 1.139 170 T CB -0.449 68.392 68.868 -0.044 0.000 0.871 170 T HN -0.101 nan 8.240 nan 0.000 0.454 171 V N 1.666 121.533 119.914 -0.077 0.000 2.219 171 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 171 V C 2.990 179.009 176.094 -0.127 0.000 1.053 171 V CA 2.388 64.633 62.300 -0.093 0.000 1.009 171 V CB -1.226 30.617 31.823 0.033 0.000 0.636 171 V HN 0.622 nan 8.190 nan 0.000 0.445 172 S N -1.079 114.592 115.700 -0.048 0.000 2.493 172 S HA -0.140 4.330 4.470 -0.000 0.000 0.243 172 S C 1.821 176.387 174.600 -0.055 0.000 0.991 172 S CA 1.269 59.454 58.200 -0.026 0.000 0.957 172 S CB -0.260 62.936 63.200 -0.006 0.000 0.756 172 S HN 0.633 nan 8.310 nan 0.000 0.521 173 A N 0.614 123.379 122.820 -0.092 0.000 1.956 173 A HA 0.259 4.579 4.320 -0.000 0.000 0.212 173 A C 2.105 179.607 177.584 -0.137 0.000 1.188 173 A CA 1.305 53.291 52.037 -0.085 0.000 0.675 173 A CB -0.923 18.034 19.000 -0.072 0.000 0.845 173 A HN 0.547 nan 8.150 nan 0.000 0.455 174 K N -0.540 119.696 120.400 -0.272 0.000 1.965 174 K HA -0.156 4.164 4.320 -0.000 0.000 0.214 174 K C 1.763 178.174 176.600 -0.316 0.000 1.046 174 K CA 1.833 57.872 56.287 -0.414 0.000 0.944 174 K CB -1.490 30.512 32.500 -0.831 0.000 0.726 174 K HN 0.565 nan 8.250 nan 0.000 0.441 175 Y N 0.561 120.784 120.300 -0.128 0.000 2.616 175 Y HA 0.295 4.845 4.550 -0.000 0.000 0.296 175 Y C 2.708 178.632 175.900 0.040 0.000 1.154 175 Y CA -0.021 58.052 58.100 -0.046 0.000 1.325 175 Y CB -0.743 37.558 38.460 -0.265 0.000 1.007 175 Y HN 0.341 nan 8.280 nan 0.000 0.542 176 A N -0.495 122.335 122.820 0.016 0.000 2.016 176 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 176 A C 2.123 179.503 177.584 -0.340 0.000 1.162 176 A CA 1.201 53.139 52.037 -0.166 0.000 0.662 176 A CB -0.418 18.515 19.000 -0.113 0.000 0.812 176 A HN 0.410 nan 8.150 nan 0.000 0.450 177 M N -1.944 117.612 119.600 -0.073 0.000 2.447 177 M HA 0.089 4.569 4.480 -0.000 0.000 0.266 177 M C 2.206 178.548 176.300 0.070 0.000 1.120 177 M CA 0.621 55.965 55.300 0.073 0.000 1.166 177 M CB -0.106 32.551 32.600 0.095 0.000 1.349 177 M HN 0.332 nan 8.290 nan 0.000 0.463 178 R N -0.202 120.327 120.500 0.049 0.000 2.293 178 R HA -0.178 4.162 4.340 -0.000 0.000 0.219 178 R C 1.804 178.097 176.300 -0.012 0.000 1.091 178 R CA 1.240 57.374 56.100 0.057 0.000 1.004 178 R CB 0.003 30.389 30.300 0.143 0.000 0.865 178 R HN 0.418 nan 8.270 nan 0.000 0.469 179 Y N -0.877 119.296 120.300 -0.213 0.000 2.301 179 Y HA -0.052 4.498 4.550 -0.000 0.000 0.295 179 Y C 1.261 177.020 175.900 -0.235 0.000 1.119 179 Y CA 0.893 58.778 58.100 -0.357 0.000 1.162 179 Y CB 0.005 38.160 38.460 -0.508 0.000 1.046 179 Y HN -0.087 nan 8.280 nan 0.000 0.538 180 F N 0.195 120.228 119.950 0.138 0.000 2.451 180 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 180 F C 2.282 178.089 175.800 0.012 0.000 1.101 180 F CA 0.679 58.725 58.000 0.078 0.000 1.436 180 F CB -1.145 38.058 39.000 0.339 0.000 1.074 180 F HN 0.196 nan 8.300 nan 0.000 0.553 181 A N -0.412 122.494 122.820 0.143 0.000 1.844 181 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 181 A C 2.282 179.853 177.584 -0.022 0.000 1.221 181 A CA 1.687 53.778 52.037 0.090 0.000 0.607 181 A CB -1.258 17.779 19.000 0.063 0.000 0.878 181 A HN 0.244 nan 8.150 nan 0.000 0.451 182 T N 0.548 115.033 114.554 -0.115 0.000 2.567 182 T HA -0.234 4.116 4.350 -0.000 0.000 0.261 182 T C 1.541 176.118 174.700 -0.206 0.000 1.123 182 T CA 2.631 64.621 62.100 -0.184 0.000 1.166 182 T CB -1.016 67.671 68.868 -0.302 0.000 0.860 182 T HN 0.881 nan 8.240 nan 0.000 0.436 183 V N -0.541 119.172 119.914 -0.335 0.000 3.451 183 V HA 0.379 4.499 4.120 -0.000 0.000 0.332 183 V C 0.792 176.788 176.094 -0.164 0.000 1.198 183 V CA 0.625 62.737 62.300 -0.313 0.000 1.317 183 V CB -0.728 30.787 31.823 -0.513 0.000 1.117 183 V HN 0.380 nan 8.190 nan 0.000 0.421 184 S N -0.819 114.851 115.700 -0.050 0.000 3.916 184 S HA 0.695 5.165 4.470 -0.000 0.000 0.231 184 S C 0.971 175.621 174.600 0.083 0.000 1.161 184 S CA 0.358 58.605 58.200 0.079 0.000 0.938 184 S CB 0.944 64.257 63.200 0.188 0.000 1.170 184 S HN 1.056 nan 8.310 nan 0.000 0.508 185 G N 1.168 110.006 108.800 0.064 0.000 2.492 185 G HA2 0.281 4.241 3.960 -0.000 0.000 0.065 185 G HA3 0.281 4.241 3.960 -0.000 0.000 0.065 185 G C -0.010 174.918 174.900 0.046 0.000 0.956 185 G CA 0.241 45.374 45.100 0.056 0.000 1.223 185 G HN 0.360 nan 8.290 nan 0.000 0.511 186 S N -0.180 115.551 115.700 0.052 0.000 3.867 186 S HA 0.379 4.849 4.470 -0.000 0.000 0.290 186 S C 0.644 175.259 174.600 0.025 0.000 1.653 186 S CA 1.840 60.061 58.200 0.035 0.000 1.329 186 S CB -0.326 62.895 63.200 0.034 0.000 0.621 186 S HN 2.098 nan 8.310 nan 0.000 0.373 192 V N -1.001 118.909 119.914 -0.006 0.000 3.432 192 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 192 V C 0.731 176.817 176.094 -0.014 0.000 1.591 192 V CA 0.798 63.088 62.300 -0.018 0.000 1.069 192 V CB 0.343 32.157 31.823 -0.014 0.000 0.892 192 V HN 0.679 nan 8.190 nan 0.000 0.436 193 E N 0.355 120.551 120.200 -0.006 0.000 2.500 193 E HA 0.140 4.490 4.350 -0.000 0.000 0.217 193 E C 1.664 178.250 176.600 -0.025 0.000 0.848 193 E CA 0.625 57.018 56.400 -0.011 0.000 1.217 193 E CB 0.146 29.847 29.700 0.002 0.000 1.217 193 E HN 0.552 nan 8.360 nan 0.000 0.573 194 E N 0.739 120.929 120.200 -0.017 0.000 2.015 194 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 194 E C 2.664 179.249 176.600 -0.024 0.000 0.991 194 E CA 1.957 58.346 56.400 -0.017 0.000 0.802 194 E CB -0.169 29.527 29.700 -0.007 0.000 0.759 194 E HN 0.397 nan 8.360 nan 0.000 0.447 195 K N 0.561 120.944 120.400 -0.028 0.000 2.103 195 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 195 K C 2.122 178.694 176.600 -0.046 0.000 1.048 195 K CA 1.607 57.872 56.287 -0.037 0.000 0.930 195 K CB -1.217 31.256 32.500 -0.045 0.000 0.716 195 K HN 0.113 nan 8.250 nan 0.000 0.444 196 V N 0.576 120.461 119.914 -0.048 0.000 2.307 196 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 196 V C 2.926 178.993 176.094 -0.045 0.000 1.045 196 V CA 2.070 64.338 62.300 -0.053 0.000 1.024 196 V CB -0.502 31.291 31.823 -0.051 0.000 0.651 196 V HN 0.628 nan 8.190 nan 0.000 0.449 197 L N -0.908 120.289 121.223 -0.044 0.000 2.558 197 L HA 0.578 4.918 4.340 -0.000 0.000 0.225 197 L C 2.390 179.241 176.870 -0.031 0.000 1.128 197 L CA 1.571 56.385 54.840 -0.044 0.000 0.868 197 L CB -1.635 40.386 42.059 -0.063 0.000 1.006 197 L HN 0.377 nan 8.230 nan 0.000 0.454 198 A N -0.123 122.680 122.820 -0.028 0.000 1.898 198 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 198 A C 2.664 180.238 177.584 -0.018 0.000 1.183 198 A CA 1.511 53.537 52.037 -0.018 0.000 0.622 198 A CB -0.701 18.289 19.000 -0.017 0.000 0.824 198 A HN 1.215 nan 8.150 nan 0.000 0.444 199 S N -0.013 115.670 115.700 -0.028 0.000 2.595 199 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 199 S C 1.278 175.865 174.600 -0.022 0.000 0.974 199 S CA 1.152 59.333 58.200 -0.032 0.000 0.942 199 S CB -0.731 62.438 63.200 -0.052 0.000 0.766 199 S HN 0.501 nan 8.310 nan 0.000 0.536 200 N N 2.677 121.369 118.700 -0.014 0.000 2.381 200 N HA 0.067 4.807 4.740 -0.000 0.000 0.182 200 N C -1.212 174.304 175.510 0.011 0.000 1.025 200 N CA 0.927 53.978 53.050 0.000 0.000 0.888 200 N CB -0.440 38.042 38.487 -0.007 0.000 0.965 200 N HN 0.507 nan 8.380 nan 0.000 0.438 201 P HA 0.100 nan 4.420 nan 0.000 0.234 201 P C 1.206 178.513 177.300 0.011 0.000 1.175 201 P CA 0.512 63.617 63.100 0.008 0.000 0.801 201 P CB 0.377 32.082 31.700 0.009 0.000 0.891 202 I N -0.448 120.120 120.570 -0.005 0.000 2.058 202 I HA -0.249 3.921 4.170 -0.000 0.000 0.235 202 I C 2.486 178.566 176.117 -0.062 0.000 1.053 202 I CA 1.586 62.865 61.300 -0.035 0.000 1.313 202 I CB -0.833 37.126 38.000 -0.069 0.000 1.039 202 I HN -0.150 nan 8.210 nan 0.000 0.396 203 M N 0.036 119.599 119.600 -0.061 0.000 2.149 203 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 203 M C 2.248 178.616 176.300 0.113 0.000 1.064 203 M CA 1.636 56.913 55.300 -0.038 0.000 1.102 203 M CB -1.360 31.283 32.600 0.072 0.000 1.369 203 M HN 0.339 nan 8.290 nan 0.000 0.408 204 E N 0.191 120.462 120.200 0.118 0.000 2.150 204 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 204 E C 1.981 178.676 176.600 0.160 0.000 0.985 204 E CA 1.574 58.066 56.400 0.153 0.000 0.814 204 E CB 0.226 29.956 29.700 0.051 0.000 0.752 204 E HN 0.567 nan 8.360 nan 0.000 0.466 205 S N 0.608 116.375 115.700 0.112 0.000 2.388 205 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 205 S C 1.965 176.717 174.600 0.253 0.000 1.034 205 S CA 0.745 59.056 58.200 0.185 0.000 0.963 205 S CB -0.521 62.757 63.200 0.129 0.000 0.827 205 S HN 0.471 nan 8.310 nan 0.000 0.481 206 I N -1.642 118.987 120.570 0.098 0.000 3.861 206 I HA 0.610 4.780 4.170 -0.000 0.000 0.329 206 I C 1.318 177.458 176.117 0.038 0.000 1.321 206 I CA 0.120 61.445 61.300 0.041 0.000 1.126 206 I CB 0.061 37.931 38.000 -0.217 0.000 1.018 206 I HN 0.332 nan 8.210 nan 0.000 0.407 207 G N 0.208 109.106 108.800 0.163 0.000 2.801 207 G HA2 0.230 4.190 3.960 -0.000 0.000 0.191 207 G HA3 0.230 4.190 3.960 -0.000 0.000 0.191 207 G C -0.014 175.322 174.900 0.728 0.000 1.223 207 G CA -0.209 44.984 45.100 0.155 0.000 0.904 207 G HN 0.212 nan 8.290 nan 0.000 0.789 208 N N 0.666 119.800 118.700 0.723 0.000 2.404 208 N HA 0.818 5.558 4.740 -0.000 0.000 0.297 208 N C -0.611 175.305 175.510 0.678 0.000 1.163 208 N CA 0.050 53.499 53.050 0.664 0.000 0.864 208 N CB 2.117 40.884 38.487 0.467 0.000 1.247 208 N HN 0.328 nan 8.380 nan 0.000 0.510 209 A N -0.714 122.345 122.820 0.399 0.000 2.594 209 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 209 A C -0.604 176.995 177.584 0.025 0.000 1.061 209 A CA -0.846 51.210 52.037 0.033 0.000 0.689 209 A CB 0.340 19.242 19.000 -0.163 0.000 1.280 209 A HN 0.649 nan 8.150 nan 0.000 0.406 210 K N 0.414 120.743 120.400 -0.118 0.000 2.447 210 K HA 0.579 4.898 4.320 -0.000 0.000 0.281 210 K C 0.492 177.058 176.600 -0.058 0.000 1.031 210 K CA 1.019 57.264 56.287 -0.069 0.000 1.019 210 K CB -0.857 31.559 32.500 -0.141 0.000 0.918 210 K HN 2.152 nan 8.250 nan 0.000 0.476 211 T N -0.007 114.541 114.554 -0.011 0.000 2.893 211 T HA 0.622 4.972 4.350 -0.000 0.000 0.279 211 T C 1.832 176.489 174.700 -0.072 0.000 0.991 211 T CA 0.458 62.558 62.100 -0.001 0.000 0.950 211 T CB 0.039 68.958 68.868 0.084 0.000 1.223 211 T HN 0.899 nan 8.240 nan 0.000 0.585 212 T N -0.073 114.407 114.554 -0.124 0.000 3.051 212 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 212 T C 1.303 175.850 174.700 -0.254 0.000 1.127 212 T CA 0.814 62.789 62.100 -0.209 0.000 1.107 212 T CB -0.079 68.620 68.868 -0.282 0.000 0.898 212 T HN 0.441 nan 8.240 nan 0.000 0.517 213 R N 1.147 121.507 120.500 -0.233 0.000 2.688 213 R HA 0.331 4.671 4.340 -0.000 0.000 0.396 213 R C -0.749 175.503 176.300 -0.080 0.000 1.081 213 R CA -0.272 55.712 56.100 -0.194 0.000 1.093 213 R CB 0.225 30.365 30.300 -0.268 0.000 1.338 213 R HN 0.312 nan 8.270 nan 0.000 0.613 214 N N -0.875 117.790 118.700 -0.059 0.000 4.310 214 N HA -0.026 4.714 4.740 -0.000 0.000 0.212 214 N C -1.430 174.078 175.510 -0.002 0.000 1.277 214 N CA 0.588 53.631 53.050 -0.010 0.000 0.854 214 N CB 1.066 39.581 38.487 0.046 0.000 1.480 214 N HN 0.159 nan 8.380 nan 0.000 0.489 215 D N -0.447 119.970 120.400 0.028 0.000 2.540 215 D HA 0.263 4.902 4.640 -0.000 0.000 0.229 215 D C 0.030 176.420 176.300 0.149 0.000 1.250 215 D CA -0.056 53.975 54.000 0.051 0.000 0.817 215 D CB -0.068 40.749 40.800 0.028 0.000 1.060 215 D HN 0.481 nan 8.370 nan 0.000 0.508 216 N N -0.309 118.489 118.700 0.163 0.000 2.820 216 N HA 0.170 4.910 4.740 -0.000 0.000 0.209 216 N C -1.333 174.302 175.510 0.209 0.000 1.406 216 N CA -0.077 53.117 53.050 0.239 0.000 0.916 216 N CB 1.125 39.689 38.487 0.129 0.000 1.532 216 N HN 0.138 nan 8.380 nan 0.000 0.559 217 S N 0.487 116.323 115.700 0.228 0.000 2.562 217 S HA 0.661 5.131 4.470 -0.000 0.000 0.275 217 S C 0.355 175.132 174.600 0.295 0.000 1.281 217 S CA -0.183 58.150 58.200 0.221 0.000 1.045 217 S CB 0.695 64.016 63.200 0.202 0.000 0.962 217 S HN 0.501 nan 8.310 nan 0.000 0.503 218 S N 4.062 119.917 115.700 0.258 0.000 2.400 218 S HA 0.361 4.831 4.470 -0.000 0.000 0.295 218 S C 0.756 175.603 174.600 0.412 0.000 1.113 218 S CA -0.742 57.626 58.200 0.280 0.000 1.064 218 S CB 0.173 63.370 63.200 -0.005 0.000 0.990 218 S HN 0.639 nan 8.310 nan 0.000 0.502 219 R N 2.280 123.153 120.500 0.621 0.000 2.391 219 R HA 0.270 4.610 4.340 -0.000 0.000 0.249 219 R C -0.272 176.484 176.300 0.760 0.000 0.957 219 R CA -0.114 56.390 56.100 0.675 0.000 1.093 219 R CB -1.511 29.160 30.300 0.618 0.000 1.156 219 R HN 0.782 nan 8.270 nan 0.000 0.526 220 F N -3.778 116.329 119.950 0.263 0.000 2.754 220 F HA 0.796 5.323 4.527 -0.000 0.000 0.320 220 F C -0.173 175.544 175.800 -0.138 0.000 1.156 220 F CA -1.781 56.264 58.000 0.075 0.000 0.950 220 F CB 0.854 39.919 39.000 0.108 0.000 1.388 220 F HN -0.145 nan 8.300 nan 0.000 0.485 221 G N 1.171 109.852 108.800 -0.198 0.000 2.379 221 G HA2 0.513 4.473 3.960 -0.000 0.000 0.327 221 G HA3 0.513 4.473 3.960 -0.000 0.000 0.327 221 G C -1.915 172.954 174.900 -0.052 0.000 1.145 221 G CA -0.905 44.022 45.100 -0.288 0.000 0.905 221 G HN 0.785 nan 8.290 nan 0.000 0.466 222 K N 1.838 122.142 120.400 -0.159 0.000 2.449 222 K HA 0.288 4.608 4.320 -0.000 0.000 0.257 222 K C -1.644 175.044 176.600 0.147 0.000 0.989 222 K CA -0.825 55.503 56.287 0.068 0.000 0.916 222 K CB 1.034 33.501 32.500 -0.055 0.000 1.136 222 K HN 0.482 nan 8.250 nan 0.000 0.439 223 Y N 6.003 126.361 120.300 0.095 0.000 2.717 223 Y HA 0.325 4.875 4.550 -0.000 0.000 0.329 223 Y C -0.630 175.284 175.900 0.025 0.000 1.017 223 Y CA -0.955 57.181 58.100 0.059 0.000 1.275 223 Y CB 0.231 38.771 38.460 0.133 0.000 1.109 223 Y HN 0.492 nan 8.280 nan 0.000 0.511 224 I N 5.298 125.737 120.570 -0.219 0.000 2.421 224 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 224 I C 0.204 176.066 176.117 -0.426 0.000 1.089 224 I CA 0.275 61.427 61.300 -0.248 0.000 1.354 224 I CB 0.421 38.337 38.000 -0.139 0.000 1.413 224 I HN 0.481 nan 8.210 nan 0.000 0.513 225 E N 7.586 127.552 120.200 -0.389 0.000 1.865 225 E HA 0.199 4.549 4.350 -0.000 0.000 0.269 225 E C -0.418 176.060 176.600 -0.202 0.000 1.177 225 E CA -0.300 55.896 56.400 -0.340 0.000 0.932 225 E CB 0.319 29.830 29.700 -0.316 0.000 1.066 225 E HN 0.494 nan 8.360 nan 0.000 0.405 226 I N 2.560 123.017 120.570 -0.189 0.000 2.436 226 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 226 I C 1.037 176.916 176.117 -0.396 0.000 1.083 226 I CA -0.116 61.033 61.300 -0.252 0.000 1.372 226 I CB 0.592 38.479 38.000 -0.189 0.000 1.408 226 I HN 0.341 nan 8.210 nan 0.000 0.516 227 G N 5.480 114.013 108.800 -0.445 0.000 2.491 227 G HA2 0.768 4.728 3.960 -0.000 0.000 0.327 227 G HA3 0.768 4.728 3.960 -0.000 0.000 0.327 227 G C -1.120 173.361 174.900 -0.699 0.000 1.189 227 G CA -0.334 44.547 45.100 -0.365 0.000 0.956 227 G HN 0.367 nan 8.290 nan 0.000 0.491 228 F N -0.586 119.370 119.950 0.010 0.000 2.626 228 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 228 F C 0.220 175.977 175.800 -0.071 0.000 1.088 228 F CA -0.967 57.011 58.000 -0.037 0.000 0.949 228 F CB 2.104 41.057 39.000 -0.079 0.000 1.322 228 F HN 0.596 nan 8.300 nan 0.000 0.461 229 D N 0.325 120.796 120.400 0.118 0.000 2.478 229 D HA 0.269 4.909 4.640 -0.000 0.000 0.274 229 D C 0.812 176.988 176.300 -0.206 0.000 1.234 229 D CA -0.117 53.880 54.000 -0.005 0.000 1.069 229 D CB 0.579 41.384 40.800 0.008 0.000 1.113 229 D HN 0.545 nan 8.370 nan 0.000 0.571 230 K N -0.377 119.908 120.400 -0.191 0.000 2.365 230 K HA -0.041 4.279 4.320 -0.000 0.000 0.199 230 K C 1.621 177.954 176.600 -0.445 0.000 1.045 230 K CA 0.950 57.005 56.287 -0.387 0.000 0.962 230 K CB -0.632 31.805 32.500 -0.106 0.000 0.759 230 K HN 0.329 nan 8.250 nan 0.000 0.469 231 R N -0.262 120.107 120.500 -0.219 0.000 3.130 231 R HA 0.328 4.668 4.340 -0.000 0.000 0.348 231 R C -1.111 175.226 176.300 0.062 0.000 1.241 231 R CA -0.789 55.310 56.100 -0.000 0.000 1.141 231 R CB -1.240 29.084 30.300 0.040 0.000 1.453 231 R HN 0.464 nan 8.270 nan 0.000 0.590 232 Y N -0.178 120.031 120.300 -0.151 0.000 2.967 232 Y HA -0.398 4.152 4.550 -0.000 0.000 0.208 232 Y C 0.427 176.273 175.900 -0.091 0.000 1.214 232 Y CA 0.789 58.725 58.100 -0.273 0.000 0.915 232 Y CB -1.142 37.034 38.460 -0.473 0.000 1.218 232 Y HN 0.359 nan 8.280 nan 0.000 0.472 233 R N 0.421 121.088 120.500 0.278 0.000 2.744 233 R HA 0.870 5.210 4.340 -0.000 0.000 0.279 233 R C -0.417 176.248 176.300 0.608 0.000 0.977 233 R CA -0.261 56.079 56.100 0.400 0.000 0.906 233 R CB 1.185 31.608 30.300 0.206 0.000 1.197 233 R HN 0.215 nan 8.270 nan 0.000 0.463 234 I N 5.995 126.860 120.570 0.492 0.000 2.471 234 I HA 0.110 4.280 4.170 -0.000 0.000 0.294 234 I C 1.254 177.384 176.117 0.022 0.000 1.123 234 I CA -0.280 61.124 61.300 0.172 0.000 1.336 234 I CB -0.408 37.706 38.000 0.190 0.000 1.430 234 I HN 0.806 nan 8.210 nan 0.000 0.533 235 I N 3.003 123.527 120.570 -0.076 0.000 3.039 235 I HA 0.524 4.694 4.170 -0.000 0.000 0.270 235 I C 0.777 176.851 176.117 -0.071 0.000 1.150 235 I CA 1.279 62.553 61.300 -0.043 0.000 1.448 235 I CB 0.426 38.419 38.000 -0.012 0.000 1.197 235 I HN 0.554 nan 8.210 nan 0.000 0.450 236 G N 0.618 109.341 108.800 -0.128 0.000 2.947 236 G HA2 0.731 4.691 3.960 -0.000 0.000 0.293 236 G HA3 0.731 4.691 3.960 -0.000 0.000 0.293 236 G C -1.717 173.104 174.900 -0.131 0.000 1.243 236 G CA -0.143 44.900 45.100 -0.096 0.000 0.802 236 G HN 0.712 nan 8.290 nan 0.000 0.560 237 A N -0.397 122.364 122.820 -0.099 0.000 2.483 237 A HA 0.573 4.893 4.320 -0.000 0.000 0.315 237 A C -1.341 176.178 177.584 -0.109 0.000 1.027 237 A CA -0.458 51.507 52.037 -0.120 0.000 0.996 237 A CB 0.513 19.439 19.000 -0.124 0.000 1.288 237 A HN 0.943 nan 8.150 nan 0.000 0.371 238 N N 2.236 120.883 118.700 -0.088 0.000 2.444 238 N HA 0.593 5.333 4.740 -0.000 0.000 0.262 238 N C -0.144 175.312 175.510 -0.090 0.000 0.974 238 N CA -0.431 52.585 53.050 -0.057 0.000 0.933 238 N CB 0.886 39.395 38.487 0.037 0.000 1.137 238 N HN 0.775 nan 8.380 nan 0.000 0.498 239 M N 3.374 122.915 119.600 -0.098 0.000 2.211 239 M HA 0.349 4.829 4.480 -0.000 0.000 0.356 239 M C -0.700 175.585 176.300 -0.026 0.000 1.216 239 M CA -0.195 55.069 55.300 -0.060 0.000 1.134 239 M CB 0.458 33.016 32.600 -0.070 0.000 1.564 239 M HN 0.451 nan 8.290 nan 0.000 0.463 240 R N 2.755 123.284 120.500 0.048 0.000 2.561 240 R HA 0.459 4.799 4.340 -0.000 0.000 0.297 240 R C -0.923 175.375 176.300 -0.005 0.000 0.969 240 R CA -0.769 55.315 56.100 -0.027 0.000 0.879 240 R CB 1.853 32.180 30.300 0.045 0.000 1.178 240 R HN 0.758 nan 8.270 nan 0.000 0.445 241 T N -0.176 114.294 114.554 -0.141 0.000 2.797 241 T HA 0.597 4.947 4.350 -0.000 0.000 0.279 241 T C -0.563 174.012 174.700 -0.207 0.000 0.991 241 T CA -0.522 61.626 62.100 0.080 0.000 0.979 241 T CB 0.694 69.767 68.868 0.342 0.000 0.943 241 T HN 0.457 nan 8.240 nan 0.000 0.444 242 Y N 1.215 121.582 120.300 0.113 0.000 2.662 242 Y HA 0.574 5.124 4.550 -0.000 0.000 0.335 242 Y C 0.786 176.657 175.900 -0.047 0.000 1.066 242 Y CA -2.028 56.054 58.100 -0.029 0.000 1.116 242 Y CB 1.218 39.611 38.460 -0.112 0.000 1.308 242 Y HN 0.605 nan 8.280 nan 0.000 0.502 243 L N 0.473 121.682 121.223 -0.024 0.000 3.781 243 L HA -0.247 4.093 4.340 -0.000 0.000 0.426 243 L C -0.465 176.488 176.870 0.139 0.000 1.197 243 L CA -0.055 54.680 54.840 -0.176 0.000 0.907 243 L CB -1.580 40.382 42.059 -0.162 0.000 1.812 243 L HN 0.374 nan 8.230 nan 0.000 0.956 244 L N 1.164 122.428 121.223 0.069 0.000 2.490 244 