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 2nz9_1_A DATA FIRST_RESID 2 DATA SEQUENCE PFVNKQFNYK DPVNGVDIAY IKIPNVGQMQ PVKAFKIHNK IWVIPERDTF DATA SEQUENCE TNPEEGDLNP PPEAKQVPVS YYDSTYLSTD NEKDNYLKGV TKLFERIYST DATA SEQUENCE DLGRMLLTSI VRGIPFWGGS TIDTELKVID TNCINVIQPD GSYRSEELNL DATA SEQUENCE VIIGPSADII QFECKSFGHE VLNLTRNGYG STQYIRFSPD FTFGFEESLE DATA SEQUENCE VDTNPLLGAG KFATDPAVTL AHELIHAGHR LYGIAINPNR VFKVNTNAYY DATA SEQUENCE EMSGLEVSFE ELRTFGGHDA KFIDSLQENE FRLYYYNKFK DIASTLNKAK DATA SEQUENCE SIVGTTASLQ YMKNVFKEKY LLSEDTSGKF SVDKLKFDKL YKMLTEIYTE DATA SEQUENCE DNFVKFFKVL NRKTYLNFDK AVFKINIVPK VNYTIYDGFN LRNTNLAANF DATA SEQUENCE NGQNTEINNM NFTKLKNFTG LFEFYKLLcV RXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XLcIKVNNWD LFFSPSEDNF TNDLNKGEEI TSDTNIEAXX XNISLDLIQQ DATA SEQUENCE YYLTFNFDNE PENISIENLS SDIIGQLELM PNIERFPNGK KYELDKYTMF DATA SEQUENCE HYLRAQEFEH GKSRIALTNS VNEALLNPSR VYTFFSSDYV KKVNKATEAA DATA SEQUENCE MFLGWVEQLV YDFTDETSEV SXXXXIADIT IIIPYIGPAL NIGNMLYKDD DATA SEQUENCE FVGALIFSGA VILLEFIPEI AIPVLGTFAL VSYIANKVLT VQTIDNALSK DATA SEQUENCE RNEKWDEVYK YIVTNWLAKV NTQIDLIRKK MKEALENQAE ATKAIINYQY DATA SEQUENCE NQYTEEEKNN INFNIDDLSS KLNESINKAM ININKFLNQC SVSYLMNSMI DATA SEQUENCE PYGVKRLEDF DASLKDALLK YIYDNRGTLI GQVDRLKDKV NNTLSTDIPF DATA SEQUENCE QLSKYVDNQR LLSTFTEYIK NIINTSILNL RYESNHLIDL SRYASKINIG DATA SEQUENCE SKVNFDPIDK NQIQLFNLES SKIEVILKNA IVYNSMYENF STSFWIRIPK DATA SEQUENCE YFNSISLNNE YTIINCMENN SGWKVSLNYG EIIWTLQDTQ EIKQRVVFKY DATA SEQUENCE SQMINISDYI NRWIFVTITN NRLNNSKIYI NGRLIDQKPI SNLGNIHASN DATA SEQUENCE NIMFKLDGCR DTHRYIWIKY FNLFDKELNE KEIKDLYDNQ SNSGILKDFW DATA SEQUENCE GDYLQYDKPY YMLNLYDPNK YVDVNNVGIR GYMYLKGPRG SVMTTNIYLN DATA SEQUENCE SSLYRGTKFI IKKYASGNKD NIVRNNDRVY INVVVKNKEY RLATNASQAG DATA SEQUENCE VEKILSALEI PDVGNLSQVV VMKSKNDQGI TNKCKMNLQD NNGNDIGFIG DATA SEQUENCE FHQFNNIAKL VASNWYNRQI ERSSRTLGCS WEFIPVDDGW GERP 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.342 177.300 0.070 0.000 1.155 2 P CA 0.000 63.175 63.100 0.126 0.000 0.800 2 P CB 0.000 31.839 31.700 0.231 0.000 0.726 3 F N 1.116 120.919 119.950 -0.245 0.000 2.220 3 F HA 0.209 4.750 4.527 0.024 0.000 0.290 3 F C 0.445 176.167 175.800 -0.130 0.000 1.080 3 F CA 0.720 58.401 58.000 -0.532 0.000 1.318 3 F CB 0.424 38.823 39.000 -1.002 0.000 1.063 3 F HN -0.356 nan 8.300 nan 0.000 0.498 4 V N 2.853 122.760 119.914 -0.011 0.000 2.320 4 V HA 0.142 4.277 4.120 0.024 0.000 0.265 4 V C 0.287 176.317 176.094 -0.106 0.000 1.048 4 V CA -0.392 61.863 62.300 -0.076 0.000 0.865 4 V CB 0.527 32.351 31.823 0.002 0.000 1.043 4 V HN 0.246 nan 8.190 nan 0.000 0.474 5 N N 2.911 121.517 118.700 -0.156 0.000 2.270 5 N HA -0.005 4.750 4.740 0.024 0.000 0.181 5 N C 0.629 176.006 175.510 -0.221 0.000 1.016 5 N CA 0.932 53.888 53.050 -0.157 0.000 0.870 5 N CB 0.133 38.530 38.487 -0.150 0.000 0.979 5 N HN 0.584 nan 8.380 nan 0.000 0.431 6 K N 1.012 121.189 120.400 -0.371 0.000 2.183 6 K HA 0.158 4.493 4.320 0.024 0.000 0.274 6 K C -0.162 176.071 176.600 -0.613 0.000 1.009 6 K CA -0.437 55.500 56.287 -0.583 0.000 0.888 6 K CB 1.480 33.383 32.500 -0.995 0.000 1.078 6 K HN 0.030 nan 8.250 nan 0.000 0.459 7 Q N 4.313 123.875 119.800 -0.397 0.000 2.286 7 Q HA 0.086 4.440 4.340 0.024 0.000 0.265 7 Q C -1.194 174.626 176.000 -0.300 0.000 1.080 7 Q CA 0.120 55.759 55.803 -0.273 0.000 0.906 7 Q CB 0.231 28.887 28.738 -0.136 0.000 1.227 7 Q HN 0.404 nan 8.270 nan 0.000 0.409 8 F N 3.063 122.994 119.950 -0.033 0.000 2.385 8 F HA 0.333 4.875 4.527 0.024 0.000 0.336 8 F C 0.694 176.470 175.800 -0.039 0.000 1.100 8 F CA -0.672 57.317 58.000 -0.017 0.000 1.116 8 F CB 1.061 40.029 39.000 -0.053 0.000 1.166 8 F HN 0.454 nan 8.300 nan 0.000 0.511 9 N N 2.062 120.903 118.700 0.234 0.000 2.362 9 N HA 0.053 4.807 4.740 0.024 0.000 0.298 9 N C 0.387 176.017 175.510 0.201 0.000 1.048 9 N CA -0.589 52.553 53.050 0.152 0.000 0.858 9 N CB 1.441 39.998 38.487 0.118 0.000 1.218 9 N HN 0.654 nan 8.380 nan 0.000 0.488 10 Y N 2.612 122.928 120.300 0.026 0.000 2.193 10 Y HA -0.161 4.403 4.550 0.024 0.000 0.285 10 Y C 1.626 177.672 175.900 0.243 0.000 1.166 10 Y CA 1.886 60.049 58.100 0.105 0.000 1.181 10 Y CB 0.176 38.666 38.460 0.050 0.000 0.976 10 Y HN 0.458 nan 8.280 nan 0.000 0.520 11 K N 0.361 120.824 120.400 0.105 0.000 2.525 11 K HA -0.051 4.284 4.320 0.024 0.000 0.192 11 K C -0.087 176.508 176.600 -0.007 0.000 1.029 11 K CA 0.223 56.511 56.287 0.001 0.000 1.029 11 K CB -0.148 32.392 32.500 0.067 0.000 0.814 11 K HN 0.235 nan 8.250 nan 0.000 0.503 12 D N 2.605 123.045 120.400 0.067 0.000 2.488 12 D HA -0.000 4.654 4.640 0.024 0.000 0.238 12 D C -2.208 174.070 176.300 -0.037 0.000 1.138 12 D CA -1.005 53.037 54.000 0.070 0.000 0.873 12 D CB 0.662 41.581 40.800 0.198 0.000 1.183 12 D HN 0.078 nan 8.370 nan 0.000 0.458 13 P HA 0.058 nan 4.420 nan 0.000 0.281 13 P C -0.366 176.846 177.300 -0.147 0.000 1.249 13 P CA -0.626 62.413 63.100 -0.102 0.000 0.810 13 P CB 0.598 32.268 31.700 -0.051 0.000 1.008 14 V N 0.233 120.018 119.914 -0.214 0.000 2.752 14 V HA 0.000 4.135 4.120 0.024 0.000 0.306 14 V C 1.128 177.160 176.094 -0.104 0.000 1.099 14 V CA 0.500 62.670 62.300 -0.216 0.000 1.240 14 V CB -0.988 30.713 31.823 -0.204 0.000 0.887 14 V HN 0.805 nan 8.190 nan 0.000 0.499 15 N N 1.421 120.069 118.700 -0.086 0.000 2.166 15 N HA 0.267 5.021 4.740 0.024 0.000 0.222 15 N C 1.187 176.690 175.510 -0.012 0.000 1.282 15 N CA 0.539 53.568 53.050 -0.035 0.000 0.890 15 N CB 0.726 39.200 38.487 -0.021 0.000 1.114 15 N HN 1.555 nan 8.380 nan 0.000 0.494 16 G N -0.241 108.555 108.800 -0.007 0.000 2.179 16 G HA2 -0.283 3.692 3.960 0.024 0.000 0.260 16 G HA3 -0.283 3.692 3.960 0.024 0.000 0.260 16 G C 0.554 175.494 174.900 0.066 0.000 0.977 16 G CA 0.688 45.809 45.100 0.036 0.000 0.641 16 G HN 0.292 nan 8.290 nan 0.000 0.533 17 V N 0.396 120.337 119.914 0.046 0.000 2.854 17 V HA 0.233 4.367 4.120 0.024 0.000 0.236 17 V C 1.764 177.879 176.094 0.035 0.000 1.157 17 V CA 2.237 64.569 62.300 0.053 0.000 1.187 17 V CB 0.456 32.290 31.823 0.017 0.000 0.949 17 V HN 0.554 nan 8.190 nan 0.000 0.488 18 D N -1.166 119.204 120.400 -0.051 0.000 2.497 18 D HA 0.180 4.834 4.640 0.024 0.000 0.256 18 D C 0.019 176.108 176.300 -0.352 0.000 1.273 18 D CA 0.090 53.946 54.000 -0.239 0.000 0.812 18 D CB 0.029 40.752 40.800 -0.130 0.000 1.190 18 D HN 0.435 nan 8.370 nan 0.000 0.524 19 I N 1.210 121.637 120.570 -0.239 0.000 2.466 19 I HA 0.745 4.930 4.170 0.024 0.000 0.279 19 I C -0.800 175.127 176.117 -0.317 0.000 1.033 19 I CA -0.790 60.246 61.300 -0.439 0.000 1.123 19 I CB 1.799 39.563 38.000 -0.394 0.000 1.237 19 I HN 0.120 nan 8.210 nan 0.000 0.460 20 A N 4.675 127.329 122.820 -0.277 0.000 2.574 20 A HA 0.670 5.004 4.320 0.024 0.000 0.297 20 A C -1.490 175.979 177.584 -0.192 0.000 1.062 20 A CA -0.507 51.429 52.037 -0.168 0.000 0.686 20 A CB 0.923 19.942 19.000 0.031 0.000 1.285 20 A HN 0.502 nan 8.150 nan 0.000 0.403 21 Y N 1.351 121.589 120.300 -0.102 0.000 2.526 21 Y HA 0.393 4.958 4.550 0.024 0.000 0.330 21 Y C 0.837 176.673 175.900 -0.107 0.000 1.156 21 Y CA 0.839 58.880 58.100 -0.098 0.000 1.419 21 Y CB 0.507 38.913 38.460 -0.090 0.000 1.250 21 Y HN 0.628 nan 8.280 nan 0.000 0.540 22 I N 0.472 121.053 120.570 0.019 0.000 2.730 22 I HA 0.600 4.784 4.170 0.024 0.000 0.298 22 I C -1.145 174.883 176.117 -0.150 0.000 1.089 22 I CA -1.311 59.917 61.300 -0.120 0.000 1.041 22 I CB 2.244 40.070 38.000 -0.290 0.000 1.235 22 I HN 0.399 nan 8.210 nan 0.000 0.423 23 K N 4.301 124.587 120.400 -0.190 0.000 2.087 23 K HA 0.698 5.032 4.320 0.024 0.000 0.255 23 K C -1.080 175.391 176.600 -0.215 0.000 0.988 23 K CA -0.724 55.431 56.287 -0.219 0.000 0.915 23 K CB 1.808 34.162 32.500 -0.244 0.000 1.043 23 K HN 0.588 nan 8.250 nan 0.000 0.457 24 I N 1.947 122.384 120.570 -0.221 0.000 2.969 24 I HA 0.292 4.476 4.170 0.024 0.000 0.307 24 I C -2.371 173.579 176.117 -0.279 0.000 1.149 24 I CA -2.900 58.281 61.300 -0.199 0.000 1.008 24 I CB 2.499 40.426 38.000 -0.121 0.000 1.232 24 I HN 0.403 nan 8.210 nan 0.000 0.435 25 P HA 0.032 nan 4.420 nan 0.000 0.261 25 P C -1.390 175.653 177.300 -0.429 0.000 1.183 25 P CA 0.400 63.106 63.100 -0.657 0.000 0.761 25 P CB 0.143 30.955 31.700 -1.480 0.000 0.785 26 N N 1.657 120.247 118.700 -0.183 0.000 2.331 26 N HA 0.213 4.967 4.740 0.024 0.000 0.280 26 N C -1.263 174.255 175.510 0.015 0.000 1.155 26 N CA -0.720 52.324 53.050 -0.011 0.000 0.822 26 N CB 1.831 40.295 38.487 -0.038 0.000 1.619 26 N HN -0.097 nan 8.380 nan 0.000 0.476 27 V N 3.059 123.013 119.914 0.067 0.000 2.390 27 V HA 0.295 4.429 4.120 0.024 0.000 0.260 27 V C 1.505 177.606 176.094 0.013 0.000 1.043 27 V CA 0.712 63.036 62.300 0.041 0.000 1.047 27 V CB -0.707 31.147 31.823 0.052 0.000 1.066 27 V HN 1.010 nan 8.190 nan 0.000 0.481 28 G N 4.783 113.578 108.800 -0.009 0.000 2.575 28 G HA2 -0.231 3.743 3.960 0.024 0.000 0.267 28 G HA3 -0.231 3.743 3.960 0.024 0.000 0.267 28 G C -0.153 174.724 174.900 -0.037 0.000 1.264 28 G CA -0.281 44.806 45.100 -0.022 0.000 0.935 28 G HN 0.672 nan 8.290 nan 0.000 0.568 29 Q N 0.686 120.463 119.800 -0.038 0.000 2.288 29 Q HA 0.464 4.818 4.340 0.024 0.000 0.258 29 Q C 0.572 176.541 176.000 -0.052 0.000 0.957 29 Q CA 0.263 56.033 55.803 -0.056 0.000 0.919 29 Q CB 1.202 29.907 28.738 -0.054 0.000 1.185 29 Q HN 0.722 nan 8.270 nan 0.000 0.408 30 M N 2.009 121.559 119.600 -0.082 0.000 2.321 30 M HA 0.355 4.849 4.480 0.024 0.000 0.315 30 M C -0.612 175.608 176.300 -0.134 0.000 1.052 30 M CA -0.847 54.396 55.300 -0.094 0.000 0.936 30 M CB 2.065 34.590 32.600 -0.124 0.000 1.639 30 M HN 0.433 nan 8.290 nan 0.000 0.433 31 Q N 4.677 124.405 119.800 -0.120 0.000 2.327 31 Q HA 0.543 4.897 4.340 0.024 0.000 0.254 31 Q C -2.602 173.290 176.000 -0.180 0.000 0.952 31 Q CA -1.475 54.242 55.803 -0.143 0.000 0.884 31 Q CB 0.814 29.482 28.738 -0.116 0.000 1.224 31 Q HN 0.549 nan 8.270 nan 0.000 0.422 32 P HA 0.163 nan 4.420 nan 0.000 0.274 32 P C -0.723 176.519 177.300 -0.097 0.000 1.256 32 P CA -0.404 62.592 63.100 -0.173 0.000 0.795 32 P CB 0.903 32.518 31.700 -0.140 0.000 1.038 33 V N -3.500 116.412 119.914 -0.003 0.000 3.040 33 V HA 0.537 4.672 4.120 0.024 0.000 0.312 33 V C -0.234 176.013 176.094 0.256 0.000 1.115 33 V CA -1.315 61.071 62.300 0.143 0.000 0.998 33 V CB 1.764 33.602 31.823 0.025 0.000 1.042 33 V HN 0.443 nan 8.190 nan 0.000 0.433 34 K N 1.807 122.365 120.400 0.263 0.000 2.316 34 K HA 0.721 5.056 4.320 0.024 0.000 0.289 34 K C -0.123 176.502 176.600 0.042 0.000 1.070 34 K CA 0.175 56.418 56.287 -0.073 0.000 0.928 34 K CB 0.724 33.076 32.500 -0.247 0.000 1.039 34 K HN 1.162 nan 8.250 nan 0.000 0.480 35 A N 3.942 126.725 122.820 -0.063 0.000 2.350 35 A HA 0.775 5.109 4.320 0.024 0.000 0.318 35 A C -1.414 176.108 177.584 -0.105 0.000 1.132 35 A CA -0.736 51.424 52.037 0.205 0.000 0.811 35 A CB 0.632 19.886 19.000 0.423 0.000 1.313 35 A HN 0.589 nan 8.150 nan 0.000 0.454 36 F N 0.107 120.050 119.950 -0.012 0.000 2.529 36 F HA 0.480 5.021 4.527 0.024 0.000 0.320 36 F C 0.342 175.745 175.800 -0.660 0.000 1.118 36 F CA -0.711 56.992 58.000 -0.495 0.000 0.915 36 F CB 2.315 40.862 39.000 -0.756 0.000 1.161 36 F HN 0.532 nan 8.300 nan 0.000 0.445 37 K N 4.734 124.526 120.400 -1.014 0.000 2.244 37 K HA 0.330 4.664 4.320 0.024 0.000 0.263 37 K C 0.997 177.293 176.600 -0.508 0.000 1.103 37 K CA -0.121 55.383 56.287 -1.304 0.000 0.966 37 K CB 0.161 31.521 32.500 -1.900 0.000 1.429 37 K HN 0.862 nan 8.250 nan 0.000 0.434 38 I N -0.313 120.083 120.570 -0.290 0.000 2.617 38 I HA 0.058 4.242 4.170 0.024 0.000 0.256 38 I C 0.671 176.705 176.117 -0.138 0.000 1.167 38 I CA 0.471 61.744 61.300 -0.046 0.000 1.469 38 I CB -0.072 37.868 38.000 -0.100 0.000 1.098 38 I HN 0.478 nan 8.210 nan 0.000 0.436 39 H N 1.385 120.237 119.070 -0.363 0.000 3.079 39 H HA 0.226 4.796 4.556 0.024 0.000 0.356 39 H C -1.004 174.154 175.328 -0.284 0.000 1.221 39 H CA -0.908 54.879 56.048 -0.434 0.000 1.185 39 H CB 1.655 30.984 29.762 -0.721 0.000 1.882 39 H HN 0.038 nan 8.280 nan 0.000 0.543 40 N N 3.523 121.918 118.700 -0.508 0.000 2.142 40 N HA -0.135 4.620 4.740 0.024 0.000 0.282 40 N C 0.253 175.777 175.510 0.023 0.000 1.342 40 N CA 1.162 54.085 53.050 -0.212 0.000 0.831 40 N CB 0.158 38.499 38.487 -0.243 0.000 1.083 40 N HN 0.675 nan 8.380 nan 0.000 0.492 41 K N 0.927 121.384 120.400 0.096 0.000 3.604 41 K HA -0.190 4.145 4.320 0.024 0.000 0.271 41 K C -0.489 176.257 176.600 0.243 0.000 1.180 41 K CA 0.963 57.364 56.287 0.190 0.000 1.017 41 K CB -1.770 30.830 32.500 0.167 0.000 1.292 41 K HN 0.616 nan 8.250 nan 0.000 0.501 42 I N 0.695 121.364 120.570 0.165 0.000 2.382 42 I HA 0.318 4.502 4.170 0.024 0.000 0.286 42 I C -0.356 175.788 176.117 0.045 0.000 1.002 42 I CA -0.629 60.765 61.300 0.157 0.000 1.135 42 I CB 0.888 38.960 38.000 0.120 0.000 1.288 42 I HN -0.038 nan 8.210 nan 0.000 0.448 43 W N 5.323 126.647 121.300 0.040 0.000 2.639 43 W HA 0.710 5.385 4.660 0.024 0.000 0.347 43 W C -0.863 175.722 176.519 0.111 0.000 1.067 43 W CA -0.629 56.750 57.345 0.057 0.000 1.218 43 W CB 1.738 31.230 29.460 0.053 0.000 1.393 43 W HN -0.024 nan 8.180 nan 0.000 0.557 44 V N 4.526 124.660 119.914 0.366 0.000 2.531 44 V HA 0.437 4.571 4.120 0.024 0.000 0.301 44 V C -0.369 175.988 176.094 0.439 0.000 1.034 44 V CA -0.969 61.553 62.300 0.369 0.000 0.865 44 V CB 1.610 33.602 31.823 0.282 0.000 0.995 44 V HN 0.331 nan 8.190 nan 0.000 0.424 45 I N 6.196 127.009 120.570 0.406 0.000 2.428 45 I HA 0.323 4.508 4.170 0.024 0.000 0.279 45 I C -2.436 173.805 176.117 0.206 0.000 1.040 45 I CA -1.796 59.720 61.300 0.361 0.000 1.171 45 I CB 1.983 40.212 38.000 0.381 0.000 1.312 45 I HN 0.414 nan 8.210 nan 0.000 0.470 46 P HA 0.269 nan 4.420 nan 0.000 0.237 46 P C -0.484 176.605 177.300 -0.352 0.000 1.788 46 P CA 0.278 63.160 63.100 -0.364 0.000 1.061 46 P CB -0.013 31.563 31.700 -0.206 0.000 1.967 47 E N 0.716 120.767 120.200 -0.248 0.000 2.335 47 E HA 0.296 4.660 4.350 0.024 0.000 0.280 47 E C -0.665 175.869 176.600 -0.109 0.000 0.918 47 E CA -0.791 55.551 56.400 -0.096 0.000 0.765 47 E CB 1.240 31.039 29.700 0.165 0.000 1.218 47 E HN -0.084 nan 8.360 nan 0.000 0.425 48 R N 2.511 122.929 120.500 -0.137 0.000 2.458 48 R HA 0.044 4.399 4.340 0.024 0.000 0.303 48 R C -0.542 175.615 176.300 -0.237 0.000 1.013 48 R CA -0.164 55.858 56.100 -0.130 0.000 1.026 48 R CB 0.180 30.421 30.300 -0.099 0.000 0.948 48 R HN 0.575 nan 8.270 nan 0.000 0.417 49 D N 2.041 122.285 120.400 -0.259 0.000 2.389 49 D HA -0.072 4.582 4.640 0.024 0.000 0.278 49 D C 0.614 176.569 176.300 -0.575 0.000 1.398 49 D CA 0.786 54.459 54.000 -0.546 0.000 1.090 49 D CB 0.350 40.998 40.800 -0.253 0.000 1.108 49 D HN 0.447 nan 8.370 nan 0.000 0.532 50 T N 1.915 115.939 114.554 -0.882 0.000 3.044 50 T HA 0.105 4.469 4.350 0.024 0.000 0.260 50 T C 0.965 175.508 174.700 -0.262 0.000 1.019 50 T CA -0.068 61.797 62.100 -0.391 0.000 0.921 50 T CB -0.142 68.626 68.868 -0.167 0.000 1.053 50 T HN 0.359 nan 8.240 nan 0.000 0.533 51 F N -0.491 119.473 119.950 0.024 0.000 2.740 51 F HA 0.320 4.861 4.527 0.024 0.000 0.304 51 F C 2.272 178.086 175.800 0.023 0.000 1.098 51 F CA 0.451 58.463 58.000 0.020 0.000 1.258 51 F CB -0.936 38.077 39.000 0.022 0.000 1.061 51 F HN 0.075 nan 8.300 nan 0.000 0.598 52 T N -1.169 113.476 114.554 0.152 0.000 2.777 52 T HA -0.128 4.237 4.350 0.024 0.000 0.266 52 T C 0.840 175.546 174.700 0.011 0.000 1.040 52 T CA 1.141 63.309 62.100 0.113 0.000 1.141 52 T CB -0.805 68.050 68.868 -0.021 0.000 0.868 52 T HN 0.389 nan 8.240 nan 0.000 0.444 53 N N 2.774 121.457 118.700 -0.029 0.000 2.500 53 N HA 0.219 4.974 4.740 0.024 0.000 0.236 53 N C -1.934 173.575 175.510 -0.003 0.000 1.022 53 N CA -1.992 51.042 53.050 -0.026 0.000 0.935 53 N CB 1.546 40.009 38.487 -0.041 0.000 1.147 53 N HN 0.168 nan 8.380 nan 0.000 0.512 54 P HA -0.083 nan 4.420 nan 0.000 0.237 54 P C 0.151 177.457 177.300 0.009 0.000 1.178 54 P CA 0.922 64.036 63.100 0.025 0.000 0.766 54 P CB 0.074 31.795 31.700 0.035 0.000 0.876 55 E N -0.314 119.886 120.200 -0.000 0.000 2.465 55 E HA 0.108 4.473 4.350 0.024 0.000 0.195 55 E C 0.354 176.947 176.600 -0.011 0.000 1.028 55 E CA -0.340 56.056 56.400 -0.005 0.000 0.899 55 E CB -0.013 29.684 29.700 -0.005 0.000 1.032 55 E HN 0.135 nan 8.360 nan 0.000 0.468 56 E N 0.689 120.881 120.200 -0.015 0.000 2.121 56 E HA 0.193 4.557 4.350 0.024 0.000 0.255 56 E C 0.365 176.953 176.600 -0.022 0.000 0.906 56 E CA -0.343 56.045 56.400 -0.020 0.000 0.745 56 E CB 0.946 30.631 29.700 -0.025 0.000 1.155 56 E HN 0.375 nan 8.360 nan 0.000 0.424 57 G N 3.932 112.720 108.800 -0.019 0.000 2.454 57 G HA2 -0.182 3.792 3.960 0.024 0.000 0.214 57 G HA3 -0.182 3.792 3.960 0.024 0.000 0.214 57 G C 0.411 175.298 174.900 -0.023 0.000 1.217 57 G CA 0.601 45.692 45.100 -0.016 0.000 0.799 57 G HN 0.621 nan 8.290 nan 0.000 0.538 58 D N -0.284 120.098 120.400 -0.031 0.000 2.264 58 D HA 0.288 4.942 4.640 0.024 0.000 0.249 58 D C 0.977 177.250 176.300 -0.044 0.000 1.070 58 D CA -0.674 53.303 54.000 -0.039 0.000 0.912 58 D CB 1.430 42.201 40.800 -0.049 0.000 1.193 58 D HN 0.108 nan 8.370 nan 0.000 0.427 59 L N 0.537 121.735 121.223 -0.041 0.000 2.599 59 L HA 0.065 4.420 4.340 0.024 0.000 0.230 59 L C 0.412 177.249 176.870 -0.056 0.000 1.141 59 L CA -0.073 54.748 54.840 -0.032 0.000 0.877 59 L CB -0.681 41.364 42.059 -0.024 0.000 1.009 59 L HN 0.349 nan 8.230 nan 0.000 0.447 60 N N 0.769 119.406 118.700 -0.106 0.000 2.444 60 N HA 0.172 4.926 4.740 0.024 0.000 0.255 60 N C -2.278 172.992 175.510 -0.400 0.000 1.255 60 N CA -1.232 51.700 53.050 -0.197 0.000 0.933 60 N CB 0.085 38.485 38.487 -0.145 0.000 1.143 60 N HN -0.144 nan 8.380 nan 0.000 0.453 61 P HA 0.175 nan 4.420 nan 0.000 0.271 61 P C -2.309 174.654 177.300 -0.561 0.000 1.216 61 P CA -0.751 61.615 63.100 -1.223 0.000 0.776 61 P CB -0.138 30.953 31.700 -1.016 0.000 0.881 62 P HA 0.139 nan 4.420 nan 0.000 0.271 62 P C -2.015 175.216 177.300 -0.115 0.000 1.218 62 P CA -1.396 61.600 63.100 -0.173 0.000 0.780 62 P CB -0.180 31.477 31.700 -0.072 0.000 0.901 63 P HA -0.088 nan 4.420 nan 0.000 0.219 63 P C 0.041 177.333 177.300 -0.013 0.000 1.150 63 P CA 1.370 64.444 63.100 -0.044 0.000 0.814 63 P CB 0.126 31.808 31.700 -0.030 0.000 0.787 64 E N -0.254 119.953 120.200 0.011 0.000 2.158 64 E HA 0.641 5.006 4.350 0.024 0.000 0.271 64 E C -0.738 175.919 176.600 0.094 0.000 0.911 64 E CA -1.250 55.183 56.400 0.056 0.000 0.767 64 E CB 1.733 31.474 29.700 0.069 0.000 1.120 64 E HN -0.068 nan 8.360 nan 0.000 0.405 65 A N 3.553 126.462 122.820 0.147 0.000 2.304 65 A HA 0.269 4.604 4.320 0.024 0.000 0.271 65 A C -0.092 177.708 177.584 0.360 0.000 1.091 65 A CA -0.640 51.521 52.037 0.208 0.000 0.812 65 A CB 0.389 19.495 19.000 0.176 0.000 1.056 65 A HN 0.652 nan 8.150 nan 0.000 0.489 66 K N 0.749 121.353 120.400 0.340 0.000 2.350 66 K HA 0.119 4.454 4.320 0.024 0.000 0.279 66 K C -0.183 176.712 176.600 0.491 0.000 1.027 66 K CA 0.273 56.745 56.287 0.310 0.000 0.969 66 K CB 0.464 33.094 32.500 0.217 0.000 0.954 66 K HN 0.670 nan 8.250 nan 0.000 0.474 67 Q N 2.055 121.962 119.800 0.178 0.000 2.962 67 Q HA 0.107 4.461 4.340 0.024 0.000 0.251 67 Q C -0.971 175.254 176.000 0.374 0.000 1.380 67 Q CA -0.089 55.602 55.803 -0.187 0.000 0.926 67 Q CB 0.259 28.654 28.738 -0.572 0.000 1.704 67 Q HN 0.153 nan 8.270 nan 0.000 0.563 68 V N 2.347 122.524 119.914 0.439 0.000 2.655 68 V HA 0.245 4.379 4.120 0.024 0.000 0.301 68 V C -1.914 174.003 176.094 -0.296 0.000 1.082 68 V CA -2.132 60.128 62.300 -0.067 0.000 0.899 68 V CB 2.132 33.929 31.823 -0.043 0.000 1.014 68 V HN 0.351 nan 8.190 nan 0.000 0.429 69 P HA -0.133 nan 4.420 nan 0.000 0.218 69 P C 0.421 177.522 177.300 -0.332 0.000 1.154 69 P CA 1.575 64.076 63.100 -0.999 0.000 0.872 69 P CB 0.299 31.299 31.700 -1.166 0.000 0.790 70 V N -0.538 119.230 119.914 -0.243 0.000 2.656 70 V HA 0.491 4.625 4.120 0.024 0.000 0.307 70 V C -0.054 176.029 176.094 -0.019 0.000 1.051 70 V CA -0.415 61.840 62.300 -0.075 0.000 0.893 70 V CB 2.050 33.856 31.823 -0.028 0.000 0.999 70 V HN 0.293 nan 8.190 nan 0.000 0.426 71 S N 3.794 119.521 115.700 0.046 0.000 2.550 71 S HA 0.802 5.287 4.470 0.024 0.000 0.270 71 S C -1.637 172.981 174.600 0.031 0.000 1.145 71 S CA -0.734 57.459 58.200 -0.012 0.000 0.852 71 S CB 2.117 65.335 63.200 0.030 0.000 1.119 71 S HN 0.781 nan 8.310 nan 0.000 0.465 72 Y N 0.995 120.998 120.300 -0.494 0.000 2.457 72 Y HA 0.670 5.235 4.550 0.024 0.000 0.343 72 Y C -2.186 173.072 175.900 -1.070 0.000 0.994 72 Y CA -0.989 56.803 58.100 -0.513 0.000 1.031 72 Y CB 1.720 39.925 38.460 -0.426 0.000 1.246 72 Y HN 0.823 nan 8.280 nan 0.000 0.449 73 Y N 4.371 123.779 120.300 -1.487 0.000 2.329 73 Y HA 0.365 4.929 4.550 0.024 0.000 0.328 73 Y C -0.942 174.288 175.900 -1.116 0.000 0.992 73 Y CA -0.998 56.350 58.100 -1.253 0.000 1.151 73 Y CB 1.651 39.328 38.460 -1.305 0.000 1.150 73 Y HN 0.520 nan 8.280 nan 0.000 0.450 74 D N 1.429 121.513 120.400 -0.528 0.000 2.358 74 D HA 0.141 4.795 4.640 0.024 0.000 0.253 74 D C 0.400 176.677 176.300 -0.038 0.000 1.288 74 D CA -0.312 53.554 54.000 -0.224 0.000 0.950 74 D CB 1.228 41.998 40.800 -0.048 0.000 1.197 74 D HN 0.477 nan 8.370 nan 0.000 0.550 75 S N 1.082 116.755 115.700 -0.045 0.000 2.555 75 S HA -0.118 4.366 4.470 0.024 0.000 0.230 75 S C 1.633 176.248 174.600 0.026 0.000 0.978 75 S CA 1.079 59.273 58.200 -0.011 0.000 0.934 75 S CB -0.317 62.863 63.200 -0.033 0.000 0.766 75 S HN 0.509 nan 8.310 nan 0.000 0.533 76 T N -2.310 112.280 114.554 0.060 0.000 3.037 76 T HA 0.140 4.505 4.350 0.024 0.000 0.251 76 T C 0.479 175.249 174.700 0.116 0.000 1.079 76 T CA -0.478 61.666 62.100 0.073 0.000 1.067 76 T CB -0.740 68.175 68.868 0.078 0.000 0.948 76 T HN 0.386 nan 8.240 nan 0.000 0.496 77 Y N 2.724 123.061 120.300 0.062 0.000 2.717 77 Y HA 0.312 4.876 4.550 0.024 0.000 0.330 77 Y C 0.777 176.720 175.900 0.070 0.000 1.217 77 Y CA -1.316 56.857 58.100 0.121 0.000 1.506 77 Y CB 0.090 38.692 38.460 0.237 0.000 1.268 77 Y HN 0.228 nan 8.280 nan 0.000 0.561 78 L N 4.269 125.138 121.223 -0.591 0.000 4.140 78 L HA -0.277 4.078 4.340 0.024 0.000 0.406 78 L C 0.953 177.624 176.870 -0.332 0.000 1.175 78 L CA 1.577 55.990 54.840 -0.711 0.000 0.939 78 L CB -2.003 39.384 42.059 -1.120 0.000 2.105 78 L HN 0.799 nan 8.230 nan 0.000 0.803 79 S N -3.598 111.997 115.700 -0.175 0.000 2.502 79 S HA 0.271 4.755 4.470 0.024 0.000 0.215 79 S C 0.868 175.428 174.600 -0.066 0.000 1.009 79 S CA 0.447 58.591 58.200 -0.093 0.000 0.908 79 S CB 0.140 63.318 63.200 -0.036 0.000 0.801 79 S HN 0.808 nan 8.310 nan 0.000 0.505 80 T N -0.835 113.675 114.554 -0.074 0.000 2.923 80 T HA 0.506 4.870 4.350 0.024 0.000 0.281 80 T C 0.138 174.791 174.700 -0.078 0.000 0.995 80 T CA -0.414 61.663 62.100 -0.038 0.000 0.985 80 T CB 1.021 69.883 68.868 -0.010 0.000 1.114 80 T HN -0.131 nan 8.240 nan 0.000 0.548 81 D N 0.443 120.836 120.400 -0.011 0.000 2.091 81 D HA -0.041 4.614 4.640 0.024 0.000 0.199 81 D C 2.050 178.331 176.300 -0.031 0.000 0.980 81 D CA 0.975 54.982 54.000 0.012 0.000 0.831 81 D CB -0.371 40.538 40.800 0.182 0.000 0.987 81 D HN 0.500 nan 8.370 nan 0.000 0.460 82 N N 1.191 119.897 118.700 0.009 0.000 2.060 82 N HA -0.189 4.565 4.740 0.024 0.000 0.195 82 N C 1.651 177.144 175.510 -0.028 0.000 1.028 82 N CA 0.957 54.011 53.050 0.008 0.000 0.861 82 N CB -0.354 38.142 38.487 0.015 0.000 1.029 82 N HN 0.431 nan 8.380 nan 0.000 0.428 83 E N 0.860 121.028 120.200 -0.053 0.000 2.058 83 E HA -0.150 4.214 4.350 0.024 0.000 0.194 83 E C 1.911 178.447 176.600 -0.106 0.000 0.997 83 E CA 1.117 57.479 56.400 -0.063 0.000 0.801 83 E CB 0.003 29.649 29.700 -0.090 0.000 0.746 83 E HN 0.425 nan 8.360 nan 0.000 0.450 84 K N 0.512 120.764 120.400 -0.247 0.000 2.026 84 K HA -0.189 4.145 4.320 0.024 0.000 0.208 84 K C 1.983 178.465 176.600 -0.196 0.000 1.048 84 K CA 1.614 57.668 56.287 -0.389 0.000 0.929 84 K CB -0.199 31.716 32.500 -0.975 0.000 0.713 84 K HN 0.062 nan 8.250 nan 0.000 0.439 85 D N 0.705 121.033 120.400 -0.120 0.000 2.178 85 D HA -0.158 4.496 4.640 0.024 0.000 0.201 85 D C 1.723 178.026 176.300 0.005 0.000 0.980 85 D CA 1.102 55.109 54.000 0.011 0.000 0.842 85 D CB -0.033 40.818 40.800 0.086 0.000 0.948 85 D HN 0.117 nan 8.370 nan 0.000 0.472 86 N N -1.470 117.231 118.700 0.001 0.000 2.084 86 N HA -0.235 4.520 4.740 0.024 0.000 0.190 86 N C 1.634 177.149 175.510 0.008 0.000 1.030 86 N CA 1.170 54.217 53.050 -0.005 0.000 0.849 86 N CB -0.278 38.203 38.487 -0.010 0.000 1.012 86 N HN 0.285 nan 8.380 nan 0.000 0.423 87 Y N 0.248 120.496 120.300 -0.086 0.000 2.097 87 Y HA -0.225 4.339 4.550 0.024 0.000 0.282 87 Y C 2.075 177.946 175.900 -0.049 0.000 1.152 87 Y CA 1.415 59.478 58.100 -0.062 0.000 1.136 87 Y CB -0.500 37.913 38.460 -0.078 0.000 0.975 87 Y HN 0.145 nan 8.280 nan 0.000 0.498 88 L N 1.039 122.358 121.223 0.160 0.000 2.012 88 L HA -0.245 4.110 4.340 0.024 0.000 0.210 88 L C 2.185 179.049 176.870 -0.009 0.000 1.073 88 L CA 2.034 56.900 54.840 0.043 0.000 0.748 88 L CB -0.854 41.114 42.059 -0.151 0.000 0.891 88 L HN 0.182 nan 8.230 nan 0.000 0.431 89 K N -1.116 119.272 120.400 -0.020 0.000 2.097 89 K HA -0.082 4.252 4.320 0.024 0.000 0.206 89 K C 1.984 178.555 176.600 -0.047 0.000 1.049 89 K CA 1.107 57.380 56.287 -0.023 0.000 0.933 89 K CB -0.656 31.828 32.500 -0.025 0.000 0.717 89 K HN 0.531 nan 8.250 nan 0.000 0.442 90 G N 0.836 109.576 108.800 -0.100 0.000 2.433 90 G HA2 -0.215 3.759 3.960 0.024 0.000 0.216 90 G HA3 -0.215 3.759 3.960 0.024 0.000 0.216 90 G C 1.575 176.408 174.900 -0.112 0.000 1.186 90 G CA 0.935 45.940 45.100 -0.159 0.000 0.779 90 G HN 0.092 nan 8.290 nan 0.000 0.543 91 V N 0.938 120.785 119.914 -0.111 0.000 2.255 91 V HA -0.220 3.915 4.120 0.024 0.000 0.247 91 V C 3.032 179.268 176.094 0.238 0.000 1.051 91 V CA 2.415 64.763 62.300 0.081 0.000 1.018 91 V CB -1.361 30.530 31.823 0.112 0.000 0.641 91 V HN 0.385 nan 8.190 nan 0.000 0.445 92 T N 0.040 114.685 114.554 0.150 0.000 2.531 92 T HA -0.397 3.967 4.350 0.024 0.000 0.261 92 T C 1.947 176.742 174.700 0.158 0.000 1.141 92 T CA 2.585 64.773 62.100 0.146 0.000 1.176 92 T CB -0.420 68.490 68.868 0.070 0.000 0.863 92 T HN 0.555 nan 8.240 nan 0.000 0.424 93 K N 0.530 120.968 120.400 0.063 0.000 2.089 93 K HA -0.128 4.207 4.320 0.024 0.000 0.210 93 K C 2.374 178.999 176.600 0.041 0.000 1.048 93 K CA 1.447 57.754 56.287 0.032 0.000 0.926 93 K CB -0.406 32.084 32.500 -0.015 0.000 0.714 93 K HN 0.327 nan 8.250 nan 0.000 0.448 94 L N -0.026 121.207 121.223 0.017 0.000 2.046 94 L HA -0.178 4.176 4.340 0.024 0.000 0.208 94 L C 2.362 179.180 176.870 -0.087 0.000 1.077 94 L CA 1.266 56.067 54.840 -0.064 0.000 0.747 94 L CB -0.431 41.550 42.059 -0.129 0.000 0.896 94 L HN 0.165 nan 8.230 nan 0.000 0.432 95 F N 0.404 120.296 119.950 -0.096 0.000 2.095 95 F HA -0.245 4.297 4.527 0.024 0.000 0.298 95 F C 2.701 178.426 175.800 -0.125 0.000 1.104 95 F CA 1.391 59.296 58.000 -0.157 0.000 1.232 95 F CB -0.316 38.626 39.000 -0.096 0.000 0.987 95 F HN 0.067 nan 8.300 nan 0.000 0.475 96 E N -0.010 120.298 120.200 0.180 0.000 2.160 96 E HA -0.247 4.118 4.350 0.024 0.000 0.195 96 E C 2.204 178.875 176.600 0.119 0.000 0.991 96 E CA 1.081 57.576 56.400 0.158 0.000 0.810 96 E CB -0.495 29.266 29.700 0.102 0.000 0.742 96 E HN 0.420 nan 8.360 nan 0.000 0.466 97 R N 0.653 121.190 120.500 0.061 0.000 2.062 97 R HA -0.054 4.301 4.340 0.024 0.000 0.231 97 R C 2.499 178.939 176.300 0.234 0.000 1.136 97 R CA 1.061 57.212 56.100 0.085 0.000 0.948 97 R CB -0.320 29.972 30.300 -0.013 0.000 0.845 97 R HN 0.078 nan 8.270 nan 0.000 0.430 98 I N -0.067 120.591 120.570 0.147 0.000 2.127 98 I HA -0.313 3.871 4.170 0.024 0.000 0.241 98 I C 2.100 178.254 176.117 0.062 0.000 1.075 98 I CA 1.415 62.810 61.300 0.158 0.000 1.334 98 I CB -0.398 37.515 38.000 -0.145 0.000 1.040 98 I HN 0.275 nan 8.210 nan 0.000 0.405 99 Y N 1.682 121.897 120.300 -0.142 0.000 2.384 99 Y HA -0.307 4.258 4.550 0.024 0.000 0.289 99 Y C 2.762 178.642 175.900 -0.033 0.000 1.152 99 Y CA 1.455 59.462 58.100 -0.155 0.000 1.258 99 Y CB -0.354 37.973 38.460 -0.222 0.000 0.979 99 Y HN 0.302 nan 8.280 nan 0.000 0.549 100 S N -1.445 114.273 115.700 0.030 0.000 2.453 100 S HA -0.042 4.443 4.470 0.024 0.000 0.231 100 S C 1.057 175.632 174.600 -0.041 0.000 1.005 100 S CA 0.382 58.606 58.200 0.041 0.000 0.949 100 S CB -1.246 62.093 63.200 0.233 0.000 0.774 100 S HN 0.460 nan 8.310 nan 0.000 0.510 101 T N -0.182 114.322 114.554 -0.084 0.000 2.909 101 T HA 0.374 4.739 4.350 0.024 0.000 0.286 101 T C 0.250 174.737 174.700 -0.356 0.000 1.002 101 T CA -0.571 61.410 62.100 -0.200 0.000 1.074 101 T CB 1.074 69.755 68.868 -0.311 0.000 0.984 101 T HN -0.082 nan 8.240 nan 0.000 0.495 102 D N 0.688 120.822 120.400 -0.443 0.000 2.116 102 D HA -0.117 4.537 4.640 0.024 0.000 0.193 102 D C 1.872 177.951 176.300 -0.369 0.000 0.998 102 D CA 1.027 54.774 54.000 -0.423 0.000 0.836 102 D CB -0.278 40.127 40.800 -0.658 0.000 0.951 102 D HN 0.489 nan 8.370 nan 0.000 0.449 103 L N 0.455 121.116 121.223 -0.937 0.000 2.141 103 L HA 0.052 4.406 4.340 0.024 0.000 0.209 103 L C 2.102 178.660 176.870 -0.520 0.000 1.094 103 L CA 1.869 56.212 54.840 -0.828 0.000 0.763 103 L CB -0.631 40.587 42.059 -1.402 0.000 0.908 103 L HN 0.047 nan 8.230 nan 0.000 0.437 104 G N -1.090 107.503 108.800 -0.344 0.000 2.394 104 G HA2 -0.246 3.728 3.960 0.024 0.000 0.214 104 G HA3 -0.246 3.728 3.960 0.024 0.000 0.214 104 G C 1.754 176.585 174.900 -0.115 0.000 1.176 104 G CA 0.535 45.597 45.100 -0.063 0.000 0.786 104 G HN 0.337 nan 8.290 nan 0.000 0.533 105 R N -0.730 119.664 120.500 -0.177 0.000 2.154 105 R HA -0.095 4.259 4.340 0.024 0.000 0.248 105 R C 2.508 178.878 176.300 0.116 0.000 1.155 105 R CA 1.729 57.762 56.100 -0.110 0.000 0.979 105 R CB -0.212 29.883 30.300 -0.342 0.000 0.869 105 R HN 0.397 nan 8.270 nan 0.000 0.452 106 M N -0.672 118.859 119.600 -0.115 0.000 2.115 106 M HA -0.121 4.374 4.480 0.024 0.000 0.261 106 M C 2.066 178.243 176.300 -0.206 0.000 1.079 106 M CA 0.975 56.026 55.300 -0.415 0.000 1.143 106 M CB -0.217 32.091 32.600 -0.486 0.000 1.332 106 M HN 0.175 nan 8.290 nan 0.000 0.421 107 L N 0.737 121.654 121.223 -0.510 0.000 2.021 107 L HA -0.237 4.117 4.340 0.024 0.000 0.215 107 L C 2.008 178.778 176.870 -0.168 0.000 1.074 107 L CA 1.983 56.373 54.840 -0.750 0.000 0.760 107 L CB -0.797 40.785 42.059 -0.795 0.000 0.889 107 L HN 0.311 nan 8.230 nan 0.000 0.433 108 L N -1.287 119.895 121.223 -0.068 0.000 2.017 108 L HA -0.235 4.119 4.340 0.024 0.000 0.208 108 L C 2.418 179.430 176.870 0.237 0.000 1.073 108 L CA 1.966 56.842 54.840 0.061 0.000 0.745 108 L CB -0.895 41.134 42.059 -0.050 0.000 0.894 108 L HN 0.306 nan 8.230 nan 0.000 0.432 109 T N -1.212 113.528 114.554 0.309 0.000 2.684 109 T HA -0.207 4.158 4.350 0.024 0.000 0.267 109 T C 2.149 177.050 174.700 0.335 0.000 1.036 109 T CA 1.681 64.003 62.100 0.371 0.000 1.148 109 T CB -0.154 68.952 68.868 0.397 0.000 0.863 109 T HN 0.238 nan 8.240 nan 0.000 0.436 110 S N 0.723 116.645 115.700 0.371 0.000 2.380 110 S HA -0.121 4.363 4.470 0.024 0.000 0.229 110 S C 1.947 176.800 174.600 0.422 0.000 1.043 110 S CA 1.194 59.658 58.200 0.440 0.000 1.038 110 S CB -0.473 63.050 63.200 0.537 0.000 0.872 110 S HN 0.398 nan 8.310 nan 0.000 0.456 111 I N 0.580 121.332 120.570 0.303 0.000 2.110 111 I HA -0.158 4.026 4.170 0.024 0.000 0.236 111 I C 2.197 178.419 176.117 0.176 0.000 1.068 111 I CA 0.940 62.373 61.300 0.221 0.000 1.333 111 I CB -0.580 37.529 38.000 0.182 0.000 1.054 111 I HN 0.131 nan 8.210 nan 0.000 0.402 112 V N 0.989 121.037 119.914 0.222 0.000 2.277 112 V HA -0.380 3.754 4.120 0.024 0.000 0.253 112 V C 2.602 178.784 176.094 0.146 0.000 1.067 112 V CA 2.440 64.867 62.300 0.213 0.000 1.047 112 V CB -0.925 31.067 31.823 0.282 0.000 0.649 112 V HN 0.449 nan 8.190 nan 0.000 0.447 113 R N 0.644 121.237 120.500 0.156 0.000 2.090 113 R HA -0.027 4.327 4.340 0.024 0.000 0.228 113 R C 1.579 177.885 176.300 0.010 0.000 1.110 113 R CA 1.101 57.262 56.100 0.101 0.000 0.973 113 R CB -0.501 29.883 30.300 0.139 0.000 0.869 113 R HN 0.546 nan 8.270 nan 0.000 0.440 114 G N 2.592 111.340 108.800 -0.087 0.000 2.789 114 G HA2 0.152 4.127 3.960 0.024 0.000 0.281 114 G HA3 0.152 4.127 3.960 0.024 0.000 0.281 114 G C -0.032 174.701 174.900 -0.278 0.000 0.708 114 G CA -0.399 44.377 45.100 -0.539 0.000 2.067 114 G HN 0.141 nan 8.290 nan 0.000 0.554 115 I N 2.589 123.110 120.570 -0.082 0.000 2.556 115 I HA 0.133 4.317 4.170 0.024 0.000 0.284 115 I C -1.894 174.379 176.117 0.260 0.000 1.114 115 I CA -3.049 58.310 61.300 0.099 0.000 1.418 115 I CB 0.774 38.837 38.000 0.104 0.000 1.394 115 I HN 0.158 nan 8.210 nan 0.000 0.552 116 P HA -0.042 nan 4.420 nan 0.000 0.262 116 P C -0.109 177.461 177.300 0.450 0.000 1.182 116 P CA 0.079 63.351 63.100 0.286 0.000 0.761 116 P CB 0.230 32.051 31.700 0.201 0.000 0.795 117 F N 3.564 123.600 119.950 0.143 0.000 2.532 117 F HA 0.170 4.712 4.527 0.024 0.000 0.323 117 F C 0.019 175.864 175.800 0.075 0.000 1.234 117 F CA -0.009 57.934 58.000 -0.095 0.000 1.323 117 F CB 0.252 38.846 39.000 -0.675 0.000 1.183 117 F HN 0.330 nan 8.300 nan 0.000 0.589 118 W N 4.312 124.819 121.300 -1.321 0.000 2.165 118 W HA 0.525 5.199 4.660 0.024 0.000 0.288 118 W C 0.436 176.215 176.519 -1.233 0.000 0.900 118 W CA -0.337 56.488 57.345 -0.867 0.000 1.914 118 W CB 0.623 29.776 29.460 -0.512 0.000 2.091 118 W HN 0.924 nan 8.180 nan 0.000 0.399 119 G N 0.753 109.126 108.800 -0.713 0.000 2.955 119 G HA2 -0.188 3.786 3.960 0.024 0.000 0.230 119 G HA3 -0.188 3.786 3.960 0.024 0.000 0.230 119 G C 0.891 175.783 174.900 -0.015 0.000 1.587 119 G CA 0.201 45.174 45.100 -0.211 0.000 1.216 119 G HN 0.585 nan 8.290 nan 0.000 0.527 120 G N -0.068 108.714 108.800 -0.031 0.000 2.615 120 G HA2 0.407 4.381 3.960 0.024 0.000 0.213 120 G HA3 0.407 4.381 3.960 0.024 0.000 0.213 120 G C 1.099 176.032 174.900 0.055 0.000 1.215 120 G CA 1.594 46.712 45.100 0.030 0.000 0.843 120 G HN 2.243 nan 8.290 nan 0.000 0.571 121 S N 0.321 116.044 115.700 0.038 0.000 4.488 121 S HA -0.163 4.321 4.470 0.024 0.000 0.231 121 S C 1.295 175.931 174.600 0.060 0.000 0.639 121 S CA 0.851 59.078 58.200 0.046 0.000 1.265 121 S CB -0.521 62.703 63.200 0.039 0.000 2.200 121 S HN 0.530 nan 8.310 nan 0.000 0.336 122 T N 5.547 120.137 114.554 0.059 0.000 3.113 122 T HA 0.154 4.518 4.350 0.024 0.000 0.263 122 T C 0.758 175.488 174.700 0.051 0.000 1.143 122 T CA 0.896 63.032 62.100 0.060 0.000 1.090 122 T CB -0.379 68.522 68.868 0.054 0.000 0.922 122 T HN 0.656 nan 8.240 nan 0.000 0.521 123 I N 1.000 121.598 120.570 0.047 0.000 2.404 123 I HA 0.329 4.513 4.170 0.024 0.000 0.293 123 I C 0.542 176.686 176.117 0.045 0.000 0.992 123 I CA -0.953 60.372 61.300 0.042 0.000 1.149 123 I CB 1.607 39.629 38.000 0.036 0.000 1.315 123 I HN -0.240 nan 8.210 nan 0.000 0.446 124 D N 2.475 122.901 120.400 0.043 0.000 2.133 124 D HA -0.202 4.452 4.640 0.024 0.000 0.192 124 D C 2.139 178.466 176.300 0.045 0.000 1.001 124 D CA 2.375 56.402 54.000 0.046 0.000 0.844 124 D CB -0.149 40.674 40.800 0.038 0.000 0.944 124 D HN 0.792 nan 8.370 nan 0.000 0.447 125 T N -1.716 112.861 114.554 0.039 0.000 3.072 125 T HA -0.077 4.287 4.350 0.024 0.000 0.266 125 T C 0.728 175.451 174.700 0.039 0.000 1.127 125 T CA 0.430 62.552 62.100 0.036 0.000 1.107 125 T CB -0.091 68.795 68.868 0.030 0.000 0.910 125 T HN 0.410 nan 8.240 nan 0.000 0.513 126 E N 0.467 120.691 120.200 0.041 0.000 2.312 126 E HA 0.616 4.980 4.350 0.024 0.000 0.267 126 E C -1.299 175.325 176.600 0.039 0.000 0.894 126 E CA -1.236 55.189 56.400 0.042 0.000 0.773 126 E CB 1.553 31.280 29.700 0.045 0.000 1.241 126 E HN 0.234 nan 8.360 nan 0.000 0.432 127 L N 2.029 123.282 121.223 0.049 0.000 2.317 127 L HA 0.593 4.947 4.340 0.024 0.000 0.281 127 L C -0.168 176.806 176.870 0.173 0.000 1.024 127 L CA -0.883 53.992 54.840 0.059 0.000 0.810 127 L CB 1.535 43.604 42.059 0.017 0.000 1.240 127 L HN 0.631 nan 8.230 nan 0.000 0.427 128 K N 1.786 122.279 120.400 0.155 0.000 2.469 128 K HA 0.512 4.847 4.320 0.024 0.000 0.254 128 K C -1.444 175.092 176.600 -0.107 0.000 0.939 128 K CA -0.670 55.685 56.287 0.113 0.000 0.812 128 K CB 2.882 35.392 32.500 0.016 0.000 1.301 128 K HN 0.319 nan 8.250 nan 0.000 0.433 129 V N 5.392 124.951 119.914 -0.591 0.000 2.686 129 V HA 0.271 4.406 4.120 0.024 0.000 0.295 129 V C -0.060 175.733 176.094 -0.503 0.000 1.055 129 V CA -0.292 61.320 62.300 -1.147 0.000 1.050 129 V CB 0.522 31.305 31.823 -1.734 0.000 0.984 129 V HN 0.660 nan 8.190 nan 0.000 0.482 130 I N 6.599 126.940 120.570 -0.381 0.000 2.396 130 I HA 0.180 4.365 4.170 0.024 0.000 0.289 130 I C 1.201 177.235 176.117 -0.137 0.000 1.056 130 I CA -0.254 60.961 61.300 -0.143 0.000 1.365 130 I CB 1.153 39.145 38.000 -0.014 0.000 1.407 130 I HN 0.872 nan 8.210 nan 0.000 0.509 131 D N 2.835 123.180 120.400 -0.092 0.000 2.149 131 D HA -0.250 4.404 4.640 0.024 0.000 0.198 131 D C 1.788 178.034 176.300 -0.091 0.000 0.990 131 D CA 1.918 55.860 54.000 -0.097 0.000 0.839 131 D CB -0.547 40.207 40.800 -0.076 0.000 0.948 131 D HN 0.641 nan 8.370 nan 0.000 0.460 132 T N -2.938 111.583 114.554 -0.055 0.000 3.051 132 T HA -0.088 4.276 4.350 0.024 0.000 0.269 132 T C 1.208 175.901 174.700 -0.012 0.000 1.127 132 T CA 0.572 62.620 62.100 -0.088 0.000 1.107 132 T CB -0.440 68.431 68.868 0.006 0.000 0.898 132 T HN -0.024 nan 8.240 nan 0.000 0.517 133 N N 0.620 119.327 118.700 0.012 0.000 2.362 133 N HA 0.236 4.990 4.740 0.024 0.000 0.204 133 N C -0.380 175.126 175.510 -0.005 0.000 1.166 133 N CA -0.104 52.971 53.050 0.041 0.000 0.831 133 N CB -0.374 38.135 38.487 0.036 0.000 1.008 133 N HN 0.519 nan 8.380 nan 0.000 0.472 134 C N -0.275 118.997 119.300 -0.047 0.000 3.259 134 C HA 0.730 5.204 4.460 0.024 0.000 0.328 134 C C -0.063 174.865 174.990 -0.104 0.000 1.425 134 C CA -1.094 57.881 59.018 -0.073 0.000 1.465 134 C CB 1.339 29.026 27.740 -0.089 0.000 1.890 134 C HN 0.265 nan 8.230 nan 0.000 0.450 135 I N -0.486 119.996 120.570 -0.147 0.000 2.994 135 I HA 0.556 4.740 4.170 0.024 0.000 0.306 135 I C -1.372 174.648 176.117 -0.162 0.000 1.195 135 I CA -0.572 60.611 61.300 -0.195 0.000 1.001 135 I CB 1.666 39.472 38.000 -0.325 0.000 1.244 135 I HN 0.411 nan 8.210 nan 0.000 0.437 136 N N 2.731 121.340 118.700 -0.151 0.000 2.422 136 N HA 0.424 5.179 4.740 0.024 0.000 0.266 136 N C -0.830 174.618 175.510 -0.102 0.000 1.007 136 N CA -0.364 52.652 53.050 -0.055 0.000 0.941 136 N CB 2.276 40.693 38.487 -0.116 0.000 1.115 136 N HN 0.425 nan 8.380 nan 0.000 0.492 137 V N 3.654 123.541 119.914 -0.045 0.000 2.364 137 V HA 0.337 4.471 4.120 0.024 0.000 0.272 137 V C 0.570 176.694 176.094 0.051 0.000 1.036 137 V CA -0.758 61.509 62.300 -0.055 0.000 0.880 137 V CB 0.476 32.285 31.823 -0.024 0.000 0.991 137 V HN 0.433 nan 8.190 nan 0.000 0.460 138 I N 5.644 126.242 120.570 0.047 0.000 2.379 138 I HA 0.198 4.382 4.170 0.024 0.000 0.290 138 I C 0.714 176.878 176.117 0.078 0.000 1.063 138 I CA 0.176 61.526 61.300 0.084 0.000 1.351 138 I CB 0.647 38.685 38.000 0.064 0.000 1.410 138 I HN 0.574 nan 8.210 nan 0.000 0.505 139 Q N 7.824 127.667 119.800 0.071 0.000 2.417 139 Q HA 0.168 4.522 4.340 0.024 0.000 0.241 139 Q C -1.429 174.599 176.000 0.047 0.000 1.008 139 Q CA -1.614 54.218 55.803 0.048 0.000 0.901 139 Q CB -0.134 28.624 28.738 0.033 0.000 1.259 139 Q HN 0.312 nan 8.270 nan 0.000 0.489 140 P HA -0.243 nan 4.420 nan 0.000 0.217 140 P C 0.708 178.025 177.300 0.027 0.000 1.162 140 P CA 2.047 65.165 63.100 0.030 0.000 0.901 140 P CB 0.054 31.763 31.700 0.015 0.000 0.793 141 D N -2.317 118.096 120.400 0.020 0.000 2.310 141 D HA -0.016 4.638 4.640 0.024 0.000 0.212 141 D C 1.527 177.838 176.300 0.019 0.000 0.965 141 D CA 1.562 55.571 54.000 0.015 0.000 0.879 141 D CB -0.765 40.039 40.800 0.008 0.000 0.921 141 D HN 0.354 nan 8.370 nan 0.000 0.510 142 G N -0.310 108.508 108.800 0.031 0.000 2.352 142 G HA2 -0.225 3.749 3.960 0.024 0.000 0.204 142 G HA3 -0.225 3.749 3.960 0.024 0.000 0.204 142 G C 0.418 175.360 174.900 0.070 0.000 1.004 142 G CA 0.251 45.374 45.100 0.039 0.000 0.648 142 G HN 0.858 nan 8.290 nan 0.000 0.491 143 S N 0.464 116.194 115.700 0.051 0.000 2.576 143 S HA 0.558 5.043 4.470 0.024 0.000 0.272 143 S C -0.002 174.659 174.600 0.102 0.000 1.352 143 S CA 0.517 58.743 58.200 0.043 0.000 1.021 143 S CB 0.668 63.852 63.200 -0.028 0.000 0.887 143 S HN 1.771 nan 8.310 nan 0.000 0.542 144 Y N -0.277 120.008 120.300 -0.026 0.000 2.499 144 Y HA 0.747 5.312 4.550 0.024 0.000 0.347 144 Y C -0.408 175.474 175.900 -0.031 0.000 0.987 144 Y CA -1.439 56.641 58.100 -0.032 0.000 1.044 144 Y CB 1.319 39.751 38.460 -0.047 0.000 1.245 144 Y HN 0.932 nan 8.280 nan 0.000 0.461 145 R N 2.410 122.909 120.500 -0.001 0.000 2.599 145 R HA 0.639 4.993 4.340 0.024 0.000 0.295 145 R C -1.276 175.047 176.300 0.039 0.000 0.963 145 R CA -0.595 55.469 56.100 -0.058 0.000 0.883 145 R CB 1.662 31.944 30.300 -0.029 0.000 1.171 145 R HN 0.898 nan 8.270 nan 0.000 0.450 146 S N 2.353 118.063 115.700 0.016 0.000 2.584 146 S HA 0.225 4.709 4.470 0.024 0.000 0.273 146 S C -0.627 173.975 174.600 0.003 0.000 1.311 146 S CA -0.545 57.673 58.200 0.029 0.000 1.034 146 S CB 1.229 64.443 63.200 0.024 0.000 0.939 146 S HN 0.555 nan 8.310 nan 0.000 0.513 147 E N 1.203 121.388 120.200 -0.024 0.000 2.272 147 E HA 0.213 4.577 4.350 0.024 0.000 0.269 147 E C -0.674 175.924 176.600 -0.004 0.000 0.877 147 E CA -0.532 55.871 56.400 0.004 0.000 0.755 147 E CB 1.741 31.444 29.700 0.004 0.000 1.192 147 E HN 0.625 nan 8.360 nan 0.000 0.422 148 E N 1.315 121.548 120.200 0.054 0.000 2.409 148 E HA 0.330 4.694 4.350 0.024 0.000 0.257 148 E C -0.618 176.036 176.600 0.090 0.000 1.150 148 E CA -0.267 56.175 56.400 0.070 0.000 0.942 148 E CB 0.849 30.638 29.700 0.148 0.000 0.979 148 E HN 0.070 