L HA 0.134 4.474 4.340 -0.000 0.000 0.274 244 L C 1.022 178.007 176.870 0.193 0.000 1.201 244 L CA 0.602 55.469 54.840 0.046 0.000 0.869 244 L CB 0.581 42.433 42.059 -0.345 0.000 1.123 244 L HN 0.107 nan 8.230 nan 0.000 0.484 245 E N 3.754 124.143 120.200 0.315 0.000 1.936 245 E HA 0.171 4.521 4.350 -0.000 0.000 0.267 245 E C 0.890 177.689 176.600 0.332 0.000 1.076 245 E CA 0.313 56.923 56.400 0.351 0.000 0.870 245 E CB 0.734 30.655 29.700 0.368 0.000 1.093 245 E HN 0.803 nan 8.360 nan 0.000 0.411 246 K N 1.580 122.115 120.400 0.226 0.000 2.062 246 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 246 K C 1.930 178.616 176.600 0.142 0.000 1.051 246 K CA 1.679 58.070 56.287 0.174 0.000 0.941 246 K CB -0.787 31.792 32.500 0.132 0.000 0.719 246 K HN 0.461 nan 8.250 nan 0.000 0.440 247 S N 0.750 116.542 115.700 0.153 0.000 2.393 247 S HA -0.344 4.126 4.470 -0.000 0.000 0.235 247 S C 2.181 176.854 174.600 0.121 0.000 1.061 247 S CA 1.799 60.071 58.200 0.120 0.000 1.129 247 S CB -0.541 62.751 63.200 0.153 0.000 1.011 247 S HN 0.669 nan 8.310 nan 0.000 0.436 248 R N 0.941 121.519 120.500 0.131 0.000 2.134 248 R HA -0.152 4.187 4.340 -0.000 0.000 0.248 248 R C 2.067 178.360 176.300 -0.013 0.000 1.143 248 R CA 1.853 57.977 56.100 0.041 0.000 0.957 248 R CB -0.827 29.382 30.300 -0.151 0.000 0.867 248 R HN 0.356 nan 8.270 nan 0.000 0.441 249 V N 0.219 120.146 119.914 0.021 0.000 2.660 249 V HA -0.229 3.891 4.120 -0.000 0.000 0.257 249 V C 1.934 177.777 176.094 -0.417 0.000 1.088 249 V CA 1.843 64.074 62.300 -0.115 0.000 1.106 249 V CB -0.154 31.590 31.823 -0.132 0.000 0.686 249 V HN 0.582 nan 8.190 nan 0.000 0.481 250 V N -5.321 114.382 119.914 -0.352 0.000 3.485 250 V HA 0.460 4.580 4.120 -0.000 0.000 0.280 250 V C 0.071 176.142 176.094 -0.038 0.000 1.495 250 V CA -0.190 61.839 62.300 -0.453 0.000 1.018 250 V CB 0.480 31.985 31.823 -0.529 0.000 0.818 250 V HN 0.241 nan 8.190 nan 0.000 0.436 251 F N 2.068 121.944 119.950 -0.123 0.000 2.499 251 F HA 0.840 5.367 4.527 -0.000 0.000 0.333 251 F C -0.330 175.439 175.800 -0.052 0.000 1.138 251 F CA -0.492 57.468 58.000 -0.067 0.000 0.945 251 F CB 1.793 40.771 39.000 -0.037 0.000 1.181 251 F HN 0.078 nan 8.300 nan 0.000 0.435 252 Q N 3.792 123.243 119.800 -0.581 0.000 2.252 252 Q HA 0.872 5.212 4.340 -0.000 0.000 0.256 252 Q C -0.846 174.508 176.000 -1.077 0.000 1.020 252 Q CA -0.764 54.716 55.803 -0.538 0.000 0.913 252 Q CB 1.948 30.518 28.738 -0.281 0.000 1.286 252 Q HN 0.787 nan 8.270 nan 0.000 0.480 253 A N -0.179 122.326 122.820 -0.524 0.000 2.389 253 A HA 0.506 4.826 4.320 -0.000 0.000 0.293 253 A C -0.846 176.631 177.584 -0.178 0.000 1.186 253 A CA -0.680 51.145 52.037 -0.352 0.000 0.828 253 A CB 0.735 19.728 19.000 -0.011 0.000 1.369 253 A HN 0.602 nan 8.150 nan 0.000 0.446 254 E N 1.315 121.458 120.200 -0.095 0.000 3.434 254 E HA -0.114 4.236 4.350 -0.000 0.000 0.248 254 E C 0.017 176.576 176.600 -0.068 0.000 0.895 254 E CA 1.148 57.512 56.400 -0.060 0.000 0.953 254 E CB -0.172 29.515 29.700 -0.021 0.000 0.893 254 E HN 0.620 nan 8.360 nan 0.000 0.570 255 E N 0.930 121.084 120.200 -0.076 0.000 4.067 255 E HA -0.235 4.115 4.350 -0.000 0.000 0.346 255 E C 0.208 176.745 176.600 -0.104 0.000 0.613 255 E CA 1.527 57.877 56.400 -0.083 0.000 1.252 255 E CB -0.688 28.966 29.700 -0.077 0.000 1.731 255 E HN 0.664 nan 8.360 nan 0.000 0.406 256 E N 0.132 120.267 120.200 -0.108 0.000 2.855 256 E HA 0.501 4.851 4.350 -0.000 0.000 0.259 256 E C 0.451 176.957 176.600 -0.157 0.000 1.390 256 E CA -0.293 56.038 56.400 -0.115 0.000 1.069 256 E CB 0.802 30.456 29.700 -0.076 0.000 1.172 256 E HN 0.021 nan 8.360 nan 0.000 0.668 257 R N 0.025 120.426 120.500 -0.165 0.000 2.690 257 R HA 0.193 4.533 4.340 -0.000 0.000 0.269 257 R C -1.039 175.197 176.300 -0.106 0.000 1.037 257 R CA -0.710 55.264 56.100 -0.210 0.000 0.877 257 R CB 1.277 31.293 30.300 -0.474 0.000 1.255 257 R HN 0.420 nan 8.270 nan 0.000 0.467 258 N N 0.695 119.502 118.700 0.179 0.000 2.424 258 N HA 0.102 4.842 4.740 -0.000 0.000 0.257 258 N C -0.717 174.908 175.510 0.193 0.000 1.250 258 N CA 0.219 53.389 53.050 0.200 0.000 0.946 258 N CB 0.321 39.013 38.487 0.342 0.000 1.175 258 N HN 0.273 nan 8.380 nan 0.000 0.477 259 Y N 1.124 121.596 120.300 0.286 0.000 3.053 259 Y HA -0.169 4.381 4.550 -0.000 0.000 0.346 259 Y C 1.874 177.930 175.900 0.260 0.000 1.279 259 Y CA 0.752 58.995 58.100 0.238 0.000 1.513 259 Y CB 0.044 38.635 38.460 0.219 0.000 1.295 259 Y HN 0.636 nan 8.280 nan 0.000 0.642 260 H N 2.036 121.348 119.070 0.403 0.000 2.293 260 H HA -0.153 4.403 4.556 -0.000 0.000 0.300 260 H C 2.459 177.945 175.328 0.262 0.000 1.082 260 H CA 2.391 58.629 56.048 0.317 0.000 1.308 260 H CB -0.576 29.321 29.762 0.225 0.000 1.375 260 H HN 0.742 nan 8.280 nan 0.000 0.495 261 I N 0.335 121.065 120.570 0.267 0.000 2.290 261 I HA -0.300 3.870 4.170 -0.000 0.000 0.253 261 I C 2.143 178.344 176.117 0.139 0.000 1.112 261 I CA 1.907 63.303 61.300 0.159 0.000 1.377 261 I CB -1.562 36.480 38.000 0.071 0.000 1.060 261 I HN 0.133 nan 8.210 nan 0.000 0.428 262 F N -0.217 119.856 119.950 0.205 0.000 2.031 262 F HA -0.117 4.410 4.527 -0.000 0.000 0.295 262 F C 2.425 178.147 175.800 -0.130 0.000 1.133 262 F CA 2.113 60.110 58.000 -0.005 0.000 1.188 262 F CB -1.573 37.343 39.000 -0.139 0.000 0.974 262 F HN 0.378 nan 8.300 nan 0.000 0.473 263 Y N -0.455 119.990 120.300 0.241 0.000 2.439 263 Y HA -0.152 4.398 4.550 -0.000 0.000 0.292 263 Y C 2.531 178.493 175.900 0.104 0.000 1.130 263 Y CA 1.061 59.231 58.100 0.117 0.000 1.254 263 Y CB -0.786 37.720 38.460 0.077 0.000 1.000 263 Y HN 0.178 nan 8.280 nan 0.000 0.554 264 Q N -0.057 119.913 119.800 0.283 0.000 2.084 264 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 264 Q C 2.072 178.143 176.000 0.119 0.000 0.978 264 Q CA 1.513 57.431 55.803 0.192 0.000 0.844 264 Q CB -0.212 28.651 28.738 0.207 0.000 0.898 264 Q HN 0.482 nan 8.270 nan 0.000 0.426 265 L N -0.617 120.670 121.223 0.107 0.000 2.131 265 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 265 L C 1.481 178.376 176.870 0.043 0.000 1.087 265 L CA 1.066 55.941 54.840 0.059 0.000 0.767 265 L CB -0.059 42.031 42.059 0.052 0.000 0.917 265 L HN 0.258 nan 8.230 nan 0.000 0.441 266 C N 0.181 119.478 119.300 -0.005 0.000 2.379 266 C HA 0.380 4.840 4.460 -0.000 0.000 0.346 266 C C 2.080 177.083 174.990 0.022 0.000 1.305 266 C CA 0.360 59.344 59.018 -0.056 0.000 1.657 266 C CB -2.227 25.386 27.740 -0.212 0.000 1.739 266 C HN 0.598 nan 8.230 nan 0.000 0.594 267 A N -0.187 122.666 122.820 0.055 0.000 2.074 267 A HA 0.202 4.522 4.320 -0.000 0.000 0.200 267 A C 1.132 178.737 177.584 0.034 0.000 1.335 267 A CA 0.205 52.278 52.037 0.060 0.000 0.922 267 A CB -0.033 19.015 19.000 0.081 0.000 0.972 267 A HN 0.459 nan 8.150 nan 0.000 0.475 268 S N 0.847 116.564 115.700 0.029 0.000 2.921 268 S HA 0.586 5.056 4.470 -0.000 0.000 0.244 268 S C 0.653 175.281 174.600 0.046 0.000 1.291 268 S CA 0.093 58.285 58.200 -0.013 0.000 1.010 268 S CB 1.059 64.205 63.200 -0.090 0.000 1.255 268 S HN 0.612 nan 8.310 nan 0.000 0.492 269 A N 2.135 124.981 122.820 0.042 0.000 1.993 269 A HA 0.620 4.940 4.320 -0.000 0.000 0.207 269 A C 1.560 179.181 177.584 0.061 0.000 1.224 269 A CA 0.375 52.458 52.037 0.077 0.000 0.749 269 A CB -0.271 18.774 19.000 0.074 0.000 0.884 269 A HN 0.756 nan 8.150 nan 0.000 0.467 270 A N 0.057 122.890 122.820 0.021 0.000 2.840 270 A HA 0.556 4.876 4.320 -0.000 0.000 0.269 270 A C 0.214 177.774 177.584 -0.040 0.000 1.439 270 A CA -0.225 51.815 52.037 0.005 0.000 1.083 270 A CB -0.897 18.106 19.000 0.005 0.000 1.019 270 A HN 0.455 nan 8.150 nan 0.000 0.607 271 L N 0.182 121.359 121.223 -0.078 0.000 2.326 271 L HA 0.355 4.695 4.340 -0.000 0.000 0.278 271 L C -1.782 175.040 176.870 -0.080 0.000 1.092 271 L CA -2.077 52.665 54.840 -0.163 0.000 0.810 271 L CB 1.470 43.270 42.059 -0.432 0.000 1.153 271 L HN 0.117 nan 8.230 nan 0.000 0.439 272 P HA 0.059 nan 4.420 nan 0.000 0.297 272 P C 0.022 177.304 177.300 -0.030 0.000 1.544 272 P CA 0.908 63.984 63.100 -0.040 0.000 0.798 272 P CB 0.028 31.702 31.700 -0.043 0.000 1.757 273 E N -1.872 118.326 120.200 -0.003 0.000 1.898 273 E HA 0.071 4.421 4.350 -0.000 0.000 0.203 273 E C 0.682 177.457 176.600 0.292 0.000 1.004 273 E CA -0.439 56.007 56.400 0.077 0.000 1.292 273 E CB -0.985 28.728 29.700 0.022 0.000 3.886 273 E HN 0.292 nan 8.360 nan 0.000 0.918 274 F N 2.146 122.071 119.950 -0.042 0.000 2.873 274 F HA 0.189 4.716 4.527 -0.000 0.000 0.289 274 F C 1.909 177.700 175.800 -0.015 0.000 1.206 274 F CA 0.472 58.447 58.000 -0.042 0.000 1.401 274 F CB 0.638 39.593 39.000 -0.074 0.000 0.996 274 F HN 0.300 nan 8.300 nan 0.000 0.511 275 K N -0.669 119.826 120.400 0.159 0.000 2.044 275 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 275 K C 2.031 178.683 176.600 0.088 0.000 1.049 275 K CA 1.713 58.060 56.287 0.100 0.000 0.945 275 K CB -1.026 31.512 32.500 0.065 0.000 0.724 275 K HN 0.082 nan 8.250 nan 0.000 0.440 276 T N 0.563 115.158 114.554 0.069 0.000 2.684 276 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 276 T C 1.732 176.483 174.700 0.086 0.000 1.036 276 T CA 1.380 63.515 62.100 0.059 0.000 1.148 276 T CB -0.319 68.566 68.868 0.028 0.000 0.863 276 T HN 0.130 nan 8.240 nan 0.000 0.436 277 L N 1.012 122.280 121.223 0.075 0.000 2.089 277 L HA 0.078 4.418 4.340 -0.000 0.000 0.213 277 L C 1.579 178.579 176.870 0.216 0.000 1.079 277 L CA 1.316 56.215 54.840 0.099 0.000 0.758 277 L CB -1.428 40.644 42.059 0.021 0.000 0.891 277 L HN 0.466 nan 8.230 nan 0.000 0.433 278 R N -0.115 120.487 120.500 0.170 0.000 2.884 278 R HA -0.196 4.144 4.340 -0.000 0.000 0.251 278 R C -0.843 175.586 176.300 0.215 0.000 0.870 278 R CA -0.012 56.192 56.100 0.174 0.000 0.647 278 R CB -1.818 28.573 30.300 0.153 0.000 1.415 278 R HN 0.144 nan 8.270 nan 0.000 0.513 279 L N 0.133 121.463 121.223 0.178 0.000 2.379 279 L HA 0.650 4.990 4.340 -0.000 0.000 0.269 279 L C 1.455 178.404 176.870 0.132 0.000 1.084 279 L CA 0.059 54.971 54.840 0.121 0.000 0.802 279 L CB 1.366 43.426 42.059 0.002 0.000 1.175 279 L HN 0.327 nan 8.230 nan 0.000 0.448 280 G N -0.020 108.844 108.800 0.107 0.000 2.887 280 G HA2 0.468 4.428 3.960 -0.000 0.000 0.277 280 G HA3 0.468 4.428 3.960 -0.000 0.000 0.277 280 G C -0.790 174.173 174.900 0.106 0.000 1.346 280 G CA -0.828 44.483 45.100 0.351 0.000 1.058 280 G HN 0.774 nan 8.290 nan 0.000 0.535 281 N N -1.034 117.810 118.700 0.239 0.000 2.424 281 N HA 0.411 5.151 4.740 -0.000 0.000 0.257 281 N C 1.504 177.088 175.510 0.122 0.000 1.250 281 N CA 0.359 53.489 53.050 0.133 0.000 0.946 281 N CB 1.035 39.613 38.487 0.152 0.000 1.175 281 N HN 0.639 nan 8.380 nan 0.000 0.477 282 A N 1.512 124.390 122.820 0.097 0.000 1.899 282 A HA -0.438 3.882 4.320 -0.000 0.000 0.230 282 A C 1.744 179.442 177.584 0.189 0.000 1.593 282 A CA 2.841 54.968 52.037 0.150 0.000 0.728 282 A CB -1.723 17.479 19.000 0.337 0.000 0.848 282 A HN 0.887 nan 8.150 nan 0.000 0.490 283 N N -2.132 116.688 118.700 0.199 0.000 2.381 283 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 283 N C 1.388 177.041 175.510 0.239 0.000 1.025 283 N CA 1.374 54.531 53.050 0.177 0.000 0.888 283 N CB -0.336 38.228 38.487 0.129 0.000 0.965 283 N HN 0.718 nan 8.380 nan 0.000 0.438 284 Y N 0.173 120.572 120.300 0.165 0.000 2.420 284 Y HA 0.289 4.839 4.550 -0.000 0.000 0.292 284 Y C -0.276 175.690 175.900 0.110 0.000 1.119 284 Y CA -0.589 57.606 58.100 0.159 0.000 1.229 284 Y CB -0.266 38.341 38.460 0.246 0.000 1.026 284 Y HN -0.147 nan 8.280 nan 0.000 0.554 285 F N -0.453 119.472 119.950 -0.042 0.000 2.458 285 F HA 0.226 4.753 4.527 -0.000 0.000 0.330 285 F C 1.556 177.299 175.800 -0.095 0.000 1.082 285 F CA -0.607 57.287 58.000 -0.177 0.000 0.995 285 F CB 1.056 39.898 39.000 -0.264 0.000 1.170 285 F HN -0.109 nan 8.300 nan 0.000 0.478 286 H N 1.384 120.372 119.070 -0.137 0.000 2.462 286 H HA -0.071 4.485 4.556 -0.000 0.000 0.292 286 H C 0.915 176.260 175.328 0.029 0.000 1.049 286 H CA 1.804 57.780 56.048 -0.121 0.000 1.334 286 H CB 0.122 29.720 29.762 -0.274 0.000 1.404 286 H HN 0.489 nan 8.280 nan 0.000 0.544 287 Y N 0.146 120.361 120.300 -0.142 0.000 2.470 287 Y HA 0.185 4.735 4.550 -0.000 0.000 0.284 287 Y C 1.031 176.760 175.900 -0.286 0.000 1.188 287 Y CA 0.655 58.601 58.100 -0.256 0.000 1.269 287 Y CB -0.186 38.110 38.460 -0.273 0.000 1.094 287 Y HN 0.406 nan 8.280 nan 0.000 0.518 288 T N -5.085 109.431 114.554 -0.064 0.000 3.948 288 T HA 0.467 4.817 4.350 -0.000 0.000 0.303 288 T C 0.497 175.284 174.700 0.145 0.000 0.942 288 T CA 0.424 62.468 62.100 -0.093 0.000 1.028 288 T CB -0.429 68.064 68.868 -0.625 0.000 1.154 288 T HN 0.101 nan 8.240 nan 0.000 0.471 289 K N 0.043 120.488 120.400 0.075 0.000 2.570 289 K HA 0.380 4.700 4.320 -0.000 0.000 0.201 289 K C 1.613 178.205 176.600 -0.014 0.000 1.730 289 K CA 0.552 56.880 56.287 0.068 0.000 1.034 289 K CB -0.440 32.106 32.500 0.076 0.000 1.471 289 K HN 0.354 nan 8.250 nan 0.000 0.608 290 Q N 0.083 119.825 119.800 -0.097 0.000 2.084 290 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 290 Q C 2.342 178.253 176.000 -0.149 0.000 0.978 290 Q CA 2.306 58.014 55.803 -0.157 0.000 0.844 290 Q CB -0.116 28.447 28.738 -0.291 0.000 0.898 290 Q HN 0.621 nan 8.270 nan 0.000 0.426 291 G N -0.252 108.455 108.800 -0.156 0.000 2.394 291 G HA2 0.083 4.043 3.960 -0.000 0.000 0.215 291 G HA3 0.083 4.043 3.960 -0.000 0.000 0.215 291 G C 0.603 175.457 174.900 -0.075 0.000 1.165 291 G CA 0.333 45.356 45.100 -0.128 0.000 0.784 291 G HN 0.565 nan 8.290 nan 0.000 0.535 292 G N -0.743 108.030 108.800 -0.044 0.000 2.636 292 G HA2 0.067 4.027 3.960 -0.000 0.000 0.261 292 G HA3 0.067 4.027 3.960 -0.000 0.000 0.261 292 G C 0.093 174.971 174.900 -0.037 0.000 1.018 292 G CA 0.190 45.282 45.100 -0.013 0.000 1.308 292 G HN 1.109 nan 8.290 nan 0.000 0.514 293 S N 2.205 117.868 115.700 -0.060 0.000 2.701 293 S HA 0.355 4.825 4.470 -0.000 0.000 0.228 293 S C -0.790 173.732 174.600 -0.130 0.000 0.948 293 S CA -0.087 58.050 58.200 -0.106 0.000 1.129 293 S CB 1.585 64.688 63.200 -0.161 0.000 1.352 293 S HN 0.434 nan 8.310 nan 0.000 0.446 294 P HA -0.091 nan 4.420 nan 0.000 0.218 294 P C 0.676 177.974 177.300 -0.003 0.000 1.150 294 P CA 1.475 64.600 63.100 0.042 0.000 0.841 294 P CB -0.138 31.621 31.700 0.098 0.000 0.784 295 V N 1.028 120.930 119.914 -0.021 0.000 2.547 295 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 295 V C 0.377 176.444 176.094 -0.045 0.000 1.040 295 V CA -1.472 60.819 62.300 -0.015 0.000 0.913 295 V CB 1.117 32.943 31.823 0.005 0.000 0.992 295 V HN -0.043 nan 8.190 nan 0.000 0.449 296 I N 0.410 120.964 120.570 -0.027 0.000 2.371 296 I HA 0.490 4.660 4.170 -0.000 0.000 0.282 296 I C -0.775 175.342 176.117 -0.000 0.000 1.031 296 I CA -0.555 60.732 61.300 -0.022 0.000 1.180 296 I CB 0.918 38.915 38.000 -0.005 0.000 1.336 296 I HN 0.589 nan 8.210 nan 0.000 0.467 297 D N 6.199 126.595 120.400 -0.005 0.000 2.449 297 D HA 0.335 4.975 4.640 -0.000 0.000 0.278 297 D C 0.965 177.268 176.300 0.005 0.000 1.417 297 D CA 1.498 55.499 54.000 0.002 0.000 1.192 297 D CB 0.432 41.232 40.800 -0.000 0.000 1.129 297 D HN 0.985 nan 8.370 nan 0.000 0.539 298 G N 0.502 109.309 108.800 0.012 0.000 4.460 298 G HA2 0.139 4.099 3.960 -0.000 0.000 0.182 298 G HA3 0.139 4.099 3.960 -0.000 0.000 0.182 298 G C 0.193 175.107 174.900 0.024 0.000 1.512 298 G CA 0.052 45.161 45.100 0.014 0.000 0.856 298 G HN 0.578 nan 8.290 nan 0.000 0.289 299 I N 1.144 121.735 120.570 0.035 0.000 2.750 299 I HA 0.817 4.987 4.170 -0.000 0.000 0.308 299 I C 0.095 176.240 176.117 0.047 0.000 1.016 299 I CA -0.079 61.246 61.300 0.043 0.000 1.098 299 I CB 0.869 38.903 38.000 0.057 0.000 1.279 299 I HN 0.919 nan 8.210 nan 0.000 0.454 300 D N 1.702 122.129 120.400 0.045 0.000 2.317 300 D HA 0.408 5.048 4.640 -0.000 0.000 0.234 300 D C 0.580 176.916 176.300 0.060 0.000 1.112 300 D CA -0.107 53.920 54.000 0.045 0.000 0.840 300 D CB 0.895 41.715 40.800 0.033 0.000 1.078 300 D HN 0.760 nan 8.370 nan 0.000 0.486 301 D N 1.302 121.745 120.400 0.071 0.000 2.106 301 D HA -0.171 4.469 4.640 -0.000 0.000 0.191 301 D C 2.586 178.930 176.300 0.075 0.000 0.997 301 D CA 1.985 56.042 54.000 0.095 0.000 0.834 301 D CB -0.224 40.636 40.800 0.100 0.000 0.956 301 D HN 0.581 nan 8.370 nan 0.000 0.448 302 A N 0.704 123.554 122.820 0.049 0.000 1.877 302 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 302 A C 2.330 179.922 177.584 0.012 0.000 1.186 302 A CA 3.158 55.210 52.037 0.026 0.000 0.620 302 A CB -0.854 18.155 19.000 0.014 0.000 0.822 302 A HN 0.330 nan 8.150 nan 0.000 0.443 303 K N -1.095 119.315 120.400 0.017 0.000 2.167 303 K HA 0.127 4.447 4.320 -0.000 0.000 0.203 303 K C 2.083 178.694 176.600 0.018 0.000 1.052 303 K CA 1.853 58.146 56.287 0.010 0.000 0.956 303 K CB -1.563 30.945 32.500 0.012 0.000 0.735 303 K HN 0.784 nan 8.250 nan 0.000 0.451 304 E N 0.883 121.105 120.200 0.036 0.000 2.171 304 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 304 E C 2.103 178.732 176.600 0.048 0.000 0.997 304 E CA 1.697 58.124 56.400 0.045 0.000 0.810 304 E CB -0.664 29.076 29.700 0.067 0.000 0.738 304 E HN 0.500 nan 8.360 nan 0.000 0.467 305 M N 0.076 119.702 119.600 0.043 0.000 2.163 305 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 305 M C 2.884 179.199 176.300 0.025 0.000 1.071 305 M CA 2.067 57.385 55.300 0.030 0.000 1.093 305 M CB -1.451 31.134 32.600 -0.024 0.000 1.285 305 M HN 0.497 nan 8.290 nan 0.000 0.420 306 V N 0.264 120.177 119.914 -0.001 0.000 2.257 306 V HA -0.446 3.674 4.120 -0.000 0.000 0.257 306 V C 2.107 178.214 176.094 0.021 0.000 1.077 306 V CA 4.331 66.629 62.300 -0.003 0.000 1.063 306 V CB -2.252 29.565 31.823 -0.009 0.000 0.664 306 V HN 0.662 nan 8.190 nan 0.000 0.450 307 N N -0.995 117.721 118.700 0.027 0.000 2.250 307 N HA -0.131 4.609 4.740 -0.000 0.000 0.181 307 N C 1.999 177.535 175.510 0.044 0.000 1.017 307 N CA 1.927 54.995 53.050 0.030 0.000 0.866 307 N CB -0.973 37.528 38.487 0.023 0.000 0.985 307 N HN 0.724 nan 8.380 nan 0.000 0.429 308 T N 0.271 114.861 114.554 0.059 0.000 2.635 308 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 308 T C 2.114 176.883 174.700 0.114 0.000 1.040 308 T CA 1.300 63.451 62.100 0.085 0.000 1.156 308 T CB -0.236 68.703 68.868 0.118 0.000 0.863 308 T HN 0.484 nan 8.240 nan 0.000 0.430 309 R N 0.869 121.453 120.500 0.140 0.000 2.083 309 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 309 R C 2.779 179.139 176.300 0.100 0.000 1.137 309 R CA 1.543 57.740 56.100 0.162 0.000 0.951 309 R CB -0.425 29.956 30.300 0.134 0.000 0.851 309 R HN 0.550 nan 8.270 nan 0.000 0.434 310 Q N 0.021 119.860 119.800 0.065 0.000 2.029 310 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 310 Q C 2.203 178.227 176.000 0.040 0.000 0.999 310 Q CA 2.141 57.971 55.803 0.044 0.000 0.857 310 Q CB -0.267 28.489 28.738 0.030 0.000 0.926 310 Q HN 0.416 nan 8.270 nan 0.000 0.415 311 A N -0.173 122.669 122.820 0.035 0.000 1.969 311 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 311 A C 2.306 179.903 177.584 0.021 0.000 1.169 311 A CA 1.248 53.298 52.037 0.021 0.000 0.635 311 A CB -0.749 18.258 19.000 0.012 0.000 0.810 311 A HN 0.539 nan 8.150 nan 0.000 0.445 312 C N -0.608 118.715 119.300 0.037 0.000 2.432 312 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 312 C C 3.028 178.049 174.990 0.052 0.000 1.249 312 C CA 1.547 60.590 59.018 0.042 0.000 1.725 312 C CB -1.549 26.227 27.740 0.059 0.000 2.028 312 C HN 0.696 nan 8.230 nan 0.000 0.477 313 T N 1.594 116.182 114.554 0.057 0.000 2.759 313 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 313 T C 