nan 8.360 nan 0.000 0.447 149 L N 1.565 122.843 121.223 0.090 0.000 2.666 149 L HA 0.191 4.546 4.340 0.024 0.000 0.259 149 L C -0.846 176.079 176.870 0.092 0.000 0.919 149 L CA -0.186 54.712 54.840 0.097 0.000 0.927 149 L CB 1.848 43.903 42.059 -0.006 0.000 1.423 149 L HN 0.341 nan 8.230 nan 0.000 0.426 150 N N 2.698 121.468 118.700 0.117 0.000 2.439 150 N HA 0.403 5.157 4.740 0.024 0.000 0.176 150 N C -0.810 174.735 175.510 0.059 0.000 1.029 150 N CA 0.587 53.693 53.050 0.093 0.000 0.886 150 N CB 0.490 39.044 38.487 0.111 0.000 1.057 150 N HN 0.454 nan 8.380 nan 0.000 0.437 151 L N 0.383 121.646 121.223 0.067 0.000 2.614 151 L HA 0.471 4.826 4.340 0.024 0.000 0.264 151 L C -1.820 175.098 176.870 0.079 0.000 0.940 151 L CA -0.536 54.339 54.840 0.059 0.000 0.903 151 L CB 1.699 43.846 42.059 0.147 0.000 1.306 151 L HN -0.292 nan 8.230 nan 0.000 0.410 152 V N 5.727 125.616 119.914 -0.042 0.000 2.555 152 V HA 0.592 4.727 4.120 0.024 0.000 0.302 152 V C -0.360 175.877 176.094 0.239 0.000 1.038 152 V CA -0.587 61.772 62.300 0.097 0.000 0.887 152 V CB 1.974 33.788 31.823 -0.016 0.000 0.991 152 V HN 0.496 nan 8.190 nan 0.000 0.434 153 I N 5.927 126.699 120.570 0.337 0.000 2.330 153 I HA 0.490 4.675 4.170 0.024 0.000 0.289 153 I C 0.068 176.456 176.117 0.452 0.000 1.001 153 I CA -0.230 61.314 61.300 0.407 0.000 1.193 153 I CB 1.112 39.385 38.000 0.455 0.000 1.345 153 I HN 0.457 nan 8.210 nan 0.000 0.461 154 I N 3.272 124.109 120.570 0.445 0.000 2.822 154 I HA 0.680 4.864 4.170 0.024 0.000 0.312 154 I C 0.991 177.327 176.117 0.364 0.000 1.011 154 I CA -0.995 60.530 61.300 0.375 0.000 1.105 154 I CB 1.476 39.672 38.000 0.326 0.000 1.291 154 I HN 0.534 nan 8.210 nan 0.000 0.474 155 G N 1.930 110.815 108.800 0.143 0.000 2.634 155 G HA2 0.428 4.402 3.960 0.024 0.000 0.255 155 G HA3 0.428 4.402 3.960 0.024 0.000 0.255 155 G C -2.556 172.453 174.900 0.182 0.000 1.205 155 G CA -0.825 44.343 45.100 0.113 0.000 0.884 155 G HN 0.448 nan 8.290 nan 0.000 0.549 156 P HA 0.230 nan 4.420 nan 0.000 0.278 156 P C 0.283 177.615 177.300 0.053 0.000 1.266 156 P CA -0.403 62.805 63.100 0.180 0.000 0.807 156 P CB 1.607 33.417 31.700 0.184 0.000 1.094 157 S N -0.376 115.329 115.700 0.009 0.000 2.484 157 S HA 0.298 4.782 4.470 0.024 0.000 0.256 157 S C 1.858 176.439 174.600 -0.032 0.000 1.223 157 S CA 0.239 58.419 58.200 -0.034 0.000 1.002 157 S CB -0.443 62.738 63.200 -0.031 0.000 1.043 157 S HN 0.543 nan 8.310 nan 0.000 0.517 158 A N 0.792 123.607 122.820 -0.008 0.000 1.858 158 A HA -0.044 4.290 4.320 0.024 0.000 0.216 158 A C 0.962 178.538 177.584 -0.014 0.000 1.190 158 A CA 1.369 53.438 52.037 0.053 0.000 0.617 158 A CB -0.680 18.387 19.000 0.113 0.000 0.827 158 A HN 0.700 nan 8.150 nan 0.000 0.443 159 D N 0.023 120.366 120.400 -0.096 0.000 2.342 159 D HA 0.214 4.868 4.640 0.024 0.000 0.260 159 D C 0.968 177.013 176.300 -0.424 0.000 1.278 159 D CA -0.061 53.624 54.000 -0.525 0.000 0.910 159 D CB 0.143 40.743 40.800 -0.332 0.000 1.079 159 D HN 0.353 nan 8.370 nan 0.000 0.496 160 I N 3.984 124.247 120.570 -0.512 0.000 2.361 160 I HA -0.241 3.943 4.170 0.024 0.000 0.251 160 I C 1.956 177.726 176.117 -0.577 0.000 1.133 160 I CA 0.803 61.846 61.300 -0.429 0.000 1.413 160 I CB -0.070 37.607 38.000 -0.538 0.000 1.073 160 I HN 0.573 nan 8.210 nan 0.000 0.424 161 I N -1.637 118.546 120.570 -0.644 0.000 3.793 161 I HA 0.035 4.219 4.170 0.024 0.000 0.315 161 I C 1.129 176.726 176.117 -0.868 0.000 1.275 161 I CA 0.085 60.834 61.300 -0.919 0.000 1.214 161 I CB -0.463 37.271 38.000 -0.444 0.000 1.018 161 I HN 0.165 nan 8.210 nan 0.000 0.439 162 Q N 2.410 121.892 119.800 -0.530 0.000 2.402 162 Q HA 0.232 4.586 4.340 0.024 0.000 0.238 162 Q C -1.370 174.523 176.000 -0.178 0.000 1.126 162 Q CA -0.439 55.205 55.803 -0.266 0.000 0.904 162 Q CB 0.222 28.883 28.738 -0.128 0.000 1.357 162 Q HN 0.282 nan 8.270 nan 0.000 0.491 163 F N 2.839 122.900 119.950 0.185 0.000 2.391 163 F HA 0.368 4.909 4.527 0.024 0.000 0.359 163 F C 0.268 176.178 175.800 0.182 0.000 1.122 163 F CA -0.567 57.574 58.000 0.235 0.000 1.120 163 F CB 1.090 40.302 39.000 0.353 0.000 1.142 163 F HN 0.448 nan 8.300 nan 0.000 0.483 164 E N 0.840 121.244 120.200 0.340 0.000 2.378 164 E HA 0.543 4.907 4.350 0.024 0.000 0.265 164 E C -1.445 175.272 176.600 0.195 0.000 0.932 164 E CA -0.913 55.608 56.400 0.202 0.000 0.795 164 E CB 2.271 32.046 29.700 0.124 0.000 1.296 164 E HN 0.471 nan 8.360 nan 0.000 0.438 165 C N 1.808 121.181 119.300 0.123 0.000 2.281 165 C HA 0.464 4.938 4.460 0.024 0.000 0.325 165 C C -1.011 174.054 174.990 0.126 0.000 1.282 165 C CA -0.662 58.444 59.018 0.145 0.000 1.640 165 C CB -0.562 27.261 27.740 0.139 0.000 2.288 165 C HN 0.381 nan 8.230 nan 0.000 0.507 166 K N 3.528 124.026 120.400 0.163 0.000 2.324 166 K HA 0.638 4.973 4.320 0.024 0.000 0.253 166 K C -0.561 176.137 176.600 0.164 0.000 0.932 166 K CA -0.263 56.084 56.287 0.101 0.000 0.799 166 K CB 2.043 34.560 32.500 0.028 0.000 1.154 166 K HN 0.638 nan 8.250 nan 0.000 0.425 167 S N 1.175 116.926 115.700 0.084 0.000 2.759 167 S HA 0.659 5.143 4.470 0.024 0.000 0.310 167 S C -0.671 173.892 174.600 -0.062 0.000 1.123 167 S CA -0.651 57.653 58.200 0.174 0.000 0.959 167 S CB 0.674 64.003 63.200 0.215 0.000 1.172 167 S HN 0.355 nan 8.310 nan 0.000 0.539 168 F N 0.577 120.638 119.950 0.185 0.000 2.470 168 F HA 0.661 5.203 4.527 0.024 0.000 0.329 168 F C 1.064 176.948 175.800 0.140 0.000 1.072 168 F CA -0.325 57.748 58.000 0.121 0.000 0.989 168 F CB 1.186 40.245 39.000 0.099 0.000 1.193 168 F HN 0.711 nan 8.300 nan 0.000 0.481 169 G N -0.366 108.602 108.800 0.281 0.000 2.782 169 G HA2 0.464 4.439 3.960 0.024 0.000 0.201 169 G HA3 0.464 4.439 3.960 0.024 0.000 0.201 169 G C -1.742 173.324 174.900 0.276 0.000 1.374 169 G CA -0.093 45.144 45.100 0.228 0.000 1.039 169 G HN 0.649 nan 8.290 nan 0.000 0.576 170 H N -2.224 116.912 119.070 0.110 0.000 2.966 170 H HA 0.294 4.864 4.556 0.024 0.000 0.330 170 H C 1.142 176.511 175.328 0.067 0.000 1.292 170 H CA -0.173 55.929 56.048 0.090 0.000 1.127 170 H CB 1.924 31.741 29.762 0.092 0.000 1.863 170 H HN 0.443 nan 8.280 nan 0.000 0.543 171 E N 0.469 120.588 120.200 -0.135 0.000 2.076 171 E HA -0.054 4.311 4.350 0.024 0.000 0.190 171 E C 0.736 177.411 176.600 0.126 0.000 0.979 171 E CA 1.530 57.930 56.400 -0.000 0.000 0.807 171 E CB -0.024 29.640 29.700 -0.061 0.000 0.761 171 E HN 0.263 nan 8.360 nan 0.000 0.454 172 V N 1.290 121.373 119.914 0.281 0.000 2.599 172 V HA 0.101 4.235 4.120 0.024 0.000 0.237 172 V C 1.501 177.671 176.094 0.127 0.000 1.081 172 V CA 0.173 62.582 62.300 0.181 0.000 1.107 172 V CB -0.069 31.848 31.823 0.157 0.000 0.808 172 V HN 0.077 nan 8.190 nan 0.000 0.486 173 L N 2.354 123.641 121.223 0.107 0.000 2.416 173 L HA 0.203 4.557 4.340 0.024 0.000 0.272 173 L C 0.125 177.021 176.870 0.044 0.000 1.161 173 L CA 0.152 54.972 54.840 -0.033 0.000 0.845 173 L CB 0.017 41.950 42.059 -0.209 0.000 1.119 173 L HN 0.343 nan 8.230 nan 0.000 0.464 174 N N 5.146 123.859 118.700 0.021 0.000 2.719 174 N HA 0.141 4.895 4.740 0.024 0.000 0.243 174 N C 0.908 176.474 175.510 0.093 0.000 1.104 174 N CA -0.154 52.945 53.050 0.081 0.000 0.981 174 N CB 1.226 39.773 38.487 0.099 0.000 1.290 174 N HN 0.636 nan 8.380 nan 0.000 0.513 175 L N 0.527 121.826 121.223 0.128 0.000 2.353 175 L HA -0.138 4.216 4.340 0.024 0.000 0.220 175 L C 2.123 179.130 176.870 0.229 0.000 1.133 175 L CA 1.167 56.115 54.840 0.181 0.000 0.798 175 L CB -0.367 41.830 42.059 0.231 0.000 0.922 175 L HN 0.481 nan 8.230 nan 0.000 0.445 176 T N -4.185 110.499 114.554 0.216 0.000 3.069 176 T HA 0.109 4.473 4.350 0.024 0.000 0.252 176 T C 1.145 176.011 174.700 0.276 0.000 1.053 176 T CA -0.311 61.933 62.100 0.240 0.000 0.964 176 T CB 0.128 69.124 68.868 0.214 0.000 1.005 176 T HN 0.340 nan 8.240 nan 0.000 0.532 177 R N 1.321 122.001 120.500 0.299 0.000 2.599 177 R HA 0.295 4.649 4.340 0.024 0.000 0.451 177 R C 0.108 176.668 176.300 0.434 0.000 0.988 177 R CA -0.160 56.208 56.100 0.447 0.000 1.085 177 R CB 0.038 30.562 30.300 0.373 0.000 1.452 177 R HN 0.364 nan 8.270 nan 0.000 0.596 178 N N -0.755 118.128 118.700 0.306 0.000 2.110 178 N HA 0.043 4.798 4.740 0.024 0.000 0.230 178 N C 0.832 176.446 175.510 0.174 0.000 1.353 178 N CA 0.491 53.613 53.050 0.120 0.000 0.807 178 N CB 0.978 39.402 38.487 -0.105 0.000 1.244 178 N HN 0.222 nan 8.380 nan 0.000 0.504 179 G N 0.578 109.590 108.800 0.354 0.000 2.253 179 G HA2 -0.411 3.564 3.960 0.024 0.000 0.251 179 G HA3 -0.411 3.564 3.960 0.024 0.000 0.251 179 G C 0.625 175.729 174.900 0.339 0.000 0.998 179 G CA 0.517 45.827 45.100 0.350 0.000 0.621 179 G HN 0.250 nan 8.290 nan 0.000 0.524 180 Y N 1.076 121.418 120.300 0.071 0.000 2.114 180 Y HA 0.292 4.856 4.550 0.024 0.000 0.284 180 Y C 2.345 178.373 175.900 0.212 0.000 1.143 180 Y CA 2.006 60.176 58.100 0.116 0.000 1.135 180 Y CB -0.829 37.709 38.460 0.131 0.000 0.980 180 Y HN 1.514 nan 8.280 nan 0.000 0.499 181 G N -0.558 108.461 108.800 0.364 0.000 2.787 181 G HA2 0.101 4.075 3.960 0.024 0.000 0.685 181 G HA3 0.101 4.075 3.960 0.024 0.000 0.685 181 G C -0.384 174.671 174.900 0.258 0.000 1.437 181 G CA -0.200 45.057 45.100 0.263 0.000 0.872 181 G HN 0.863 nan 8.290 nan 0.000 0.566 182 S N -1.491 114.341 115.700 0.221 0.000 2.656 182 S HA 0.812 5.296 4.470 0.024 0.000 0.273 182 S C -0.298 174.425 174.600 0.205 0.000 1.168 182 S CA -0.018 58.317 58.200 0.226 0.000 0.817 182 S CB 1.582 64.939 63.200 0.262 0.000 1.146 182 S HN 1.556 nan 8.310 nan 0.000 0.475 183 T N 2.864 117.551 114.554 0.222 0.000 2.834 183 T HA 0.288 4.652 4.350 0.024 0.000 0.298 183 T C -0.373 174.433 174.700 0.176 0.000 0.966 183 T CA -0.142 62.050 62.100 0.153 0.000 1.141 183 T CB 0.170 69.104 68.868 0.110 0.000 0.905 183 T HN 0.427 nan 8.240 nan 0.000 0.535 184 Q N 2.252 122.096 119.800 0.074 0.000 2.259 184 Q HA 0.307 4.662 4.340 0.024 0.000 0.249 184 Q C -1.006 174.981 176.000 -0.021 0.000 0.914 184 Q CA -0.138 55.739 55.803 0.124 0.000 0.904 184 Q CB 0.861 29.678 28.738 0.132 0.000 1.213 184 Q HN 0.657 nan 8.270 nan 0.000 0.428 185 Y N 1.790 122.213 120.300 0.205 0.000 2.447 185 Y HA 0.402 4.967 4.550 0.024 0.000 0.325 185 Y C 0.073 176.095 175.900 0.205 0.000 0.976 185 Y CA -0.416 57.819 58.100 0.226 0.000 1.280 185 Y CB 0.846 39.447 38.460 0.236 0.000 1.104 185 Y HN 0.415 nan 8.280 nan 0.000 0.486 186 I N 4.665 125.424 120.570 0.315 0.000 2.312 186 I HA 0.315 4.499 4.170 0.024 0.000 0.291 186 I C 0.144 176.483 176.117 0.370 0.000 1.031 186 I CA -0.545 60.932 61.300 0.295 0.000 1.293 186 I CB 0.602 38.731 38.000 0.216 0.000 1.403 186 I HN 0.434 nan 8.210 nan 0.000 0.484 187 R N 5.825 126.546 120.500 0.368 0.000 2.401 187 R HA 0.469 4.824 4.340 0.024 0.000 0.299 187 R C -0.864 175.820 176.300 0.640 0.000 1.064 187 R CA 0.092 56.440 56.100 0.413 0.000 1.000 187 R CB 0.622 31.102 30.300 0.299 0.000 0.973 187 R HN 0.456 nan 8.270 nan 0.000 0.438 188 F N 0.350 120.576 119.950 0.459 0.000 2.779 188 F HA 0.476 5.018 4.527 0.024 0.000 0.316 188 F C -1.374 174.711 175.800 0.474 0.000 1.164 188 F CA -0.673 57.545 58.000 0.363 0.000 0.924 188 F CB 2.155 41.165 39.000 0.017 0.000 1.348 188 F HN 0.406 nan 8.300 nan 0.000 0.467 189 S N 2.429 117.403 115.700 -1.210 0.000 2.563 189 S HA 0.502 4.987 4.470 0.024 0.000 0.279 189 S C -2.916 170.888 174.600 -1.327 0.000 1.155 189 S CA -0.851 56.924 58.200 -0.709 0.000 0.928 189 S CB 2.266 65.618 63.200 0.253 0.000 1.107 189 S HN 0.460 nan 8.310 nan 0.000 0.462 190 P HA 0.373 nan 4.420 nan 0.000 0.254 190 P C -0.328 176.727 177.300 -0.409 0.000 1.494 190 P CA 0.049 62.828 63.100 -0.534 0.000 0.961 190 P CB 0.121 31.580 31.700 -0.401 0.000 1.493 191 D N -0.682 119.475 120.400 -0.405 0.000 2.398 191 D HA 0.206 4.860 4.640 0.024 0.000 0.210 191 D C 0.058 175.690 176.300 -1.113 0.000 1.094 191 D CA 0.468 54.075 54.000 -0.656 0.000 0.839 191 D CB 0.246 40.697 40.800 -0.582 0.000 0.963 191 D HN 0.166 nan 8.370 nan 0.000 0.506 192 F N -0.917 118.879 119.950 -0.256 0.000 2.662 192 F HA 0.569 5.110 4.527 0.024 0.000 0.312 192 F C 0.196 175.882 175.800 -0.190 0.000 1.113 192 F CA -0.960 56.892 58.000 -0.246 0.000 0.951 192 F CB 2.082 40.855 39.000 -0.379 0.000 1.344 192 F HN -0.462 nan 8.300 nan 0.000 0.462 193 T N 0.261 114.832 114.554 0.028 0.000 2.786 193 T HA 0.572 4.936 4.350 0.024 0.000 0.316 193 T C -1.676 172.997 174.700 -0.044 0.000 1.503 193 T CA -0.768 61.293 62.100 -0.065 0.000 1.019 193 T CB 0.650 69.629 68.868 0.186 0.000 1.415 193 T HN 0.338 nan 8.240 nan 0.000 0.496 194 F N 1.056 121.200 119.950 0.322 0.000 2.389 194 F HA 0.587 5.129 4.527 0.024 0.000 0.337 194 F C 1.383 177.395 175.800 0.354 0.000 1.112 194 F CA -0.269 57.901 58.000 0.283 0.000 1.192 194 F CB 1.009 40.167 39.000 0.263 0.000 1.185 194 F HN 0.618 nan 8.300 nan 0.000 0.552 195 G N 2.399 111.516 108.800 0.529 0.000 2.417 195 G HA2 0.585 4.559 3.960 0.024 0.000 0.320 195 G HA3 0.585 4.559 3.960 0.024 0.000 0.320 195 G C -1.519 173.577 174.900 0.326 0.000 1.204 195 G CA -0.446 44.927 45.100 0.454 0.000 0.923 195 G HN 0.563 nan 8.290 nan 0.000 0.466 196 F N -0.335 119.745 119.950 0.217 0.000 2.675 196 F HA 0.843 5.385 4.527 0.024 0.000 0.324 196 F C -0.551 175.344 175.800 0.158 0.000 1.106 196 F CA -1.760 56.328 58.000 0.147 0.000 0.970 196 F CB 1.530 40.596 39.000 0.111 0.000 1.385 196 F HN 0.355 nan 8.300 nan 0.000 0.489 197 E N 0.422 120.893 120.200 0.452 0.000 2.199 197 E HA 0.383 4.747 4.350 0.024 0.000 0.265 197 E C -1.525 175.307 176.600 0.387 0.000 0.882 197 E CA -0.892 55.711 56.400 0.339 0.000 0.759 197 E CB 2.150 31.968 29.700 0.196 0.000 1.148 197 E HN 0.515 nan 8.360 nan 0.000 0.412 198 E N 0.967 121.361 120.200 0.323 0.000 2.214 198 E HA 0.368 4.732 4.350 0.024 0.000 0.274 198 E C -0.873 175.780 176.600 0.089 0.000 0.977 198 E CA -0.477 56.006 56.400 0.138 0.000 0.827 198 E CB 1.172 30.866 29.700 -0.010 0.000 1.130 198 E HN 0.373 nan 8.360 nan 0.000 0.394 199 S N 4.070 119.796 115.700 0.044 0.000 2.694 199 S HA 0.262 4.746 4.470 0.024 0.000 0.232 199 S C -0.236 174.377 174.600 0.023 0.000 1.017 199 S CA -0.555 57.675 58.200 0.050 0.000 1.139 199 S CB 0.030 63.269 63.200 0.065 0.000 1.247 199 S HN 0.389 nan 8.310 nan 0.000 0.452 200 L N 0.580 121.802 121.223 -0.001 0.000 2.948 200 L HA 0.453 4.808 4.340 0.024 0.000 0.259 200 L C 1.415 178.289 176.870 0.008 0.000 1.136 200 L CA 0.620 55.457 54.840 -0.005 0.000 0.959 200 L CB -0.324 41.714 42.059 -0.035 0.000 1.370 200 L HN 0.389 nan 8.230 nan 0.000 0.552 201 E N 0.801 121.003 120.200 0.003 0.000 2.494 201 E HA 0.020 4.385 4.350 0.024 0.000 0.193 201 E C 1.873 178.511 176.600 0.064 0.000 1.074 201 E CA 0.425 56.849 56.400 0.039 0.000 0.867 201 E CB 0.445 30.170 29.700 0.041 0.000 0.924 201 E HN 0.355 nan 8.360 nan 0.000 0.502 202 V N -0.276 119.672 119.914 0.058 0.000 3.041 202 V HA -0.141 3.994 4.120 0.024 0.000 0.260 202 V C 1.520 177.648 176.094 0.057 0.000 1.105 202 V CA 1.455 63.794 62.300 0.066 0.000 1.125 202 V CB -0.686 31.181 31.823 0.073 0.000 0.730 202 V HN 0.063 nan 8.190 nan 0.000 0.479 203 D N -0.136 120.294 120.400 0.051 0.000 2.340 203 D HA -0.012 4.642 4.640 0.024 0.000 0.220 203 D C 1.663 177.987 176.300 0.040 0.000 1.039 203 D CA 1.201 55.228 54.000 0.045 0.000 0.866 203 D CB 0.503 41.329 40.800 0.044 0.000 0.913 203 D HN 0.503 nan 8.370 nan 0.000 0.523 204 T N -1.337 113.244 114.554 0.045 0.000 3.232 204 T HA 0.092 4.456 4.350 0.024 0.000 0.259 204 T C -0.217 174.502 174.700 0.033 0.000 0.987 204 T CA -0.294 61.829 62.100 0.038 0.000 1.096 204 T CB -0.195 68.702 68.868 0.047 0.000 1.131 204 T HN -0.018 nan 8.240 nan 0.000 0.445 205 N N 2.765 121.495 118.700 0.050 0.000 2.527 205 N HA 0.276 5.031 4.740 0.024 0.000 0.236 205 N C -2.359 173.184 175.510 0.055 0.000 0.999 205 N CA -1.183 51.892 53.050 0.041 0.000 0.935 205 N CB 1.878 40.394 38.487 0.047 0.000 1.132 205 N HN 0.339 nan 8.380 nan 0.000 0.511 206 P HA -0.018 nan 4.420 nan 0.000 0.215 206 P C 0.626 177.959 177.300 0.055 0.000 1.157 206 P CA 0.446 63.574 63.100 0.046 0.000 0.856 206 P CB 0.439 32.158 31.700 0.031 0.000 0.786 207 L N 0.587 121.838 121.223 0.046 0.000 2.391 207 L HA 0.199 4.553 4.340 0.024 0.000 0.249 207 L C -0.004 176.911 176.870 0.075 0.000 1.308 207 L CA -0.188 54.682 54.840 0.050 0.000 1.209 207 L CB -1.636 40.442 42.059 0.031 0.000 1.401 207 L HN -0.095 nan 8.230 nan 0.000 0.416 208 L N 1.154 122.442 121.223 0.108 0.000 2.317 208 L HA 0.741 5.095 4.340 0.024 0.000 0.281 208 L C 1.382 178.369 176.870 0.195 0.000 1.024 208 L CA -0.209 54.739 54.840 0.180 0.000 0.810 208 L CB 1.217 43.399 42.059 0.206 0.000 1.240 208 L HN 0.509 nan 8.230 nan 0.000 0.427 209 G N 3.474 112.403 108.800 0.216 0.000 3.615 209 G HA2 -0.175 3.799 3.960 0.024 0.000 0.463 209 G HA3 -0.175 3.799 3.960 0.024 0.000 0.463 209 G C 0.612 175.514 174.900 0.003 0.000 0.884 209 G CA 1.804 46.922 45.100 0.030 0.000 0.733 209 G HN 1.727 nan 8.290 nan 0.000 1.300 210 A N -3.765 119.025 122.820 -0.050 0.000 3.381 210 A HA 0.489 4.823 4.320 0.024 0.000 0.198 210 A C 1.730 179.301 177.584 -0.021 0.000 1.370 210 A CA 1.192 53.232 52.037 0.004 0.000 1.349 210 A CB -0.920 18.070 19.000 -0.018 0.000 1.095 210 A HN 2.041 nan 8.150 nan 0.000 0.475 211 G N 1.221 109.929 108.800 -0.153 0.000 3.152 211 G HA2 0.415 4.389 3.960 0.024 0.000 0.157 211 G HA3 0.415 4.389 3.960 0.024 0.000 0.157 211 G C 0.094 174.889 174.900 -0.176 0.000 1.786 211 G CA 0.037 45.055 45.100 -0.136 0.000 1.055 211 G HN 0.439 nan 8.290 nan 0.000 0.528 212 K N -0.475 119.783 120.400 -0.236 0.000 2.102 212 K HA 0.434 4.768 4.320 0.024 0.000 0.244 212 K C -1.402 174.819 176.600 -0.631 0.000 1.021 212 K CA 0.019 56.162 56.287 -0.241 0.000 0.913 212 K CB 0.981 33.439 32.500 -0.070 0.000 1.062 212 K HN 0.237 nan 8.250 nan 0.000 0.485 213 F N -0.442 119.111 119.950 -0.661 0.000 2.565 213 F HA 0.370 4.912 4.527 0.024 0.000 0.313 213 F C 0.079 175.279 175.800 -0.999 0.000 1.091 213 F CA -1.015 56.495 58.000 -0.817 0.000 0.915 213 F CB 1.824 40.369 39.000 -0.759 0.000 1.208 213 F HN 0.502 nan 8.300 nan 0.000 0.453 214 A N 1.535 123.954 122.820 -0.669 0.000 2.331 214 A HA 0.591 4.925 4.320 0.024 0.000 0.283 214 A C -0.051 177.580 177.584 0.079 0.000 1.142 214 A CA -0.414 51.367 52.037 -0.427 0.000 0.812 214 A CB 0.078 18.525 19.000 -0.922 0.000 1.074 214 A HN 0.718 nan 8.150 nan 0.000 0.497 215 T N 1.931 116.731 114.554 0.410 0.000 2.930 215 T HA 0.104 4.468 4.350 0.024 0.000 0.306 215 T C 0.108 175.070 174.700 0.437 0.000 1.045 215 T CA 0.147 62.576 62.100 0.549 0.000 1.134 215 T CB 0.359 69.572 68.868 0.574 0.000 0.961 215 T HN 0.667 nan 8.240 nan 0.000 0.545 216 D N 3.655 124.280 120.400 0.376 0.000 2.343 216 D HA 0.087 4.741 4.640 0.024 0.000 0.255 216 D C -1.115 175.288 176.300 0.172 0.000 1.187 216 D CA -2.211 51.988 54.000 0.332 0.000 0.875 216 D CB 1.456 42.381 40.800 0.207 0.000 1.136 216 D HN 0.173 nan 8.370 nan 0.000 0.469 217 P HA -0.173 nan 4.420 nan 0.000 0.219 217 P C 1.067 178.322 177.300 -0.074 0.000 1.146 217 P CA 0.898 64.025 63.100 0.045 0.000 0.808 217 P CB 0.217 31.881 31.700 -0.059 0.000 0.779 218 A N 0.335 123.028 122.820 -0.213 0.000 1.873 218 A HA -0.172 4.162 4.320 0.024 0.000 0.218 218 A C 2.516 179.845 177.584 -0.424 0.000 1.193 218 A CA 2.241 54.001 52.037 -0.463 0.000 0.629 218 A CB -1.727 16.739 19.000 -0.891 0.000 0.826 218 A HN 0.072 nan 8.150 nan 0.000 0.447 219 V N -0.084 119.664 119.914 -0.276 0.000 2.252 219 V HA -0.297 3.838 4.120 0.024 0.000 0.249 219 V C 2.781 178.863 176.094 -0.021 0.000 1.056 219 V CA 2.653 64.947 62.300 -0.010 0.000 1.022 219 V CB -1.455 30.444 31.823 0.127 0.000 0.641 219 V HN 0.661 nan 8.190 nan 0.000 0.445 220 T N 0.459 115.026 114.554 0.022 0.000 2.652 220 T HA -0.239 4.125 4.350 0.024 0.000 0.267 220 T C 1.893 176.493 174.700 -0.166 0.000 1.039 220 T CA 1.991 64.123 62.100 0.053 0.000 1.153 220 T CB -0.452 68.515 68.868 0.165 0.000 0.863 220 T HN 0.305 nan 8.240 nan 0.000 0.428 221 L N 1.461 122.421 121.223 -0.439 0.000 2.042 221 L HA 0.023 4.377 4.340 0.024 0.000 0.210 221 L C 2.619 179.132 176.870 -0.596 0.000 1.076 221 L CA 1.908 56.243 54.840 -0.842 0.000 0.749 221 L CB -1.139 40.334 42.059 -0.976 0.000 0.893 221 L HN 0.245 nan 8.230 nan 0.000 0.432 222 A N -1.219 121.288 122.820 -0.522 0.000 1.883 222 A HA -0.337 3.997 4.320 0.024 0.000 0.217 222 A C 2.276 179.633 177.584 -0.378 0.000 1.186 222 A CA 1.935 53.581 52.037 -0.651 0.000 0.624 222 A CB -1.186 17.177 19.000 -1.062 0.000 0.822 222 A HN 0.753 nan 8.150 nan 0.000 0.444 223 H N -0.343 118.567 119.070 -0.266 0.000 2.289 223 H HA -0.170 4.400 4.556 0.024 0.000 0.294 223 H C 1.988 177.281 175.328 -0.057 0.000 1.095 223 H CA 2.175 58.159 56.048 -0.107 0.000 1.256 223 H CB 0.056 29.834 29.762 0.026 0.000 1.359 223 H HN 0.393 nan 8.280 nan 0.000 0.487 224 E N 0.493 120.782 120.200 0.148 0.000 2.153 224 E HA -0.134 4.230 4.350 0.024 0.000 0.194 224 E C 2.626 179.234 176.600 0.015 0.000 0.988 224 E CA 0.782 57.285 56.400 0.172 0.000 0.811 224 E CB -0.245 29.487 29.700 0.054 0.000 0.746 224 E HN 0.571 nan 8.360 nan 0.000 0.466 225 L N 0.466 121.597 121.223 -0.153 0.000 2.017 225 L HA -0.183 4.171 4.340 0.024 0.000 0.208 225 L C 2.539 179.315 176.870 -0.157 0.000 1.073 225 L CA 0.973 55.715 54.840 -0.162 0.000 0.745 225 L CB -0.536 41.353 42.059 -0.283 0.000 0.894 225 L HN 0.116 nan 8.230 nan 0.000 0.432 226 I N -0.800 119.624 120.570 -0.243 0.000 2.113 226 I HA -0.429 3.756 4.170 0.024 0.000 0.242 226 I C 2.681 178.477 176.117 -0.536 0.000 1.057 226 I CA 1.552 62.634 61.300 -0.363 0.000 1.314 226 I CB -0.761 36.999 38.000 -0.399 0.000 1.022 226 I HN 0.378 nan 8.210 nan 0.000 0.408 227 H N 0.536 119.433 119.070 -0.288 0.000 2.353 227 H HA -0.117 4.453 4.556 0.024 0.000 0.300 227 H C 2.358 177.660 175.328 -0.043 0.000 1.090 227 H CA 1.692 57.666 56.048 -0.124 0.000 1.327 227 H CB -0.344 29.435 29.762 0.028 0.000 1.383 227 H HN 0.419 nan 8.280 nan 0.000 0.508 228 A N 0.981 123.866 122.820 0.108 0.000 1.859 228 A HA -0.175 4.159 4.320 0.024 0.000 0.217 228 A C 2.836 180.485 177.584 0.108 0.000 1.198 228 A CA 1.967 54.072 52.037 0.113 0.000 0.629 228 A CB -1.406 17.647 19.000 0.087 0.000 0.830 228 A HN 0.484 nan 8.150 nan 0.000 0.446 229 G N -0.554 108.281 108.800 0.059 0.000 2.719 229 G HA2 -0.393 3.582 3.960 0.024 0.000 0.219 229 G HA3 -0.393 3.582 3.960 0.024 0.000 0.219 229 G C 1.276 176.362 174.900 0.310 0.000 1.234 229 G CA 1.649 46.853 45.100 0.174 0.000 0.788 229 G HN 0.813 nan 8.290 nan 0.000 0.619 230 H N 0.296 119.496 119.070 0.217 0.000 2.255 230 H HA -0.145 4.425 4.556 0.024 0.000 0.290 230 H C 2.976 178.434 175.328 0.217 0.000 1.087 230 H CA 1.597 57.751 56.048 0.176 0.000 1.213 230 H CB -0.107 29.708 29.762 0.090 0.000 1.349 230 H HN 0.290 nan 8.280 nan 0.000 0.487 231 R N 0.473 121.171 120.500 0.330 0.000 2.152 231 R HA -0.099 4.256 4.340 0.024 0.000 0.232 231 R C 2.362 178.796 176.300 0.223 0.000 1.117 231 R CA 0.957 57.214 56.100 0.262 0.000 0.981 231 R CB -0.198 30.242 30.300 0.232 0.000 0.870 231 R HN 0.335 nan 8.270 nan 0.000 0.451 232 L N -0.781 120.547 121.223 0.175 0.000 2.109 232 L HA -0.121 4.234 4.340 0.024 0.000 0.207 232 L C 1.442 178.266 176.870 -0.076 0.000 1.086 232 L CA 1.139 55.996 54.840 0.029 0.000 0.760 232 L CB -0.077 41.937 42.059 -0.076 0.000 0.910 232 L HN 0.185 nan 8.230 nan 0.000 0.437 233 Y N -0.208 120.209 120.300 0.194 0.000 2.529 233 Y HA 0.121 4.686 4.550 0.024 0.000 0.290 233 Y C 1.692 177.782 175.900 0.316 0.000 1.177 233 Y CA 0.458 58.688 58.100 0.216 0.000 1.305 233 Y CB -0.058 38.543 38.460 0.234 0.000 1.047 233 Y HN 0.272 nan 8.280 nan 0.000 0.522 234 G N 1.814 110.837 108.800 0.372 0.000 2.221 234 G HA2 -0.313 3.662 3.960 0.024 0.000 0.265 234 G HA3 -0.313 3.662 3.960 0.024 0.000 0.265 234 G C 0.491 175.599 174.900 0.346 0.000 1.041 234 G CA 0.720 46.036 45.100 0.361 0.000 0.807 234 G HN 0.686 nan 8.290 nan 0.000 0.502 235 I N -3.154 117.527 120.570 0.185 0.000 3.833 235 I HA 0.778 4.962 4.170 0.024 0.000 0.328 235 I C 0.934 176.810 176.117 -0.400 0.000 1.554 235 I CA -0.200 60.887 61.300 -0.355 0.000 1.116 235 I CB 0.546 38.403 38.000 -0.237 0.000 1.182 235 I HN 0.342 nan 8.210 nan 0.000 0.459 236 A N 1.731 124.547 122.820 -0.008 0.000 2.388 236 A HA 0.584 4.919 4.320 0.024 0.000 0.257 236 A C 0.140 177.773 177.584 0.082 0.000 1.095 236 A CA -0.363 51.700 52.037 0.043 0.000 0.791 236 A CB 0.163 19.278 19.000 0.192 0.000 1.029 236 A HN 0.455 nan 8.150 nan 0.000 0.489 237 I N 2.993 123.560 120.570 -0.006 0.000 2.587 237 I HA -0.058 4.126 4.170 0.024 0.000 0.284 237 I C 1.257 177.395 176.117 0.035 0.000 1.134 237 I CA 0.023 61.288 61.300 -0.058 0.000 1.410 237 I CB 0.104 37.949 38.000 -0.258 0.000 1.392 237 I HN 0.842 nan 8.210 nan 0.000 0.545 238 N N 9.237 127.967 118.700 0.050 0.000 2.138 238 N HA -0.068 4.686 4.740 0.024 0.000 0.271 238 N C -1.868 173.678 175.510 0.060 0.000 1.272 238 N CA -0.793 52.293 53.050 0.060 0.000 0.819 238 N CB 0.847 39.349 38.487 0.025 0.000 1.052 238 N HN 0.342 nan 8.380 nan 0.000 0.479 239 P HA 0.143 nan 4.420 nan 0.000 0.261 239 P C -0.206 177.148 177.300 0.090 0.000 1.352 239 P CA 0.060 63.219 63.100 0.098 0.000 0.891 239 P CB 0.161 31.918 31.700 0.095 0.000 1.383 240 N N 0.246 118.986 118.700 0.066 0.000 2.467 240 N HA -0.027 4.727 4.740 0.024 0.000 0.184 240 N C 0.672 176.218 175.510 0.060 0.000 1.106 240 N CA 0.404 53.487 53.050 0.055 0.000 0.892 240 N CB -0.223 38.282 38.487 0.030 0.000 0.969 240 N HN 0.024 nan 8.380 nan 0.000 0.454 241 R N 1.297 121.837 120.500 0.067 0.000 2.391 241 R HA 0.227 4.582 4.340 0.024 0.000 0.310 241 R C -0.808 175.653 176.300 0.269 0.000 1.174 241 R CA -0.344 55.783 56.100 0.045 0.000 1.118 241 R CB -0.098 30.166 30.300 -0.061 0.000 1.134 241 R HN -0.110 nan 8.270 nan 0.000 0.524 242 V N 0.335 120.445 119.914 0.326 0.000 3.074 242 V HA 0.601 4.736 4.120 0.024 0.000 0.314 242 V C -0.627 175.790 176.094 0.538 0.000 1.117 242 V CA -1.179 61.390 62.300 0.447 0.000 1.014 242 V CB 1.792 33.771 31.823 0.260 0.000 1.057 242 V HN 0.476 nan 8.190 nan 0.000 0.438 243 F N 3.321 123.423 119.950 0.253 0.000 2.451 243 F HA 0.490 5.031 4.527 0.024 0.000 0.356 243 F C 0.851 176.707 175.800 0.092 0.000 1.178 243 F CA -0.732 57.346 58.000 0.130 0.000 1.210 243 F CB 0.182 39.172 39.000 -0.017 0.000 1.504 243 F HN 0.640 nan 8.300 nan 0.000 0.598 244 K N 3.765 124.087 120.400 -0.130 0.000 2.322 244 K HA 0.558 4.892 4.320 0.024 0.000 0.283 244 K C -0.942 175.529 176.600 -0.215 0.000 1.042 244 K CA -0.711 55.517 56.287 -0.099 0.000 0.958 244 K CB 1.161 33.619 32.500 -0.069 0.000 0.984 244 K HN 0.234 nan 8.250 nan 0.000 0.473 245 V N 2.482 122.293 119.914 -0.170 0.000 2.612 245 V HA 0.155 4.289 4.120 0.024 0.000 0.301 245 V C -0.078 175.863 176.094 -0.255 0.000 1.046 245 V CA -1.222 60.902 62.300 -0.294 0.000 0.946 245 V CB 1.315 32.960 31.823 -0.296 0.000 1.003 245 V HN 0.788 nan 8.190 nan 0.000 0.459 246 N N 1.393 119.916 118.700 -0.295 0.000 2.399 246 N HA 0.446 5.200 4.740 0.024 0.000 0.250 246 N C 0.665 176.028 175.510 -0.245 0.000 1.272 246 N CA 0.445 53.346 53.050 -0.248 0.000 0.928 246 N CB 0.599 38.924 38.487 -0.271 0.000 1.158 246 N HN 0.989 nan 8.380 nan 0.000 0.463 247 T N -4.454 109.975 114.554 -0.209 0.000 3.524 247 T HA 0.215 4.580 4.350 0.024 0.000 0.300 247 T C 0.180 174.788 174.700 -0.153 0.000 0.872 247 T CA -0.399 61.583 62.100 -0.198 0.000 0.888 247 T CB -0.440 68.317 68.868 -0.186 0.000 1.216 247 T HN 0.210 nan 8.240 nan 0.000 0.724 248 N N 1.780 120.391 118.700 -0.148 0.000 2.388 248 N HA 0.521 5.275 4.740 0.024 0.000 0.176 248 N C 0.787 176.248 175.510 -0.081 0.000 1.062 248 N CA 0.543 53.553 53.050 -0.066 0.000 0.895 248 N CB 0.493 38.948 38.487 -0.053 0.000 1.018 248 N HN 0.728 nan 8.380 nan 0.000 0.456 249 A N 0.279 122.907 122.820 -0.319 0.000 2.351 249 A HA 0.188 4.522 4.320 0.024 0.000 0.257 249 A C 0.880 178.025 177.584 -0.732 0.000 1.087 249 A CA -0.439 51.255 52.037 -0.572 0.000 0.798 249 A CB -0.065 18.250 19.000 -1.142 0.000 1.033 249 A HN 0.423 nan 8.150 nan 0.000 0.488 250 Y N 0.656 120.515 120.300 -0.734 0.000 2.241 250 Y HA -0.302 4.262 4.550 0.024 0.000 0.286 250 Y C 1.435 177.093 175.900 -0.403 0.000 1.166 250 Y CA 2.136 59.717 58.100 -0.865 0.000 1.203 250 Y CB -1.035 37.194 38.460 -0.385 0.000 0.977 250 Y HN 0.698 nan 8.280 nan 0.000 0.529 251 Y N -0.575 119.388 120.300 -0.562 0.000 2.509 251 Y HA 0.406 4.970 4.550 0.023 0.000 0.270 251 Y C 0.515 176.443 175.900 0.047 0.000 1.103 251 Y CA -1.352 56.705 58.100 -0.071 0.000 1.278 251 Y CB -0.943 37.471 38.460 -0.077 0.000 1.087 251 Y HN 0.052 nan 8.280 nan 0.000 0.542 252 E N 1.598 121.676 120.200 -0.204 0.000 2.398 252 E HA 0.095 4.459 4.350 0.024 0.000 0.263 252 E C -0.437 176.112 176.600 -0.084 0.000 1.046 252 E CA -0.199 56.164 56.400 -0.062 0.000 0.908 252 E CB 0.563 30.099 29.700 -0.272 0.000 0.963 252 E HN 0.227 nan 8.360 nan 0.000 0.431 253 M N 2.708 122.286 119.600 -0.036 0.000 2.364 253 M HA -0.064 4.430 4.480 0.024 0.000 0.342 253 M C 1.297 177.434 176.300 -0.272 0.000 1.601 253 M CA 0.301 55.535 55.300 -0.110 0.000 1.156 253 M CB 0.478 33.077 32.600 -0.002 0.000 1.912 253 M HN 0.670 nan 8.290 nan 0.000 0.460 254 S N 2.613 118.132 115.700 -0.303 0.000 2.472 254 S HA -0.210 4.274 4.470 0.024 0.000 0.292 254 S C 0.721 175.010 174.600 -0.519 0.000 1.175 254 S CA 1.811 59.811 58.200 -0.333 0.000 1.249 254 S CB -0.161 62.849 63.200 -0.316 0.000 1.208 254 S HN 0.968 nan 8.310 nan 0.000 0.442 255 G N -1.361 106.922 108.800 -0.861 0.000 2.548 255 G HA2 0.566 4.540 3.960 0.024 0.000 0.301 255 G HA3 0.566 4.540 3.960 0.024 0.000 0.301 255 G C -1.967 172.204 174.900 -1.215 0.000 1.349 255 G CA -0.278 43.938 45.100 -1.475 0.000 0.792 255 G HN 0.863 nan 8.290 nan 0.000 0.481 256 L N -0.757 119.896 121.223 -0.951 0.000 4.338 256 L HA 0.418 4.773 4.340 0.024 0.000 0.261 256 L C -1.262 175.746 176.870 0.229 0.000 1.038 256 L CA -0.408 54.408 54.840 -0.040 0.000 1.142 256 L CB 1.653 43.812 42.059 0.167 0.000 1.928 256 L HN 0.708 nan 8.230 nan 0.000 0.545 257 E N 4.160 124.582 120.200 0.371 0.000 2.115 257 E HA 0.640 5.004 4.350 0.024 0.000 0.282 257 E C -1.381 175.357 176.600 0.229 0.000 0.987 257 E CA -0.604 55.977 56.400 0.302 0.000 0.797 257 E CB 1.266 31.127 29.700 0.269 0.000 1.086 257 E HN 0.512 nan 8.360 nan 0.000 0.397 258 V N 3.403 123.440 119.914 0.206 0.000 2.378 258 V HA 0.249 4.384 4.120 0.024 0.000 0.288 258 V C 0.147 176.309 176.094 0.114 0.000 1.016 258 V CA -1.035 61.291 62.300 0.045 0.000 0.840 258 V CB 1.058 32.788 31.823 -0.156 0.000 0.994 258 V HN 0.669 nan 8.190 nan 0.000 0.431 259 S N 3.443 119.201 115.700 0.096 0.000 2.513 259 S HA 0.476 4.960 4.470 0.024 0.000 0.276 259 S C 0.690 175.407 174.600 0.195 0.000 1.254 259 S CA -0.382 57.933 58.200 0.192 0.000 1.053 259 S CB 0.646 63.947 63.200 0.169 0.000 0.958 259 S HN 0.421 nan 8.310 nan 0.000 0.491 260 F N 2.024 122.054 119.950 0.133 0.000 2.087 260 F HA -0.146 4.395 4.527 0.023 0.000 0.299 260 F C 2.591 178.436 175.800 0.075 0.000 1.100 260 F CA 2.290 60.376 58.000 0.143 0.000 1.226 260 F CB -0.756 38.365 39.000 0.203 0.000 0.983 260 F HN 0.828 nan 8.300 nan 0.000 0.479 261 E N 0.610 120.954 120.200 0.239 0.000 2.068 261 E HA -0.327 4.037 4.350 0.024 0.000 0.207 261 E C 2.043 178.760 176.600 0.196 0.000 1.032 261 E CA 2.054 58.551 56.400 0.162 0.000 0.839 261 E CB -0.439 29.378 29.700 0.194 0.000 0.758 261 E HN 0.309 nan 8.360 nan 0.000 0.457 262 E N -0.011 120.323 120.200 0.225 0.000 2.085 262 E HA -0.134 4.231 4.350 0.024 0.000 0.194 262 E C 2.125 178.791 176.600 0.109 0.000 0.994 262 E CA 1.357 57.906 56.400 0.248 0.000 0.801 262 E CB -0.431 29.377 29.700 0.179 0.000 0.743 262 E HN 0.433 nan 8.360 nan 0.000 0.453 263 L N 0.019 121.222 121.223 -0.032 0.000 1.955 263 L HA -0.240 4.114 4.340 0.024 0.000 0.213 263 L C 2.793 179.654 176.870 -0.016 0.000 1.072 263 L CA 2.022 56.777 54.840 -0.141 0.000 0.755 263 L CB -0.565 41.309 42.059 -0.308 0.000 0.888 263 L HN 0.189 nan 8.230 nan 0.000 0.432 264 R N -0.583 119.932 120.500 0.025 0.000 2.119 264 R HA -0.209 4.145 4.340 0.024 0.000 0.246 264 R C 2.125 178.445 176.300 0.033 0.000 1.146 264 R CA 2.309 58.428 56.100 0.032 0.000 0.962 264 R CB -0.328 29.977 30.300 0.009 0.000 0.863 264 R HN 0.322 nan 8.270 nan 0.000 0.442 265 T N 0.272 114.858 114.554 0.053 0.000 2.732 265 T HA -0.123 4.242 4.350 0.024 0.000 0.261 265 T C 1.303 175.972 174.700 -0.051 0.000 1.040 265 T CA 1.365 63.447 62.100 -0.030 0.000 1.145 265 T CB -0.395 68.300 68.868 -0.287 0.000 0.866 265 T HN 0.311 nan 8.240 nan 0.000 0.427 266 F N 1.788 121.717 119.950 -0.034 0.000 2.120 266 F HA 0.070 4.612 4.527 0.024 0.000 0.300 266 F C 1.570 177.373 175.800 0.006 0.000 1.095 266 F CA 1.516 59.540 58.000 0.041 0.000 1.249 266 F CB -0.646 38.389 39.000 0.058 0.000 0.995 266 F HN 0.420 nan 8.300 nan 0.000 0.480 267 G N -0.672 108.216 108.800 0.147 0.000 2.512 267 G HA2 0.132 4.107 3.960 0.024 0.000 0.240 267 G HA3 0.132 4.107 3.960 0.024 0.000 0.240 267 G C 0.776 175.789 174.900 0.190 0.000 1.246 267 G CA 0.060 45.195 45.100 0.059 0.000 0.919 267 G HN 1.482 nan 8.290 nan 0.000 0.577 268 G N -0.647 108.211 108.800 0.098 0.000 2.632 268 G HA2 -0.159 3.815 3.960 0.024 0.000 0.322 268 G HA3 -0.159 3.815 3.960 0.024 0.000 0.322 268 G C 0.955 175.959 174.900 0.173 0.000 1.326 268 G CA 2.897 48.095 45.100 0.163 0.000 0.986 268 G HN 2.683 nan 8.290 nan 0.000 0.541 269 H N -0.068 119.029 119.070 0.045 0.000 2.544 269 H HA 0.219 4.789 4.556 0.024 0.000 0.269 269 H C 1.912 177.087 175.328 -0.254 0.000 0.970 269 H CA 1.061 57.090 56.048 -0.032 0.000 1.219 269 H CB 0.088 29.839 29.762 -0.018 0.000 1.421 269 H HN 0.395 nan 8.280 nan 0.000 0.555 270 D N 1.675 121.800 120.400 -0.459 0.000 2.097 270 D HA -0.121 4.533 4.640 0.024 0.000 0.195 270 D C 2.326 178.169 176.300 -0.762 0.000 0.989 270 D CA 1.628 55.018 54.000 -1.016 0.000 0.827 270 D CB -0.654 39.764 40.800 -0.637 0.000 0.966 270 D HN 0.591 nan 8.370 nan 0.000 0.456 271 A N 0.426 123.088 122.820 -0.263 0.000 2.084 271 A HA -0.215 4.119 4.320 0.024 0.000 0.221 271 A C 1.892 179.449 177.584 -0.045 0.000 1.161 271 A CA 1.410 53.381 52.037 -0.110 0.000 0.653 271 A CB -0.449 18.555 19.000 0.007 0.000 0.802 271 A HN 0.139 nan 8.150 nan 0.000 0.457 272 K N -1.260 119.103 120.400 -0.061 0.000 2.444 272 K HA 0.141 4.475 4.320 0.024 0.000 0.193 272 K C 0.562 177.332 176.600 0.283 0.000 1.024 272 K CA 0.032 56.388 56.287 0.114 0.000 1.077 272 K CB -0.024 32.553 32.500 0.128 0.000 0.833 272 K HN 0.439 nan 8.250 nan 0.000 0.517 273 F N 0.926 120.801 119.950 -0.124 0.000 2.558 273 F HA 0.099 4.640 4.527 0.025 0.000 0.298 273 F C 0.787 176.703 175.800 0.193 0.000 1.119 273 F CA -0.132 57.833 58.000 -0.058 0.000 1.451 273 F CB -0.258 38.394 39.000 -0.581 0.000 1.091 273 F HN -0.127 nan 8.300 nan 0.000 0.563 274 I N 1.730 122.487 120.570 0.312 0.000 2.379 274 I HA 0.049 4.234 4.170 0.024 0.000 0.290 274 I C 0.216 176.573 176.117 0.400 0.000 1.063 274 I CA -0.800 60.745 61.300 0.409 0.000 1.351 274 I CB 0.162 38.410 38.000 0.414 0.000 1.410 274 I HN 0.055 nan 8.210 nan 0.000 0.505 275 D N 3.902 124.572 120.400 0.450 0.000 2.354 275 D HA 0.002 4.656 4.640 0.024 0.000 0.238 275 D C 0.944 177.411 176.300 0.279 0.000 1.250 275 D CA -0.383 53.844 54.000 0.378 0.000 0.911 275 D CB 0.808 41.877 40.800 0.449 0.000 1.163 275 D HN 0.350 nan 8.370 nan 0.000 0.456 276 S N -0.434 115.410 115.700 0.240 0.000 2.355 276 S HA -0.130 4.354 4.470 0.024 0.000 0.222 276 S C 1.637 176.298 174.600 0.101 0.000 1.031 276 S CA 0.419 58.720 58.200 0.168 0.000 0.993 276 S CB -0.538 62.753 63.200 0.151 0.000 0.859 276 S HN 0.550 nan 8.310 nan 0.000 0.453 277 L N 1.693 122.967 121.223 0.085 0.000 2.197 277 L HA -0.179 4.176 4.340 0.024 0.000 0.215 277 L C 2.070 178.903 176.870 -0.061 0.000 1.095 277 L CA 1.784 56.633 54.840 0.016 0.000 0.764 277 L CB -0.405 41.666 42.059 0.020 0.000 0.897 277 L HN 0.347 nan 8.230 nan 0.000 0.436 278 Q N -1.286 118.478 119.800 -0.061 0.000 2.165 278 Q HA -0.156 4.199 4.340 0.024 0.000 0.197 278 Q C 2.082 177.791 176.000 -0.484 0.000 0.952 278 Q CA 1.034 56.656 55.803 -0.302 0.000 0.848 278 Q CB -0.065 28.602 28.738 -0.119 0.000 0.931 278 Q HN 0.633 nan 8.270 nan 0.000 0.470 279 E N 0.924 121.083 120.200 -0.069 0.000 2.097 279 E HA -0.260 4.105 4.350 0.024 0.000 0.196 279 E C 1.406 178.060 176.600 0.089 0.000 1.000 279 E CA 1.326 57.798 56.400 0.120 0.000 0.804 279 E CB 0.096 29.931 29.700 0.224 0.000 0.740 279 E HN 0.237 nan 8.360 nan 0.000 0.454 280 N N 0.835 119.548 118.700 0.022 0.000 2.188 280 N HA -0.187 4.567 4.740 0.024 0.000 0.184 280 N C 1.654 177.158 175.510 -0.011 0.000 1.018 280 N CA 1.331 54.397 53.050 0.026 0.000 0.858 280 N CB -0.392 38.103 38.487 0.013 0.000 0.989 280 N HN 0.419 nan 8.380 nan 0.000 0.426 281 E N -0.097 120.024 120.200 -0.132 0.000 2.070 281 E HA -0.202 4.162 4.350 0.024 0.000 0.197 281 E C 1.194 177.822 176.600 0.048 0.000 1.004 281 E CA 1.087 57.410 56.400 -0.129 0.000 0.805 281 E CB -0.136 29.381 29.700 -0.306 0.000 0.744 281 E HN 0.163 nan 8.360 nan 0.000 0.451 282 F N 1.055 121.085 119.950 0.134 0.000 2.051 282 F HA -0.066 4.476 4.527 0.025 0.000 0.296 282 F C 2.766 178.734 175.800 0.280 0.000 1.122 282 F CA 1.521 59.676 58.000 0.258 0.000 1.201 282 F CB -1.318 37.935 39.000 0.422 0.000 0.978 282 F HN 0.048 nan 8.300 nan 0.000 0.472 283 R N 0.437 121.138 120.500 0.334 0.000 2.094 283 R HA -0.224 4.130 4.340 0.024 0.000 0.239 283 R C 2.254 178.581 176.300 0.046 0.000 1.137 283 R CA 1.755 57.801 56.100 -0.090 0.000 0.943 283 R CB -0.890 29.321 30.300 -0.147 0.000 0.850 283 R HN 0.287 nan 8.270 nan 0.000 0.433 284 L N 0.039 121.296 121.223 0.057 0.000 2.079 284 L HA -0.202 4.152 4.340 0.024 0.000 0.210 284 L C 2.135 179.060 176.870 0.091 0.000 1.081 284 L CA 1.761 56.623 54.840 0.037 0.000 0.752 284 L CB -0.629 41.446 42.059 0.026 0.000 0.896 284 L HN 0.322 nan 8.230 nan 0.000 0.433 285 Y N -1.303 118.973 120.300 -0.039 0.000 2.200 285 Y HA -0.294 4.271 4.550 0.024 0.000 0.290 285 Y C 2.055 177.827 175.900 -0.215 0.000 1.137 285 Y CA 1.925 59.928 58.100 -0.162 0.000 1.163 285 Y CB -0.426 37.883 38.460 -0.252 0.000 0.988 285 Y HN 0.277 nan 8.280 nan 0.000 0.518 286 Y N -2.122 118.247 120.300 0.115 0.000 2.337 286 Y HA -0.184 4.380 4.550 0.024 0.000 0.293 286 Y C 2.299 178.138 175.900 -0.101 0.000 1.123 286 Y CA 1.226 59.387 58.100 0.101 0.000 1.201 286 Y CB -0.804 37.861 38.460 0.341 0.000 1.011 286 Y HN 0.262 nan 8.280 nan 0.000 0.545 287 Y N 1.444 121.454 120.300 -0.484 0.000 2.097 287 Y HA -0.319 4.245 4.550 0.024 0.000 0.282 287 Y C 2.161 177.783 175.900 -0.464 0.000 1.152 287 Y CA 1.820 59.228 58.100 -1.153 0.000 1.136 287 Y CB -0.695 37.113 38.460 -1.086 0.000 0.975 287 Y HN 0.040 nan 8.280 nan 0.000 0.498 288 N N 0.413 118.941 118.700 -0.287 0.000 2.104 288 N HA -0.180 4.574 4.740 0.024 0.000 0.190 288 N C 1.610 176.953 175.510 -0.278 0.000 1.024 288 N CA 1.563 54.428 53.050 -0.307 0.000 0.853 288 N CB -0.223 38.162 38.487 -0.169 0.000 1.008 288 N HN 0.366 nan 8.380 nan 0.000 0.424 289 K N 0.210 120.474 120.400 -0.227 0.000 2.283 289 K HA -0.017 4.318 4.320 0.024 0.000 0.202 289 K C 1.762 178.371 176.600 0.016 0.000 1.048 289 K CA 0.373 56.583 56.287 -0.128 0.000 0.948 289 K CB -0.353 32.086 32.500 -0.101 0.000 0.742 289 K HN 0.170 nan 8.250 nan 0.000 0.458 290 F N 1.641 121.456 119.950 -0.225 0.000 2.163 290 F HA -0.032 4.510 4.527 0.024 0.000 0.297 290 F C 2.241 177.819 175.800 -0.371 0.000 1.094 290 F CA 0.942 58.786 58.000 -0.260 0.000 1.290 290 F CB -0.247 38.672 39.000 -0.136 0.000 1.017 290 F HN -0.063 nan 8.300 nan 0.000 0.483 291 K N 0.113 120.355 120.400 -0.263 0.000 2.063 291 K HA -0.197 4.137 4.320 0.024 0.000 0.208 291 K C 1.623 178.094 176.600 -0.215 0.000 1.048 291 K CA 1.752 57.862 56.287 -0.295 0.000 0.928 291 K CB -0.290 31.983 32.500 -0.378 0.000 0.713 291 K HN 0.184 nan 8.250 nan 0.000 0.442 292 D N 0.589 120.867 120.400 -0.203 0.000 2.178 292 D HA -0.112 4.543 4.640 0.024 0.000 0.202 292 D C 1.871 178.063 176.300 -0.179 0.000 0.974 292 D CA 0.899 54.806 54.000 -0.154 0.000 0.841 292 D CB -0.075 40.646 40.800 -0.131 0.000 0.953 292 D HN 0.236 nan 8.370 nan 0.000 0.478 293 I N 1.179 121.556 120.570 -0.322 0.000 2.233 293 I HA -0.214 3.970 4.170 0.024 0.000 0.243 293 I C 2.521 178.381 176.117 -0.429 0.000 1.093 293 I CA 0.769 61.731 61.300 -0.563 0.000 1.380 293 I CB -0.190 37.173 38.000 -1.061 0.000 1.067 293 I HN -0.088 nan 8.210 nan 0.000 0.413 294 A N 1.010 123.623 122.820 -0.344 0.000 1.873 294 A HA -0.304 4.030 4.320 0.024 0.000 0.218 294 A C 2.506 180.065 177.584 -0.041 0.000 1.193 294 A CA 2.790 54.723 52.037 -0.173 0.000 0.629 294 A CB -1.105 17.835 19.000 -0.101 0.000 0.826 294 A HN 0.542 nan 8.150 nan 0.000 0.447 295 S N -1.268 114.397 115.700 -0.058 0.000 2.402 295 S HA -0.139 4.345 4.470 0.024 0.000 0.229 295 S C 1.834 176.443 174.600 0.016 0.000 1.021 295 S CA 1.938 60.133 58.200 -0.009 0.000 0.974 295 S CB -1.164 62.020 63.200 -0.028 0.000 0.800 295 S HN 0.516 nan 8.310 nan 0.000 0.484 296 T N 2.843 117.398 114.554 0.002 0.000 2.708 296 T HA 0.039 4.403 4.350 0.024 0.000 0.266 296 T C 1.646 176.404 174.700 0.096 0.000 1.037 296 T CA 1.275 63.412 62.100 0.061 0.000 1.146 296 T CB -0.582 68.353 68.868 0.112 0.000 0.865 296 T HN 0.179 nan 8.240 nan 0.000 0.435 297 L N 2.311 123.595 121.223 0.102 0.000 1.978 297 L HA -0.157 4.197 4.340 0.024 0.000 0.218 297 L C 2.184 179.161 176.870 0.179 0.000 1.075 297 L CA 1.742 56.689 54.840 0.177 0.000 0.767 297 L CB -1.138 41.050 42.059 0.215 0.000 0.890 297 L HN 0.229 nan 8.230 nan 0.000 0.434 298 N N -0.371 118.429 118.700 0.165 0.000 2.258 298 N HA -0.208 4.546 4.740 0.024 0.000 0.187 298 N C 1.692 177.238 175.510 0.060 0.000 1.012 298 N CA 1.193 54.304 53.050 0.100 0.000 0.870 298 N CB -0.215 38.317 38.487 0.075 0.000 0.977 298 N HN 0.477 nan 8.380 nan 0.000 0.434 299 K N 0.195 120.632 120.400 0.062 0.000 2.243 299 K HA 0.191 4.525 4.320 0.024 0.000 0.201 299 K C 0.562 177.190 176.600 0.047 0.000 1.051 299 K CA 0.096 56.411 56.287 0.047 0.000 0.970 299 K CB 0.235 32.762 32.500 0.045 0.000 0.755 299 K HN 0.069 nan 8.250 nan 0.000 0.465 300 A N 1.862 124.718 122.820 0.061 0.000 2.454 300 A HA 0.073 4.407 4.320 0.024 0.000 0.260 300 A C 0.332 177.942 177.584 0.044 0.000 1.106 300 A CA 0.267 52.336 52.037 0.053 0.000 0.780 300 A CB 0.255 19.290 19.000 0.059 0.000 1.044 300 A HN 0.185 nan 8.150 nan 0.000 0.498 301 K N 0.655 121.076 120.400 0.035 0.000 2.477 301 K HA 0.143 4.477 4.320 0.024 0.000 0.208 301 K C -0.023 176.594 176.600 0.027 0.000 1.117 301 K CA 0.609 56.913 56.287 0.027 0.000 1.039 301 K CB 0.626 33.139 32.500 0.021 0.000 0.937 301 K HN 0.800 nan 8.250 nan 0.000 0.570 302 S N 0.059 115.778 115.700 0.032 0.000 2.546 302 S HA 0.594 5.078 4.470 0.024 0.000 0.274 302 S C -1.177 173.449 174.600 0.043 0.000 1.121 302 S CA -0.882 57.338 58.200 0.034 0.000 0.887 302 S CB 1.893 65.113 63.200 0.034 0.000 1.094 302 S HN 0.168 nan 8.310 nan 0.000 0.474 303 I N 2.871 123.470 120.570 0.048 0.000 2.608 303 I HA 0.804 4.988 4.170 0.024 0.000 0.295 303 I C -1.063 175.111 176.117 0.095 0.000 1.049 303 I CA -0.967 60.376 61.300 0.071 0.000 1.063 303 I CB 1.923 39.945 38.000 0.036 0.000 1.248 303 I HN 0.867 nan 8.210 nan 0.000 0.424 304 V N 2.943 122.947 119.914 0.150 0.000 3.074 304 V HA 0.902 5.037 4.120 0.024 0.000 0.314 304 V C 0.543 176.753 176.094 0.195 0.000 1.117 304 V CA -0.001 62.380 62.300 0.135 0.000 1.014 304 V CB 1.053 32.931 31.823 0.092 0.000 1.057 304 V HN 1.212 nan 8.190 nan 0.000 0.438 305 G N 0.167 109.041 108.800 0.123 0.000 2.160 305 G HA2 -0.087 3.887 3.960 0.024 0.000 0.251 305 G HA3 -0.087 3.887 3.960 0.024 0.000 0.251 305 G C 0.238 175.228 174.900 0.150 0.000 1.008 305 G CA 1.037 46.199 45.100 0.102 0.000 0.724 305 G HN 1.869 nan 8.290 nan 0.000 0.514 306 T N -2.427 112.221 114.554 0.156 0.000 2.792 306 T HA 0.631 4.995 4.350 0.024 0.000 0.303 306 T C 1.135 175.877 174.700 0.070 0.000 1.310 306 T CA 1.090 63.276 62.100 0.144 0.000 1.007 306 T CB 1.129 70.133 68.868 0.226 0.000 1.335 306 T HN 0.977 nan 8.240 nan 0.000 0.504 307 T N -0.066 114.510 114.554 0.036 0.000 3.069 307 T HA 0.620 4.985 4.350 0.024 0.000 0.252 307 T C 0.903 175.586 174.700 -0.028 0.000 1.053 307 T CA 0.317 62.417 62.100 0.001 0.000 0.964 307 T CB -0.062 68.798 68.868 -0.013 0.000 1.005 307 T HN 0.830 nan 8.240 nan 0.000 0.532 308 A N 2.024 124.824 122.820 -0.033 0.000 2.280 308 A HA 0.663 4.998 4.320 0.024 0.000 0.268 308 A C 0.603 178.169 177.584 -0.029 0.000 1.111 308 A CA -0.474 51.510 52.037 -0.089 0.000 0.814 308 A CB 0.267 19.197 19.000 -0.117 0.000 1.093 308 A HN 0.660 nan 8.150 nan 0.000 0.498 309 S N 0.095 115.795 115.700 -0.001 0.000 2.480 309 S HA 0.396 4.880 4.470 0.024 0.000 0.286 309 S C 0.941 175.583 174.600 0.069 0.000 1.180 309 S CA -0.587 57.639 58.200 0.045 0.000 1.075 309 S CB 1.109 64.344 63.200 0.058 0.000 0.996 309 S HN 0.761 nan 8.310 nan 0.000 0.487 310 L N 1.376 122.620 121.223 0.034 0.000 2.051 310 L HA -0.228 4.126 4.340 0.024 0.000 0.214 310 L C 2.861 179.756 176.870 0.042 0.000 1.076 310 L CA 1.873 56.726 54.840 0.022 0.000 0.758 310 L CB -0.273 41.801 42.059 0.026 0.000 0.890 310 L HN 0.926 nan 8.230 nan 0.000 0.433 311 Q N -0.680 119.154 119.800 0.056 0.000 2.046 311 Q HA -0.287 4.068 4.340 0.024 0.000 0.200 311 Q C 2.158 178.192 176.000 0.058 0.000 0.975 311 Q CA 2.219 58.058 55.803 0.061 0.000 0.836 311 Q CB -0.640 28.126 28.738 0.046 0.000 0.896 311 Q HN 0.673 nan 8.270 nan 0.000 0.428 312 Y N 1.001 121.285 120.300 -0.026 0.000 2.069 312 Y HA -0.344 4.220 4.550 0.024 0.000 0.278 312 Y C 2.377 178.221 175.900 -0.092 0.000 1.175 312 Y CA 2.717 60.786 58.100 -0.051 0.000 1.134 312 Y CB -0.464 37.957 38.460 -0.066 0.000 0.965 312 Y HN 0.225 nan 8.280 nan 0.000 0.498 313 M N 0.842 120.370 119.600 -0.120 0.000 2.099 313 M HA -0.137 4.357 4.480 0.024 0.000 0.262 313 M C 2.117 178.297 176.300 -0.199 0.000 1.067 313 M CA 1.842 56.962 55.300 -0.300 0.000 1.124 313 M CB -0.534 31.896 32.600 -0.283 0.000 1.353 313 M HN 0.194 nan 8.290 nan 0.000 0.410 314 K N -0.117 120.297 120.400 0.024 0.000 2.052 314 K HA -0.261 4.073 4.320 0.024 0.000 0.215 314 K C 2.046 178.738 176.600 0.153 0.000 1.053 314 K CA 1.915 58.340 56.287 0.230 0.000 0.934 314 K CB -0.663 32.020 32.500 0.305 0.000 0.717 314 K HN 0.563 nan 8.250 nan 0.000 0.450 315 N N 0.920 119.632 118.700 0.019 0.000 2.289 315 N HA -0.132 4.622 4.740 0.024 0.000 0.184 315 N C 1.642 177.010 175.510 -0.237 0.000 1.016 315 N CA 0.779 53.811 53.050 -0.029 0.000 0.872 315 N CB 0.142 38.592 38.487 -0.062 0.000 0.973 315 N HN -0.039 nan 8.380 nan 0.000 0.433 316 V N 0.681 120.290 119.914 -0.507 0.000 2.324 316 V HA -0.245 3.889 4.120 0.024 0.000 0.250 316 V C 1.715 177.463 176.094 -0.577 0.000 1.060 316 V CA 1.764 63.650 62.300 -0.689 0.000 1.042 316 V CB -0.704 30.491 31.823 -1.045 0.000 0.650 316 V HN 0.261 nan 8.190 nan 0.000 0.450 317 F N -0.239 119.656 119.950 -0.090 0.000 2.317 317 F HA 0.037 4.578 4.527 0.024 0.000 0.293 317 F C 2.364 178.127 175.800 -0.062 0.000 1.085 317 F CA 1.208 59.217 58.000 0.016 0.000 1.390 317 F CB -0.433 38.636 39.000 0.115 0.000 1.077 317 F HN -0.049 nan 8.300 nan 0.000 0.517 318 K N 1.091 121.419 120.400 -0.119 0.000 2.144 318 K HA -0.274 4.060 4.320 0.024 0.000 0.209 318 K C 1.655 178.246 176.600 -0.013 0.000 1.047 318 K CA 2.102 58.265 56.287 -0.206 0.000 0.927 318 K CB -0.202 32.299 32.500 0.002 0.000 0.716 318 K HN 0.374 nan 8.250 nan 0.000 0.454 319 E N -0.154 120.031 120.200 -0.025 0.000 2.170 319 E HA -0.110 4.254 4.350 0.024 0.000 0.191 319 E C 1.985 178.579 176.600 -0.011 0.000 0.981 319 E CA 0.507 56.890 56.400 -0.028 0.000 0.830 319 E CB 0.172 29.827 29.700 -0.075 0.000 0.775 319 E HN 0.279 nan 8.360 nan 0.000 0.470 320 K N 0.294 120.687 120.400 -0.012 0.000 2.001 320 K HA -0.124 4.210 4.320 0.024 0.000 0.208 320 K C 1.055 177.621 176.600 -0.056 0.000 1.048 320 K CA 1.228 57.476 56.287 -0.064 0.000 0.932 320 K CB 0.039 32.395 32.500 -0.240 0.000 0.715 320 K HN 0.119 nan 8.250 nan 0.000 0.437 321 Y N 0.705 121.096 120.300 0.153 0.000 2.468 321 Y HA 0.280 4.844 4.550 0.024 0.000 0.268 321 Y C 0.068 176.112 175.900 0.240 0.000 1.177 321 Y CA -0.180 58.049 58.100 0.214 0.000 1.265 321 Y CB 0.170 38.583 38.460 -0.079 0.000 1.103 321 Y HN 0.010 nan 8.280 nan 0.000 0.522 322 L N 0.354 121.709 121.223 0.220 0.000 3.742 322 L HA -0.300 4.054 4.340 0.024 0.000 0.431 322 L C -0.395 176.582 176.870 0.178 0.000 1.220 322 L CA 0.103 55.035 54.840 0.154 0.000 0.863 322 L CB -1.802 40.333 42.059 0.126 0.000 1.751 322 L HN 0.266 nan 8.230 nan 0.000 0.922 323 L N -0.630 120.676 121.223 0.137 0.000 2.473 323 L HA 0.184 4.538 4.340 0.024 0.000 0.268 323 L C 1.041 178.013 176.870 0.169 0.000 1.215 323 L CA 0.234 55.136 54.840 0.104 0.000 0.823 323 L CB 0.744 42.723 42.059 -0.133 0.000 1.099 323 L HN 0.118 nan 8.230 nan 0.000 0.483 324 S N 0.730 116.558 115.700 0.214 0.000 2.442 324 S HA 0.230 4.714 4.470 0.024 0.000 0.297 324 S C -0.351 174.427 174.600 0.297 0.000 1.131 324 S CA -0.625 57.704 58.200 0.215 0.000 1.092 324 S CB 1.273 64.561 63.200 0.148 0.000 0.998 324 S HN 0.505 nan 8.310 nan 0.000 0.478 325 E N 2.522 122.867 120.200 0.242 0.000 2.197 325 E HA 0.212 4.577 4.350 0.024 0.000 0.281 325 E C -0.285 176.326 176.600 0.018 0.000 0.995 325 E CA -0.730 55.723 56.400 0.089 0.000 0.808 325 E CB 0.642 30.366 29.700 0.040 0.000 1.093 325 E HN 0.685 nan 8.360 nan 0.000 0.394 326 D N 2.203 122.583 120.400 -0.034 0.000 2.399 326 D HA -0.021 4.633 4.640 0.024 0.000 0.288 326 D C 1.135 177.407 176.300 -0.046 0.000 1.197 326 D CA 0.415 54.400 54.000 -0.024 0.000 1.081 326 D CB -0.388 40.402 40.800 -0.016 0.000 1.139 326 D HN 0.454 nan 8.370 nan 0.000 0.554 327 T N -2.951 111.581 114.554 -0.037 0.000 2.978 327 T HA -0.050 4.314 4.350 0.024 0.000 0.262 327 T C 1.865 176.532 174.700 -0.055 0.000 1.063 327 T CA 1.176 63.253 62.100 -0.037 0.000 1.140 327 T CB -0.766 68.089 68.868 -0.022 0.000 0.886 327 T HN 0.411 nan 8.240 nan 0.000 0.470 328 S N 0.946 116.608 115.700 -0.062 0.000 2.489 328 S HA 0.383 4.867 4.470 0.024 0.000 0.228 328 S C 2.038 176.571 174.600 -0.112 0.000 0.995 328 S CA 0.464 58.622 58.200 -0.070 0.000 0.934 328 S CB -0.587 62.581 63.200 -0.053 0.000 0.771 328 S HN 1.136 nan 8.310 nan 0.000 0.522 329 G N 1.021 109.717 108.800 -0.174 0.000 2.179 329 G HA2 -0.251 3.724 3.960 0.024 0.000 0.220 329 G HA3 -0.251 3.724 3.960 0.024 0.000 0.220 329 G C -0.025 174.626 174.900 -0.415 0.000 0.990 329 G CA -0.006 44.910 45.100 -0.306 0.000 0.646 329 G HN 0.607 nan 8.290 nan 0.000 0.517 330 K N 0.598 120.855 120.400 -0.237 0.000 2.412 330 K HA 0.442 4.776 4.320 0.024 0.000 0.284 330 K C -0.362 176.145 176.600 -0.156 0.000 1.046 330 K CA -0.325 55.869 56.287 -0.155 0.000 0.999 330 K CB -0.061 32.404 32.500 -0.058 0.000 0.941 330 K HN 0.003 nan 8.250 nan 0.000 0.474 331 F N 1.779 121.734 119.950 0.008 0.000 2.379 331 F HA 0.258 4.800 4.527 0.024 0.000 0.332 331 F C 0.759 176.559 175.800 0.000 0.000 1.096 331 F CA -0.082 57.925 58.000 0.011 0.000 1.105 331 F CB 1.635 40.640 39.000 0.009 0.000 1.189 331 F HN 0.589 nan 8.300 nan 0.000 0.515 332 S N -0.017 115.831 115.700 0.246 0.000 2.625 332 S HA 0.736 5.220 4.470 0.024 0.000 0.271 332 S C -1.575 173.090 174.600 0.107 0.000 1.161 332 S CA -1.070 57.202 58.200 0.119 0.000 0.820 332 S CB 1.335 64.581 63.200 0.076 0.000 1.137 332 S HN 0.265 nan 8.310 nan 0.000 0.470 333 V N 2.070 122.014 119.914 0.050 0.000 2.383 333 V HA 0.375 4.510 4.120 0.024 0.000 0.275 333 V C -0.243 175.950 176.094 0.164 0.000 1.036 333 V CA -0.454 61.897 62.300 0.085 0.000 0.889 333 V CB 1.074 32.845 31.823 -0.087 0.000 0.985 333 V HN 0.930 nan 8.190 nan 0.000 0.459 334 D N 4.210 124.731 120.400 0.202 0.000 2.352 334 D HA 0.095 4.749 4.640 0.024 0.000 0.245 334 D C 1.041 177.494 176.300 0.256 0.000 1.224 334 D CA -0.254 53.864 54.000 0.197 0.000 0.879 334 D CB 1.337 42.227 40.800 0.150 0.000 1.057 334 D HN 0.530 nan 8.370 nan 0.000 0.491 335 K N 3.846 124.394 120.400 0.247 0.000 2.049 335 K HA -0.243 4.091 4.320 0.024 0.000 0.219 335 K C 1.735 178.434 176.600 0.164 0.000 1.056 335 K CA 1.385 57.759 56.287 0.145 0.000 0.946 335 K CB -0.437 32.026 32.500 -0.060 0.000 0.723 335 K HN 0.346 nan 8.250 nan 0.000 0.453 336 L N 1.231 122.523 121.223 0.116 0.000 1.971 336 L HA -0.206 4.148 4.340 0.024 0.000 0.215 336 L C 2.230 179.172 176.870 0.119 0.000 1.072 336 L CA 2.026 56.924 54.840 0.097 0.000 0.758 336 L CB -0.986 41.113 42.059 0.066 0.000 0.889 336 L HN 0.276 nan 8.230 nan 0.000 0.433 337 K N -1.627 118.855 120.400 0.136 0.000 2.009 337 K HA -0.251 4.083 4.320 0.024 0.000 0.210 337 K C 2.102 178.796 176.600 0.156 0.000 1.049 337 K CA 1.850 58.213 56.287 0.127 0.000 0.929 337 K CB -0.514 32.066 32.500 0.133 0.000 0.714 337 K HN 0.148 nan 8.250 nan 0.000 0.440 338 F N 2.758 122.762 119.950 0.090 0.000 2.025 338 F HA -0.325 4.216 4.527 0.023 0.000 0.297 338 F C 1.810 177.635 175.800 0.042 0.000 1.132 338 F CA 1.882 59.917 58.000 0.058 0.000 1.191 338 F CB -0.430 38.627 39.000 0.095 0.000 0.963 338 F HN 0.059 nan 8.300 nan 0.000 0.481 339 D N 0.479 120.992 120.400 0.188 0.000 2.248 339 D HA -0.260 4.395 4.640 0.024 0.000 0.191 339 D C 2.209 178.500 176.300 -0.016 0.000 1.013 339 D CA 1.889 55.933 54.000 0.073 0.000 0.883 339 D CB -0.304 40.566 40.800 0.116 0.000 0.915 339 D HN 0.410 nan 8.370 nan 0.000 0.448 340 K N -0.534 119.872 120.400 0.009 0.000 2.007 340 K HA -0.076 4.258 4.320 0.024 0.000 0.206 340 K C 2.118 178.704 176.600 -0.022 0.000 1.047 340 K CA 0.238 56.565 56.287 0.067 0.000 0.937 340 K CB -0.320 32.242 32.500 0.104 0.000 0.718 340 K HN 0.044 nan 8.250 nan 0.000 0.438 341 L N 0.787 121.942 121.223 -0.114 0.000 1.990 341 L HA -0.264 4.091 4.340 0.024 0.000 0.213 341 L C 2.236 178.915 176.870 -0.319 0.000 1.072 341 L CA 1.814 56.530 54.840 -0.208 0.000 0.755 341 L CB -0.851 41.089 42.059 -0.199 0.000 0.889 341 L HN 0.197 nan 8.230 nan 0.000 0.432 342 Y N 0.457 120.393 120.300 -0.608 0.000 2.193 342 Y HA -0.345 4.219 4.550 0.024 0.000 0.285 342 Y C 2.693 178.383 175.900 -0.349 0.000 1.166 342 Y CA 2.510 60.258 58.100 -0.586 0.000 1.181 342 Y CB -0.230 37.698 38.460 -0.886 0.000 0.976 342 Y HN 0.316 nan 8.280 nan 0.000 0.520 343 K N -0.276 120.003 120.400 -0.200 0.000 2.148 343 K HA -0.208 4.126 4.320 0.024 0.000 0.204 343 K C 2.226 178.586 176.600 -0.400 0.000 1.050 343 K CA 1.519 57.673 56.287 -0.222 0.000 0.942 343 K CB -0.222 32.230 32.500 -0.080 0.000 0.724 343 K HN 0.462 nan 8.250 nan 0.000 0.446 344 M N 0.349 119.672 119.600 -0.462 0.000 2.334 344 M HA -0.026 4.468 4.480 0.024 0.000 0.266 344 M C 1.481 177.259 176.300 -0.870 0.000 1.082 344 M CA 1.000 55.888 55.300 -0.687 0.000 1.141 344 M CB 0.260 32.520 32.600 -0.567 0.000 1.380 344 M HN 0.140 nan 8.290 nan 0.000 0.440 345 L N -0.535 120.318 121.223 -0.616 0.000 2.240 345 L HA -0.071 4.283 4.340 0.024 0.000 0.211 345 L C 2.270 179.031 176.870 -0.181 0.000 1.106 345 L CA 1.501 56.100 54.840 -0.401 0.000 0.793 345 L CB -0.443 41.471 42.059 -0.242 0.000 0.927 345 L HN 0.455 nan 8.230 nan 0.000 0.446 346 T N -5.727 108.600 114.554 -0.379 0.000 2.978 346 T HA 0.104 4.468 4.350 0.024 0.000 0.248 346 T C 1.483 176.052 174.700 -0.218 0.000 1.018 346 T CA -0.082 61.818 62.100 -0.333 0.000 1.026 346 T CB 0.331 68.786 68.868 -0.689 0.000 1.032 346 T HN 0.172 nan 8.240 nan 0.000 0.485 347 E N -0.019 120.024 120.200 -0.261 0.000 2.434 347 E HA 0.406 4.771 4.350 0.024 0.000 0.207 347 E C 1.545 178.025 176.600 -0.201 0.000 0.929 347 E CA 0.010 56.301 56.400 -0.180 0.000 1.001 347 E CB 0.530 30.142 29.700 -0.146 0.000 1.016 347 E HN 0.434 nan 8.360 nan 0.000 0.502 348 I N 0.217 120.602 120.570 -0.310 0.000 2.810 348 I HA -0.050 4.134 4.170 0.024 0.000 0.262 348 I C 0.068 176.107 176.117 -0.131 0.000 1.131 348 I CA 0.184 61.301 61.300 -0.305 0.000 1.453 348 I CB 0.453 38.152 38.000 -0.502 0.000 1.161 348 I HN -0.004 nan 8.210 nan 0.000 0.444 349 Y N 3.098 123.262 120.300 -0.226 0.000 2.620 349 Y HA 0.215 4.780 4.550 0.024 0.000 0.352 349 Y C 0.710 176.526 175.900 -0.141 0.000 1.140 349 Y CA -1.010 56.974 58.100 -0.194 0.000 1.529 349 Y CB -1.117 37.269 38.460 -0.122 0.000 1.321 349 Y HN 0.051 nan 8.280 nan 0.000 0.501 350 T N -2.229 112.321 114.554 -0.006 0.000 2.906 350 T HA 0.300 4.664 4.350 0.024 0.000 0.295 350 T C 0.921 175.609 174.700 -0.019 0.000 1.061 350 T CA -0.910 61.157 62.100 -0.055 0.000 1.000 350 T CB 2.279 71.087 68.868 -0.100 0.000 1.103 350 T HN 0.480 nan 8.240 nan 0.000 0.486 351 E N 1.197 121.305 120.200 -0.153 0.000 2.070 351 E HA -0.284 4.080 4.350 0.024 0.000 0.197 351 E C 1.344 177.818 176.600 -0.210 0.000 1.004 351 E CA 2.264 58.562 56.400 -0.170 0.000 0.805 351 E CB -0.264 29.189 29.700 -0.411 0.000 0.744 351 E HN 0.840 nan 8.360 nan 0.000 0.451 352 D N -0.287 119.863 120.400 -0.417 0.000 2.092 352 D HA -0.190 4.464 4.640 0.024 0.000 0.193 352 D C 1.823 178.062 176.300 -0.103 0.000 0.994 352 D CA 1.716 55.559 54.000 -0.262 0.000 0.828 352 D CB -0.086 40.596 40.800 -0.197 0.000 0.963 352 D HN 0.178 nan 8.370 nan 0.000 0.450 353 N N -0.453 118.184 118.700 -0.104 0.000 2.104 353 N HA -0.173 4.582 4.740 0.024 0.000 0.190 353 N C 1.833 177.317 175.510 -0.044 0.000 1.024 353 N CA 0.740 53.737 53.050 -0.089 0.000 0.853 353 N CB -0.556 37.845 38.487 -0.143 0.000 1.008 353 N HN 0.321 nan 8.380 nan 0.000 0.424 354 F N 1.017 120.943 119.950 -0.041 0.000 2.161 354 F HA -0.146 4.396 4.527 0.024 0.000 0.300 354 F C 2.309 178.080 175.800 -0.049 0.000 1.089 354 F CA 0.634 58.561 58.000 -0.121 0.000 1.282 354 F CB -0.176 38.762 39.000 -0.104 0.000 1.010 354 F HN -0.153 nan 8.300 nan 0.000 0.485 355 V N -0.103 119.932 119.914 0.202 0.000 2.759 355 V HA -0.244 3.891 4.120 0.024 0.000 0.256 355 V C 2.004 178.151 176.094 0.088 0.000 1.080 355 V CA 1.524 63.930 62.300 0.177 0.000 1.101 355 V CB -0.555 31.317 31.823 0.082 0.000 0.698 355 V HN 0.303 nan 8.190 nan 0.000 0.477 356 K N -0.802 119.596 120.400 -0.003 0.000 2.155 356 K HA -0.053 4.282 4.320 0.024 0.000 0.203 356 K C 2.010 178.470 176.600 -0.232 0.000 1.052 356 K CA 1.294 57.501 56.287 -0.134 0.000 0.948 356 K CB -0.171 32.187 32.500 -0.237 0.000 0.728 356 K HN 0.411 nan 8.250 nan 0.000 0.448 357 F N -0.047 119.815 119.950 -0.147 0.000 2.179 357 F HA 0.011 4.553 4.527 0.024 0.000 0.292 357 F C 1.839 177.561 175.800 -0.128 0.000 1.089 357 F CA 0.978 58.847 58.000 -0.219 0.000 1.295 357 F CB -0.236 38.527 39.000 -0.395 0.000 1.041 357 F HN -0.110 nan 8.300 nan 0.000 0.487 358 F N 0.326 120.430 119.950 0.257 0.000 2.546 358 F HA -0.062 4.479 4.527 0.024 0.000 0.298 358 F C 1.009 176.895 175.800 0.144 0.000 1.120 358 F CA 0.541 58.645 58.000 0.174 0.000 1.456 358 F CB -0.519 38.573 39.000 0.155 0.000 1.088 358 F HN -0.163 nan 8.300 nan 0.000 0.572 359 K N 0.345 120.906 120.400 0.268 0.000 3.035 359 K HA -0.185 4.149 4.320 0.024 0.000 0.262 359 K C -0.305 176.533 176.600 0.397 0.000 1.024 359 K CA 0.449 56.884 56.287 0.246 0.000 0.748 359 K CB -2.164 30.434 32.500 0.163 0.000 1.247 359 K HN 0.305 nan 8.250 nan 0.000 0.482 360 V N -2.624 117.492 119.914 0.337 0.000 3.096 360 V HA 0.588 4.723 4.120 0.024 0.000 0.319 360 V C 0.314 176.332 176.094 -0.127 0.000 1.082 360 V CA -1.383 61.091 62.300 0.290 0.000 1.022 360 V CB 1.608 33.586 31.823 0.259 0.000 1.103 360 V HN 0.100 nan 8.190 nan 0.000 0.455 361 L N 3.117 124.063 121.223 -0.462 0.000 2.331 361 L HA 0.583 4.938 4.340 0.024 0.000 0.278 361 L C -0.309 176.507 176.870 -0.090 0.000 1.106 361 L CA 0.599 55.020 54.840 -0.698 0.000 0.824 361 L CB 0.120 41.662 42.059 -0.862 0.000 1.142 361 L HN 1.103 nan 8.230 nan 0.000 0.443 362 N N 2.086 120.702 118.700 -0.141 0.000 2.494 362 N HA 0.443 5.198 4.740 0.024 0.000 0.270 362 N C -1.015 174.235 175.510 -0.434 0.000 1.285 362 N CA -0.897 52.058 53.050 -0.158 0.000 0.812 362 N CB 1.591 40.059 38.487 -0.032 0.000 1.557 362 N HN 0.608 nan 8.380 nan 0.000 0.487 363 R N 1.114 121.169 120.500 -0.742 0.000 2.861 363 R HA 0.054 4.408 4.340 0.024 0.000 0.268 363 R C -0.261 175.943 176.300 -0.161 0.000 1.027 363 R CA 0.310 56.055 56.100 -0.592 0.000 1.163 363 R CB 0.427 30.395 30.300 -0.552 0.000 1.060 363 R HN 0.633 nan 8.270 nan 0.000 0.483 364 K N -0.654 119.646 120.400 -0.167 0.000 2.425 364 K HA 0.100 4.434 4.320 0.024 0.000 0.201 364 K C -0.584 175.941 176.600 -0.125 0.000 1.128 364 K CA 0.696 56.948 56.287 -0.059 0.000 1.000 364 K CB 0.805 33.207 32.500 -0.164 0.000 0.961 364 K HN 0.771 nan 8.250 nan 0.000 0.555 365 T N -1.522 112.803 114.554 -0.382 0.000 2.982 365 T HA 0.122 4.486 4.350 0.024 0.000 0.321 365 T C 0.611 174.873 174.700 -0.730 0.000 1.229 365 T CA -0.740 60.995 62.100 -0.608 0.000 1.044 365 T CB 0.292 68.961 68.868 -0.332 0.000 1.184 365 T HN 0.214 nan 8.240 nan 0.000 0.477 366 Y N 4.020 123.767 120.300 -0.921 0.000 2.348 366 Y HA 0.003 4.567 4.550 0.023 0.000 0.285 366 Y C 1.609 177.315 175.900 -0.324 0.000 1.173 366 Y CA 1.156 58.948 58.100 -0.514 0.000 1.263 366 Y CB -0.609 37.636 38.460 -0.359 0.000 0.974 366 Y HN 0.569 nan 8.280 nan 0.000 0.547 367 L N 0.945 121.263 121.223 -1.509 0.000 2.362 367 L HA -0.152 4.202 4.340 0.024 0.000 0.219 367 L C 0.873 176.989 176.870 -1.258 0.000 1.134 367 L CA 0.666 54.572 54.840 -1.556 0.000 0.807 367 L CB -0.550 40.787 42.059 -1.203 0.000 0.927 367 L HN 0.299 nan 8.230 nan 0.000 0.447 368 N N 0.807 119.065 118.700 -0.736 0.000 2.466 368 N HA 0.021 4.775 4.740 0.024 0.000 0.263 368 N C -0.591 174.746 175.510 -0.288 0.000 1.178 368 N CA 0.083 52.850 53.050 -0.472 0.000 0.983 368 N CB -0.075 38.214 38.487 -0.330 0.000 1.331 368 N HN -0.023 nan 8.380 nan 0.000 0.500 369 F N 1.270 121.136 119.950 -0.141 0.000 2.518 369 F HA 0.027 4.569 4.527 0.024 0.000 0.359 369 F C 1.457 177.204 175.800 -0.088 0.000 1.118 369 F CA -0.775 57.143 58.000 -0.138 0.000 1.287 369 F CB 0.633 39.575 39.000 -0.097 0.000 1.132 369 F HN 0.240 nan 8.300 nan 0.000 0.587 370 D N 2.193 122.641 120.400 0.079 0.000 2.364 370 D HA 0.033 4.687 4.640 0.024 0.000 0.236 370 D C 0.763 177.102 176.300 0.065 0.000 1.221 370 D CA 0.342 54.373 54.000 0.053 0.000 0.891 370 D CB 0.761 41.494 40.800 -0.112 0.000 1.190 370 D HN 0.437 nan 8.370 nan 0.000 0.449 371 K N -0.850 119.609 120.400 0.098 0.000 2.574 371 K HA 0.419 4.754 4.320 0.024 0.000 0.215 371 K C -0.183 176.413 176.600 -0.007 0.000 1.485 371 K CA 0.011 56.331 56.287 0.056 0.000 1.006 371 K CB 1.495 34.052 32.500 0.096 0.000 1.254 371 K HN 0.435 nan 8.250 nan 0.000 0.580 372 A N 0.260 123.072 122.820 -0.014 0.000 2.511 372 A HA 0.591 4.925 4.320 0.024 0.000 0.293 372 A C -1.764 175.678 177.584 -0.237 0.000 1.098 372 A CA -0.446 51.478 52.037 -0.188 0.000 0.643 372 A CB 1.302 20.090 19.000 -0.355 0.000 1.302 372 A HN -0.115 nan 8.150 nan 0.000 0.446 373 V N 0.207 119.831 119.914 -0.483 0.000 2.709 373 V HA 0.875 5.010 4.120 0.024 0.000 0.308 373 V C -1.868 173.832 176.094 -0.657 0.000 1.062 373 V CA -0.770 61.288 62.300 -0.402 0.000 0.901 373 V CB 1.298 32.951 31.823 -0.283 0.000 1.003 373 V HN 0.827 nan 8.190 nan 0.000 0.425 374 F N 4.074 123.987 119.950 -0.062 0.000 2.561 374 F HA 0.645 5.187 4.527 0.024 0.000 0.321 374 F C 0.007 175.792 175.800 -0.026 0.000 1.065 374 F CA -0.870 57.124 58.000 -0.011 0.000 0.934 374 F CB 2.010 41.082 39.000 0.120 0.000 1.215 374 F HN 0.432 nan 8.300 nan 0.000 0.471 375 K N 3.356 123.831 120.400 0.126 0.000 2.227 375 K HA 0.672 5.007 4.320 0.024 0.000 0.280 375 K C -0.980 175.545 176.600 -0.125 0.000 1.041 375 K CA -0.222 56.004 56.287 -0.102 0.000 0.905 375 K CB 0.510 32.928 32.500 -0.137 0.000 1.068 375 K HN 0.637 nan 8.250 nan 0.000 0.470 376 I N 0.095 120.519 120.570 -0.244 0.000 3.067 376 I HA 0.612 4.796 4.170 0.024 0.000 0.312 376 I C -0.927 175.022 176.117 -0.280 0.000 1.073 376 I CA -1.141 60.002 61.300 -0.261 0.000 1.016 376 I CB 2.135 40.055 38.000 -0.134 0.000 1.227 376 I HN 0.533 nan 8.210 nan 0.000 0.456 377 N N 2.199 120.756 118.700 -0.239 0.000 2.607 377 N HA 0.360 5.114 4.740 0.024 0.000 0.271 377 N C -0.242 175.137 175.510 -0.218 0.000 1.142 377 N CA -0.791 52.129 53.050 -0.217 0.000 0.810 377 N CB 1.013 39.404 38.487 -0.161 0.000 1.306 377 N HN 0.840 nan 8.380 nan 0.000 0.536 378 I N 0.011 120.383 120.570 -0.330 0.000 3.564 378 I HA 0.116 4.300 4.170 0.024 0.000 0.294 378 I C 0.564 176.536 176.117 -0.242 0.000 1.289 378 I CA 0.005 61.029 61.300 -0.461 0.000 1.325 378 I CB 0.146 37.533 38.000 -1.021 0.000 1.039 378 I HN 0.082 nan 8.210 nan 0.000 0.474 379 V N 1.361 121.173 119.914 -0.170 0.000 2.453 379 V HA 0.018 4.152 4.120 0.024 0.000 0.247 379 V C -1.332 174.729 176.094 -0.055 0.000 1.048 379 V CA 0.882 63.120 62.300 -0.102 0.000 1.049 379 V CB -1.853 29.918 31.823 -0.087 0.000 0.672 379 V HN 0.413 nan 8.190 nan 0.000 0.457 380 P HA 0.185 nan 4.420 nan 0.000 0.281 380 P C 0.406 177.706 177.300 -0.001 0.000 1.252 380 P CA -0.038 63.049 63.100 -0.022 0.000 0.778 380 P CB 0.590 32.276 31.700 -0.023 0.000 0.895 381 K N 1.665 122.064 120.400 -0.001 0.000 2.211 381 K HA -0.070 4.264 4.320 0.024 0.000 0.203 381 K C 1.485 178.094 176.600 0.015 0.000 1.050 381 K CA 1.426 57.715 56.287 0.005 0.000 0.945 381 K CB -0.443 32.054 32.500 -0.005 0.000 0.732 381 K HN 0.379 nan 8.250 nan 0.000 0.451 382 V N -1.591 118.331 119.914 0.013 0.000 3.141 382 V HA -0.134 4.000 4.120 0.024 0.000 0.265 382 V C 1.204 177.319 176.094 0.035 0.000 1.126 382 V CA 1.459 63.770 62.300 0.018 0.000 1.141 382 V CB -0.670 31.159 31.823 0.009 0.000 0.743 382 V HN 0.261 nan 8.190 nan 0.000 0.492 383 N N -1.267 117.463 118.700 0.049 0.000 2.499 383 N HA 0.207 4.961 4.740 0.024 0.000 0.182 383 N C -0.308 175.322 175.510 0.199 0.000 1.034 383 N CA 0.603 53.711 53.050 0.096 0.000 0.882 383 N CB 0.629 39.147 38.487 0.051 0.000 1.125 383 N HN 0.624 nan 8.380 nan 0.000 0.436 384 Y N 1.069 121.328 120.300 -0.068 0.000 2.314 384 Y HA 0.107 4.671 4.550 0.024 0.000 0.317 384 Y C -1.253 174.548 175.900 -0.166 0.000 1.234 384 Y CA -0.932 57.061 58.100 -0.179 0.000 1.111 384 Y CB 0.791 38.987 38.460 -0.440 0.000 1.283 384 Y HN -0.103 nan 8.280 nan 0.000 0.418 385 T N 2.137 116.511 114.554 -0.300 0.000 2.952 385 T HA 0.416 4.781 4.350 0.024 0.000 0.286 385 T C 0.852 175.373 174.700 -0.297 0.000 1.024 385 T CA -0.647 61.336 62.100 -0.194 0.000 1.029 385 T CB 1.684 70.476 68.868 -0.126 0.000 1.094 385 T HN 0.588 nan 8.240 nan 0.000 0.515 386 I N -0.072 120.342 120.570 -0.260 0.000 2.361 386 I HA -0.101 4.083 4.170 0.024 0.000 0.251 386 I C 1.589 177.558 176.117 -0.246 0.000 1.133 386 I CA 1.575 62.694 61.300 -0.301 0.000 1.413 386 I CB -0.425 37.302 38.000 -0.455 0.000 1.073 386 I HN 0.649 nan 8.210 nan 0.000 0.424 387 Y N -0.542 119.718 120.300 -0.067 0.000 2.396 387 Y HA 0.011 4.575 4.550 0.024 0.000 0.292 387 Y C 2.059 177.926 175.900 -0.055 0.000 1.128 387 Y CA 0.418 58.500 58.100 -0.030 0.000 1.194 387 Y CB -0.408 38.043 38.460 -0.015 0.000 1.124 387 Y HN 0.091 nan 8.280 nan 0.000 0.543 388 D N -0.802 119.614 120.400 0.026 0.000 2.360 388 D HA 0.188 4.843 4.640 0.024 0.000 0.210 388 D C 1.673 177.855 176.300 -0.197 0.000 1.047 388 D CA 1.018 54.998 54.000 -0.033 0.000 0.854 388 D CB 0.283 41.075 40.800 -0.013 0.000 0.936 388 D HN 0.367 nan 8.370 nan 0.000 0.514 389 G N 1.454 109.930 108.800 -0.541 0.000 2.591 389 G HA2 -0.384 3.590 3.960 0.024 0.000 0.298 389 G HA3 -0.384 3.590 3.960 0.024 0.000 0.298 389 G C 0.728 175.017 174.900 -1.018 0.000 1.195 389 G CA 0.261 44.627 45.100 -1.224 0.000 0.989 389 G HN 0.224 nan 8.290 nan 0.000 0.551 390 F N 2.280 122.054 119.950 -0.293 0.000 2.416 390 F HA 0.206 4.747 4.527 0.024 0.000 0.296 390 F C 1.958 177.780 175.800 0.037 0.000 1.099 390 F CA 1.003 59.030 58.000 0.045 0.000 1.427 390 F CB -0.016 39.155 39.000 0.285 0.000 1.079 390 F HN 0.183 nan 8.300 nan 0.000 0.536 391 N N 2.047 120.869 118.700 0.204 0.000 3.245 391 N HA 0.086 4.840 4.740 0.024 0.000 0.296 391 N C -0.283 175.269 175.510 0.070 0.000 1.254 391 N CA 0.096 53.236 53.050 0.151 0.000 1.190 391 N CB -0.091 38.492 38.487 0.160 0.000 1.460 391 N HN 0.197 nan 8.380 nan 0.000 0.538 392 L N 1.765 123.026 121.223 0.065 0.000 2.559 392 L HA -0.044 4.310 4.340 0.024 0.000 0.274 392 L C 1.358 178.243 176.870 0.025 0.000 1.205 392 L CA -0.049 54.810 54.840 0.032 0.000 0.907 392 L CB 0.288 42.370 42.059 0.039 0.000 1.153 392 L HN 0.273 nan 8.230 nan 0.000 0.490 393 R N 3.954 124.465 120.500 0.018 0.000 2.679 393 R HA 0.061 4.416 4.340 0.024 0.000 0.268 393 R C 0.170 176.475 176.300 0.008 0.000 1.044 393 R CA -0.493 55.613 56.100 0.010 0.000 1.105 393 R CB 0.049 30.355 30.300 0.010 0.000 0.989 393 R HN 0.702 nan 8.270 nan 0.000 0.447 394 N N -0.851 117.850 118.700 0.001 0.000 2.747 394 N HA -0.191 4.563 4.740 0.024 0.000 0.249 394 N C -0.630 174.882 175.510 0.003 0.000 1.107 394 N CA 1.821 54.870 53.050 -0.000 0.000 0.707 394 N CB -1.456 37.032 38.487 0.001 0.000 1.054 394 N HN 0.969 nan 8.380 nan 0.000 0.555 395 T N -4.981 109.576 114.554 0.006 0.000 2.716 395 T HA 0.388 4.752 4.350 0.024 0.000 0.286 395 T C 1.012 175.716 174.700 0.007 0.000 1.052 395 T CA -0.413 61.693 62.100 0.009 0.000 1.024 395 T CB 1.550 70.429 68.868 0.018 0.000 1.349 395 T HN -0.151 nan 8.240 nan 0.000 0.525 396 N N -0.146 118.560 118.700 0.009 0.000 2.192 396 N HA -0.050 4.705 4.740 0.024 0.000 0.188 396 N C 1.552 177.071 175.510 0.016 0.000 1.013 396 N CA 1.433 54.489 53.050 0.009 0.000 0.863 396 N CB -0.737 37.755 38.487 0.008 0.000 0.990 396 N HN 0.640 nan 8.380 nan 0.000 0.430 397 L N -0.816 120.424 121.223 0.028 0.000 2.509 397 L HA 0.214 4.569 4.340 0.024 0.000 0.222 397 L C 2.071 178.968 176.870 0.045 0.000 1.123 397 L CA 0.391 55.260 54.840 0.049 0.000 0.856 397 L CB -0.267 41.837 42.059 0.075 0.000 0.985 397 L HN 0.051 nan 8.230 nan 0.000 0.456 398 A N 0.715 123.546 122.820 0.018 0.000 2.066 398 A HA 0.187 4.521 4.320 0.024 0.000 0.218 398 A C 1.892 179.450 177.584 -0.044 0.000 1.157 398 A CA 0.948 52.983 52.037 -0.003 0.000 0.670 398 A CB -0.234 18.760 19.000 -0.011 0.000 0.804 398 A HN 0.341 nan 8.150 nan 0.000 0.453 399 A N 0.713 123.511 122.820 -0.037 0.000 2.291 399 A HA 0.168 4.502 4.320 0.024 0.000 0.268 399 A C 0.378 177.899 177.584 -0.105 0.000 1.579 399 A CA -0.029 51.968 52.037 -0.066 0.000 0.854 399 A CB -0.464 18.517 19.000 -0.031 0.000 1.370 399 A HN 0.431 nan 8.150 nan 0.000 0.576 400 N N 0.387 119.043 118.700 -0.074 0.000 2.453 400 N HA 0.013 4.767 4.740 0.024 0.000 0.302 400 N C -0.688 174.865 175.510 0.072 0.000 1.241 400 N CA 0.510 53.511 53.050 -0.082 0.000 1.129 400 N CB -1.018 37.484 38.487 0.025 0.000 1.482 400 N HN 0.460 nan 8.380 nan 0.000 0.494 401 F N -0.375 119.625 119.950 0.082 0.000 3.109 401 F HA -0.341 4.201 4.527 0.024 0.000 0.278 401 F C 1.346 177.262 175.800 0.193 0.000 0.890 401 F CA 0.230 58.300 58.000 0.116 0.000 0.972 401 F CB -1.982 37.046 39.000 0.046 0.000 1.070 401 F HN 0.320 nan 8.300 nan 0.000 0.578 402 N N 0.650 119.492 118.700 0.237 0.000 2.094 402 N HA -0.168 4.587 4.740 0.024 0.000 0.191 402 N C 2.274 177.862 175.510 0.131 0.000 1.023 402 N CA 1.570 54.718 53.050 0.162 0.000 0.857 402 N CB -0.847 37.688 38.487 0.080 0.000 1.013 402 N HN 0.539 nan 8.380 nan 0.000 0.426 403 G N 0.219 109.118 108.800 0.165 0.000 2.507 403 G HA2 -0.287 3.687 3.960 0.024 0.000 0.221 403 G HA3 -0.287 3.687 3.960 0.024 0.000 0.221 403 G C 1.298 176.292 174.900 0.156 0.000 1.119 403 G CA 0.764 45.980 45.100 0.195 0.000 0.751 403 G HN 0.420 nan 8.290 nan 0.000 0.574 404 Q N -0.403 119.501 119.800 0.172 0.000 2.319 404 Q HA 0.102 4.456 4.340 0.024 0.000 0.202 404 Q C 0.425 176.301 176.000 -0.207 0.000 0.896 404 Q CA -0.480 55.343 55.803 0.033 0.000 0.942 404 Q CB 0.291 29.183 28.738 0.256 0.000 1.083 404 Q HN 0.300 nan 8.270 nan 0.000 0.510 405 N N 0.965 119.527 118.700 -0.231 0.000 2.430 405 N HA -0.013 4.741 4.740 0.024 0.000 0.265 405 N C 0.731 175.848 175.510 -0.656 0.000 1.100 405 N CA 0.306 52.940 53.050 -0.694 0.000 0.961 405 N CB 1.400 39.540 38.487 -0.579 0.000 1.075 405 N HN 0.096 nan 8.380 nan 0.000 0.478 406 T N 0.843 114.882 114.554 -0.858 0.000 2.995 406 T HA -0.035 4.329 4.350 0.024 0.000 0.269 406 T C 1.329 175.770 174.700 -0.432 0.000 1.091 406 T CA 0.896 62.496 62.100 -0.834 0.000 1.128 406 T CB 0.136 68.358 68.868 -1.077 0.000 0.891 406 T HN 0.531 nan 8.240 nan 0.000 0.492 407 E N 0.908 120.885 120.200 -0.372 0.000 2.006 407 E HA 0.022 4.386 4.350 0.024 0.000 0.192 407 E C 2.166 178.664 176.600 -0.170 0.000 0.993 407 E CA 0.997 57.263 56.400 -0.222 0.000 0.808 407 E CB -0.215 29.359 29.700 -0.209 0.000 0.764 407 E HN 0.433 nan 8.360 nan 0.000 0.449 408 I N 1.363 121.821 120.570 -0.187 0.000 2.091 408 I HA -0.267 3.918 4.170 0.024 0.000 0.239 408 I C 1.538 177.613 176.117 -0.070 0.000 1.061 408 I CA 0.911 62.145 61.300 -0.110 0.000 1.317 408 I CB -0.242 37.702 38.000 -0.094 0.000 1.031 408 I HN 0.055 nan 8.210 nan 0.000 0.401 409 N N 1.700 120.362 118.700 -0.063 0.000 3.303 409 N HA -0.032 4.722 4.740 0.024 0.000 0.304 409 N C 0.588 176.113 175.510 0.024 0.000 1.302 409 N CA -0.016 53.036 53.050 0.004 0.000 1.213 409 N CB -0.642 37.888 38.487 0.071 0.000 1.481 409 N HN 0.356 nan 8.380 nan 0.000 0.546 410 N N 0.537 119.225 118.700 -0.020 0.000 2.494 410 N HA -0.134 4.621 4.740 0.024 0.000 0.182 410 N C 1.276 176.781 175.510 -0.009 0.000 1.076 410 N CA 0.853 53.894 53.050 -0.016 0.000 0.908 410 N CB -0.228 38.235 38.487 -0.040 0.000 0.967 410 N HN 0.409 nan 8.380 nan 0.000 0.449 411 M N -2.806 116.778 119.600 -0.027 0.000 2.618 411 M HA 0.320 4.815 4.480 0.024 0.000 0.240 411 M C 0.721 176.961 176.300 -0.100 0.000 1.123 411 M CA 0.775 56.048 55.300 -0.045 0.000 1.060 411 M CB 0.186 32.766 32.600 -0.034 0.000 1.535 411 M HN -0.027 nan 8.290 nan 0.000 0.507 412 N N -0.081 118.519 118.700 -0.167 0.000 2.181 412 N HA 0.253 5.008 4.740 0.024 0.000 0.207 412 N C -1.193 173.776 175.510 -0.902 0.000 1.182 412 N CA 0.201 52.979 53.050 -0.454 0.000 0.893 412 N CB 0.810 38.986 38.487 -0.518 0.000 1.032 412 N HN 0.323 nan 8.380 nan 0.000 0.513 413 F N 0.487 120.306 119.950 -0.219 0.000 2.612 413 F HA 0.321 4.863 4.527 0.024 0.000 0.332 413 F C -0.122 175.661 175.800 -0.029 0.000 1.167 413 F CA -0.788 57.082 58.000 -0.216 0.000 0.970 413 F CB 1.380 40.012 39.000 -0.613 0.000 1.234 413 F HN -0.380 nan 8.300 nan 0.000 0.453 414 T N 3.077 117.738 114.554 0.179 0.000 2.780 414 T HA 0.217 4.581 4.350 0.024 0.000 0.294 414 T C 0.111 174.976 174.700 0.275 0.000 0.949 414 T CA -0.690 61.511 62.100 0.168 0.000 1.074 414 T CB 0.997 69.909 68.868 0.074 0.000 0.910 414 T HN 0.435 nan 8.240 nan 0.000 0.501 415 K N 2.950 123.497 120.400 0.245 0.000 2.219 415 K HA 0.499 4.833 4.320 0.024 0.000 0.258 415 K C -0.639 175.956 176.600 -0.008 0.000 1.008 415 K CA -0.382 55.968 56.287 0.105 0.000 0.928 415 K CB 0.427 32.970 32.500 0.072 0.000 0.983 415 K HN 0.499 nan 8.250 nan 0.000 0.484 416 L N 1.688 122.833 121.223 -0.131 0.000 2.327 416 L HA 0.383 4.737 4.340 0.024 0.000 0.258 416 L C -0.659 176.209 176.870 -0.003 0.000 1.024 416 L CA -1.159 53.672 54.840 -0.016 0.000 0.825 416 L CB 1.835 43.841 42.059 -0.087 0.000 1.386 416 L HN 0.573 nan 8.230 nan 0.000 0.417 417 K N 1.848 122.314 120.400 0.110 0.000 2.402 417 K HA 0.043 4.377 4.320 0.024 0.000 0.285 417 K C -0.249 176.395 176.600 0.073 0.000 1.054 417 K CA -0.230 56.043 56.287 -0.024 0.000 1.001 417 K CB 0.402 32.776 32.500 -0.209 0.000 0.946 417 K HN 0.447 nan 8.250 nan 0.000 0.473 418 N N 4.725 123.409 118.700 -0.026 0.000 2.430 418 N HA 0.031 4.786 4.740 0.024 0.000 0.265 418 N C -0.123 175.398 175.510 0.018 0.000 1.100 418 N CA -0.126 52.954 53.050 0.051 0.000 0.961 418 N CB 0.274 38.747 38.487 -0.023 0.000 1.075 418 N HN 0.544 nan 8.380 nan 0.000 0.478 419 F N 0.873 120.855 119.950 0.052 0.000 2.367 419 F HA 0.062 4.603 4.527 0.024 0.000 0.298 419 F C 1.225 177.062 175.800 0.060 0.000 1.094 419 F CA 0.563 58.616 58.000 0.088 0.000 1.409 419 F CB -0.169 38.982 39.000 0.251 0.000 1.064 419 F HN 0.303 nan 8.300 nan 0.000 0.528 420 T N 1.464 116.131 114.554 0.187 0.000 2.761 420 T HA 0.286 4.650 4.350 0.024 0.000 0.287 420 T C 0.869 175.554 174.700 -0.024 0.000 0.931 420 T CA 0.009 62.157 62.100 0.080 0.000 1.164 420 T CB 0.080 69.016 68.868 0.113 0.000 0.876 420 T HN 0.296 nan 8.240 nan 0.000 0.534 421 G N 1.968 110.719 108.800 -0.082 0.000 2.732 421 G HA2 0.191 4.165 3.960 0.024 0.000 0.244 421 G HA3 0.191 4.165 3.960 0.024 0.000 0.244 421 G C 1.078 175.886 174.900 -0.154 0.000 1.226 421 G CA -0.621 44.404 45.100 -0.126 0.000 0.860 421 G HN 0.711 nan 8.290 nan 0.000 0.583 422 L N -0.716 120.354 121.223 -0.256 0.000 2.291 422 L HA 0.262 4.616 4.340 0.024 0.000 0.214 422 L C 0.864 177.327 176.870 -0.679 0.000 1.120 422 L CA 1.121 55.678 54.840 -0.472 0.000 0.799 422 L CB -0.049 41.618 42.059 -0.652 0.000 0.925 422 L HN 0.478 nan 8.230 nan 0.000 0.446 423 F N -1.786 118.123 119.950 -0.069 0.000 2.577 423 F HA 0.205 4.746 4.527 0.024 0.000 0.342 423 F C 1.311 177.047 175.800 -0.107 0.000 1.479 423 F CA -0.452 57.490 58.000 -0.096 0.000 1.110 423 F CB 0.477 39.313 39.000 -0.273 0.000 1.306 423 F HN -0.131 nan 8.300 nan 0.000 0.554 424 E N 1.372 121.534 120.200 -0.063 0.000 2.046 424 E HA 0.033 4.397 4.350 0.024 0.000 0.190 424 E C -0.203 176.156 176.600 -0.401 0.000 0.982 424 E CA 1.328 57.507 56.400 -0.368 0.000 0.800 424 E CB 0.290 29.548 29.700 -0.736 0.000 0.756 424 E HN 0.326 nan 8.360 nan 0.000 0.449 425 F N 0.373 120.519 119.950 0.327 0.000 2.467 425 F HA 0.434 4.975 4.527 0.024 0.000 0.336 425 F C -0.408 175.550 175.800 0.263 0.000 1.123 425 F CA -1.245 56.900 58.000 0.240 0.000 0.964 425 F CB 1.328 40.386 39.000 0.097 0.000 1.136 425 F HN -0.049 nan 8.300 nan 0.000 0.447 426 Y N -0.221 120.182 120.300 0.172 0.000 2.764 426 Y HA 0.767 5.332 4.550 0.024 0.000 0.331 426 Y C -1.884 174.025 175.900 0.016 0.000 1.280 426 Y CA -1.629 56.512 58.100 0.067 0.000 1.065 426 Y CB 1.604 40.097 38.460 0.055 0.000 1.319 426 Y HN 0.407 nan 8.280 nan 0.000 0.453 427 K N 1.001 121.370 120.400 -0.052 0.000 2.443 427 K HA 0.640 4.974 4.320 0.024 0.000 0.251 427 K C -2.170 174.494 176.600 0.108 0.000 0.972 427 K CA -1.058 55.162 56.287 -0.111 0.000 0.833 427 K CB 2.920 35.370 32.500 -0.083 0.000 1.317 427 K HN 0.656 nan 8.250 nan 0.000 0.441 428 L N 3.065 124.375 121.223 0.144 0.000 2.305 428 L HA 0.467 4.822 4.340 0.024 0.000 0.284 428 L C -1.660 175.332 176.870 0.203 0.000 1.013 428 L CA -0.339 54.617 54.840 0.192 0.000 0.819 428 L CB 0.816 42.997 42.059 0.204 0.000 1.227 428 L HN 0.442 nan 8.230 nan 0.000 0.417 429 L N 5.227 126.548 121.223 0.163 0.000 2.333 429 L HA 0.644 4.998 4.340 0.024 0.000 0.280 429 L C -0.602 176.460 176.870 0.320 0.000 1.004 429 L CA -0.504 54.483 54.840 0.245 0.000 0.820 429 L CB 1.532 43.786 42.059 0.325 0.000 1.247 429 L HN 0.646 nan 8.230 nan 0.000 0.416 430 c N 2.088 120.821 118.600 0.222 0.000 3.157 430 c HA 0.853 5.438 4.570 0.024 0.000 0.368 430 c C -0.106 173.990 174.090 0.009 0.000 1.623 430 c CA -0.616 55.811 56.329 0.163 0.000 1.530 430 c CB 2.508 45.073 42.510 0.091 0.000 2.152 430 c HN 0.549 nan 8.230 nan 0.000 0.456 431 V N 0.750 120.643 119.914 -0.035 0.000 2.888 431 V HA 0.484 4.618 4.120 0.024 0.000 0.309 431 V C -0.369 175.667 176.094 -0.097 0.000 1.114 431 V CA -0.578 61.629 62.300 -0.156 0.000 0.940 431 V CB 1.932 33.578 31.823 -0.295 0.000 1.021 431 V HN 0.777 nan 8.190 nan 0.000 0.426 454 c N 2.603 121.260 118.600 0.095 0.000 2.985 454 c HA 0.839 5.424 4.570 0.024 0.000 0.332 454 c C -0.371 173.721 174.090 0.003 0.000 1.164 454 c CA -0.607 55.773 56.329 0.085 0.000 1.347 454 c CB 1.596 44.143 42.510 0.062 0.000 1.764 454 c HN 0.948 nan 8.230 nan 0.000 0.489 455 I N -0.482 120.049 120.570 -0.065 0.000 2.785 455 I HA 0.650 4.834 4.170 0.024 0.000 0.302 455 I C -0.672 175.333 176.117 -0.188 0.000 1.069 455 I CA -0.741 60.456 61.300 -0.173 0.000 1.045 455 I CB 1.495 39.345 38.000 -0.250 0.000 1.236 455 I HN 0.463 nan 8.210 nan 0.000 0.429 456 K N 3.543 123.710 120.400 -0.388 0.000 2.297 456 K HA 0.517 4.852 4.320 0.024 0.000 0.286 456 K C -1.038 175.277 176.600 -0.475 0.000 1.053 456 K CA -0.507 55.458 56.287 -0.536 0.000 0.940 456 K CB 1.729 33.391 32.500 -1.397 0.000 1.019 456 K HN 0.409 nan 8.250 nan 0.000 0.475 457 V N 3.942 123.772 119.914 -0.141 0.000 2.384 457 V HA 0.079 4.213 4.120 0.024 0.000 0.287 457 V C 0.196 176.363 176.094 0.122 0.000 1.020 457 V CA -1.131 61.140 62.300 -0.048 0.000 0.850 457 V CB 1.335 33.000 31.823 -0.263 0.000 0.987 457 V HN 0.799 nan 8.190 nan 0.000 0.436 458 N N 3.789 122.712 118.700 0.371 0.000 2.359 458 N HA -0.094 4.661 4.740 0.024 0.000 0.261 458 N C 1.263 176.881 175.510 0.180 0.000 1.267 458 N CA 0.362 53.666 53.050 0.423 0.000 0.864 458 N CB 0.550 39.283 38.487 0.412 0.000 1.063 458 N HN 0.818 nan 8.380 nan 0.000 0.474 459 N N 4.212 122.945 118.700 0.055 0.000 2.091 459 N HA -0.221 4.533 4.740 0.024 0.000 0.193 459 N C 0.940 176.303 175.510 -0.245 0.000 1.021 459 N CA 2.086 54.983 53.050 -0.256 0.000 0.862 459 N CB -0.309 37.855 38.487 -0.538 0.000 1.018 459 N HN 0.670 nan 8.380 nan 0.000 0.429 460 W N -0.134 121.253 121.300 0.144 0.000 2.937 460 W HA 0.173 4.848 4.660 0.024 0.000 0.245 460 W C 1.133 177.816 176.519 0.273 0.000 1.306 460 W CA -0.230 57.220 57.345 0.176 0.000 1.470 460 W CB 0.141 29.641 29.460 0.066 0.000 1.132 460 W HN 0.013 nan 8.180 nan 0.000 0.675 461 D N 0.278 120.874 120.400 0.328 0.000 2.328 461 D HA 0.137 4.791 4.640 0.024 0.000 0.221 461 D C 0.663 177.077 176.300 0.189 0.000 1.072 461 D CA 0.398 54.551 54.000 0.255 0.000 0.850 461 D CB 0.122 41.069 40.800 0.245 0.000 0.922 461 D HN 0.121 nan 8.370 nan 0.000 0.516 462 L N -0.498 120.806 121.223 0.135 0.000 2.448 462 L HA 0.338 4.692 4.340 0.024 0.000 0.258 462 L C 0.322 177.297 176.870 0.175 0.000 1.104 462 L CA -0.898 54.020 54.840 0.131 0.000 0.800 462 L CB 0.655 42.724 42.059 0.017 0.000 1.241 462 L HN -0.214 nan 8.230 nan 0.000 0.472 463 F N 0.285 120.451 119.950 0.360 0.000 2.412 463 F HA 0.172 4.714 4.527 0.025 0.000 0.348 463 F C 0.105 176.100 175.800 0.325 0.000 1.102 463 F CA 0.020 58.233 58.000 0.354 0.000 1.196 463 F CB 0.814 40.052 39.000 0.396 0.000 1.144 463 F HN 0.141 nan 8.300 nan 0.000 0.541 464 F N 3.378 123.575 119.950 0.411 0.000 2.411 464 F HA 0.384 4.925 4.527 0.024 0.000 0.355 464 F C 0.052 176.003 175.800 0.252 0.000 1.117 464 F CA -0.053 58.116 58.000 0.283 0.000 1.139 464 F CB 0.782 39.937 39.000 0.257 0.000 1.120 464 F HN 0.232 nan 8.300 nan 0.000 0.493 465 S N 8.593 124.030 115.700 -0.437 0.000 2.395 465 S HA 0.425 4.910 4.470 0.024 0.000 0.207 465 S C -2.754 171.483 174.600 -0.606 0.000 1.454 465 S CA -1.639 56.211 58.200 -0.583 0.000 1.211 465 S CB 0.170 62.821 63.200 -0.915 0.000 1.093 465 S HN 0.434 nan 8.310 nan 0.000 0.472 466 P HA 0.048 nan 4.420 nan 0.000 0.266 466 P C 0.053 177.169 177.300 -0.306 0.000 1.193 466 P CA 0.138 63.013 63.100 -0.375 0.000 0.770 466 P CB 0.506 32.227 31.700 0.035 0.000 0.836 467 S N 0.710 116.193 115.700 -0.361 0.000 2.579 467 S HA -0.009 4.475 4.470 0.024 0.000 0.275 467 S C 1.478 175.920 174.600 -0.263 0.000 1.345 467 S CA -0.187 57.848 58.200 -0.276 0.000 1.031 467 S CB 0.246 63.293 63.200 -0.256 0.000 0.892 467 S HN 0.452 nan 8.310 nan 0.000 0.529 468 E N 2.237 122.368 120.200 -0.114 0.000 2.150 468 E HA -0.125 4.239 4.350 0.024 0.000 0.193 468 E C 1.089 177.631 176.600 -0.098 0.000 0.985 468 E CA 1.796 58.204 56.400 0.014 0.000 