1.794 176.516 174.700 0.037 0.000 1.042 313 T CA 2.019 64.151 62.100 0.054 0.000 1.140 313 T CB -0.692 68.207 68.868 0.052 0.000 0.864 313 T HN 0.577 nan 8.240 nan 0.000 0.455 314 L N 0.021 121.259 121.223 0.026 0.000 2.645 314 L HA 0.643 4.983 4.340 -0.000 0.000 0.235 314 L C 1.976 178.849 176.870 0.005 0.000 1.150 314 L CA 0.773 55.622 54.840 0.014 0.000 0.911 314 L CB -1.353 40.712 42.059 0.010 0.000 1.077 314 L HN 0.432 nan 8.230 nan 0.000 0.438 315 L N -1.773 119.455 121.223 0.010 0.000 2.993 315 L HA 0.528 4.868 4.340 -0.000 0.000 0.264 315 L C 1.673 178.544 176.870 0.001 0.000 1.154 315 L CA 0.883 55.720 54.840 -0.006 0.000 0.972 315 L CB 0.949 42.998 42.059 -0.016 0.000 1.373 315 L HN 0.466 nan 8.230 nan 0.000 0.564 316 G N 0.254 109.074 108.800 0.033 0.000 2.617 316 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.197 316 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.197 316 G C 0.326 175.300 174.900 0.124 0.000 1.017 316 G CA -0.107 45.026 45.100 0.054 0.000 0.713 316 G HN 0.161 nan 8.290 nan 0.000 0.481 317 I N 2.799 123.455 120.570 0.145 0.000 2.533 317 I HA 0.720 4.890 4.170 -0.000 0.000 0.284 317 I C 1.165 177.386 176.117 0.173 0.000 1.109 317 I CA 0.418 61.857 61.300 0.232 0.000 1.412 317 I CB 0.182 38.307 38.000 0.208 0.000 1.396 317 I HN 1.332 nan 8.210 nan 0.000 0.543 318 S N 2.927 118.747 115.700 0.201 0.000 2.646 318 S HA 0.551 5.021 4.470 -0.000 0.000 0.273 318 S C 1.294 175.949 174.600 0.093 0.000 1.168 318 S CA 0.580 58.846 58.200 0.109 0.000 1.013 318 S CB 0.367 63.595 63.200 0.048 0.000 1.098 318 S HN 1.325 nan 8.310 nan 0.000 0.544 319 D N 0.209 120.644 120.400 0.058 0.000 2.162 319 D HA -0.012 4.628 4.640 -0.000 0.000 0.203 319 D C 2.253 178.580 176.300 0.046 0.000 0.967 319 D CA 1.549 55.586 54.000 0.061 0.000 0.840 319 D CB -0.970 39.854 40.800 0.040 0.000 0.972 319 D HN 0.577 nan 8.370 nan 0.000 0.482 320 S N -0.942 114.759 115.700 0.000 0.000 2.344 320 S HA -0.158 4.312 4.470 -0.000 0.000 0.217 320 S C 1.973 176.579 174.600 0.011 0.000 1.033 320 S CA 1.600 59.776 58.200 -0.040 0.000 1.017 320 S CB -0.660 62.460 63.200 -0.134 0.000 0.941 320 S HN 0.524 nan 8.310 nan 0.000 0.430 321 Y N 2.414 122.687 120.300 -0.045 0.000 2.574 321 Y HA 0.091 4.641 4.550 -0.000 0.000 0.294 321 Y C 3.160 178.927 175.900 -0.221 0.000 1.142 321 Y CA 0.544 58.565 58.100 -0.133 0.000 1.314 321 Y CB -1.399 37.045 38.460 -0.027 0.000 0.991 321 Y HN 0.664 nan 8.280 nan 0.000 0.555 322 Q N -0.638 119.186 119.800 0.040 0.000 2.049 322 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 322 Q C 2.089 178.045 176.000 -0.072 0.000 0.971 322 Q CA 1.777 57.558 55.803 -0.036 0.000 0.833 322 Q CB -0.574 28.258 28.738 0.157 0.000 0.896 322 Q HN 0.290 nan 8.270 nan 0.000 0.434 323 M N 0.537 120.146 119.600 0.014 0.000 2.159 323 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 323 M C 2.445 178.588 176.300 -0.261 0.000 1.063 323 M CA 1.459 56.729 55.300 -0.049 0.000 1.110 323 M CB -1.443 31.128 32.600 -0.048 0.000 1.374 323 M HN 0.591 nan 8.290 nan 0.000 0.411 324 G N 0.092 108.725 108.800 -0.278 0.000 2.469 324 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 324 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 324 G C 1.653 176.309 174.900 -0.407 0.000 1.150 324 G CA 0.766 45.655 45.100 -0.351 0.000 0.763 324 G HN 0.471 nan 8.290 nan 0.000 0.561 325 I N -0.570 119.674 120.570 -0.544 0.000 2.546 325 I HA 0.023 4.193 4.170 -0.000 0.000 0.255 325 I C 1.653 177.382 176.117 -0.646 0.000 1.163 325 I CA 0.501 61.388 61.300 -0.689 0.000 1.457 325 I CB 0.020 37.494 38.000 -0.877 0.000 1.092 325 I HN 0.075 nan 8.210 nan 0.000 0.434 326 F N -0.196 119.560 119.950 -0.322 0.000 2.776 326 F HA 0.141 4.668 4.527 -0.000 0.000 0.300 326 F C 2.303 177.885 175.800 -0.363 0.000 1.116 326 F CA 0.108 57.880 58.000 -0.379 0.000 1.375 326 F CB -0.428 38.185 39.000 -0.645 0.000 1.109 326 F HN -0.187 nan 8.300 nan 0.000 0.585 327 R N 0.680 121.042 120.500 -0.229 0.000 2.062 327 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 327 R C 2.624 178.867 176.300 -0.096 0.000 1.128 327 R CA 1.666 57.632 56.100 -0.223 0.000 0.960 327 R CB -0.737 29.305 30.300 -0.431 0.000 0.855 327 R HN 0.271 nan 8.270 nan 0.000 0.432 328 I N -0.135 120.388 120.570 -0.078 0.000 2.353 328 I HA 0.062 4.232 4.170 -0.000 0.000 0.248 328 I C 2.635 178.790 176.117 0.064 0.000 1.119 328 I CA 2.007 63.301 61.300 -0.009 0.000 1.417 328 I CB -1.812 36.144 38.000 -0.073 0.000 1.078 328 I HN 0.291 nan 8.210 nan 0.000 0.421 329 L N -0.145 121.107 121.223 0.047 0.000 2.217 329 L HA 0.431 4.771 4.340 -0.000 0.000 0.211 329 L C 2.835 179.857 176.870 0.253 0.000 1.107 329 L CA 2.273 57.244 54.840 0.218 0.000 0.783 329 L CB -1.960 40.194 42.059 0.158 0.000 0.919 329 L HN 0.829 nan 8.230 nan 0.000 0.442 330 A N -0.048 122.821 122.820 0.082 0.000 1.968 330 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 330 A C 2.710 180.241 177.584 -0.089 0.000 1.169 330 A CA 1.541 53.563 52.037 -0.024 0.000 0.638 330 A CB -1.196 17.718 19.000 -0.144 0.000 0.812 330 A HN 0.811 nan 8.150 nan 0.000 0.446 331 G N 0.294 109.104 108.800 0.017 0.000 2.418 331 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 331 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 331 G C 1.264 176.448 174.900 0.473 0.000 1.158 331 G CA 1.147 46.364 45.100 0.195 0.000 0.771 331 G HN 0.374 nan 8.290 nan 0.000 0.545 332 I N 0.975 121.777 120.570 0.388 0.000 2.493 332 I HA -0.010 4.160 4.170 -0.000 0.000 0.254 332 I C 2.673 178.989 176.117 0.332 0.000 1.160 332 I CA 0.367 61.910 61.300 0.405 0.000 1.445 332 I CB -1.153 37.125 38.000 0.463 0.000 1.086 332 I HN 0.173 nan 8.210 nan 0.000 0.433 333 L N -0.495 120.911 121.223 0.305 0.000 2.044 333 L HA -0.182 4.158 4.340 -0.000 0.000 0.205 333 L C 2.700 179.855 176.870 0.474 0.000 1.075 333 L CA 1.156 56.219 54.840 0.372 0.000 0.747 333 L CB -0.802 41.436 42.059 0.298 0.000 0.903 333 L HN 0.213 nan 8.230 nan 0.000 0.435 334 H N -0.629 118.563 119.070 0.203 0.000 2.363 334 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 334 H C 1.878 177.087 175.328 -0.198 0.000 1.074 334 H CA 0.964 57.006 56.048 -0.010 0.000 1.354 334 H CB -0.423 29.423 29.762 0.140 0.000 1.397 334 H HN 0.062 nan 8.280 nan 0.000 0.516 335 L N 0.876 122.081 121.223 -0.029 0.000 2.081 335 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 335 L C 2.343 178.979 176.870 -0.390 0.000 1.080 335 L CA 1.975 56.602 54.840 -0.356 0.000 0.754 335 L CB -1.115 40.706 42.059 -0.397 0.000 0.893 335 L HN 0.335 nan 8.230 nan 0.000 0.433 336 G N -0.863 107.622 108.800 -0.525 0.000 2.479 336 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 336 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 336 G C 1.449 175.898 174.900 -0.750 0.000 1.115 336 G CA 0.913 45.264 45.100 -1.249 0.000 0.757 336 G HN 0.487 nan 8.290 nan 0.000 0.560 337 N N 0.379 118.738 118.700 -0.569 0.000 2.305 337 N HA 0.029 4.769 4.740 -0.000 0.000 0.179 337 N C 1.511 176.713 175.510 -0.513 0.000 1.019 337 N CA 0.684 53.415 53.050 -0.532 0.000 0.869 337 N CB -0.514 37.613 38.487 -0.600 0.000 1.000 337 N HN 0.250 nan 8.380 nan 0.000 0.431 338 V N 2.545 122.155 119.914 -0.507 0.000 2.699 338 V HA 0.141 4.261 4.120 -0.000 0.000 0.296 338 V C 0.810 176.554 176.094 -0.584 0.000 1.030 338 V CA 1.035 63.045 62.300 -0.483 0.000 1.219 338 V CB -1.470 30.102 31.823 -0.418 0.000 0.848 338 V HN 0.373 nan 8.190 nan 0.000 0.468 339 E N 5.639 125.666 120.200 -0.289 0.000 2.349 339 E HA 0.765 5.115 4.350 -0.000 0.000 0.265 339 E C -0.785 175.677 176.600 -0.230 0.000 1.064 339 E CA -0.558 55.683 56.400 -0.265 0.000 0.886 339 E CB 1.212 30.893 29.700 -0.032 0.000 1.036 339 E HN 0.773 nan 8.360 nan 0.000 0.413 340 F N -0.716 119.230 119.950 -0.007 0.000 2.556 340 F HA 0.797 5.324 4.527 -0.000 0.000 0.327 340 F C 0.443 176.241 175.800 -0.003 0.000 1.059 340 F CA -1.287 56.713 58.000 -0.001 0.000 0.953 340 F CB 2.375 41.374 39.000 -0.001 0.000 1.227 340 F HN 0.663 nan 8.300 nan 0.000 0.478 341 A N 1.067 124.017 122.820 0.215 0.000 2.437 341 A HA 0.563 4.883 4.320 -0.000 0.000 0.293 341 A C -0.426 177.200 177.584 0.071 0.000 1.038 341 A CA -0.615 51.484 52.037 0.104 0.000 0.708 341 A CB 1.418 20.456 19.000 0.065 0.000 1.251 341 A HN 0.654 nan 8.150 nan 0.000 0.409 342 S N 0.346 116.078 115.700 0.054 0.000 2.587 342 S HA 0.702 5.172 4.470 -0.000 0.000 0.260 342 S C 0.796 175.411 174.600 0.024 0.000 1.353 342 S CA 0.956 59.175 58.200 0.032 0.000 0.995 342 S CB 0.477 63.696 63.200 0.032 0.000 0.912 342 S HN 1.985 nan 8.310 nan 0.000 0.568 343 R N -0.162 120.347 120.500 0.015 0.000 2.929 343 R HA 0.603 4.943 4.340 -0.000 0.000 0.259 343 R C -0.095 176.209 176.300 0.007 0.000 1.141 343 R CA 0.079 56.187 56.100 0.013 0.000 0.991 343 R CB -0.867 29.443 30.300 0.017 0.000 1.287 343 R HN 1.003 nan 8.270 nan 0.000 0.450 344 D N 0.919 121.322 120.400 0.005 0.000 2.552 344 D HA 0.437 5.077 4.640 -0.000 0.000 0.274 344 D C 0.559 176.856 176.300 -0.005 0.000 1.406 344 D CA 1.568 55.568 54.000 0.001 0.000 1.311 344 D CB -1.230 39.570 40.800 0.000 0.000 1.146 344 D HN 2.211 nan 8.370 nan 0.000 0.541 345 S N 2.208 117.905 115.700 -0.005 0.000 2.964 345 S HA -0.089 4.381 4.470 -0.000 0.000 0.829 345 S C -0.007 174.583 174.600 -0.017 0.000 0.843 345 S CA 0.350 58.544 58.200 -0.011 0.000 1.458 345 S CB -1.366 61.823 63.200 -0.019 0.000 1.044 345 S HN 1.258 nan 8.310 nan 0.000 0.490 346 D N 1.547 121.940 120.400 -0.012 0.000 2.886 346 D HA -0.074 4.566 4.640 -0.000 0.000 0.221 346 D C 0.366 176.644 176.300 -0.037 0.000 1.227 346 D CA 2.191 56.176 54.000 -0.024 0.000 0.746 346 D CB -1.618 39.155 40.800 -0.045 0.000 0.935 346 D HN 1.885 nan 8.370 nan 0.000 0.399 347 S N -1.239 114.450 115.700 -0.019 0.000 2.548 347 S HA 0.365 4.835 4.470 -0.000 0.000 0.168 347 S C 0.612 175.207 174.600 -0.009 0.000 1.068 347 S CA -0.645 57.550 58.200 -0.009 0.000 1.129 347 S CB -0.708 62.497 63.200 0.008 0.000 1.435 347 S HN 0.576 nan 8.310 nan 0.000 0.410 348 C N 0.868 120.135 119.300 -0.056 0.000 2.833 348 C HA 0.551 5.011 4.460 -0.000 0.000 0.394 348 C C 1.304 176.264 174.990 -0.051 0.000 1.229 348 C CA 0.210 59.175 59.018 -0.088 0.000 1.826 348 C CB -1.265 26.262 27.740 -0.355 0.000 2.659 348 C HN 1.799 nan 8.230 nan 0.000 0.675 349 A N 0.230 123.050 122.820 -0.001 0.000 3.455 349 A HA 0.652 4.972 4.320 -0.000 0.000 0.225 349 A C 0.407 178.031 177.584 0.067 0.000 1.052 349 A CA 0.246 52.287 52.037 0.008 0.000 1.005 349 A CB -0.652 18.362 19.000 0.024 0.000 1.318 349 A HN 2.762 nan 8.150 nan 0.000 0.639 350 I N -0.128 120.536 120.570 0.156 0.000 2.726 350 I HA -0.057 4.113 4.170 -0.000 0.000 0.126 350 I C -1.503 174.717 176.117 0.172 0.000 0.882 350 I CA 0.777 62.235 61.300 0.264 0.000 2.786 350 I CB -2.003 36.132 38.000 0.224 0.000 0.548 350 I HN 0.469 nan 8.210 nan 0.000 0.352 351 P HA 0.053 nan 4.420 nan 0.000 0.251 351 P C -1.920 175.401 177.300 0.035 0.000 1.116 351 P CA -0.076 63.043 63.100 0.031 0.000 0.776 351 P CB -0.251 31.413 31.700 -0.060 0.000 0.701 352 P HA -0.033 nan 4.420 nan 0.000 0.267 352 P C 0.790 178.171 177.300 0.134 0.000 1.195 352 P CA 0.977 64.146 63.100 0.115 0.000 0.773 352 P CB 0.117 31.859 31.700 0.070 0.000 0.837 353 K N 0.114 120.658 120.400 0.239 0.000 3.130 353 K HA -0.258 4.062 4.320 -0.000 0.000 0.282 353 K C 0.486 177.132 176.600 0.077 0.000 1.145 353 K CA 1.756 58.100 56.287 0.096 0.000 0.831 353 K CB -3.126 29.397 32.500 0.037 0.000 1.226 353 K HN 0.822 nan 8.250 nan 0.000 0.478 354 H N 1.725 120.830 119.070 0.059 0.000 3.145 354 H HA 0.309 4.865 4.556 -0.000 0.000 0.263 354 H C 1.329 176.627 175.328 -0.050 0.000 1.057 354 H CA 0.376 56.428 56.048 0.006 0.000 1.477 354 H CB 0.174 29.951 29.762 0.025 0.000 1.529 354 H HN 0.625 nan 8.280 nan 0.000 0.508 355 D N 5.755 126.212 120.400 0.095 0.000 2.204 355 D HA -0.210 4.430 4.640 -0.000 0.000 0.189 355 D C -1.276 174.960 176.300 -0.106 0.000 1.006 355 D CA 1.087 55.061 54.000 -0.042 0.000 0.855 355 D CB -1.356 39.434 40.800 -0.017 0.000 0.946 355 D HN 0.464 nan 8.370 nan 0.000 0.448 356 P HA -0.031 nan 4.420 nan 0.000 0.213 356 P C -0.025 177.208 177.300 -0.111 0.000 1.492 356 P CA 0.721 63.654 63.100 -0.279 0.000 1.034 356 P CB 0.138 31.488 31.700 -0.582 0.000 1.816 357 L N -1.233 120.032 121.223 0.070 0.000 1.326 357 L HA -0.001 4.339 4.340 -0.000 0.000 0.115 357 L C 2.113 179.143 176.870 0.265 0.000 1.379 357 L CA 1.980 56.960 54.840 0.234 0.000 1.199 357 L CB -1.382 40.876 42.059 0.332 0.000 2.485 357 L HN 0.117 nan 8.230 nan 0.000 0.472 358 T N 0.177 114.738 114.554 0.012 0.000 2.788 358 T HA 0.033 4.383 4.350 -0.000 0.000 0.268 358 T C 1.923 176.663 174.700 0.066 0.000 1.044 358 T CA 3.563 65.625 62.100 -0.064 0.000 1.139 358 T CB -0.722 67.993 68.868 -0.255 0.000 0.867 358 T HN 0.291 nan 8.240 nan 0.000 0.454 359 I N -0.071 120.566 120.570 0.112 0.000 2.252 359 I HA 0.226 4.396 4.170 -0.000 0.000 0.245 359 I C 2.576 178.850 176.117 0.263 0.000 1.102 359 I CA 1.899 63.321 61.300 0.203 0.000 1.385 359 I CB -1.459 36.694 38.000 0.256 0.000 1.064 359 I HN 0.538 nan 8.210 nan 0.000 0.414 360 F N 0.487 120.533 119.950 0.161 0.000 2.234 360 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 360 F C 2.388 178.249 175.800 0.102 0.000 1.087 360 F CA 2.183 60.251 58.000 0.112 0.000 1.340 360 F CB -0.242 38.829 39.000 0.118 0.000 1.031 360 F HN 0.319 nan 8.300 nan 0.000 0.500 361 C N -0.321 119.065 119.300 0.143 0.000 2.527 361 C HA 0.032 4.492 4.460 -0.000 0.000 0.280 361 C C 2.287 177.290 174.990 0.023 0.000 1.353 361 C CA 0.421 59.484 59.018 0.074 0.000 1.749 361 C CB -0.895 26.990 27.740 0.242 0.000 2.088 361 C HN 0.407 nan 8.230 nan 0.000 0.508 362 D N 1.488 121.918 120.400 0.050 0.000 2.106 362 D HA -0.150 4.490 4.640 -0.000 0.000 0.191 362 D C 1.913 178.225 176.300 0.019 0.000 0.997 362 D CA 1.319 55.343 54.000 0.040 0.000 0.834 362 D CB -0.218 40.611 40.800 0.050 0.000 0.956 362 D HN 0.374 nan 8.370 nan 0.000 0.448 363 L N -0.426 120.779 121.223 -0.029 0.000 2.191 363 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 363 L C 1.833 178.717 176.870 0.024 0.000 1.103 363 L CA 0.661 55.473 54.840 -0.047 0.000 0.769 363 L CB -0.080 41.887 42.059 -0.154 0.000 0.908 363 L HN 0.178 nan 8.230 nan 0.000 0.438 364 M N -1.354 118.171 119.600 -0.125 0.000 2.331 364 M HA 0.275 4.755 4.480 -0.000 0.000 0.266 364 M C 1.045 177.258 176.300 -0.145 0.000 1.055 364 M CA 0.536 55.732 55.300 -0.174 0.000 1.048 364 M CB 0.151 32.492 32.600 -0.432 0.000 1.460 364 M HN 0.225 nan 8.290 nan 0.000 0.519 365 G N 2.680 111.450 108.800 -0.050 0.000 2.385 365 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.294 365 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.294 365 G C -0.260 174.621 174.900 -0.032 0.000 1.070 365 G CA 0.298 45.379 45.100 -0.032 0.000 1.172 365 G HN 0.566 nan 8.290 nan 0.000 0.516 366 V N -3.130 116.787 119.914 0.006 0.000 3.087 366 V HA 0.685 4.805 4.120 -0.000 0.000 0.306 366 V C -0.014 176.131 176.094 0.086 0.000 1.187 366 V CA -1.757 60.569 62.300 0.044 0.000 0.999 366 V CB 2.115 33.978 31.823 0.066 0.000 1.049 366 V HN 0.187 nan 8.190 nan 0.000 0.431 367 D N 1.775 122.225 120.400 0.084 0.000 2.450 367 D HA 0.037 4.677 4.640 -0.000 0.000 0.247 367 D C 0.584 176.967 176.300 0.138 0.000 1.162 367 D CA 0.441 54.498 54.000 0.095 0.000 0.879 367 D CB 0.981 41.809 40.800 0.047 0.000 1.163 367 D HN 0.864 nan 8.370 nan 0.000 0.472 368 Y N 3.303 123.640 120.300 0.062 0.000 2.348 368 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 368 Y C 1.521 177.454 175.900 0.054 0.000 1.173 368 Y CA 1.693 59.838 58.100 0.075 0.000 1.263 368 Y CB 0.287 38.784 38.460 0.062 0.000 0.974 368 Y HN 0.363 nan 8.280 nan 0.000 0.547 369 E N -0.296 119.792 120.200 -0.186 0.000 2.206 369 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 369 E C 2.093 178.564 176.600 -0.216 0.000 0.935 369 E CA 0.588 56.808 56.400 -0.301 0.000 0.875 369 E CB -0.210 29.363 29.700 -0.211 0.000 0.841 369 E HN 0.602 nan 8.360 nan 0.000 0.477 370 E N 0.325 120.456 120.200 -0.115 0.000 2.049 370 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 370 E C 2.082 178.654 176.600 -0.046 0.000 1.007 370 E CA 2.234 58.580 56.400 -0.090 0.000 0.809 370 E CB 0.032 29.752 29.700 0.033 0.000 0.749 370 E HN 0.206 nan 8.360 nan 0.000 0.450 371 M N -0.162 119.472 119.600 0.055 0.000 2.492 371 M HA 0.266 4.746 4.480 -0.000 0.000 0.262 371 M C 2.229 178.569 176.300 0.066 0.000 1.090 371 M CA 1.718 57.105 55.300 0.144 0.000 1.110 371 M CB -0.894 31.859 32.600 0.256 0.000 1.407 371 M HN 0.286 nan 8.290 nan 0.000 0.470 372 A N -1.431 121.342 122.820 -0.077 0.000 1.970 372 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 372 A C 2.107 179.608 177.584 -0.138 0.000 1.170 372 A CA 1.415 53.371 52.037 -0.134 0.000 0.645 372 A CB -1.019 17.739 19.000 -0.403 0.000 0.816 372 A HN 0.862 nan 8.150 nan 0.000 0.447 373 H N -1.576 117.282 119.070 -0.354 0.000 2.269 373 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 373 H C 1.895 177.006 175.328 -0.362 0.000 1.058 373 H CA 1.881 57.611 56.048 -0.530 0.000 1.246 373 H CB -0.243 29.019 29.762 -0.834 0.000 1.376 373 H HN 0.691 nan 8.280 nan 0.000 0.503 374 W N 0.608 121.848 121.300 -0.100 0.000 2.538 374 W HA -0.029 4.631 4.660 -0.000 0.000 0.254 374 W C 2.612 179.107 176.519 -0.039 0.000 1.249 374 W CA 0.304 57.583 57.345 -0.111 0.000 1.253 374 W CB -0.117 29.349 29.460 0.010 0.000 1.130 374 W HN 0.165 nan 8.180 nan 0.000 0.618 375 L N -1.146 120.174 121.223 0.162 0.000 2.675 375 L HA 0.089 4.429 4.340 -0.000 0.000 0.238 375 L C 1.289 178.140 176.870 -0.030 0.000 1.155 375 L CA 1.561 56.489 54.840 0.147 0.000 0.881 375 L CB -1.276 40.905 42.059 0.203 0.000 1.008 375 L HN 0.364 nan 8.230 nan 0.000 0.443 376 C N -2.863 116.355 119.300 -0.136 0.000 4.665 376 C HA 0.374 4.834 4.460 -0.000 0.000 0.452 376 C C 0.651 175.546 174.990 -0.158 0.000 1.647 376 C CA -0.382 58.449 59.018 -0.312 0.000 2.146 376 C CB -0.191 27.291 27.740 -0.429 0.000 3.201 376 C HN 0.783 nan 8.230 nan 0.000 0.626 377 H N 0.035 119.056 119.070 -0.083 0.000 2.812 377 H HA 0.917 5.473 4.556 -0.000 0.000 0.355 377 H C 0.259 175.633 175.328 0.077 0.000 1.207 377 H CA 0.303 56.330 56.048 -0.034 0.000 1.217 377 H CB 0.748 30.431 29.762 -0.131 0.000 1.874 377 H HN 0.373 nan 8.280 nan 0.000 0.581 378 R N 0.233 120.793 120.500 0.101 0.000 2.752 378 R HA 0.610 4.950 4.340 -0.000 0.000 0.271 378 R C -1.121 175.072 176.300 -0.180 0.000 1.026 378 R CA -0.989 54.991 56.100 -0.200 0.000 0.901 378 R CB 0.867 30.813 30.300 -0.590 0.000 1.243 378 R HN 0.613 nan 8.270 nan 0.000 0.463 379 K N 1.378 121.602 120.400 -0.293 0.000 2.207 379 K HA 0.714 5.034 4.320 -0.000 0.000 0.255 379 K C -0.690 175.789 176.600 -0.201 0.000 0.941 379 K CA -0.816 55.356 56.287 -0.190 0.000 0.825 379 K CB 1.840 34.218 32.500 -0.204 0.000 1.119 379 K HN 0.334 nan 8.250 nan 0.000 0.430 380 L N 1.625 122.773 121.223 -0.124 0.000 2.331 380 L HA 0.715 5.055 4.340 -0.000 0.000 0.275 380 L C -0.306 176.542 176.870 -0.036 0.000 1.022 380 L CA -0.890 53.880 54.840 -0.117 0.000 0.812 380 L CB 1.590 43.552 42.059 -0.162 0.000 1.257 380 L HN 0.783 nan 8.230 nan 0.000 0.435 381 A N 1.498 124.297 122.820 -0.034 0.000 2.398 381 A HA 0.747 5.067 4.320 -0.000 0.000 0.301 381 A C -0.184 177.406 177.584 0.010 0.000 1.041 381 A CA -0.400 51.639 52.037 0.004 0.000 0.711 381 A CB 1.516 20.498 19.000 -0.029 0.000 1.240 381 A HN 0.707 nan 8.150 nan 0.000 0.420 382 T N 0.901 115.481 114.554 0.043 0.000 2.884 382 T HA 0.552 4.902 4.350 -0.000 0.000 0.277 382 T C 1.784 176.493 174.700 0.016 0.000 