0.814 468 E CB -0.342 29.386 29.700 0.046 0.000 0.752 468 E HN 0.725 nan 8.360 nan 0.000 0.466 469 D N 0.418 120.721 120.400 -0.162 0.000 2.220 469 D HA -0.208 4.446 4.640 0.024 0.000 0.198 469 D C 1.291 177.442 176.300 -0.250 0.000 1.001 469 D CA 1.072 54.973 54.000 -0.164 0.000 0.875 469 D CB -0.367 40.337 40.800 -0.160 0.000 0.921 469 D HN 0.282 nan 8.370 nan 0.000 0.454 470 N N -0.475 117.894 118.700 -0.551 0.000 2.381 470 N HA -0.094 4.661 4.740 0.024 0.000 0.182 470 N C -0.051 175.114 175.510 -0.575 0.000 1.025 470 N CA 0.392 52.977 53.050 -0.775 0.000 0.888 470 N CB 0.032 37.520 38.487 -1.667 0.000 0.965 470 N HN 0.254 nan 8.380 nan 0.000 0.438 471 F N 1.039 121.004 119.950 0.025 0.000 2.293 471 F HA 0.257 4.798 4.527 0.024 0.000 0.370 471 F C 0.673 176.587 175.800 0.190 0.000 1.090 471 F CA -1.011 57.061 58.000 0.119 0.000 1.133 471 F CB 0.820 39.842 39.000 0.036 0.000 1.360 471 F HN -0.254 nan 8.300 nan 0.000 0.489 472 T N 0.121 114.879 114.554 0.340 0.000 2.950 472 T HA 0.797 5.162 4.350 0.024 0.000 0.288 472 T C -0.621 174.201 174.700 0.204 0.000 1.035 472 T CA -0.878 61.348 62.100 0.210 0.000 1.028 472 T CB 2.301 71.224 68.868 0.091 0.000 1.109 472 T HN 0.651 nan 8.240 nan 0.000 0.514 473 N N -1.268 117.451 118.700 0.030 0.000 3.046 473 N HA 0.404 5.158 4.740 0.024 0.000 0.243 473 N C -1.331 174.115 175.510 -0.106 0.000 1.452 473 N CA -0.806 52.186 53.050 -0.097 0.000 0.882 473 N CB 0.973 39.215 38.487 -0.408 0.000 1.425 473 N HN 0.606 nan 8.380 nan 0.000 0.517 474 D N -0.050 120.282 120.400 -0.114 0.000 2.501 474 D HA 0.148 4.802 4.640 0.024 0.000 0.224 474 D C 0.939 177.165 176.300 -0.124 0.000 1.202 474 D CA -0.340 53.605 54.000 -0.092 0.000 0.829 474 D CB -0.274 40.493 40.800 -0.054 0.000 1.023 474 D HN 0.550 nan 8.370 nan 0.000 0.499 475 L N 0.968 122.072 121.223 -0.199 0.000 2.283 475 L HA -0.238 4.116 4.340 0.024 0.000 0.217 475 L C 2.042 178.805 176.870 -0.178 0.000 1.104 475 L CA 1.550 56.251 54.840 -0.232 0.000 0.772 475 L CB -0.569 41.292 42.059 -0.330 0.000 0.899 475 L HN 0.290 nan 8.230 nan 0.000 0.439 476 N N -0.581 118.042 118.700 -0.130 0.000 2.463 476 N HA -0.085 4.670 4.740 0.024 0.000 0.181 476 N C 0.476 175.958 175.510 -0.047 0.000 1.078 476 N CA 0.305 53.303 53.050 -0.086 0.000 0.902 476 N CB 0.051 38.495 38.487 -0.071 0.000 0.970 476 N HN 0.118 nan 8.380 nan 0.000 0.451 477 K N 1.887 122.262 120.400 -0.041 0.000 2.383 477 K HA 0.203 4.538 4.320 0.024 0.000 0.286 477 K C 0.665 177.287 176.600 0.037 0.000 1.051 477 K CA -0.137 56.148 56.287 -0.004 0.000 0.974 477 K CB 0.891 33.388 32.500 -0.005 0.000 0.968 477 K HN 0.222 nan 8.250 nan 0.000 0.475 478 G N 2.204 111.038 108.800 0.057 0.000 2.690 478 G HA2 0.029 4.003 3.960 0.024 0.000 0.239 478 G HA3 0.029 4.003 3.960 0.024 0.000 0.239 478 G C -0.386 174.598 174.900 0.140 0.000 1.233 478 G CA -0.099 45.069 45.100 0.114 0.000 0.847 478 G HN 0.644 nan 8.290 nan 0.000 0.588 479 E N -0.817 119.519 120.200 0.227 0.000 2.314 479 E HA 0.387 4.751 4.350 0.024 0.000 0.272 479 E C -1.035 175.610 176.600 0.075 0.000 0.884 479 E CA -0.725 55.765 56.400 0.151 0.000 0.753 479 E CB 1.834 31.646 29.700 0.187 0.000 1.213 479 E HN 0.410 nan 8.360 nan 0.000 0.432 480 E N 4.777 124.975 120.200 -0.003 0.000 2.044 480 E HA 0.210 4.574 4.350 0.024 0.000 0.282 480 E C -0.550 175.980 176.600 -0.116 0.000 1.031 480 E CA -0.660 55.714 56.400 -0.043 0.000 0.824 480 E CB 0.413 30.101 29.700 -0.021 0.000 1.076 480 E HN 0.374 nan 8.360 nan 0.000 0.395 481 I N 4.722 125.172 120.570 -0.200 0.000 2.471 481 I HA 0.100 4.284 4.170 0.024 0.000 0.286 481 I C 0.961 177.028 176.117 -0.082 0.000 1.079 481 I CA 0.008 61.170 61.300 -0.231 0.000 1.398 481 I CB 0.085 37.883 38.000 -0.338 0.000 1.403 481 I HN 0.609 nan 8.210 nan 0.000 0.530 482 T N 1.221 115.764 114.554 -0.018 0.000 2.841 482 T HA 0.405 4.769 4.350 0.024 0.000 0.276 482 T C 1.063 175.826 174.700 0.106 0.000 1.003 482 T CA -0.025 62.148 62.100 0.123 0.000 0.995 482 T CB 1.271 70.213 68.868 0.124 0.000 1.260 482 T HN 0.513 nan 8.240 nan 0.000 0.581 483 S N -0.569 115.199 115.700 0.113 0.000 2.446 483 S HA -0.017 4.468 4.470 0.024 0.000 0.225 483 S C 1.132 175.705 174.600 -0.045 0.000 1.016 483 S CA 0.746 58.899 58.200 -0.078 0.000 0.943 483 S CB -0.747 62.224 63.200 -0.381 0.000 0.786 483 S HN 0.720 nan 8.310 nan 0.000 0.508 484 D N 2.036 122.439 120.400 0.005 0.000 2.178 484 D HA 0.019 4.674 4.640 0.024 0.000 0.201 484 D C 0.674 176.972 176.300 -0.004 0.000 0.980 484 D CA 1.010 55.013 54.000 0.005 0.000 0.842 484 D CB -0.615 40.205 40.800 0.032 0.000 0.948 484 D HN 0.311 nan 8.370 nan 0.000 0.472 485 T N 0.591 115.140 114.554 -0.008 0.000 2.906 485 T HA -0.015 4.349 4.350 0.024 0.000 0.320 485 T C 0.264 174.954 174.700 -0.017 0.000 1.088 485 T CA -0.159 61.928 62.100 -0.021 0.000 1.120 485 T CB 0.388 69.222 68.868 -0.056 0.000 1.000 485 T HN -0.015 nan 8.240 nan 0.000 0.550 486 N N 2.067 120.759 118.700 -0.013 0.000 2.472 486 N HA 0.231 4.986 4.740 0.024 0.000 0.277 486 N C -0.920 174.594 175.510 0.007 0.000 1.081 486 N CA -0.423 52.626 53.050 -0.002 0.000 0.973 486 N CB 0.282 38.768 38.487 -0.001 0.000 1.105 486 N HN 0.324 nan 8.380 nan 0.000 0.470 487 I N 2.247 122.826 120.570 0.015 0.000 2.355 487 I HA 0.250 4.434 4.170 0.024 0.000 0.288 487 I C 0.409 176.546 176.117 0.034 0.000 0.999 487 I CA -0.490 60.827 61.300 0.028 0.000 1.163 487 I CB 1.062 39.079 38.000 0.028 0.000 1.316 487 I HN 0.455 nan 8.210 nan 0.000 0.454 488 E N 4.228 124.455 120.200 0.045 0.000 2.313 488 E HA 0.534 4.898 4.350 0.024 0.000 0.276 488 E C 0.367 177.000 176.600 0.056 0.000 1.031 488 E CA -0.142 56.289 56.400 0.051 0.000 0.857 488 E CB 1.443 31.180 29.700 0.062 0.000 1.040 488 E HN 0.773 nan 8.360 nan 0.000 0.408 494 I N 2.493 123.068 120.570 0.007 0.000 2.243 494 I HA 0.036 4.220 4.170 0.024 0.000 0.297 494 I C 0.694 176.803 176.117 -0.013 0.000 1.161 494 I CA 0.126 61.422 61.300 -0.007 0.000 1.298 494 I CB -0.078 37.901 38.000 -0.035 0.000 1.475 494 I HN 0.386 nan 8.210 nan 0.000 0.561 495 S N 4.827 120.527 115.700 -0.000 0.000 2.687 495 S HA 0.413 4.897 4.470 0.024 0.000 0.283 495 S C 0.988 175.584 174.600 -0.006 0.000 1.170 495 S CA -0.842 57.350 58.200 -0.013 0.000 1.008 495 S CB 1.822 65.016 63.200 -0.010 0.000 1.026 495 S HN 0.493 nan 8.310 nan 0.000 0.541 496 L N 0.756 121.956 121.223 -0.040 0.000 2.131 496 L HA -0.090 4.264 4.340 0.024 0.000 0.210 496 L C 1.887 178.761 176.870 0.008 0.000 1.092 496 L CA 1.334 56.148 54.840 -0.044 0.000 0.759 496 L CB -0.703 41.263 42.059 -0.155 0.000 0.903 496 L HN 0.658 nan 8.230 nan 0.000 0.435 497 D N -0.010 120.390 120.400 0.000 0.000 2.133 497 D HA -0.261 4.393 4.640 0.024 0.000 0.192 497 D C 2.032 178.374 176.300 0.070 0.000 1.001 497 D CA 1.400 55.414 54.000 0.024 0.000 0.844 497 D CB -0.400 40.407 40.800 0.011 0.000 0.944 497 D HN 0.183 nan 8.370 nan 0.000 0.447 498 L N 0.461 121.736 121.223 0.087 0.000 2.017 498 L HA -0.105 4.249 4.340 0.024 0.000 0.208 498 L C 2.150 179.181 176.870 0.268 0.000 1.073 498 L CA 1.379 56.316 54.840 0.162 0.000 0.745 498 L CB -0.391 41.761 42.059 0.155 0.000 0.894 498 L HN 0.016 nan 8.230 nan 0.000 0.432 499 I N -0.868 119.818 120.570 0.194 0.000 2.163 499 I HA -0.323 3.861 4.170 0.024 0.000 0.243 499 I C 2.569 178.851 176.117 0.275 0.000 1.085 499 I CA 1.184 62.615 61.300 0.219 0.000 1.347 499 I CB -0.455 37.629 38.000 0.140 0.000 1.044 499 I HN 0.362 nan 8.210 nan 0.000 0.408 500 Q N 0.666 120.580 119.800 0.191 0.000 2.082 500 Q HA -0.278 4.076 4.340 0.024 0.000 0.211 500 Q C 2.198 178.329 176.000 0.218 0.000 1.002 500 Q CA 1.882 57.783 55.803 0.164 0.000 0.868 500 Q CB -0.335 28.448 28.738 0.076 0.000 0.931 500 Q HN 0.397 nan 8.270 nan 0.000 0.414 501 Q N -1.332 118.573 119.800 0.174 0.000 2.234 501 Q HA -0.155 4.199 4.340 0.024 0.000 0.206 501 Q C 1.870 177.913 176.000 0.072 0.000 0.980 501 Q CA 1.279 57.140 55.803 0.097 0.000 0.869 501 Q CB -0.268 28.483 28.738 0.021 0.000 0.912 501 Q HN 0.558 nan 8.270 nan 0.000 0.436 502 Y N -1.114 119.269 120.300 0.138 0.000 2.176 502 Y HA -0.216 4.348 4.550 0.024 0.000 0.291 502 Y C 2.193 178.255 175.900 0.269 0.000 1.122 502 Y CA 1.183 59.380 58.100 0.162 0.000 1.128 502 Y CB -0.720 37.814 38.460 0.123 0.000 1.005 502 Y HN 0.107 nan 8.280 nan 0.000 0.509 503 Y N 0.583 121.064 120.300 0.301 0.000 2.096 503 Y HA -0.375 4.189 4.550 0.024 0.000 0.276 503 Y C 2.077 178.156 175.900 0.298 0.000 1.209 503 Y CA 1.995 60.234 58.100 0.233 0.000 1.137 503 Y CB -0.658 37.873 38.460 0.119 0.000 0.956 503 Y HN 0.071 nan 8.280 nan 0.000 0.506 504 L N -0.652 120.805 121.223 0.390 0.000 2.201 504 L HA -0.168 4.186 4.340 0.024 0.000 0.212 504 L C 2.351 179.318 176.870 0.162 0.000 1.105 504 L CA 1.645 56.650 54.840 0.274 0.000 0.775 504 L CB -0.680 41.506 42.059 0.211 0.000 0.913 504 L HN 0.410 nan 8.230 nan 0.000 0.440 505 T N -3.657 110.974 114.554 0.128 0.000 3.113 505 T HA -0.041 4.323 4.350 0.024 0.000 0.256 505 T C 0.537 175.242 174.700 0.008 0.000 1.131 505 T CA -0.177 61.945 62.100 0.036 0.000 1.074 505 T CB -0.424 68.418 68.868 -0.044 0.000 0.944 505 T HN -0.091 nan 8.240 nan 0.000 0.516 506 F N 3.001 122.889 119.950 -0.103 0.000 2.504 506 F HA 0.299 4.840 4.527 0.024 0.000 0.369 506 F C 0.799 176.458 175.800 -0.236 0.000 1.082 506 F CA -0.669 57.169 58.000 -0.271 0.000 1.216 506 F CB 0.377 39.061 39.000 -0.526 0.000 1.108 506 F HN 0.072 nan 8.300 nan 0.000 0.554 507 N N 5.283 123.832 118.700 -0.250 0.000 2.437 507 N HA 0.162 4.917 4.740 0.024 0.000 0.259 507 N C -0.382 175.099 175.510 -0.049 0.000 0.983 507 N CA -0.142 52.861 53.050 -0.078 0.000 0.937 507 N CB 0.600 39.036 38.487 -0.085 0.000 1.122 507 N HN 0.605 nan 8.380 nan 0.000 0.499 508 F N 0.987 121.006 119.950 0.115 0.000 2.683 508 F HA 0.279 4.820 4.527 0.024 0.000 0.306 508 F C 0.732 176.616 175.800 0.139 0.000 1.102 508 F CA -0.336 57.760 58.000 0.160 0.000 1.244 508 F CB 0.674 39.741 39.000 0.113 0.000 1.029 508 F HN 0.380 nan 8.300 nan 0.000 0.545 509 D N -1.343 119.203 120.400 0.243 0.000 3.035 509 D HA 0.126 4.780 4.640 0.024 0.000 0.248 509 D C -0.437 175.929 176.300 0.110 0.000 1.260 509 D CA -0.207 53.899 54.000 0.177 0.000 1.058 509 D CB 0.453 41.338 40.800 0.142 0.000 1.262 509 D HN -0.231 nan 8.370 nan 0.000 0.633 510 N N 1.618 120.368 118.700 0.084 0.000 2.667 510 N HA -0.230 4.524 4.740 0.024 0.000 0.263 510 N C -0.878 174.669 175.510 0.062 0.000 1.038 510 N CA 0.518 53.603 53.050 0.060 0.000 0.749 510 N CB -0.984 37.526 38.487 0.039 0.000 0.892 510 N HN 0.328 nan 8.380 nan 0.000 0.546 511 E N 1.303 121.549 120.200 0.077 0.000 2.223 511 E HA 0.195 4.559 4.350 0.024 0.000 0.282 511 E C -1.889 174.748 176.600 0.062 0.000 1.046 511 E CA -1.725 54.724 56.400 0.083 0.000 0.857 511 E CB 0.593 30.350 29.700 0.096 0.000 1.055 511 E HN 0.273 nan 8.360 nan 0.000 0.409 512 P HA -0.103 nan 4.420 nan 0.000 0.263 512 P C -0.462 176.884 177.300 0.077 0.000 1.175 512 P CA 0.531 63.661 63.100 0.050 0.000 0.761 512 P CB 0.580 32.287 31.700 0.011 0.000 0.794 513 E N 1.710 121.982 120.200 0.120 0.000 2.376 513 E HA 0.103 4.467 4.350 0.024 0.000 0.254 513 E C 0.224 176.871 176.600 0.078 0.000 1.213 513 E CA -0.433 56.017 56.400 0.084 0.000 0.945 513 E CB 0.473 30.214 29.700 0.068 0.000 1.057 513 E HN 0.355 nan 8.360 nan 0.000 0.479 514 N N 1.298 120.027 118.700 0.047 0.000 2.426 514 N HA 0.218 4.972 4.740 0.024 0.000 0.257 514 N C -0.917 174.615 175.510 0.037 0.000 1.002 514 N CA -0.305 52.779 53.050 0.058 0.000 0.942 514 N CB -0.063 38.452 38.487 0.046 0.000 1.112 514 N HN 0.381 nan 8.380 nan 0.000 0.499 515 I N 0.106 120.710 120.570 0.057 0.000 2.648 515 I HA 0.596 4.780 4.170 0.024 0.000 0.304 515 I C 0.281 176.428 176.117 0.049 0.000 1.009 515 I CA -1.047 60.266 61.300 0.022 0.000 1.114 515 I CB 1.834 39.838 38.000 0.005 0.000 1.293 515 I HN 0.391 nan 8.210 nan 0.000 0.449 516 S N 6.122 121.835 115.700 0.021 0.000 2.548 516 S HA 0.705 5.189 4.470 0.024 0.000 0.277 516 S C -0.231 174.401 174.600 0.052 0.000 1.315 516 S CA -0.582 57.633 58.200 0.026 0.000 1.050 516 S CB 0.406 63.607 63.200 0.000 0.000 0.918 516 S HN 0.731 nan 8.310 nan 0.000 0.497 517 I N -1.389 119.212 120.570 0.051 0.000 2.730 517 I HA 0.568 4.752 4.170 0.024 0.000 0.298 517 I C -0.455 175.673 176.117 0.017 0.000 1.089 517 I CA -1.262 60.079 61.300 0.068 0.000 1.041 517 I CB 1.742 39.797 38.000 0.090 0.000 1.235 517 I HN 0.513 nan 8.210 nan 0.000 0.423 518 E N 3.323 123.534 120.200 0.019 0.000 2.415 518 E HA 0.057 4.421 4.350 0.024 0.000 0.263 518 E C -0.603 175.978 176.600 -0.032 0.000 0.995 518 E CA -0.165 56.227 56.400 -0.012 0.000 0.915 518 E CB 0.287 29.988 29.700 0.001 0.000 0.951 518 E HN 0.422 nan 8.360 nan 0.000 0.449 519 N N 2.390 121.051 118.700 -0.066 0.000 2.356 519 N HA -0.043 4.712 4.740 0.024 0.000 0.252 519 N C -0.548 174.961 175.510 -0.001 0.000 1.241 519 N CA 0.274 53.277 53.050 -0.078 0.000 0.861 519 N CB 0.307 38.658 38.487 -0.227 0.000 1.075 519 N HN 0.256 nan 8.380 nan 0.000 0.461 520 L N 0.526 121.789 121.223 0.066 0.000 2.387 520 L HA 0.385 4.740 4.340 0.024 0.000 0.266 520 L C 0.979 177.949 176.870 0.167 0.000 1.059 520 L CA -0.633 54.247 54.840 0.066 0.000 0.801 520 L CB 0.439 42.505 42.059 0.012 0.000 1.223 520 L HN 0.611 nan 8.230 nan 0.000 0.456 521 S N -0.435 115.315 115.700 0.083 0.000 2.566 521 S HA -0.008 4.476 4.470 0.024 0.000 0.280 521 S C 1.406 175.986 174.600 -0.033 0.000 1.343 521 S CA 0.069 58.315 58.200 0.077 0.000 1.036 521 S CB 0.247 63.451 63.200 0.006 0.000 0.866 521 S HN 0.713 nan 8.310 nan 0.000 0.526 522 S N 0.488 116.095 115.700 -0.155 0.000 2.392 522 S HA -0.207 4.277 4.470 0.024 0.000 0.232 522 S C 0.286 174.651 174.600 -0.392 0.000 1.041 522 S CA 1.434 59.300 58.200 -0.557 0.000 1.026 522 S CB -0.675 62.293 63.200 -0.388 0.000 0.845 522 S HN 0.814 nan 8.310 nan 0.000 0.465 523 D N 1.401 121.668 120.400 -0.222 0.000 2.461 523 D HA 0.410 5.065 4.640 0.024 0.000 0.240 523 D C -0.614 175.599 176.300 -0.146 0.000 1.094 523 D CA -0.335 53.556 54.000 -0.182 0.000 0.868 523 D CB 1.148 41.864 40.800 -0.141 0.000 1.062 523 D HN 0.366 nan 8.370 nan 0.000 0.530 524 I N 3.129 123.600 120.570 -0.165 0.000 2.587 524 I HA 0.004 4.189 4.170 0.024 0.000 0.284 524 I C 0.359 176.384 176.117 -0.154 0.000 1.134 524 I CA 0.089 61.295 61.300 -0.157 0.000 1.410 524 I CB 0.300 38.182 38.000 -0.197 0.000 1.392 524 I HN 0.124 nan 8.210 nan 0.000 0.545 525 I N 6.066 126.567 120.570 -0.115 0.000 2.321 525 I HA 0.655 4.840 4.170 0.024 0.000 0.291 525 I C 0.566 176.639 176.117 -0.073 0.000 0.998 525 I CA 0.235 61.485 61.300 -0.083 0.000 1.227 525 I CB 1.502 39.469 38.000 -0.056 0.000 1.368 525 I HN 0.685 nan 8.210 nan 0.000 0.466 526 G N 4.334 113.114 108.800 -0.035 0.000 2.691 526 G HA2 0.558 4.532 3.960 0.024 0.000 0.298 526 G HA3 0.558 4.532 3.960 0.024 0.000 0.298 526 G C -1.618 173.445 174.900 0.273 0.000 1.471 526 G CA -0.683 44.461 45.100 0.074 0.000 0.912 526 G HN 0.331 nan 8.290 nan 0.000 0.553 527 Q N 0.237 120.194 119.800 0.262 0.000 2.205 527 Q HA 0.636 4.991 4.340 0.024 0.000 0.249 527 Q C 0.613 176.706 176.000 0.155 0.000 0.948 527 Q CA -0.618 55.303 55.803 0.196 0.000 0.895 527 Q CB 1.945 30.736 28.738 0.087 0.000 1.249 527 Q HN 0.542 nan 8.270 nan 0.000 0.458 528 L N 0.952 122.115 121.223 -0.100 0.000 2.473 528 L HA 0.088 4.442 4.340 0.024 0.000 0.268 528 L C 0.499 177.304 176.870 -0.109 0.000 1.215 528 L CA 0.021 54.660 54.840 -0.334 0.000 0.823 528 L CB 0.369 42.235 42.059 -0.321 0.000 1.099 528 L HN 0.627 nan 8.230 nan 0.000 0.483 529 E N 1.762 121.912 120.200 -0.083 0.000 2.328 529 E HA 0.028 4.392 4.350 0.024 0.000 0.265 529 E C -0.578 176.028 176.600 0.009 0.000 1.057 529 E CA -0.669 55.741 56.400 0.016 0.000 0.916 529 E CB 0.659 30.397 29.700 0.063 0.000 0.993 529 E HN 0.186 nan 8.360 nan 0.000 0.446 530 L N 6.122 127.358 121.223 0.023 0.000 2.477 530 L HA 0.051 4.405 4.340 0.024 0.000 0.272 530 L C -0.238 176.647 176.870 0.025 0.000 1.157 530 L CA 0.848 55.699 54.840 0.017 0.000 0.889 530 L CB 0.265 42.338 42.059 0.023 0.000 1.158 530 L HN 0.647 nan 8.230 nan 0.000 0.473 531 M N 6.058 125.668 119.600 0.017 0.000 2.369 531 M HA 0.448 4.942 4.480 0.024 0.000 0.291 531 M C -1.921 174.390 176.300 0.018 0.000 1.178 531 M CA -1.649 53.666 55.300 0.024 0.000 0.996 531 M CB 0.256 32.868 32.600 0.021 0.000 1.472 531 M HN 0.438 nan 8.290 nan 0.000 0.496 532 P HA 0.120 nan 4.420 nan 0.000 0.269 532 P C -0.189 177.109 177.300 -0.003 0.000 1.209 532 P CA 0.355 63.461 63.100 0.011 0.000 0.776 532 P CB 0.481 32.193 31.700 0.019 0.000 0.876 533 N N -0.781 117.910 118.700 -0.015 0.000 2.938 533 N HA -0.185 4.569 4.740 0.024 0.000 0.195 533 N C -0.195 175.295 175.510 -0.034 0.000 0.990 533 N CA 0.543 53.582 53.050 -0.018 0.000 1.020 533 N CB -1.674 36.811 38.487 -0.004 0.000 0.986 533 N HN 0.385 nan 8.380 nan 0.000 0.575 534 I N 2.771 123.315 120.570 -0.043 0.000 2.618 534 I HA 0.125 4.310 4.170 0.024 0.000 0.284 534 I C 0.437 176.459 176.117 -0.158 0.000 1.146 534 I CA 0.080 61.333 61.300 -0.078 0.000 1.425 534 I CB 0.400 38.365 38.000 -0.058 0.000 1.383 534 I HN 0.097 nan 8.210 nan 0.000 0.562 535 E N 7.164 127.243 120.200 -0.201 0.000 2.280 535 E HA 0.361 4.726 4.350 0.024 0.000 0.264 535 E C -0.441 175.902 176.600 -0.428 0.000 1.064 535 E CA -0.969 55.297 56.400 -0.224 0.000 0.900 535 E CB 0.696 30.319 29.700 -0.129 0.000 1.123 535 E HN 0.398 nan 8.360 nan 0.000 0.418 536 R N 1.880 122.197 120.500 -0.304 0.000 2.296 536 R HA 0.160 4.514 4.340 0.024 0.000 0.323 536 R C -0.343 175.809 176.300 -0.247 0.000 1.067 536 R CA -0.035 55.870 56.100 -0.325 0.000 0.946 536 R CB -0.213 30.007 30.300 -0.134 0.000 0.991 536 R HN 0.392 nan 8.270 nan 0.000 0.448 537 F N 4.282 124.172 119.950 -0.100 0.000 2.563 537 F HA 0.077 4.619 4.527 0.024 0.000 0.363 537 F C -1.145 174.607 175.800 -0.080 0.000 1.123 537 F CA -1.620 56.315 58.000 -0.108 0.000 1.307 537 F CB -0.049 38.846 39.000 -0.176 0.000 1.115 537 F HN 0.256 nan 8.300 nan 0.000 0.592 538 P HA 0.052 nan 4.420 nan 0.000 0.276 538 P C -0.937 176.380 177.300 0.029 0.000 1.235 538 P CA -0.285 62.848 63.100 0.056 0.000 0.772 538 P CB 0.532 32.249 31.700 0.029 0.000 0.871 539 N N 2.153 120.861 118.700 0.014 0.000 2.457 539 N HA 0.282 5.036 4.740 0.024 0.000 0.250 539 N C 0.192 175.583 175.510 -0.198 0.000 0.982 539 N CA -0.045 52.992 53.050 -0.022 0.000 0.941 539 N CB 0.278 38.819 38.487 0.091 0.000 1.120 539 N HN 0.549 nan 8.380 nan 0.000 0.505 540 G N 3.814 112.388 108.800 -0.377 0.000 2.866 540 G HA2 -0.190 3.784 3.960 0.024 0.000 0.339 540 G HA3 -0.190 3.784 3.960 0.024 0.000 0.339 540 G C -0.261 174.428 174.900 -0.352 0.000 0.181 540 G CA 0.677 45.459 45.100 -0.529 0.000 1.226 540 G HN 0.720 nan 8.290 nan 0.000 0.395 541 K N -0.297 120.008 120.400 -0.158 0.000 4.683 541 K HA -0.118 4.216 4.320 0.024 0.000 0.872 541 K C -0.061 176.523 176.600 -0.028 0.000 1.421 541 K CA 0.717 56.952 56.287 -0.087 0.000 1.471 541 K CB -1.026 31.486 32.500 0.021 0.000 2.620 541 K HN 0.784 nan 8.250 nan 0.000 0.261 542 K N 2.948 123.253 120.400 -0.159 0.000 2.156 542 K HA 0.603 4.938 4.320 0.024 0.000 0.271 542 K C -0.873 175.566 176.600 -0.269 0.000 0.995 542 K CA -0.351 55.883 56.287 -0.088 0.000 0.890 542 K CB 0.608 33.060 32.500 -0.080 0.000 1.073 542 K HN 0.306 nan 8.250 nan 0.000 0.454 543 Y N 1.511 121.816 120.300 0.008 0.000 2.329 543 Y HA 0.317 4.881 4.550 0.024 0.000 0.328 543 Y C 0.199 176.101 175.900 0.003 0.000 0.992 543 Y CA -0.790 57.319 58.100 0.016 0.000 1.151 543 Y CB 1.920 40.413 38.460 0.055 0.000 1.150 543 Y HN 0.622 nan 8.280 nan 0.000 0.450 544 E N 4.871 125.122 120.200 0.084 0.000 2.134 544 E HA 0.585 4.950 4.350 0.024 0.000 0.278 544 E C -0.964 175.640 176.600 0.007 0.000 0.959 544 E CA -0.390 56.029 56.400 0.031 0.000 0.783 544 E CB 1.553 31.252 29.700 -0.001 0.000 1.095 544 E HN 0.528 nan 8.360 nan 0.000 0.399 545 L N 1.826 123.020 121.223 -0.049 0.000 2.279 545 L HA 0.393 4.747 4.340 0.024 0.000 0.262 545 L C 0.672 177.458 176.870 -0.140 0.000 1.019 545 L CA -0.749 54.027 54.840 -0.107 0.000 0.823 545 L CB 1.597 43.522 42.059 -0.223 0.000 1.358 545 L HN 0.529 nan 8.230 nan 0.000 0.432 546 D N 0.059 120.379 120.400 -0.134 0.000 2.431 546 D HA 0.034 4.688 4.640 0.024 0.000 0.235 546 D C 0.565 176.760 176.300 -0.176 0.000 0.980 546 D CA 0.658 54.584 54.000 -0.123 0.000 0.912 546 D CB 0.661 41.424 40.800 -0.062 0.000 1.056 546 D HN 0.495 nan 8.370 nan 0.000 0.494 547 K N 0.736 121.034 120.400 -0.171 0.000 2.090 547 K HA 0.291 4.626 4.320 0.024 0.000 0.249 547 K C -0.448 175.955 176.600 -0.329 0.000 0.995 547 K CA -0.475 55.705 56.287 -0.179 0.000 0.914 547 K CB -0.484 31.980 32.500 -0.060 0.000 1.057 547 K HN -0.038 nan 8.250 nan 0.000 0.462 548 Y N 1.350 121.580 120.300 -0.116 0.000 2.632 548 Y HA 0.140 4.705 4.550 0.024 0.000 0.329 548 Y C 1.812 177.636 175.900 -0.126 0.000 1.174 548 Y CA 0.572 58.572 58.100 -0.167 0.000 1.469 548 Y CB 0.505 39.025 38.460 0.099 0.000 1.242 548 Y HN 0.769 nan 8.280 nan 0.000 0.540 549 T N 1.528 116.039 114.554 -0.071 0.000 2.788 549 T HA 0.189 4.554 4.350 0.024 0.000 0.280 549 T C 1.172 176.008 174.700 0.227 0.000 0.984 549 T CA -0.619 61.547 62.100 0.110 0.000 0.972 549 T CB 0.726 69.729 68.868 0.226 0.000 1.039 549 T HN 0.796 nan 8.240 nan 0.000 0.530 550 M N -0.195 119.443 119.600 0.063 0.000 2.492 550 M HA 0.186 4.680 4.480 0.024 0.000 0.262 550 M C 1.355 177.686 176.300 0.052 0.000 1.090 550 M CA 1.240 56.523 55.300 -0.028 0.000 1.110 550 M CB -0.705 31.788 32.600 -0.178 0.000 1.407 550 M HN 0.567 nan 8.290 nan 0.000 0.470 551 F N 0.646 120.800 119.950 0.341 0.000 2.186 551 F HA -0.090 4.451 4.527 0.024 0.000 0.299 551 F C 2.137 178.085 175.800 0.247 0.000 1.090 551 F CA 1.337 59.503 58.000 0.276 0.000 1.307 551 F CB -0.716 38.440 39.000 0.261 0.000 1.019 551 F HN 0.245 nan 8.300 nan 0.000 0.489 552 H N -1.886 117.409 119.070 0.374 0.000 2.333 552 H HA -0.122 4.448 4.556 0.024 0.000 0.302 552 H C 1.780 177.244 175.328 0.226 0.000 1.075 552 H CA 1.595 57.818 56.048 0.292 0.000 1.348 552 H CB -0.728 29.238 29.762 0.340 0.000 1.393 552 H HN 0.125 nan 8.280 nan 0.000 0.509 553 Y N -0.419 119.994 120.300 0.187 0.000 2.403 553 Y HA -0.126 4.439 4.550 0.024 0.000 0.291 553 Y C 2.083 178.074 175.900 0.151 0.000 1.143 553 Y CA 0.575 58.706 58.100 0.052 0.000 1.257 553 Y CB -0.082 38.384 38.460 0.010 0.000 0.984 553 Y HN 0.174 nan 8.280 nan 0.000 0.550 554 L N -0.753 120.660 121.223 0.316 0.000 2.249 554 L HA -0.006 4.349 4.340 0.024 0.000 0.207 554 L C 2.367 179.372 176.870 0.226 0.000 1.090 554 L CA 1.269 56.270 54.840 0.268 0.000 0.802 554 L CB -0.548 41.662 42.059 0.251 0.000 0.947 554 L HN -0.052 nan 8.230 nan 0.000 0.453 555 R N 0.147 120.766 120.500 0.198 0.000 2.073 555 R HA 0.007 4.362 4.340 0.024 0.000 0.229 555 R C 2.190 178.572 176.300 0.136 0.000 1.120 555 R CA 1.473 57.662 56.100 0.149 0.000 0.967 555 R CB -0.815 29.540 30.300 0.093 0.000 0.862 555 R HN 0.315 nan 8.270 nan 0.000 0.436 556 A N 0.707 123.596 122.820 0.114 0.000 1.940 556 A HA -0.297 4.037 4.320 0.024 0.000 0.221 556 A C 2.003 179.689 177.584 0.170 0.000 1.190 556 A CA 2.055 54.152 52.037 0.101 0.000 0.647 556 A CB -0.690 18.313 19.000 0.005 0.000 0.821 556 A HN 0.594 nan 8.150 nan 0.000 0.457 557 Q N -0.305 119.623 119.800 0.215 0.000 2.436 557 Q HA -0.020 4.334 4.340 0.024 0.000 0.209 557 Q C 0.358 176.483 176.000 0.208 0.000 0.965 557 Q CA 0.450 56.370 55.803 0.195 0.000 0.910 557 Q CB 0.056 28.927 28.738 0.222 0.000 0.980 557 Q HN 0.769 nan 8.270 nan 0.000 0.491 558 E N -0.170 120.150 120.200 0.201 0.000 2.292 558 E HA 0.474 4.838 4.350 0.024 0.000 0.258 558 E C -0.588 176.196 176.600 0.308 0.000 1.115 558 E CA -0.457 56.055 56.400 0.188 0.000 0.929 558 E CB 0.803 30.563 29.700 0.101 0.000 1.161 558 E HN 0.013 nan 8.360 nan 0.000 0.453 559 F N -3.401 116.575 119.950 0.044 0.000 2.858 559 F HA 0.651 5.193 4.527 0.024 0.000 0.319 559 F C 0.081 175.897 175.800 0.027 0.000 1.166 559 F CA 0.040 58.059 58.000 0.031 0.000 0.899 559 F CB 0.721 39.733 39.000 0.021 0.000 1.332 559 F HN 0.502 nan 8.300 nan 0.000 0.461 560 E N -1.400 118.821 120.200 0.035 0.000 1.088 560 E HA 0.197 4.562 4.350 0.024 0.000 0.204 560 E C 0.119 176.855 176.600 0.228 0.000 0.982 560 E CA 1.105 57.710 56.400 0.342 0.000 0.845 560 E CB -1.715 nan 29.700 nan 0.000 4.909 560 E HN 2.479 nan 8.360 nan 0.000 0.575 561 H N -1.098 118.072 119.070 0.168 0.000 3.587 561 H HA 0.690 5.260 4.556 0.024 0.000 0.268 561 H C 1.204 176.561 175.328 0.049 0.000 1.128 561 H CA 1.199 57.286 56.048 0.066 0.000 1.120 561 H CB 0.340 nan 29.762 nan 0.000 2.239 561 H HN 1.929 nan 8.280 nan 0.000 0.826 562 G N -0.487 108.373 108.800 0.100 0.000 2.944 562 G HA2 0.508 4.482 3.960 0.024 0.000 0.471 562 G HA3 0.508 4.482 3.960 0.024 0.000 0.471 562 G C -0.076 174.886 174.900 0.104 0.000 1.388 562 G CA 0.459 45.637 45.100 0.130 0.000 1.087 562 G HN 1.137 nan 8.290 nan 0.000 0.596 563 K N 0.862 121.293 120.400 0.051 0.000 3.237 563 K HA 0.915 5.249 4.320 0.024 0.000 0.182 563 K C 1.903 178.486 176.600 -0.029 0.000 1.145 563 K CA 1.367 57.671 56.287 0.028 0.000 1.470 563 K CB -1.070 nan 32.500 nan 0.000 2.031 563 K HN 2.513 nan 8.250 nan 0.000 0.521 564 S N 0.477 116.150 115.700 -0.046 0.000 3.159 564 S HA 0.407 4.891 4.470 0.024 0.000 0.375 564 S C 1.166 175.607 174.600 -0.264 0.000 1.068 564 S CA 1.961 60.092 58.200 -0.115 0.000 1.678 564 S CB -1.947 nan 63.200 nan 0.000 1.160 564 S HN 2.052 nan 8.310 nan 0.000 0.605 565 R N -1.594 118.600 120.500 -0.510 0.000 3.908 565 R HA -0.045 4.309 4.340 0.024 0.000 0.381 565 R C 1.423 177.200 176.300 -0.873 0.000 1.135 565 R CA 2.039 57.308 56.100 -1.385 0.000 0.990 565 R CB -2.903 nan 30.300 nan 0.000 1.557 565 R HN 2.208 nan 8.270 nan 0.000 0.535 566 I N -1.438 118.881 120.570 -0.419 0.000 4.591 566 I HA 0.777 4.961 4.170 0.024 0.000 0.141 566 I C 2.342 178.344 176.117 -0.192 0.000 0.985 566 I CA 1.215 62.379 61.300 -0.227 0.000 1.386 566 I CB -1.518 nan 38.000 nan 0.000 1.243 566 I HN 2.485 nan 8.210 nan 0.000 0.449 567 A N -0.087 122.625 122.820 -0.180 0.000 1.867 567 A HA 0.061 4.395 4.320 0.024 0.000 0.248 567 A C -0.250 177.298 177.584 -0.060 0.000 1.313 567 A CA 0.929 52.853 52.037 -0.188 0.000 0.732 567 A CB -2.244 16.598 19.000 -0.263 0.000 1.196 567 A HN 1.540 nan 8.150 nan 0.000 0.275 568 L N 2.590 123.789 121.223 -0.040 0.000 2.356 568 L HA 0.403 4.757 4.340 0.024 0.000 0.264 568 L C 0.836 177.699 176.870 -0.010 0.000 1.029 568 L CA 0.126 54.968 54.840 0.003 0.000 0.897 568 L CB 1.690 43.763 42.059 0.023 0.000 1.256 568 L HN 0.693 nan 8.230 nan 0.000 0.444 569 T N 2.141 116.685 114.554 -0.017 0.000 2.902 569 T HA 0.200 4.564 4.350 0.024 0.000 0.301 569 T C -0.122 174.572 174.700 -0.010 0.000 1.012 569 T CA -0.197 61.884 62.100 -0.032 0.000 1.151 569 T CB 0.093 68.937 68.868 -0.040 0.000 0.946 569 T HN 0.714 nan 8.240 nan 0.000 0.542 570 N N 2.982 121.674 118.700 -0.012 0.000 2.369 570 N HA 0.243 4.997 4.740 0.024 0.000 0.287 570 N C -0.949 174.593 175.510 0.054 0.000 1.067 570 N CA -0.705 52.355 53.050 0.016 0.000 0.888 570 N CB 1.761 40.264 38.487 0.028 0.000 1.616 570 N HN 0.500 nan 8.380 nan 0.000 0.482 571 S N 0.193 115.934 115.700 0.068 0.000 2.617 571 S HA 0.326 4.811 4.470 0.024 0.000 0.259 571 S C 0.150 174.845 174.600 0.158 0.000 1.301 571 S CA -0.358 57.964 58.200 0.204 0.000 0.984 571 S CB 0.269 63.555 63.200 0.143 0.000 0.954 571 S HN 0.876 nan 8.310 nan 0.000 0.572 572 V N 2.034 122.026 119.914 0.130 0.000 5.673 572 V HA -0.162 3.972 4.120 0.024 0.000 0.301 572 V C -0.078 175.958 176.094 -0.096 0.000 0.635 572 V CA 0.214 62.502 62.300 -0.019 0.000 1.074 572 V CB -2.145 29.689 31.823 0.018 0.000 1.240 572 V HN 0.990 nan 8.190 nan 0.000 0.467 573 N N 2.345 120.878 118.700 -0.278 0.000 2.430 573 N HA 0.289 5.043 4.740 0.024 0.000 0.265 573 N C -0.162 175.149 175.510 -0.331 0.000 1.100 573 N CA -0.505 52.360 53.050 -0.309 0.000 0.961 573 N CB 1.180 39.380 38.487 -0.478 0.000 1.075 573 N HN 0.622 nan 8.380 nan 0.000 0.478 574 E N 1.382 121.491 120.200 -0.152 0.000 1.985 574 E HA 0.178 4.542 4.350 0.024 0.000 0.268 574 E C 0.616 177.181 176.600 -0.059 0.000 1.219 574 E CA -0.308 56.042 56.400 -0.083 0.000 0.942 574 E CB 0.477 30.176 29.700 -0.002 0.000 1.045 574 E HN 0.700 nan 8.360 nan 0.000 0.413 575 A N 3.489 126.267 122.820 -0.069 0.000 1.844 575 A HA -0.101 4.233 4.320 0.024 0.000 0.212 575 A C 1.595 179.182 177.584 0.005 0.000 1.221 575 A CA 0.529 52.560 52.037 -0.010 0.000 0.607 575 A CB -0.443 18.573 19.000 0.027 0.000 0.878 575 A HN 0.564 nan 8.150 nan 0.000 0.451 576 L N -0.648 120.576 121.223 0.001 0.000 2.402 576 L HA -0.316 4.038 4.340 0.024 0.000 0.240 576 L C 1.756 178.647 176.870 0.034 0.000 1.135 576 L CA 2.354 57.211 54.840 0.028 0.000 0.830 576 L CB -1.259 40.823 42.059 0.039 0.000 0.988 576 L HN 0.479 nan 8.230 nan 0.000 0.428 577 L N -0.264 120.977 121.223 0.031 0.000 2.949 577 L HA -0.051 4.304 4.340 0.024 0.000 0.263 577 L C 0.673 177.559 176.870 0.027 0.000 1.190 577 L CA -0.075 54.784 54.840 0.032 0.000 1.022 577 L CB -1.177 40.903 42.059 0.034 0.000 1.313 577 L HN 0.408 nan 8.230 nan 0.000 0.413 578 N N -0.600 118.117 118.700 0.028 0.000 3.427 578 N HA 0.573 5.327 4.740 0.024 0.000 0.364 578 N C -2.465 173.064 175.510 0.032 0.000 1.538 578 N CA -1.336 51.729 53.050 0.025 0.000 0.662 578 N CB 0.540 39.038 38.487 0.018 0.000 1.881 578 N HN -0.233 nan 8.380 nan 0.000 0.634 579 P HA 0.336 nan 4.420 nan 0.000 0.285 579 P C -0.926 176.375 177.300 0.002 0.000 1.280 579 P CA -0.288 62.825 63.100 0.022 0.000 0.862 579 P CB 0.953 32.669 31.700 0.026 0.000 1.153 580 S N 0.794 116.490 115.700 -0.007 0.000 4.087 580 S HA 0.109 4.593 4.470 0.024 0.000 0.213 580 S C 0.151 174.754 174.600 0.004 0.000 1.415 580 S CA -0.581 57.608 58.200 -0.018 0.000 0.893 580 S CB -1.082 62.095 63.200 -0.038 0.000 1.529 580 S HN 0.204 nan 8.310 nan 0.000 0.457 581 R N 1.467 121.984 120.500 0.029 0.000 2.606 581 R HA 0.261 4.616 4.340 0.024 0.000 0.276 581 R C -0.352 175.988 176.300 0.066 0.000 1.416 581 R CA -0.207 55.921 56.100 0.046 0.000 1.064 581 R CB -0.221 30.114 30.300 0.060 0.000 1.117 581 R HN 0.176 nan 8.270 nan 0.000 0.543 582 V N 4.746 124.685 119.914 0.042 0.000 2.629 582 V HA 0.172 4.307 4.120 0.024 0.000 0.263 582 V C -1.371 174.734 176.094 0.019 0.000 0.959 582 V CA -1.021 61.302 62.300 0.039 0.000 0.869 582 V CB 0.507 32.309 31.823 -0.036 0.000 1.060 582 V HN 0.669 nan 8.190 nan 0.000 0.474 583 Y N 4.688 124.944 120.300 -0.074 0.000 2.326 583 Y HA 0.698 5.262 4.550 0.024 0.000 0.333 583 Y C 0.289 176.080 175.900 -0.181 0.000 1.240 583 Y CA 0.793 58.820 58.100 -0.121 0.000 1.365 583 Y CB 1.718 40.083 38.460 -0.157 0.000 1.289 583 Y HN 0.603 nan 8.280 nan 0.000 0.548 584 T N 5.516 119.322 114.554 -1.246 0.000 2.906 584 T HA 0.368 4.732 4.350 0.024 0.000 0.295 584 T C -0.201 173.555 174.700 -1.572 0.000 1.061 584 T CA -0.749 60.474 62.100 -1.461 0.000 1.000 584 T CB 0.362 68.574 68.868 -1.093 0.000 1.103 584 T HN 0.581 nan 8.240 nan 0.000 0.486 585 F N 1.919 121.245 119.950 -1.040 0.000 2.731 585 F HA 0.505 5.047 4.527 0.024 0.000 0.304 585 F C -0.195 175.499 175.800 -0.177 0.000 1.133 585 F CA -1.119 56.629 58.000 -0.419 0.000 1.380 585 F CB -0.679 38.252 39.000 -0.115 0.000 1.079 585 F HN 0.194 nan 8.300 nan 0.000 0.550 586 F N 0.917 120.617 119.950 -0.415 0.000 2.348 586 F HA 0.507 5.049 4.527 0.024 0.000 0.308 586 F C 0.973 176.705 175.800 -0.115 0.000 1.175 586 F CA -2.486 55.331 58.000 -0.304 0.000 1.080 586 F CB 0.122 38.809 39.000 -0.520 0.000 1.341 586 F HN -0.060 nan 8.300 nan 0.000 0.518 587 S N -1.091 114.708 115.700 0.166 0.000 2.617 587 S HA 0.287 4.771 4.470 0.024 0.000 0.283 587 S C 0.831 175.513 174.600 0.136 0.000 1.189 587 S CA -0.287 57.987 58.200 0.123 0.000 1.036 587 S CB 1.355 64.608 63.200 0.088 0.000 1.014 587 S HN 0.499 nan 8.310 nan 0.000 0.522 588 S N 1.911 117.672 115.700 0.102 0.000 2.425 588 S HA -0.273 4.211 4.470 0.024 0.000 0.256 588 S C 1.368 176.024 174.600 0.095 0.000 1.101 588 S CA 2.107 60.359 58.200 0.087 0.000 1.188 588 S CB -1.022 62.216 63.200 0.064 0.000 1.085 588 S HN 0.880 nan 8.310 nan 0.000 0.439 589 D N -0.564 119.887 120.400 0.084 0.000 2.263 589 D HA -0.195 4.459 4.640 0.024 0.000 0.193 589 D C 1.527 177.891 176.300 0.106 0.000 1.013 589 D CA 1.818 55.863 54.000 0.075 0.000 0.892 589 D CB -0.248 40.587 40.800 0.059 0.000 0.909 589 D HN 0.649 nan 8.370 nan 0.000 0.449 590 Y N 0.421 120.728 120.300 0.012 0.000 2.301 590 Y HA -0.061 4.503 4.550 0.024 0.000 0.295 590 Y C 2.297 178.226 175.900 0.049 0.000 1.126 590 Y CA 0.954 59.065 58.100 0.018 0.000 1.154 590 Y CB -0.211 38.255 38.460 0.011 0.000 1.075 590 Y HN -0.129 nan 8.280 nan 0.000 0.534 591 V N 0.759 120.823 119.914 0.251 0.000 2.324 591 V HA -0.310 3.824 4.120 0.024 0.000 0.250 591 V C 1.983 178.115 176.094 0.064 0.000 1.060 591 V CA 2.506 64.888 62.300 0.138 0.000 1.042 591 V CB -0.553 31.332 31.823 0.103 0.000 0.650 591 V HN 0.415 nan 8.190 nan 0.000 0.450 592 K N 0.222 120.656 120.400 0.057 0.000 2.002 592 K HA -0.210 4.124 4.320 0.024 0.000 0.209 592 K C 2.383 179.000 176.600 0.029 0.000 1.048 592 K CA 1.985 58.294 56.287 0.037 0.000 0.930 592 K CB -0.368 32.152 32.500 0.033 0.000 0.714 592 K HN 0.526 nan 8.250 nan 0.000 0.438 593 K N 1.465 121.864 120.400 -0.001 0.000 2.442 593 K HA -0.104 4.230 4.320 0.024 0.000 0.198 593 K C 1.490 178.149 176.600 0.099 0.000 1.044 593 K CA 1.105 57.394 56.287 0.004 0.000 0.948 593 K CB 0.227 32.676 32.500 -0.084 0.000 0.762 593 K HN 0.147 nan 8.250 nan 0.000 0.472 594 V N -3.299 116.628 119.914 0.022 0.000 3.556 594 V HA 0.221 4.355 4.120 0.024 0.000 0.287 594 V C 0.353 176.612 176.094 0.274 0.000 1.422 594 V CA -0.230 62.190 62.300 0.200 0.000 1.038 594 V CB 0.246 31.964 31.823 -0.175 0.000 0.850 594 V HN 0.087 nan 8.190 nan 0.000 0.437 595 N N 2.473 121.254 118.700 0.135 0.000 2.313 595 N HA 0.152 4.907 4.740 0.024 0.000 0.207 595 N C 0.348 175.888 175.510 0.051 0.000 1.141 595 N CA 0.150 53.258 53.050 0.096 0.000 0.830 595 N CB 0.128 38.651 38.487 0.059 0.000 1.008 595 N HN 0.837 nan 8.380 nan 0.000 0.481 596 K N -0.972 119.443 120.400 0.026 0.000 2.118 596 K HA 0.718 5.052 4.320 0.024 0.000 0.254 596 K C -0.061 176.385 176.600 -0.257 0.000 0.961 596 K CA -0.662 55.564 56.287 -0.101 0.000 0.876 596 K CB 1.797 34.213 32.500 -0.139 0.000 1.077 596 K HN -0.129 nan 8.250 nan 0.000 0.440 597 A N 0.044 122.699 122.820 -0.275 0.000 3.450 597 A HA -0.092 4.243 4.320 0.024 0.000 0.239 597 A C -0.022 177.377 177.584 -0.310 0.000 1.321 597 A CA 0.755 52.655 52.037 -0.229 0.000 0.824 597 A CB -2.232 16.680 19.000 -0.148 0.000 1.024 597 A HN 1.052 nan 8.150 nan 0.000 0.569 598 T N -0.520 113.791 114.554 -0.407 0.000 3.483 598 T HA 0.555 4.919 4.350 0.024 0.000 0.329 598 T C -0.886 173.634 174.700 -0.300 0.000 1.014 598 T CA 0.633 62.477 62.100 -0.427 0.000 1.056 598 T CB 0.951 69.362 68.868 -0.762 0.000 1.090 598 T HN 1.492 nan 8.240 nan 0.000 0.460 599 E N 4.052 124.141 120.200 -0.185 0.000 2.447 599 E HA 0.828 5.192 4.350 0.024 0.000 0.258 599 E C 0.102 176.657 176.600 -0.075 0.000 0.916 599 E CA -0.439 55.897 56.400 -0.107 0.000 0.846 599 E CB 1.212 30.846 29.700 -0.110 0.000 1.517 599 E HN 0.565 nan 8.360 nan 0.000 0.418 600 A N -0.165 122.630 122.820 -0.041 0.000 2.026 600 A HA 0.481 4.815 4.320 0.024 0.000 0.198 600 A C 1.783 179.392 177.584 0.041 0.000 1.390 600 A CA 0.903 52.929 52.037 -0.019 0.000 0.915 600 A CB -0.527 18.437 19.000 -0.060 0.000 0.974 600 A HN 0.630 nan 8.150 nan 0.000 0.477 601 A N -0.742 122.092 122.820 0.024 0.000 2.209 601 A HA 0.141 4.476 4.320 0.024 0.000 0.212 601 A C 1.764 179.382 177.584 0.056 0.000 1.158 601 A CA 0.991 53.054 52.037 0.043 0.000 0.742 601 A CB -0.528 18.483 19.000 0.018 0.000 0.790 601 A HN 0.410 nan 8.150 nan 0.000 0.472 602 M N -1.644 117.982 119.600 0.044 0.000 2.494 602 M HA 0.164 4.659 4.480 0.024 0.000 0.232 602 M C 1.196 177.533 176.300 0.061 0.000 1.137 602 M CA 0.324 55.635 55.300 0.019 0.000 1.012 602 M CB -0.175 32.397 32.600 -0.046 0.000 1.567 602 M HN 0.634 nan 8.290 nan 0.000 0.486 603 F N 0.044 119.981 119.950 -0.022 0.000 2.743 603 F HA -0.034 4.508 4.527 0.024 0.000 0.297 603 F C 1.422 177.240 175.800 0.031 0.000 1.131 603 F CA 0.532 58.551 58.000 0.032 0.000 1.426 603 F CB 0.345 39.362 39.000 0.030 0.000 1.116 603 F HN 0.055 nan 8.300 nan 0.000 0.583 604 L N -0.016 121.249 121.223 0.069 0.000 2.200 604 L HA 0.431 4.785 4.340 0.024 0.000 0.200 604 L C 1.509 178.332 176.870 -0.078 0.000 1.072 604 L CA 1.549 56.408 54.840 0.031 0.000 0.787 604 L CB -0.563 41.555 42.059 0.099 0.000 0.957 604 L HN 0.350 nan 8.230 nan 0.000 0.459 605 G N -1.761 107.016 108.800 -0.038 0.000 2.496 605 G HA2 -0.399 3.575 3.960 0.024 0.000 0.243 605 G HA3 -0.399 3.575 3.960 0.024 0.000 0.243 605 G C 0.548 175.440 174.900 -0.013 0.000 1.176 605 G CA 0.204 45.295 45.100 -0.015 0.000 0.940 605 G HN 0.362 nan 8.290 nan 0.000 0.573 606 W N 0.273 121.419 121.300 -0.257 0.000 2.187 606 W HA -0.249 4.426 4.660 0.024 0.000 0.346 606 W C 2.770 179.079 176.519 -0.350 0.000 1.443 606 W CA 3.754 60.903 57.345 -0.328 0.000 1.482 606 W CB -1.249 27.933 29.460 -0.464 0.000 1.062 606 W HN 0.551 nan 8.180 nan 0.000 0.479 607 V N 0.030 119.745 119.914 -0.331 0.000 2.232 607 V HA -0.265 3.870 4.120 0.024 0.000 0.239 607 V C 2.383 178.313 176.094 -0.272 0.000 1.040 607 V CA 2.279 64.293 62.300 -0.477 0.000 0.996 607 V CB -1.041 30.425 31.823 -0.595 0.000 0.638 607 V HN 0.031 nan 8.190 nan 0.000 0.453 608 E N -0.013 120.089 120.200 -0.164 0.000 2.239 608 E HA -0.420 3.944 4.350 0.024 0.000 0.240 608 E C 2.096 178.676 176.600 -0.032 0.000 1.079 608 E CA 2.531 58.892 56.400 -0.065 0.000 0.991 608 E CB -0.777 28.908 29.700 -0.024 0.000 0.863 608 E HN 0.671 nan 8.360 nan 0.000 0.491 609 Q N -0.226 119.548 119.800 -0.044 0.000 2.248 609 Q HA -0.119 4.235 4.340 0.024 0.000 0.208 609 Q C 2.298 178.276 176.000 -0.037 0.000 0.984 609 Q CA 0.966 56.760 55.803 -0.015 0.000 0.875 609 Q CB -0.106 28.613 28.738 -0.031 0.000 0.910 609 Q HN 0.324 nan 8.270 nan 0.000 0.433 610 L N -0.933 120.195 121.223 -0.159 0.000 2.567 610 L HA -0.004 4.351 4.340 0.024 0.000 0.225 610 L C 1.759 178.599 176.870 -0.049 0.000 1.119 610 L CA -0.132 54.593 54.840 -0.191 0.000 0.871 610 L CB 0.355 42.108 42.059 -0.511 0.000 1.036 610 L HN 0.028 nan 8.230 nan 0.000 0.459 611 V N -1.217 118.677 119.914 -0.034 0.000 2.649 611 V HA -0.232 3.902 4.120 0.024 0.000 0.248 611 V C 1.995 178.148 176.094 0.099 0.000 1.054 611 V CA 1.366 63.677 62.300 0.019 0.000 1.073 611 V CB -0.234 31.575 31.823 -0.023 0.000 0.699 611 V HN 0.401 nan 8.190 nan 0.000 0.463 612 Y N 0.949 121.248 120.300 -0.002 0.000 2.130 612 Y HA -0.249 4.315 4.550 0.024 0.000 0.287 612 Y C 2.514 178.418 175.900 0.007 0.000 1.124 612 Y CA 1.924 60.025 58.100 0.001 0.000 1.118 612 Y CB 0.037 38.487 38.460 -0.016 0.000 0.994 612 Y HN 0.277 nan 8.280 nan 0.000 0.497 613 D N -0.038 120.530 120.400 0.279 0.000 2.126 613 D HA -0.256 4.398 4.640 0.024 0.000 0.190 613 D C 1.855 178.187 176.300 0.053 0.000 1.001 613 D CA 1.678 55.783 54.000 0.174 0.000 0.841 613 D CB -0.608 40.332 40.800 0.233 0.000 0.949 613 D HN 0.311 nan 8.370 nan 0.000 0.446 614 F N 1.015 120.932 119.950 -0.055 0.000 2.091 614 F HA -0.243 4.298 4.527 0.024 0.000 0.299 614 F C 2.353 178.020 175.800 -0.222 0.000 1.103 614 F CA 1.653 59.500 58.000 -0.255 0.000 1.228 614 F CB -0.536 38.404 39.000 -0.100 0.000 0.984 614 F HN -0.056 nan 8.300 nan 0.000 0.477 615 T N -1.105 113.462 114.554 0.022 0.000 3.023 615 T HA -0.143 4.221 4.350 0.024 0.000 0.266 615 T C 1.716 176.363 174.700 -0.090 0.000 1.093 615 T CA 1.149 63.214 62.100 -0.059 0.000 1.129 615 T CB -0.268 68.579 68.868 -0.035 0.000 0.899 615 T HN 0.368 nan 8.240 nan 0.000 0.491 616 D N 1.015 121.396 120.400 -0.032 0.000 2.162 616 D HA -0.065 4.589 4.640 0.024 0.000 0.205 616 D C 2.037 178.242 176.300 -0.158 0.000 0.964 616 D CA 0.703 54.688 54.000 -0.025 0.000 0.847 616 D CB 0.215 41.065 40.800 0.083 0.000 0.988 616 D HN 0.266 nan 8.370 nan 0.000 0.480 617 E N -0.133 119.863 120.200 -0.340 0.000 2.150 617 E HA -0.107 4.258 4.350 0.024 0.000 0.193 617 E C 2.061 178.302 176.600 -0.599 0.000 0.985 617 E CA 1.311 57.377 56.400 -0.556 0.000 0.814 617 E CB 0.083 29.126 29.700 -1.094 0.000 0.752 617 E HN 0.459 nan 8.360 nan 0.000 0.466 618 T N -3.005 111.205 114.554 -0.574 0.000 3.040 618 T HA 0.127 4.492 4.350 0.024 0.000 0.252 618 T C 1.896 176.553 174.700 -0.071 0.000 1.064 618 T CA 0.140 61.973 62.100 -0.445 0.000 1.110 618 T CB 0.161 68.668 68.868 -0.602 0.000 0.921 618 T HN -0.177 nan 8.240 nan 0.000 0.480 619 S N 1.252 116.905 115.700 -0.078 0.000 2.671 619 S HA 0.195 4.679 4.470 0.024 0.000 0.220 619 S C 0.488 175.114 174.600 0.043 0.000 0.951 619 S CA -0.304 57.900 58.200 0.005 0.000 0.932 619 S CB -0.389 62.800 63.200 -0.017 0.000 0.777 619 S HN 0.596 nan 8.310 nan 0.000 0.508 620 E N 1.679 121.929 120.200 0.083 0.000 2.413 620 E HA 0.192 4.556 4.350 0.024 0.000 0.263 620 E C 0.024 176.673 176.600 0.083 0.000 1.015 620 E CA -0.071 56.387 56.400 0.097 0.000 0.916 620 E CB 0.601 30.392 29.700 0.152 0.000 0.947 620 E HN 0.222 nan 8.360 nan 0.000 0.440 621 V N -0.021 119.921 119.914 0.046 0.000 3.149 621 V HA 0.795 4.929 4.120 0.024 0.000 0.310 621 V C -0.277 175.831 176.094 0.023 0.000 1.353 621 V CA -0.793 61.519 62.300 0.021 0.000 1.040 621 V CB 1.637 33.474 31.823 0.024 0.000 1.136 621 V HN 0.593 nan 8.190 nan 0.000 0.477 628 A N 2.846 125.644 122.820 -0.035 0.000 2.701 628 A HA 0.278 4.612 4.320 0.024 0.000 0.241 628 A C 0.631 178.167 177.584 -0.080 0.000 1.231 628 A CA 0.343 52.343 52.037 -0.062 0.000 1.003 628 A CB 0.041 18.986 19.000 -0.091 0.000 1.281 628 A HN 0.700 nan 8.150 nan 0.000 0.600 629 D N -0.314 120.065 120.400 -0.036 0.000 2.431 629 D HA 0.157 4.811 4.640 0.024 0.000 0.227 629 D C 0.431 176.794 176.300 0.106 0.000 1.030 629 D CA 0.327 54.329 54.000 0.005 0.000 0.897 629 D CB 0.161 41.017 40.800 0.093 0.000 1.058 629 D HN 0.372 nan 8.370 nan 0.000 0.500 630 I N 2.397 123.018 120.570 0.086 0.000 2.377 630 I HA 0.094 4.278 4.170 0.024 0.000 0.282 630 I C 0.873 177.055 176.117 0.109 0.000 1.091 630 I CA -0.176 61.185 61.300 0.101 0.000 1.207 630 I CB 1.296 39.358 38.000 0.104 0.000 1.429 630 I HN -0.188 nan 8.210 nan 0.000 0.491 631 T N 4.958 119.569 114.554 0.094 0.000 2.708 631 T HA 0.049 4.413 4.350 0.024 0.000 0.266 631 T C 0.967 175.729 174.700 0.104 0.000 1.037 631 T CA 0.948 63.093 62.100 0.074 0.000 1.146 631 T CB 0.117 69.017 68.868 0.054 0.000 0.865 631 T HN 0.183 nan 8.240 nan 0.000 0.435 632 I N 2.001 122.665 120.570 0.157 0.000 2.330 632 I HA 0.426 4.610 4.170 0.024 0.000 0.289 632 I C -0.429 175.870 176.117 0.303 0.000 1.001 632 I CA -1.133 60.270 61.300 0.173 0.000 1.193 632 I CB 0.876 38.967 38.000 0.151 0.000 1.345 632 I HN 0.193 nan 8.210 nan 0.000 0.461 633 I N 6.416 127.075 120.570 0.149 0.000 2.433 633 I HA 0.378 4.562 4.170 0.024 0.000 0.292 633 I C -0.191 175.778 176.117 -0.247 0.000 1.001 633 I CA -0.752 60.550 61.300 0.004 0.000 1.119 633 I CB 2.376 40.413 38.000 0.061 0.000 1.289 633 I HN 0.206 nan 8.210 nan 0.000 0.438 634 I N 8.306 128.464 120.570 -0.686 0.000 2.282 634 I HA 0.221 4.406 4.170 0.024 0.000 0.290 634 I C -1.655 174.173 176.117 -0.481 0.000 1.090 634 I CA -2.285 58.654 61.300 -0.601 0.000 1.231 634 I CB 0.558 38.063 38.000 -0.825 0.000 1.434 634 I HN 0.291 nan 8.210 nan 0.000 0.487 635 P HA -0.166 nan 4.420 nan 0.000 0.216 635 P C 1.250 178.501 177.300 -0.082 0.000 1.150 635 P CA 1.565 64.683 63.100 0.029 0.000 0.837 635 P CB -0.102 31.658 31.700 0.101 0.000 0.786 636 Y N -2.622 117.586 120.300 -0.153 0.000 2.471 636 Y HA 0.291 4.855 4.550 0.024 0.000 0.286 636 Y C 1.688 177.334 175.900 -0.423 0.000 1.188 636 Y CA -0.357 57.639 58.100 -0.173 0.000 1.286 636 Y CB -1.589 36.861 38.460 -0.016 0.000 1.072 636 Y HN -0.134 nan 8.280 nan 0.000 0.517 637 I N 1.163 121.205 120.570 -0.879 0.000 2.252 637 I HA -0.165 4.020 4.170 0.024 0.000 0.245 637 I C 2.733 178.350 176.117 -0.834 0.000 1.102 637 I CA 1.488 62.229 61.300 -0.933 0.000 1.385 637 I CB -0.691 36.669 38.000 -1.067 0.000 1.064 637 I HN 0.500 nan 8.210 nan 0.000 0.414 638 G N 1.661 109.783 108.800 -1.130 0.000 2.491 638 G HA2 -0.218 3.756 3.960 0.024 0.000 0.218 638 G HA3 -0.218 3.756 3.960 0.024 0.000 0.218 638 G C -0.704 174.070 174.900 -0.211 0.000 1.180 638 G CA 0.972 45.737 45.100 -0.557 0.000 0.774 638 G HN 0.320 nan 8.290 nan 0.000 0.562 639 P HA 0.084 nan 4.420 nan 0.000 0.218 639 P C 2.181 179.678 177.300 0.328 0.000 1.152 639 P CA 1.655 64.872 63.100 0.195 0.000 0.826 639 P CB -0.106 31.770 31.700 0.293 0.000 0.790 640 A N 0.336 123.181 122.820 0.042 0.000 1.837 640 A HA -0.172 4.162 4.320 0.024 0.000 0.216 640 A C 1.895 179.570 177.584 0.153 0.000 1.210 640 A CA 1.835 53.853 52.037 -0.030 0.000 0.632 640 A CB -1.717 16.912 19.000 -0.620 0.000 0.843 640 A HN 0.152 nan 8.150 nan 0.000 0.448 641 L N -0.580 120.592 121.223 -0.083 0.000 2.653 641 L HA 0.171 4.525 4.340 0.024 0.000 0.231 641 L C 0.705 177.392 176.870 -0.305 0.000 1.153 641 L CA 0.217 54.995 54.840 -0.102 0.000 0.933 641 L CB -0.741 41.247 42.059 -0.118 0.000 1.175 641 L HN 0.673 nan 8.230 nan 0.000 0.473 642 N N 2.059 120.449 118.700 -0.516 0.000 2.688 642 N HA -0.199 4.555 4.740 0.024 0.000 0.258 642 N C -0.117 175.208 175.510 -0.308 0.000 1.016 642 N CA -0.226 52.420 53.050 -0.674 0.000 0.747 642 N CB -0.364 37.283 38.487 -1.400 0.000 0.895 642 N HN 0.337 nan 8.380 nan 0.000 0.543 643 I N 0.285 120.747 120.570 -0.180 0.000 2.533 643 I HA 0.246 4.430 4.170 0.024 0.000 0.284 643 I C 1.381 177.517 176.117 0.031 0.000 1.109 643 I CA 0.532 61.801 61.300 -0.051 0.000 1.412 643 I CB 1.086 39.098 38.000 0.020 0.000 1.396 643 I HN 0.477 nan 8.210 nan 0.000 0.543 644 G N 3.454 112.257 108.800 0.004 0.000 4.024 644 G HA2 0.341 4.316 3.960 0.024 0.000 0.237 644 G HA3 0.341 4.316 3.960 0.024 0.000 0.237 644 G C 0.061 174.937 174.900 -0.039 0.000 3.869 644 G CA 0.042 45.117 45.100 -0.042 0.000 0.560 644 G HN 0.970 nan 8.290 nan 0.000 0.230 645 N N -2.532 116.154 118.700 -0.023 0.000 2.984 645 N HA 0.144 4.898 4.740 0.024 0.000 0.199 645 N C 1.476 176.978 175.510 -0.014 0.000 0.934 645 N CA 1.563 54.602 53.050 -0.018 0.000 1.043 645 N CB -1.834 nan 38.487 nan 0.000 1.015 645 N HN 2.098 nan 8.380 nan 0.000 0.557 646 M N 0.630 120.216 119.600 -0.023 0.000 3.663 646 M HA 0.901 5.395 4.480 0.024 0.000 0.198 646 M C 1.194 177.485 176.300 -0.015 0.000 1.365 646 M CA 0.380 55.654 55.300 -0.043 0.000 1.595 646 M CB -1.626 nan 32.600 nan 0.000 1.120 646 M HN 2.041 nan 8.290 nan 0.000 0.522 647 L N -0.483 120.741 121.223 0.002 0.000 2.426 647 L HA 0.814 5.169 4.340 0.024 0.000 0.271 647 L C 0.113 177.004 176.870 0.035 0.000 1.169 647 L CA -0.158 54.692 54.840 0.017 0.000 0.836 647 L CB -1.512 40.549 42.059 0.003 0.000 1.112 647 L HN 1.361 nan 8.230 nan 0.000 0.465 648 Y N 0.861 121.192 120.300 0.052 0.000 2.659 648 Y HA 0.892 5.456 4.550 0.024 0.000 0.333 648 Y C 0.495 176.439 175.900 0.072 0.000 1.064 648 Y CA -0.710 57.434 58.100 0.072 0.000 1.141 648 Y CB 0.314 nan 38.460 nan 0.000 1.316 648 Y HN 1.372 nan 8.280 nan 0.000 0.509 649 K N -0.059 120.391 120.400 0.084 0.000 2.583 649 K HA 0.517 4.852 4.320 0.024 0.000 0.266 649 K C 0.474 177.143 176.600 0.115 0.000 1.037 649 K CA 0.147 56.496 56.287 0.104 0.000 0.996 649 K CB -1.108 nan 32.500 nan 0.000 1.307 649 K HN 1.898 nan 8.250 nan 0.000 0.502 650 D N 1.621 122.103 120.400 0.137 0.000 2.597 650 D HA 0.185 4.839 4.640 0.024 0.000 0.228 650 D C 0.180 176.577 176.300 0.161 0.000 1.120 650 D CA 0.309 54.403 54.000 0.157 0.000 1.083 650 D CB -0.678 nan 40.800 nan 0.000 1.116 650 D HN 0.530 nan 8.370 nan 0.000 0.487 651 D N -0.127 120.363 120.400 0.150 0.000 2.643 651 D HA -0.000 4.654 4.640 0.024 0.000 0.244 651 D C 1.186 177.572 176.300 0.145 0.000 1.257 651 D CA -0.766 53.315 54.000 0.135 0.000 0.831 651 D CB -0.694 40.164 40.800 0.097 0.000 1.043 651 D HN 0.403 nan 8.370 nan 0.000 0.488 652 F N 1.381 121.348 119.950 0.028 0.000 2.079 652 F HA -0.400 4.142 4.527 0.024 0.000 0.296 652 F C 1.595 177.411 175.800 0.028 0.000 1.084 652 F CA 2.038 60.046 58.000 0.013 0.000 1.236 652 F CB -0.482 38.508 39.000 -0.018 0.000 0.984 652 F HN -0.031 nan 8.300 nan 0.000 0.488 653 V N 1.004 120.857 119.914 -0.102 0.000 2.250 653 V HA -0.372 3.762 4.120 0.024 0.000 0.250 653 V C 2.813 178.821 176.094 -0.143 0.000 1.060 653 V CA 2.248 64.442 62.300 -0.178 0.000 1.030 653 V CB -1.801 30.028 31.823 0.011 0.000 0.643 653 V HN 0.660 nan 8.190 nan 0.000 0.445 654 G N -0.578 108.202 108.800 -0.033 0.000 2.514 654 G HA2 -0.288 3.686 3.960 0.024 0.000 0.217 654 G HA3 -0.288 3.686 3.960 0.024 0.000 0.217 654 G C 1.772 176.691 174.900 0.032 0.000 1.198 654 G CA 1.326 46.442 45.100 0.027 0.000 0.780 654 G HN 0.688 nan 8.290 nan 0.000 0.565 655 A N 0.140 122.946 122.820 -0.023 0.000 1.978 655 A HA 0.034 4.368 4.320 0.024 0.000 0.220 655 A C 2.397 179.948 177.584 -0.056 0.000 1.170 655 A CA 1.749 53.765 52.037 -0.035 0.000 0.636 655 A CB -0.356 18.604 19.000 -0.066 0.000 0.810 655 A HN 0.520 nan 8.150 nan 0.000 0.448 656 L N -0.683 120.408 121.223 -0.220 0.000 2.109 656 L HA 0.003 4.358 4.340 0.024 0.000 0.207 656 L C 2.167 179.015 176.870 -0.036 0.000 1.086 656 L CA 1.333 56.044 54.840 -0.215 0.000 0.760 656 L CB -0.201 41.565 42.059 -0.489 0.000 0.910 656 L HN 0.402 nan 8.230 nan 0.000 0.437 657 I N -1.217 119.348 120.570 -0.007 0.000 2.202 657 I HA -0.290 3.894 4.170 0.024 0.000 0.242 657 I C 2.278 178.447 176.117 0.088 0.000 1.091 657 I CA 1.584 62.907 61.300 0.038 0.000 1.368 657 I CB -0.419 37.600 38.000 0.031 0.000 1.058 657 I HN 0.256 nan 8.210 nan 0.000 0.410 658 F N 1.062 120.995 119.950 -0.029 0.000 2.043 658 F HA -0.318 4.222 4.527 0.023 0.000 0.297 658 F C 2.535 178.329 175.800 -0.011 0.000 1.121 658 F CA 2.096 60.084 58.000 -0.019 0.000 1.199 658 F CB 0.064 39.049 39.000 -0.025 0.000 0.968 658 F HN -0.075 nan 8.300 nan 0.000 0.478 659 S N -0.729 115.224 115.700 0.422 0.000 2.497 659 S HA 0.400 4.884 4.470 0.024 0.000 0.221 659 S C 0.391 175.098 174.600 0.178 0.000 1.037 659 S CA 0.434 58.821 58.200 0.311 0.000 0.920 659 S CB 0.380 63.672 63.200 0.154 0.000 0.800 659 S HN 0.849 nan 8.310 nan 0.000 0.505 660 G N 0.669 109.549 108.800 0.132 0.000 2.362 660 G HA2 0.142 4.116 3.960 0.024 0.000 0.517 660 G HA3 0.142 4.116 3.960 0.024 0.000 0.517 660 G C 0.456 175.415 174.900 0.098 0.000 1.256 660 G CA -0.264 44.908 45.100 0.120 0.000 1.027 660 G HN 0.417 nan 8.290 nan 0.000 0.491 661 A N -0.903 121.989 122.820 0.120 0.000 2.119 661 A HA 0.343 4.677 4.320 0.024 0.000 0.217 661 A C 2.552 180.154 177.584 0.031 0.000 1.153 661 A CA 2.452 54.528 52.037 0.065 0.000 0.692 661 A CB -0.412 18.618 19.000 0.050 0.000 0.799 661 A HN 2.052 nan 8.150 nan 0.000 0.458 662 V N 1.206 121.183 119.914 0.105 0.000 2.909 662 V HA -0.264 3.871 4.120 0.024 0.000 0.265 662 V C 2.062 178.138 176.094 -0.031 0.000 1.128 662 V CA 2.121 64.447 62.300 0.044 0.000 1.149 662 V CB -0.805 31.128 31.823 0.183 0.000 0.725 662 V HN 0.693 nan 8.190 nan 0.000 0.511 663 I N -3.146 117.423 120.570 -0.002 0.000 2.617 663 I HA -0.091 4.093 4.170 0.024 0.000 0.256 663 I C 2.092 178.195 176.117 -0.023 0.000 1.167 663 I CA 1.312 62.607 61.300 -0.009 0.000 1.469 663 I CB -0.487 37.522 38.000 0.015 0.000 1.098 663 I HN 0.226 nan 8.210 nan 0.000 0.436 664 L N 1.304 122.511 121.223 -0.027 0.000 2.023 664 L HA 0.054 4.408 4.340 0.024 0.000 0.205 664 L C 1.259 178.014 176.870 -0.192 0.000 1.073 664 L CA 0.517 55.331 54.840 -0.044 0.000 0.745 664 L CB -0.612 41.444 42.059 -0.004 0.000 0.900 664 L HN 0.156 nan 8.230 nan 0.000 0.435 665 L N 1.094 122.133 121.223 -0.308 0.000 2.628 665 L HA -0.165 4.189 4.340 0.024 0.000 0.292 665 L C 1.433 177.969 176.870 -0.556 0.000 1.250 665 L CA 0.065 54.591 54.840 -0.523 0.000 0.892 665 L CB 0.143 41.844 42.059 -0.596 0.000 1.138 665 L HN 0.178 nan 8.230 nan 0.000 0.502 666 E N 2.523 122.208 120.200 -0.858 0.000 2.190 666 E HA 0.025 4.389 4.350 0.024 0.000 0.191 666 E C -0.277 175.921 176.600 -0.670 0.000 0.978 666 E CA 0.543 56.428 56.400 -0.858 0.000 0.839 666 E CB 0.310 29.170 29.700 -1.400 0.000 0.787 666 E HN 0.448 nan 8.360 nan 0.000 0.473 667 F N -1.093 118.504 119.950 -0.588 0.000 2.577 667 F HA 0.604 5.145 4.527 0.023 0.000 0.318 667 F C -0.686 174.986 175.800 -0.214 0.000 1.065 667 F CA -1.594 56.223 58.000 -0.305 0.000 0.929 667 F CB 0.985 39.868 39.000 -0.195 0.000 1.237 667 F HN -0.344 nan 8.300 nan 0.000 0.468 668 I N 3.653 124.232 120.570 0.015 0.000 2.330 668 I HA 0.348 4.533 4.170 0.024 0.000 0.289 668 I C -2.114 174.068 176.117 0.110 0.000 1.001 668 I CA -1.967 59.322 61.300 -0.019 0.000 1.193 668 I CB 1.139 39.148 38.000 0.016 0.000 1.345 668 I HN 0.451 nan 8.210 nan 0.000 0.461 669 P HA 0.079 nan 4.420 nan 0.000 0.272 669 P C -0.766 176.585 177.300 0.084 0.000 1.223 669 P CA -0.295 62.899 63.100 0.157 0.000 0.784 669 P CB 0.693 32.479 31.700 0.144 0.000 0.923 670 E N 1.628 121.857 120.200 0.049 0.000 2.227 670 E HA 0.393 4.758 4.350 0.024 0.000 0.282 670 E C -0.828 175.743 176.600 -0.049 0.000 1.015 670 E CA -0.927 55.463 56.400 -0.017 0.000 0.823 670 E CB 0.295 29.983 29.700 -0.020 0.000 1.081 670 E HN 0.221 nan 8.360 nan 0.000 0.396 671 I N 2.548 123.039 120.570 -0.131 0.000 2.306 671 I HA 0.402 4.587 4.170 0.024 0.000 0.288 671 I C -0.233 175.790 176.117 -0.156 0.000 1.036 671 I CA -0.691 60.523 61.300 -0.145 0.000 1.221 671 I CB 1.508 39.385 38.000 -0.204 0.000 1.385 671 I HN 0.594 nan 8.210 nan 0.000 0.472 672 A N 7.783 130.579 122.820 -0.040 0.000 2.938 672 A HA 0.673 5.007 4.320 0.024 0.000 0.344 672 A C -0.306 177.284 177.584 0.009 0.000 1.142 672 A CA -0.447 51.575 52.037 -0.025 0.000 0.841 672 A CB -0.090 18.912 19.000 0.003 0.000 1.083 672 A HN 0.518 nan 8.150 nan 0.000 0.479 673 I N 2.749 123.302 120.570 -0.029 0.000 2.342 673 I HA 0.364 4.549 4.170 0.024 0.000 0.291 673 I C -2.020 174.042 176.117 -0.092 0.000 1.010 673 I CA -2.218 59.036 61.300 -0.076 0.000 1.308 673 I CB 0.618 38.557 38.000 -0.100 0.000 1.400 673 I HN 0.343 nan 8.210 nan 0.000 0.488 674 P HA 0.273 nan 4.420 nan 0.000 0.280 674 P C -0.501 176.734 177.300 -0.107 0.000 1.272 674 P CA -0.535 62.507 63.100 -0.097 0.000 0.819 674 P CB 1.171 32.811 31.700 -0.100 0.000 1.122 675 V N 1.792 121.659 119.914 -0.078 0.000 2.493 675 V HA -0.067 4.068 4.120 0.024 0.000 0.292 675 V C 1.114 177.158 176.094 -0.083 0.000 1.016 675 V CA 0.203 62.462 62.300 -0.069 0.000 1.097 675 V CB -0.867 30.933 31.823 -0.038 0.000 0.947 675 V HN 0.324 nan 8.190 nan 0.000 0.479 676 L N 4.517 125.675 121.223 -0.108 0.000 2.485 676 L HA 0.236 4.590 4.340 0.024 0.000 0.275 676 L C 1.287 178.135 176.870 -0.038 0.000 1.207 676 L CA 0.299 55.049 54.840 -0.149 0.000 0.855 676 L CB 0.197 42.088 42.059 -0.280 0.000 1.114 676 L HN 0.795 nan 8.230 nan 0.000 0.485 677 G N 1.527 110.292 108.800 -0.057 0.000 2.361 677 G HA2 0.301 4.276 3.960 0.024 0.000 0.260 677 G HA3 0.301 4.276 3.960 0.024 0.000 0.260 677 G C 0.371 175.362 174.900 0.151 0.000 1.261 677 G CA -0.364 44.755 45.100 0.032 0.000 0.897 677 G HN 0.682 nan 8.290 nan 0.000 0.499 678 T N 0.071 114.723 114.554 0.163 0.000 2.813 678 T HA 0.489 4.853 4.350 0.024 0.000 0.297 678 T C 0.008 174.871 174.700 0.272 0.000 1.036 678 T CA -0.451 61.744 62.100 0.158 0.000 1.044 678 T CB 0.733 69.628 68.868 0.045 0.000 0.993 678 T HN 0.135 nan 8.240 nan 0.000 0.535 679 F N 0.511 120.517 119.950 0.093 0.000 2.380 679 F HA 0.689 5.234 4.527 0.030 0.000 0.321 679 F C 0.705 176.493 175.800 -0.020 0.000 1.103 679 F CA -1.815 56.213 58.000 0.048 0.000 1.067 679 F CB 1.013 40.024 39.000 0.018 0.000 1.265 679 F HN 0.983 nan 8.300 nan 0.000 0.517 680 A N 2.665 125.595 122.820 0.183 0.000 2.459 680 A HA 0.732 5.067 4.320 0.024 0.000 0.296 680 A C -1.446 176.116 177.584 -0.037 0.000 1.039 680 A CA -0.664 51.403 52.037 0.050 0.000 0.698 680 A CB 0.964 19.990 19.000 0.044 0.000 1.261 680 A HN 0.652 nan 8.150 nan 0.000 0.405 681 L N 1.748 122.899 121.223 -0.121 0.000 2.334 681 L HA 0.661 5.015 4.340 0.024 0.000 0.275 681 L C -0.232 176.566 176.870 -0.120 0.000 1.036 681 L CA -1.272 53.431 54.840 -0.230 0.000 0.807 681 L CB 1.564 43.257 42.059 -0.611 0.000 1.231 681 L HN 0.364 nan 8.230 nan 0.000 0.438 682 V N 1.270 121.154 119.914 -0.049 0.000 2.455 682 V HA 0.120 4.254 4.120 0.024 0.000 0.273 682 V C 0.521 176.686 176.094 0.118 0.000 1.045 682 V CA -0.042 62.238 62.300 -0.035 0.000 0.976 682 V CB 1.090 32.835 31.823 -0.130 0.000 0.993 682 V HN 0.788 nan 8.190 nan 0.000 0.475 683 S N 4.320 120.098 115.700 0.129 0.000 2.523 683 S HA 0.482 4.966 4.470 0.024 0.000 0.275 683 S C -0.685 173.894 174.600 -0.035 0.000 1.281 683 S CA -0.179 58.161 58.200 0.233 0.000 1.050 683 S CB 0.149 63.451 63.200 0.170 0.000 0.937 683 S HN 0.560 nan 8.310 nan 0.000 0.492 684 Y N 3.118 123.470 120.300 0.086 0.000 2.919 684 Y HA 0.387 4.951 4.550 0.023 0.000 0.341 684 Y C 0.168 176.070 175.900 0.003 0.000 1.045 684 Y CA -0.799 57.327 58.100 0.043 0.000 1.218 684 Y CB -0.252 38.238 38.460 0.049 0.000 1.137 684 Y HN 0.494 nan 8.280 nan 0.000 0.577 685 I N 1.989 122.608 120.570 0.082 0.000 2.872 685 I HA 0.020 4.204 4.170 0.024 0.000 0.291 685 I C 1.287 177.429 176.117 0.042 0.000 1.216 685 I CA 0.930 62.250 61.300 0.035 0.000 1.424 685 I CB 0.391 38.396 38.000 0.009 0.000 1.351 685 I HN 0.788 nan 8.210 nan 0.000 0.592 686 A N 3.585 126.413 122.820 0.014 0.000 2.945 686 A HA -0.258 4.076 4.320 0.024 0.000 0.263 686 A C 0.539 178.133 177.584 0.017 0.000 1.293 686 A CA 1.102 53.144 52.037 0.009 0.000 0.944 686 A CB -2.115 16.890 19.000 0.010 0.000 1.093 686 A HN 0.785 nan 8.150 nan 0.000 0.786 687 N N -0.765 117.955 118.700 0.032 0.000 2.442 687 N HA 0.365 5.120 4.740 0.024 0.000 0.274 687 N C 0.651 176.165 175.510 0.007 0.000 1.002 687 N CA -0.081 52.985 53.050 0.027 0.000 0.910 687 N CB 1.406 39.924 38.487 0.052 0.000 1.244 687 N HN 0.451 nan 8.380 nan 0.000 0.492 688 K N 1.946 122.341 120.400 -0.009 0.000 1.967 688 K HA -0.063 4.271 4.320 0.024 0.000 0.212 688 K C 1.565 178.153 176.600 -0.020 0.000 1.044 688 K CA 1.496 57.774 56.287 -0.015 0.000 0.942 688 K CB 0.011 32.502 32.500 -0.014 0.000 0.726 688 K HN 0.355 nan 8.250 nan 0.000 0.440 689 V N 1.451 121.347 119.914 -0.030 0.000 2.287 689 V HA -0.252 3.882 4.120 0.024 0.000 0.248 689 V C 2.245 178.291 176.094 -0.080 0.000 1.053 689 V CA 1.651 63.924 62.300 -0.043 0.000 1.027 689 V CB -0.574 31.223 31.823 -0.044 0.000 0.646 689 V HN 0.254 nan 8.190 nan 0.000 0.447 690 L N -0.163 120.975 121.223 -0.141 0.000 2.465 690 L HA -0.058 4.296 4.340 0.024 0.000 0.224 690 L C 2.395 179.146 176.870 -0.198 0.000 1.145 690 L CA 1.560 56.209 54.840 -0.318 0.000 0.834 690 L CB -0.867 40.810 42.059 -0.637 0.000 0.944 690 L HN 0.294 nan 8.230 nan 0.000 0.451 691 T N -1.410 113.133 114.554 -0.018 0.000 2.976 691 T HA -0.068 4.297 4.350 0.024 0.000 0.257 691 T C 1.905 176.688 174.700 0.139 0.000 1.051 691 T CA 1.322 63.490 62.100 0.112 0.000 1.141 691 T CB 0.068 68.947 68.868 0.018 0.000 0.881 691 T HN 0.291 nan 8.240 nan 0.000 0.461 692 V N 0.217 120.165 119.914 0.058 0.000 2.488 692 V HA -0.011 4.124 4.120 0.024 0.000 0.246 692 V C 2.226 178.351 176.094 0.053 0.000 1.046 692 V CA 1.362 63.700 62.300 0.064 0.000 1.053 692 V CB -0.786 31.054 31.823 0.029 0.000 0.679 692 V HN 0.339 nan 8.190 nan 0.000 0.458 693 Q N 0.163 119.968 119.800 0.009 0.000 2.226 693 Q HA -0.154 4.200 4.340 0.024 0.000 0.204 693 Q C 2.204 178.208 176.000 0.007 0.000 0.975 693 Q CA 2.084 57.880 55.803 -0.011 0.000 0.866 693 Q CB -0.120 28.580 28.738 -0.063 0.000 0.915 693 Q HN 0.741 nan 8.270 nan 0.000 0.440 694 T N 0.467 115.050 114.554 0.048 0.000 2.942 694 T HA 0.007 4.371 4.350 0.024 0.000 0.265 694 T C 1.697 176.432 174.700 0.058 0.000 1.062 694 T CA 0.602 62.748 62.100 0.076 0.000 1.139 694 T CB 0.029 69.025 68.868 0.213 0.000 0.883 694 T HN 0.231 nan 8.240 nan 0.000 0.468 695 I N 1.316 121.968 120.570 0.136 0.000 2.133 695 I HA -0.156 4.028 4.170 0.024 0.000 0.238 695 I C 2.327 178.488 176.117 0.074 0.000 1.074 695 I CA 1.196 62.569 61.300 0.121 0.000 1.342 695 I CB -0.324 37.785 38.000 0.182 0.000 1.053 695 I HN 0.113 nan 8.210 nan 0.000 0.404 696 D N 0.923 121.362 120.400 0.064 0.000 2.123 696 D HA -0.170 4.484 4.640 0.024 0.000 0.196 696 D C 1.874 178.199 176.300 0.042 0.000 0.992 696 D CA 1.260 55.291 54.000 0.051 0.000 0.833 696 D CB -0.556 40.267 40.800 0.038 0.000 0.954 696 D HN 0.259 nan 8.370 nan 0.000 0.455 697 N N 0.603 119.315 118.700 0.020 0.000 2.223 697 N HA -0.100 4.655 4.740 0.024 0.000 0.185 697 N C 1.624 177.124 175.510 -0.018 0.000 1.016 697 N CA 1.188 54.236 53.050 -0.003 0.000 0.863 697 N CB -0.299 38.171 38.487 -0.029 0.000 0.983 697 N HN 0.152 nan 8.380 nan 0.000 0.429 698 A N 0.781 123.594 122.820 -0.012 0.000 1.841 698 A HA -0.037 4.297 4.320 0.024 0.000 0.214 698 A C 2.320 180.009 177.584 0.174 0.000 1.195 698 A CA 0.906 52.948 52.037 0.009 0.000 0.611 698 A CB -0.903 18.111 19.000 0.023 0.000 0.835 698 A HN 0.215 nan 8.150 nan 0.000 0.443 699 L N -0.075 121.233 121.223 0.142 0.000 2.012 699 L HA -0.223 4.131 4.340 0.024 0.000 0.210 699 L C 2.947 179.920 176.870 0.172 0.000 1.073 699 L CA 1.738 56.674 54.840 0.159 0.000 0.748 699 L CB -0.409 41.712 42.059 0.104 0.000 0.891 699 L HN 0.388 nan 8.230 nan 0.000 0.431 700 S N -0.620 115.156 115.700 0.127 0.000 2.368 700 S HA -0.168 4.317 4.470 0.024 0.000 0.225 700 S C 1.928 176.631 174.600 0.171 0.000 1.030 700 S CA 1.030 59.302 58.200 0.121 0.000 0.999 700 S CB -0.175 63.073 63.200 0.080 0.000 0.844 700 S HN 0.278 nan 8.310 nan 0.000 0.459 701 K N 1.396 121.906 120.400 0.184 0.000 2.103 701 K HA -0.081 4.253 4.320 0.024 0.000 0.207 701 K C 2.237 179.122 176.600 0.474 0.000 1.048 701 K CA 0.910 57.346 56.287 0.248 0.000 0.930 701 K CB -0.426 32.107 32.500 0.056 0.000 0.716 701 K HN 0.384 nan 8.250 nan 0.000 0.444 702 R N 1.335 122.185 120.500 0.584 0.000 2.094 702 R HA -0.187 4.167 4.340 0.024 0.000 0.239 702 R C 1.677 178.208 176.300 0.386 0.000 1.137 702 R CA 2.014 58.438 56.100 0.539 0.000 0.943 702 R CB -0.250 30.328 30.300 0.463 0.000 0.850 702 R HN 0.123 nan 8.270 nan 0.000 0.433 703 N N 0.933 119.789 118.700 0.261 0.000 2.094 703 N HA -0.195 4.559 4.740 0.024 0.000 0.191 703 N C 1.550 177.206 175.510 0.243 0.000 1.023 703 N CA 1.833 54.999 53.050 0.194 0.000 0.857 703 N CB -0.362 38.197 38.487 0.122 0.000 1.013 703 N HN 0.447 nan 8.380 nan 0.000 0.426 704 E N 0.168 120.501 120.200 0.222 0.000 2.130 704 E HA -0.231 4.134 4.350 0.024 0.000 0.196 704 E C 1.741 178.452 176.600 0.185 0.000 0.998 704 E CA 1.102 57.621 56.400 0.197 0.000 0.806 704 E CB -0.027 29.773 29.700 0.167 0.000 0.738 704 E HN 0.197 nan 8.360 nan 0.000 0.459 705 K N 0.256 120.762 120.400 0.176 0.000 2.026 705 K HA -0.168 4.166 4.320 0.024 0.000 0.208 705 K C 1.519 178.119 176.600 -0.001 0.000 1.048 705 K CA 1.363 57.642 56.287 -0.014 0.000 0.929 705 K CB -0.332 32.021 32.500 -0.245 0.000 0.713 705 K HN 0.137 nan 8.250 nan 0.000 0.439 706 W N 1.205 122.451 121.300 -0.090 0.000 2.358 706 W HA -0.089 4.586 4.660 0.025 0.000 0.303 706 W C 1.947 178.458 176.519 -0.013 0.000 1.208 706 W CA 1.398 58.645 57.345 -0.164 0.000 1.274 706 W CB -0.930 28.502 29.460 -0.047 0.000 1.138 706 W HN 0.230 nan 8.180 nan 0.000 0.515 707 D N -0.095 120.558 120.400 0.421 0.000 2.106 707 D HA -0.238 4.416 4.640 0.024 0.000 0.191 707 D C 1.947 178.391 176.300 0.241 0.000 0.997 707 D CA 1.948 56.218 54.000 0.449 0.000 0.834 707 D CB -0.296 40.738 40.800 0.390 0.000 0.956 707 D HN 0.192 nan 8.370 nan 0.000 0.448 708 E N -0.531 119.746 120.200 0.127 0.000 2.049 708 E HA -0.201 4.164 4.350 0.024 0.000 0.198 708 E C 2.113 178.700 176.600 -0.021 0.000 1.007 708 E CA 1.273 57.699 56.400 0.044 0.000 0.809 708 E CB 0.009 29.696 29.700 -0.022 0.000 0.749 708 E HN 0.109 nan 8.360 nan 0.000 0.450 709 V N 0.231 120.059 119.914 -0.143 0.000 2.307 709 V HA -0.237 3.897 4.120 0.024 0.000 0.245 709 V C 1.939 177.961 176.094 -0.121 0.000 1.045 709 V CA 1.716 63.883 62.300 -0.222 0.000 1.024 709 V CB -0.653 30.900 31.823 -0.450 0.000 0.651 709 V HN 0.318 nan 8.190 nan 0.000 0.449 710 Y N 0.888 121.114 120.300 -0.124 0.000 2.006 710 Y HA -0.312 4.255 4.550 0.028 0.000 0.266 710 Y C 2.567 178.255 175.900 -0.354 0.000 1.133 710 Y CA 1.882 59.848 58.100 -0.224 0.000 1.098 710 Y CB -1.079 37.316 38.460 -0.108 0.000 0.969 710 Y HN 0.134 nan 8.280 nan 0.000 0.482 711 K N -0.808 119.385 120.400 -0.344 0.000 2.090 711 K HA -0.382 3.952 4.320 0.024 0.000 0.218 711 K C 2.176 178.769 176.600 -0.011 0.000 1.055 711 K CA 2.403 58.524 56.287 -0.276 0.000 0.941 711 K CB -0.918 31.594 32.500 0.020 0.000 0.722 711 K HN 0.388 nan 8.250 nan 0.000 0.458 712 Y N 1.403 121.662 120.300 -0.067 0.000 2.151 712 Y HA -0.250 4.315 4.550 0.025 0.000 0.284 712 Y C 1.895 177.755 175.900 -0.066 0.000 1.166 712 Y CA 2.014 60.089 58.100 -0.041 0.000 1.163 712 Y CB -0.149 38.275 38.460 -0.061 0.000 0.974 712 Y HN 0.117 nan 8.280 nan 0.000 0.511 713 I N -1.522 119.040 120.570 -0.013 0.000 2.163 713 I HA -0.300 3.884 4.170 0.024 0.000 0.240 713 I C 2.314 178.405 176.117 -0.044 0.000 1.081 713 I CA 1.309 62.555 61.300 -0.090 0.000 1.353 713 I CB -0.944 37.014 38.000 -0.071 0.000 1.054 713 I HN 0.064 nan 8.210 nan 0.000 0.407 714 V N 0.998 120.928 119.914 0.025 0.000 2.278 714 V HA -0.366 3.768 4.120 0.024 0.000 0.251 714 V C 2.589 178.793 176.094 0.185 0.000 1.062 714 V CA 2.730 65.165 62.300 0.226 0.000 1.038 714 V CB -0.967 31.003 31.823 0.245 0.000 0.646 714 V HN 0.499 nan 8.190 nan 0.000 0.447 715 T N -0.308 114.265 114.554 0.031 0.000 2.652 715 T HA -0.202 4.162 4.350 0.024 0.000 0.267 715 T C 1.858 176.404 174.700 -0.256 0.000 1.039 715 T CA 1.728 63.810 62.100 -0.030 0.000 1.153 715 T CB -0.441 68.425 68.868 -0.004 0.000 0.863 715 T HN 0.480 nan 8.240 nan 0.000 0.428 716 N N -0.327 118.069 118.700 -0.507 0.000 2.104 716 N HA -0.148 4.607 4.740 0.024 0.000 0.190 716 N C 1.715 177.059 175.510 -0.278 0.000 1.024 716 N CA 1.468 54.097 53.050 -0.701 0.000 0.853 716 N CB -0.231 37.818 38.487 -0.730 0.000 1.008 716 N HN 0.502 nan 8.380 nan 0.000 0.424 717 W N 2.288 123.445 121.300 -0.238 0.000 2.354 717 W HA -0.030 4.644 4.660 0.025 0.000 0.315 717 W C 2.043 178.527 176.519 -0.057 0.000 1.206 717 W CA 0.848 58.136 57.345 -0.095 0.000 1.290 717 W CB -0.753 28.686 29.460 -0.035 0.000 1.152 717 W HN -0.052 nan 8.180 nan 0.000 0.489 718 L N 0.717 121.795 121.223 -0.241 0.000 2.042 718 L HA -0.225 4.130 4.340 0.024 0.000 0.210 718 L C 2.658 179.314 176.870 -0.357 0.000 1.076 718 L CA 1.770 56.373 54.840 -0.395 0.000 0.749 718 L CB -1.263 40.784 42.059 -0.021 0.000 0.893 718 L HN 0.153 nan 8.230 nan 0.000 0.432 719 A N -0.421 122.103 122.820 -0.493 0.000 1.935 719 A HA -0.077 4.257 4.320 0.024 0.000 0.214 719 A C 2.158 179.658 177.584 -0.140 0.000 1.178 719 A CA 0.952 52.548 52.037 -0.734 0.000 0.640 719 A CB -0.036 18.435 19.000 -0.882 0.000 0.825 719 A HN 0.331 nan 8.150 nan 0.000 0.447 720 K N -0.975 119.384 120.400 -0.069 0.000 2.354 720 K HA 0.272 4.607 4.320 0.024 0.000 0.194 720 K C 1.026 177.630 176.600 0.007 0.000 1.038 720 K CA 0.581 56.951 56.287 0.138 0.000 1.052 720 K CB 0.701 33.314 32.500 0.188 0.000 0.861 720 K HN 0.298 nan 8.250 nan 0.000 0.535 721 V N 0.584 120.417 119.914 -0.135 0.000 3.001 721 V HA -0.058 4.077 4.120 0.024 0.000 0.228 721 V C 1.699 177.641 176.094 -0.253 0.000 1.204 721 V CA 0.695 62.870 62.300 -0.208 0.000 1.247 721 V CB -0.396 31.436 31.823 0.014 0.000 1.093 721 V HN 0.140 nan 8.190 nan 0.000 0.504 722 N N 1.214 119.649 118.700 -0.442 0.000 2.137 722 N HA -0.217 4.538 4.740 0.024 0.000 0.190 722 N C 1.898 177.296 175.510 -0.187 0.000 1.017 722 N CA 2.347 55.153 53.050 -0.407 0.000 0.859 722 N CB -0.236 37.811 38.487 -0.734 0.000 1.002 722 N HN 0.673 nan 8.380 nan 0.000 0.428 723 T N -1.871 112.621 114.554 -0.103 0.000 2.652 723 T HA -0.215 4.149 4.350 0.024 0.000 0.267 723 T C 1.782 176.523 174.700 0.069 0.000 1.039 723 T CA 1.489 63.599 62.100 0.017 0.000 1.153 723 T CB -0.628 68.323 68.868 0.139 0.000 0.863 723 T HN 0.323 nan 8.240 nan 0.000 0.428 724 Q N 0.257 120.094 119.800 0.061 0.000 2.096 724 Q HA -0.045 4.309 4.340 0.024 0.000 0.204 724 Q C 2.474 178.526 176.000 0.085 0.000 0.982 724 Q CA 1.437 57.314 55.803 0.123 0.000 0.850 724 Q CB -0.323 28.246 28.738 -0.281 0.000 0.901 724 Q HN 0.464 nan 8.270 nan 0.000 0.422 725 I N 1.372 121.920 120.570 -0.037 0.000 2.286 725 I HA -0.225 3.959 4.170 0.024 0.000 0.248 725 I C 1.511 177.620 176.117 -0.014 0.000 1.115 725 I CA 1.373 62.655 61.300 -0.030 0.000 1.392 725 I CB -1.063 36.903 38.000 -0.055 0.000 1.065 725 I HN 0.161 nan 8.210 nan 0.000 0.418 726 D N 0.273 120.651 120.400 -0.036 0.000 2.219 726 D HA -0.128 4.526 4.640 0.024 0.000 0.205 726 D C 2.165 178.437 176.300 -0.047 0.000 0.970 726 D CA 0.695 54.661 54.000 -0.057 0.000 0.851 726 D CB -0.061 40.675 40.800 -0.106 0.000 0.943 726 D HN 0.187 nan 8.370 nan 0.000 0.488 727 L N 0.280 121.490 121.223 -0.022 0.000 2.068 727 L HA 0.030 4.385 4.340 0.024 0.000 0.204 727 L C 2.058 178.906 176.870 -0.037 0.000 1.076 727 L CA 1.030 55.831 54.840 -0.065 0.000 0.753 727 L CB -0.271 41.694 42.059 -0.156 0.000 0.910 727 L HN -0.058 nan 8.230 nan 0.000 0.439 728 I N -0.599 119.989 120.570 0.030 0.000 2.151 728 I HA -0.369 3.815 4.170 0.024 0.000 0.243 728 I C 2.731 178.855 176.117 0.012 0.000 1.080 728 I CA 1.554 62.871 61.300 0.028 0.000 1.339 728 I CB -0.396 37.638 38.000 0.057 0.000 1.039 728 I HN 0.294 nan 8.210 nan 0.000 0.409 729 R N 1.269 121.779 120.500 0.018 0.000 2.112 729 R HA -0.260 4.094 4.340 0.024 0.000 0.242 729 R C 2.297 178.607 176.300 0.016 0.000 1.137 729 R CA 1.989 58.101 56.100 0.020 0.000 0.944 729 R CB -0.174 30.132 30.300 0.010 0.000 0.857 729 R HN 0.324 nan 8.270 nan 0.000 0.435 730 K N 0.148 120.548 120.400 -0.001 0.000 2.103 730 K HA -0.158 4.177 4.320 0.024 0.000 0.207 730 K C 2.138 178.756 176.600 0.030 0.000 1.048 730 K CA 1.621 57.914 56.287 0.009 0.000 0.930 730 K CB -0.058 32.432 32.500 -0.018 0.000 0.716 730 K HN 0.280 nan 8.250 nan 0.000 0.444 731 K N -0.094 120.316 120.400 0.016 0.000 2.155 731 K HA 0.012 4.346 4.320 0.024 0.000 0.203 731 K C 2.089 178.712 176.600 0.038 0.000 1.052 731 K CA 0.711 57.016 56.287 0.031 0.000 0.948 731 K CB 0.001 32.504 32.500 0.005 0.000 0.728 731 K HN 0.058 nan 8.250 nan 0.000 0.448 732 M N 1.374 120.983 119.600 0.014 0.000 2.159 732 M HA -0.133 4.362 4.480 0.024 0.000 0.263 732 M C 2.112 178.454 176.300 0.070 0.000 1.063 732 M CA 1.523 56.825 55.300 0.004 0.000 1.110 732 M CB -0.714 31.866 32.600 -0.033 0.000 1.374 732 M HN -0.062 nan 8.290 nan 0.000 0.411 733 K N 1.189 121.636 120.400 0.078 0.000 2.103 733 K HA -0.213 4.121 4.320 0.024 0.000 0.207 733 K C 1.752 178.430 176.600 0.130 0.000 1.048 733 K CA 2.063 58.414 56.287 0.107 0.000 0.930 733 K CB -0.291 32.265 32.500 0.093 0.000 0.716 733 K HN 0.540 nan 8.250 nan 0.000 0.444 734 E N -0.476 119.795 120.200 0.117 0.000 2.107 734 E HA -0.092 4.273 4.350 0.024 0.000 0.191 734 E C 1.851 178.551 176.600 0.168 0.000 0.982 734 E CA 0.999 57.477 56.400 0.130 0.000 0.809 734 E CB -0.360 29.409 29.700 0.114 0.000 0.756 734 E HN 0.275 nan 8.360 nan 0.000 0.459 735 A N 1.769 124.703 122.820 0.191 0.000 1.851 735 A HA -0.152 4.183 4.320 0.024 0.000 0.216 735 A C 2.321 180.112 177.584 0.346 0.000 1.195 735 A CA 1.632 53.844 52.037 0.291 0.000 0.622 735 A CB -1.024 18.163 19.000 0.312 0.000 0.831 735 A HN 0.339 nan 8.150 nan 0.000 0.444 736 L N -0.680 120.753 121.223 0.350 0.000 2.089 736 L HA -0.291 4.063 4.340 0.024 0.000 0.213 736 L C 2.603 179.671 176.870 0.329 0.000 1.079 736 L CA 1.943 57.006 54.840 0.372 0.000 0.758 736 L CB -0.575 41.661 42.059 0.295 0.000 0.891 736 L HN 0.511 nan 8.230 nan 0.000 0.433 737 E N -0.385 119.957 120.200 0.237 0.000 2.028 737 E HA -0.179 4.185 4.350 0.024 0.000 0.191 737 E C 2.027 178.733 176.600 0.177 0.000 0.988 737 E CA 0.920 57.431 56.400 0.184 0.000 0.799 737 E CB -0.049 29.731 29.700 0.134 0.000 0.755 737 E HN 0.429 nan 8.360 nan 0.000 0.447 738 N N 0.729 119.535 118.700 0.177 0.000 2.060 738 N HA -0.210 4.544 4.740 0.024 0.000 0.195 738 N C 1.830 177.442 175.510 0.169 0.000 1.028 738 N CA 1.169 54.322 53.050 0.171 0.000 0.861 738 N CB -0.238 38.354 38.487 0.174 0.000 1.029 738 N HN 0.187 nan 8.380 nan 0.000 0.428 739 Q N 0.603 120.485 119.800 0.137 0.000 2.050 739 Q HA -0.010 4.344 4.340 0.024 0.000 0.202 739 Q C 2.158 178.260 176.000 0.170 0.000 0.980 739 Q CA 1.337 57.187 55.803 0.079 0.000 0.840 739 Q CB -0.680 28.076 28.738 0.030 0.000 0.898 739 Q HN 0.402 nan 8.270 nan 0.000 0.424 740 A N 1.512 124.446 122.820 0.191 0.000 1.908 740 A HA -0.218 4.116 4.320 0.024 0.000 0.218 740 A C 2.019 179.610 177.584 0.010 0.000 1.181 740 A CA 1.623 53.639 52.037 -0.035 0.000 0.627 740 A CB -0.341 18.651 19.000 -0.013 0.000 0.818 740 A HN 0.275 nan 8.150 nan 0.000 0.445 741 E N -0.177 120.093 120.200 0.116 0.000 2.047 741 E HA -0.109 4.255 4.350 0.024 0.000 0.191 741 E C 2.429 179.194 176.600 0.276 0.000 0.987 741 E CA 1.161 57.679 56.400 0.197 0.000 0.799 741 E CB -0.712 29.121 29.700 0.222 0.000 0.752 741 E HN 0.571 nan 8.360 nan 0.000 0.449 742 A N 1.265 124.244 122.820 0.265 0.000 1.892 742 A HA -0.220 4.115 4.320 0.024 0.000 0.218 742 A C 2.492 180.045 177.584 -0.052 0.000 1.188 742 A CA 2.405 54.442 52.037 -0.000 0.000 0.631 742 A CB -1.108 17.880 19.000 -0.021 0.000 0.822 742 A HN 0.265 nan 8.150 nan 0.000 0.447 743 T N -0.045 114.511 114.554 0.003 0.000 2.595 743 T HA -0.180 4.184 4.350 0.024 0.000 0.264 743 T C 1.954 176.622 174.700 -0.052 0.000 1.058 743 T CA 1.621 63.693 62.100 -0.046 0.000 1.166 743 T CB -0.291 68.532 68.868 -0.074 0.000 0.863 743 T HN 0.496 nan 8.240 nan 0.000 0.415 744 K N 0.921 121.309 120.400 -0.019 0.000 2.052 744 K HA -0.225 4.109 4.320 0.024 0.000 0.215 744 K C 2.640 179.297 176.600 0.094 0.000 1.053 744 K CA 1.532 57.839 56.287 0.034 0.000 0.934 744 K CB -0.572 31.960 32.500 0.053 0.000 0.717 744 K HN 0.336 nan 8.250 nan 0.000 0.450 745 A N 1.524 124.407 122.820 0.106 0.000 1.869 745 A HA -0.232 4.102 4.320 0.024 0.000 0.218 745 A C 2.137 179.802 177.584 0.135 0.000 1.203 745 A CA 2.074 54.177 52.037 0.110 0.000 0.638 745 A CB -0.817 18.158 19.000 -0.041 0.000 0.831 745 A HN 0.307 nan 8.150 nan 0.000 0.450 746 I N -0.692 119.928 120.570 0.083 0.000 2.546 746 I HA -0.168 4.016 4.170 0.024 0.000 0.255 746 I C 2.120 178.399 176.117 0.270 0.000 1.163 746 I CA 0.831 62.239 61.300 0.180 0.000 1.457 746 I CB -0.264 37.799 38.000 0.105 0.000 1.092 746 I HN 0.302 nan 8.210 nan 0.000 0.434 747 I N 0.711 121.373 120.570 0.153 0.000 2.353 747 I HA -0.225 3.959 4.170 0.024 0.000 0.248 747 I C 1.991 178.382 176.117 0.457 0.000 1.119 747 I CA 1.373 62.828 61.300 0.259 0.000 1.417 747 I CB -0.275 37.736 38.000 0.019 0.000 1.078 747 I HN 0.233 nan 8.210 nan 0.000 0.421 748 N N -0.414 118.497 118.700 0.351 0.000 2.333 748 N HA -0.169 4.585 4.740 0.024 0.000 0.178 748 N C 1.719 177.446 175.510 0.361 0.000 1.018 748 N CA 0.470 53.742 53.050 0.369 0.000 0.882 748 N CB -0.133 38.522 38.487 0.282 0.000 0.984 748 N HN 0.245 nan 8.380 nan 0.000 0.434 749 Y N 1.822 122.237 120.300 0.192 0.000 2.053 749 Y HA -0.239 4.325 4.550 0.024 0.000 0.277 749 Y C 2.128 178.120 175.900 0.153 0.000 1.159 749 Y CA 1.761 59.945 58.100 0.140 0.000 1.125 749 Y CB -0.737 37.782 38.460 0.098 0.000 0.969 749 Y HN 0.093 nan 8.280 nan 0.000 0.492 750 Q N -0.746 119.043 119.800 -0.019 0.000 1.985 750 Q HA -0.296 4.058 4.340 0.024 0.000 0.207 750 Q C 2.257 178.251 176.000 -0.011 0.000 0.996 750 Q CA 2.329 58.071 55.803 -0.103 0.000 0.851 750 Q CB -1.405 27.421 28.738 0.147 0.000 0.921 750 Q HN 0.706 nan 8.270 nan 0.000 0.418 751 Y N 1.973 122.282 120.300 0.015 0.000 2.219 751 Y HA -0.257 4.307 4.550 0.024 0.000 0.283 751 Y C 1.715 177.545 175.900 -0.117 0.000 1.191 751 Y CA 1.634 59.625 58.100 -0.182 0.000 1.199 751 Y CB -0.345 38.074 38.460 -0.068 0.000 0.972 751 Y HN 0.239 nan 8.280 nan 0.000 0.527 752 N N -0.328 118.357 118.700 -0.025 0.000 2.515 752 N HA -0.090 4.664 4.740 0.024 0.000 0.185 752 N C 0.770 176.208 175.510 -0.119 0.000 1.109 752 N CA 0.556 53.572 53.050 -0.057 0.000 0.903 752 N CB 0.028 38.576 38.487 0.102 0.000 0.969 752 N HN 0.621 nan 8.380 nan 0.000 0.450 753 Q N -0.841 118.857 119.800 -0.170 0.000 2.280 753 Q HA 0.064 4.418 4.340 0.024 0.000 0.201 753 Q C 0.151 176.046 176.000 -0.175 0.000 0.890 753 Q CA -0.012 55.698 55.803 -0.155 0.000 0.947 753 Q CB 0.425 29.043 28.738 -0.200 0.000 1.081 753 Q HN 0.236 nan 8.270 nan 0.000 0.502 754 Y N -0.540 119.614 120.300 -0.243 0.000 3.211 754 Y HA 0.261 4.826 4.550 0.024 0.000 0.345 754 Y C 2.520 178.284 175.900 -0.225 0.000 1.334 754 Y CA -0.406 57.537 58.100 -0.263 0.000 0.933 754 Y CB -0.478 37.747 38.460 -0.392 0.000 1.250 754 Y HN 0.336 nan 8.280 nan 0.000 0.831 755 T N 0.442 114.856 114.554 -0.233 0.000 2.149 755 T HA -0.238 4.126 4.350 0.024 0.000 0.187 755 T C 0.781 175.407 174.700 -0.123 0.000 1.698 755 T CA 3.541 65.547 62.100 -0.157 0.000 1.017 755 T CB -1.516 nan 68.868 nan 0.000 0.819 755 T HN 1.323 nan 8.240 nan 0.000 0.421 756 E N 0.203 120.329 120.200 -0.123 0.000 3.544 756 E HA 0.640 5.004 4.350 0.024 0.000 0.264 756 E C 0.417 176.957 176.600 -0.099 0.000 1.225 756 E CA 1.115 57.425 56.400 -0.149 0.000 1.045 756 E CB -1.387 nan 29.700 nan 0.000 1.338 756 E HN 2.043 nan 8.360 nan 0.000 0.395 757 E N -1.228 118.932 120.200 -0.068 0.000 3.228 757 E HA 0.046 4.410 4.350 0.024 0.000 0.299 757 E C 0.726 177.290 176.600 -0.060 0.000 1.446 757 E CA 1.908 58.271 56.400 -0.062 0.000 1.835 757 E CB -1.637 nan 29.700 nan 0.000 1.933 757 E HN 2.194 nan 8.360 nan 0.000 0.511 758 E N 0.512 120.673 120.200 -0.065 0.000 3.568 758 E HA 0.707 5.071 4.350 0.024 0.000 0.213 758 E C 0.833 177.400 176.600 -0.054 0.000 1.197 758 E CA 1.058 57.433 56.400 -0.040 0.000 1.126 758 E CB -0.856 nan 29.700 nan 0.000 1.285 758 E HN 2.395 nan 8.360 nan 0.000 0.418 759 K N -1.287 119.056 120.400 -0.095 0.000 3.126 759 K HA -0.230 4.105 4.320 0.024 0.000 0.255 759 K C 1.496 178.097 176.600 0.002 0.000 1.579 759 K CA 1.901 58.123 56.287 -0.108 0.000 0.540 759 K CB -2.332 nan 32.500 nan 0.000 0.812 759 K HN 2.083 nan 8.250 nan 0.000 0.690 760 N N 1.746 120.445 118.700 -0.001 0.000 2.952 760 N HA 0.358 5.112 4.740 0.024 0.000 0.289 760 N C 1.233 176.759 175.510 0.027 0.000 1.407 760 N CA 2.223 55.287 53.050 0.023 0.000 1.061 760 N CB -1.691 nan 38.487 nan 0.000 1.397 760 N HN 1.921 nan 8.380 nan 0.000 0.568 761 N N -0.417 118.309 118.700 0.043 0.000 2.026 761 N HA 0.200 4.955 4.740 0.024 0.000 0.239 761 N C 0.747 176.299 175.510 0.070 0.000 1.283 761 N CA 0.518 53.593 53.050 0.042 0.000 0.816 761 N CB 0.138 nan 38.487 nan 0.000 1.263 761 N HN 0.703 nan 8.380 nan 0.000 0.470 762 I N 0.667 121.301 120.570 0.107 0.000 3.064 762 I HA 0.367 4.551 4.170 0.024 0.000 0.340 762 I C -1.133 175.112 176.117 0.215 0.000 1.405 762 I CA -0.780 60.611 61.300 0.152 0.000 0.912 762 I CB -0.572 37.527 38.000 0.165 0.000 1.993 762 I HN 0.086 nan 8.210 nan 0.000 0.547 763 N N 2.641 121.443 118.700 0.169 0.000 2.030 763 N HA -0.044 4.710 4.740 0.024 0.000 0.292 763 N C -0.808 174.831 175.510 0.214 0.000 1.315 763 N CA 0.566 53.714 53.050 0.163 0.000 0.810 763 N CB -0.007 38.537 38.487 0.096 0.000 1.048 763 N HN 0.636 nan 8.380 nan 0.000 0.492 764 F N 1.534 121.480 119.950 -0.005 0.000 2.915 764 F HA 0.339 4.880 4.527 0.024 0.000 0.350 764 F C -1.543 174.199 175.800 -0.098 0.000 1.248 764 F CA -1.351 56.616 58.000 -0.056 0.000 1.084 764 F CB 0.871 39.824 39.000 -0.079 0.000 1.391 764 F HN 0.551 nan 8.300 nan 0.000 0.548 765 N N 6.709 125.085 118.700 -0.539 0.000 2.414 765 N HA 0.169 4.923 4.740 0.024 0.000 0.256 765 N C 0.887 175.966 175.510 -0.717 0.000 1.029 765 N CA -0.407 52.308 53.050 -0.559 0.000 0.948 765 N CB 1.332 39.676 38.487 -0.237 0.000 1.102 765 N HN 0.804 nan 8.380 nan 0.000 0.496 766 I N -1.407 118.688 120.570 -0.792 0.000 3.010 766 I HA -0.109 4.075 4.170 0.024 0.000 0.271 766 I C 0.963 176.946 176.117 -0.224 0.000 1.293 766 I CA 0.886 61.892 61.300 -0.491 0.000 1.452 766 I CB -0.322 37.500 38.000 -0.296 0.000 1.082 766 I HN 0.298 nan 8.210 nan 0.000 0.484 767 D N 1.402 121.679 120.400 -0.205 0.000 2.144 767 D HA -0.180 4.474 4.640 0.024 0.000 0.200 767 D C 1.625 177.872 176.300 -0.088 0.000 0.978 767 D CA 1.356 55.285 54.000 -0.118 0.000 0.833 767 D CB -0.146 40.592 40.800 -0.102 0.000 0.961 767 D HN 0.475 nan 8.370 nan 0.000 0.470 768 D N 0.515 120.858 120.400 -0.095 0.000 2.117 768 D HA -0.115 4.539 4.640 0.024 0.000 0.197 768 D C 2.233 178.524 176.300 -0.016 0.000 0.987 768 D CA 0.320 54.296 54.000 -0.040 0.000 0.829 768 D CB 0.044 40.836 40.800 -0.013 0.000 0.961 768 D HN 0.125 nan 8.370 nan 0.000 0.460 769 L N 0.951 122.166 121.223 -0.013 0.000 2.027 769 L HA -0.129 4.225 4.340 0.024 0.000 0.206 769 L C 2.310 179.161 176.870 -0.032 0.000 1.074 769 L CA 1.639 56.493 54.840 0.024 0.000 0.745 769 L CB -0.681 41.451 42.059 0.122 0.000 0.898 769 L HN -0.145 nan 8.230 nan 0.000 0.433 770 S N -1.044 114.628 115.700 -0.045 0.000 2.383 770 S HA -0.221 4.263 4.470 0.024 0.000 0.229 770 S C 2.098 176.678 174.600 -0.033 0.000 1.030 770 S CA 1.403 59.577 58.200 -0.044 0.000 1.002 770 S CB -0.618 62.555 63.200 -0.045 0.000 0.829 770 S HN 0.579 nan 8.310 nan 0.000 0.467 771 S N 1.228 116.909 115.700 -0.031 0.000 2.351 771 S HA -0.152 4.332 4.470 0.024 0.000 0.220 771 S C 2.038 176.634 174.600 -0.007 0.000 1.035 771 S CA 1.182 59.370 58.200 -0.019 0.000 1.031 771 S CB -0.233 62.954 63.200 -0.021 0.000 0.928 771 S HN 0.309 nan 8.310 nan 0.000 0.433 772 K N 1.189 121.583 120.400 -0.010 0.000 1.991 772 K HA -0.017 4.317 4.320 0.024 0.000 0.212 772 K C 2.137 178.743 176.600 0.011 0.000 1.049 772 K CA 1.252 57.537 56.287 -0.003 0.000 0.932 772 K CB -1.157 31.335 32.500 -0.012 0.000 0.717 772 K HN 0.420 nan 8.250 nan 0.000 0.441 773 L N 1.631 122.841 121.223 -0.021 0.000 2.191 773 L HA -0.177 4.177 4.340 0.024 0.000 0.212 773 L C 1.890 178.816 176.870 0.094 0.000 1.103 773 L CA 0.846 55.683 54.840 -0.004 0.000 0.769 773 L CB -0.564 41.363 42.059 -0.220 0.000 0.908 773 L HN 0.213 nan 8.230 nan 0.000 0.438 774 N N 0.263 118.998 118.700 0.058 0.000 2.171 774 N HA -0.141 4.613 4.740 0.024 0.000 0.184 774 N C 1.651 177.212 175.510 0.085 0.000 1.021 774 N CA 0.989 54.086 53.050 0.078 0.000 0.854 774 N CB -0.174 38.340 38.487 0.046 0.000 0.994 774 N HN 0.405 nan 8.380 nan 0.000 0.426 775 E N 0.870 121.107 120.200 0.062 0.000 2.048 775 E HA -0.189 4.176 4.350 0.024 0.000 0.202 775 E C 1.924 178.570 176.600 0.077 0.000 1.021 775 E CA 1.378 57.812 56.400 0.058 0.000 0.825 775 E CB -0.185 29.536 29.700 0.036 0.000 0.756 775 E HN 0.162 nan 8.360 nan 0.000 0.454 776 S N 0.395 116.155 115.700 0.101 0.000 2.365 776 S HA -0.193 4.291 4.470 0.024 0.000 0.221 776 S C 2.040 176.733 174.600 0.155 0.000 1.037 776 S CA 1.267 59.551 58.200 0.140 0.000 1.060 776 S CB -0.308 63.040 63.200 0.248 0.000 0.974 776 S HN 0.174 nan 8.310 nan 0.000 0.427 777 I N 2.007 122.711 120.570 0.224 0.000 2.185 777 I HA -0.277 3.907 4.170 0.024 0.000 0.246 777 I C 2.248 178.447 176.117 0.137 0.000 1.088 777 I CA 1.167 62.590 61.300 0.205 0.000 1.347 777 I CB -0.498 37.645 38.000 0.238 0.000 1.041 777 I HN 0.293 nan 8.210 nan 0.000 0.415 778 N N 0.941 119.712 118.700 0.118 0.000 2.061 778 N HA -0.208 4.547 4.740 0.024 0.000 0.193 778 N C 1.775 177.334 175.510 0.081 0.000 1.030 778 N CA 1.387 54.495 53.050 0.097 0.000 0.856 778 N CB -0.277 38.263 38.487 0.088 0.000 1.023 778 N HN 0.346 nan 8.380 nan 0.000 0.424 779 K N 0.473 120.916 120.400 0.071 0.000 2.103 779 K HA -0.025 4.309 4.320 0.024 0.000 0.207 779 K C 1.917 178.550 176.600 0.055 0.000 1.048 779 K CA 1.130 57.449 56.287 0.053 0.000 0.930 779 K CB -0.132 32.391 32.500 0.037 0.000 0.716 779 K HN 0.163 nan 8.250 nan 0.000 0.444 780 A N 0.890 123.749 122.820 0.064 0.000 1.930 780 A HA -0.123 4.211 4.320 0.024 0.000 0.217 780 A C 2.037 179.671 177.584 0.084 0.000 1.175 780 A CA 1.142 53.225 52.037 0.078 0.000 0.627 780 A CB -0.225 18.830 19.000 0.091 0.000 0.815 780 A HN 0.134 nan 8.150 nan 0.000 0.443 781 M N -0.217 119.436 119.600 0.088 0.000 2.254 781 M HA 0.026 4.520 4.480 0.024 0.000 0.265 781 M C 1.965 178.310 176.300 0.075 0.000 1.066 781 M CA 1.015 56.365 55.300 0.084 0.000 1.123 781 M CB -1.069 31.586 32.600 0.091 0.000 1.388 781 M HN 0.475 nan 8.290 nan 0.000 0.425 782 I N -0.007 120.605 120.570 0.069 0.000 2.394 782 I HA -0.290 3.895 4.170 0.024 0.000 0.251 782 I C 1.878 178.037 176.117 0.071 0.000 1.136 782 I CA 0.750 62.089 61.300 0.065 0.000 1.425 782 I CB -0.763 37.270 38.000 0.056 0.000 1.079 782 I HN 0.250 nan 8.210 nan 0.000 0.425 783 N N 1.686 120.428 118.700 0.069 0.000 2.039 783 N HA -0.127 4.627 4.740 0.024 0.000 0.193 783 N C 1.912 177.484 175.510 0.103 0.000 1.044 783 N CA 1.585 54.680 53.050 0.074 0.000 0.847 783 N CB -0.461 38.057 38.487 0.051 0.000 1.030 783 N HN 0.316 nan 8.380 nan 0.000 0.422 784 I N 1.011 121.630 120.570 0.082 0.000 2.286 784 I HA -0.210 3.974 4.170 0.024 0.000 0.248 784 I C 1.742 177.959 176.117 0.166 0.000 1.115 784 I CA 0.702 62.068 61.300 0.109 0.000 1.392 784 I CB -0.315 37.708 38.000 0.038 0.000 1.065 784 I HN 0.083 nan 8.210 nan 0.000 0.418 785 N N 1.351 120.117 118.700 0.111 0.000 2.013 785 N HA -0.215 4.539 4.740 0.024 0.000 0.195 785 N C 1.791 177.359 175.510 0.097 0.000 1.051 785 N CA 1.371 54.474 53.050 0.089 0.000 0.851 785 N CB -0.430 38.096 38.487 0.065 0.000 1.044 785 N HN 0.286 nan 8.380 nan 0.000 0.422 786 K N 0.059 120.521 120.400 0.104 0.000 2.030 786 K HA -0.248 4.087 4.320 0.024 0.000 0.222 786 K C 2.109 178.787 176.600 0.130 0.000 1.056 786 K CA 1.958 58.310 56.287 0.108 0.000 0.957 786 K CB -0.519 32.048 32.500 0.111 0.000 0.727 786 K HN 0.120 nan 8.250 nan 0.000 0.452 787 F N 1.333 121.307 119.950 0.041 0.000 2.043 787 F HA -0.252 4.290 4.527 0.025 0.000 0.297 787 F C 1.778 177.614 175.800 0.060 0.000 1.118 787 F CA 1.841 59.870 58.000 0.047 0.000 1.202 787 F CB -0.407 38.610 39.000 0.029 0.000 0.965 787 F HN 0.046 nan 8.300 nan 0.000 0.482 788 L N 0.176 121.342 121.223 -0.095 0.000 2.217 788 L HA -0.181 4.173 4.340 0.024 0.000 0.211 788 L C 2.217 179.009 176.870 -0.130 0.000 1.107 788 L CA 0.667 55.366 54.840 -0.234 0.000 0.783 788 L CB -0.865 41.203 42.059 0.014 0.000 0.919 788 L HN 0.204 nan 8.230 nan 0.000 0.442 789 N N 0.313 118.993 118.700 -0.035 0.000 2.043 789 N HA -0.237 4.517 4.740 0.024 0.000 0.193 789 N C 1.880 177.400 175.510 0.017 0.000 1.037 789 N CA 1.410 54.473 53.050 0.022 0.000 0.851 789 N CB -0.287 38.232 38.487 0.054 0.000 1.027 789 N HN 0.369 nan 8.380 nan 0.000 0.422 790 Q N -0.146 119.642 119.800 -0.021 0.000 2.135 790 Q HA -0.087 4.267 4.340 0.024 0.000 0.204 790 Q C 2.303 178.272 176.000 -0.052 0.000 0.981 790 Q CA 1.239 57.041 55.803 -0.002 0.000 0.856 790 Q CB -0.104 28.645 28.738 0.019 0.000 0.902 790 Q HN 0.428 nan 8.270 nan 0.000 0.425 791 C N -0.925 118.253 119.300 -0.203 0.000 2.413 791 C HA -0.174 4.300 4.460 0.024 0.000 0.278 791 C C 2.933 177.938 174.990 0.025 0.000 1.224 791 C CA 1.068 59.985 59.018 -0.170 0.000 1.732 791 C CB -1.133 26.399 27.740 -0.347 0.000 2.050 791 C HN 0.548 nan 8.230 nan 0.000 0.463 792 S N 0.274 116.025 115.700 0.085 0.000 2.359 792 S HA -0.177 4.307 4.470 0.024 0.000 0.223 792 S C 1.844 176.663 174.600 0.365 0.000 1.039 792 S CA 2.135 60.528 58.200 0.321 0.000 1.042 792 S CB -0.342 63.076 63.200 0.363 0.000 0.915 792 S HN 0.409 nan 8.310 nan 0.000 0.439 793 V N 1.810 121.827 119.914 0.172 0.000 2.233 793 V HA -0.171 3.963 4.120 0.024 0.000 0.247 793 V C 2.727 178.670 176.094 -0.252 0.000 1.050 793 V CA 2.178 64.406 62.300 -0.119 0.000 1.010 793 V CB -1.480 30.286 31.823 -0.095 0.000 0.637 793 V HN 0.744 nan 8.190 nan 0.000 0.444 794 S N -0.386 115.227 115.700 -0.144 0.000 2.374 794 S HA -0.344 4.141 4.470 0.024 0.000 0.227 794 S C 2.030 176.624 174.600 -0.011 0.000 1.037 794 S CA 2.187 60.345 58.200 -0.070 0.000 1.024 794 S CB -0.805 62.485 63.200 0.150 0.000 0.861 794 S HN 0.627 nan 8.310 nan 0.000 0.456 795 Y N 1.814 122.084 120.300 -0.050 0.000 2.097 795 Y HA -0.087 4.478 4.550 0.026 0.000 0.282 795 Y C 2.323 178.152 175.900 -0.118 0.000 1.152 795 Y CA 1.888 59.975 58.100 -0.022 0.000 1.136 795 Y CB -0.854 37.639 38.460 0.054 0.000 0.975 795 Y HN 0.369 nan 8.280 nan 0.000 0.498 796 L N -0.281 120.797 121.223 -0.241 0.000 1.990 796 L HA -0.299 4.055 4.340 0.024 0.000 0.213 796 L C 2.115 178.718 176.870 -0.446 0.000 1.072 796 L CA 2.175 56.649 54.840 -0.610 0.000 0.755 796 L CB -0.815 40.421 42.059 -1.372 0.000 0.889 796 L HN 0.259 nan 8.230 nan 0.000 0.432 797 M N 0.224 119.607 119.600 -0.362 0.000 2.159 797 M HA -0.106 4.389 4.480 0.024 0.000 0.263 797 M C 1.587 177.850 176.300 -0.061 0.000 1.063 797 M CA 1.789 56.965 55.300 -0.207 0.000 1.110 797 M CB -1.572 30.858 32.600 -0.284 0.000 1.374 797 M HN 0.727 nan 8.290 nan 0.000 0.411 798 N N -1.590 117.075 118.700 -0.058 0.000 2.171 798 N HA 0.057 4.812 4.740 0.024 0.000 0.212 798 N C 0.135 175.584 175.510 -0.102 0.000 1.184 798 N CA 0.257 53.339 53.050 0.053 0.000 0.888 798 N CB 0.065 38.654 38.487 0.169 0.000 1.038 798 N HN 0.100 nan 8.380 nan 0.000 0.517 799 S N -1.023 114.511 115.700 -0.276 0.000 2.911 799 S HA 0.375 4.859 4.470 0.024 0.000 0.261 799 S C 0.766 175.216 174.600 -0.250 0.000 1.021 799 S CA -0.440 57.576 58.200 -0.306 0.000 1.222 799 S CB 0.137 63.064 63.200 -0.454 0.000 1.171 799 S HN 0.101 nan 8.310 nan 0.000 0.669 800 M N 0.429 119.872 119.600 -0.262 0.000 3.046 800 M HA 0.342 4.836 4.480 0.024 0.000 0.215 800 M C 1.346 177.575 176.300 -0.119 0.000 1.815 800 M CA 0.105 55.321 55.300 -0.140 0.000 1.316 800 M CB -0.422 32.069 32.600 -0.183 0.000 1.187 800 M HN 0.104 nan 8.290 nan 0.000 0.595 801 I N 1.555 121.986 120.570 -0.231 0.000 2.143 801 I HA -0.240 3.945 4.170 0.024 0.000 0.245 801 I C -0.557 175.462 176.117 -0.164 0.000 1.068 801 I CA 2.403 63.557 61.300 -0.243 0.000 1.326 801 I CB -2.366 35.405 38.000 -0.383 0.000 1.028 801 I HN 0.151 nan 8.210 nan 0.000 0.412 802 P HA -0.190 nan 4.420 nan 0.000 0.215 802 P C 1.781 178.893 177.300 -0.314 0.000 1.157 802 P CA 1.587 64.539 63.100 -0.248 0.000 0.874 802 P CB -0.232 31.177 31.700 -0.485 0.000 0.790 803 Y N -0.640 119.522 120.300 -0.229 0.000 2.298 803 Y HA -0.154 4.408 4.550 0.019 0.000 0.287 803 Y C 2.606 178.380 175.900 -0.209 0.000 1.164 803 Y CA 1.496 59.475 58.100 -0.202 0.000 1.229 803 Y CB -1.130 37.229 38.460 -0.168 0.000 0.977 803 Y HN -0.005 nan 8.280 nan 0.000 0.538 804 G N -1.045 107.693 108.800 -0.103 0.000 2.417 804 G HA2 -0.150 3.825 3.960 0.024 0.000 0.212 804 G HA3 -0.150 3.825 3.960 0.024 0.000 0.212 804 G C 1.715 176.389 174.900 -0.378 0.000 1.187 804 G CA 0.796 45.761 45.100 -0.227 0.000 0.804 804 G HN 0.219 nan 8.290 nan 0.000 0.534 805 V N 1.407 121.111 119.914 -0.351 0.000 2.453 805 V HA -0.235 3.899 4.120 0.024 0.000 0.252 805 V C 2.697 178.455 176.094 -0.560 0.000 1.068 805 V CA 2.390 64.426 62.300 -0.439 0.000 1.070 805 V CB -0.414 31.306 31.823 -0.172 0.000 0.664 805 V HN 0.528 nan 8.190 nan 0.000 0.461 806 K N 0.109 120.236 120.400 -0.456 0.000 2.009 806 K HA -0.227 4.107 4.320 0.024 0.000 0.210 806 K C 2.414 178.775 176.600 -0.397 0.000 1.049 806 K CA 1.598 57.592 56.287 -0.488 0.000 0.929 806 K CB -0.212 32.177 32.500 -0.185 0.000 0.714 806 K HN 0.287 nan 8.250 nan 0.000 0.440 807 R N 0.699 121.009 120.500 -0.317 0.000 2.083 807 R HA -0.136 4.218 4.340 0.024 0.000 0.237 807 R C 2.525 178.617 176.300 -0.347 0.000 1.137 807 R CA 1.550 57.489 56.100 -0.269 0.000 0.951 807 R CB -0.839 29.314 30.300 -0.246 0.000 0.851 807 R HN 0.318 nan 8.270 nan 0.000 0.434 808 L N 0.967 121.831 121.223 -0.598 0.000 1.970 808 L HA -0.193 4.162 4.340 0.024 0.000 0.212 808 L C 2.502 179.122 176.870 -0.417 0.000 1.071 808 L CA 1.366 55.712 54.840 -0.824 0.000 0.751 808 L CB -0.554 40.374 42.059 -1.885 0.000 0.889 808 L HN 0.136 nan 8.230 nan 0.000 0.432 809 E N 0.043 119.985 120.200 -0.430 0.000 2.219 809 E HA -0.239 4.125 4.350 0.024 0.000 0.198 809 E C 1.678 178.297 176.600 0.032 0.000 0.998 809 E CA 1.193 57.526 56.400 -0.111 0.000 0.818 809 E CB -0.204 29.197 29.700 -0.497 0.000 0.741 809 E HN 0.540 nan 8.360 nan 0.000 0.477 810 D N -0.489 119.892 120.400 -0.032 0.000 2.162 810 D HA -0.084 4.570 4.640 0.024 0.000 0.205 810 D C 1.786 178.101 176.300 0.025 0.000 0.964 810 D CA 0.343 54.358 54.000 0.025 0.000 0.847 810 D CB -0.320 40.480 40.800 -0.000 0.000 0.988 810 D HN 0.156 nan 8.370 nan 0.000 0.480 811 F N 2.272 122.139 119.950 -0.139 0.000 2.102 811 F HA -0.202 4.337 4.527 0.020 0.000 0.298 811 F C 1.812 177.555 175.800 -0.095 0.000 1.105 811 F CA 1.437 59.341 58.000 -0.160 0.000 1.239 811 F CB -0.173 38.676 39.000 -0.253 0.000 0.991 811 F HN -0.241 nan 8.300 nan 0.000 0.474 812 D N 0.786 121.241 120.400 0.092 0.000 2.177 812 D HA -0.299 4.355 4.640 0.024 0.000 0.189 812 D C 2.421 178.681 176.300 -0.067 0.000 1.002 812 D CA 2.140 56.181 54.000 0.069 0.000 0.845 812 D CB -0.969 40.032 40.800 0.336 0.000 0.960 812 D HN 0.399 nan 8.370 nan 0.000 0.447 813 A N 0.301 123.124 122.820 0.005 0.000 1.882 813 A HA -0.309 4.025 4.320 0.024 0.000 0.220 813 A C 2.351 179.895 177.584 -0.068 0.000 1.253 813 A CA 3.862 55.898 52.037 -0.002 0.000 0.664 813 A CB -1.231 17.786 19.000 0.027 0.000 0.838 813 A HN 0.418 nan 8.150 nan 0.000 0.460 814 S N -0.630 114.993 115.700 -0.129 0.000 2.428 814 S HA -0.066 4.418 4.470 0.024 0.000 0.230 814 S C 1.804 176.289 174.600 -0.192 0.000 1.014 814 S CA 1.288 59.404 58.200 -0.139 0.000 0.957 814 S CB -0.576 62.550 63.200 -0.124 0.000 0.784 814 S HN 0.667 nan 8.310 nan 0.000 0.499 815 L N 1.690 122.706 121.223 -0.345 0.000 2.141 815 L HA 0.104 4.458 4.340 0.024 0.000 0.209 815 L C 2.335 179.136 176.870 -0.115 0.000 1.094 815 L CA 1.744 56.400 54.840 -0.306 0.000 0.763 815 L CB -0.649 41.088 42.059 -0.537 0.000 0.908 815 L HN 0.284 nan 8.230 nan 0.000 0.437 816 K N -0.430 119.920 120.400 -0.083 0.000 1.985 816 K HA -0.211 4.123 4.320 0.024 0.000 0.210 816 K C 1.775 178.378 176.600 0.005 0.000 1.047 816 K CA 1.858 58.137 56.287 -0.012 0.000 0.932 816 K CB -0.315 32.188 32.500 0.005 0.000 0.716 816 K HN 0.328 nan 8.250 nan 0.000 0.439 817 D N 0.431 120.826 120.400 -0.008 0.000 2.204 817 D HA -0.239 4.415 4.640 0.024 0.000 0.189 817 D C 1.756 178.068 176.300 0.019 0.000 1.006 817 D CA 1.982 55.983 54.000 0.002 0.000 0.855 817 D CB -0.447 40.346 40.800 -0.012 0.000 0.946 817 D HN 0.422 nan 8.370 nan 0.000 0.448 818 A N 0.013 122.833 122.820 0.001 0.000 1.933 818 A HA -0.116 4.218 4.320 0.024 0.000 0.218 818 A C 2.464 180.084 177.584 0.060 0.000 1.175 818 A CA 1.008 53.056 52.037 0.019 0.000 0.628 818 A CB -0.682 18.309 19.000 -0.013 0.000 0.814 818 A HN 0.251 nan 8.150 nan 0.000 0.444 819 L N -1.051 120.208 121.223 0.059 0.000 2.109 819 L HA -0.051 4.303 4.340 0.024 0.000 0.207 819 L C 2.358 179.342 176.870 0.190 0.000 1.086 819 L CA 0.718 55.628 54.840 0.116 0.000 0.760 819 L CB -0.217 41.895 42.059 0.088 0.000 0.910 819 L HN 0.355 nan 8.230 nan 0.000 0.437 820 L N -0.577 120.725 121.223 0.132 0.000 2.240 820 L HA -0.148 4.206 4.340 0.024 0.000 0.211 820 L C 2.446 179.410 176.870 0.158 0.000 1.106 820 L CA 0.794 55.714 54.840 0.133 0.000 0.793 820 L CB -0.278 41.833 42.059 0.087 0.000 0.927 820 L HN 0.164 nan 8.230 nan 0.000 0.446 821 K N -0.684 119.802 120.400 0.144 0.000 2.217 821 K HA -0.219 4.115 4.320 0.024 0.000 0.202 821 K C 2.173 178.917 176.600 0.240 0.000 1.051 821 K CA 1.078 57.457 56.287 0.154 0.000 0.952 821 K CB -0.142 32.418 32.500 0.099 0.000 0.736 821 K HN 0.106 nan 8.250 nan 0.000 0.453 822 Y N 1.108 121.462 120.300 0.091 0.000 2.200 822 Y HA -0.092 4.472 4.550 0.024 0.000 0.290 822 Y C 1.596 177.553 175.900 0.095 0.000 1.137 822 Y CA 1.413 59.565 58.100 0.088 0.000 1.163 822 Y CB -0.021 38.484 38.460 0.076 0.000 0.988 822 Y HN 0.002 nan 8.280 nan 0.000 0.518 823 I N -1.442 119.228 120.570 0.167 0.000 2.202 823 I HA -0.336 3.848 4.170 0.024 0.000 0.242 823 I C 2.181 178.331 176.117 0.055 0.000 1.091 823 I CA 1.707 63.043 61.300 0.059 0.000 1.368 823 I CB -0.737 37.324 38.000 0.102 0.000 1.058 823 I HN 0.207 nan 8.210 nan 0.000 0.410 824 Y N 2.148 122.454 120.300 0.010 0.000 2.114 824 Y HA -0.352 4.214 4.550 0.028 0.000 0.282 824 Y C 2.215 178.104 175.900 -0.017 0.000 1.165 824 Y CA 2.041 60.143 58.100 0.003 0.000 1.148 824 Y CB -0.225 38.247 38.460 0.020 0.000 0.972 824 Y HN 0.203 nan 8.280 nan 0.000 0.504 825 D N -0.249 120.235 120.400 0.139 0.000 2.144 825 D HA -0.129 4.526 4.640 0.024 0.000 0.200 825 D C 0.872 177.114 176.300 -0.096 0.000 0.978 825 D CA 1.220 55.245 54.000 0.042 0.000 0.833 825 D CB -0.384 40.476 40.800 0.101 0.000 0.961 825 D HN 0.351 nan 8.370 nan 0.000 0.470 826 N N 0.191 118.797 118.700 -0.158 0.000 2.327 826 N HA 0.038 4.793 4.740 0.024 0.000 0.231 826 N C 1.327 176.746 175.510 -0.153 0.000 1.130 826 N CA -0.112 52.824 53.050 -0.190 0.000 0.845 826 N CB 0.235 38.526 38.487 -0.327 0.000 1.073 826 N HN 0.287 nan 8.380 nan 0.000 0.496 827 R N -0.826 119.577 120.500 -0.162 0.000 2.090 827 R HA 0.055 4.409 4.340 0.024 0.000 0.228 827 R C 1.807 178.037 176.300 -0.117 0.000 1.110 827 R CA 1.378 57.389 56.100 -0.149 0.000 0.973 827 R CB -0.659 29.502 30.300 -0.232 0.000 0.869 827 R HN 0.079 nan 8.270 nan 0.000 0.440 828 G N 1.044 109.773 108.800 -0.119 0.000 2.446 828 G HA2 -0.273 3.702 3.960 0.024 0.000 0.217 828 G HA3 -0.273 3.702 3.960 0.024 0.000 0.217 828 G C 1.339 176.200 174.900 -0.064 0.000 1.168 828 G CA 1.376 46.425 45.100 -0.084 0.000 0.771 828 G HN 0.443 nan 8.290 nan 0.000 0.551 829 T N 1.100 115.614 114.554 -0.067 0.000 2.803 829 T HA -0.062 4.302 4.350 0.024 0.000 0.269 829 T C 2.136 176.808 174.700 -0.047 0.000 1.052 829 T CA 0.962 63.030 62.100 -0.052 0.000 1.136 829 T CB -0.126 68.708 68.868 -0.057 0.000 0.864 829 T HN 0.188 nan 8.240 nan 0.000 0.467 830 L N -0.039 121.149 121.223 -0.057 0.000 2.607 830 L HA 0.389 4.744 4.340 0.024 0.000 0.228 830 L C 2.055 178.906 176.870 -0.032 0.000 1.123 830 L CA -0.133 54.682 54.840 -0.043 0.000 0.890 830 L CB -0.474 41.557 42.059 -0.048 0.000 1.103 830 L HN 0.161 nan 8.230 nan 0.000 0.468 831 I N 1.044 121.591 120.570 -0.037 0.000 2.504 831 I HA -0.451 3.734 4.170 0.024 0.000 0.230 831 I C 2.202 178.307 176.117 -0.019 0.000 0.933 831 I CA 2.276 63.557 61.300 -0.031 0.000 1.236 831 I CB -0.216 37.766 38.000 -0.030 0.000 0.947 831 I HN 0.356 nan 8.210 nan 0.000 0.390 832 G N -0.743 108.049 108.800 -0.014 0.000 2.498 832 G HA2 -0.219 3.755 3.960 0.024 0.000 0.219 832 G HA3 -0.219 3.755 3.960 0.024 0.000 0.219 832 G C 1.078 175.976 174.900 -0.003 0.000 1.119 832 G CA 0.900 45.996 45.100 -0.008 0.000 0.766 832 G HN 0.759 nan 8.290 nan 0.000 0.552 833 Q N -0.514 119.284 119.800 -0.003 0.000 2.084 833 Q HA 0.367 4.721 4.340 0.024 0.000 0.230 833 Q C 1.112 177.118 176.000 0.010 0.000 0.806 833 Q CA -0.223 55.583 55.803 0.005 0.000 1.083 833 Q CB 0.330 29.072 28.738 0.007 0.000 1.208 833 Q HN 0.115 nan 8.270 nan 0.000 0.462 834 V N 1.467 121.386 119.914 0.007 0.000 2.255 834 V HA -0.289 3.845 4.120 0.024 0.000 0.247 834 V C 1.804 177.914 176.094 0.028 0.000 1.051 834 V CA 2.457 64.766 62.300 0.015 0.000 1.018 834 V CB -0.369 31.458 31.823 0.007 0.000 0.641 834 V HN 0.440 nan 8.190 nan 0.000 0.445 835 D N -0.231 120.184 120.400 0.025 0.000 2.104 835 D HA -0.219 4.435 4.640 0.024 0.000 0.194 835 D C 2.274 178.592 176.300 0.030 0.000 0.994 835 D CA 1.469 55.486 54.000 0.029 0.000 0.830 835 D CB -0.392 40.422 40.800 0.024 0.000 0.959 835 D HN 0.315 nan 8.370 nan 0.000 0.452 836 R N 0.354 120.868 120.500 0.025 0.000 2.200 836 R HA -0.099 4.255 4.340 0.024 0.000 0.234 836 R C 2.131 178.451 176.300 0.032 0.000 1.127 836 R CA 0.721 56.836 56.100 0.025 0.000 0.989 836 R CB -0.052 30.260 30.300 0.020 0.000 0.869 836 R HN 0.236 nan 8.270 nan 0.000 0.459 837 L N -0.724 120.522 121.223 0.038 0.000 2.408 837 L HA 0.053 4.407 4.340 0.024 0.000 0.215 837 L C 2.188 179.094 176.870 0.059 0.000 1.081 837 L CA 0.369 55.239 54.840 0.050 0.000 0.840 837 L CB -0.114 41.977 42.059 0.054 0.000 1.002 837 L HN -0.035 nan 8.230 nan 0.000 0.468 838 K N 0.268 120.702 120.400 0.056 0.000 2.148 838 K HA -0.120 4.214 4.320 0.024 0.000 0.204 838 K C 1.322 177.953 176.600 0.053 0.000 1.050 838 K CA 1.075 57.398 56.287 0.061 0.000 0.942 838 K CB -0.019 32.518 32.500 0.060 0.000 0.724 838 K HN 0.261 nan 8.250 nan 0.000 0.446 839 D N 0.904 121.331 120.400 0.045 0.000 2.144 839 D HA -0.132 4.523 4.640 0.024 0.000 0.200 839 D C 1.814 178.137 176.300 0.039 0.000 0.978 839 D CA 1.016 55.039 54.000 0.039 0.000 0.833 839 D CB 0.143 40.962 40.800 0.032 0.000 0.961 839 D HN 0.163 nan 8.370 nan 0.000 0.470 840 K N 0.784 121.209 120.400 0.042 0.000 1.985 840 K HA -0.106 4.228 4.320 0.024 0.000 0.210 840 K C 2.069 178.697 176.600 0.047 0.000 1.047 840 K CA 0.952 57.264 56.287 0.042 0.000 0.932 840 K CB -0.044 32.484 32.500 0.046 0.000 0.716 840 K HN -0.126 nan 8.250 nan 0.000 0.439 841 V N 2.143 122.091 119.914 0.057 0.000 2.407 841 V HA -0.228 3.906 4.120 0.024 0.000 0.248 841 V C 1.980 178.105 176.094 0.053 0.000 1.055 841 V CA 1.742 64.079 62.300 0.061 0.000 1.049 841 V CB -0.567 31.301 31.823 0.074 0.000 0.662 841 V HN 0.414 nan 8.190 nan 0.000 0.455 842 N N 0.100 118.830 118.700 0.051 0.000 2.457 842 N HA -0.051 4.703 4.740 0.024 0.000 0.180 842 N C 1.545 177.081 175.510 0.044 0.000 1.050 842 N CA 0.827 53.906 53.050 0.049 0.000 0.906 842 N CB -0.077 38.439 38.487 0.049 0.000 0.968 842 N HN 0.528 nan 8.380 nan 0.000 0.445 843 N N -0.785 117.937 118.700 0.037 0.000 2.387 843 N HA 0.028 4.782 4.740 0.024 0.000 0.176 843 N C 1.428 176.950 175.510 0.020 0.000 1.022 843 N CA 0.929 53.997 53.050 0.029 0.000 0.883 843 N CB 0.071 38.573 38.487 0.025 0.000 1.019 843 N HN 0.067 nan 8.380 nan 0.000 0.435 844 T N 0.127 114.693 114.554 0.020 0.000 2.942 844 T HA 0.030 4.394 4.350 0.024 0.000 0.265 844 T C 1.293 175.990 174.700 -0.005 0.000 1.062 844 T CA 0.637 62.740 62.100 0.004 0.000 1.139 844 T CB 0.043 68.922 68.868 0.018 0.000 0.883 844 T HN 0.016 nan 8.240 nan 0.000 0.468 845 L N 0.668 121.905 121.223 0.024 0.000 2.567 845 L HA 0.354 4.708 4.340 0.024 0.000 0.225 845 L C 2.143 179.047 176.870 0.057 0.000 1.119 845 L CA 0.794 55.659 54.840 0.042 0.000 0.871 845 L CB -0.299 41.791 42.059 0.052 0.000 1.036 845 L HN 0.094 nan 8.230 nan 0.000 0.459 846 S N -1.253 114.475 115.700 0.047 0.000 2.575 846 S HA 0.071 4.556 4.470 0.024 0.000 0.215 846 S C 0.656 175.288 174.600 0.054 0.000 0.966 846 S CA 0.361 58.601 58.200 0.066 0.000 0.911 846 S CB -0.174 63.065 63.200 0.064 0.000 0.780 846 S HN 0.511 nan 8.310 nan 0.000 0.514 847 T N 0.256 114.813 114.554 0.005 0.000 3.327 847 T HA 0.268 4.632 4.350 0.024 0.000 0.373 847 T C -0.658 173.953 174.700 -0.149 0.000 1.589 847 T CA -0.769 61.313 62.100 -0.031 0.000 1.497 847 T CB 0.460 69.305 68.868 -0.038 0.000 1.032 847 T HN 0.004 nan 8.240 nan 0.000 0.640 848 D N 2.183 122.516 120.400 -0.113 0.000 6.372 848 D HA -0.189 4.465 4.640 0.024 0.000 0.176 848 D C 0.064 176.224 176.300 -0.233 0.000 1.233 848 D CA 0.460 54.387 54.000 -0.122 0.000 0.829 848 D CB -0.837 40.038 40.800 0.126 0.000 1.370 848 D HN 0.707 nan 8.370 nan 0.000 0.761 849 I N 3.495 123.688 120.570 -0.628 0.000 2.813 849 I HA 0.094 4.278 4.170 0.024 0.000 0.287 849 I C -1.433 174.735 176.117 0.085 0.000 1.196 849 I CA -1.181 59.936 61.300 -0.304 0.000 1.421 849 I CB 0.474 38.212 38.000 -0.437 0.000 1.365 849 I HN 0.310 nan 8.210 nan 0.000 0.591 850 P HA 0.124 nan 4.420 nan 0.000 0.297 850 P C -0.660 176.764 177.300 0.207 0.000 1.331 850 P CA -0.433 62.779 63.100 0.188 0.000 0.803 850 P CB 0.656 32.413 31.700 0.094 0.000 0.929 851 F N 3.938 123.900 119.950 0.020 0.000 2.538 851 F HA 0.045 4.587 4.527 0.026 0.000 0.382 851 F C 0.221 176.036 175.800 0.026 0.000 1.069 851 F CA 0.485 58.316 58.000 -0.281 0.000 1.138 851 F CB 0.186 38.958 39.000 -0.379 0.000 1.068 851 F HN 0.284 nan 8.300 nan 0.000 0.556 852 Q N 6.375 125.861 119.800 -0.523 0.000 2.348 852 Q HA 0.225 4.579 4.340 0.024 0.000 0.265 852 Q C 0.665 176.071 176.000 -0.990 0.000 0.998 852 Q CA -0.615 54.878 55.803 -0.517 0.000 0.831 852 Q CB 1.997 30.562 28.738 -0.288 0.000 1.251 852 Q HN 0.844 nan 8.270 nan 0.000 0.456 853 L N 2.597 123.037 121.223 -1.306 0.000 2.093 853 L HA -0.171 4.183 4.340 0.024 0.000 0.208 853 L C 2.145 178.679 176.870 -0.559 0.000 1.085 853 L CA 2.209 56.364 54.840 -1.143 0.000 0.755 853 L CB -0.399 40.689 42.059 -1.618 0.000 0.904 853 L HN 0.789 nan 8.230 nan 0.000 0.435 854 S N -0.994 114.448 115.700 -0.429 0.000 2.423 854 S HA -0.302 4.182 4.470 0.024 0.000 0.238 854 S C 2.025 176.444 174.600 -0.302 0.000 1.028 854 S CA 1.585 59.634 58.200 -0.251 0.000 1.000 854 S CB -0.662 62.446 63.200 -0.153 0.000 0.797 854 S HN 0.567 nan 8.310 nan 0.000 0.487 855 K N -0.592 119.487 120.400 -0.535 0.000 2.366 855 K HA 0.060 4.394 4.320 0.024 0.000 0.198 855 K C 0.748 176.849 176.600 -0.831 0.000 1.044 855 K CA 1.070 56.910 56.287 -0.744 0.000 0.973 855 K CB -0.062 31.794 32.500 -1.073 0.000 0.767 855 K HN 0.711 nan 8.250 nan 0.000 0.475 856 Y N -1.287 118.979 120.300 -0.056 0.000 2.423 856 Y HA 0.165 4.730 4.550 0.025 0.000 0.257 856 Y C 0.463 176.400 175.900 0.062 0.000 1.087 856 Y CA -0.684 57.440 58.100 0.040 0.000 1.258 856 Y CB 1.009 39.532 38.460 0.105 0.000 1.237 856 Y HN -0.302 nan 8.280 nan 0.000 0.517 857 V N 0.268 120.240 119.914 0.097 0.000 2.919 857 V HA 0.250 4.384 4.120 0.024 0.000 0.316 857 V C -0.525 175.587 176.094 0.032 0.000 1.077 857 V CA -0.630 61.731 62.300 0.102 0.000 0.977 857 V CB 2.075 33.974 31.823 0.127 0.000 1.039 857 V HN -0.026 nan 8.190 nan 0.000 0.441 858 D N 0.617 121.044 120.400 0.044 0.000 2.433 858 D HA 0.093 4.747 4.640 0.024 0.000 0.211 858 D C 0.465 176.769 176.300 0.006 0.000 1.114 858 D CA 0.256 54.264 54.000 0.014 0.000 0.837 858 D CB 0.225 41.038 40.800 0.021 0.000 0.984 858 D HN 0.445 nan 8.370 nan 0.000 0.505 859 N N 1.560 120.271 118.700 0.017 0.000 2.439 859 N HA -0.010 4.744 4.740 0.024 0.000 0.249 859 N C 0.837 176.357 175.510 0.017 0.000 1.003 859 N CA -0.116 52.941 53.050 0.011 0.000 0.942 859 N CB 1.358 39.851 38.487 0.009 0.000 1.115 859 N HN -0.203 nan 8.380 nan 0.000 0.505 860 Q N 3.483 123.289 119.800 0.010 0.000 2.096 860 Q HA -0.135 4.219 4.340 0.024 0.000 0.204 860 Q C 1.883 177.903 176.000 0.034 0.000 0.982 860 Q CA 1.703 57.517 55.803 0.018 0.000 0.850 860 Q CB -0.196 28.549 28.738 0.012 0.000 0.901 860 Q HN 0.661 nan 8.270 nan 0.000 0.422 861 R N -0.774 119.743 120.500 0.029 0.000 2.080 861 R HA -0.157 4.197 4.340 0.024 0.000 0.236 861 R C 2.196 178.536 176.300 0.066 0.000 1.137 861 R CA 1.660 57.784 56.100 0.039 0.000 0.943 861 R CB -0.281 30.033 30.300 0.023 0.000 0.846 861 R HN 0.285 nan 8.270 nan 0.000 0.431 862 L N 0.295 121.564 121.223 0.077 0.000 2.049 862 L HA -0.114 4.240 4.340 0.024 0.000 0.203 862 L C 2.376 179.327 176.870 0.135 0.000 1.074 862 L CA 0.954 55.869 54.840 0.126 0.000 0.749 862 L CB -0.403 41.761 42.059 0.176 0.000 0.907 862 L HN 0.194 nan 8.230 nan 0.000 0.439 863 L N -0.271 121.009 121.223 0.094 0.000 2.137 863 L HA -0.264 4.090 4.340 0.024 0.000 0.213 863 L C 2.589 179.562 176.870 0.172 0.000 1.085 863 L CA 1.670 56.575 54.840 0.107 0.000 0.760 863 L CB -0.887 41.199 42.059 0.045 0.000 0.893 863 L HN 0.456 nan 8.230 nan 0.000 0.434 864 S N -2.790 112.982 115.700 0.119 0.000 2.527 864 S HA -0.045 4.440 4.470 0.024 0.000 0.222 864 S C 1.733 176.401 174.600 0.114 0.000 0.985 864 S CA 0.778 59.039 58.200 0.101 0.000 0.921 864 S CB -0.138 63.101 63.200 0.064 0.000 0.772 864 S HN 0.314 nan 8.310 nan 0.000 0.529 865 T N 1.402 116.042 114.554 0.144 0.000 3.014 865 T HA 0.193 4.557 4.350 0.024 0.000 0.263 865 T C 1.104 175.918 174.700 0.189 0.000 1.078 865 T CA 0.728 62.915 62.100 0.145 0.000 1.135 865 T CB -0.334 68.616 68.868 0.137 0.000 0.895 865 T HN 0.547 nan 8.240 nan 0.000 0.480 866 F N 2.183 122.154 119.950 0.035 0.000 2.219 866 F HA -0.009 4.532 4.527 0.023 0.000 0.294 866 F C 2.245 178.084 175.800 0.066 0.000 1.086 866 F CA 0.966 58.977 58.000 0.017 0.000 1.330 866 F CB -0.666 38.312 39.000 -0.038 0.000 1.047 866 F HN -0.004 nan 8.300 nan 0.000 0.495 867 T N -0.243 114.359 114.554 0.079 0.000 2.803 867 T HA -0.222 4.142 4.350 0.024 0.000 0.269 867 T C 1.599 176.256 174.700 -0.071 0.000 1.052 867 T CA 1.711 63.777 62.100 -0.056 0.000 1.136 867 T CB -0.339 68.551 68.868 0.037 0.000 0.864 867 T HN 0.241 nan 8.240 nan 0.000 0.467 868 E N 0.197 120.401 120.200 0.007 0.000 2.158 868 E HA -0.007 4.357 4.350 0.024 0.000 0.191 868 E C 1.611 178.225 176.600 0.023 0.000 0.982 868 E CA 0.583 56.993 56.400 0.017 0.000 0.823 868 E CB -0.276 29.455 29.700 0.052 0.000 0.766 868 E HN 0.734 nan 8.360 nan 0.000 0.468 869 Y N -0.374 119.852 120.300 -0.123 0.000 2.365 869 Y HA 0.082 4.646 4.550 0.023 0.000 0.293 869 Y C 1.663 177.458 175.900 -0.175 0.000 1.119 869 Y CA 0.898 58.928 58.100 -0.118 0.000 1.203 869 Y CB 0.162 38.578 38.460 -0.074 0.000 1.026 869 Y HN -0.005 nan 8.280 nan 0.000 0.549 870 I N 0.373 120.904 120.570 -0.066 0.000 2.286 870 I HA -0.266 3.919 4.170 0.024 0.000 0.245 870 I C 2.348 178.380 176.117 -0.142 0.000 1.104 870 I CA 1.214 62.423 61.300 -0.151 0.000 1.397 870 I CB -0.419 37.398 38.000 -0.305 0.000 1.072 870 I HN 0.107 nan 8.210 nan 0.000 0.417 871 K N 0.789 121.112 120.400 -0.127 0.000 2.293 871 K HA -0.215 4.119 4.320 0.024 0.000 0.204 871 K C 0.560 177.091 176.600 -0.116 0.000 1.045 871 K CA 0.980 57.204 56.287 -0.105 0.000 0.933 871 K CB -0.195 32.256 32.500 -0.080 0.000 0.736 871 K HN 0.137 nan 8.250 nan 0.000 0.463 872 N N 0.863 119.473 118.700 -0.150 0.000 2.546 872 N HA 0.086 4.841 4.740 0.024 0.000 0.238 872 N C 0.755 176.168 175.510 -0.162 0.000 0.984 872 N CA -0.232 52.722 53.050 -0.160 0.000 0.935 872 N CB 0.558 38.933 38.487 -0.186 0.000 1.122 872 N HN 0.038 nan 8.380 nan 0.000 0.510 873 I N 1.061 121.554 120.570 -0.128 0.000 2.761 873 I HA -0.167 4.018 4.170 0.024 0.000 0.266 873 I C 1.582 177.684 176.117 -0.026 0.000 1.239 873 I CA 1.007 62.238 61.300 -0.115 0.000 1.451 873 I CB -0.246 37.642 38.000 -0.187 0.000 1.096 873 I HN 0.465 nan 8.210 nan 0.000 0.465 874 I N 1.224 121.775 120.570 -0.032 0.000 3.265 874 I HA -0.056 4.128 4.170 0.024 0.000 0.282 874 I C 1.683 177.768 176.117 -0.053 0.000 1.207 874 I CA 0.646 61.974 61.300 0.046 0.000 1.449 874 I CB -0.071 37.937 38.000 0.013 0.000 1.121 874 I HN 0.110 nan 8.210 nan 0.000 0.442 875 N N 0.557 119.137 118.700 -0.200 0.000 2.443 875 N HA -0.142 4.613 4.740 0.024 0.000 0.184 875 N C 1.588 177.016 175.510 -0.137 0.000 1.037 875 N CA 1.707 54.553 53.050 -0.339 0.000 0.896 875 N CB -0.495 37.382 38.487 -1.016 0.000 0.959 875 N HN 0.484 nan 8.380 nan 0.000 0.442 876 T N -3.047 111.478 114.554 -0.048 0.000 3.086 876 T HA 0.136 4.501 4.350 0.024 0.000 0.250 876 T C 0.792 175.525 174.700 0.055 0.000 1.074 876 T CA -0.394 61.736 62.100 0.050 0.000 0.988 876 T CB -0.319 68.591 68.868 0.070 0.000 0.988 876 T HN 0.129 nan 8.240 nan 0.000 0.530 877 S N 1.776 117.489 115.700 0.021 0.000 2.580 877 S HA 0.257 4.742 4.470 0.024 0.000 0.266 877 S C 1.170 175.570 174.600 -0.333 0.000 1.354 877 S CA -0.333 57.784 58.200 -0.139 0.000 1.008 877 S CB 0.112 63.151 63.200 -0.268 0.000 0.898 877 S HN 0.630 nan 8.310 nan 0.000 0.555 878 I N -1.907 118.406 120.570 -0.428 0.000 4.082 878 I HA 0.544 4.729 4.170 0.024 0.000 0.337 878 I C -0.541 175.358 176.117 -0.363 0.000 1.352 878 I CA -0.291 60.544 61.300 -0.774 0.000 1.097 878 I CB 0.307 38.011 38.000 -0.493 0.000 1.048 878 I HN 0.386 nan 8.210 nan 0.000 0.393 879 L N 1.721 122.819 121.223 -0.208 0.000 2.513 879 L HA 0.579 4.934 4.340 0.024 0.000 0.261 879 L C -1.689 175.134 176.870 -0.079 0.000 0.945 879 L CA -0.367 54.467 54.840 -0.011 0.000 0.848 879 L CB 2.008 44.188 42.059 0.201 0.000 1.334 879 L HN 0.164 nan 8.230 nan 0.000 0.407 880 N N 3.896 122.611 118.700 0.025 0.000 2.751 880 N HA 0.291 5.045 4.740 0.024 0.000 0.238 880 N C -1.912 173.656 175.510 0.097 0.000 1.351 880 N CA -0.245 52.814 53.050 0.015 0.000 0.751 880 N CB 0.509 38.979 38.487 -0.029 0.000 1.342 880 N HN 0.432 nan 8.380 nan 0.000 0.540 881 L N 3.283 124.620 121.223 0.190 0.000 2.334 881 L HA 0.439 4.793 4.340 0.024 0.000 0.286 881 L C 0.070 177.060 176.870 0.200 0.000 1.108 881 L CA -0.024 54.936 54.840 0.200 0.000 0.875 881 L CB -0.050 42.167 42.059 0.263 0.000 1.246 881 L HN 0.185 nan 8.230 nan 0.000 0.439 882 R N 2.251 122.829 120.500 0.129 0.000 2.589 882 R HA 0.285 4.639 4.340 0.024 0.000 0.293 882 R C -0.946 175.420 176.300 0.110 0.000 0.963 882 R CA -0.969 55.224 56.100 0.155 0.000 0.905 882 R CB 0.841 31.198 30.300 0.095 0.000 1.144 882 R HN 0.320 nan 8.270 nan 0.000 0.459 883 Y N 2.032 122.367 120.300 0.058 0.000 2.436 883 Y HA 0.093 4.658 4.550 0.024 0.000 0.336 883 Y C -0.162 175.720 175.900 -0.030 0.000 1.049 883 Y CA 0.722 58.809 58.100 -0.022 0.000 1.294 883 Y CB 0.645 39.085 38.460 -0.033 0.000 1.179 883 Y HN 0.314 nan 8.280 nan 0.000 0.520 884 E N 2.979 123.094 120.200 -0.142 0.000 2.292 884 E HA 0.159 4.524 4.350 0.024 0.000 0.272 884 E C -0.551 176.020 176.600 -0.049 0.000 0.881 884 E CA -0.307 56.077 56.400 -0.027 0.000 0.754 884 E CB 1.770 31.417 29.700 -0.087 0.000 1.201 884 E HN 0.672 nan 8.360 nan 0.000 0.425 885 S N 3.041 118.804 115.700 0.105 0.000 3.280 885 S HA -0.292 4.193 4.470 0.024 0.000 0.349 885 S C 0.399 175.060 174.600 0.103 0.000 0.936 885 S CA 0.850 59.138 58.200 0.146 0.000 1.301 885 S CB -1.380 61.943 63.200 0.204 0.000 0.907 885 S HN 0.742 nan 8.310 nan 0.000 0.516 886 N N -0.670 118.035 118.700 0.007 0.000 2.925 886 N HA -0.173 4.581 4.740 0.024 0.000 0.244 886 N C -0.416 174.682 175.510 -0.687 0.000 1.000 886 N CA 1.804 54.743 53.050 -0.185 0.000 0.895 886 N CB -1.400 37.015 38.487 -0.121 0.000 1.119 886 N HN 1.001 nan 8.380 nan 0.000 0.569 887 H N -0.793 117.849 119.070 -0.714 0.000 2.974 887 H HA 0.469 5.039 4.556 0.024 0.000 0.366 887 H C -0.557 174.222 175.328 -0.915 0.000 1.155 887 H CA -0.772 54.896 56.048 -0.634 0.000 1.186 887 H CB 1.432 31.069 29.762 -0.208 0.000 1.799 887 H HN 0.031 nan 8.280 nan 0.000 0.541 888 L N 4.702 125.604 121.223 -0.535 0.000 2.360 888 L HA 0.438 4.792 4.340 0.024 0.000 0.276 888 L C -0.698 176.074 176.870 -0.164 0.000 1.121 888 L CA 0.196 54.878 54.840 -0.264 0.000 0.845 888 L CB -0.727 41.356 42.059 0.039 0.000 1.143 888 L HN 0.629 nan 8.230 nan 0.000 0.452 889 I N 0.549 121.007 120.570 -0.187 0.000 3.343 889 I HA 0.633 4.817 4.170 0.024 0.000 0.315 889 I C -1.286 174.787 176.117 -0.074 0.000 1.153 889 I CA -1.054 60.127 61.300 -0.198 0.000 0.952 889 I CB 2.046 39.756 38.000 -0.484 0.000 1.287 889 I HN 0.522 nan 8.210 nan 0.000 0.472 890 D N 1.219 121.595 120.400 -0.040 0.000 2.453 890 D HA 0.422 5.077 4.640 0.024 0.000 0.238 890 D C 0.316 176.628 176.300 0.019 0.000 1.088 890 D CA -0.497 53.523 54.000 0.033 0.000 0.854 890 D CB 1.212 42.069 40.800 0.096 0.000 1.076 890 D HN 0.641 nan 8.370 nan 0.000 0.533 891 L N 2.565 123.794 121.223 0.009 0.000 2.551 891 L HA -0.003 4.351 4.340 0.024 0.000 0.228 891 L C 1.949 178.845 176.870 0.043 0.000 1.153 891 L CA 0.587 55.433 54.840 0.010 0.000 0.851 891 L CB -0.389 41.668 42.059 -0.003 0.000 0.959 891 L HN 0.431 nan 8.230 nan 0.000 0.451 892 S N -1.263 114.470 115.700 0.056 0.000 2.528 892 S HA -0.003 4.481 4.470 0.024 0.000 0.219 892 S C 1.093 175.818 174.600 0.208 0.000 0.985 892 S CA -0.397 57.850 58.200 0.079 0.000 0.914 892 S CB 0.178 63.362 63.200 -0.027 0.000 0.776 892 S HN 0.391 nan 8.310 nan 0.000 0.526 893 R N -1.285 119.322 120.500 0.178 0.000 3.951 893 R HA -0.188 4.166 4.340 0.024 0.000 0.352 893 R C -0.125 176.297 176.300 0.203 0.000 1.178 893 R CA 1.249 57.450 56.100 0.168 0.000 0.949 893 R CB -3.096 27.275 30.300 0.118 0.000 1.452 893 R HN 0.559 nan 8.270 nan 0.000 0.540 894 Y N 0.632 120.938 120.300 0.011 0.000 2.177 894 Y HA 0.300 4.863 4.550 0.022 0.000 0.291 894 Y C 1.914 177.835 175.900 0.035 0.000 1.117 894 Y CA 0.643 58.743 58.100 -0.001 0.000 1.114 894 Y CB -0.374 38.098 38.460 0.019 0.000 1.017 894 Y HN 0.271 nan 8.280 nan 0.000 0.505 895 A N 0.456 123.419 122.820 0.240 0.000 2.583 895 A HA 0.048 4.383 4.320 0.024 0.000 0.249 895 A C 1.766 179.425 177.584 0.125 0.000 1.035 895 A CA 0.863 53.005 52.037 0.174 0.000 0.777 895 A CB -0.201 18.901 19.000 0.170 0.000 0.942 895 A HN 0.485 nan 8.150 nan 0.000 0.516 896 S N 2.205 117.970 115.700 0.109 0.000 2.377 896 S HA 0.024 4.508 4.470 0.024 0.000 0.223 896 S C 0.782 175.434 174.600 0.085 0.000 1.030 896 S CA 1.452 59.705 58.200 0.089 0.000 0.970 896 S CB -0.124 63.123 63.200 0.078 0.000 0.830 896 S HN 0.832 nan 8.310 nan 0.000 0.473 897 K N -0.242 120.212 120.400 0.090 0.000 2.523 897 K HA 0.577 4.911 4.320 0.024 0.000 0.257 897 K C -2.003 174.654 176.600 0.095 0.000 0.932 897 K CA -0.595 55.742 56.287 0.084 0.000 0.812 897 K CB 1.679 34.222 32.500 0.072 0.000 1.326 897 K HN 0.294 nan 8.250 nan 0.000 0.433 898 I N 3.732 124.357 120.570 0.092 0.000 2.420 898 I HA 0.284 4.468 4.170 0.024 0.000 0.282 898 I C -0.807 175.372 176.117 0.103 0.000 1.019 898 I CA -1.036 60.326 61.300 0.104 0.000 1.130 898 I CB 1.524 39.583 38.000 0.098 0.000 1.262 898 I HN 0.440 nan 8.210 nan 0.000 0.454 899 N N 7.418 126.180 118.700 0.103 0.000 2.434 899 N HA 0.510 5.264 4.740 0.024 0.000 0.272 899 N C -0.626 174.953 175.510 0.115 0.000 1.040 899 N CA -0.173 52.937 53.050 0.099 0.000 0.956 899 N CB 1.994 40.529 38.487 0.081 0.000 1.108 899 N HN 0.463 nan 8.380 nan 0.000 0.481 900 I N 0.726 121.374 120.570 0.129 0.000 2.378 900 I HA 0.323 4.507 4.170 0.024 0.000 0.291 900 I C 1.304 177.492 176.117 0.119 0.000 0.992 900 I CA -0.830 60.559 61.300 0.148 0.000 1.154 900 I CB 1.615 39.752 38.000 0.230 0.000 1.315 900 I HN 0.359 nan 8.210 nan 0.000 0.448 901 G N 2.528 111.382 108.800 0.091 0.000 2.664 901 G HA2 0.059 4.034 3.960 0.024 0.000 0.242 901 G HA3 0.059 4.034 3.960 0.024 0.000 0.242 901 G C 0.896 175.839 174.900 0.071 0.000 1.225 901 G CA -0.100 45.041 45.100 0.068 0.000 0.849 901 G HN 0.646 nan 8.290 nan 0.000 0.581 902 S N -0.276 115.457 115.700 0.054 0.000 2.382 902 S HA -0.055 4.429 4.470 0.024 0.000 0.228 902 S C 1.403 176.029 174.600 0.044 0.000 1.027 902 S CA 1.179 59.409 58.200 0.050 0.000 0.991 902 S CB -0.168 63.051 63.200 0.031 0.000 0.823 902 S HN 0.470 nan 8.310 nan 0.000 0.469 903 K N 1.936 122.355 120.400 0.031 0.000 3.174 903 K HA 0.322 4.656 4.320 0.024 0.000 0.207 903 K C -1.043 175.596 176.600 0.066 0.000 1.190 903 K CA -0.145 56.155 56.287 0.022 0.000 1.054 903 K CB 1.069 33.545 32.500 -0.039 0.000 1.154 903 K HN 0.159 nan 8.250 nan 0.000 0.495 904 V N 1.617 121.545 119.914 0.023 0.000 2.509 904 V HA 0.160 4.294 4.120 0.024 0.000 0.284 904 V C 0.136 176.128 176.094 -0.171 0.000 1.047 904 V CA -0.804 61.436 62.300 -0.100 0.000 0.952 904 V CB 1.274 32.999 31.823 -0.165 0.000 0.988 904 V HN 0.363 nan 8.190 nan 0.000 0.469 905 N N 3.336 121.859 118.700 -0.294 0.000 2.417 905 N HA 0.467 5.222 4.740 0.024 0.000 0.274 905 N C -1.268 174.024 175.510 -0.364 0.000 0.987 905 N CA -0.424 52.502 53.050 -0.206 0.000 0.912 905 N CB 0.808 39.256 38.487 -0.065 0.000 1.177 905 N HN 0.384 nan 8.380 nan 0.000 0.490 906 F N 0.923 120.927 119.950 0.091 0.000 2.408 906 F HA 0.223 4.764 4.527 0.023 0.000 0.344 906 F C 0.923 176.814 175.800 0.152 0.000 1.112 906 F CA -0.870 57.197 58.000 0.112 0.000 1.096 906 F CB 0.960 39.983 39.000 0.039 0.000 1.129 906 F HN 0.343 nan 8.300 nan 0.000 0.486 907 D N 5.330 125.981 120.400 0.418 0.000 2.344 907 D HA 0.126 4.780 4.640 0.024 0.000 0.253 907 D C -1.870 174.508 176.300 0.130 0.000 1.255 907 D CA -2.041 52.140 54.000 0.302 0.000 0.894 907 D CB 1.416 42.321 40.800 0.174 0.000 1.067 907 D HN 0.189 nan 8.370 nan 0.000 0.492 908 P HA -0.065 nan 4.420 nan 0.000 0.225 908 P C 1.520 178.842 177.300 0.037 0.000 1.148 908 P CA 0.248 63.383 63.100 0.058 0.000 0.779 908 P CB 0.450 32.195 31.700 0.075 0.000 0.780 909 I N -0.619 119.979 120.570 0.047 0.000 2.277 909 I HA -0.051 4.134 4.170 0.024 0.000 0.243 909 I C 0.533 176.692 176.117 0.069 0.000 1.094 909 I CA 1.574 62.913 61.300 0.065 0.000 1.393 909 I CB -0.681 37.369 38.000 0.084 0.000 1.078 909 I HN 0.007 nan 8.210 nan 0.000 0.417 910 D N 0.447 120.854 120.400 0.012 0.000 2.358 910 D HA 0.144 4.798 4.640 0.024 0.000 0.253 910 D C 0.683 176.943 176.300 -0.066 0.000 1.288 910 D CA -0.199 53.794 54.000 -0.012 0.000 0.950 910 D CB 0.836 41.561 40.800 -0.125 0.000 1.197 910 D HN -0.060 nan 8.370 nan 0.000 0.550 911 K N 1.655 121.951 120.400 -0.174 0.000 2.515 911 K HA -0.007 4.327 4.320 0.024 0.000 0.196 911 K C 0.959 177.484 176.600 -0.125 0.000 1.038 911 K CA 0.131 56.195 56.287 -0.373 0.000 0.967 911 K CB 0.252 31.991 32.500 -1.268 0.000 0.780 911 K HN 0.369 nan 8.250 nan 0.000 0.483 912 N N 1.606 120.307 118.700 0.001 0.000 2.512 912 N HA -0.075 4.679 4.740 0.024 0.000 0.183 912 N C 0.008 175.566 175.510 0.081 0.000 1.073 912 N CA 0.672 53.792 53.050 0.116 0.000 0.911 912 N CB 0.259 38.789 38.487 0.072 0.000 0.964 912 N HN 0.365 nan 8.380 nan 0.000 0.447 913 Q N 0.925 120.791 119.800 0.109 0.000 2.349 913 Q HA 0.322 4.677 4.340 0.024 0.000 0.254 913 Q C -0.325 175.988 176.000 0.522 0.000 0.980 913 Q CA 0.062 56.028 55.803 0.272 0.000 0.924 913 Q CB 1.395 30.230 28.738 0.162 0.000 1.209 913 Q HN 0.168 nan 8.270 nan 0.000 0.445 914 I N 2.011 122.826 120.570 0.408 0.000 2.359 914 I HA 0.199 4.384 4.170 0.024 0.000 0.294 914 I C 0.064 176.096 176.117 -0.142 0.000 0.987 914 I CA -0.523 60.796 61.300 0.032 0.000 1.225 914 I CB 1.574 39.508 38.000 -0.111 0.000 1.366 914 I HN 0.422 nan 8.210 nan 0.000 0.466 915 Q N 6.439 125.807 119.800 -0.720 0.000 2.307 915 Q HA 0.607 4.962 4.340 0.024 0.000 0.262 915 Q C -1.610 173.894 176.000 -0.827 0.000 0.961 915 Q CA -0.695 54.338 55.803 -1.282 0.000 0.882 915 Q CB 1.610 29.085 28.738 -2.105 0.000 1.264 915 Q HN 0.586 nan 8.270 nan 0.000 0.446 916 L N 4.409 125.236 121.223 -0.661 0.000 2.333 916 L HA 0.521 4.875 4.340 0.024 0.000 0.280 916 L C -0.934 175.692 176.870 -0.407 0.000 1.004 916 L CA -0.578 54.029 54.840 -0.387 0.000 0.820 916 L CB 1.049 43.017 42.059 -0.152 0.000 1.247 916 L HN 0.591 nan 8.230 nan 0.000 0.416 917 F N 0.916 120.809 119.950 -0.096 0.000 2.440 917 F HA 0.268 4.809 4.527 0.024 0.000 0.328 917 F C 1.271 177.055 175.800 -0.026 0.000 1.070 917 F CA -0.592 57.386 58.000 -0.037 0.000 1.011 917 F CB 0.756 39.714 39.000 -0.071 0.000 1.226 917 F HN 0.430 nan 8.300 nan 0.000 0.491 918 N N 2.404 121.219 118.700 0.192 0.000 2.715 918 N HA 0.064 4.818 4.740 0.024 0.000 0.254 918 N C -0.993 174.551 175.510 0.056 0.000 1.306 918 N CA 0.252 53.343 53.050 0.068 0.000 0.956 918 N CB -0.788 37.697 38.487 -0.004 0.000 1.296 918 N HN 0.428 nan 8.380 nan 0.000 0.512 919 L N -0.021 121.252 121.223 0.084 0.000 2.334 919 L HA 0.314 4.668 4.340 0.024 0.000 0.275 919 L C 1.450 178.339 176.870 0.032 0.000 1.036 919 L CA -0.637 54.222 54.840 0.032 0.000 0.807 919 L CB 1.309 43.371 42.059 0.006 0.000 1.231 919 L HN 0.057 nan 8.230 nan 0.000 0.438 920 E N 0.467 120.674 120.200 0.013 0.000 2.515 920 E HA -0.120 4.244 4.350 0.024 0.000 0.201 920 E C 1.182 177.794 176.600 0.019 0.000 1.071 920 E CA 0.901 57.309 56.400 0.013 0.000 0.880 920 E CB 0.219 29.920 29.700 0.003 0.000 0.828 920 E HN 0.692 nan 8.360 nan 0.000 0.540 921 S N -0.981 114.732 115.700 0.021 0.000 2.559 921 S HA 0.107 4.591 4.470 0.024 0.000 0.226 921 S C 0.750 175.372 174.600 0.037 0.000 1.000 921 S CA -0.543 57.671 58.200 0.024 0.000 0.948 921 S CB 0.810 64.018 63.200 0.013 0.000 0.870 921 S HN -0.092 nan 8.310 nan 0.000 0.497 922 S N 2.608 118.340 115.700 0.054 0.000 3.363 922 S HA 0.483 4.967 4.470 0.024 0.000 0.267 922 S C -0.627 173.999 174.600 0.043 0.000 1.288 922 S CA -0.682 57.559 58.200 0.069 0.000 0.948 922 S CB -0.542 62.752 63.200 0.157 0.000 1.397 922 S HN 0.730 nan 8.310 nan 0.000 0.493 923 K N 2.195 122.619 120.400 0.039 0.000 2.543 923 K HA 0.573 4.908 4.320 0.024 0.000 0.255 923 K C -1.488 175.156 176.600 0.072 0.000 0.934 923 K CA -0.743 55.578 56.287 0.057 0.000 0.810 923 K CB 1.042 33.573 32.500 0.052 0.000 1.315 923 K HN 0.248 nan 8.250 nan 0.000 0.433 924 I N 2.065 122.705 120.570 0.117 0.000 2.382 924 I HA 0.240 4.424 4.170 0.024 0.000 0.286 924 I C -0.673 175.582 176.117 0.230 0.000 1.002 924 I CA -0.578 60.806 61.300 0.139 0.000 1.135 924 I CB 1.821 39.855 38.000 0.055 0.000 1.288 924 I HN 0.744 nan 8.210 nan 0.000 0.448 925 E N 6.425 126.719 120.200 0.156 0.000 2.146 925 E HA 0.466 4.831 4.350 0.024 0.000 0.282 925 E C -1.386 175.305 176.600 0.152 0.000 0.989 925 E CA -0.623 55.858 56.400 0.135 0.000 0.799 925 E CB 1.418 31.162 29.700 0.073 0.000 1.088 925 E HN 0.365 nan 8.360 nan 0.000 0.397 926 V N 6.652 126.673 119.914 0.177 0.000 2.370 926 V HA 0.360 4.495 4.120 0.024 0.000 0.283 926 V C 0.083 176.252 176.094 0.125 0.000 1.023 926 V CA -0.602 61.804 62.300 0.177 0.000 0.857 926 V CB 