0.976 382 T CA 0.058 62.178 62.100 0.032 0.000 0.956 382 T CB 1.287 70.194 68.868 0.065 0.000 1.113 382 T HN 1.156 nan 8.240 nan 0.000 0.554 383 A N 0.377 123.204 122.820 0.011 0.000 1.908 383 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 383 A C 2.398 179.985 177.584 0.005 0.000 1.181 383 A CA 2.546 54.586 52.037 0.005 0.000 0.627 383 A CB -1.844 17.159 19.000 0.004 0.000 0.818 383 A HN 1.034 nan 8.150 nan 0.000 0.445 384 T N -1.520 113.039 114.554 0.009 0.000 2.837 384 T HA 0.428 4.778 4.350 -0.000 0.000 0.242 384 T C 1.277 175.975 174.700 -0.004 0.000 1.044 384 T CA 2.124 64.225 62.100 0.002 0.000 1.202 384 T CB -0.449 68.420 68.868 0.002 0.000 0.905 384 T HN 0.767 nan 8.240 nan 0.000 0.413 385 E N -0.551 119.650 120.200 0.001 0.000 2.803 385 E HA 0.720 5.070 4.350 -0.000 0.000 0.250 385 E C -0.177 176.432 176.600 0.015 0.000 1.102 385 E CA -0.216 56.171 56.400 -0.021 0.000 1.017 385 E CB 0.638 30.297 29.700 -0.069 0.000 1.346 385 E HN 0.549 nan 8.360 nan 0.000 0.532 386 T N -1.769 112.780 114.554 -0.008 0.000 2.821 386 T HA 0.626 4.976 4.350 -0.000 0.000 0.306 386 T C -1.828 172.917 174.700 0.074 0.000 1.313 386 T CA -0.356 61.788 62.100 0.073 0.000 1.012 386 T CB 0.583 69.461 68.868 0.016 0.000 1.298 386 T HN 0.488 nan 8.240 nan 0.000 0.502 387 Y N 0.463 120.739 120.300 -0.040 0.000 2.638 387 Y HA 0.703 5.253 4.550 -0.000 0.000 0.339 387 Y C -0.436 175.451 175.900 -0.021 0.000 1.084 387 Y CA -1.321 56.760 58.100 -0.030 0.000 1.068 387 Y CB 1.713 40.146 38.460 -0.045 0.000 1.294 387 Y HN 0.354 nan 8.280 nan 0.000 0.480 388 I N 1.889 122.569 120.570 0.183 0.000 2.557 388 I HA 0.312 4.482 4.170 -0.000 0.000 0.277 388 I C -0.043 176.087 176.117 0.023 0.000 1.106 388 I CA -0.185 61.201 61.300 0.143 0.000 1.180 388 I CB 0.526 38.678 38.000 0.252 0.000 1.392 388 I HN 0.566 nan 8.210 nan 0.000 0.506 389 K N 6.417 126.801 120.400 -0.026 0.000 2.205 389 K HA 0.708 5.028 4.320 -0.000 0.000 0.279 389 K C -2.771 173.722 176.600 -0.178 0.000 1.027 389 K CA -1.518 54.701 56.287 -0.114 0.000 0.932 389 K CB -0.218 32.203 32.500 -0.131 0.000 1.032 389 K HN 0.249 nan 8.250 nan 0.000 0.466 390 P HA 0.482 nan 4.420 nan 0.000 0.275 390 P C -0.352 176.898 177.300 -0.083 0.000 1.266 390 P CA -0.420 62.577 63.100 -0.171 0.000 0.793 390 P CB 0.345 31.921 31.700 -0.206 0.000 1.074 391 I N -3.408 117.144 120.570 -0.029 0.000 3.042 391 I HA 0.609 4.779 4.170 -0.000 0.000 0.310 391 I C -0.129 175.922 176.117 -0.111 0.000 1.117 391 I CA -1.263 59.963 61.300 -0.122 0.000 1.003 391 I CB 2.086 40.059 38.000 -0.046 0.000 1.228 391 I HN 0.269 nan 8.210 nan 0.000 0.443 392 S N 2.034 117.657 115.700 -0.128 0.000 2.584 392 S HA 0.310 4.780 4.470 -0.000 0.000 0.273 392 S C 0.928 175.570 174.600 0.071 0.000 1.311 392 S CA -0.531 57.681 58.200 0.020 0.000 1.034 392 S CB 1.444 64.732 63.200 0.146 0.000 0.939 392 S HN 0.794 nan 8.310 nan 0.000 0.513 393 K N 1.344 121.772 120.400 0.047 0.000 2.163 393 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 393 K C 1.892 178.576 176.600 0.140 0.000 1.048 393 K CA 2.090 58.426 56.287 0.081 0.000 0.928 393 K CB -1.679 30.881 32.500 0.101 0.000 0.716 393 K HN 0.792 nan 8.250 nan 0.000 0.459 394 L N -0.043 121.268 121.223 0.146 0.000 2.155 394 L HA -0.138 4.202 4.340 -0.000 0.000 0.229 394 L C 1.913 178.869 176.870 0.144 0.000 1.132 394 L CA 2.126 57.028 54.840 0.103 0.000 2.343 394 L CB -2.027 40.031 42.059 -0.002 0.000 2.063 394 L HN 0.446 nan 8.230 nan 0.000 0.980 395 H N -0.304 118.786 119.070 0.033 0.000 2.323 395 H HA -0.343 4.213 4.556 -0.000 0.000 0.239 395 H C 2.150 177.489 175.328 0.018 0.000 1.186 395 H CA 3.365 59.439 56.048 0.044 0.000 1.186 395 H CB -1.564 28.251 29.762 0.087 0.000 1.549 395 H HN 0.872 nan 8.280 nan 0.000 0.563 396 A N 0.480 123.385 122.820 0.141 0.000 1.877 396 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 396 A C 2.545 180.253 177.584 0.207 0.000 1.186 396 A CA 1.939 53.990 52.037 0.023 0.000 0.620 396 A CB -0.728 18.029 19.000 -0.405 0.000 0.822 396 A HN 0.416 nan 8.150 nan 0.000 0.443 397 I N 0.169 120.895 120.570 0.260 0.000 2.099 397 I HA -0.300 3.870 4.170 -0.000 0.000 0.239 397 I C 1.636 177.805 176.117 0.087 0.000 1.066 397 I CA 1.663 63.083 61.300 0.200 0.000 1.324 397 I CB -0.679 37.414 38.000 0.154 0.000 1.037 397 I HN 0.388 nan 8.210 nan 0.000 0.401 398 N N 0.628 119.346 118.700 0.030 0.000 2.680 398 N HA -0.042 4.698 4.740 -0.000 0.000 0.197 398 N C 1.164 176.605 175.510 -0.115 0.000 1.288 398 N CA 0.514 53.543 53.050 -0.034 0.000 0.924 398 N CB 0.075 38.526 38.487 -0.060 0.000 1.025 398 N HN 0.419 nan 8.380 nan 0.000 0.447 399 A N 0.475 123.199 122.820 -0.161 0.000 1.975 399 A HA 0.092 4.412 4.320 -0.000 0.000 0.197 399 A C 1.981 179.472 177.584 -0.155 0.000 1.537 399 A CA -0.205 51.592 52.037 -0.400 0.000 0.972 399 A CB 0.001 18.492 19.000 -0.849 0.000 1.019 399 A HN 0.075 nan 8.150 nan 0.000 0.488 400 R N 0.339 120.843 120.500 0.006 0.000 2.073 400 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 400 R C 1.201 177.566 176.300 0.109 0.000 1.134 400 R CA 2.030 58.175 56.100 0.076 0.000 0.952 400 R CB -0.328 30.041 30.300 0.116 0.000 0.850 400 R HN 0.384 nan 8.270 nan 0.000 0.433 401 D N 0.546 121.022 120.400 0.127 0.000 2.092 401 D HA -0.147 4.492 4.640 -0.000 0.000 0.193 401 D C 1.794 178.134 176.300 0.066 0.000 0.994 401 D CA 1.765 55.850 54.000 0.142 0.000 0.828 401 D CB -0.461 40.410 40.800 0.118 0.000 0.963 401 D HN 0.388 nan 8.370 nan 0.000 0.450 402 A N 0.541 123.373 122.820 0.020 0.000 1.986 402 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 402 A C 2.183 179.822 177.584 0.091 0.000 1.171 402 A CA 1.126 53.172 52.037 0.016 0.000 0.640 402 A CB -0.692 18.285 19.000 -0.038 0.000 0.811 402 A HN 0.251 nan 8.150 nan 0.000 0.451 403 L N -0.616 120.676 121.223 0.116 0.000 2.056 403 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 403 L C 2.726 179.758 176.870 0.270 0.000 1.078 403 L CA 1.891 56.860 54.840 0.216 0.000 0.749 403 L CB -0.713 41.446 42.059 0.166 0.000 0.901 403 L HN 0.353 nan 8.230 nan 0.000 0.433 404 A N -0.092 122.862 122.820 0.224 0.000 1.859 404 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 404 A C 2.193 179.909 177.584 0.220 0.000 1.198 404 A CA 2.207 54.386 52.037 0.237 0.000 0.629 404 A CB -0.643 18.460 19.000 0.172 0.000 0.830 404 A HN 0.511 nan 8.150 nan 0.000 0.446 405 K N -1.366 119.117 120.400 0.138 0.000 2.442 405 K HA -0.160 4.160 4.320 -0.000 0.000 0.198 405 K C 1.807 178.565 176.600 0.262 0.000 1.044 405 K CA 1.223 57.605 56.287 0.159 0.000 0.948 405 K CB -0.207 32.338 32.500 0.075 0.000 0.762 405 K HN 0.613 nan 8.250 nan 0.000 0.472 406 H N 1.036 120.214 119.070 0.181 0.000 2.399 406 H HA 0.072 4.628 4.556 -0.000 0.000 0.300 406 H C 1.815 177.282 175.328 0.231 0.000 1.048 406 H CA 0.593 56.766 56.048 0.209 0.000 1.370 406 H CB 0.298 30.214 29.762 0.256 0.000 1.428 406 H HN -0.042 nan 8.280 nan 0.000 0.534 407 I N -0.080 120.694 120.570 0.340 0.000 2.110 407 I HA -0.261 3.909 4.170 -0.000 0.000 0.236 407 I C 2.219 178.425 176.117 0.148 0.000 1.068 407 I CA 1.085 62.505 61.300 0.200 0.000 1.333 407 I CB -1.787 36.366 38.000 0.256 0.000 1.054 407 I HN 0.189 nan 8.210 nan 0.000 0.402 408 Y N 2.007 122.387 120.300 0.134 0.000 2.029 408 Y HA -0.383 4.167 4.550 -0.000 0.000 0.269 408 Y C 2.711 178.648 175.900 0.061 0.000 1.201 408 Y CA 2.727 60.889 58.100 0.105 0.000 1.115 408 Y CB -0.583 37.978 38.460 0.169 0.000 0.945 408 Y HN 0.198 nan 8.280 nan 0.000 0.497 409 A N -0.320 122.619 122.820 0.198 0.000 1.948 409 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 409 A C 1.963 179.557 177.584 0.016 0.000 1.177 409 A CA 2.366 54.440 52.037 0.062 0.000 0.636 409 A CB -0.964 18.114 19.000 0.129 0.000 0.815 409 A HN 0.735 nan 8.150 nan 0.000 0.449 410 N N -1.114 117.579 118.700 -0.012 0.000 2.368 410 N HA 0.054 4.794 4.740 -0.000 0.000 0.176 410 N C 1.556 176.987 175.510 -0.133 0.000 1.021 410 N CA 0.762 53.745 53.050 -0.111 0.000 0.888 410 N CB -0.130 38.172 38.487 -0.308 0.000 0.995 410 N HN 0.423 nan 8.380 nan 0.000 0.437 411 L N 0.045 121.159 121.223 -0.183 0.000 2.083 411 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 411 L C 1.786 178.540 176.870 -0.194 0.000 1.083 411 L CA 1.350 56.051 54.840 -0.232 0.000 0.752 411 L CB -0.400 41.479 42.059 -0.300 0.000 0.899 411 L HN 0.126 nan 8.230 nan 0.000 0.433 412 F N 0.411 120.117 119.950 -0.406 0.000 2.102 412 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 412 F C 2.228 177.883 175.800 -0.242 0.000 1.105 412 F CA 1.898 59.648 58.000 -0.417 0.000 1.239 412 F CB -0.250 38.465 39.000 -0.475 0.000 0.991 412 F HN 0.204 nan 8.300 nan 0.000 0.474 413 N N -0.759 117.995 118.700 0.091 0.000 2.459 413 N HA -0.167 4.573 4.740 -0.000 0.000 0.181 413 N C 1.403 176.892 175.510 -0.036 0.000 1.046 413 N CA 0.899 53.969 53.050 0.033 0.000 0.904 413 N CB -0.606 37.895 38.487 0.023 0.000 0.964 413 N HN 0.525 nan 8.380 nan 0.000 0.444 414 W N 1.585 122.752 121.300 -0.221 0.000 2.423 414 W HA 0.066 4.726 4.660 -0.000 0.000 0.321 414 W C 1.977 178.349 176.519 -0.244 0.000 1.180 414 W CA 0.799 57.993 57.345 -0.251 0.000 1.322 414 W CB -0.466 28.768 29.460 -0.376 0.000 1.174 414 W HN -0.140 nan 8.180 nan 0.000 0.470 415 I N 0.396 121.049 120.570 0.138 0.000 2.381 415 I HA -0.374 3.796 4.170 -0.000 0.000 0.255 415 I C 2.002 178.006 176.117 -0.189 0.000 1.140 415 I CA 1.246 62.540 61.300 -0.010 0.000 1.404 415 I CB -0.771 37.106 38.000 -0.205 0.000 1.075 415 I HN -0.058 nan 8.210 nan 0.000 0.433 416 V N 0.417 120.173 119.914 -0.263 0.000 2.244 416 V HA -0.274 3.846 4.120 -0.000 0.000 0.244 416 V C 2.073 178.037 176.094 -0.217 0.000 1.042 416 V CA 2.064 64.213 62.300 -0.252 0.000 1.006 416 V CB -0.560 31.125 31.823 -0.229 0.000 0.641 416 V HN 0.373 nan 8.190 nan 0.000 0.446 417 D N -1.025 119.243 120.400 -0.220 0.000 2.149 417 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 417 D C 2.067 178.160 176.300 -0.346 0.000 0.990 417 D CA 1.424 55.274 54.000 -0.251 0.000 0.839 417 D CB -0.285 40.361 40.800 -0.256 0.000 0.948 417 D HN 0.572 nan 8.370 nan 0.000 0.460 418 H N -0.501 118.247 119.070 -0.538 0.000 2.512 418 H HA 0.080 4.636 4.556 -0.000 0.000 0.279 418 H C 1.957 177.115 175.328 -0.283 0.000 0.999 418 H CA 0.173 55.914 56.048 -0.512 0.000 1.283 418 H CB 0.697 29.910 29.762 -0.916 0.000 1.421 418 H HN -0.016 nan 8.280 nan 0.000 0.554 419 V N 1.070 120.891 119.914 -0.156 0.000 3.041 419 V HA -0.145 3.975 4.120 -0.000 0.000 0.260 419 V C 1.675 177.631 176.094 -0.230 0.000 1.105 419 V CA 1.219 63.427 62.300 -0.154 0.000 1.125 419 V CB -0.371 31.366 31.823 -0.145 0.000 0.730 419 V HN 0.471 nan 8.190 nan 0.000 0.479 420 N N -0.334 118.184 118.700 -0.303 0.000 2.424 420 N HA 0.002 4.742 4.740 -0.000 0.000 0.178 420 N C 1.103 176.209 175.510 -0.673 0.000 1.060 420 N CA 0.095 52.847 53.050 -0.497 0.000 0.901 420 N CB 0.146 38.376 38.487 -0.427 0.000 0.979 420 N HN 0.382 nan 8.380 nan 0.000 0.451 421 K N 0.349 120.530 120.400 -0.365 0.000 2.665 421 K HA 0.147 4.467 4.320 -0.000 0.000 0.214 421 K C 0.392 176.898 176.600 -0.158 0.000 1.032 421 K CA -0.186 55.975 56.287 -0.210 0.000 1.198 421 K CB 0.495 32.842 32.500 -0.256 0.000 0.941 421 K HN 0.145 nan 8.250 nan 0.000 0.491 422 A N -0.568 122.128 122.820 -0.207 0.000 1.690 422 A HA 0.141 4.461 4.320 -0.000 0.000 0.213 422 A C 1.991 179.492 177.584 -0.140 0.000 1.785 422 A CA 0.204 52.163 52.037 -0.130 0.000 1.230 422 A CB -0.513 18.424 19.000 -0.106 0.000 1.175 422 A HN 0.162 nan 8.150 nan 0.000 0.468 423 L N 0.934 122.029 121.223 -0.214 0.000 2.450 423 L HA 0.131 4.471 4.340 -0.000 0.000 0.224 423 L C 1.160 177.925 176.870 -0.174 0.000 1.149 423 L CA 1.457 56.179 54.840 -0.197 0.000 0.816 423 L CB -1.974 39.954 42.059 -0.218 0.000 0.932 423 L HN 0.516 nan 8.230 nan 0.000 0.449 424 H N 0.350 119.365 119.070 -0.092 0.000 2.848 424 H HA 0.418 4.974 4.556 -0.000 0.000 0.341 424 H C 0.561 175.845 175.328 -0.073 0.000 1.060 424 H CA 0.531 56.526 56.048 -0.088 0.000 1.444 424 H CB 1.417 31.121 29.762 -0.096 0.000 1.446 424 H HN 0.488 nan 8.280 nan 0.000 0.583 425 S N 0.707 116.452 115.700 0.076 0.000 2.693 425 S HA 0.199 4.669 4.470 -0.000 0.000 0.276 425 S C 1.154 175.758 174.600 0.007 0.000 1.192 425 S CA -0.002 58.210 58.200 0.020 0.000 0.994 425 S CB 0.659 63.857 63.200 -0.003 0.000 1.012 425 S HN 0.761 nan 8.310 nan 0.000 0.550 426 T N -0.430 114.120 114.554 -0.007 0.000 2.990 426 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 426 T C 0.585 175.272 174.700 -0.021 0.000 1.039 426 T CA -0.028 62.060 62.100 -0.020 0.000 1.036 426 T CB -0.508 68.350 68.868 -0.016 0.000 0.994 426 T HN 0.388 nan 8.240 nan 0.000 0.489 427 V N 2.462 122.368 119.914 -0.013 0.000 3.061 427 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 427 V C 1.229 177.314 176.094 -0.014 0.000 1.118 427 V CA -0.172 62.122 62.300 -0.009 0.000 1.231 427 V CB -0.740 31.082 31.823 -0.001 0.000 0.956 427 V HN 0.789 nan 8.190 nan 0.000 0.499 428 K N 2.600 122.994 120.400 -0.011 0.000 2.286 428 K HA 0.211 4.531 4.320 -0.000 0.000 0.256 428 K C 0.020 176.622 176.600 0.004 0.000 0.999 428 K CA -0.046 56.235 56.287 -0.010 0.000 0.908 428 K CB 0.083 32.579 32.500 -0.008 0.000 0.981 428 K HN 0.823 nan 8.250 nan 0.000 0.500 429 Q N -0.300 119.505 119.800 0.008 0.000 2.293 429 Q HA 0.191 4.531 4.340 -0.000 0.000 0.261 429 Q C 0.376 176.402 176.000 0.043 0.000 0.960 429 Q CA -0.616 55.210 55.803 0.038 0.000 0.882 429 Q CB 1.223 29.992 28.738 0.051 0.000 1.275 429 Q HN 0.879 nan 8.270 nan 0.000 0.445 430 H N 1.453 120.493 119.070 -0.050 0.000 2.520 430 H HA 0.160 4.716 4.556 -0.000 0.000 0.279 430 H C -0.565 174.701 175.328 -0.103 0.000 0.990 430 H CA 1.214 57.197 56.048 -0.108 0.000 1.288 430 H CB 0.794 30.416 29.762 -0.234 0.000 1.446 430 H HN 0.581 nan 8.280 nan 0.000 0.538 431 S N -0.347 115.414 115.700 0.102 0.000 2.606 431 S HA 0.369 4.839 4.470 -0.000 0.000 0.290 431 S C -1.202 173.468 174.600 0.117 0.000 1.103 431 S CA -0.938 57.269 58.200 0.011 0.000 0.870 431 S CB 0.298 63.550 63.200 0.086 0.000 1.077 431 S HN 0.215 nan 8.310 nan 0.000 0.448 432 F N 0.618 120.635 119.950 0.111 0.000 2.522 432 F HA 0.878 5.405 4.527 -0.000 0.000 0.324 432 F C -0.615 175.235 175.800 0.084 0.000 1.077 432 F CA -1.466 56.579 58.000 0.075 0.000 0.944 432 F CB 0.900 39.900 39.000 -0.000 0.000 1.175 432 F HN 0.557 nan 8.300 nan 0.000 0.468 433 I N 2.478 123.200 120.570 0.254 0.000 2.359 433 I HA 0.432 4.602 4.170 -0.000 0.000 0.284 433 I C 0.428 176.584 176.117 0.065 0.000 1.018 433 I CA -0.615 60.763 61.300 0.130 0.000 1.173 433 I CB 1.244 39.213 38.000 -0.052 0.000 1.326 433 I HN 0.967 nan 8.210 nan 0.000 0.462 434 G N 5.328 114.169 108.800 0.068 0.000 2.420 434 G HA2 0.508 4.468 3.960 -0.000 0.000 0.284 434 G HA3 0.508 4.468 3.960 -0.000 0.000 0.284 434 G C -0.734 174.036 174.900 -0.217 0.000 1.177 434 G CA -0.243 44.619 45.100 -0.397 0.000 0.841 434 G HN 0.334 nan 8.290 nan 0.000 0.527 435 V N 3.233 122.957 119.914 -0.317 0.000 2.349 435 V HA 0.239 4.359 4.120 -0.000 0.000 0.284 435 V C -0.511 175.563 176.094 -0.032 0.000 1.014 435 V CA -0.709 61.550 62.300 -0.069 0.000 0.826 435 V CB 1.232 33.052 31.823 -0.005 0.000 1.009 435 V HN 0.655 nan 8.190 nan 0.000 0.431 436 L N 5.059 126.356 121.223 0.124 0.000 2.276 436 L HA 0.547 4.886 4.340 -0.000 0.000 0.286 436 L C -0.080 176.795 176.870 0.008 0.000 1.061 436 L CA 0.408 55.341 54.840 0.156 0.000 0.807 436 L CB 1.205 43.357 42.059 0.155 0.000 1.177 436 L HN 0.624 nan 8.230 nan 0.000 0.429 437 D N 5.441 125.808 120.400 -0.055 0.000 2.329 437 D HA 0.350 4.990 4.640 -0.000 0.000 0.232 437 D C -1.209 174.952 176.300 -0.232 0.000 1.088 437 D CA -0.209 53.713 54.000 -0.129 0.000 0.835 437 D CB 1.129 41.839 40.800 -0.152 0.000 1.078 437 D HN 0.487 nan 8.370 nan 0.000 0.495 438 I N 3.986 124.432 120.570 -0.208 0.000 2.894 438 I HA 0.325 4.495 4.170 -0.000 0.000 0.302 438 I C -1.093 174.911 176.117 -0.188 0.000 1.188 438 I CA -0.938 60.171 61.300 -0.318 0.000 1.014 438 I CB 1.818 39.668 38.000 -0.250 0.000 1.242 438 I HN 0.278 nan 8.210 nan 0.000 0.430 439 Y N 3.515 123.786 120.300 -0.049 0.000 2.330 439 Y HA 0.739 5.289 4.550 -0.000 0.000 0.341 439 Y C 0.814 176.672 175.900 -0.070 0.000 1.278 439 Y CA -0.406 57.676 58.100 -0.030 0.000 1.453 439 Y CB -0.045 38.421 38.460 0.010 0.000 1.342 439 Y HN 0.614 nan 8.280 nan 0.000 0.590 440 G N 0.183 109.077 108.800 0.156 0.000 2.601 440 G HA2 0.465 4.425 3.960 -0.000 0.000 0.317 440 G HA3 0.465 4.425 3.960 -0.000 0.000 0.317 440 G C -1.407 173.498 174.900 0.009 0.000 1.246 440 G CA -1.171 43.945 45.100 0.026 0.000 1.012 440 G HN 0.503 nan 8.290 nan 0.000 0.494 441 F N -0.024 119.969 119.950 0.072 0.000 2.635 441 F HA 0.152 4.679 4.527 -0.000 0.000 0.379 441 F C 1.041 176.849 175.800 0.012 0.000 1.094 441 F CA 0.800 58.831 58.000 0.052 0.000 1.300 441 F CB 0.622 39.663 39.000 0.068 0.000 1.035 441 F HN 0.376 nan 8.300 nan 0.000 0.581 442 E N 2.016 122.310 120.200 0.156 0.000 2.279 442 E HA 0.337 4.687 4.350 -0.000 0.000 0.252 442 E C -1.465 175.068 176.600 -0.111 0.000 0.894 442 E CA -0.496 55.891 56.400 -0.021 0.000 0.785 442 E CB 0.901 30.480 29.700 -0.202 0.000 1.237 442 E HN 0.573 nan 8.360 nan 0.000 0.418 443 T N 4.837 119.376 114.554 -0.025 0.000 2.792 443 T HA 0.453 4.803 4.350 -0.000 0.000 0.280 443 T C -0.722 174.095 174.700 0.194 0.000 0.990 443 T CA -0.482 61.584 62.100 -0.056 0.000 0.960 443 T CB 0.261 69.090 68.868 -0.066 0.000 0.939 443 T HN 0.228 nan 8.240 nan 0.000 0.439 444 F N 1.301 121.216 119.950 -0.059 0.000 2.544 444 F HA 0.462 4.989 4.527 -0.000 0.000 0.378 444 F C 1.859 177.622 175.800 -0.062 0.000 1.112 444 F CA -1.686 56.289 58.000 -0.042 0.000 1.115 444 F CB 0.428 39.419 39.000 -0.015 0.000 1.436 444 F HN 0.461 nan 8.300 nan 0.000 0.496 445 E N 0.327 120.619 120.200 0.154 0.000 2.072 445 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 445 E C 0.341 176.979 176.600 0.064 0.000 0.982 445 E CA 1.256 57.691 56.400 0.058 0.000 0.803 445 E CB 0.156 29.867 29.700 0.020 0.000 0.755 445 E HN 0.349 nan 8.360 nan 0.000 0.453 446 I N 2.694 123.343 120.570 0.132 0.000 2.355 446 I HA 0.154 4.324 4.170 -0.000 0.000 0.288 446 I C -0.401 175.818 176.117 0.170 0.000 0.999 446 I CA -0.495 60.880 61.300 0.126 0.000 1.163 446 I CB 1.060 39.142 38.000 0.136 0.000 1.316 446 I HN -0.211 nan 8.210 nan 0.000 0.454 447 N N 4.717 123.458 118.700 0.069 0.000 2.408 447 N HA 0.406 5.146 4.740 -0.000 0.000 0.280 447 N C -0.605 175.055 175.510 0.250 0.000 1.002 447 N CA -0.208 52.879 53.050 0.062 0.000 0.907 447 N CB 2.306 40.689 38.487 -0.174 0.000 1.161 447 N HN 0.469 nan 8.380 nan 0.000 0.488 448 S N 0.424 116.280 115.700 0.260 0.000 2.702 448 S HA 0.353 4.823 4.470 -0.000 0.000 0.272 448 S C 0.931 175.646 174.600 0.192 0.000 1.068 448 S CA -0.532 57.853 58.200 0.309 0.000 0.964 448 S CB 0.271 63.569 63.200 0.164 0.000 1.307 448 S HN 0.483 nan 8.310 nan 0.000 0.567 449 F N 1.952 121.608 119.950 -0.489 0.000 2.216 449 F HA -0.015 4.512 4.527 -0.000 0.000 0.300 449 F C 1.864 177.483 175.800 -0.301 0.000 1.085 449 F CA 1.973 59.465 58.000 -0.847 0.000 1.326 449 F CB -0.414 37.968 39.000 -1.029 0.000 1.027 449 F HN 0.539 nan 8.300 nan 0.000 0.497 450 E N -0.099 119.980 120.200 -0.202 0.000 2.046 450 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 450 E C 2.077 178.516 176.600 -0.267 0.000 0.982 450 E CA 1.432 57.681 56.400 -0.252 0.000 0.800 450 E CB -0.311 29.347 29.700 -0.069 0.000 0.756 450 E HN 0.390 nan 8.360 nan 0.000 0.449 451 Q N -0.184 119.525 119.800 -0.153 0.000 2.084 451 