1.096 33.077 31.823 0.265 0.000 0.985 926 V HN 0.672 nan 8.190 nan 0.000 0.443 927 I N 5.642 126.279 120.570 0.112 0.000 2.382 927 I HA 0.315 4.499 4.170 0.024 0.000 0.286 927 I C -0.585 175.596 176.117 0.106 0.000 1.002 927 I CA -0.716 60.638 61.300 0.091 0.000 1.135 927 I CB 1.728 39.769 38.000 0.069 0.000 1.288 927 I HN 0.360 nan 8.210 nan 0.000 0.448 928 L N 6.758 128.051 121.223 0.115 0.000 2.452 928 L HA 0.210 4.564 4.340 0.024 0.000 0.267 928 L C 0.659 177.581 176.870 0.088 0.000 1.188 928 L CA 0.024 54.940 54.840 0.127 0.000 0.821 928 L CB 0.125 42.278 42.059 0.155 0.000 1.102 928 L HN 0.432 nan 8.230 nan 0.000 0.470 929 K N 2.010 122.453 120.400 0.072 0.000 2.485 929 K HA -0.044 4.290 4.320 0.024 0.000 0.277 929 K C 0.728 177.352 176.600 0.041 0.000 0.990 929 K CA -0.182 56.135 56.287 0.049 0.000 0.994 929 K CB 0.463 32.970 32.500 0.011 0.000 0.906 929 K HN 0.455 nan 8.250 nan 0.000 0.488 930 N N 1.749 120.482 118.700 0.056 0.000 2.062 930 N HA -0.115 4.639 4.740 0.024 0.000 0.191 930 N C 1.020 176.559 175.510 0.049 0.000 1.042 930 N CA 1.381 54.459 53.050 0.047 0.000 0.845 930 N CB -0.292 38.222 38.487 0.044 0.000 1.024 930 N HN 0.663 nan 8.380 nan 0.000 0.424 931 A N -0.186 122.685 122.820 0.085 0.000 2.281 931 A HA 0.185 4.519 4.320 0.024 0.000 0.231 931 A C 1.530 179.153 177.584 0.064 0.000 1.317 931 A CA 0.115 52.214 52.037 0.103 0.000 0.959 931 A CB -0.642 18.443 19.000 0.142 0.000 0.900 931 A HN 0.370 nan 8.150 nan 0.000 0.497 932 I N -0.732 119.810 120.570 -0.046 0.000 4.624 932 I HA 0.100 4.284 4.170 0.024 0.000 0.327 932 I C 0.214 176.342 176.117 0.018 0.000 1.295 932 I CA 0.227 61.398 61.300 -0.215 0.000 1.267 932 I CB 1.175 38.842 38.000 -0.554 0.000 1.249 932 I HN 0.188 nan 8.210 nan 0.000 0.440 933 V N -0.085 119.872 119.914 0.072 0.000 2.567 933 V HA 0.458 4.592 4.120 0.024 0.000 0.289 933 V C -0.747 175.422 176.094 0.126 0.000 1.049 933 V CA -0.339 62.016 62.300 0.091 0.000 0.969 933 V CB 0.666 32.481 31.823 -0.014 0.000 0.995 933 V HN 0.282 nan 8.190 nan 0.000 0.471 934 Y N 1.217 121.450 120.300 -0.112 0.000 2.545 934 Y HA 0.615 5.172 4.550 0.012 0.000 0.348 934 Y C 0.934 176.740 175.900 -0.157 0.000 1.002 934 Y CA -1.235 56.799 58.100 -0.110 0.000 1.039 934 Y CB 1.159 39.571 38.460 -0.080 0.000 1.271 934 Y HN 0.433 nan 8.280 nan 0.000 0.467 935 N N 0.907 119.539 118.700 -0.113 0.000 2.094 935 N HA -0.170 4.585 4.740 0.024 0.000 0.191 935 N C 1.152 176.512 175.510 -0.250 0.000 1.023 935 N CA 2.036 54.955 53.050 -0.218 0.000 0.857 935 N CB -0.223 38.180 38.487 -0.141 0.000 1.013 935 N HN 0.765 nan 8.380 nan 0.000 0.426 936 S N 0.785 116.398 115.700 -0.145 0.000 2.743 936 S HA 0.100 4.584 4.470 0.024 0.000 0.230 936 S C 1.688 176.149 174.600 -0.232 0.000 0.950 936 S CA -0.293 57.853 58.200 -0.090 0.000 0.976 936 S CB -0.491 62.755 63.200 0.076 0.000 0.779 936 S HN 0.394 nan 8.310 nan 0.000 0.487 937 M N -1.041 118.154 119.600 -0.674 0.000 2.447 937 M HA 0.220 4.714 4.480 0.024 0.000 0.264 937 M C -0.211 175.704 176.300 -0.642 0.000 1.095 937 M CA 0.792 55.572 55.300 -0.867 0.000 1.125 937 M CB -0.615 31.091 32.600 -1.490 0.000 1.389 937 M HN 0.203 nan 8.290 nan 0.000 0.459 938 Y N 1.898 121.952 120.300 -0.410 0.000 2.883 938 Y HA 0.396 4.962 4.550 0.026 0.000 0.385 938 Y C 0.802 176.571 175.900 -0.217 0.000 1.067 938 Y CA -0.507 57.117 58.100 -0.793 0.000 1.682 938 Y CB -0.566 37.381 38.460 -0.856 0.000 1.606 938 Y HN 0.402 nan 8.280 nan 0.000 0.508 939 E N -0.248 120.024 120.200 0.122 0.000 2.414 939 E HA 0.129 4.494 4.350 0.024 0.000 0.208 939 E C -0.248 176.525 176.600 0.289 0.000 0.820 939 E CA 0.122 56.650 56.400 0.214 0.000 1.143 939 E CB 0.521 30.299 29.700 0.131 0.000 1.150 939 E HN 0.309 nan 8.360 nan 0.000 0.540 940 N N 0.673 119.559 118.700 0.309 0.000 2.577 940 N HA 0.330 5.085 4.740 0.024 0.000 0.275 940 N C -1.363 174.395 175.510 0.414 0.000 1.091 940 N CA -0.408 52.823 53.050 0.302 0.000 0.843 940 N CB 1.043 39.647 38.487 0.194 0.000 1.295 940 N HN 0.060 nan 8.380 nan 0.000 0.530 941 F N -0.919 119.091 119.950 0.101 0.000 2.877 941 F HA 0.802 5.350 4.527 0.035 0.000 0.319 941 F C -1.405 174.411 175.800 0.027 0.000 1.174 941 F CA -0.749 57.317 58.000 0.110 0.000 0.903 941 F CB 1.253 40.371 39.000 0.198 0.000 1.357 941 F HN 0.114 nan 8.300 nan 0.000 0.472 942 S N 0.049 115.515 115.700 -0.391 0.000 2.552 942 S HA 0.630 5.114 4.470 0.024 0.000 0.272 942 S C -1.494 172.943 174.600 -0.270 0.000 1.150 942 S CA -0.652 57.223 58.200 -0.541 0.000 0.849 942 S CB 1.914 64.969 63.200 -0.242 0.000 1.113 942 S HN 0.941 nan 8.310 nan 0.000 0.458 943 T N 1.215 115.522 114.554 -0.411 0.000 2.900 943 T HA 0.792 5.157 4.350 0.024 0.000 0.295 943 T C -1.218 173.375 174.700 -0.178 0.000 1.044 943 T CA -0.404 61.546 62.100 -0.249 0.000 0.995 943 T CB 1.130 69.880 68.868 -0.197 0.000 1.072 943 T HN 0.823 nan 8.240 nan 0.000 0.473 944 S N 3.065 118.709 115.700 -0.094 0.000 2.548 944 S HA 0.945 5.430 4.470 0.024 0.000 0.286 944 S C -1.115 173.582 174.600 0.162 0.000 1.098 944 S CA -0.832 57.312 58.200 -0.094 0.000 0.930 944 S CB 1.383 64.674 63.200 0.150 0.000 1.070 944 S HN 0.971 nan 8.310 nan 0.000 0.480 945 F N -2.519 117.532 119.950 0.169 0.000 2.703 945 F HA 0.766 5.307 4.527 0.023 0.000 0.308 945 F C -2.292 173.755 175.800 0.411 0.000 1.126 945 F CA -1.660 56.600 58.000 0.434 0.000 0.959 945 F CB 0.320 39.676 39.000 0.593 0.000 1.297 945 F HN 0.615 nan 8.300 nan 0.000 0.441 946 W N 3.957 125.615 121.300 0.598 0.000 2.351 946 W HA 0.732 5.406 4.660 0.023 0.000 0.311 946 W C -0.396 176.626 176.519 0.839 0.000 1.168 946 W CA -0.774 56.922 57.345 0.585 0.000 1.200 946 W CB 1.429 31.101 29.460 0.352 0.000 1.221 946 W HN 0.672 nan 8.180 nan 0.000 0.519 947 I N 2.735 123.884 120.570 0.965 0.000 2.797 947 I HA 0.570 4.754 4.170 0.024 0.000 0.307 947 I C -0.577 175.785 176.117 0.409 0.000 1.033 947 I CA -1.526 60.223 61.300 0.748 0.000 1.071 947 I CB 1.717 40.107 38.000 0.650 0.000 1.255 947 I HN 0.390 nan 8.210 nan 0.000 0.445 948 R N 6.869 127.344 120.500 -0.041 0.000 2.468 948 R HA 0.520 4.874 4.340 0.024 0.000 0.302 948 R C -1.688 174.542 176.300 -0.116 0.000 1.041 948 R CA -0.530 55.356 56.100 -0.356 0.000 0.899 948 R CB 1.109 30.656 30.300 -1.256 0.000 1.167 948 R HN 0.541 nan 8.270 nan 0.000 0.483 949 I N 6.482 127.025 120.570 -0.044 0.000 2.307 949 I HA 0.321 4.505 4.170 0.024 0.000 0.289 949 I C -1.800 174.232 176.117 -0.143 0.000 1.021 949 I CA -2.236 59.031 61.300 -0.055 0.000 1.224 949 I CB 1.432 39.459 38.000 0.045 0.000 1.376 949 I HN 0.314 nan 8.210 nan 0.000 0.470 950 P HA -0.031 nan 4.420 nan 0.000 0.269 950 P C -0.482 176.597 177.300 -0.369 0.000 1.217 950 P CA -0.429 62.505 63.100 -0.277 0.000 0.783 950 P CB 0.712 32.169 31.700 -0.406 0.000 0.898 951 K N 1.739 121.912 120.400 -0.378 0.000 2.489 951 K HA -0.006 4.329 4.320 0.024 0.000 0.278 951 K C -0.404 175.705 176.600 -0.817 0.000 1.000 951 K CA 0.135 56.075 56.287 -0.577 0.000 1.012 951 K CB -0.194 31.756 32.500 -0.917 0.000 0.903 951 K HN 0.314 nan 8.250 nan 0.000 0.485 952 Y N 3.306 123.412 120.300 -0.323 0.000 2.425 952 Y HA -0.012 4.552 4.550 0.023 0.000 0.331 952 Y C 0.663 176.431 175.900 -0.220 0.000 1.157 952 Y CA 0.181 58.210 58.100 -0.119 0.000 1.372 952 Y CB 0.438 39.005 38.460 0.177 0.000 1.253 952 Y HN 0.549 nan 8.280 nan 0.000 0.536 953 F N -0.247 119.854 119.950 0.252 0.000 2.680 953 F HA 0.190 4.731 4.527 0.024 0.000 0.290 953 F C 0.286 176.201 175.800 0.191 0.000 1.114 953 F CA -0.085 58.044 58.000 0.216 0.000 1.333 953 F CB 0.461 39.528 39.000 0.111 0.000 1.091 953 F HN 0.392 nan 8.300 nan 0.000 0.606 954 N N -0.559 118.342 118.700 0.335 0.000 2.240 954 N HA 0.123 4.878 4.740 0.024 0.000 0.302 954 N C 0.833 176.399 175.510 0.093 0.000 1.106 954 N CA 0.331 53.497 53.050 0.194 0.000 0.778 954 N CB 1.796 40.392 38.487 0.183 0.000 1.431 954 N HN -0.066 nan 8.380 nan 0.000 0.479 955 S N 0.823 116.542 115.700 0.032 0.000 2.407 955 S HA -0.194 4.290 4.470 0.024 0.000 0.235 955 S C 1.616 176.191 174.600 -0.042 0.000 1.036 955 S CA 0.869 59.048 58.200 -0.035 0.000 1.013 955 S CB -0.387 62.791 63.200 -0.036 0.000 0.820 955 S HN 0.659 nan 8.310 nan 0.000 0.476 956 I N 1.351 121.920 120.570 -0.002 0.000 2.916 956 I HA -0.060 4.125 4.170 0.024 0.000 0.267 956 I C 1.512 177.634 176.117 0.007 0.000 1.263 956 I CA 0.742 62.039 61.300 -0.004 0.000 1.471 956 I CB -0.079 37.923 38.000 0.004 0.000 1.089 956 I HN 0.255 nan 8.210 nan 0.000 0.468 957 S N 0.027 115.745 115.700 0.031 0.000 2.558 957 S HA 0.107 4.591 4.470 0.024 0.000 0.217 957 S C 1.693 176.248 174.600 -0.075 0.000 0.975 957 S CA 0.130 58.370 58.200 0.067 0.000 0.912 957 S CB 0.011 63.364 63.200 0.255 0.000 0.776 957 S HN 0.355 nan 8.310 nan 0.000 0.526 958 L N 1.590 122.701 121.223 -0.187 0.000 2.046 958 L HA -0.023 4.331 4.340 0.024 0.000 0.208 958 L C 0.376 177.132 176.870 -0.190 0.000 1.077 958 L CA 0.947 55.572 54.840 -0.359 0.000 0.747 958 L CB -0.069 41.776 42.059 -0.358 0.000 0.896 958 L HN 0.273 nan 8.230 nan 0.000 0.432 959 N N 0.377 119.015 118.700 -0.104 0.000 2.841 959 N HA 0.200 4.954 4.740 0.024 0.000 0.257 959 N C -1.156 174.346 175.510 -0.012 0.000 1.396 959 N CA -0.075 52.942 53.050 -0.055 0.000 0.823 959 N CB 0.882 39.336 38.487 -0.054 0.000 1.162 959 N HN 0.091 nan 8.380 nan 0.000 0.503 960 N N 0.761 119.474 118.700 0.023 0.000 2.697 960 N HA 0.027 4.781 4.740 0.024 0.000 0.271 960 N C -1.803 173.807 175.510 0.167 0.000 1.149 960 N CA -0.260 52.843 53.050 0.088 0.000 0.939 960 N CB 1.624 40.173 38.487 0.103 0.000 1.534 960 N HN 0.199 nan 8.380 nan 0.000 0.556 961 E N 3.018 123.289 120.200 0.117 0.000 2.175 961 E HA 0.339 4.704 4.350 0.024 0.000 0.278 961 E C -1.331 175.364 176.600 0.159 0.000 0.969 961 E CA -0.673 55.770 56.400 0.072 0.000 0.796 961 E CB 0.855 30.553 29.700 -0.003 0.000 1.104 961 E HN 0.599 nan 8.360 nan 0.000 0.395 962 Y N -0.118 120.207 120.300 0.041 0.000 2.421 962 Y HA 0.421 4.985 4.550 0.024 0.000 0.339 962 Y C -0.481 175.440 175.900 0.035 0.000 0.996 962 Y CA -1.203 56.918 58.100 0.035 0.000 1.046 962 Y CB 0.868 39.356 38.460 0.048 0.000 1.226 962 Y HN 0.127 nan 8.280 nan 0.000 0.445 963 T N 4.471 119.081 114.554 0.094 0.000 2.926 963 T HA 0.288 4.653 4.350 0.024 0.000 0.307 963 T C 1.127 175.873 174.700 0.076 0.000 1.059 963 T CA 0.268 62.381 62.100 0.022 0.000 1.122 963 T CB 0.651 69.513 68.868 -0.010 0.000 0.972 963 T HN 0.821 nan 8.240 nan 0.000 0.545 964 I N -1.481 119.101 120.570 0.020 0.000 4.706 964 I HA 0.467 4.651 4.170 0.024 0.000 0.321 964 I C -0.071 176.013 176.117 -0.053 0.000 1.249 964 I CA -0.123 61.203 61.300 0.043 0.000 1.321 964 I CB 0.493 38.542 38.000 0.083 0.000 1.342 964 I HN 0.341 nan 8.210 nan 0.000 0.463 965 I N 2.561 123.052 120.570 -0.131 0.000 2.411 965 I HA 0.360 4.545 4.170 0.024 0.000 0.284 965 I C -1.099 174.840 176.117 -0.296 0.000 1.012 965 I CA -0.337 60.758 61.300 -0.342 0.000 1.119 965 I CB 1.563 39.365 38.000 -0.331 0.000 1.261 965 I HN 0.106 nan 8.210 nan 0.000 0.448 966 N N 5.101 123.553 118.700 -0.413 0.000 2.392 966 N HA 0.414 5.169 4.740 0.024 0.000 0.283 966 N C -1.226 173.913 175.510 -0.618 0.000 1.003 966 N CA -0.305 52.500 53.050 -0.408 0.000 0.892 966 N CB 1.635 39.959 38.487 -0.272 0.000 1.193 966 N HN 0.613 nan 8.380 nan 0.000 0.487 967 C N 6.804 125.603 119.300 -0.835 0.000 3.335 967 C HA 0.548 5.023 4.460 0.024 0.000 0.217 967 C C -1.445 173.111 174.990 -0.723 0.000 1.330 967 C CA -0.551 57.834 59.018 -1.055 0.000 1.470 967 C CB -1.493 24.898 27.740 -2.248 0.000 1.806 967 C HN 0.618 nan 8.230 nan 0.000 0.468 968 M N 2.910 122.262 119.600 -0.414 0.000 2.267 968 M HA 0.474 4.968 4.480 0.024 0.000 0.289 968 M C -0.939 175.264 176.300 -0.162 0.000 1.043 968 M CA -0.016 55.130 55.300 -0.256 0.000 0.928 968 M CB 2.230 34.699 32.600 -0.219 0.000 1.613 968 M HN 0.453 nan 8.290 nan 0.000 0.450 969 E N 1.970 122.109 120.200 -0.101 0.000 2.199 969 E HA 0.274 4.638 4.350 0.024 0.000 0.265 969 E C -0.415 176.100 176.600 -0.141 0.000 0.882 969 E CA -0.597 55.751 56.400 -0.087 0.000 0.759 969 E CB 1.460 31.159 29.700 -0.002 0.000 1.148 969 E HN 0.788 nan 8.360 nan 0.000 0.412 970 N N 4.604 123.226 118.700 -0.131 0.000 2.676 970 N HA -0.325 4.429 4.740 0.024 0.000 0.290 970 N C -0.111 175.327 175.510 -0.120 0.000 1.109 970 N CA 0.789 53.763 53.050 -0.128 0.000 0.779 970 N CB -0.684 37.719 38.487 -0.139 0.000 0.947 970 N HN 0.737 nan 8.380 nan 0.000 0.566 971 N N -2.332 116.310 118.700 -0.097 0.000 2.927 971 N HA -0.260 4.494 4.740 0.024 0.000 0.220 971 N C -0.347 175.119 175.510 -0.074 0.000 0.845 971 N CA 1.676 54.678 53.050 -0.080 0.000 1.089 971 N CB -1.273 37.175 38.487 -0.066 0.000 0.994 971 N HN 0.771 nan 8.380 nan 0.000 0.616 972 S N -0.707 114.947 115.700 -0.077 0.000 2.654 972 S HA 0.710 5.194 4.470 0.024 0.000 0.283 972 S C 0.581 175.155 174.600 -0.042 0.000 1.180 972 S CA 0.539 58.719 58.200 -0.033 0.000 1.021 972 S CB 1.518 64.722 63.200 0.008 0.000 1.018 972 S HN 0.926 nan 8.310 nan 0.000 0.532 973 G N 1.645 110.435 108.800 -0.017 0.000 2.331 973 G HA2 0.032 4.007 3.960 0.024 0.000 0.479 973 G HA3 0.032 4.007 3.960 0.024 0.000 0.479 973 G C -1.318 173.527 174.900 -0.091 0.000 1.262 973 G CA -0.320 44.728 45.100 -0.087 0.000 1.029 973 G HN 0.965 nan 8.290 nan 0.000 0.487 974 W N 0.456 121.604 121.300 -0.254 0.000 2.781 974 W HA 0.839 5.512 4.660 0.022 0.000 0.345 974 W C -0.438 175.819 176.519 -0.437 0.000 1.085 974 W CA -0.844 56.252 57.345 -0.416 0.000 1.198 974 W CB 1.682 30.901 29.460 -0.401 0.000 1.423 974 W HN 1.055 nan 8.180 nan 0.000 0.532 975 K N 0.355 120.621 120.400 -0.224 0.000 2.546 975 K HA 0.626 4.961 4.320 0.024 0.000 0.264 975 K C -2.114 174.437 176.600 -0.082 0.000 0.937 975 K CA -0.876 55.332 56.287 -0.131 0.000 0.833 975 K CB 2.134 34.523 32.500 -0.186 0.000 1.378 975 K HN 0.284 nan 8.250 nan 0.000 0.432 976 V N 2.191 122.177 119.914 0.121 0.000 2.427 976 V HA 0.487 4.621 4.120 0.024 0.000 0.286 976 V C -0.300 175.843 176.094 0.081 0.000 1.034 976 V CA -0.318 62.114 62.300 0.221 0.000 0.893 976 V CB 1.092 33.108 31.823 0.322 0.000 0.982 976 V HN 0.988 nan 8.190 nan 0.000 0.452 977 S N 5.250 120.989 115.700 0.064 0.000 2.704 977 S HA 0.882 5.366 4.470 0.024 0.000 0.296 977 S C -1.094 173.441 174.600 -0.109 0.000 1.138 977 S CA -0.940 57.229 58.200 -0.052 0.000 0.875 977 S CB 1.984 65.139 63.200 -0.074 0.000 1.151 977 S HN 0.426 nan 8.310 nan 0.000 0.500 978 L N 1.192 122.191 121.223 -0.374 0.000 2.370 978 L HA 0.700 5.054 4.340 0.024 0.000 0.266 978 L C -0.649 175.972 176.870 -0.416 0.000 1.002 978 L CA -0.700 53.896 54.840 -0.407 0.000 0.818 978 L CB 2.141 43.870 42.059 -0.551 0.000 1.325 978 L HN 0.749 nan 8.230 nan 0.000 0.418 979 N N -0.200 118.401 118.700 -0.165 0.000 2.825 979 N HA 0.171 4.925 4.740 0.024 0.000 0.253 979 N C -1.237 174.054 175.510 -0.365 0.000 1.426 979 N CA -0.634 52.323 53.050 -0.156 0.000 0.851 979 N CB 1.431 39.850 38.487 -0.113 0.000 1.470 979 N HN 0.412 nan 8.380 nan 0.000 0.517 980 Y N 2.004 121.897 120.300 -0.678 0.000 2.833 980 Y HA 0.125 4.690 4.550 0.024 0.000 0.391 980 Y C 1.350 176.849 175.900 -0.669 0.000 1.389 980 Y CA 1.605 59.128 58.100 -0.961 0.000 1.817 980 Y CB -0.925 37.195 38.460 -0.567 0.000 1.258 980 Y HN 0.681 nan 8.280 nan 0.000 0.488 981 G N 4.207 112.353 108.800 -1.090 0.000 2.272 981 G HA2 -0.258 3.717 3.960 0.024 0.000 0.280 981 G HA3 -0.258 3.717 3.960 0.024 0.000 0.280 981 G C -0.246 174.090 174.900 -0.940 0.000 1.067 981 G CA 0.301 44.492 45.100 -1.516 0.000 0.902 981 G HN 0.655 nan 8.290 nan 0.000 0.500 982 E N -1.143 118.847 120.200 -0.350 0.000 2.352 982 E HA 0.552 4.916 4.350 0.024 0.000 0.280 982 E C -0.360 176.291 176.600 0.084 0.000 0.930 982 E CA -0.906 55.416 56.400 -0.130 0.000 0.765 982 E CB 1.917 31.524 29.700 -0.156 0.000 1.219 982 E HN 0.251 nan 8.360 nan 0.000 0.434 983 I N 3.656 124.315 120.570 0.149 0.000 2.433 983 I HA 0.513 4.697 4.170 0.024 0.000 0.292 983 I C -0.486 175.739 176.117 0.180 0.000 1.001 983 I CA -0.763 60.664 61.300 0.212 0.000 1.119 983 I CB 1.406 39.599 38.000 0.322 0.000 1.289 983 I HN 0.332 nan 8.210 nan 0.000 0.438 984 I N 5.186 125.858 120.570 0.170 0.000 2.499 984 I HA 0.306 4.490 4.170 0.024 0.000 0.288 984 I C -1.070 175.200 176.117 0.255 0.000 1.048 984 I CA -0.493 60.903 61.300 0.161 0.000 1.062 984 I CB 2.397 40.435 38.000 0.062 0.000 1.238 984 I HN 0.606 nan 8.210 nan 0.000 0.426 985 W N 6.666 128.005 121.300 0.064 0.000 2.478 985 W HA 0.587 5.261 4.660 0.023 0.000 0.318 985 W C -1.462 175.101 176.519 0.073 0.000 1.062 985 W CA -0.369 57.023 57.345 0.079 0.000 1.210 985 W CB 2.034 31.518 29.460 0.040 0.000 1.325 985 W HN 0.391 nan 8.180 nan 0.000 0.496 986 T N 6.814 120.975 114.554 -0.655 0.000 2.928 986 T HA 0.466 4.830 4.350 0.024 0.000 0.296 986 T C -0.445 173.938 174.700 -0.529 0.000 1.000 986 T CA -0.539 61.310 62.100 -0.417 0.000 0.989 986 T CB 1.639 70.380 68.868 -0.212 0.000 1.005 986 T HN 0.286 nan 8.240 nan 0.000 0.442 987 L N 2.608 123.679 121.223 -0.253 0.000 2.330 987 L HA 0.724 5.078 4.340 0.024 0.000 0.271 987 L C -0.190 176.665 176.870 -0.024 0.000 1.013 987 L CA -0.705 54.087 54.840 -0.080 0.000 0.816 987 L CB 1.991 44.113 42.059 0.106 0.000 1.287 987 L HN 0.566 nan 8.230 nan 0.000 0.435 988 Q N 1.384 121.187 119.800 0.006 0.000 2.364 988 Q HA 0.495 4.850 4.340 0.024 0.000 0.251 988 Q C -1.743 174.272 176.000 0.025 0.000 0.927 988 Q CA 0.016 55.821 55.803 0.004 0.000 0.924 988 Q CB 2.186 30.905 28.738 -0.032 0.000 1.419 988 Q HN 0.854 nan 8.270 nan 0.000 0.427 989 D N 0.106 120.528 120.400 0.037 0.000 2.921 989 D HA 0.320 4.975 4.640 0.024 0.000 0.329 989 D C -0.369 175.948 176.300 0.029 0.000 1.293 989 D CA 0.183 54.207 54.000 0.040 0.000 0.964 989 D CB 1.597 nan 40.800 nan 0.000 1.435 989 D HN 0.307 nan 8.370 nan 0.000 0.548 990 T N -1.212 113.360 114.554 0.030 0.000 3.332 990 T HA 0.473 4.837 4.350 0.024 0.000 0.246 990 T C 0.779 175.476 174.700 -0.004 0.000 0.943 990 T CA 2.486 64.598 62.100 0.020 0.000 0.922 990 T CB -1.215 67.676 68.868 0.039 0.000 1.086 990 T HN 1.470 nan 8.240 nan 0.000 0.590 991 Q N -2.653 117.143 119.800 -0.007 0.000 6.854 991 Q HA 0.199 4.553 4.340 0.024 0.000 0.323 991 Q C 0.222 176.218 176.000 -0.008 0.000 0.934 991 Q CA 1.026 56.822 55.803 -0.012 0.000 0.575 991 Q CB -1.377 27.355 28.738 -0.010 0.000 0.509 991 Q HN 0.754 nan 8.270 nan 0.000 0.814 992 E N -0.419 119.780 120.200 -0.001 0.000 3.552 992 E HA 0.892 5.257 4.350 0.024 0.000 0.264 992 E C 0.668 177.265 176.600 -0.004 0.000 1.170 992 E CA -0.243 56.157 56.400 0.000 0.000 1.313 992 E CB 0.347 nan 29.700 nan 0.000 1.522 992 E HN 1.504 nan 8.360 nan 0.000 0.653 993 I N -0.004 120.565 120.570 -0.001 0.000 5.950 993 I HA -0.123 4.061 4.170 0.024 0.000 0.126 993 I C -0.837 175.287 176.117 0.011 0.000 1.819 993 I CA -0.207 61.099 61.300 0.009 0.000 2.037 993 I CB -1.074 36.935 38.000 0.015 0.000 3.415 993 I HN 0.540 nan 8.210 nan 0.000 0.169 994 K N 3.208 123.612 120.400 0.006 0.000 2.123 994 K HA 0.829 5.163 4.320 0.024 0.000 0.248 994 K C -0.298 176.315 176.600 0.021 0.000 0.969 994 K CA -0.870 55.420 56.287 0.005 0.000 0.882 994 K CB 1.768 34.260 32.500 -0.013 0.000 1.080 994 K HN 0.179 nan 8.250 nan 0.000 0.441 995 Q N 1.212 121.032 119.800 0.034 0.000 2.552 995 Q HA 0.535 4.889 4.340 0.024 0.000 0.289 995 Q C -1.594 174.440 176.000 0.055 0.000 1.097 995 Q CA -0.890 54.945 55.803 0.052 0.000 0.812 995 Q CB 2.041 30.828 28.738 0.081 0.000 1.460 995 Q HN 0.567 nan 8.270 nan 0.000 0.452 996 R N 0.518 121.068 120.500 0.084 0.000 2.647 996 R HA 0.506 4.860 4.340 0.024 0.000 0.260 996 R C -1.677 174.693 176.300 0.116 0.000 1.154 996 R CA -0.345 55.807 56.100 0.088 0.000 1.029 996 R CB 0.867 31.189 30.300 0.035 0.000 1.262 996 R HN 0.548 nan 8.270 nan 0.000 0.437 997 V N 0.628 120.652 119.914 0.183 0.000 2.815 997 V HA 0.853 4.987 4.120 0.024 0.000 0.314 997 V C -0.640 175.528 176.094 0.123 0.000 1.064 997 V CA -0.726 61.651 62.300 0.129 0.000 0.952 997 V CB 2.115 33.998 31.823 0.100 0.000 1.020 997 V HN 0.369 nan 8.190 nan 0.000 0.439 998 V N 3.480 123.439 119.914 0.076 0.000 2.638 998 V HA 0.475 4.609 4.120 0.024 0.000 0.306 998 V C -0.924 175.242 176.094 0.119 0.000 1.052 998 V CA -0.320 62.028 62.300 0.080 0.000 0.885 998 V CB 1.771 33.609 31.823 0.026 0.000 0.999 998 V HN 0.874 nan 8.190 nan 0.000 0.424 999 F N 5.070 124.999 119.950 -0.034 0.000 2.410 999 F HA 0.638 5.179 4.527 0.023 0.000 0.349 999 F C -0.070 175.716 175.800 -0.023 0.000 1.117 999 F CA -0.706 57.254 58.000 -0.067 0.000 1.104 999 F CB 0.926 39.862 39.000 -0.106 0.000 1.122 999 F HN 0.425 nan 8.300 nan 0.000 0.483 1000 K N 6.333 126.421 120.400 -0.520 0.000 2.270 1000 K HA 0.489 4.824 4.320 0.024 0.000 0.255 1000 K C -1.884 174.279 176.600 -0.728 0.000 0.936 1000 K CA -0.759 55.189 56.287 -0.565 0.000 0.809 1000 K CB 1.893 34.227 32.500 -0.276 0.000 1.131 1000 K HN 0.736 nan 8.250 nan 0.000 0.427 1001 Y N -1.196 118.667 120.300 -0.729 0.000 2.552 1001 Y HA 0.460 5.024 4.550 0.023 0.000 0.337 1001 Y C -0.979 174.749 175.900 -0.287 0.000 1.094 1001 Y CA -1.020 56.768 58.100 -0.520 0.000 1.028 1001 Y CB 1.426 39.481 38.460 -0.674 0.000 1.321 1001 Y HN 0.368 nan 8.280 nan 0.000 0.456 1002 S N 1.006 116.663 115.700 -0.072 0.000 2.646 1002 S HA 0.318 4.803 4.470 0.024 0.000 0.276 1002 S C 0.114 174.713 174.600 -0.002 0.000 1.222 1002 S CA -0.540 57.592 58.200 -0.114 0.000 1.014 1002 S CB 1.354 64.553 63.200 -0.002 0.000 0.991 1002 S HN 0.883 nan 8.310 nan 0.000 0.533 1003 Q N 1.177 120.952 119.800 -0.041 0.000 2.217 1003 Q HA 0.240 4.594 4.340 0.024 0.000 0.217 1003 Q C -0.751 175.349 176.000 0.167 0.000 0.844 1003 Q CA 0.108 55.969 55.803 0.098 0.000 0.957 1003 Q CB 0.426 29.215 28.738 0.085 0.000 1.127 1003 Q HN 0.578 nan 8.270 nan 0.000 0.503 1004 M N 1.507 121.182 119.600 0.124 0.000 2.103 1004 M HA 0.486 4.981 4.480 0.024 0.000 0.350 1004 M C -0.620 175.752 176.300 0.120 0.000 1.100 1004 M CA -0.074 55.300 55.300 0.124 0.000 1.042 1004 M CB 0.539 33.192 32.600 0.088 0.000 1.368 1004 M HN 0.060 nan 8.290 nan 0.000 0.404 1005 I N 1.941 122.601 120.570 0.150 0.000 2.624 1005 I HA 0.158 4.342 4.170 0.024 0.000 0.296 1005 I C 0.002 176.220 176.117 0.168 0.000 1.792 1005 I CA -0.239 61.148 61.300 0.145 0.000 0.970 1005 I CB 1.842 39.937 38.000 0.159 0.000 1.502 1005 I HN 0.574 nan 8.210 nan 0.000 0.549 1006 N N 5.380 124.158 118.700 0.131 0.000 2.022 1006 N HA 0.049 4.803 4.740 0.024 0.000 0.194 1006 N C 0.034 175.627 175.510 0.138 0.000 1.057 1006 N CA 1.464 54.588 53.050 0.123 0.000 0.849 1006 N CB 0.127 38.660 38.487 0.076 0.000 1.044 1006 N HN 0.385 nan 8.380 nan 0.000 0.424 1007 I N 0.428 121.063 120.570 0.109 0.000 2.418 1007 I HA 0.124 4.309 4.170 0.024 0.000 0.287 1007 I C -0.369 175.823 176.117 0.126 0.000 1.008 1007 I CA -0.419 60.949 61.300 0.113 0.000 1.104 1007 I CB 2.179 40.223 38.000 0.073 0.000 1.264 1007 I HN -0.051 nan 8.210 nan 0.000 0.438 1008 S N 3.294 119.092 115.700 0.164 0.000 2.508 1008 S HA 0.211 4.696 4.470 0.024 0.000 0.284 1008 S C 0.660 175.230 174.600 -0.049 0.000 1.192 1008 S CA -0.566 57.712 58.200 0.130 0.000 1.070 1008 S CB 1.020 64.379 63.200 0.264 0.000 1.004 1008 S HN 0.561 nan 8.310 nan 0.000 0.493 1009 D N 2.724 122.972 120.400 -0.254 0.000 2.264 1009 D HA -0.025 4.630 4.640 0.024 0.000 0.208 1009 D C 0.622 176.558 176.300 -0.605 0.000 0.966 1009 D CA 1.572 55.224 54.000 -0.579 0.000 0.864 1009 D CB 0.055 40.266 40.800 -0.981 0.000 0.933 1009 D HN 0.740 nan 8.370 nan 0.000 0.499 1010 Y N -0.427 119.879 120.300 0.010 0.000 2.581 1010 Y HA 0.305 4.869 4.550 0.024 0.000 0.271 1010 Y C 1.061 176.915 175.900 -0.076 0.000 1.100 1010 Y CA -0.512 57.534 58.100 -0.091 0.000 1.281 1010 Y CB 0.427 38.711 38.460 -0.294 0.000 1.237 1010 Y HN -0.233 nan 8.280 nan 0.000 0.514 1011 I N 2.751 123.453 120.570 0.220 0.000 2.581 1011 I HA -0.122 4.062 4.170 0.024 0.000 0.285 1011 I C 0.649 176.951 176.117 0.309 0.000 1.129 1011 I CA 0.598 62.080 61.300 0.303 0.000 1.397 1011 I CB -0.023 38.251 38.000 0.457 0.000 1.399 1011 I HN 0.430 nan 8.210 nan 0.000 0.537 1012 N N 4.113 122.914 118.700 0.168 0.000 2.753 1012 N HA -0.223 4.531 4.740 0.024 0.000 0.251 1012 N C -0.387 175.214 175.510 0.152 0.000 1.097 1012 N CA 1.199 54.295 53.050 0.076 0.000 0.786 1012 N CB -0.395 38.092 38.487 -0.000 0.000 1.137 1012 N HN 0.606 nan 8.380 nan 0.000 0.566 1013 R N -0.898 119.697 120.500 0.158 0.000 2.604 1013 R HA 0.325 4.680 4.340 0.024 0.000 0.287 1013 R C -0.586 175.790 176.300 0.127 0.000 0.970 1013 R CA -0.680 55.504 56.100 0.139 0.000 0.946 1013 R CB 0.629 30.929 30.300 0.001 0.000 1.127 1013 R HN 0.165 nan 8.270 nan 0.000 0.473 1014 W N 4.829 126.242 121.300 0.188 0.000 2.489 1014 W HA 0.109 4.783 4.660 0.023 0.000 0.327 1014 W C 0.467 177.209 176.519 0.372 0.000 1.436 1014 W CA -0.164 57.349 57.345 0.280 0.000 1.315 1014 W CB 0.356 29.952 29.460 0.227 0.000 1.373 1014 W HN 0.348 nan 8.180 nan 0.000 0.557 1015 I N 2.252 123.204 120.570 0.637 0.000 2.646 1015 I HA 0.538 4.722 4.170 0.024 0.000 0.299 1015 I C -1.513 174.747 176.117 0.238 0.000 1.036 1015 I CA -1.300 60.239 61.300 0.397 0.000 1.074 1015 I CB 1.913 40.055 38.000 0.236 0.000 1.258 1015 I HN 0.196 nan 8.210 nan 0.000 0.430 1016 F N 6.210 125.935 119.950 -0.376 0.000 2.334 1016 F HA 0.580 5.121 4.527 0.024 0.000 0.367 1016 F C -0.814 174.576 175.800 -0.683 0.000 1.115 1016 F CA -0.722 56.707 58.000 -0.952 0.000 1.116 1016 F CB 0.955 38.932 39.000 -1.705 0.000 1.230 1016 F HN 0.277 nan 8.300 nan 0.000 0.484 1017 V N 5.092 124.319 119.914 -1.145 0.000 2.546 1017 V HA 0.447 4.581 4.120 0.024 0.000 0.284 1017 V C -0.038 175.207 176.094 -1.415 0.000 1.050 1017 V CA -0.235 61.358 62.300 -1.178 0.000 0.981 1017 V CB 1.352 32.417 31.823 -1.263 0.000 0.990 1017 V HN 0.831 nan 8.190 nan 0.000 0.474 1018 T N 5.605 119.550 114.554 -1.015 0.000 2.928 1018 T HA 0.593 4.957 4.350 0.024 0.000 0.296 1018 T C -0.790 173.607 174.700 -0.505 0.000 1.000 1018 T CA -0.371 61.276 62.100 -0.755 0.000 0.989 1018 T CB 1.290 69.714 68.868 -0.741 0.000 1.005 1018 T HN 0.313 nan 8.240 nan 0.000 0.442 1019 I N 3.691 123.923 120.570 -0.564 0.000 2.433 1019 I HA 0.512 4.697 4.170 0.024 0.000 0.292 1019 I C 0.634 176.338 176.117 -0.688 0.000 1.001 1019 I CA -0.750 60.115 61.300 -0.726 0.000 1.119 1019 I CB 1.478 38.678 38.000 -1.335 0.000 1.289 1019 I HN 0.791 nan 8.210 nan 0.000 0.438 1020 T N 3.390 117.638 114.554 -0.510 0.000 2.885 1020 T HA 0.668 5.032 4.350 0.024 0.000 0.285 1020 T C -0.400 174.080 174.700 -0.366 0.000 1.019 1020 T CA -0.876 60.982 62.100 -0.403 0.000 1.010 1020 T CB 2.539 71.292 68.868 -0.191 0.000 1.022 1020 T HN 0.596 nan 8.240 nan 0.000 0.466 1021 N N 1.557 120.093 118.700 -0.273 0.000 2.647 1021 N HA 0.515 5.269 4.740 0.024 0.000 0.266 1021 N C -1.688 173.854 175.510 0.054 0.000 1.373 1021 N CA -0.822 52.191 53.050 -0.062 0.000 0.807 1021 N CB 2.163 40.696 38.487 0.077 0.000 1.513 1021 N HN 0.691 nan 8.380 nan 0.000 0.505 1022 N N 0.502 119.267 118.700 0.109 0.000 2.905 1022 N HA 0.116 4.871 4.740 0.024 0.000 0.255 1022 N C 0.129 175.710 175.510 0.117 0.000 1.199 1022 N CA -0.302 52.811 53.050 0.105 0.000 0.911 1022 N CB 1.375 39.896 38.487 0.056 0.000 1.550 1022 N HN 0.449 nan 8.380 nan 0.000 0.599 1023 R N 2.532 123.115 120.500 0.137 0.000 2.133 1023 R HA 0.002 4.357 4.340 0.024 0.000 0.247 1023 R C 0.765 177.121 176.300 0.094 0.000 1.151 1023 R CA 1.835 58.011 56.100 0.126 0.000 0.971 1023 R CB -0.428 29.944 30.300 0.121 0.000 0.866 1023 R HN 0.691 nan 8.270 nan 0.000 0.447 1024 L N -0.864 120.406 121.223 0.078 0.000 2.653 1024 L HA 0.349 4.704 4.340 0.024 0.000 0.231 1024 L C 0.431 177.332 176.870 0.052 0.000 1.153 1024 L CA -0.021 54.856 54.840 0.061 0.000 0.933 1024 L CB 0.001 42.092 42.059 0.054 0.000 1.175 1024 L HN 0.067 nan 8.230 nan 0.000 0.473 1025 N N -0.503 118.231 118.700 0.056 0.000 2.506 1025 N HA 0.330 5.084 4.740 0.024 0.000 0.134 1025 N C -0.975 174.562 175.510 0.044 0.000 1.826 1025 N CA -0.545 52.530 53.050 0.042 0.000 1.300 1025 N CB 0.568 39.074 38.487 0.032 0.000 0.947 1025 N HN 0.168 nan 8.380 nan 0.000 0.489 1026 N N -1.105 117.618 118.700 0.038 0.000 2.405 1026 N HA 0.392 5.147 4.740 0.024 0.000 0.274 1026 N C -1.887 173.638 175.510 0.026 0.000 1.170 1026 N CA -0.627 52.443 53.050 0.033 0.000 0.848 1026 N CB 1.729 40.220 38.487 0.005 0.000 1.629 1026 N HN 0.060 nan 8.380 nan 0.000 0.481 1027 S N 0.665 116.396 115.700 0.052 0.000 2.531 1027 S HA 0.271 4.756 4.470 0.024 0.000 0.279 1027 S C -0.173 174.378 174.600 -0.083 0.000 1.305 1027 S CA -0.336 57.868 58.200 0.006 0.000 1.058 1027 S CB 0.087 63.387 63.200 0.166 0.000 0.899 1027 S HN 0.367 nan 8.310 nan 0.000 0.493 1028 K N 1.903 122.194 120.400 -0.182 0.000 2.259 1028 K HA 0.608 4.942 4.320 0.024 0.000 0.249 1028 K C -0.848 175.550 176.600 -0.337 0.000 0.942 1028 K CA -0.521 55.612 56.287 -0.258 0.000 0.816 1028 K CB 2.107 34.453 32.500 -0.257 0.000 1.155 1028 K HN 0.522 nan 8.250 nan 0.000 0.428 1029 I N 2.475 122.814 120.570 -0.385 0.000 2.465 1029 I HA 0.388 4.572 4.170 0.024 0.000 0.291 1029 I C -1.615 174.213 176.117 -0.481 0.000 1.014 1029 I CA -0.805 60.280 61.300 -0.359 0.000 1.093 1029 I CB 0.853 38.716 38.000 -0.228 0.000 1.267 1029 I HN 0.579 nan 8.210 nan 0.000 0.431 1030 Y N 7.103 127.143 120.300 -0.433 0.000 2.393 1030 Y HA 0.529 5.093 4.550 0.023 0.000 0.341 1030 Y C -0.263 175.267 175.900 -0.618 0.000 0.988 1030 Y CA -0.896 56.921 58.100 -0.472 0.000 1.078 1030 Y CB 1.818 40.000 38.460 -0.464 0.000 1.203 1030 Y HN 0.241 nan 8.280 nan 0.000 0.453 1031 I N 4.007 124.289 120.570 -0.480 0.000 2.382 1031 I HA 0.191 4.375 4.170 0.024 0.000 0.286 1031 I C -0.073 175.752 176.117 -0.486 0.000 1.002 1031 I CA -0.998 59.930 61.300 -0.619 0.000 1.135 1031 I CB 1.076 38.492 38.000 -0.974 0.000 1.288 1031 I HN 0.771 nan 8.210 nan 0.000 0.448 1032 N N 4.931 123.313 118.700 -0.530 0.000 2.696 1032 N HA -0.222 4.532 4.740 0.024 0.000 0.249 1032 N C 1.071 176.028 175.510 -0.922 0.000 1.090 1032 N CA 1.248 53.849 53.050 -0.748 0.000 0.716 1032 N CB -0.863 37.344 38.487 -0.466 0.000 1.020 1032 N HN 1.140 nan 8.380 nan 0.000 0.548 1033 G N -0.594 107.883 108.800 -0.538 0.000 2.137 1033 G HA2 -0.348 3.626 3.960 0.024 0.000 0.237 1033 G HA3 -0.348 3.626 3.960 0.024 0.000 0.237 1033 G C -0.034 174.772 174.900 -0.156 0.000 1.002 1033 G CA 0.500 45.400 45.100 -0.333 0.000 0.702 1033 G HN 0.654 nan 8.290 nan 0.000 0.515 1034 R N -0.398 120.016 120.500 -0.142 0.000 2.437 1034 R HA 0.625 4.979 4.340 0.024 0.000 0.310 1034 R C -0.010 176.230 176.300 -0.100 0.000 0.955 1034 R CA -1.039 55.014 56.100 -0.078 0.000 0.851 1034 R CB 0.800 31.028 30.300 -0.120 0.000 1.161 1034 R HN 0.211 nan 8.270 nan 0.000 0.446 1035 L N 5.767 126.908 121.223 -0.135 0.000 2.410 1035 L HA 0.083 4.437 4.340 0.024 0.000 0.273 1035 L C 0.212 176.862 176.870 -0.366 0.000 1.152 1035 L CA 0.509 55.029 54.840 -0.533 0.000 0.855 1035 L CB 0.666 42.405 42.059 -0.534 0.000 1.129 1035 L HN 0.733 nan 8.230 nan 0.000 0.463 1036 I N 2.114 122.437 120.570 -0.411 0.000 3.578 1036 I HA 0.278 4.463 4.170 0.024 0.000 0.238 1036 I C 0.165 176.176 176.117 -0.177 0.000 1.080 1036 I CA 0.443 61.604 61.300 -0.231 0.000 1.538 1036 I CB -0.677 37.201 38.000 -0.204 0.000 1.477 1036 I HN 0.630 nan 8.210 nan 0.000 0.464 1037 D N 0.278 120.562 120.400 -0.193 0.000 2.738 1037 D HA 0.512 5.166 4.640 0.024 0.000 0.237 1037 D C -1.134 175.071 176.300 -0.158 0.000 1.123 1037 D CA -0.291 53.634 54.000 -0.125 0.000 0.856 1037 D CB 1.610 42.379 40.800 -0.052 0.000 1.552 1037 D HN 0.256 nan 8.370 nan 0.000 0.480 1038 Q N 1.357 121.089 119.800 -0.112 0.000 2.379 1038 Q HA 0.678 5.032 4.340 0.024 0.000 0.278 1038 Q C -1.349 174.626 176.000 -0.041 0.000 1.068 1038 Q CA -1.148 54.597 55.803 -0.096 0.000 0.816 1038 Q CB 2.539 31.204 28.738 -0.122 0.000 1.387 1038 Q HN 0.028 nan 8.270 nan 0.000 0.413 1039 K N 1.198 121.591 120.400 -0.011 0.000 2.527 1039 K HA 0.509 4.843 4.320 0.024 0.000 0.260 1039 K C -2.915 173.702 176.600 0.028 0.000 0.937 1039 K CA -1.996 54.299 56.287 0.013 0.000 0.826 1039 K CB 2.224 34.744 32.500 0.032 0.000 1.359 1039 K HN 0.550 nan 8.250 nan 0.000 0.434 1040 P HA 0.209 nan 4.420 nan 0.000 0.271 1040 P C 0.538 177.872 177.300 0.056 0.000 1.226 1040 P CA -0.140 62.983 63.100 0.037 0.000 0.765 1040 P CB 0.198 31.916 31.700 0.029 0.000 0.835 1041 I N 0.414 121.027 120.570 0.072 0.000 4.018 1041 I HA 0.036 4.221 4.170 0.024 0.000 0.337 1041 I C 1.363 177.531 176.117 0.084 0.000 1.327 1041 I CA -0.064 61.292 61.300 0.094 0.000 1.100 1041 I CB -0.337 37.746 38.000 0.138 0.000 1.025 1041 I HN 0.053 nan 8.210 nan 0.000 0.396 1042 S N 0.925 116.665 115.700 0.067 0.000 2.442 1042 S HA -0.119 4.365 4.470 0.024 0.000 0.236 1042 S C 1.628 176.260 174.600 0.055 0.000 1.007 1042 S CA 0.999 59.235 58.200 0.060 0.000 0.965 1042 S CB -0.817 62.413 63.200 0.049 0.000 0.773 1042 S HN 0.538 nan 8.310 nan 0.000 0.504 1043 N N 1.122 119.853 118.700 0.051 0.000 2.272 1043 N HA 0.025 4.780 4.740 0.024 0.000 0.185 1043 N C 0.495 176.033 175.510 0.047 0.000 1.014 1043 N CA 0.805 53.881 53.050 0.044 0.000 0.870 1043 N CB -0.410 38.100 38.487 0.039 0.000 0.975 1043 N HN 0.335 nan 8.380 nan 0.000 0.433 1044 L N -1.688 119.570 121.223 0.058 0.000 2.902 1044 L HA 0.415 4.769 4.340 0.024 0.000 0.229 1044 L C 1.869 178.777 176.870 0.064 0.000 1.324 1044 L CA 0.001 54.877 54.840 0.060 0.000 1.230 1044 L CB -0.184 41.918 42.059 0.073 0.000 2.134 1044 L HN -0.055 nan 8.230 nan 0.000 0.567 1045 G N -1.800 107.042 108.800 0.070 0.000 2.598 1045 G HA2 0.222 4.196 3.960 0.024 0.000 0.225 1045 G HA3 0.222 4.196 3.960 0.024 0.000 0.225 1045 G C 0.214 175.148 174.900 0.056 0.000 1.631 1045 G CA 0.576 45.718 45.100 0.071 0.000 0.821 1045 G HN 0.700 nan 8.290 nan 0.000 0.610 1046 N N -0.854 117.881 118.700 0.059 0.000 2.413 1046 N HA 0.640 5.394 4.740 0.024 0.000 0.266 1046 N C 0.075 175.637 175.510 0.087 0.000 1.238 1046 N CA 0.008 53.102 53.050 0.072 0.000 0.972 1046 N CB 0.276 38.799 38.487 0.061 0.000 1.210 1046 N HN 0.966 nan 8.380 nan 0.000 0.547 1047 I N -0.716 119.913 120.570 0.099 0.000 2.566 1047 I HA 0.632 4.816 4.170 0.024 0.000 0.303 1047 I C 0.177 176.368 176.117 0.124 0.000 0.983 1047 I CA -0.819 60.557 61.300 0.127 0.000 1.235 1047 I CB 0.682 38.784 38.000 0.170 0.000 1.386 1047 I HN 0.988 nan 8.210 nan 0.000 0.494 1048 H N 4.118 123.219 119.070 0.051 0.000 2.597 1048 H HA 0.689 5.245 4.556 0.000 0.000 0.303 1048 H C 0.439 175.805 175.328 0.062 0.000 1.057 1048 H CA -0.001 56.064 56.048 0.028 0.000 1.261 1048 H CB 1.132 30.894 29.762 -0.000 0.000 1.397 1048 H HN 1.120 nan 8.280 nan 0.000 0.461 1049 A N 4.592 127.300 122.820 -0.187 0.000 2.505 1049 A HA 0.143 4.478 4.320 0.024 0.000 0.271 1049 A C 0.487 178.070 177.584 -0.002 0.000 1.112 1049 A CA 0.340 52.329 52.037 -0.080 0.000 0.781 1049 A CB -0.388 18.394 19.000 -0.363 0.000 1.059 1049 A HN 0.650 nan 8.150 nan 0.000 0.508 1050 S N 2.177 117.978 115.700 0.169 0.000 2.545 1050 S HA 0.124 4.609 4.470 0.024 0.000 0.275 1050 S C 1.279 175.921 174.600 0.069 0.000 1.299 1050 S CA -0.653 57.589 58.200 0.070 0.000 1.048 1050 S CB 0.474 63.627 63.200 -0.078 0.000 0.938 1050 S HN 0.744 nan 8.310 nan 0.000 0.496 1051 N N 3.469 122.191 118.700 0.037 0.000 2.381 1051 N HA 0.006 4.761 4.740 0.024 0.000 0.182 1051 N C -0.636 174.897 175.510 0.038 0.000 1.025 1051 N CA 0.797 53.872 53.050 0.041 0.000 0.888 1051 N CB -0.374 38.133 38.487 0.033 0.000 0.965 1051 N HN 0.580 nan 8.380 nan 0.000 0.438 1052 N N -0.373 118.317 118.700 -0.018 0.000 2.372 1052 N HA 0.389 5.143 4.740 0.024 0.000 0.285 1052 N C -1.105 174.309 175.510 -0.161 0.000 1.008 1052 N CA -0.307 52.709 53.050 -0.057 0.000 0.880 1052 N CB 1.847 40.292 38.487 -0.070 0.000 1.239 1052 N HN -0.011 nan 8.380 nan 0.000 0.484 1053 I N 1.969 122.457 120.570 -0.137 0.000 2.390 1053 I HA 0.345 4.530 4.170 0.024 0.000 0.283 1053 I C -0.600 175.312 176.117 -0.341 0.000 1.016 1053 I CA -0.647 60.460 61.300 -0.321 0.000 1.151 1053 I CB 1.097 38.961 38.000 -0.228 0.000 1.293 1053 I HN 0.322 nan 8.210 nan 0.000 0.458 1054 M N 7.786 127.133 119.600 -0.422 0.000 2.101 1054 M HA 0.498 4.992 4.480 0.024 0.000 0.340 1054 M C -1.604 174.486 176.300 -0.350 0.000 1.057 1054 M CA 0.036 55.188 55.300 -0.247 0.000 0.984 1054 M CB 0.555 33.061 32.600 -0.157 0.000 1.560 1054 M HN 0.235 nan 8.290 nan 0.000 0.435 1055 F N 5.183 125.065 119.950 -0.112 0.000 2.391 1055 F HA 0.624 5.166 4.527 0.025 0.000 0.359 1055 F C 0.105 175.866 175.800 -0.065 0.000 1.122 1055 F CA -0.278 57.657 58.000 -0.109 0.000 1.120 1055 F CB 0.714 39.638 39.000 -0.126 0.000 1.142 1055 F HN 0.532 nan 8.300 nan 0.000 0.483 1056 K N 3.314 123.764 120.400 0.083 0.000 2.598 1056 K HA 0.423 4.758 4.320 0.024 0.000 0.271 1056 K C -1.843 174.797 176.600 0.068 0.000 0.947 1056 K CA -0.731 55.590 56.287 0.057 0.000 0.854 1056 K CB 1.509 34.023 32.500 0.024 0.000 1.401 1056 K HN 0.585 nan 8.250 nan 0.000 0.415 1057 L N 3.378 124.645 121.223 0.074 0.000 2.363 1057 L HA 0.206 4.560 4.340 0.024 0.000 0.286 1057 L C -0.352 176.563 176.870 0.074 0.000 1.106 1057 L CA -0.257 54.646 54.840 0.106 0.000 0.859 1057 L CB 0.486 42.573 42.059 0.046 0.000 1.223 1057 L HN 0.501 nan 8.230 nan 0.000 0.446 1058 D N 3.174 123.635 120.400 0.102 0.000 2.427 1058 D HA 0.383 5.038 4.640 0.024 0.000 0.226 1058 D C 0.868 177.226 176.300 0.097 0.000 1.076 1058 D CA 0.324 54.361 54.000 0.061 0.000 0.849 1058 D CB 1.543 42.358 40.800 0.025 0.000 1.052 1058 D HN 0.719 nan 8.370 nan 0.000 0.515 1059 G N 3.139 111.972 108.800 0.055 0.000 2.159 1059 G HA2 -0.232 3.742 3.960 0.024 0.000 0.227 1059 G HA3 -0.232 3.742 3.960 0.024 0.000 0.227 1059 G C 0.579 175.500 174.900 0.036 0.000 0.986 1059 G CA -0.036 45.097 45.100 0.054 0.000 0.651 1059 G HN 0.669 nan 8.290 nan 0.000 0.523 1060 C N 1.889 121.153 119.300 -0.060 0.000 2.566 1060 C HA 0.582 5.057 4.460 0.024 0.000 0.393 1060 C C 1.714 176.610 174.990 -0.157 0.000 1.309 1060 C CA -0.309 58.546 59.018 -0.270 0.000 1.801 1060 C CB -0.540 26.789 27.740 -0.685 0.000 2.493 1060 C HN 0.454 nan 8.230 nan 0.000 0.575 1061 R N 2.802 123.242 120.500 -0.100 0.000 2.568 1061 R HA 0.137 4.491 4.340 0.024 0.000 0.288 1061 R C -0.457 175.801 176.300 -0.070 0.000 1.077 1061 R CA -0.045 56.016 56.100 -0.064 0.000 1.102 1061 R CB -0.127 30.157 30.300 -0.026 0.000 1.278 1061 R HN 0.671 nan 8.270 nan 0.000 0.560 1062 D N 0.017 120.355 120.400 -0.104 0.000 2.464 1062 D HA 0.101 4.755 4.640 0.024 0.000 0.243 1062 D C 0.772 176.985 176.300 -0.145 0.000 1.104 1062 D CA -0.283 53.666 54.000 -0.085 0.000 0.883 1062 D CB 1.232 42.025 40.800 -0.012 0.000 1.050 1062 D HN -0.129 nan 8.370 nan 0.000 0.524 1063 T N 2.030 116.438 114.554 -0.244 0.000 2.701 1063 T HA -0.250 4.114 4.350 0.024 0.000 0.265 1063 T C 1.229 175.763 174.700 -0.278 0.000 1.032 1063 T CA 1.566 63.460 62.100 -0.343 0.000 1.158 1063 T CB -0.244 68.276 68.868 -0.579 0.000 0.854 1063 T HN 0.544 nan 8.240 nan 0.000 0.463 1064 H N -0.191 118.901 119.070 0.038 0.000 2.563 1064 H HA 0.299 4.869 4.556 0.024 0.000 0.264 1064 H C 1.459 176.874 175.328 0.145 0.000 0.957 1064 H CA 0.033 56.130 56.048 0.082 0.000 1.173 1064 H CB -0.022 29.768 29.762 0.047 0.000 1.420 1064 H HN 0.290 nan 8.280 nan 0.000 0.551 1065 R N 0.768 121.346 120.500 0.129 0.000 2.738 1065 R HA 0.197 4.552 4.340 0.024 0.000 0.268 1065 R C -0.850 175.509 176.300 0.098 0.000 1.062 1065 R CA 0.012 56.131 56.100 0.031 0.000 1.158 1065 R CB 0.395 30.628 30.300 -0.112 0.000 1.046 1065 R HN 0.132 nan 8.270 nan 0.000 0.493 1066 Y N 0.419 120.675 120.300 -0.073 0.000 2.662 1066 Y HA 0.467 5.031 4.550 0.023 0.000 0.334 1066 Y C -1.552 174.226 175.900 -0.203 0.000 1.185 1066 Y CA -1.587 56.384 58.100 -0.215 0.000 1.074 1066 Y CB 0.671 38.867 38.460 -0.439 0.000 1.330 1066 Y HN 0.547 nan 8.280 nan 0.000 0.458 1067 I N -1.498 119.025 120.570 -0.079 0.000 2.934 1067 I HA 0.811 4.995 4.170 0.024 0.000 0.306 1067 I C -1.798 174.252 176.117 -0.111 0.000 1.110 1067 I CA -1.186 60.080 61.300 -0.056 0.000 1.019 1067 I CB 2.214 40.236 38.000 0.036 0.000 1.227 1067 I HN 0.655 nan 8.210 nan 0.000 0.434 1068 W N 4.588 125.874 121.300 -0.023 0.000 2.512 1068 W HA 0.796 5.471 4.660 0.024 0.000 0.335 1068 W C -0.616 175.969 176.519 0.111 0.000 1.088 1068 W CA -0.461 56.865 57.345 -0.032 0.000 1.236 1068 W CB 1.778 31.100 29.460 -0.229 0.000 1.307 1068 W HN 0.490 nan 8.180 nan 0.000 0.567 1069 I N 2.605 123.537 120.570 0.603 0.000 2.841 1069 I HA 0.469 4.654 4.170 0.024 0.000 0.298 1069 I C -1.220 175.229 176.117 0.555 0.000 1.304 1069 I CA -0.735 60.918 61.300 0.588 0.000 1.019 1069 I CB 1.581 39.762 38.000 0.303 0.000 1.282 1069 I HN 0.540 nan 8.210 nan 0.000 0.432 1070 K N 4.090 124.772 120.400 0.470 0.000 2.579 1070 K HA 0.422 4.756 4.320 0.024 0.000 0.284 1070 K C -1.507 175.219 176.600 0.209 0.000 0.990 1070 K CA -0.767 55.560 56.287 0.068 0.000 0.880 1070 K CB 0.845 33.004 32.500 -0.568 0.000 1.488 1070 K HN 0.391 nan 8.250 nan 0.000 0.425 1071 Y N -0.404 120.060 120.300 0.273 0.000 2.986 1071 Y HA -0.229 4.335 4.550 0.023 0.000 0.200 1071 Y C -0.467 175.687 175.900 0.422 0.000 1.324 1071 Y CA 0.196 58.471 58.100 0.292 0.000 0.825 1071 Y CB -2.074 36.536 38.460 0.249 0.000 1.251 1071 Y HN 0.555 nan 8.280 nan 0.000 0.413 1072 F N 2.362 122.544 119.950 0.387 0.000 2.443 1072 F HA 0.517 5.057 4.527 0.022 0.000 0.353 1072 F C 0.327 176.300 175.800 0.288 0.000 1.101 1072 F CA -0.667 57.571 58.000 0.396 0.000 1.226 1072 F CB 0.633 39.827 39.000 0.322 0.000 1.140 1072 F HN 0.330 nan 8.300 nan 0.000 0.557 1073 N N 3.907 122.044 118.700 -0.938 0.000 2.357 1073 N HA 0.672 5.426 4.740 0.024 0.000 0.284 1073 N C -2.242 172.625 175.510 -1.072 