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 451 Q C 1.824 177.884 176.000 0.101 0.000 0.978 451 Q CA 1.117 56.851 55.803 -0.114 0.000 0.844 451 Q CB -0.378 28.273 28.738 -0.146 0.000 0.898 451 Q HN 0.263 nan 8.270 nan 0.000 0.426 452 F N 0.065 120.035 119.950 0.034 0.000 2.120 452 F HA -0.333 4.194 4.527 -0.000 0.000 0.300 452 F C 1.887 177.579 175.800 -0.181 0.000 1.095 452 F CA 1.329 59.265 58.000 -0.107 0.000 1.249 452 F CB -0.350 38.538 39.000 -0.188 0.000 0.995 452 F HN 0.103 nan 8.300 nan 0.000 0.480 453 C N -0.203 118.861 119.300 -0.393 0.000 2.453 453 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 453 C C 2.630 177.382 174.990 -0.396 0.000 1.262 453 C CA 0.641 59.203 59.018 -0.761 0.000 1.718 453 C CB -1.248 25.605 27.740 -1.479 0.000 2.031 453 C HN 0.481 nan 8.230 nan 0.000 0.480 454 I N 2.177 122.534 120.570 -0.355 0.000 2.145 454 I HA -0.217 3.953 4.170 -0.000 0.000 0.244 454 I C 1.991 178.050 176.117 -0.096 0.000 1.075 454 I CA 1.775 62.848 61.300 -0.379 0.000 1.332 454 I CB -0.636 37.007 38.000 -0.594 0.000 1.033 454 I HN 0.355 nan 8.210 nan 0.000 0.410 455 N N -1.301 117.381 118.700 -0.029 0.000 2.457 455 N HA -0.166 4.574 4.740 -0.000 0.000 0.180 455 N C 1.748 177.268 175.510 0.017 0.000 1.050 455 N CA 0.534 53.667 53.050 0.138 0.000 0.906 455 N CB -0.350 38.433 38.487 0.492 0.000 0.968 455 N HN 0.412 nan 8.380 nan 0.000 0.445 456 Y N 1.630 121.788 120.300 -0.236 0.000 2.220 456 Y HA 0.119 4.669 4.550 -0.000 0.000 0.291 456 Y C 2.127 178.004 175.900 -0.039 0.000 1.129 456 Y CA 0.929 58.894 58.100 -0.226 0.000 1.161 456 Y CB -0.775 37.529 38.460 -0.260 0.000 0.997 456 Y HN 0.017 nan 8.280 nan 0.000 0.522 457 A N 0.788 123.594 122.820 -0.023 0.000 1.908 457 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 457 A C 2.232 179.742 177.584 -0.122 0.000 1.181 457 A CA 1.859 53.854 52.037 -0.070 0.000 0.627 457 A CB -0.881 18.246 19.000 0.212 0.000 0.818 457 A HN 0.623 nan 8.150 nan 0.000 0.445 458 N N -0.589 118.000 118.700 -0.186 0.000 2.331 458 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 458 N C 1.378 176.746 175.510 -0.236 0.000 1.019 458 N CA 0.922 53.727 53.050 -0.408 0.000 0.881 458 N CB -0.116 37.696 38.487 -1.125 0.000 0.972 458 N HN 0.460 nan 8.380 nan 0.000 0.435 459 E N 0.943 121.109 120.200 -0.057 0.000 2.204 459 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 459 E C 1.664 178.272 176.600 0.015 0.000 0.989 459 E CA 0.692 57.125 56.400 0.056 0.000 0.824 459 E CB 0.151 29.902 29.700 0.085 0.000 0.756 459 E HN 0.237 nan 8.360 nan 0.000 0.477 460 K N 0.547 120.925 120.400 -0.038 0.000 2.044 460 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 460 K C 2.418 178.989 176.600 -0.048 0.000 1.049 460 K CA 0.364 56.621 56.287 -0.050 0.000 0.945 460 K CB -0.461 31.967 32.500 -0.120 0.000 0.724 460 K HN 0.137 nan 8.250 nan 0.000 0.440 461 L N 0.951 122.128 121.223 -0.077 0.000 2.042 461 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 461 L C 2.589 179.452 176.870 -0.012 0.000 1.076 461 L CA 1.275 56.097 54.840 -0.031 0.000 0.749 461 L CB -0.355 41.669 42.059 -0.058 0.000 0.893 461 L HN 0.137 nan 8.230 nan 0.000 0.432 462 Q N -0.367 119.369 119.800 -0.107 0.000 2.224 462 Q HA -0.225 4.115 4.340 -0.000 0.000 0.203 462 Q C 2.139 178.081 176.000 -0.098 0.000 0.970 462 Q CA 1.294 56.966 55.803 -0.218 0.000 0.865 462 Q CB -0.058 28.465 28.738 -0.359 0.000 0.922 462 Q HN 0.450 nan 8.270 nan 0.000 0.445 463 Q N -0.421 119.376 119.800 -0.005 0.000 2.079 463 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 463 Q C 2.053 178.133 176.000 0.134 0.000 0.974 463 Q CA 1.509 57.352 55.803 0.066 0.000 0.840 463 Q CB -0.109 28.673 28.738 0.074 0.000 0.898 463 Q HN 0.531 nan 8.270 nan 0.000 0.430 464 Q N -0.173 119.708 119.800 0.135 0.000 1.993 464 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 464 Q C 2.014 178.172 176.000 0.262 0.000 0.984 464 Q CA 1.602 57.515 55.803 0.183 0.000 0.837 464 Q CB -0.545 28.283 28.738 0.150 0.000 0.902 464 Q HN 0.489 nan 8.270 nan 0.000 0.423 465 F N 1.930 121.929 119.950 0.081 0.000 2.082 465 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 465 F C 1.720 177.524 175.800 0.006 0.000 1.091 465 F CA 2.522 60.474 58.000 -0.080 0.000 1.230 465 F CB -0.344 38.337 39.000 -0.532 0.000 0.983 465 F HN 0.262 nan 8.300 nan 0.000 0.485 466 N N -0.337 118.517 118.700 0.257 0.000 2.270 466 N HA -0.153 4.587 4.740 -0.000 0.000 0.181 466 N C 1.885 177.587 175.510 0.320 0.000 1.016 466 N CA 1.075 54.234 53.050 0.182 0.000 0.870 466 N CB -0.176 38.320 38.487 0.016 0.000 0.979 466 N HN 0.361 nan 8.380 nan 0.000 0.431 467 M N 0.365 120.210 119.600 0.408 0.000 2.080 467 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 467 M C 2.329 178.823 176.300 0.323 0.000 1.068 467 M CA 1.573 57.141 55.300 0.446 0.000 1.109 467 M CB -0.292 32.481 32.600 0.288 0.000 1.342 467 M HN 0.277 nan 8.290 nan 0.000 0.405 468 H N -0.734 118.417 119.070 0.135 0.000 2.293 468 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 468 H C 1.951 177.292 175.328 0.023 0.000 1.082 468 H CA 2.028 58.116 56.048 0.067 0.000 1.308 468 H CB -0.041 29.752 29.762 0.052 0.000 1.375 468 H HN 0.185 nan 8.280 nan 0.000 0.495 469 V N 1.028 120.921 119.914 -0.036 0.000 2.469 469 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 469 V C 2.408 178.557 176.094 0.091 0.000 1.064 469 V CA 1.863 64.120 62.300 -0.072 0.000 1.066 469 V CB -0.949 30.746 31.823 -0.213 0.000 0.667 469 V HN 0.299 nan 8.190 nan 0.000 0.461 470 F N 1.509 121.511 119.950 0.085 0.000 2.293 470 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 470 F C 2.232 178.047 175.800 0.024 0.000 1.086 470 F CA 1.755 59.840 58.000 0.142 0.000 1.375 470 F CB -0.442 38.753 39.000 0.325 0.000 1.045 470 F HN 0.121 nan 8.300 nan 0.000 0.516 471 K N 0.805 121.224 120.400 0.031 0.000 2.005 471 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 471 K C 1.996 178.489 176.600 -0.178 0.000 1.044 471 K CA 1.489 57.718 56.287 -0.097 0.000 0.942 471 K CB -1.454 30.986 32.500 -0.099 0.000 0.727 471 K HN 0.410 nan 8.250 nan 0.000 0.439 472 L N 0.666 121.753 121.223 -0.226 0.000 2.089 472 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 472 L C 2.738 179.546 176.870 -0.104 0.000 1.079 472 L CA 1.571 56.319 54.840 -0.154 0.000 0.758 472 L CB -0.481 41.498 42.059 -0.134 0.000 0.891 472 L HN 0.488 nan 8.230 nan 0.000 0.433 473 E N -0.141 119.983 120.200 -0.126 0.000 2.051 473 E HA -0.187 4.163 4.350 -0.000 0.000 0.189 473 E C 2.166 178.658 176.600 -0.181 0.000 0.979 473 E CA 0.829 57.166 56.400 -0.106 0.000 0.803 473 E CB -0.160 29.499 29.700 -0.068 0.000 0.761 473 E HN 0.545 nan 8.360 nan 0.000 0.451 474 Q N 0.613 120.216 119.800 -0.329 0.000 2.152 474 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 474 Q C 2.001 177.904 176.000 -0.162 0.000 0.985 474 Q CA 1.411 57.038 55.803 -0.294 0.000 0.863 474 Q CB -0.040 28.484 28.738 -0.355 0.000 0.904 474 Q HN 0.315 nan 8.270 nan 0.000 0.422 475 E N 0.055 120.179 120.200 -0.127 0.000 2.072 475 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 475 E C 1.809 178.379 176.600 -0.049 0.000 0.985 475 E CA 1.048 57.402 56.400 -0.076 0.000 0.801 475 E CB 0.084 29.746 29.700 -0.063 0.000 0.750 475 E HN 0.199 nan 8.360 nan 0.000 0.452 476 E N -0.505 119.674 120.200 -0.034 0.000 2.110 476 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 476 E C 2.071 178.654 176.600 -0.029 0.000 0.988 476 E CA 1.698 58.106 56.400 0.014 0.000 0.804 476 E CB -0.357 29.392 29.700 0.082 0.000 0.745 476 E HN 0.506 nan 8.360 nan 0.000 0.458 477 Y N 0.211 120.451 120.300 -0.099 0.000 2.163 477 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 477 Y C 2.361 178.178 175.900 -0.138 0.000 1.136 477 Y CA 1.990 59.982 58.100 -0.179 0.000 1.147 477 Y CB -0.894 37.449 38.460 -0.196 0.000 0.987 477 Y HN 0.096 nan 8.280 nan 0.000 0.509 478 M N -0.181 119.359 119.600 -0.100 0.000 2.080 478 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 478 M C 2.199 178.469 176.300 -0.049 0.000 1.068 478 M CA 2.414 57.671 55.300 -0.072 0.000 1.109 478 M CB -0.387 32.176 32.600 -0.060 0.000 1.342 478 M HN 0.424 nan 8.290 nan 0.000 0.405 479 K N 0.356 120.737 120.400 -0.032 0.000 2.442 479 K HA -0.130 4.190 4.320 -0.000 0.000 0.198 479 K C 0.408 177.015 176.600 0.012 0.000 1.044 479 K CA 0.987 57.272 56.287 -0.002 0.000 0.948 479 K CB 0.212 32.722 32.500 0.016 0.000 0.762 479 K HN 0.380 nan 8.250 nan 0.000 0.472 480 E N 0.142 120.335 120.200 -0.012 0.000 2.876 480 E HA 0.024 4.374 4.350 -0.000 0.000 0.208 480 E C -0.898 175.667 176.600 -0.059 0.000 0.981 480 E CA -0.070 56.332 56.400 0.003 0.000 1.174 480 E CB 0.977 30.715 29.700 0.064 0.000 1.047 480 E HN 0.220 nan 8.360 nan 0.000 0.477 481 Q N -0.636 119.120 119.800 -0.072 0.000 2.452 481 Q HA -0.224 4.115 4.340 -0.000 0.000 0.318 481 Q C -0.224 175.700 176.000 -0.126 0.000 1.386 481 Q CA 1.085 56.842 55.803 -0.077 0.000 0.872 481 Q CB -2.446 26.271 28.738 -0.035 0.000 1.151 481 Q HN 0.455 nan 8.270 nan 0.000 0.417 482 I N -1.044 119.403 120.570 -0.205 0.000 2.730 482 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 482 I C -1.606 174.360 176.117 -0.251 0.000 1.089 482 I CA -2.063 59.067 61.300 -0.284 0.000 1.041 482 I CB 0.778 38.465 38.000 -0.522 0.000 1.235 482 I HN 0.004 nan 8.210 nan 0.000 0.423 489 F N 3.496 123.549 119.950 0.171 0.000 2.408 489 F HA 0.517 5.044 4.527 -0.000 0.000 0.344 489 F C -1.132 174.690 175.800 0.036 0.000 1.112 489 F CA -0.601 57.364 58.000 -0.058 0.000 1.096 489 F CB 0.713 39.365 39.000 -0.580 0.000 1.129 489 F HN 0.315 nan 8.300 nan 0.000 0.486 490 Y N 5.671 125.393 120.300 -0.964 0.000 2.342 490 Y HA 0.334 4.884 4.550 -0.000 0.000 0.338 490 Y C -1.078 174.271 175.900 -0.918 0.000 0.965 490 Y CA -0.685 57.046 58.100 -0.615 0.000 1.159 490 Y CB 0.673 39.023 38.460 -0.184 0.000 1.157 490 Y HN 0.625 nan 8.280 nan 0.000 0.486 491 D N 4.766 124.624 120.400 -0.904 0.000 2.453 491 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 491 D C -0.665 175.477 176.300 -0.263 0.000 1.088 491 D CA -0.617 53.163 54.000 -0.367 0.000 0.854 491 D CB 0.539 41.327 40.800 -0.021 0.000 1.076 491 D HN 0.646 nan 8.370 nan 0.000 0.533 492 N N 3.001 121.681 118.700 -0.032 0.000 2.320 492 N HA 0.005 4.745 4.740 -0.000 0.000 0.237 492 N C 1.009 176.565 175.510 0.077 0.000 1.129 492 N CA -0.221 52.872 53.050 0.073 0.000 0.854 492 N CB 0.667 39.303 38.487 0.247 0.000 1.083 492 N HN 0.303 nan 8.380 nan 0.000 0.504 493 Q N 1.309 121.144 119.800 0.058 0.000 2.079 493 Q HA 0.112 4.452 4.340 -0.000 0.000 0.200 493 Q C -0.931 175.100 176.000 0.052 0.000 0.974 493 Q CA 1.498 57.339 55.803 0.063 0.000 0.840 493 Q CB -0.963 27.810 28.738 0.059 0.000 0.898 493 Q HN 0.250 nan 8.270 nan 0.000 0.430 494 P HA -0.186 nan 4.420 nan 0.000 0.216 494 P C 1.321 178.647 177.300 0.043 0.000 1.153 494 P CA 1.336 64.454 63.100 0.031 0.000 0.858 494 P CB -0.319 31.393 31.700 0.020 0.000 0.789 495 C N -1.063 118.278 119.300 0.068 0.000 2.432 495 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 495 C C 2.577 177.606 174.990 0.064 0.000 1.249 495 C CA 0.574 59.644 59.018 0.087 0.000 1.725 495 C CB -1.713 26.103 27.740 0.126 0.000 2.028 495 C HN 0.067 nan 8.230 nan 0.000 0.477 496 I N 1.389 122.008 120.570 0.082 0.000 2.226 496 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 496 I C 2.198 178.359 176.117 0.075 0.000 1.100 496 I CA 2.153 63.519 61.300 0.109 0.000 1.374 496 I CB -0.630 37.458 38.000 0.147 0.000 1.057 496 I HN 0.512 nan 8.210 nan 0.000 0.413 497 N N 0.501 119.235 118.700 0.056 0.000 2.223 497 N HA -0.209 4.531 4.740 -0.000 0.000 0.185 497 N C 1.809 177.315 175.510 -0.007 0.000 1.016 497 N CA 0.833 53.903 53.050 0.034 0.000 0.863 497 N CB -0.109 38.394 38.487 0.026 0.000 0.983 497 N HN 0.228 nan 8.380 nan 0.000 0.429 498 L N 0.796 122.000 121.223 -0.032 0.000 2.156 498 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 498 L C 1.663 178.500 176.870 -0.055 0.000 1.095 498 L CA 1.255 56.025 54.840 -0.117 0.000 0.770 498 L CB -0.133 41.866 42.059 -0.100 0.000 0.914 498 L HN 0.125 nan 8.230 nan 0.000 0.439 499 I N -0.045 120.509 120.570 -0.025 0.000 2.193 499 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 499 I C 2.298 178.355 176.117 -0.101 0.000 1.084 499 I CA 1.872 63.132 61.300 -0.067 0.000 1.365 499 I CB -0.170 37.626 38.000 -0.340 0.000 1.064 499 I HN 0.470 nan 8.210 nan 0.000 0.410 500 E N 0.669 120.821 120.200 -0.080 0.000 2.485 500 E HA 0.330 4.680 4.350 -0.000 0.000 0.213 500 E C 0.964 177.586 176.600 0.035 0.000 0.923 500 E CA -0.101 56.283 56.400 -0.027 0.000 1.054 500 E CB 0.114 29.858 29.700 0.074 0.000 1.077 500 E HN 0.229 nan 8.360 nan 0.000 0.509 501 A N 1.619 124.464 122.820 0.042 0.000 2.346 501 A HA 0.498 4.818 4.320 -0.000 0.000 0.255 501 A C 0.511 178.117 177.584 0.037 0.000 1.113 501 A CA 0.234 52.299 52.037 0.046 0.000 0.798 501 A CB -0.036 18.989 19.000 0.042 0.000 1.073 501 A HN 0.366 nan 8.150 nan 0.000 0.502 502 K N 0.248 120.669 120.400 0.035 0.000 2.382 502 K HA 0.463 4.783 4.320 -0.000 0.000 0.275 502 K C 0.769 177.393 176.600 0.039 0.000 1.009 502 K CA 0.478 56.782 56.287 0.029 0.000 0.970 502 K CB -0.452 32.062 32.500 0.022 0.000 0.934 502 K HN 1.221 nan 8.250 nan 0.000 0.479 503 M N -1.602 118.018 119.600 0.033 0.000 2.907 503 M HA -0.147 4.333 4.480 -0.000 0.000 0.186 503 M C 0.866 177.244 176.300 0.130 0.000 0.631 503 M CA 1.208 56.527 55.300 0.032 0.000 0.700 503 M CB -2.679 29.926 32.600 0.008 0.000 2.523 503 M HN 1.061 nan 8.290 nan 0.000 0.323 504 G N -0.019 108.856 108.800 0.126 0.000 2.553 504 G HA2 0.392 4.352 3.960 -0.000 0.000 0.278 504 G HA3 0.392 4.352 3.960 -0.000 0.000 0.278 504 G C 1.041 176.046 174.900 0.175 0.000 1.349 504 G CA 0.017 45.203 45.100 0.143 0.000 1.037 504 G HN 0.112 nan 8.290 nan 0.000 0.508 505 V N -0.117 119.881 119.914 0.139 0.000 2.295 505 V HA -0.136 3.983 4.120 -0.000 0.000 0.246 505 V C 2.879 179.082 176.094 0.181 0.000 1.049 505 V CA 1.565 63.933 62.300 0.113 0.000 1.024 505 V CB -0.734 31.134 31.823 0.076 0.000 0.648 505 V HN 0.485 nan 8.190 nan 0.000 0.447 506 L N -0.226 121.087 121.223 0.150 0.000 2.131 506 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 506 L C 2.339 179.252 176.870 0.072 0.000 1.087 506 L CA 1.553 56.470 54.840 0.129 0.000 0.767 506 L CB -0.594 41.526 42.059 0.101 0.000 0.917 506 L HN 0.365 nan 8.230 nan 0.000 0.441 507 D N 0.590 121.023 120.400 0.055 0.000 2.092 507 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 507 D C 2.289 178.616 176.300 0.044 0.000 0.994 507 D CA 1.419 55.437 54.000 0.029 0.000 0.828 507 D CB -0.036 40.778 40.800 0.024 0.000 0.963 507 D HN 0.146 nan 8.370 nan 0.000 0.450 508 L N -0.202 121.073 121.223 0.087 0.000 2.079 508 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 508 L C 2.428 179.402 176.870 0.174 0.000 1.081 508 L CA 0.427 55.341 54.840 0.124 0.000 0.752 508 L CB -0.435 41.691 42.059 0.112 0.000 0.896 508 L HN 0.204 nan 8.230 nan 0.000 0.433 509 L N -0.050 121.270 121.223 0.161 0.000 1.976 509 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 509 L C 2.121 178.844 176.870 -0.245 0.000 1.071 509 L CA 1.942 56.591 54.840 -0.319 0.000 0.746 509 L CB -0.728 41.098 42.059 -0.388 0.000 0.890 509 L HN 0.181 nan 8.230 nan 0.000 0.432 510 D N -0.349 119.990 120.400 -0.102 0.000 2.158 510 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 510 D C 2.085 178.352 176.300 -0.055 0.000 0.995 510 D CA 1.323 55.285 54.000 -0.063 0.000 0.846 510 D CB -0.003 40.797 40.800 0.001 0.000 0.941 510 D HN 0.513 nan 8.370 nan 0.000 0.456 511 E N 0.211 120.390 120.200 -0.036 0.000 2.208 511 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 511 E C 1.772 178.348 176.600 -0.040 0.000 0.988 511 E CA 0.504 56.889 56.400 -0.023 0.000 0.828 511 E CB 0.033 29.730 29.700 -0.006 0.000 0.763 511 E HN 0.253 nan 8.360 nan 0.000 0.478 512 E N 0.041 120.199 120.200 -0.069 0.000 2.358 512 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 512 E C 1.665 178.202 176.600 -0.105 0.000 1.010 512 E CA 0.351 56.708 56.400 -0.071 0.000 0.856 512 E CB -0.069 29.591 29.700 -0.067 0.000 0.795 512 E HN 0.129 nan 8.360 nan 0.000 0.504 513 C N -0.145 119.076 119.300 -0.131 0.000 2.464 513 C HA 0.075 4.535 4.460 -0.000 0.000 0.278 513 C C 2.676 177.624 174.990 -0.070 0.000 1.375 513 C CA 1.028 59.973 59.018 -0.123 0.000 1.761 513 C CB -0.756 26.897 27.740 -0.144 0.000 1.944 513 C HN 0.584 nan 8.230 nan 0.000 0.509 514 K N -0.035 120.336 120.400 -0.047 0.000 2.025 514 K HA 0.044 4.364 4.320 -0.000 0.000 0.207 514 K C 0.947 177.535 176.600 -0.021 0.000 1.049 514 K CA 1.021 57.295 56.287 -0.023 0.000 0.933 514 K CB -0.574 31.919 32.500 -0.013 0.000 0.714 514 K HN 0.422 nan 8.250 nan 0.000 0.438 515 M N 1.705 121.290 119.600 -0.025 0.000 2.356 515 M HA 0.045 4.525 4.480 -0.000 0.000 0.348 515 M C -1.648 174.640 176.300 -0.019 0.000 1.595 515 M CA -1.959 53.330 55.300 -0.018 0.000 1.095 515 M CB 0.919 33.509 32.600 -0.015 0.000 1.963 515 M HN 0.103 nan 8.290 nan 0.000 0.459 516 P HA -0.004 nan 4.420 nan 0.000 0.227 516 P C 0.760 178.057 177.300 -0.006 0.000 1.161 516 P CA 1.137 64.235 63.100 -0.003 0.000 0.788 516 P CB -0.017 31.697 31.700 0.024 0.000 0.822 517 K N 0.814 121.212 120.400 -0.003 0.000 2.504 517 K HA 0.312 4.632 4.320 -0.000 0.000 0.199 517 K C 1.136 177.733 176.600 -0.006 0.000 1.028 517 K CA 0.303 56.589 56.287 -0.002 0.000 1.164 517 K CB -1.204 31.297 32.500 0.003 0.000 0.877 517 K HN 0.286 nan 8.250 nan 0.000 0.508 518 G N 1.447 110.238 108.800 -0.016 0.000 2.361 518 G HA2 0.397 4.357 3.960 -0.000 0.000 0.260 518 G HA3 0.397 4.357 3.960 -0.000 0.000 0.260 518 G C 0.232 175.119 174.900 -0.021 0.000 1.261 518 G CA 0.517 45.607 45.100 -0.017 0.000 0.897 518 G HN 0.668 nan 8.290 nan 0.000 0.499 519 S N 1.283 116.987 115.700 0.006 0.000 2.677 519 S HA 0.392 4.862 4.470 -0.000 0.000 0.304 519 S C 0.669 175.307 174.600 0.063 0.000 1.108 519 S CA -0.675 57.533 58.200 0.014 0.000 0.944 519 S CB 1.941 65.157 63.200 0.027 0.000 1.127 519 S HN 0.383 nan 8.310 nan 0.000 0.511 520 D N 1.185 121.628 120.400 0.071 0.000 2.200 520 D HA -0.176 4.463 4.640 -0.000 0.000 0.192 520 D C 0.925 177.348 176.300 0.205 0.000 1.008 520 D CA 2.035 56.147 54.000 0.185 0.000 0.872 520 D CB -0.408 40.483 40.800 0.151 0.000 0.923 520 D HN 0.649 nan 8.370 nan 0.000 0.447 521 D N -0.943 119.527 120.400 0.117 0.000 2.213 521 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 521 D C 2.228 178.562 176.300 0.056 0.000 0.961 521 D CA 1.475 55.523 54.000 0.080 0.000 0.853 521 D CB -0.460 40.380 40.800 0.065 0.000 0.967 521 D HN 0.358 nan 8.370 nan 0.000 0.496 522 T N -2.344 112.250 114.554 0.067 0.000 2.904 522 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 522 T C 1.876 176.608 174.700 0.053 0.000 1.059 522 T CA 0.395 62.521 62.100 0.044 0.000 1.137 522 T CB -0.552 68.338 68.868 0.037 0.000 0.879 522 T HN 0.164 nan 8.240 nan 0.000 0.467 523 W N 2.719 123.944 121.300 -0.126 0.000 2.333 523 W HA 0.084 4.744 4.660 -0.000 0.000 0.316 523 W C 2.679 179.031 176.519 -0.279 0.000 1.215 523 W CA 1.251 58.484 57.345 -0.186 0.000 1.278 523 W CB -1.015 28.340 29.460 -0.176 0.000 1.154 523 W HN 0.355 nan 8.180 nan 0.000 0.486 524 A N 0.141 122.716 122.820 -0.408 0.000 1.892 524 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 524 A C 1.946 178.992 177.584 -0.898 0.000 1.188 524 A CA 2.149 53.718 52.037 -0.780 0.000 0.631 524 A CB -1.012 17.760 19.000 -0.380 0.000 0.822 524 A HN 0.452 nan 8.150 nan 0.000 0.447 525 Q N -0.255 119.312 119.800 -0.387 0.000 2.170 525 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 525 Q C 1.927 177.786 176.000 -0.235 0.000 0.976 525 Q CA 1.310 57.007 55.803 -0.178 0.000 0.858 525 Q CB -0.335 28.389 28.738 -0.022 0.000 0.907 525 Q HN 0.593 nan 8.270 nan 0.000 0.433 526 K N 0.799 121.026 120.400 -0.289 0.000 2.025 526 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 526 K C 2.367 178.688 176.600 -0.465 0.000 1.049 526 K CA 0.704 56.819 56.287 -0.287 0.000 0.933 526 K CB -0.575 31.817 32.500 -0.180 0.000 0.714 526 K HN 0.237 nan 8.250 nan 0.000 0.438 527 L N 0.116 120.922 121.223 -0.695 0.000 2.042 527 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 527 L C 2.579 179.046 176.870 -0.672 0.000 1.076 527 L CA 1.412 55.765 54.840 -0.812 0.000 0.749 527 L CB -0.877 40.629 42.059 -0.923 0.000 0.893 527 L HN 0.063 nan 8.230 nan 0.000 0.432 528 Y N 0.217 120.342 120.300 -0.292 0.000 2.145 528 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 528 Y C 2.621 178.388 175.900 -0.221 0.000 1.145 528 Y CA 0.591 58.591 58.100 -0.167 0.000 1.148 528 Y CB -1.211 37.228 38.460 -0.035 0.000 0.981 528 Y HN 0.236 nan 8.280 nan 0.000 0.507 529 N N -0.547 118.105 118.700 -0.081 0.000 2.205 529 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 529 N C 1.651 177.048 175.510 -0.188 0.000 1.015 529 N CA 1.900 54.889 53.050 -0.102 0.000 0.862 529 N CB -0.611 37.815 38.487 -0.101 0.000 0.986 529 N HN 0.390 nan 8.380 nan 0.000 0.429 530 T N 0.171 114.509 114.554 -0.361 0.000 2.866 530 T HA 0.029 4.379 4.350 -0.000 0.000 0.250 530 T C 1.233 175.650 174.700 -0.472 0.000 1.033 530 T CA 0.766 62.579 62.100 -0.478 0.000 1.145 530 T CB -0.044 68.374 68.868 -0.750 0.000 0.866 530 T HN 0.384 nan 8.240 nan 0.000 0.434 531 H N -0.535 118.253 119.070 -0.470 0.000 2.740 531 H HA 0.352 4.908 4.556 -0.000 0.000 0.265 531 H C 0.296 175.409 175.328 -0.359 0.000 0.978 531 H CA -0.499 55.218 56.048 -0.552 0.000 1.198 531 H CB -0.007 29.182 29.762 -0.956 0.000 1.467 531 H HN 0.181 nan 8.280 nan 0.000 0.511 532 L N 2.901 124.069 121.223 -0.093 0.000 2.410 532 L HA 0.084 4.424 4.340 -0.000 0.000 0.273 532 L C 0.502 177.441 176.870 0.114 0.000 1.144 532 L CA 0.277 55.233 54.840 0.194 0.000 0.863 532 L CB 0.123 42.334 42.059 0.254 0.000 1.140 532 L HN 0.184 nan 8.230 nan 0.000 0.463 533 N N 2.713 121.499 118.700 0.144 0.000 2.753 533 N HA -0.247 4.493 4.740 -0.000 0.000 0.251 533 N C 0.511 176.058 175.510 0.063 0.000 1.097 533 N CA 1.592 54.693 53.050 0.085 0.000 0.786 533 N CB -0.634 37.883 38.487 0.050 0.000 1.137 533 N HN 0.742 nan 8.380 nan 0.000 0.566 534 K N -0.992 119.449 120.400 0.069 0.000 2.412 534 K HA 0.235 4.555 4.320 -0.000 0.000 0.201 534 K C 0.482 177.117 176.600 0.059 0.000 1.275 534 K CA 0.470 56.785 56.287 0.046 0.000 0.910 534 K CB 0.736 33.251 32.500 0.025 0.000 1.346 534 K HN 0.228 nan 8.250 nan 0.000 0.490 535 C N 1.502 120.852 119.300 0.083 0.000 2.255 535 C HA 0.604 5.064 4.460 -0.000 0.000 0.326 535 C C 1.521 176.593 174.990 0.136 0.000 1.258 535 C CA -0.668 58.401 59.018 0.085 0.000 1.676 535 C CB 0.087 27.849 27.740 0.036 0.000 2.314 535 C HN 0.588 nan 8.230 nan 0.000 0.509 536 A N 4.989 127.868 122.820 0.098 0.000 2.172 536 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 536 A C 1.653 179.304 177.584 0.111 0.000 1.154 536 A CA 1.159 53.254 52.037 0.097 0.000 0.701 536 A CB -0.284 18.753 19.000 0.062 0.000 0.789 536 A HN 0.928 nan 8.150 nan 0.000 0.465 537 L N -2.031 119.272 121.223 0.133 0.000 2.592 537 L HA 0.248 4.588 4.340 -0.000 0.000 0.227 537 L C 0.225 177.214 176.870 0.198 0.000 1.127 537 L CA -0.009 54.918 54.840 0.144 0.000 0.884 537 L CB -0.186 41.957 42.059 0.141 0.000 1.065 537 L HN 0.439 nan 8.230 nan 0.000 0.457 538 F N 1.470 121.464 119.950 0.074 0.000 2.426 538 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 538 F C 0.140 176.007 175.800 0.111 0.000 1.124 538 F CA -0.446 57.618 58.000 0.107 0.000 1.008 538 F CB 0.941 39.988 39.000 0.078 0.000 1.139 538 F HN -0.077 nan 8.300 nan 0.000 0.452 539 E N 4.319 124.288 120.200 -0.385 0.000 2.392 539 E HA 0.339 4.689 4.350 -0.000 0.000 0.269 539 E C -1.521 174.921 176.600 -0.264 0.000 0.924 539 E CA -1.369 54.930 56.400 -0.169 0.000 0.784 539 E CB 2.725 32.376 29.700 -0.083 0.000 1.292 539 E HN 0.437 nan 8.360 nan 0.000 0.447 540 K N 1.745 122.087 120.400 -0.097 0.000 2.207 540 K HA 0.439 4.759 4.320 -0.000 0.000 0.255 540 K C -2.584 173.961 176.600 -0.091 0.000 0.941 540 K CA -2.136 54.095 56.287 -0.093 0.000 0.825 540 K CB 1.166 33.533 32.500 -0.222 0.000 1.119 540 K HN 0.146 nan 8.250 nan 0.000 0.430 541 P HA 0.007 nan 4.420 nan 0.000 0.267 541 P C -0.178 177.080 177.300 -0.070 0.000 1.200 541 P CA -0.013 63.048 63.100 -0.065 0.000 0.772 541 P CB 0.613 32.284 31.700 -0.047 0.000 0.855 542 R N 2.342 122.807 120.500 -0.058 0.000 2.148 542 R HA -0.007 4.333 4.340 -0.000 0.000 0.227 542 R C 0.672 176.942 176.300 -0.051 0.000 1.103 542 R CA 1.298 57.365 56.100 -0.055 0.000 0.983 542 R CB -0.186 30.088 30.300 -0.043 0.000 0.874 542 R HN 0.468 nan 8.270 nan 0.000 0.451 543 L N 0.064 121.262 121.223 -0.041 0.000 3.366 543 L HA 0.292 4.632 4.340 -0.000 0.000 0.304 543 L C -0.412 176.447 176.870 -0.019 0.000 1.292 543 L CA -0.374 54.448 54.840 -0.029 0.000 1.012 543 L CB 1.398 43.444 42.059 -0.022 0.000 1.414 543 L HN -0.017 nan 8.230 nan 0.000 0.603 544 S N -0.942 114.746 115.700 -0.021 0.000 2.588 544 S HA 0.444 4.914 4.470 -0.000 0.000 0.275 544 S C -0.113 174.498 174.600 0.019 0.000 1.130 544 S CA -0.398 57.806 58.200 0.006 0.000 0.855 544 S CB 1.840 65.050 63.200 0.018 0.000 1.116 544 S HN 0.132 nan 8.310 nan 0.000 0.472 545 N N 0.770 119.512 118.700 0.070 0.000 2.171 545 N HA 0.342 5.082 4.740 -0.000 0.000 0.212 545 N C -0.200 175.449 175.510 0.231 0.000 1.184 545 N CA 0.217 53.353 53.050 0.143 0.000 0.888 545 N CB 0.402 38.949 38.487 0.100 0.000 1.038 545 N HN 0.560 nan 8.380 nan 0.000 0.517 546 K N -0.582 119.917 120.400 0.165 0.000 2.644 546 K HA 0.457 4.777 4.320 -0.000 0.000 0.198 546 K C -0.783 175.882 176.600 0.107 0.000 1.113 546 K CA -0.175 56.185 56.287 0.123 0.000 1.073 546 K CB 1.907 34.464 32.500 0.094 0.000 0.811 546 K HN -0.008 nan 8.250 nan 0.000 0.508 547 A N 1.302 124.207 122.820 0.142 0.000 2.606 547 A HA 0.809 5.129 4.320 -0.000 0.000 0.293 547 A C -1.672 176.010 177.584 0.163 0.000 1.082 547 A CA -0.814 51.262 52.037 0.065 0.000 0.685 547 A CB 1.087 20.089 19.000 0.003 0.000 1.284 547 A HN 0.231 nan 8.150 nan 0.000 0.408 548 F N -0.760 119.174 119.950 -0.026 0.000 2.619 548 F HA 0.854 5.381 4.527 -0.000 0.000 0.308 548 F C -1.443 174.282 175.800 -0.124 0.000 1.097 548 F CA -1.191 56.731 58.000 -0.130 0.000 0.953 548 F CB 1.000 39.876 39.000 -0.206 0.000 1.287 548 F HN 0.391 nan 8.300 nan 0.000 0.446 549 I N 4.684 125.178 120.570 -0.127 0.000 2.404 549 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 549 I C -0.756 175.343 176.117 -0.031 0.000 0.992 549 I CA -0.840 60.394 61.300 -0.109 0.000 1.149 549 I CB 1.697 39.609 38.000 -0.147 0.000 1.315 549 I HN 0.449 nan 8.210 nan 0.000 0.446 550 I N 5.597 126.246 120.570 0.131 0.000 2.404 550 I HA 0.256 4.426 4.170 -0.000 0.000 0.293 550 I C 0.207 176.381 176.117 0.096 0.000 0.992 550 I CA -0.775 60.663 61.300 0.230 0.000 1.149 550 I CB 1.631 39.970 38.000 0.566 0.000 1.315 550 I HN 0.568 nan 8.210 nan 0.000 0.446 551 K N 5.887 126.376 120.400 0.149 0.000 2.167 551 K HA 0.125 4.445 4.320 -0.000 0.000 0.275 551 K C -0.298 176.476 176.600 0.291 0.000 1.103 551 K CA -0.286 56.078 56.287 0.128 0.000 0.963 551 K CB 0.036 32.595 32.500 0.100 0.000 1.243 551 K HN 0.433 nan 8.250 nan 0.000 0.407 552 H N 1.952 121.040 119.070 0.030 0.000 2.490 552 H HA 0.008 4.564 4.556 -0.000 0.000 0.354 552 H C 0.847 176.167 175.328 -0.013 0.000 1.365 552 H CA -0.990 55.086 56.048 0.046 0.000 1.413 552 H CB 0.210 29.944 29.762 -0.047 0.000 1.631 552 H HN 0.444 nan 8.280 nan 0.000 0.607 553 F N 1.153 121.111 119.950 0.013 0.000 2.043 553 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 553 F C 2.246 177.885 175.800 -0.268 0.000 1.121 553 F CA 2.232 60.181 58.000 -0.085 0.000 1.199 553 F CB -0.711 38.295 39.000 0.009 0.000 0.968 553 F HN 0.557 nan 8.300 nan 0.000 0.478 554 A N -1.655 120.784 122.820 -0.635 0.000 2.066 554 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 554 A C -0.065 177.258 177.584 -0.434 0.000 1.157 554 A CA 1.415 53.093 52.037 -0.600 0.000 0.670 554 A CB -0.379 18.250 19.000 -0.618 0.000 0.804 554 A HN 0.511 nan 8.150 nan 0.000 0.453 555 D N -2.619 117.554 120.400 -0.379 0.000 2.898 555 D HA 0.176 4.816 4.640 -0.000 0.000 0.254 555 D C -1.482 174.671 176.300 -0.246 0.000 1.107 555 D CA -0.550 53.290 54.000 -0.267 0.000 0.729 555 D CB 0.453 41.102 40.800 -0.252 0.000 1.734 555 D HN -0.016 nan 8.370 nan 0.000 0.452 556 K N 0.754 121.042 120.400 -0.186 0.000 2.491 556 K HA 0.343 4.663 4.320 -0.000 0.000 0.279 556 K C -0.470 175.965 176.600 -0.276 0.000 1.026 556 K CA 0.253 56.422 56.287 -0.196 0.000 1.070 556 K CB 0.496 32.913 32.500 -0.138 0.000 0.887 556 K HN 0.141 nan 8.250 nan 0.000 0.481 557 V N 3.479 123.160 119.914 -0.387 0.000 2.409 557 V HA 0.185 4.305 4.120 -0.000 0.000 0.291 557 V C -0.165 175.599 176.094 -0.550 0.000 1.020 557 V CA -0.852 61.132 62.300 -0.527 0.000 0.848 557 V CB 1.446 32.819 31.823 -0.749 0.000 0.990 557 V HN 0.727 nan 8.190 nan 0.000 0.430 558 E N 3.933 123.845 120.200 -0.481 0.000 2.227 558 E HA 0.452 4.802 4.350 -0.000 0.000 0.282 558 E C -1.736 174.544 176.600 -0.532 0.000 1.015 558 E CA -0.386 55.784 56.400 -0.384 0.000 0.823 558 E CB 0.865 30.426 29.700 -0.232 0.000 1.081 558 E HN 0.622 nan 8.360 nan 0.000 0.396 559 Y N 2.304 122.344 120.300 -0.432 0.000 2.446 559 Y HA 0.237 4.787 4.550 -0.000 0.000 0.345 559 Y C -0.002 175.669 175.900 -0.380 0.000 0.984 559 Y CA -1.056 56.802 58.100 -0.404 0.000 1.058 559 Y CB 1.782 39.857 38.460 -0.642 0.000 1.220 559 Y HN 0.411 nan 8.280 nan 0.000 0.455 560 Q N 1.083 120.921 119.800 0.064 0.000 2.243 560 Q HA 0.187 4.527 4.340 -0.000 0.000 0.252 560 Q C 0.543 176.663 176.000 0.200 0.000 0.909 560 Q CA -0.177 55.680 55.803 0.090 0.000 0.922 560 Q CB 1.804 30.617 28.738 0.125 0.000 1.215 560 Q HN 0.942 nan 8.270 nan 0.000 0.427 561 C N 0.978 120.367 119.300 0.148 0.000 2.435 561 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 561 C C 1.279 176.484 174.990 0.359 0.000 1.321 561 C CA 0.227 59.393 59.018 0.248 0.000 1.752 561 C CB -0.501 27.356 27.740 0.194 0.000 1.959 561 C HN 0.798 nan 8.230 nan 0.000 0.500 562 E N 0.163 120.515 120.200 0.252 0.000 2.498 562 E HA 0.290 4.640 4.350 -0.000 0.000 0.252 562 E C 1.144 177.845 176.600 0.169 0.000 1.025 562 E CA 0.791 57.303 56.400 0.187 0.000 0.938 562 E CB -0.165 29.617 29.700 0.136 0.000 0.947 562 E HN 0.581 nan 8.360 nan 0.000 0.478 563 G N 4.030 112.880 108.800 0.082 0.000 2.179 563 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 563 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 563 G C 0.438 175.232 174.900 -0.177 0.000 0.990 563 G CA 0.118 45.171 45.100 -0.077 0.000 0.646 563 G HN 0.623 nan 8.290 nan 0.000 0.517 564 F N 0.313 120.106 119.950 -0.261 0.000 2.051 564 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 564 F C 2.763 178.154 175.800 -0.681 0.000 1.122 564 F CA 1.869 59.579 58.000 -0.484 0.000 1.201 564 F CB -0.312 38.414 39.000 -0.456 0.000 0.978 564 F HN 0.212 nan 8.300 nan 0.000 0.472 565 L N 0.196 121.201 121.223 -0.364 0.000 1.978 565 L HA -0.280 4.060 4.340 -0.000 0.000 0.218 565 L C 2.401 179.057 176.870 -0.357 0.000 1.075 565 L CA 1.813 56.419 54.840 -0.390 0.000 0.767 565 L CB -0.862 41.035 42.059 -0.272 0.000 0.890 565 L HN 0.088 nan 8.230 nan 0.000 0.434 566 E N -0.291 119.736 120.200 -0.288 0.000 2.160 566 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 566 E C 2.193 178.600 176.600 -0.322 0.000 0.991 566 E CA 1.175 57.425 56.400 -0.251 0.000 0.810 566 E CB -0.169 29.419 29.700 -0.186 0.000 0.742 566 E HN 0.523 nan 8.360 nan 0.000 0.466 567 K N 0.300 120.406 120.400 -0.490 0.000 2.296 567 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 567 K C 1.764 177.986 176.600 -0.631 0.000 1.048 567 K CA 0.583 56.538 56.287 -0.554 0.000 0.966 567 K CB 0.021 32.099 32.500 -0.703 0.000 0.754 567 K HN -0.059 nan 8.250 nan 0.000 0.466 568 N N 1.123 119.369 118.700 -0.756 0.000 2.415 568 N HA -0.028 4.712 4.740 -0.000 0.000 0.176 568 N C -0.413 174.952 175.510 -0.242 0.000 1.042 568 N CA 0.464 53.182 53.050 -0.553 0.000 0.902 568 N CB 0.365 38.487 38.487 -0.609 0.000 0.986 568 N HN -0.089 nan 8.380 nan 0.000 0.447 569 K N 0.735 120.998 120.400 -0.228 0.000 2.349 569 K HA 0.061 4.381 4.320 -0.000 0.000 0.288 569 K C -1.002 175.543 176.600 -0.093 0.000 1.058 569 K CA 0.151 56.356 56.287 -0.137 0.000 0.953 569 K CB 0.707 33.125 32.500 -0.137 0.000 0.997 569 K HN 0.094 nan 8.250 nan 0.000 0.477 570 D N 2.621 122.988 120.400 -0.054 0.000 2.978 570 D HA 0.046 4.686 4.640 -0.000 0.000 0.268 570 D C -1.389 174.893 176.300 -0.030 0.000 1.252 570 D CA -0.428 53.549 54.000 -0.038 0.000 0.771 570 D CB 0.502 41.291 40.800 -0.018 0.000 1.361 570 D HN 0.292 nan 8.370 nan 0.000 0.558 571 T N 0.236 114.774 114.554 -0.026 0.000 2.801 571 T HA 0.413 4.763 4.350 -0.000 0.000 0.306 571 T C -0.311 174.380 174.700 -0.014 0.000 1.020 571 T CA -0.762 61.349 62.100 0.019 0.000 0.948 571 T CB 1.554 70.463 68.868 0.068 0.000 0.962 571 T HN 0.136 nan 8.240 nan 0.000 0.465 572 V N 5.935 125.876 119.914 0.046 0.000 2.328 572 V HA 0.379 4.499 4.120 -0.000 0.000 0.278 572 V C -0.885 175.310 176.094 0.168 0.000 1.021 572 V CA -1.019 61.312 62.300 0.053 0.000 0.838 572 V CB 0.127 31.995 31.823 0.076 0.000 0.999 572 V HN 0.908 nan 8.190 nan 0.000 0.447 573 Y N 6.110 126.411 120.300 0.002 0.000 2.436 573 Y HA 0.163 4.713 4.550 -0.000 0.000 0.336 573 Y C 1.614 177.433 175.900 -0.135 0.000 1.049 573 Y CA -0.910 57.148 58.100 -0.071 0.000 1.294 573 Y CB 1.076 39.502 38.460 -0.057 0.000 1.179 573 Y HN 0.692 nan 8.280 nan 0.000 0.520 574 E N 1.743 121.892 120.200 -0.085 0.000 2.130 574 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 574 E C 1.232 177.707 176.600 -0.209 0.000 0.998 574 E CA 1.009 57.273 56.400 -0.227 0.000 0.806 574 E CB -0.065 29.457 29.700 -0.296 0.000 0.738 574 E HN 0.721 nan 8.360 nan 0.000 0.459 575 E N 0.940 120.973 120.200 -0.278 0.000 2.393 575 E HA -0.161 4.189 4.350 -0.000 0.000 0.201 575 E C 1.878 178.364 176.600 -0.190 0.000 1.025 575 E CA 0.835 56.947 56.400 -0.480 0.000 0.856 575 E CB -0.127 28.964 29.700 -1.014 0.000 0.771 575 E HN 0.565 nan 8.360 nan 0.000 0.526 576 Q N -0.620 119.178 119.800 -0.004 0.000 2.387 576 Q HA 0.166 4.506 4.340 -0.000 0.000 0.208 576 Q C 2.427 178.451 176.000 0.041 0.000 0.935 576 Q CA 0.134 56.006 55.803 0.114 0.000 0.891 576 Q CB 0.025 28.857 28.738 0.156 0.000 1.007 576 Q HN 0.240 nan 8.270 nan 0.000 0.548 577 I N 1.735 122.277 120.570 -0.047 0.000 2.264 577 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 577 I C 2.564 178.506 176.117 -0.292 0.000 1.111 577 I CA 1.318 62.488 61.300 -0.217 0.000 1.382 577 I CB -0.141 37.696 38.000 -0.272 0.000 1.060 577 I HN 0.166 nan 8.210 nan 0.000 0.418 578 K N 0.577 120.864 120.400 -0.187 0.000 2.103 578 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 578 K C 2.083 178.647 176.600 -0.059 0.000 1.052 578 K CA 0.903 57.102 56.287 -0.147 0.000 0.945 578 K CB 0.165 32.583 32.500 -0.138 0.000 0.722 578 K HN 0.099 nan 8.250 nan 0.000 0.443 579 V N 2.059 121.983 119.914 0.015 0.000 2.287 579 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 579 V C 2.281 178.394 176.094 0.032 0.000 1.053 579 V CA 1.667 64.016 62.300 0.082 0.000 1.027 579 V CB -0.406 31.525 31.823 0.180 0.000 0.646 579 V HN 0.339 nan 8.190 nan 0.000 0.447 580 L N -0.700 120.526 121.223 0.004 0.000 2.093 580 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 580 L C 1.919 178.776 176.870 -0.022 0.000 1.085 580 L CA 1.230 56.072 54.840 0.004 0.000 0.755 580 L CB -0.581 41.510 42.059 0.054 0.000 0.904 580 L HN 0.212 nan 8.230 nan 0.000 0.435 581 K N 0.571 120.912 120.400 -0.098 0.000 3.165 581 K HA 0.014 4.334 4.320 -0.000 0.000 0.270 581 K C 0.920 177.506 176.600 -0.024 0.000 1.111 581 K CA 0.501 56.753 56.287 -0.058 0.000 1.216 581 K CB 0.098 32.500 32.500 -0.165 0.000 1.229 581 K HN 0.411 nan 8.250 nan 0.000 0.435 582 S N -2.687 113.001 115.700 -0.020 0.000 3.364 582 S HA 0.036 4.506 4.470 -0.000 0.000 0.257 582 S C 0.902 175.487 174.600 -0.026 0.000 1.098 582 S CA 0.306 58.499 58.200 -0.013 0.000 0.888 582 S CB -0.386 62.815 63.200 0.000 0.000 0.925 582 S HN 0.286 nan 8.310 nan 0.000 0.442 583 S N 1.361 117.032 115.700 -0.049 0.000 2.777 583 S HA 0.362 4.832 4.470 -0.000 0.000 0.333 583 S C 0.420 174.956 174.600 -0.108 0.000 1.226 583 S CA 1.086 59.229 58.200 -0.095 0.000 1.011 583 S CB -0.569 62.524 63.200 -0.178 0.000 0.697 583 S HN 1.703 nan 8.310 nan 0.000 0.481 584 K N 0.546 120.888 120.400 -0.097 0.000 3.413 584 K HA 0.668 4.988 4.320 -0.000 0.000 0.180 584 K C 1.016 177.591 176.600 -0.042 0.000 1.038 584 K CA 0.739 56.980 56.287 -0.076 0.000 0.864 584 K CB -0.984 31.500 32.500 -0.026 0.000 0.739 584 K HN 1.269 nan 8.250 nan 0.000 0.477 585 K N 0.489 120.845 120.400 -0.073 0.000 2.155 585 K HA 0.442 4.762 4.320 -0.000 0.000 0.203 585 K C 0.540 177.283 176.600 0.239 0.000 1.052 585 K CA 1.708 58.049 56.287 0.089 0.000 0.948 585 K CB -0.607 32.005 32.500 0.188 0.000 0.728 585 K HN 1.324 nan 8.250 nan 0.000 0.448 586 F N -5.262 114.681 119.950 -0.013 0.000 2.651 586 F HA 0.523 5.050 4.527 -0.000 0.000 0.327 586 F C 0.645 176.446 175.800 0.001 0.000 1.133 586 F CA -1.042 56.954 58.000 -0.007 0.000 1.076 586 F CB 1.013 39.998 39.000 -0.025 0.000 1.315 586 F HN -0.071 nan 8.300 nan 0.000 0.499 587 K N 1.744 122.213 120.400 0.116 0.000 2.520 587 K HA 0.185 4.505 4.320 -0.000 0.000 0.197 587 K C 1.849 178.475 176.600 0.043 0.000 1.043 587 K CA 1.985 58.315 56.287 0.071 0.000 0.944 587 K CB -1.701 30.890 32.500 0.153 0.000 0.770 587 K HN 1.306 nan 8.250 nan 0.000 0.480 588 L N -0.315 120.943 121.223 0.059 0.000 2.012 588 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 588 L C 2.683 179.414 176.870 -0.231 0.000 1.073 588 L CA 2.209 56.960 54.840 -0.148 0.000 0.748 588 L CB -1.240 40.762 42.059 -0.095 0.000 0.891 588 L HN 0.465 nan 8.230 nan 0.000 0.431 589 L N -0.497 120.571 121.223 -0.258 0.000 1.994 589 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 589 L C 0.813 177.670 176.870 -0.022 0.000 1.071 589 L CA 2.469 57.193 54.840 -0.193 0.000 0.745 589 L CB -2.250 39.645 42.059 -0.274 0.000 0.892 589 L HN 0.305 nan 8.230 nan 0.000 0.431 590 P HA -0.145 nan 4.420 nan 0.000 0.220 590 P C 1.388 178.756 177.300 0.114 0.000 1.148 590 P CA 1.109 64.285 63.100 0.127 0.000 0.803 590 P CB 0.071 31.803 31.700 0.053 0.000 0.782 591 E N -0.502 119.716 120.200 0.030 0.000 2.150 591 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 591 E C 1.944 178.545 176.600 0.001 0.000 0.985 591 E CA 0.559 56.998 56.400 0.065 0.000 0.814 591 E CB -0.585 29.205 29.700 0.151 0.000 0.752 591 E HN 0.208 nan 8.360 nan 0.000 0.466 592 L N 0.233 121.321 121.223 -0.225 0.000 2.137 592 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 592 L C 0.616 177.069 176.870 -0.696 0.000 1.085 592 L CA 1.124 55.618 54.840 -0.576 0.000 0.760 592 L CB -0.407 40.998 42.059 -1.091 0.000 0.893 592 L HN 0.051 nan 8.230 nan 0.000 0.434 629 S N 1.373 117.198 115.700 0.209 0.000 2.558 629 S HA 0.271 4.741 4.470 -0.000 0.000 0.217 629 S C 2.093 176.789 174.600 0.160 0.000 0.975 629 S CA 1.424 59.816 58.200 0.320 0.000 0.912 629 S CB -0.194 63.070 63.200 0.107 0.000 0.776 629 S HN 0.894 nan 8.310 nan 0.000 0.526 630 K N 2.183 122.627 120.400 0.073 0.000 2.001 630 K HA -0.140 4.180 4.320 -0.000 0.000 0.214 630 K C 1.957 178.543 176.600 -0.023 0.000 1.050 630 K CA 1.933 58.227 56.287 0.013 0.000 0.934 630 K CB -1.560 30.936 32.500 -0.007 0.000 0.718 630 K HN 0.579 nan 8.250 nan 0.000 0.443 631 E N 0.314 120.481 120.200 -0.054 0.000 2.118 631 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 631 E C 1.964 178.476 176.600 -0.147 0.000 0.992 631 E CA 1.739 58.055 56.400 -0.140 0.000 0.804 631 E CB -0.633 28.957 29.700 -0.184 0.000 0.741 631 E HN 0.876 nan 8.360 nan 0.000 0.458 632 H N 0.044 119.090 119.070 -0.040 0.000 2.456 632 H HA -0.006 4.550 4.556 -0.000 0.000 0.296 632 H C 2.194 177.488 175.328 -0.057 0.000 1.079 632 H CA 2.187 58.198 56.048 -0.061 0.000 1.322 632 H CB -0.013 29.750 29.762 0.003 0.000 1.388 632 H HN 0.246 nan 8.280 nan 0.000 0.538 633 K N 1.444 121.884 120.400 0.068 0.000 2.361 633 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 633 K C 0.768 177.363 176.600 -0.009 0.000 1.032 633 K CA 0.073 56.384 56.287 0.040 0.000 1.048 633 K CB 0.095 32.620 32.500 0.042 0.000 0.842 633 K HN 0.169 nan 8.250 nan 0.000 0.526 634 K N 2.266 122.625 120.400 -0.068 0.000 2.485 634 K HA 0.049 4.369 4.320 -0.000 0.000 0.277 634 K C 0.484 177.071 176.600 -0.022 0.000 0.990 634 K CA 0.586 56.802 56.287 -0.118 0.000 0.994 634 K CB 0.750 33.081 32.500 -0.282 0.000 0.906 634 K HN 0.594 nan 8.250 nan 0.000 0.488 635 T N -1.969 112.621 114.554 0.061 0.000 2.849 635 T HA 0.104 4.454 4.350 -0.000 0.000 0.284 635 T C 1.596 176.383 174.700 0.145 0.000 1.004 635 T CA -0.986 61.162 62.100 0.080 0.000 1.021 635 T CB 1.037 69.951 68.868 0.077 0.000 1.013 635 T HN 0.204 nan 8.240 nan 0.000 0.527 636 V N 2.172 122.171 119.914 0.141 0.000 2.332 636 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 636 V C 2.909 179.226 176.094 0.372 0.000 1.055 636 V CA 2.415 64.864 62.300 0.248 0.000 1.038 636 V CB -1.537 30.468 31.823 0.305 0.000 0.651 636 V HN 1.130 nan 8.190 nan 0.000 0.450 637 G N -1.475 107.571 108.800 0.410 0.000 2.432 637 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 637 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 637 G C 1.558 176.659 174.900 0.334 0.000 1.135 637 G CA 0.925 46.263 45.100 0.396 0.000 0.767 637 G HN 0.555 nan 8.290 nan 0.000 0.550 638 H N 0.583 119.763 119.070 0.182 0.000 2.363 638 H HA 0.054 4.609 4.556 -0.000 0.000 0.301 638 H C 2.649 178.053 175.328 0.128 0.000 1.074 638 H CA 1.586 57.711 56.048 0.128 0.000 1.354 638 H CB -0.006 29.799 29.762 0.073 0.000 1.397 638 H HN 0.413 nan 8.280 nan 0.000 0.516 639 Q N -1.037 118.947 119.800 0.306 0.000 2.224 639 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 639 Q C 2.038 178.156 176.000 0.198 0.000 0.970 639 Q CA 1.077 56.995 55.803 0.192 0.000 0.865 639 Q CB -0.048 28.763 28.738 0.122 0.000 0.922 639 Q HN 0.346 nan 8.270 nan 0.000 0.445 640 F N 1.105 121.143 119.950 0.148 0.000 2.074 640 F HA -0.128 4.399 4.527 -0.000 0.000 0.293 640 F C 2.524 178.391 175.800 0.112 0.000 1.116 640 F CA 1.222 59.300 58.000 0.130 0.000 1.212 640 F CB 0.010 39.096 39.000 0.143 0.000 0.998 640 F HN -0.112 nan 8.300 nan 0.000 0.471 641 R N 0.847 121.608 120.500 0.436 0.000 2.119 641 R HA -0.270 4.070 4.340 -0.000 0.000 0.246 641 R C 1.757 177.997 176.300 -0.101 0.000 1.146 641 R CA 2.430 58.648 56.100 0.196 0.000 0.962 641 R CB -1.065 29.290 30.300 0.092 0.000 0.863 641 R HN 0.465 nan 8.270 nan 0.000 0.442 642 N N -0.351 118.366 118.700 0.027 0.000 2.062 642 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 642 N C 1.885 177.411 175.510 0.026 0.000 1.042 642 N CA 1.547 54.614 53.050 0.028 0.000 0.845 642 N CB -0.171 38.381 38.487 0.109 0.000 1.024 642 N HN 0.221 nan 8.380 nan 0.000 0.424 643 S N 0.995 116.693 115.700 -0.003 0.000 2.370 643 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 643 S C 1.960 176.536 174.600 -0.040 0.000 1.033 643 S CA 0.849 59.048 58.200 -0.002 0.000 1.011 643 S CB -0.372 62.780 63.200 -0.081 0.000 0.852 643 S HN 0.274 nan 8.310 nan 0.000 0.457 644 L N 1.721 122.843 121.223 -0.168 0.000 2.042 644 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 644 L C 2.222 179.091 176.870 -0.001 0.000 1.076 644 L CA 2.190 56.921 54.840 -0.181 0.000 0.749 644 L CB -1.042 40.860 42.059 -0.263 0.000 0.893 644 L HN 0.521 nan 8.230 nan 0.000 0.432 645 H N -1.965 117.054 119.070 -0.085 0.000 2.457 645 H HA -0.109 4.447 4.556 -0.000 0.000 0.294 645 H C 2.040 177.338 175.328 -0.050 0.000 1.064 645 H CA 0.912 56.931 56.048 -0.047 0.000 1.330 645 H CB 0.319 30.091 29.762 0.016 0.000 1.395 645 H HN 0.282 nan 8.280 nan 0.000 0.541 646 L N 0.683 121.968 121.223 0.102 0.000 2.056 646 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 646 L C 2.263 179.106 176.870 -0.046 0.000 1.078 646 L CA 0.962 55.856 54.840 0.090 0.000 0.749 646 L CB -0.481 41.694 42.059 0.194 0.000 0.901 646 L HN 0.183 nan 8.230 nan 0.000 0.433 647 L N -0.922 120.121 121.223 -0.301 0.000 1.976 647 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 647 L C 2.230 178.832 176.870 -0.446 0.000 1.071 647 L CA 1.920 56.285 54.840 -0.792 0.000 0.746 647 L CB -0.681 40.806 42.059 -0.952 0.000 0.890 647 L HN 0.215 nan 8.230 nan 0.000 0.432 648 M N -0.619 118.810 119.600 -0.286 0.000 2.530 648 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 648 M C 2.034 178.246 176.300 -0.146 0.000 1.067 648 M CA 1.063 56.240 55.300 -0.205 0.000 1.071 648 M CB -1.300 31.195 32.600 -0.176 0.000 1.405 648 M HN 0.418 nan 8.290 nan 0.000 0.478 649 E N 0.297 120.425 120.200 -0.120 0.000 2.046 649 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 649 E C 2.058 178.625 176.600 -0.055 0.000 0.982 649 E CA 2.107 58.471 56.400 -0.060 0.000 0.800 649 E CB 0.083 29.773 29.700 -0.016 0.000 0.756 649 E HN 0.570 nan 8.360 nan 0.000 0.449 650 T N -0.882 113.611 114.554 -0.102 0.000 2.770 650 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 650 T C 1.903 176.564 174.700 -0.064 0.000 1.039 650 T CA 0.978 63.035 62.100 -0.070 0.000 1.142 650 T CB -0.419 68.353 68.868 -0.160 0.000 0.868 650 T HN 0.091 nan 8.240 nan 0.000 0.435 651 L N 2.313 123.419 121.223 -0.195 0.000 2.012 651 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 651 L C 2.417 179.250 176.870 -0.062 0.000 1.073 651 L CA 1.704 56.448 54.840 -0.159 0.000 0.748 651 L CB -0.956 40.963 42.059 -0.233 0.000 0.891 651 L HN 0.297 nan 8.230 nan 0.000 0.431 652 N N -0.703 117.964 118.700 -0.055 0.000 2.453 652 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 652 N C 1.659 177.172 175.510 0.006 0.000 1.041 652 N CA 1.113 54.153 53.050 -0.016 0.000 0.900 652 N CB -0.105 38.368 38.487 -0.023 0.000 0.961 652 N HN 0.434 nan 8.380 nan 0.000 0.443 653 A N 0.370 123.201 122.820 0.019 0.000 2.067 653 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 653 A C 1.478 179.079 177.584 0.028 0.000 1.156 653 A CA 0.864 52.923 52.037 0.036 0.000 0.683 653 A CB -0.503 18.538 19.000 0.070 0.000 0.808 653 A HN 0.402 nan 8.150 nan 0.000 0.455 654 T N -2.876 111.704 114.554 0.044 0.000 2.770 654 T HA 0.452 4.802 4.350 -0.000 0.000 0.281 654 T C 0.065 174.742 174.700 -0.038 0.000 0.981 654 T CA -0.140 61.965 62.100 0.008 0.000 0.955 654 T CB 0.811 69.726 68.868 0.079 0.000 1.060 654 T HN 0.017 nan 8.240 nan 0.000 0.531 655 T N 3.634 118.133 114.554 -0.092 0.000 2.795 655 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 655 T C -2.475 172.036 174.700 -0.316 0.000 0.980 655 T CA -0.952 61.052 62.100 -0.160 0.000 1.012 655 T CB 1.360 70.148 68.868 -0.134 0.000 0.936 655 T HN 0.580 nan 8.240 nan 0.000 0.457 656 P HA 0.514 nan 4.420 nan 0.000 0.290 656 P C -1.346 175.621 177.300 -0.556 0.000 1.283 656 P CA -0.721 62.076 63.100 -0.506 0.000 0.869 656 P CB 1.172 32.590 31.700 -0.469 0.000 1.100 657 H N 0.746 119.523 119.070 -0.488 0.000 2.759 657 H HA 0.419 4.975 4.556 -0.000 0.000 0.354 657 H C -0.803 174.323 175.328 -0.337 0.000 1.074 657 H CA -0.310 55.571 56.048 -0.278 0.000 1.226 657 H CB 0.817 30.533 29.762 -0.076 0.000 1.648 657 H HN 0.337 nan 8.280 nan 0.000 0.529 658 Y N 1.017 121.426 120.300 0.181 0.000 2.387 658 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 658 Y C -0.034 175.920 175.900 0.091 0.000 1.067 658 Y CA -0.865 57.327 58.100 0.152 0.000 1.114 658 Y CB 1.825 40.440 38.460 0.257 0.000 1.208 658 Y HN 0.215 nan 8.280 nan 0.000 0.458 659 V N 4.546 124.575 119.914 0.193 0.000 2.532 659 V HA 0.422 4.542 4.120 -0.000 0.000 0.294 659 V C -0.257 175.884 176.094 0.079 0.000 1.036 659 V CA -1.189 61.179 62.300 0.112 0.000 0.876 659 V CB 1.054 32.920 31.823 0.071 0.000 1.012 659 V HN 0.750 nan 8.190 nan 0.000 0.432 660 R N 1.681 122.217 120.500 0.060 0.000 2.611 660 R HA 0.745 5.085 4.340 -0.000 0.000 0.243 660 R C -0.531 175.757 176.300 -0.021 0.000 1.260 660 R CA -0.513 55.600 56.100 0.022 0.000 1.095 660 R CB 0.552 30.863 30.300 0.018 0.000 1.259 660 R HN 0.619 nan 8.270 nan 0.000 0.575 661 C N 0.778 120.051 119.300 -0.044 0.000 3.181 661 C HA 0.301 4.761 4.460 -0.000 0.000 0.414 661 C C -0.715 174.223 174.990 -0.086 0.000 1.016 661 C CA -0.870 58.100 59.018 -0.080 0.000 1.287 661 C CB -0.054 27.651 27.740 -0.058 0.000 1.665 661 C HN 0.833 nan 8.230 nan 0.000 0.549 662 I N 1.381 121.871 120.570 -0.135 0.000 2.689 662 I HA 0.686 4.856 4.170 -0.000 0.000 0.299 662 I C -0.767 175.237 176.117 -0.189 0.000 1.059 662 I CA -0.524 60.689 61.300 -0.144 0.000 1.055 662 I CB 1.632 39.540 38.000 -0.153 0.000 1.243 662 I HN 0.505 nan 8.210 nan 0.000 0.425 663 K N 7.145 127.458 120.400 -0.146 0.000 2.276 663 K HA 0.372 4.692 4.320 -0.000 0.000 0.285 663 K C -1.876 174.606 176.600 -0.198 0.000 1.062 663 K CA -1.499 54.717 56.287 -0.118 0.000 0.918 663 K CB 1.246 33.727 32.500 -0.032 0.000 1.055 663 K HN 0.493 nan 8.250 nan 0.000 0.477 664 P HA -0.100 nan 4.420 nan 0.000 0.231 664 P C -0.859 176.333 177.300 -0.179 0.000 1.168 664 P CA 0.836 63.708 63.100 -0.380 0.000 0.779 664 P CB 0.214 31.662 31.700 -0.420 0.000 0.844 665 N N -1.245 117.446 118.700 -0.016 0.000 2.504 665 N HA 0.069 4.809 4.740 -0.000 0.000 0.268 665 N C -0.400 175.005 175.510 -0.175 0.000 1.184 665 N CA -0.459 52.581 53.050 -0.016 0.000 0.875 665 N CB 0.833 39.432 38.487 0.186 0.000 1.630 665 N HN -0.396 nan 8.380 nan 0.000 0.486 666 D N 0.599 120.724 120.400 -0.460 0.000 2.149 666 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 666 D C 0.333 176.134 176.300 -0.830 0.000 0.990 666 D CA 1.644 55.162 54.000 -0.803 0.000 0.839 666 D CB -0.068 39.952 40.800 -1.301 0.000 0.948 666 D HN 0.522 nan 8.370 nan 0.000 0.460 667 F N 0.224 119.904 119.950 -0.451 0.000 2.925 667 F HA 0.311 4.838 4.527 -0.000 0.000 0.302 667 F C 0.690 176.022 175.800 -0.781 0.000 1.189 667 F CA -0.581 57.000 58.000 -0.698 0.000 1.346 667 F CB -0.163 38.150 39.000 -1.146 0.000 0.954 667 F HN -0.343 nan 8.300 nan 0.000 0.506 668 K N -0.468 119.546 120.400 -0.644 0.000 2.914 668 K HA -0.242 4.078 4.320 -0.000 0.000 0.253 668 K C -0.170 176.091 176.600 -0.564 0.000 0.986 668 K CA 0.256 55.850 56.287 -1.154 0.000 0.730 668 K CB -1.472 30.567 32.500 -0.768 0.000 1.228 668 K HN 0.193 nan 8.250 nan 0.000 0.483 669 F N 0.543 120.416 119.950 -0.129 0.000 2.539 669 F HA 0.134 4.661 4.527 -0.000 0.000 0.340 669 F C -1.347 174.576 175.800 0.205 0.000 1.185 669 F CA -2.205 55.839 58.000 0.073 0.000 1.333 669 F CB -0.344 38.749 39.000 0.156 0.000 1.152 669 F HN -0.109 nan 8.300 nan 0.000 0.602 670 P HA 0.095 nan 4.420 nan 0.000 0.274 670 P C -0.447 177.072 177.300 0.364 0.000 1.237 670 P CA -0.508 62.809 63.100 0.361 0.000 0.793 670 P CB 0.218 32.092 31.700 0.290 0.000 0.977 671 F N -0.431 119.608 119.950 0.147 0.000 2.245 671 F HA -0.189 4.338 4.527 -0.000 0.000 0.133 671 F C 0.263 176.166 175.800 0.171 0.000 1.114 671 F CA 1.196 59.166 58.000 -0.050 0.000 0.732 671 F CB -1.743 37.056 39.000 -0.336 0.000 0.559 671 F HN 0.057 nan 8.300 nan 0.000 0.788 672 T N 1.455 116.313 114.554 0.506 0.000 2.791 672 T HA 0.350 4.700 4.350 -0.000 0.000 0.288 672 T C -0.629 174.402 174.700 0.552 0.000 0.999 672 T CA -0.496 61.894 62.100 0.484 0.000 0.952 672 T CB 0.750 69.887 68.868 0.449 0.000 0.938 672 T HN 0.101 nan 8.240 nan 0.000 0.444 673 F N 3.203 123.388 119.950 0.391 0.000 2.391 673 F HA 0.401 4.928 4.527 -0.000 0.000 0.359 673 F C 0.106 176.027 175.800 0.202 0.000 1.122 673 F CA -0.935 57.242 58.000 0.296 0.000 1.120 673 F CB 0.729 39.921 39.000 0.320 0.000 1.142 673 F HN 0.425 nan 8.300 nan 0.000 0.483 674 D N 4.298 124.685 120.400 -0.022 0.000 2.329 674 D HA 0.181 4.821 4.640 -0.000 0.000 0.232 674 D C 0.709 176.976 176.300 -0.055 0.000 1.088 674 D CA -0.183 53.837 54.000 0.034 0.000 0.835 674 D CB 1.233 42.045 40.800 0.021 0.000 1.078 674 D HN 0.533 nan 8.370 nan 0.000 0.495 675 E N 2.677 122.963 120.200 0.144 0.000 2.153 675 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 675 E C 2.082 178.725 176.600 0.072 0.000 0.988 675 E CA 1.863 58.372 56.400 0.183 0.000 0.811 675 E CB -0.181 29.661 29.700 0.237 0.000 0.746 675 E HN 0.523 nan 8.360 nan 0.000 0.466 676 K N 1.075 121.496 120.400 0.035 0.000 2.062 676 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 676 K C 2.062 178.644 176.600 -0.030 0.000 1.051 676 K CA 1.495 57.785 56.287 0.006 0.000 0.941 676 K CB -0.697 31.805 32.500 0.003 0.000 0.719 676 K HN 0.094 nan 8.250 nan 0.000 0.440 677 R N -0.182 120.278 120.500 -0.068 0.000 2.323 677 R HA 0.211 4.551 4.340 -0.000 0.000 0.198 677 R C 1.936 178.148 176.300 -0.148 0.000 0.988 677 R CA 1.064 57.101 56.100 -0.105 0.000 1.041 677 R CB -0.188 30.032 30.300 -0.132 0.000 0.926 677 R HN 0.421 nan 8.270 nan 0.000 0.476 678 A N -0.652 122.071 122.820 -0.162 0.000 1.993 678 A HA 0.109 4.429 4.320 -0.000 0.000 0.207 678 A C 1.896 179.449 177.584 -0.050 0.000 1.224 678 A CA 0.321 52.238 52.037 -0.201 0.000 0.749 678 A CB -0.034 18.740 19.000 -0.377 0.000 0.884 678 A HN 0.152 nan 8.150 nan 0.000 0.467 679 V N 0.685 120.605 119.914 0.011 0.000 2.332 679 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 679 V C 2.735 178.836 176.094 0.012 0.000 1.055 679 V CA 2.311 64.639 62.300 0.046 0.000 1.038 679 V CB -0.740 31.133 31.823 0.083 0.000 0.651 679 V HN 0.692 nan 8.190 nan 0.000 0.450 680 Q N -0.298 119.496 119.800 -0.010 0.000 2.050 680 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 680 Q C 2.332 178.328 176.000 -0.007 0.000 0.980 680 Q CA 1.736 57.532 55.803 -0.011 0.000 0.840 680 Q CB -0.106 28.619 28.738 -0.022 0.000 0.898 680 Q HN 0.671 nan 8.270 nan 0.000 0.424 681 Q N -0.026 119.758 119.800 -0.027 0.000 2.172 681 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 681 Q C 2.331 178.330 176.000 -0.002 0.000 0.964 681 Q CA 0.764 56.556 55.803 -0.019 0.000 0.855 681 Q CB 0.040 28.742 28.738 -0.059 0.000 0.918 681 Q HN 0.408 nan 8.270 nan 0.000 0.444 682 L N 0.054 121.273 121.223 -0.006 0.000 2.044 682 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 682 L C 2.736 179.613 176.870 0.011 0.000 1.075 682 L CA 0.978 55.821 54.840 0.006 0.000 0.747 682 L CB -0.427 41.640 42.059 0.013 0.000 0.903 682 L HN 0.140 nan 8.230 nan 0.000 0.435 683 R N 0.329 120.831 120.500 0.002 0.000 2.094 683 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 683 R C 2.260 178.565 176.300 0.009 0.000 1.137 683 R CA 1.908 57.998 56.100 -0.018 0.000 0.943 683 R CB -0.359 29.923 30.300 -0.030 0.000 0.850 683 R HN 0.372 nan 8.270 nan 0.000 0.433 684 A N -0.425 122.421 122.820 0.044 0.000 2.019 684 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 684 A C 2.148 179.861 177.584 0.216 0.000 1.164 684 A CA 1.388 53.498 52.037 0.122 0.000 0.644 684 A CB -0.480 18.586 19.000 0.109 0.000 0.805 684 A HN 0.582 nan 8.150 nan 0.000 0.449 685 C N -1.502 117.878 119.300 0.132 0.000 2.626 685 C HA 0.426 4.886 4.460 -0.000 0.000 0.266 685 C C 2.148 177.214 174.990 0.127 0.000 1.317 685 C CA 0.363 59.452 59.018 0.118 0.000 1.716 685 C CB -1.067 26.700 27.740 0.046 0.000 1.819 685 C HN 0.980 nan 8.230 nan 0.000 0.578 686 G N 0.263 109.161 108.800 0.162 0.000 2.253 686 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 686 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 686 G C 0.882 175.817 174.900 0.059 0.000 0.998 686 G CA 0.571 45.768 45.100 0.162 0.000 0.621 686 G HN 0.261 nan 8.290 nan 0.000 0.524 687 V N 0.813 120.742 119.914 0.026 0.000 2.231 687 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 687 V C 2.878 178.978 176.094 0.009 0.000 1.058 687 V CA 2.673 64.986 62.300 0.021 0.000 1.022 687 V CB -0.616 31.221 31.823 0.023 0.000 0.640 687 V HN 0.393 nan 8.190 nan 0.000 0.445 688 L N -0.275 120.939 121.223 -0.015 0.000 2.081 688 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 688 L C 2.451 179.273 176.870 -0.079 0.000 1.080 688 L CA 2.227 57.044 54.840 -0.039 0.000 0.754 688 L CB -0.881 41.151 42.059 -0.044 0.000 0.893 688 L HN 0.469 nan 8.230 nan 0.000 0.433 689 E N -1.121 118.990 120.200 -0.148 0.000 2.072 689 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 689 E C 2.062 178.588 176.600 -0.123 0.000 0.982 689 E CA 1.610 57.828 56.400 -0.302 0.000 0.803 689 E CB -0.213 28.998 29.700 -0.816 0.000 0.755 689 E HN 0.411 nan 8.360 nan 0.000 0.453 690 T N 1.767 116.353 114.554 0.054 0.000 2.653 690 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 690 T C 1.723 176.482 174.700 0.098 0.000 1.035 690 T CA 1.584 63.772 62.100 0.146 0.000 1.154 690 T CB -0.261 68.703 68.868 0.160 0.000 0.862 690 T HN 0.119 nan 8.240 nan 0.000 0.441 691 I N 1.086 121.689 120.570 0.055 0.000 2.163 691 I HA -0.140 4.030 4.170 -0.000 0.000 0.243 691 I C 2.629 178.769 176.117 0.038 0.000 1.085 691 I CA 1.444 62.771 61.300 0.044 0.000 1.347 691 I CB -1.033 36.976 38.000 0.014 0.000 1.044 691 I HN 0.230 nan 8.210 nan 0.000 0.408 692 R N 0.500 121.005 120.500 0.010 0.000 2.120 692 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 692 R C 2.226 178.550 176.300 0.039 0.000 1.123 692 R CA 1.070 57.178 56.100 0.014 0.000 0.975 692 R CB 0.038 30.325 30.300 -0.020 0.000 0.866 692 R HN 0.233 nan 8.270 nan 0.000 0.446 693 I N 0.927 121.528 120.570 0.051 0.000 2.099 693 I HA -0.276 3.894 4.170 -0.000 0.000 0.239 693 I C 2.422 178.607 176.117 0.114 0.000 1.066 693 I CA 1.838 63.200 61.300 0.102 0.000 1.324 693 I CB -1.483 36.601 38.000 0.139 0.000 1.037 693 I HN 0.230 nan 8.210 nan 0.000 0.401 694 S N 1.400 117.171 115.700 0.117 0.000 2.442 694 S HA -0.074 4.396 4.470 -0.000 0.000 0.236 694 S C 2.089 176.743 174.600 0.091 0.000 1.007 694 S CA 0.925 59.197 58.200 0.121 0.000 0.965 694 S CB -0.562 62.714 63.200 0.127 0.000 0.773 694 S HN 0.423 nan 8.310 nan 0.000 0.504 695 A N 1.367 124.229 122.820 0.070 0.000 2.066 695 A HA 0.537 4.857 4.320 -0.000 0.000 0.218 695 A C 2.307 179.905 177.584 0.024 0.000 1.157 695 A CA 1.035 53.103 52.037 0.053 0.000 0.670 695 A CB -0.973 18.061 19.000 0.058 0.000 0.804 695 A HN 0.813 nan 8.150 nan 0.000 0.453 696 A N -0.600 122.235 122.820 0.025 0.000 2.206 696 A HA 0.411 4.731 4.320 -0.000 0.000 0.211 696 A C 1.682 179.219 177.584 -0.078 0.000 1.158 696 A CA 1.162 53.194 52.037 -0.009 0.000 0.761 696 A CB -0.606 18.411 19.000 0.028 0.000 0.801 696 A HN 0.573 nan 8.150 nan 0.000 0.473 697 G N -1.144 107.625 108.800 -0.052 0.000 3.372 697 G HA2 0.434 4.394 3.960 -0.000 0.000 0.178 697 G HA3 0.434 4.394 3.960 -0.000 0.000 0.178 697 G C -0.334 174.337 174.900 -0.383 0.000 1.817 697 G CA -0.250 44.792 45.100 -0.097 0.000 0.996 697 G HN 0.221 nan 8.290 nan 0.000 0.559 698 F N 1.363 121.415 119.950 0.171 0.000 2.646 698 F HA 0.342 4.869 4.527 -0.000 0.000 0.336 698 F C -1.595 174.318 175.800 0.188 0.000 1.437 698 F CA -1.410 56.718 58.000 0.213 0.000 1.142 698 F CB 2.242 41.438 39.000 0.327 0.000 1.530 698 F HN 0.142 nan 8.300 nan 0.000 0.591 699 P HA -0.104 nan 4.420 nan 0.000 0.220 699 P C 0.672 178.071 177.300 0.165 0.000 1.148 699 P CA 0.914 64.121 63.100 0.179 0.000 0.803 699 P CB 0.345 32.124 31.700 0.132 0.000 0.782 700 S N 0.308 116.138 115.700 0.216 0.000 2.422 700 S HA 0.462 4.932 4.470 -0.000 0.000 0.298 700 S C -0.247 174.510 174.600 0.261 0.000 1.118 700 S CA -0.664 57.705 58.200 0.281 0.000 1.083 700 S CB 0.255 63.649 63.200 0.323 0.000 0.971 700 S HN -0.116 nan 8.310 nan 0.000 0.478 701 R N 3.541 124.149 120.500 0.180 0.000 2.412 701 R HA 0.415 4.755 4.340 -0.000 0.000 0.304 701 R C -1.798 174.560 176.300 0.097 0.000 1.066 701 R CA -0.228 55.785 56.100 -0.145 0.000 0.923 701 R CB 0.903 30.898 30.300 -0.507 0.000 1.156 701 R HN 0.618 nan 8.270 nan 0.000 0.513 702 W N 2.171 123.401 121.300 -0.116 0.000 2.529 702 W HA 0.291 4.951 4.660 -0.000 0.000 0.321 702 W C 0.405 176.882 176.519 -0.071 0.000 1.047 702 W CA -0.830 56.524 57.345 0.015 0.000 1.216 702 W CB 1.763 31.370 29.460 0.246 0.000 1.357 702 W HN 0.450 nan 8.180 nan 0.000 0.489 703 T N -0.410 114.208 114.554 0.108 0.000 2.903 703 T HA -0.022 4.328 4.350 -0.000 0.000 0.314 703 T C 0.798 175.614 174.700 0.192 0.000 1.078 703 T CA 0.126 62.286 62.100 0.100 0.000 1.114 703 T CB 0.616 69.547 68.868 0.106 0.000 0.987 703 T HN 0.404 nan 8.240 nan 0.000 0.548 704 Y N 0.770 121.218 120.300 0.247 0.000 2.207 704 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 704 Y C 2.924 179.036 175.900 0.353 0.000 1.156 704 Y CA 1.650 59.925 58.100 0.291 0.000 1.182 704 Y CB -0.503 38.053 38.460 0.161 0.000 0.979 704 Y HN 0.625 nan 8.280 nan 0.000 0.521 705 Q N 0.768 120.803 119.800 0.391 0.000 2.224 705 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 705 Q C 1.638 177.821 176.000 0.305 0.000 0.970 705 Q CA 1.654 57.643 55.803 0.310 0.000 0.865 705 Q CB -0.151 28.701 28.738 0.190 0.000 0.922 705 Q HN 0.544 nan 8.270 nan 0.000 0.445 706 E N -1.292 119.083 120.200 0.292 0.000 2.107 706 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 706 E C 1.407 178.322 176.600 0.526 0.000 0.982 706 E CA 0.790 57.343 56.400 0.255 0.000 0.809 706 E CB -0.155 29.556 29.700 0.019 0.000 0.756 706 E HN 0.370 nan 8.360 nan 0.000 0.459 707 F N -0.024 120.248 119.950 0.537 0.000 2.186 707 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 707 F C 1.842 177.874 175.800 0.386 0.000 1.090 707 F CA 1.026 59.348 58.000 0.537 0.000 1.307 707 F CB -0.057 39.232 39.000 0.482 0.000 1.019 707 F HN -0.016 nan 8.300 nan 0.000 0.489 708 F N 0.007 120.160 119.950 0.339 0.000 2.187 708 F HA -0.057 4.470 4.527 -0.000 0.000 0.295 708 F C 2.800 178.631 175.800 0.051 0.000 1.091 708 F CA 1.401 59.518 58.000 0.194 0.000 1.308 708 F CB -0.894 38.241 39.000 0.225 0.000 1.030 708 F HN 0.037 nan 8.300 nan 0.000 0.487 709 S N 0.105 115.870 115.700 0.109 0.000 2.368 709 S HA -0.263 4.207 4.470 -0.000 0.000 0.225 709 S C 2.290 176.764 174.600 -0.211 0.000 1.030 709 S CA 1.550 59.729 58.200 -0.035 0.000 0.999 709 S CB -0.438 62.788 63.200 0.044 0.000 0.844 709 S HN 0.449 nan 8.310 nan 0.000 0.459 710 R N -0.584 119.752 120.500 -0.273 0.000 2.093 710 R HA 0.159 4.499 4.340 -0.000 0.000 0.224 710 R C 0.756 176.629 176.300 -0.712 0.000 1.101 710 R CA 1.401 57.181 56.100 -0.534 0.000 0.979 710 R CB -0.252 29.618 30.300 -0.717 0.000 0.877 710 R HN 0.659 nan 8.270 nan 0.000 0.441 711 Y N -0.555 119.483 120.300 -0.435 0.000 2.682 711 Y HA 0.205 4.755 4.550 -0.000 0.000 0.251 711 Y C 1.170 176.814 175.900 -0.428 0.000 1.172 711 Y CA -0.583 57.219 58.100 -0.496 0.000 1.186 711 Y CB 0.549 38.520 38.460 -0.815 0.000 1.216 711 Y HN 0.039 nan 8.280 nan 0.000 0.540 712 R N -0.451 119.792 120.500 -0.428 0.000 2.148 712 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 712 R C 1.789 177.954 176.300 -0.224 0.000 1.103 712 R CA 1.362 57.169 56.100 -0.488 0.000 0.983 712 R CB -1.175 28.486 30.300 -1.064 0.000 0.874 712 R HN 0.262 nan 8.270 nan 0.000 0.451 713 V N 0.637 120.441 119.914 -0.182 0.000 2.380 713 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 713 V C 1.569 177.622 176.094 -0.068 0.000 1.063 713 V CA 1.679 63.917 62.300 -0.104 0.000 1.055 713 V CB -0.294 31.473 31.823 -0.093 0.000 0.657 713 V HN 0.387 nan 8.190 nan 0.000 0.455 714 L N -0.317 120.869 121.223 -0.062 0.000 2.551 714 L HA 0.207 4.547 4.340 -0.000 0.000 0.228 714 L C 1.080 177.939 176.870 -0.018 0.000 1.153 714 L CA 1.112 55.923 54.840 -0.049 0.000 0.851 714 L CB -0.793 41.221 42.059 -0.075 0.000 0.959 714 L HN 0.369 nan 8.230 nan 0.000 0.451 715 M N 0.032 119.627 119.600 -0.008 0.000 2.300 715 M HA 0.325 4.805 4.480 -0.000 0.000 0.348 715 M C 0.752 177.074 176.300 0.036 0.000 1.151 715 M CA -0.356 54.967 55.300 0.039 0.000 1.046 715 M CB 0.723 33.371 32.600 0.080 0.000 1.647 715 M HN -0.070 nan 8.290 nan 0.000 0.451 716 K N 1.971 122.399 120.400 0.047 0.000 2.472 716 K HA 0.023 4.343 4.320 -0.000 0.000 0.280 716 K C 0.579 177.213 176.600 0.056 0.000 1.028 716 K CA 0.035 56.347 56.287 0.042 0.000 1.045 716 K CB 0.007 32.532 32.500 0.042 0.000 0.902 716 K HN 0.752 nan 8.250 nan 0.000 0.478 717 Q N 0.983 120.811 119.800 0.046 0.000 2.291 717 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 717 Q C 1.432 177.469 176.000 0.062 0.000 0.970 717 Q CA 0.948 56.786 55.803 0.059 0.000 0.876 717 Q CB 0.255 29.018 28.738 0.043 0.000 0.935 717 Q HN 0.673 nan 8.270 nan 0.000 0.455 718 K N 0.800 121.229 120.400 0.049 0.000 2.147 718 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 718 K C 1.037 177.668 176.600 0.052 0.000 1.049 718 K CA 0.876 57.190 56.287 0.044 0.000 0.936 718 K CB 0.061 32.582 32.500 0.035 0.000 0.722 718 K HN 0.174 nan 8.250 nan 0.000 0.446 719 D N 0.562 121.002 120.400 0.065 0.000 2.349 719 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 719 D C -0.047 176.309 176.300 0.093 0.000 1.029 719 D CA 0.180 54.223 54.000 0.072 0.000 0.879 719 D CB 0.251 41.098 40.800 0.078 0.000 0.906 719 D HN -0.149 nan 8.370 nan 0.000 0.528 720 V N 1.569 121.549 119.914 0.110 0.000 2.546 720 V HA 0.287 4.407 4.120 -0.000 0.000 0.284 720 V C 0.437 176.570 176.094 0.064 0.000 1.050 720 V CA -0.419 61.970 62.300 0.148 0.000 0.981 720 V CB 1.742 33.704 31.823 0.232 0.000 0.990 720 V HN -0.054 nan 8.190 nan 0.000 0.474 721 L N 2.769 123.993 121.223 0.001 0.000 2.333 721 L HA 0.560 4.900 4.340 -0.000 0.000 0.263 721 L C 1.399 178.191 176.870 -0.129 0.000 1.014 721 L CA -0.398 54.409 54.840 -0.054 0.000 0.820 721 L CB 1.899 43.920 42.059 -0.063 0.000 1.352 721 L HN 0.705 nan 8.230 nan 0.000 0.421 722 S N -0.290 115.351 115.700 -0.098 0.000 2.555 722 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 722 S C 0.650 175.160 174.600 -0.150 0.000 0.978 722 S CA 0.718 58.848 58.200 -0.117 0.000 0.934 722 S CB -0.298 62.864 63.200 -0.065 0.000 0.766 722 S HN 0.652 nan 8.310 nan 0.000 0.533 723 D N 0.636 120.944 120.400 -0.154 0.000 2.456 723 D HA 0.306 4.946 4.640 -0.000 0.000 0.219 723 D C 1.083 177.249 176.300 -0.225 0.000 1.126 723 D CA -0.571 53.331 54.000 -0.164 0.000 0.890 723 D CB 0.528 41.251 40.800 -0.129 0.000 1.025 723 D HN -0.068 nan 8.370 nan 0.000 0.511 724 R N 3.109 123.444 120.500 -0.275 0.000 2.092 724 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 724 R C 1.796 178.013 176.300 -0.139 0.000 1.119 724 R CA 0.879 56.785 56.100 -0.322 0.000 0.970 724 R CB -0.557 29.576 30.300 -0.278 0.000 0.864 724 R HN 0.459 nan 8.270 nan 0.000 0.440 725 K N 0.787 121.044 120.400 -0.237 0.000 2.002 725 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 725 K C 2.087 178.436 176.600 -0.417 0.000 1.048 725 K CA 1.708 57.657 56.287 -0.565 0.000 0.930 725 K CB -0.056 31.997 32.500 -0.745 0.000 0.714 725 K HN -0.075 nan 8.250 nan 0.000 0.438 726 Q N 0.355 119.982 119.800 -0.289 0.000 2.234 726 Q HA -0.114 4.225 4.340 -0.000 0.000 0.206 726 Q C 1.544 177.464 176.000 -0.133 0.000 0.980 726 Q CA 2.149 57.824 55.803 -0.213 0.000 0.869 726 Q CB -0.274 28.371 28.738 -0.155 0.000 0.912 726 Q HN 0.409 nan 8.270 nan 0.000 0.436 727 T N -0.597 113.910 114.554 -0.079 0.000 2.668 727 T HA -0.175 4.175 4.350 -0.000 0.000 0.262 727 T C 1.871 176.640 174.700 0.114 0.000 1.045 727 T CA 1.254 63.374 62.100 0.034 0.000 1.152 727 T CB -0.846 68.056 68.868 0.057 0.000 0.864 727 T HN 0.411 nan 8.240 nan 0.000 0.419 728 C N 1.537 120.954 119.300 0.194 0.000 2.299 728 C HA -0.215 4.245 4.460 -0.000 0.000 0.274 728 C C 2.686 177.648 174.990 -0.046 0.000 1.152 728 C CA 1.129 60.273 59.018 0.210 0.000 1.787 728 C CB -1.060 26.882 27.740 0.336 0.000 1.958 728 C HN 0.605 nan 8.230 nan 0.000 0.424 729 K N 0.407 120.577 120.400 -0.384 0.000 2.097 729 K HA -0.232 4.088 4.320 -0.000 0.000 0.214 729 K C 1.645 178.131 176.600 -0.190 0.000 1.052 729 K CA 2.244 58.108 56.287 -0.705 0.000 0.932 729 K CB -0.347 31.782 32.500 -0.618 0.000 0.716 729 K HN 0.506 nan 8.250 nan 0.000 0.455 730 N N -0.123 118.532 118.700 -0.075 0.000 2.188 730 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 730 N C 1.704 177.266 175.510 0.087 0.000 1.018 730 N CA 0.987 54.049 53.050 0.020 0.000 0.858 730 N CB -0.068 38.431 38.487 0.020 0.000 0.989 730 N HN 0.001 nan 8.380 nan 0.000 0.426 731 V N 0.188 120.174 119.914 0.119 0.000 2.788 731 V HA 0.069 4.189 4.120 -0.000 0.000 0.241 731 V C 2.001 178.190 176.094 0.159 0.000 1.083 731 V CA 0.137 62.526 62.300 0.149 0.000 1.103 731 V CB -0.153 31.783 31.823 0.190 0.000 0.800 731 V HN 0.087 nan 8.190 nan 0.000 0.476 732 L N 0.820 122.150 121.223 0.178 0.000 2.129 732 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 732 L C 2.222 179.102 176.870 0.017 0.000 1.087 732 L CA 2.166 57.057 54.840 0.085 0.000 0.757 732 L CB -0.657 41.392 42.059 -0.017 0.000 0.896 732 L HN 0.422 nan 8.230 nan 0.000 0.434 733 E N -0.641 119.656 120.200 0.163 0.000 2.171 733 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 733 E C 2.170 178.864 176.600 0.157 0.000 0.997 733 E CA 1.851 58.391 56.400 0.233 0.000 0.810 733 E CB -0.006 29.844 29.700 0.251 0.000 0.738 733 E HN 0.602 nan 8.360 nan 0.000 0.467 734 K N 0.074 120.548 120.400 0.122 0.000 2.243 734 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 734 K C 1.756 178.410 176.600 0.090 0.000 1.051 734 K CA 0.825 57.172 56.287 0.099 0.000 0.970 734 K CB -0.356 32.197 32.500 0.088 0.000 0.755 734 K HN 0.093 nan 8.250 nan 0.000 0.465 735 L N -0.083 121.191 121.223 0.086 0.000 2.130 735 L HA 0.216 4.556 4.340 -0.000 0.000 0.200 735 L C 0.500 177.455 176.870 0.143 0.000 1.075 735 L CA 0.091 54.985 54.840 0.090 0.000 0.768 735 L CB -0.077 42.008 42.059 0.043 0.000 0.933 735 L HN 0.133 nan 8.230 nan 0.000 0.451 736 I N 1.885 122.507 120.570 0.087 0.000 2.301 736 I HA 0.038 4.208 4.170 -0.000 0.000 0.292 736 I C 1.526 177.721 176.117 0.130 0.000 1.046 736 I CA 0.000 61.345 61.300 0.075 0.000 1.282 736 I CB 0.718 38.760 38.000 0.070 0.000 1.409 736 I HN -0.003 nan 8.210 nan 0.000 0.484 737 L N 5.029 126.302 121.223 0.084 0.000 2.201 737 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 737 L C 0.879 177.813 176.870 0.107 0.000 1.105 737 L CA 1.566 56.461 54.840 0.092 0.000 0.775 737 L CB -0.694 41.397 42.059 0.053 0.000 0.913 737 L HN 0.607 nan 8.230 nan 0.000 0.440 738 D N -0.554 119.908 120.400 0.104 0.000 2.317 738 D HA 0.482 5.122 4.640 -0.000 0.000 0.234 738 D C 1.207 177.550 176.300 0.073 0.000 1.112 738 D CA 0.424 54.465 54.000 0.069 0.000 0.840 738 D CB 1.544 42.359 40.800 0.025 0.000 1.078 738 D HN 0.306 nan 8.370 nan 0.000 0.486 739 K N 3.077 123.455 120.400 -0.036 0.000 2.296 739 K HA -0.094 4.226 4.320 -0.000 0.000 0.200 739 K C 1.319 177.680 176.600 -0.397 0.000 1.048 739 K CA 1.353 57.468 56.287 -0.287 0.000 0.966 739 K CB -0.527 31.863 32.500 -0.183 0.000 0.754 739 K HN 0.664 nan 8.250 nan 0.000 0.466 740 D N 0.548 120.854 120.400 -0.157 0.000 2.348 740 D HA -0.125 4.515 4.640 -0.000 0.000 0.216 740 D C 1.048 177.354 176.300 0.010 0.000 0.970 740 D CA 0.642 54.596 54.000 -0.076 0.000 0.889 740 D CB 0.089 40.875 40.800 -0.024 0.000 0.912 740 D HN 0.309 nan 8.370 nan 0.000 0.524 741 K N -0.081 120.334 120.400 0.025 0.000 2.486 741 K HA -0.015 4.305 4.320 -0.000 0.000 0.194 741 K C 0.099 176.931 176.600 0.386 0.000 1.033 741 K CA 0.218 56.609 56.287 0.174 0.000 1.004 741 K CB -0.050 32.558 32.500 0.180 0.000 0.798 741 K HN 0.480 nan 8.250 nan 0.000 0.495 742 Y N -3.570 116.823 120.300 0.155 0.000 2.592 742 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 742 Y C -0.877 174.826 175.900 -0.329 0.000 1.136 742 Y CA -1.325 56.749 58.100 -0.043 0.000 1.042 742 Y CB 0.592 38.935 38.460 -0.195 0.000 1.325 742 Y HN -0.163 nan 8.280 nan 0.000 0.457 743 Q N 1.882 121.401 119.800 -0.468 0.000 2.397 743 Q HA 0.772 5.112 4.340 -0.000 0.000 0.275 743 Q C -2.341 173.381 176.000 -0.462 0.000 1.090 743 Q CA -0.810 54.643 55.803 -0.583 0.000 0.809 743 Q CB 2.420 30.741 28.738 -0.695 0.000 1.362 743 Q HN 0.601 nan 8.270 nan 0.000 0.431 744 F N 1.019 120.935 119.950 -0.056 0.000 2.420 744 F HA 0.734 5.261 4.527 -0.000 0.000 0.342 744 F C 1.076 176.900 175.800 0.039 0.000 1.113 744 F CA -0.487 57.544 58.000 0.051 0.000 1.059 744 F CB 2.081 41.163 39.000 0.137 0.000 1.128 744 F HN 0.814 nan 8.300 nan 0.000 0.475 745 G N 0.853 109.864 108.800 0.352 0.000 3.008 745 G HA2 0.534 4.494 3.960 -0.000 0.000 0.181 745 G HA3 0.534 4.494 3.960 -0.000 0.000 0.181 745 G C 0.587 175.680 174.900 0.322 0.000 1.309 745 G CA 0.052 45.295 45.100 0.238 0.000 1.009 745 G HN 0.651 nan 8.290 nan 0.000 0.584 746 K N -1.511 119.038 120.400 0.249 0.000 2.121 746 K HA 0.186 4.506 4.320 -0.000 0.000 0.203 746 K C 2.415 179.178 176.600 0.272 0.000 1.041 746 K CA 2.051 58.452 56.287 0.190 0.000 0.969 746 K CB -1.003 31.562 32.500 0.108 0.000 0.799 746 K HN 0.896 nan 8.250 nan 0.000 0.456 747 T N -2.214 112.510 114.554 0.284 0.000 3.001 747 T HA 0.332 4.682 4.350 -0.000 0.000 0.251 747 T C 0.455 175.325 174.700 0.282 0.000 1.040 747 T CA -0.028 62.252 62.100 0.299 0.000 0.985 747 T CB 0.160 69.131 68.868 0.173 0.000 1.011 747 T HN 0.267 nan 8.240 nan 0.000 0.509 748 K N 0.907 121.429 120.400 0.203 0.000 2.426 748 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 748 K C -0.889 175.640 176.600 -0.119 0.000 0.941 748 K CA -0.907 55.365 56.287 -0.024 0.000 0.808 748 K CB 2.412 34.914 32.500 0.004 0.000 1.265 748 K HN 0.199 nan 8.250 nan 0.000 0.432 749 I N 1.539 121.908 120.570 -0.335 0.000 2.428 749 I HA 0.371 4.541 4.170 -0.000 0.000 0.296 749 I C -0.596 175.311 176.117 -0.351 0.000 0.985 749 I CA -0.565 60.534 61.300 -0.334 0.000 1.260 749 I CB 0.613 38.256 38.000 -0.596 0.000 1.389 749 I HN 0.380 nan 8.210 nan 0.000 0.484 750 F N 4.583 124.197 119.950 -0.561 0.000 2.460 750 F HA 0.501 5.028 4.527 -0.000 0.000 0.341 750 F C -0.554 175.053 175.800 -0.322 0.000 1.130 750 F CA -0.501 57.295 58.000 -0.340 0.000 0.962 750 F CB 1.443 40.217 39.000 -0.377 0.000 1.171 750 F HN 0.201 nan 8.300 nan 0.000 0.436 751 F N 2.768 122.925 119.950 0.345 0.000 2.508 751 F HA 0.579 5.106 4.527 -0.000 0.000 0.325 751 F C 0.410 176.398 175.800 0.313 0.000 1.090 751 F CA -1.278 56.918 58.000 0.327 0.000 0.945 751 F CB 0.909 39.965 39.000 0.094 0.000 1.156 751 F HN 0.230 nan 8.300 nan 0.000 0.463 752 R N 1.238 121.945 120.500 0.345 0.000 2.817 752 R HA 0.223 4.563 4.340 -0.000 0.000 0.264 752 R C 0.049 176.393 176.300 0.072 0.000 1.009 752 R CA -0.259 55.839 56.100 -0.003 0.000 1.133 752 R CB -0.120 30.145 30.300 -0.060 0.000 1.013 752 R HN 0.789 nan 8.270 nan 0.000 0.453 753 A N 0.620 123.446 122.820 0.011 0.000 2.561 753 A HA 0.338 4.658 4.320 -0.000 0.000 0.234 753 A C 1.485 179.062 177.584 -0.012 0.000 1.055 753 A CA 0.950 52.995 52.037 0.015 0.000 0.756 753 A CB -0.455 18.569 19.000 0.041 0.000 0.986 753 A HN 0.936 nan 8.150 nan 0.000 0.505 754 G N 0.400 109.133 108.800 -0.112 0.000 2.253 754 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.251 754 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.251 754 G C 0.878 175.625 174.900 -0.254 0.000 0.998 754 G CA 0.692 45.660 45.100 -0.220 0.000 0.621 754 G HN 0.698 nan 8.290 nan 0.000 0.524 755 Q N 0.128 119.813 119.800 -0.192 0.000 2.269 755 Q HA 0.179 4.519 4.340 -0.000 0.000 0.201 755 Q C 2.916 178.671 176.000 -0.408 0.000 0.946 755 Q CA 1.505 57.176 55.803 -0.220 0.000 0.877 755 Q CB -0.118 28.548 28.738 -0.119 0.000 0.963 755 Q HN 0.636 nan 8.270 nan 0.000 0.472 756 V N 0.905 120.529 119.914 -0.484 0.000 2.358 756 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 756 V C 2.401 178.292 176.094 -0.339 0.000 1.047 756 V CA 1.675 63.658 62.300 -0.528 0.000 1.035 756 V CB -1.259 30.342 31.823 -0.370 0.000 0.658 756 V HN 0.230 nan 8.190 nan 0.000 0.452 757 A N -0.665 121.959 122.820 -0.327 0.000 1.972 757 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 757 A C 2.178 179.691 177.584 -0.118 0.000 1.169 757 A CA 1.918 53.800 52.037 -0.258 0.000 0.635 757 A CB -0.739 17.925 19.000 -0.560 0.000 0.810 757 A HN 0.670 nan 8.150 nan 0.000 0.446 758 Y N 0.488 120.647 120.300 -0.235 0.000 2.163 758 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 758 Y C 1.894 177.664 175.900 -0.217 0.000 1.136 758 Y CA 1.773 59.774 58.100 -0.166 0.000 1.147 758 Y CB -0.299 38.072 38.460 -0.148 0.000 0.987 758 Y HN 0.204 nan 8.280 nan 0.000 0.509 759 L N 0.164 121.219 121.223 -0.280 0.000 2.042 759 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 759 L C 2.506 179.125 176.870 -0.419 0.000 1.076 759 L CA 1.552 56.076 54.840 -0.528 0.000 0.749 759 L CB -0.601 40.924 42.059 -0.891 0.000 0.893 759 L HN 0.238 nan 8.230 nan 0.000 0.432 760 E N 0.525 120.581 120.200 -0.240 0.000 2.204 760 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 760 E C 2.405 178.930 176.600 -0.125 0.000 0.990 760 E CA 1.677 58.033 56.400 -0.074 0.000 0.821 760 E CB 0.055 29.746 29.700 -0.015 0.000 0.750 760 E HN 0.562 nan 8.360 nan 0.000 0.477 761 K N 1.347 121.625 120.400 -0.204 0.000 2.044 761 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 761 K C 2.064 178.525 176.600 -0.232 0.000 1.049 761 K CA 1.146 57.320 56.287 -0.189 0.000 0.945 761 K CB -1.226 31.163 32.500 -0.184 0.000 0.724 761 K HN 0.357 nan 8.250 nan 0.000 0.440 762 I N -2.089 118.255 120.570 -0.377 0.000 3.083 762 I HA -0.008 4.162 4.170 -0.000 0.000 0.273 762 I C 2.326 178.325 176.117 -0.195 0.000 1.297 762 I CA 1.228 62.339 61.300 -0.316 0.000 1.452 762 I CB 0.013 37.743 38.000 -0.449 0.000 1.078 762 I HN 0.256 nan 8.210 nan 0.000 0.484 763 R N 1.733 122.137 120.500 -0.159 0.000 2.103 763 R HA 0.156 4.496 4.340 -0.000 0.000 0.212 763 R C 2.373 178.631 176.300 -0.070 0.000 1.107 763 R CA 1.054 57.102 56.100 -0.088 0.000 1.025 763 R CB -0.184 30.103 30.300 -0.021 0.000 0.929 763 R HN 0.399 nan 8.270 nan 0.000 0.456 764 A N 0.878 123.656 122.820 -0.070 0.000 1.969 764 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 764 A C 0.599 178.147 177.584 -0.059 0.000 1.169 764 A CA 1.426 53.429 52.037 -0.057 0.000 0.635 764 A CB -0.115 18.854 19.000 -0.051 0.000 0.810 764 A HN 0.296 nan 8.150 nan 0.000 0.445 765 D N 0.126 120.481 120.400 -0.075 0.000 3.071 765 D HA 0.508 5.148 4.640 -0.000 0.000 0.259 765 D C 0.388 176.652 176.300 -0.060 0.000 1.331 765 D CA 0.921 54.883 54.000 -0.064 0.000 0.861 765 D CB 0.177 40.935 40.800 -0.070 0.000 1.059 765 D HN 0.584 nan 8.370 nan 0.000 0.486 766 K N 0.000 120.368 120.400 -0.053 0.000 2.780 766 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 766 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 766 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 766 K HN 0.000 nan 8.250 nan 0.000 0.543