0.000 1.236 1073 N CA -0.710 51.850 53.050 -0.818 0.000 0.774 1073 N CB 1.971 40.131 38.487 -0.545 0.000 1.534 1073 N HN 0.525 nan 8.380 nan 0.000 0.478 1074 L N 1.788 122.484 121.223 -0.878 0.000 2.470 1074 L HA 0.614 4.968 4.340 0.024 0.000 0.268 1074 L C -1.983 174.524 176.870 -0.605 0.000 0.964 1074 L CA -0.377 54.160 54.840 -0.505 0.000 0.839 1074 L CB 0.846 42.936 42.059 0.052 0.000 1.276 1074 L HN 0.528 nan 8.230 nan 0.000 0.403 1075 F N 2.459 122.425 119.950 0.026 0.000 2.495 1075 F HA 0.371 4.912 4.527 0.024 0.000 0.327 1075 F C 0.664 176.542 175.800 0.130 0.000 1.103 1075 F CA -0.742 57.268 58.000 0.017 0.000 0.949 1075 F CB 1.635 40.600 39.000 -0.058 0.000 1.142 1075 F HN 0.610 nan 8.300 nan 0.000 0.457 1076 D N 0.664 121.241 120.400 0.295 0.000 2.344 1076 D HA 0.061 4.716 4.640 0.024 0.000 0.242 1076 D C -0.223 176.242 176.300 0.275 0.000 1.159 1076 D CA 0.027 54.202 54.000 0.292 0.000 0.859 1076 D CB -0.294 40.666 40.800 0.267 0.000 0.925 1076 D HN 0.699 nan 8.370 nan 0.000 0.510 1077 K N -1.803 118.739 120.400 0.238 0.000 2.533 1077 K HA 0.359 4.693 4.320 0.024 0.000 0.284 1077 K C -1.014 175.615 176.600 0.048 0.000 1.025 1077 K CA -1.063 55.308 56.287 0.139 0.000 0.900 1077 K CB 1.241 33.792 32.500 0.086 0.000 1.519 1077 K HN -0.147 nan 8.250 nan 0.000 0.432 1078 E N 2.356 122.555 120.200 -0.002 0.000 2.001 1078 E HA 0.158 4.522 4.350 0.024 0.000 0.279 1078 E C -0.674 175.838 176.600 -0.145 0.000 1.045 1078 E CA -0.557 55.797 56.400 -0.077 0.000 0.833 1078 E CB 0.423 30.100 29.700 -0.039 0.000 1.077 1078 E HN 0.443 nan 8.360 nan 0.000 0.397 1079 L N 4.627 125.701 121.223 -0.248 0.000 2.499 1079 L HA 0.010 4.364 4.340 0.024 0.000 0.273 1079 L C 0.636 177.333 176.870 -0.289 0.000 1.195 1079 L CA -0.258 54.385 54.840 -0.328 0.000 0.882 1079 L CB -0.262 41.505 42.059 -0.486 0.000 1.133 1079 L HN 0.574 nan 8.230 nan 0.000 0.483 1080 N N 1.073 119.630 118.700 -0.239 0.000 2.458 1080 N HA 0.079 4.833 4.740 0.024 0.000 0.271 1080 N C 0.543 175.904 175.510 -0.249 0.000 1.210 1080 N CA -0.741 52.194 53.050 -0.191 0.000 0.978 1080 N CB 0.648 39.061 38.487 -0.123 0.000 1.206 1080 N HN 0.549 nan 8.380 nan 0.000 0.536 1081 E N -0.081 120.009 120.200 -0.184 0.000 2.068 1081 E HA -0.353 4.011 4.350 0.024 0.000 0.207 1081 E C 1.244 177.737 176.600 -0.179 0.000 1.032 1081 E CA 1.655 57.948 56.400 -0.178 0.000 0.839 1081 E CB -0.009 29.656 29.700 -0.057 0.000 0.758 1081 E HN 0.633 nan 8.360 nan 0.000 0.457 1082 K N 0.338 120.660 120.400 -0.129 0.000 2.211 1082 K HA -0.189 4.145 4.320 0.024 0.000 0.203 1082 K C 1.855 178.377 176.600 -0.130 0.000 1.050 1082 K CA 1.303 57.525 56.287 -0.108 0.000 0.945 1082 K CB 0.035 32.486 32.500 -0.082 0.000 0.732 1082 K HN 0.181 nan 8.250 nan 0.000 0.451 1083 E N 0.244 120.339 120.200 -0.174 0.000 2.046 1083 E HA -0.122 4.242 4.350 0.024 0.000 0.190 1083 E C 2.017 178.489 176.600 -0.214 0.000 0.982 1083 E CA 1.182 57.461 56.400 -0.201 0.000 0.800 1083 E CB -0.004 29.546 29.700 -0.250 0.000 0.756 1083 E HN 0.280 nan 8.360 nan 0.000 0.449 1084 I N 1.063 121.470 120.570 -0.271 0.000 2.252 1084 I HA -0.244 3.940 4.170 0.024 0.000 0.245 1084 I C 2.263 178.332 176.117 -0.080 0.000 1.102 1084 I CA 0.918 62.074 61.300 -0.240 0.000 1.385 1084 I CB -0.203 37.497 38.000 -0.500 0.000 1.064 1084 I HN -0.011 nan 8.210 nan 0.000 0.414 1085 K N 0.843 121.183 120.400 -0.101 0.000 2.034 1085 K HA -0.240 4.095 4.320 0.024 0.000 0.214 1085 K C 1.755 178.376 176.600 0.035 0.000 1.051 1085 K CA 2.086 58.374 56.287 0.002 0.000 0.931 1085 K CB -0.359 32.125 32.500 -0.026 0.000 0.715 1085 K HN 0.283 nan 8.250 nan 0.000 0.446 1086 D N 0.943 121.320 120.400 -0.038 0.000 2.088 1086 D HA -0.176 4.478 4.640 0.024 0.000 0.191 1086 D C 1.879 178.141 176.300 -0.065 0.000 0.992 1086 D CA 0.776 54.742 54.000 -0.057 0.000 0.831 1086 D CB -0.553 40.196 40.800 -0.085 0.000 0.973 1086 D HN -0.050 nan 8.370 nan 0.000 0.447 1087 L N 0.408 121.584 121.223 -0.078 0.000 2.113 1087 L HA -0.278 4.076 4.340 0.024 0.000 0.221 1087 L C 2.243 179.018 176.870 -0.158 0.000 1.084 1087 L CA 1.618 56.410 54.840 -0.080 0.000 0.787 1087 L CB -1.119 40.926 42.059 -0.023 0.000 0.893 1087 L HN 0.195 nan 8.230 nan 0.000 0.440 1088 Y N 0.094 120.222 120.300 -0.286 0.000 2.293 1088 Y HA -0.195 4.369 4.550 0.024 0.000 0.291 1088 Y C 2.187 177.978 175.900 -0.181 0.000 1.137 1088 Y CA 1.962 59.816 58.100 -0.411 0.000 1.202 1088 Y CB -0.199 38.161 38.460 -0.165 0.000 0.990 1088 Y HN 0.344 nan 8.280 nan 0.000 0.537 1089 D N -1.242 119.038 120.400 -0.200 0.000 2.327 1089 D HA -0.063 4.592 4.640 0.024 0.000 0.205 1089 D C 1.621 177.804 176.300 -0.195 0.000 0.989 1089 D CA 0.519 54.370 54.000 -0.249 0.000 0.873 1089 D CB -0.206 40.505 40.800 -0.149 0.000 0.955 1089 D HN 0.410 nan 8.370 nan 0.000 0.515 1090 N N 0.631 119.234 118.700 -0.161 0.000 2.331 1090 N HA -0.053 4.701 4.740 0.024 0.000 0.180 1090 N C 1.037 176.436 175.510 -0.185 0.000 1.019 1090 N CA 0.632 53.591 53.050 -0.151 0.000 0.881 1090 N CB 0.222 38.631 38.487 -0.129 0.000 0.972 1090 N HN 0.352 nan 8.380 nan 0.000 0.435 1091 Q N -0.518 119.172 119.800 -0.183 0.000 2.247 1091 Q HA 0.237 4.591 4.340 0.024 0.000 0.204 1091 Q C 1.084 176.919 176.000 -0.274 0.000 0.872 1091 Q CA -0.084 55.583 55.803 -0.227 0.000 0.951 1091 Q CB 0.646 29.354 28.738 -0.050 0.000 1.099 1091 Q HN 0.074 nan 8.270 nan 0.000 0.501 1092 S N 0.989 116.545 115.700 -0.240 0.000 2.478 1092 S HA 0.001 4.485 4.470 0.024 0.000 0.222 1092 S C 0.459 174.924 174.600 -0.225 0.000 1.008 1092 S CA 0.069 58.102 58.200 -0.278 0.000 0.928 1092 S CB 0.161 63.183 63.200 -0.295 0.000 0.781 1092 S HN 0.454 nan 8.310 nan 0.000 0.518 1093 N N 1.086 119.677 118.700 -0.182 0.000 2.783 1093 N HA -0.138 4.616 4.740 0.024 0.000 0.247 1093 N C 0.868 176.310 175.510 -0.113 0.000 1.089 1093 N CA 0.748 53.720 53.050 -0.130 0.000 0.690 1093 N CB -1.561 36.882 38.487 -0.074 0.000 0.991 1093 N HN 0.570 nan 8.380 nan 0.000 0.552 1094 S N -1.568 114.062 115.700 -0.117 0.000 2.484 1094 S HA -0.153 4.332 4.470 0.024 0.000 0.250 1094 S C 1.907 176.461 174.600 -0.077 0.000 0.995 1094 S CA 1.410 59.553 58.200 -0.095 0.000 0.967 1094 S CB -0.313 62.832 63.200 -0.092 0.000 0.752 1094 S HN 0.536 nan 8.310 nan 0.000 0.517 1095 G N 0.372 109.121 108.800 -0.085 0.000 2.623 1095 G HA2 0.299 4.274 3.960 0.024 0.000 0.214 1095 G HA3 0.299 4.274 3.960 0.024 0.000 0.214 1095 G C 0.417 175.259 174.900 -0.097 0.000 1.138 1095 G CA -0.035 45.017 45.100 -0.081 0.000 0.794 1095 G HN 0.558 nan 8.290 nan 0.000 0.535 1096 I N 0.762 121.261 120.570 -0.119 0.000 2.412 1096 I HA 0.333 4.518 4.170 0.024 0.000 0.296 1096 I C -0.417 175.640 176.117 -0.099 0.000 0.987 1096 I CA -0.894 60.312 61.300 -0.156 0.000 1.180 1096 I CB 2.220 40.053 38.000 -0.278 0.000 1.340 1096 I HN -0.160 nan 8.210 nan 0.000 0.455 1097 L N 6.934 128.090 121.223 -0.112 0.000 2.436 1097 L HA 0.327 4.682 4.340 0.024 0.000 0.265 1097 L C 0.004 176.834 176.870 -0.066 0.000 1.168 1097 L CA 0.284 55.067 54.840 -0.095 0.000 0.815 1097 L CB 0.205 42.174 42.059 -0.150 0.000 1.109 1097 L HN 0.443 nan 8.230 nan 0.000 0.462 1098 K N 0.949 121.324 120.400 -0.041 0.000 2.422 1098 K HA 0.394 4.729 4.320 0.024 0.000 0.251 1098 K C -1.196 175.394 176.600 -0.017 0.000 0.933 1098 K CA -0.960 55.331 56.287 0.006 0.000 0.798 1098 K CB 1.988 34.507 32.500 0.032 0.000 1.238 1098 K HN 0.622 nan 8.250 nan 0.000 0.428 1099 D N 0.242 120.647 120.400 0.009 0.000 2.414 1099 D HA -0.035 4.619 4.640 0.024 0.000 0.251 1099 D C 0.960 177.288 176.300 0.046 0.000 1.252 1099 D CA -0.450 53.556 54.000 0.010 0.000 0.999 1099 D CB 0.286 41.153 40.800 0.110 0.000 1.093 1099 D HN 0.460 nan 8.370 nan 0.000 0.515 1100 F N -0.629 119.198 119.950 -0.206 0.000 2.202 1100 F HA -0.063 4.479 4.527 0.024 0.000 0.301 1100 F C 1.366 176.946 175.800 -0.367 0.000 1.082 1100 F CA 1.101 58.868 58.000 -0.388 0.000 1.313 1100 F CB -0.116 38.474 39.000 -0.683 0.000 1.024 1100 F HN 0.385 nan 8.300 nan 0.000 0.495 1101 W N -0.393 120.955 121.300 0.080 0.000 2.770 1101 W HA 0.293 4.967 4.660 0.024 0.000 0.256 1101 W C 1.902 178.447 176.519 0.044 0.000 1.291 1101 W CA 0.645 57.978 57.345 -0.021 0.000 1.396 1101 W CB -0.147 29.355 29.460 0.069 0.000 1.114 1101 W HN 0.174 nan 8.180 nan 0.000 0.637 1102 G N -0.468 108.489 108.800 0.261 0.000 2.184 1102 G HA2 -0.226 3.748 3.960 0.024 0.000 0.206 1102 G HA3 -0.226 3.748 3.960 0.024 0.000 0.206 1102 G C 0.025 175.081 174.900 0.259 0.000 0.995 1102 G CA -0.291 44.977 45.100 0.279 0.000 0.651 1102 G HN 0.116 nan 8.290 nan 0.000 0.511 1103 D N -0.191 120.384 120.400 0.291 0.000 2.371 1103 D HA 0.364 5.018 4.640 0.024 0.000 0.242 1103 D C 0.419 176.771 176.300 0.087 0.000 1.218 1103 D CA -0.065 54.003 54.000 0.112 0.000 0.945 1103 D CB 0.249 41.152 40.800 0.171 0.000 1.137 1103 D HN 0.046 nan 8.370 nan 0.000 0.464 1104 Y N 0.710 121.013 120.300 0.005 0.000 2.632 1104 Y HA 0.041 4.605 4.550 0.024 0.000 0.329 1104 Y C 0.720 176.615 175.900 -0.008 0.000 1.174 1104 Y CA -0.425 57.654 58.100 -0.034 0.000 1.469 1104 Y CB -0.276 38.157 38.460 -0.044 0.000 1.242 1104 Y HN 0.139 nan 8.280 nan 0.000 0.540 1105 L N 5.217 126.488 121.223 0.080 0.000 2.477 1105 L HA 0.124 4.479 4.340 0.024 0.000 0.272 1105 L C -0.275 176.563 176.870 -0.053 0.000 1.157 1105 L CA 0.339 55.139 54.840 -0.067 0.000 0.889 1105 L CB 0.096 41.959 42.059 -0.326 0.000 1.158 1105 L HN 0.631 nan 8.230 nan 0.000 0.473 1106 Q N 3.649 123.514 119.800 0.109 0.000 2.301 1106 Q HA 0.365 4.719 4.340 0.024 0.000 0.267 1106 Q C -1.285 174.741 176.000 0.043 0.000 1.035 1106 Q CA -0.754 55.089 55.803 0.066 0.000 0.856 1106 Q CB 1.688 30.509 28.738 0.139 0.000 1.337 1106 Q HN 0.505 nan 8.270 nan 0.000 0.450 1107 Y N 0.743 121.084 120.300 0.068 0.000 2.314 1107 Y HA -0.029 4.535 4.550 0.024 0.000 0.334 1107 Y C 0.303 176.230 175.900 0.044 0.000 1.266 1107 Y CA 0.213 58.347 58.100 0.057 0.000 1.391 1107 Y CB 0.733 39.212 38.460 0.032 0.000 1.306 1107 Y HN 0.649 nan 8.280 nan 0.000 0.558 1108 D N 1.472 122.005 120.400 0.221 0.000 2.737 1108 D HA -0.231 4.424 4.640 0.024 0.000 0.238 1108 D C -0.509 175.808 176.300 0.027 0.000 1.157 1108 D CA 0.975 55.038 54.000 0.106 0.000 0.694 1108 D CB -0.673 40.180 40.800 0.087 0.000 1.021 1108 D HN 0.522 nan 8.370 nan 0.000 0.420 1109 K N 0.313 120.690 120.400 -0.039 0.000 2.619 1109 K HA 0.374 4.708 4.320 0.024 0.000 0.251 1109 K C -3.117 173.244 176.600 -0.398 0.000 0.987 1109 K CA -1.607 54.552 56.287 -0.213 0.000 0.844 1109 K CB 2.061 34.402 32.500 -0.266 0.000 1.237 1109 K HN -0.310 nan 8.250 nan 0.000 0.447 1110 P HA 0.062 nan 4.420 nan 0.000 0.265 1110 P C -1.436 175.667 177.300 -0.328 0.000 1.222 1110 P CA 0.259 63.224 63.100 -0.225 0.000 0.767 1110 P CB 0.054 31.648 31.700 -0.176 0.000 0.801 1111 Y N 1.990 122.344 120.300 0.089 0.000 2.409 1111 Y HA 0.401 4.966 4.550 0.024 0.000 0.339 1111 Y C 0.320 176.198 175.900 -0.037 0.000 1.033 1111 Y CA -0.817 57.361 58.100 0.131 0.000 1.094 1111 Y CB 1.255 39.936 38.460 0.367 0.000 1.210 1111 Y HN 0.324 nan 8.280 nan 0.000 0.456 1112 Y N 3.046 123.463 120.300 0.195 0.000 2.316 1112 Y HA 0.251 4.816 4.550 0.024 0.000 0.331 1112 Y C 0.087 175.923 175.900 -0.105 0.000 1.083 1112 Y CA -0.598 57.529 58.100 0.045 0.000 1.206 1112 Y CB 0.656 39.161 38.460 0.075 0.000 1.195 1112 Y HN 0.312 nan 8.280 nan 0.000 0.497 1113 M N 4.878 124.400 119.600 -0.130 0.000 2.188 1113 M HA 0.252 4.746 4.480 0.024 0.000 0.357 1113 M C -1.096 175.162 176.300 -0.069 0.000 1.204 1113 M CA -0.778 54.327 55.300 -0.325 0.000 1.095 1113 M CB 1.077 33.186 32.600 -0.818 0.000 1.604 1113 M HN 0.513 nan 8.290 nan 0.000 0.464 1114 L N 5.095 126.289 121.223 -0.048 0.000 2.319 1114 L HA 0.438 4.792 4.340 0.024 0.000 0.281 1114 L C -0.309 176.538 176.870 -0.038 0.000 1.005 1114 L CA -0.034 54.776 54.840 -0.051 0.000 0.828 1114 L CB 0.931 42.867 42.059 -0.205 0.000 1.227 1114 L HN 0.656 nan 8.230 nan 0.000 0.415 1115 N N 5.263 123.862 118.700 -0.169 0.000 2.422 1115 N HA 0.165 4.919 4.740 0.024 0.000 0.264 1115 N C 0.616 175.966 175.510 -0.267 0.000 1.063 1115 N CA -0.259 52.462 53.050 -0.548 0.000 0.959 1115 N CB 1.131 39.193 38.487 -0.708 0.000 1.087 1115 N HN 0.835 nan 8.380 nan 0.000 0.483 1116 L N 3.372 124.446 121.223 -0.248 0.000 2.395 1116 L HA -0.078 4.276 4.340 0.024 0.000 0.218 1116 L C 1.548 178.398 176.870 -0.032 0.000 1.130 1116 L CA 0.558 55.333 54.840 -0.108 0.000 0.826 1116 L CB -0.328 41.677 42.059 -0.089 0.000 0.941 1116 L HN 0.626 nan 8.230 nan 0.000 0.451 1117 Y N -0.138 120.092 120.300 -0.116 0.000 2.457 1117 Y HA -0.041 4.524 4.550 0.024 0.000 0.292 1117 Y C 0.754 176.701 175.900 0.078 0.000 1.125 1117 Y CA 0.848 58.947 58.100 -0.002 0.000 1.254 1117 Y CB 0.543 39.007 38.460 0.007 0.000 1.012 1117 Y HN 0.020 nan 8.280 nan 0.000 0.555 1118 D N -0.740 119.766 120.400 0.177 0.000 2.429 1118 D HA 0.212 4.867 4.640 0.024 0.000 0.255 1118 D C -2.519 173.753 176.300 -0.048 0.000 1.257 1118 D CA -1.673 52.350 54.000 0.038 0.000 0.890 1118 D CB 1.307 42.100 40.800 -0.012 0.000 1.267 1118 D HN 0.014 nan 8.370 nan 0.000 0.521 1119 P HA 0.083 nan 4.420 nan 0.000 0.245 1119 P C 0.644 177.923 177.300 -0.035 0.000 1.212 1119 P CA 0.260 63.328 63.100 -0.053 0.000 0.774 1119 P CB 0.283 31.956 31.700 -0.045 0.000 0.999 1120 N N 0.201 118.882 118.700 -0.031 0.000 2.327 1120 N HA 0.097 4.852 4.740 0.024 0.000 0.231 1120 N C -0.289 175.207 175.510 -0.023 0.000 1.130 1120 N CA 0.118 53.162 53.050 -0.010 0.000 0.845 1120 N CB -0.153 38.331 38.487 -0.004 0.000 1.073 1120 N HN 0.074 nan 8.380 nan 0.000 0.496 1121 K N -0.325 120.045 120.400 -0.051 0.000 2.477 1121 K HA 0.294 4.628 4.320 0.024 0.000 0.255 1121 K C -1.132 175.455 176.600 -0.021 0.000 0.952 1121 K CA -0.889 55.328 56.287 -0.117 0.000 0.826 1121 K CB 1.815 34.182 32.500 -0.221 0.000 1.331 1121 K HN 0.021 nan 8.250 nan 0.000 0.437 1122 Y N -2.173 118.093 120.300 -0.056 0.000 2.675 1122 Y HA 0.752 5.316 4.550 0.024 0.000 0.328 1122 Y C -0.433 175.425 175.900 -0.069 0.000 1.092 1122 Y CA -1.395 56.682 58.100 -0.038 0.000 1.190 1122 Y CB 0.436 38.890 38.460 -0.011 0.000 1.350 1122 Y HN 0.112 nan 8.280 nan 0.000 0.525 1123 V N 1.092 121.118 119.914 0.186 0.000 2.612 1123 V HA 0.452 4.587 4.120 0.024 0.000 0.301 1123 V C -0.961 175.142 176.094 0.016 0.000 1.046 1123 V CA -0.286 62.035 62.300 0.035 0.000 0.946 1123 V CB 1.344 33.215 31.823 0.080 0.000 1.003 1123 V HN 0.866 nan 8.190 nan 0.000 0.459 1124 D N 1.020 121.272 120.400 -0.247 0.000 2.602 1124 D HA 0.592 5.247 4.640 0.024 0.000 0.236 1124 D C -1.454 174.730 176.300 -0.195 0.000 1.209 1124 D CA -0.230 53.605 54.000 -0.276 0.000 0.831 1124 D CB 2.472 42.924 40.800 -0.581 0.000 1.478 1124 D HN 0.296 nan 8.370 nan 0.000 0.438 1125 V N 3.537 123.424 119.914 -0.045 0.000 2.435 1125 V HA 0.307 4.441 4.120 0.024 0.000 0.290 1125 V C 1.284 177.396 176.094 0.030 0.000 1.030 1125 V CA -0.731 61.563 62.300 -0.011 0.000 0.881 1125 V CB 1.451 33.227 31.823 -0.077 0.000 0.983 1125 V HN 0.684 nan 8.190 nan 0.000 0.445 1126 N N 3.598 122.261 118.700 -0.063 0.000 2.251 1126 N HA -0.013 4.742 4.740 0.024 0.000 0.181 1126 N C 0.143 175.540 175.510 -0.188 0.000 1.019 1126 N CA 0.855 53.806 53.050 -0.164 0.000 0.862 1126 N CB 0.142 38.283 38.487 -0.576 0.000 0.992 1126 N HN 0.603 nan 8.380 nan 0.000 0.429 1127 N N 0.314 118.864 118.700 -0.250 0.000 2.369 1127 N HA 0.198 4.953 4.740 0.024 0.000 0.287 1127 N C -0.933 174.463 175.510 -0.190 0.000 1.067 1127 N CA -0.528 52.413 53.050 -0.181 0.000 0.888 1127 N CB 3.186 41.587 38.487 -0.143 0.000 1.616 1127 N HN 0.080 nan 8.380 nan 0.000 0.482 1128 V N 0.094 119.870 119.914 -0.231 0.000 3.287 1128 V HA 0.773 4.907 4.120 0.024 0.000 0.306 1128 V C 1.175 177.167 176.094 -0.171 0.000 1.103 1128 V CA 0.330 62.439 62.300 -0.319 0.000 1.159 1128 V CB -0.136 31.377 31.823 -0.516 0.000 1.036 1128 V HN 0.954 nan 8.190 nan 0.000 0.487 1129 G N 2.151 110.871 108.800 -0.133 0.000 2.698 1129 G HA2 -0.168 3.807 3.960 0.024 0.000 0.225 1129 G HA3 -0.168 3.807 3.960 0.024 0.000 0.225 1129 G C -0.204 174.678 174.900 -0.029 0.000 1.345 1129 G CA -0.108 44.962 45.100 -0.050 0.000 0.871 1129 G HN 1.353 nan 8.290 nan 0.000 0.540 1130 I N -0.791 119.777 120.570 -0.003 0.000 3.603 1130 I HA 0.195 4.379 4.170 0.024 0.000 0.297 1130 I C 2.564 178.701 176.117 0.033 0.000 1.269 1130 I CA 0.417 61.727 61.300 0.016 0.000 1.361 1130 I CB -0.177 37.832 38.000 0.015 0.000 1.063 1130 I HN 0.352 nan 8.210 nan 0.000 0.448 1131 R N 1.924 122.438 120.500 0.024 0.000 2.115 1131 R HA 0.062 4.417 4.340 0.024 0.000 0.230 1131 R C 1.262 177.608 176.300 0.077 0.000 1.111 1131 R CA 0.825 56.950 56.100 0.040 0.000 0.976 1131 R CB -0.544 29.767 30.300 0.019 0.000 0.870 1131 R HN 0.437 nan 8.270 nan 0.000 0.445 1132 G N -1.972 106.847 108.800 0.032 0.000 2.535 1132 G HA2 0.454 4.428 3.960 0.024 0.000 0.303 1132 G HA3 0.454 4.428 3.960 0.024 0.000 0.303 1132 G C -1.140 173.822 174.900 0.104 0.000 1.237 1132 G CA -0.298 44.794 45.100 -0.015 0.000 0.986 1132 G HN 0.259 nan 8.290 nan 0.000 0.494 1133 Y N -2.881 117.440 120.300 0.036 0.000 2.624 1133 Y HA 0.670 5.235 4.550 0.024 0.000 0.334 1133 Y C -0.408 175.575 175.900 0.138 0.000 1.155 1133 Y CA -1.709 56.433 58.100 0.071 0.000 1.046 1133 Y CB 0.993 39.496 38.460 0.072 0.000 1.316 1133 Y HN 0.513 nan 8.280 nan 0.000 0.457 1134 M N 2.631 122.434 119.600 0.338 0.000 2.471 1134 M HA 0.610 5.105 4.480 0.024 0.000 0.309 1134 M C -1.246 175.354 176.300 0.501 0.000 1.186 1134 M CA -0.788 54.686 55.300 0.289 0.000 1.008 1134 M CB 1.659 34.379 32.600 0.200 0.000 1.551 1134 M HN 0.926 nan 8.290 nan 0.000 0.477 1135 Y N -1.244 119.175 120.300 0.198 0.000 2.641 1135 Y HA 0.662 5.227 4.550 0.024 0.000 0.333 1135 Y C -2.285 173.654 175.900 0.065 0.000 1.174 1135 Y CA -1.486 56.720 58.100 0.176 0.000 1.057 1135 Y CB 1.075 39.678 38.460 0.239 0.000 1.322 1135 Y HN 0.571 nan 8.280 nan 0.000 0.457 1136 L N 3.937 125.180 121.223 0.034 0.000 2.289 1136 L HA 0.545 4.900 4.340 0.024 0.000 0.285 1136 L C -0.312 176.453 176.870 -0.175 0.000 1.049 1136 L CA -0.673 54.053 54.840 -0.190 0.000 0.804 1136 L CB 1.406 43.282 42.059 -0.305 0.000 1.195 1136 L HN 0.814 nan 8.230 nan 0.000 0.428 1137 K N 2.006 122.141 120.400 -0.443 0.000 2.443 1137 K HA 0.909 5.243 4.320 0.024 0.000 0.251 1137 K C -0.751 175.499 176.600 -0.583 0.000 0.972 1137 K CA -0.733 55.334 56.287 -0.367 0.000 0.833 1137 K CB 2.626 34.969 32.500 -0.262 0.000 1.317 1137 K HN 0.585 nan 8.250 nan 0.000 0.441 1138 G N 1.156 109.774 108.800 -0.303 0.000 2.766 1138 G HA2 0.635 4.610 3.960 0.024 0.000 0.288 1138 G HA3 0.635 4.610 3.960 0.024 0.000 0.288 1138 G C -2.856 172.028 174.900 -0.026 0.000 1.408 1138 G CA -1.168 43.825 45.100 -0.178 0.000 0.852 1138 G HN 0.497 nan 8.290 nan 0.000 0.487 1139 P HA 0.484 nan 4.420 nan 0.000 0.281 1139 P C -0.285 177.159 177.300 0.240 0.000 1.264 1139 P CA -0.744 62.407 63.100 0.087 0.000 0.824 1139 P CB 0.771 32.515 31.700 0.074 0.000 1.092 1140 R N 0.196 120.839 120.500 0.237 0.000 2.698 1140 R HA 0.378 4.732 4.340 0.024 0.000 0.266 1140 R C 1.047 177.420 176.300 0.122 0.000 1.026 1140 R CA -0.006 56.219 56.100 0.210 0.000 1.102 1140 R CB -0.271 30.113 30.300 0.139 0.000 0.978 1140 R HN 0.590 nan 8.270 nan 0.000 0.436 1141 G N 0.664 109.514 108.800 0.085 0.000 2.489 1141 G HA2 0.202 4.176 3.960 0.024 0.000 0.271 1141 G HA3 0.202 4.176 3.960 0.024 0.000 0.271 1141 G C -0.604 174.339 174.900 0.072 0.000 1.427 1141 G CA -0.524 44.617 45.100 0.068 0.000 1.057 1141 G HN 0.461 nan 8.290 nan 0.000 0.532 1142 S N -1.686 114.056 115.700 0.071 0.000 2.607 1142 S HA 0.629 5.114 4.470 0.024 0.000 0.303 1142 S C -0.141 174.517 174.600 0.096 0.000 1.086 1142 S CA -0.542 57.712 58.200 0.090 0.000 0.995 1142 S CB 1.789 65.034 63.200 0.076 0.000 1.084 1142 S HN 0.770 nan 8.310 nan 0.000 0.507 1143 V N 0.906 120.904 119.914 0.140 0.000 2.769 1143 V HA 0.901 5.035 4.120 0.024 0.000 0.312 1143 V C -0.450 175.766 176.094 0.202 0.000 1.058 1143 V CA -1.020 61.377 62.300 0.162 0.000 0.952 1143 V CB 1.066 32.978 31.823 0.148 0.000 1.019 1143 V HN 1.040 nan 8.190 nan 0.000 0.445 1144 M N 1.018 120.678 119.600 0.100 0.000 2.562 1144 M HA 0.715 5.209 4.480 0.024 0.000 0.281 1144 M C -1.355 174.521 176.300 -0.707 0.000 1.195 1144 M CA -0.312 54.790 55.300 -0.330 0.000 0.888 1144 M CB 2.405 34.901 32.600 -0.173 0.000 1.731 1144 M HN 0.453 nan 8.290 nan 0.000 0.493 1145 T N 1.331 115.141 114.554 -1.239 0.000 2.963 1145 T HA 0.318 4.682 4.350 0.024 0.000 0.328 1145 T C -0.565 173.893 174.700 -0.403 0.000 1.048 1145 T CA -0.393 61.315 62.100 -0.654 0.000 1.033 1145 T CB 1.216 69.769 68.868 -0.524 0.000 1.010 1145 T HN 0.828 nan 8.240 nan 0.000 0.469 1146 T N 5.706 120.122 114.554 -0.230 0.000 2.386 1146 T HA -0.111 4.253 4.350 0.024 0.000 0.219 1146 T C 0.989 175.610 174.700 -0.132 0.000 1.082 1146 T CA 1.083 63.094 62.100 -0.147 0.000 1.319 1146 T CB -0.341 68.470 68.868 -0.095 0.000 1.052 1146 T HN 0.790 nan 8.240 nan 0.000 0.474 1147 N N 1.255 119.882 118.700 -0.121 0.000 2.940 1147 N HA -0.153 4.602 4.740 0.024 0.000 0.185 1147 N C 0.617 176.059 175.510 -0.113 0.000 1.118 1147 N CA 1.257 54.242 53.050 -0.109 0.000 1.014 1147 N CB -1.192 37.227 38.487 -0.113 0.000 0.973 1147 N HN 0.509 nan 8.380 nan 0.000 0.561 1148 I N -0.237 120.269 120.570 -0.106 0.000 2.947 1148 I HA 0.133 4.317 4.170 0.024 0.000 0.263 1148 I C 0.307 176.558 176.117 0.224 0.000 1.130 1148 I CA 0.891 62.202 61.300 0.017 0.000 1.448 1148 I CB 0.118 38.174 38.000 0.093 0.000 1.222 1148 I HN 0.311 nan 8.210 nan 0.000 0.453 1149 Y N -0.123 120.209 120.300 0.055 0.000 2.558 1149 Y HA 0.668 5.233 4.550 0.024 0.000 0.333 1149 Y C -1.540 174.369 175.900 0.014 0.000 1.125 1149 Y CA -2.380 55.742 58.100 0.037 0.000 1.039 1149 Y CB 1.111 39.548 38.460 -0.038 0.000 1.331 1149 Y HN -0.096 nan 8.280 nan 0.000 0.456 1150 L N 3.645 124.997 121.223 0.216 0.000 2.617 1150 L HA 0.628 4.983 4.340 0.024 0.000 0.259 1150 L C -2.267 174.732 176.870 0.216 0.000 0.995 1150 L CA -0.641 54.297 54.840 0.165 0.000 0.899 1150 L CB 0.848 42.937 42.059 0.050 0.000 1.181 1150 L HN 0.864 nan 8.230 nan 0.000 0.437 1151 N N 1.351 120.220 118.700 0.282 0.000 2.592 1151 N HA 0.624 5.378 4.740 0.024 0.000 0.292 1151 N C -0.683 174.982 175.510 0.258 0.000 1.260 1151 N CA -0.957 52.271 53.050 0.297 0.000 0.910 1151 N CB 1.151 39.930 38.487 0.486 0.000 1.257 1151 N HN 0.436 nan 8.380 nan 0.000 0.569 1152 S N 0.044 115.884 115.700 0.234 0.000 2.549 1152 S HA 0.104 4.588 4.470 0.024 0.000 0.279 1152 S C 0.091 174.799 174.600 0.181 0.000 1.321 1152 S CA -0.452 57.839 58.200 0.152 0.000 1.054 1152 S CB 0.259 63.507 63.200 0.080 0.000 0.899 1152 S HN 0.496 nan 8.310 nan 0.000 0.497 1153 S N 3.172 118.945 115.700 0.122 0.000 2.546 1153 S HA 0.111 4.595 4.470 0.024 0.000 0.290 1153 S C 0.921 175.516 174.600 -0.009 0.000 1.290 1153 S CA -0.257 57.995 58.200 0.086 0.000 1.069 1153 S CB -0.087 63.131 63.200 0.031 0.000 0.846 1153 S HN 0.677 nan 8.310 nan 0.000 0.495 1154 L N 4.089 125.263 121.223 -0.081 0.000 2.575 1154 L HA 0.230 4.584 4.340 0.024 0.000 0.228 1154 L C -0.151 176.566 176.870 -0.255 0.000 1.075 1154 L CA 0.105 54.772 54.840 -0.289 0.000 0.867 1154 L CB 0.031 41.717 42.059 -0.621 0.000 1.097 1154 L HN 0.667 nan 8.230 nan 0.000 0.485 1155 Y N 2.024 122.095 120.300 -0.381 0.000 2.826 1155 Y HA 0.311 4.875 4.550 0.024 0.000 0.371 1155 Y C 0.363 175.682 175.900 -0.970 0.000 1.252 1155 Y CA -0.849 56.582 58.100 -1.115 0.000 1.813 1155 Y CB -0.656 37.279 38.460 -0.875 0.000 1.913 1155 Y HN -0.031 nan 8.280 nan 0.000 0.447 1156 R N -0.211 120.095 120.500 -0.324 0.000 2.854 1156 R HA 0.777 5.131 4.340 0.024 0.000 0.271 1156 R C 0.483 176.850 176.300 0.113 0.000 0.996 1156 R CA -0.438 55.564 56.100 -0.163 0.000 0.961 1156 R CB 1.709 31.791 30.300 -0.365 0.000 1.182 1156 R HN 0.553 nan 8.270 nan 0.000 0.479 1157 G N 0.123 108.881 108.800 -0.070 0.000 2.698 1157 G HA2 -0.261 3.714 3.960 0.024 0.000 0.225 1157 G HA3 -0.261 3.714 3.960 0.024 0.000 0.225 1157 G C -0.666 174.343 174.900 0.183 0.000 1.345 1157 G CA -0.236 44.948 45.100 0.139 0.000 0.871 1157 G HN 0.632 nan 8.290 nan 0.000 0.540 1158 T N 0.529 115.188 114.554 0.174 0.000 2.897 1158 T HA 0.517 4.881 4.350 0.024 0.000 0.294 1158 T C 0.579 175.391 174.700 0.187 0.000 1.004 1158 T CA 0.122 62.316 62.100 0.156 0.000 1.106 1158 T CB 0.131 69.100 68.868 0.169 0.000 0.949 1158 T HN 0.548 nan 8.240 nan 0.000 0.520 1159 K N 3.135 123.602 120.400 0.113 0.000 2.143 1159 K HA 0.405 4.739 4.320 0.024 0.000 0.272 1159 K C -0.926 175.913 176.600 0.398 0.000 1.001 1159 K CA -0.473 55.866 56.287 0.086 0.000 0.915 1159 K CB 0.786 33.184 32.500 -0.170 0.000 1.047 1159 K HN 0.386 nan 8.250 nan 0.000 0.458 1160 F N 2.320 122.270 119.950 0.001 0.000 2.450 1160 F HA 0.478 5.019 4.527 0.024 0.000 0.332 1160 F C 0.265 176.168 175.800 0.172 0.000 1.093 1160 F CA -1.111 56.944 58.000 0.093 0.000 1.003 1160 F CB 0.961 40.031 39.000 0.117 0.000 1.151 1160 F HN 0.215 nan 8.300 nan 0.000 0.474 1161 I N 4.471 125.196 120.570 0.257 0.000 2.447 1161 I HA 0.352 4.536 4.170 0.024 0.000 0.287 1161 I C -0.697 175.555 176.117 0.225 0.000 1.023 1161 I CA -0.548 60.880 61.300 0.213 0.000 1.083 1161 I CB 2.004 40.064 38.000 0.100 0.000 1.245 1161 I HN 0.352 nan 8.210 nan 0.000 0.434 1162 I N 6.973 127.695 120.570 0.254 0.000 2.308 1162 I HA 0.155 4.339 4.170 0.024 0.000 0.293 1162 I C 0.084 176.403 176.117 0.335 0.000 1.078 1162 I CA -0.279 61.157 61.300 0.227 0.000 1.292 1162 I CB 0.092 38.126 38.000 0.057 0.000 1.423 1162 I HN 0.334 nan 8.210 nan 0.000 0.493 1163 K N 6.905 127.487 120.400 0.304 0.000 2.183 1163 K HA 0.373 4.707 4.320 0.024 0.000 0.274 1163 K C -0.235 176.504 176.600 0.232 0.000 1.009 1163 K CA -0.857 55.592 56.287 0.271 0.000 0.888 1163 K CB 1.513 34.154 32.500 0.234 0.000 1.078 1163 K HN 0.416 nan 8.250 nan 0.000 0.459 1164 K N 1.872 122.261 120.400 -0.019 0.000 2.489 1164 K HA -0.114 4.220 4.320 0.024 0.000 0.278 1164 K C 0.397 176.933 176.600 -0.107 0.000 1.000 1164 K CA 0.415 56.512 56.287 -0.317 0.000 1.012 1164 K CB 0.286 32.462 32.500 -0.540 0.000 0.903 1164 K HN 0.513 nan 8.250 nan 0.000 0.485 1165 Y N 2.365 122.481 120.300 -0.306 0.000 2.687 1165 Y HA 0.365 4.929 4.550 0.024 0.000 0.246 1165 Y C -0.185 175.560 175.900 -0.258 0.000 1.061 1165 Y CA 0.317 58.163 58.100 -0.424 0.000 1.400 1165 Y CB 0.335 38.386 38.460 -0.680 0.000 1.325 1165 Y HN 0.542 nan 8.280 nan 0.000 0.498 1166 A N -0.351 122.309 122.820 -0.267 0.000 2.384 1166 A HA 0.800 5.134 4.320 0.024 0.000 0.312 1166 A C 0.173 177.681 177.584 -0.127 0.000 1.113 1166 A CA 0.285 52.170 52.037 -0.253 0.000 0.779 1166 A CB 0.933 19.792 19.000 -0.234 0.000 1.307 1166 A HN 0.755 nan 8.150 nan 0.000 0.436 1167 S N -0.416 115.206 115.700 -0.130 0.000 4.198 1167 S HA 0.549 5.033 4.470 0.024 0.000 0.202 1167 S C 1.706 176.269 174.600 -0.062 0.000 1.124 1167 S CA 1.219 59.362 58.200 -0.096 0.000 1.050 1167 S CB -0.839 nan 63.200 nan 0.000 1.401 1167 S HN 2.657 nan 8.310 nan 0.000 0.589 1168 G N 1.129 109.885 108.800 -0.074 0.000 2.661 1168 G HA2 0.089 4.064 3.960 0.024 0.000 0.327 1168 G HA3 0.089 4.064 3.960 0.024 0.000 0.327 1168 G C 1.016 175.888 174.900 -0.046 0.000 1.320 1168 G CA 1.930 46.997 45.100 -0.055 0.000 0.997 1168 G HN 2.389 nan 8.290 nan 0.000 0.543 1169 N N -1.965 116.720 118.700 -0.026 0.000 2.537 1169 N HA 0.294 5.048 4.740 0.024 0.000 0.302 1169 N C 1.592 177.093 175.510 -0.016 0.000 1.368 1169 N CA 2.072 55.114 53.050 -0.014 0.000 0.666 1169 N CB -1.814 nan 38.487 nan 0.000 1.006 1169 N HN 2.451 nan 8.380 nan 0.000 0.507 1170 K N -0.001 120.392 120.400 -0.012 0.000 2.520 1170 K HA -0.016 4.319 4.320 0.024 0.000 0.197 1170 K C 0.818 177.415 176.600 -0.005 0.000 1.044 1170 K CA 2.254 58.535 56.287 -0.011 0.000 0.938 1170 K CB -0.488 nan 32.500 nan 0.000 0.767 1170 K HN 1.286 nan 8.250 nan 0.000 0.481 1171 D N -3.055 117.351 120.400 0.009 0.000 2.668 1171 D HA 0.184 4.838 4.640 0.024 0.000 0.249 1171 D C 0.120 176.467 176.300 0.078 0.000 1.150 1171 D CA -0.691 53.330 54.000 0.034 0.000 1.090 1171 D CB 0.379 41.197 40.800 0.030 0.000 1.244 1171 D HN -0.032 nan 8.370 nan 0.000 0.636 1172 N N -1.316 117.455 118.700 0.118 0.000 2.197 1172 N HA 0.237 4.991 4.740 0.024 0.000 0.228 1172 N C -0.678 174.964 175.510 0.220 0.000 1.212 1172 N CA -0.121 53.057 53.050 0.213 0.000 0.883 1172 N CB 0.788 39.362 38.487 0.145 0.000 1.107 1172 N HN 0.321 nan 8.380 nan 0.000 0.519 1173 I N 1.520 122.163 120.570 0.121 0.000 2.321 1173 I HA 0.204 4.388 4.170 0.024 0.000 0.291 1173 I C 0.237 176.290 176.117 -0.106 0.000 0.998 1173 I CA -0.627 60.651 61.300 -0.037 0.000 1.227 1173 I CB 1.879 39.780 38.000 -0.164 0.000 1.368 1173 I HN -0.320 nan 8.210 nan 0.000 0.466 1174 V N 7.665 127.385 119.914 -0.324 0.000 2.415 1174 V HA 0.195 4.329 4.120 0.024 0.000 0.267 1174 V C 0.637 176.589 176.094 -0.237 0.000 1.042 1174 V CA -0.045 61.971 62.300 -0.474 0.000 1.000 1174 V CB -0.198 31.212 31.823 -0.689 0.000 1.015 1174 V HN 0.669 nan 8.190 nan 0.000 0.478 1175 R N 3.431 123.858 120.500 -0.122 0.000 2.674 1175 R HA 0.344 4.698 4.340 0.024 0.000 0.266 1175 R C 0.209 176.472 176.300 -0.061 0.000 1.016 1175 R CA -0.984 55.059 56.100 -0.095 0.000 1.062 1175 R CB 0.660 30.921 30.300 -0.065 0.000 1.142 1175 R HN 0.653 nan 8.270 nan 0.000 0.517 1176 N N 1.922 120.590 118.700 -0.054 0.000 2.411 1176 N HA -0.115 4.639 4.740 0.024 0.000 0.265 1176 N C -0.471 175.033 175.510 -0.010 0.000 1.266 1176 N CA 0.866 53.901 53.050 -0.026 0.000 0.889 1176 N CB 0.116 38.589 38.487 -0.024 0.000 1.069 1176 N HN 0.624 nan 8.380 nan 0.000 0.476 1177 N N 0.407 119.108 118.700 0.002 0.000 3.002 1177 N HA -0.180 4.574 4.740 0.024 0.000 0.229 1177 N C -1.394 174.123 175.510 0.013 0.000 0.927 1177 N CA 0.470 53.523 53.050 0.005 0.000 0.980 1177 N CB -1.250 37.238 38.487 0.002 0.000 1.077 1177 N HN 0.643 nan 8.380 nan 0.000 0.572 1178 D N 1.409 121.824 120.400 0.024 0.000 2.424 1178 D HA 0.094 4.748 4.640 0.024 0.000 0.244 1178 D C 0.757 177.091 176.300 0.056 0.000 1.134 1178 D CA 0.442 54.481 54.000 0.064 0.000 0.881 1178 D CB 0.619 41.495 40.800 0.126 0.000 1.191 1178 D HN 0.105 nan 8.370 nan 0.000 0.445 1179 R N 1.216 121.754 120.500 0.064 0.000 2.265 1179 R HA 0.480 4.834 4.340 0.024 0.000 0.319 1179 R C -0.145 176.176 176.300 0.035 0.000 1.006 1179 R CA -0.771 55.341 56.100 0.020 0.000 0.880 1179 R CB 1.226 31.541 30.300 0.024 0.000 1.077 1179 R HN 0.243 nan 8.270 nan 0.000 0.454 1180 V N -0.145 119.739 119.914 -0.049 0.000 3.130 1180 V HA 0.534 4.668 4.120 0.024 0.000 0.310 1180 V C -1.034 175.002 176.094 -0.097 0.000 1.158 1180 V CA -1.213 61.086 62.300 -0.002 0.000 1.029 1180 V CB 1.626 33.549 31.823 0.167 0.000 1.057 1180 V HN 0.641 nan 8.190 nan 0.000 0.436 1181 Y N 1.536 121.885 120.300 0.083 0.000 2.352 1181 Y HA 0.681 5.245 4.550 0.024 0.000 0.326 1181 Y C 0.273 176.200 175.900 0.045 0.000 1.166 1181 Y CA -1.071 57.047 58.100 0.029 0.000 1.182 1181 Y CB 1.842 40.331 38.460 0.047 0.000 1.216 1181 Y HN 0.440 nan 8.280 nan 0.000 0.474 1182 I N 3.370 124.042 120.570 0.170 0.000 2.362 1182 I HA 0.219 4.404 4.170 0.024 0.000 0.289 1182 I C -0.825 175.265 176.117 -0.044 0.000 0.994 1182 I CA -0.800 60.533 61.300 0.055 0.000 1.158 1182 I CB 1.221 39.206 38.000 -0.026 0.000 1.315 1182 I HN 0.657 nan 8.210 nan 0.000 0.451 1183 N N 4.977 123.652 118.700 -0.041 0.000 2.443 1183 N HA 0.489 5.243 4.740 0.024 0.000 0.295 1183 N C -0.652 174.748 175.510 -0.183 0.000 1.076 1183 N CA -0.384 52.617 53.050 -0.083 0.000 0.919 1183 N CB 2.498 40.971 38.487 -0.024 0.000 1.176 1183 N HN 0.205 nan 8.380 nan 0.000 0.487 1184 V N 1.851 121.671 119.914 -0.157 0.000 2.384 1184 V HA 0.293 4.428 4.120 0.024 0.000 0.287 1184 V C -0.115 176.006 176.094 0.045 0.000 1.020 1184 V CA -0.860 61.344 62.300 -0.159 0.000 0.850 1184 V CB 1.762 33.454 31.823 -0.217 0.000 0.987 1184 V HN 0.327 nan 8.190 nan 0.000 0.436 1185 V N 6.432 126.378 119.914 0.054 0.000 2.405 1185 V HA 0.253 4.388 4.120 0.024 0.000 0.264 1185 V C -0.016 176.153 176.094 0.126 0.000 1.048 1185 V CA -0.085 62.260 62.300 0.075 0.000 0.966 1185 V CB 1.235 33.070 31.823 0.020 0.000 1.015 1185 V HN 0.614 nan 8.190 nan 0.000 0.477 1186 V N 6.474 126.527 119.914 0.232 0.000 2.380 1186 V HA 0.469 4.604 4.120 0.024 0.000 0.286 1186 V C 0.239 176.459 176.094 0.210 0.000 1.015 1186 V CA -1.084 61.340 62.300 0.208 0.000 0.834 1186 V CB 1.319 33.224 31.823 0.138 0.000 1.009 1186 V HN 0.885 nan 8.190 nan 0.000 0.428 1187 K N 4.268 124.738 120.400 0.116 0.000 3.148 1187 K HA -0.219 4.116 4.320 0.024 0.000 0.267 1187 K C 0.563 177.206 176.600 0.070 0.000 0.996 1187 K CA 0.757 57.097 56.287 0.088 0.000 0.737 1187 K CB -1.193 31.360 32.500 0.089 0.000 1.308 1187 K HN 0.966 nan 8.250 nan 0.000 0.470 1188 N N -1.395 117.334 118.700 0.049 0.000 2.778 1188 N HA -0.198 4.556 4.740 0.024 0.000 0.249 1188 N C -0.048 175.450 175.510 -0.020 0.000 1.069 1188 N CA 1.875 54.933 53.050 0.013 0.000 0.831 1188 N CB -0.661 37.832 38.487 0.009 0.000 1.142 1188 N HN 0.678 nan 8.380 nan 0.000 0.573 1189 K N 1.013 121.401 120.400 -0.019 0.000 2.244 1189 K HA 0.332 4.666 4.320 0.024 0.000 0.260 1189 K C -0.562 175.872 176.600 -0.277 0.000 0.951 1189 K CA -0.439 55.737 56.287 -0.185 0.000 0.826 1189 K CB 1.097 33.444 32.500 -0.255 0.000 1.108 1189 K HN 0.038 nan 8.250 nan 0.000 0.433 1190 E N 2.751 122.751 120.200 -0.332 0.000 2.259 1190 E HA 0.157 4.521 4.350 0.024 0.000 0.281 1190 E C -1.167 175.165 176.600 -0.447 0.000 1.027 1190 E CA -0.266 55.986 56.400 -0.248 0.000 0.838 1190 E CB 0.787 30.400 29.700 -0.145 0.000 1.066 1190 E HN 0.392 nan 8.360 nan 0.000 0.401 1191 Y N 0.930 121.189 120.300 -0.068 0.000 2.598 1191 Y HA 0.448 5.012 4.550 0.024 0.000 0.340 1191 Y C 0.034 175.870 175.900 -0.107 0.000 1.038 1191 Y CA -1.161 56.892 58.100 -0.079 0.000 1.100 1191 Y CB 1.604 40.022 38.460 -0.071 0.000 1.281 1191 Y HN 0.363 nan 8.280 nan 0.000 0.488 1192 R N 1.619 122.158 120.500 0.065 0.000 2.460 1192 R HA 0.559 4.914 4.340 0.024 0.000 0.303 1192 R C -1.879 174.396 176.300 -0.041 0.000 0.968 1192 R CA -0.738 55.339 56.100 -0.037 0.000 0.889 1192 R CB 0.943 31.183 30.300 -0.101 0.000 1.123 1192 R HN 0.657 nan 8.270 nan 0.000 0.455 1193 L N 3.945 125.120 121.223 -0.080 0.000 2.278 1193 L HA 0.717 5.071 4.340 0.024 0.000 0.287 1193 L C -1.105 175.742 176.870 -0.038 0.000 1.072 1193 L CA 0.493 55.282 54.840 -0.085 0.000 0.819 1193 L CB 0.795 42.755 42.059 -0.164 0.000 1.176 1193 L HN 0.847 nan 8.230 nan 0.000 0.435 1194 A N 3.247 126.057 122.820 -0.017 0.000 2.602 1194 A HA 0.832 5.166 4.320 0.024 0.000 0.290 1194 A C -0.758 176.835 177.584 0.016 0.000 1.114 1194 A CA -0.264 51.773 52.037 -0.001 0.000 0.683 1194 A CB 1.784 20.778 19.000 -0.010 0.000 1.281 1194 A HN 0.632 nan 8.150 nan 0.000 0.416 1195 T N -0.424 114.141 114.554 0.018 0.000 2.868 1195 T HA 0.439 4.803 4.350 0.024 0.000 0.306 1195 T C -0.952 173.758 174.700 0.016 0.000 1.224 1195 T CA -0.557 61.557 62.100 0.025 0.000 1.012 1195 T CB 1.190 70.079 68.868 0.036 0.000 1.221 1195 T HN 0.790 nan 8.240 nan 0.000 0.499 1196 N N 1.968 120.677 118.700 0.015 0.000 2.420 1196 N HA 0.411 5.165 4.740 0.024 0.000 0.262 1196 N C 1.173 176.688 175.510 0.008 0.000 1.144 1196 N CA 0.007 53.063 53.050 0.009 0.000 0.952 1196 N CB 0.742 39.233 38.487 0.007 0.000 1.081 1196 N HN 0.649 nan 8.380 nan 0.000 0.480 1197 A N 2.419 125.243 122.820 0.007 0.000 2.016 1197 A HA -0.082 4.252 4.320 0.024 0.000 0.217 1197 A C 1.784 179.369 177.584 0.002 0.000 1.162 1197 A CA 1.112 53.152 52.037 0.006 0.000 0.662 1197 A CB -0.240 18.763 19.000 0.005 0.000 0.812 1197 A HN 0.725 nan 8.150 nan 0.000 0.450 1198 S N -0.626 115.074 115.700 0.000 0.000 2.671 1198 S HA 0.101 4.585 4.470 0.024 0.000 0.220 1198 S C 0.621 175.217 174.600 -0.006 0.000 0.951 1198 S CA -0.169 58.029 58.200 -0.002 0.000 0.932 1198 S CB -0.498 62.701 63.200 -0.001 0.000 0.777 1198 S HN 0.596 nan 8.310 nan 0.000 0.508 1199 Q N 2.026 121.822 119.800 -0.008 0.000 2.244 1199 Q HA 0.390 4.745 4.340 0.024 0.000 0.276 1199 Q C 0.133 176.120 176.000 -0.021 0.000 1.122 1199 Q CA -0.309 55.485 55.803 -0.015 0.000 0.920 1199 Q CB 0.253 28.983 28.738 -0.015 0.000 1.186 1199 Q HN 0.599 nan 8.270 nan 0.000 0.393 1200 A N 3.889 126.694 122.820 -0.024 0.000 2.540 1200 A HA 0.492 4.826 4.320 0.024 0.000 0.239 1200 A C 0.691 178.251 177.584 -0.039 0.000 1.061 1200 A CA 0.783 52.804 52.037 -0.026 0.000 0.758 1200 A CB -0.209 18.776 19.000 -0.025 0.000 0.991 1200 A HN 1.144 nan 8.150 nan 0.000 0.502 1201 G N 0.053 108.831 108.800 -0.037 0.000 2.434 1201 G HA2 0.144 4.118 3.960 0.024 0.000 0.671 1201 G HA3 0.144 4.118 3.960 0.024 0.000 0.671 1201 G C 0.239 175.115 174.900 -0.041 0.000 1.280 1201 G CA -0.264 44.806 45.100 -0.051 0.000 0.975 1201 G HN 1.297 nan 8.290 nan 0.000 0.510 1202 V N 0.165 120.048 119.914 -0.052 0.000 2.795 1202 V HA 0.208 4.342 4.120 0.024 0.000 0.243 1202 V C 1.243 177.317 176.094 -0.033 0.000 1.069 1202 V CA 1.968 64.250 62.300 -0.029 0.000 1.089 1202 V CB -0.085 31.727 31.823 -0.017 0.000 0.756 1202 V HN 0.583 nan 8.190 nan 0.000 0.471 1203 E N 1.827 121.981 120.200 -0.076 0.000 2.194 1203 E HA 0.240 4.604 4.350 0.024 0.000 0.284 1203 E C -0.646 175.928 176.600 -0.043 0.000 1.035 1203 E CA -0.375 55.985 56.400 -0.067 0.000 0.836 1203 E CB 0.748 30.364 29.700 -0.140 0.000 1.070 1203 E HN 0.196 nan 8.360 nan 0.000 0.401 1204 K N 3.534 123.939 120.400 0.008 0.000 2.240 1204 K HA 0.358 4.692 4.320 0.024 0.000 0.271 1204 K C -0.001 176.622 176.600 0.039 0.000 1.018 1204 K CA -0.520 55.776 56.287 0.015 0.000 0.874 1204 K CB 1.135 33.653 32.500 0.030 0.000 1.098 1204 K HN 0.477 nan 8.250 nan 0.000 0.458 1205 I N 5.014 125.599 120.570 0.025 0.000 2.406 1205 I HA 0.034 4.218 4.170 0.024 0.000 0.293 1205 I C 0.488 176.658 176.117 0.087 0.000 1.101 1205 I CA -0.319 61.014 61.300 0.056 0.000 1.334 1205 I CB -0.047 37.964 38.000 0.017 0.000 1.421 1205 I HN 0.255 nan 8.210 nan 0.000 0.513 1206 L N 6.268 127.561 121.223 0.116 0.000 2.456 1206 L HA 0.238 4.592 4.340 0.024 0.000 0.272 1206 L C 0.470 177.408 176.870 0.115 0.000 1.189 1206 L CA 0.194 55.096 54.840 0.103 0.000 0.846 1206 L CB 0.156 42.282 42.059 0.111 0.000 1.111 1206 L HN 0.599 nan 8.230 nan 0.000 0.475 1207 S N 0.395 116.136 115.700 0.068 0.000 2.811 1207 S HA 0.804 5.288 4.470 0.024 0.000 0.311 1207 S C -0.650 173.946 174.600 -0.006 0.000 1.152 1207 S CA -0.715 57.515 58.200 0.050 0.000 0.864 1207 S CB 1.903 65.132 63.200 0.048 0.000 1.226 1207 S HN 0.701 nan 8.310 nan 0.000 0.541 1208 A N 1.223 124.014 122.820 -0.048 0.000 2.293 1208 A HA 0.709 5.043 4.320 0.024 0.000 0.312 1208 A C -1.187 176.350 177.584 -0.079 0.000 1.309 1208 A CA -0.339 51.649 52.037 -0.080 0.000 0.839 1208 A CB -0.355 18.549 19.000 -0.160 0.000 1.155 1208 A HN 0.468 nan 8.150 nan 0.000 0.501 1209 L N 1.380 122.609 121.223 0.010 0.000 2.344 1209 L HA 0.410 4.765 4.340 0.024 0.000 0.272 1209 L C 0.564 177.531 176.870 0.161 0.000 1.035 1209 L CA -0.327 54.540 54.840 0.045 0.000 0.807 1209 L CB 0.960 43.028 42.059 0.016 0.000 1.237 1209 L HN 0.564 nan 8.230 nan 0.000 0.442 1210 E N 1.912 122.215 120.200 0.172 0.000 2.465 1210 E HA -0.027 4.337 4.350 0.024 0.000 0.260 1210 E C 1.241 177.865 176.600 0.041 0.000 0.980 1210 E CA 0.240 56.742 56.400 0.170 0.000 0.927 1210 E CB 0.633 30.399 29.700 0.111 0.000 0.934 1210 E HN 0.480 nan 8.360 nan 0.000 0.459 1211 I N 3.313 123.869 120.570 -0.024 0.000 2.236 1211 I HA -0.230 3.954 4.170 0.024 0.000 0.249 1211 I C -0.681 175.385 176.117 -0.085 0.000 1.102 1211 I CA 1.080 62.331 61.300 -0.081 0.000 1.365 1211 I CB -1.379 36.549 38.000 -0.120 0.000 1.051 1211 I HN 0.392 nan 8.210 nan 0.000 0.420 1212 P HA 0.055 nan 4.420 nan 0.000 0.245 1212 P C 0.466 177.747 177.300 -0.033 0.000 1.199 1212 P CA 0.980 64.051 63.100 -0.050 0.000 0.807 1212 P CB 0.097 31.774 31.700 -0.039 0.000 1.002 1213 D N -0.872 119.517 120.400 -0.019 0.000 2.328 1213 D HA 0.011 4.665 4.640 0.024 0.000 0.221 1213 D C 1.764 178.057 176.300 -0.012 0.000 1.072 1213 D CA 0.077 54.073 54.000 -0.007 0.000 0.850 1213 D CB -0.057 40.749 40.800 0.010 0.000 0.922 1213 D HN -0.195 nan 8.370 nan 0.000 0.516 1214 V N 0.257 120.153 119.914 -0.029 0.000 2.233 1214 V HA -0.075 4.059 4.120 0.024 0.000 0.247 1214 V C 1.895 177.976 176.094 -0.021 0.000 1.050 1214 V CA 1.590 63.869 62.300 -0.035 0.000 1.010 1214 V CB -1.299 30.479 31.823 -0.075 0.000 0.637 1214 V HN 0.465 nan 8.190 nan 0.000 0.444 1215 G N 1.085 109.873 108.800 -0.021 0.000 2.528 1215 G HA2 -0.340 3.635 3.960 0.024 0.000 0.262 1215 G HA3 -0.340 3.635 3.960 0.024 0.000 0.262 1215 G C 0.171 175.070 174.900 -0.001 0.000 1.200 1215 G CA 0.315 45.410 45.100 -0.008 0.000 0.951 1215 G HN 0.884 nan 8.290 nan 0.000 0.566 1216 N N 1.152 119.855 118.700 0.005 0.000 2.389 1216 N HA 0.252 5.006 4.740 0.024 0.000 0.237 1216 N C 0.608 176.122 175.510 0.008 0.000 1.148 1216 N CA -0.031 53.025 53.050 0.011 0.000 0.854 1216 N CB -0.160 38.335 38.487 0.013 0.000 1.115 1216 N HN 0.646 nan 8.380 nan 0.000 0.492 1217 L N 0.501 121.725 121.223 0.003 0.000 2.395 1217 L HA 0.232 4.586 4.340 0.024 0.000 0.269 1217 L C 0.263 177.135 176.870 0.004 0.000 1.133 1217 L CA -0.573 54.268 54.840 0.002 0.000 0.812 1217 L CB 0.823 42.881 42.059 -0.001 0.000 1.125 1217 L HN 0.100 nan 8.230 nan 0.000 0.452 1218 S N 1.739 117.442 115.700 0.005 0.000 2.488 1218 S HA 0.166 4.650 4.470 0.024 0.000 0.278 1218 S C 0.437 175.040 174.600 0.005 0.000 1.259 1218 S CA -0.498 57.704 58.200 0.002 0.000 1.061 1218 S CB 0.745 63.945 63.200 0.001 0.000 0.910 1218 S HN 0.713 nan 8.310 nan 0.000 0.491 1219 Q N 0.360 120.166 119.800 0.010 0.000 1.907 1219 Q HA 0.230 4.585 4.340 0.024 0.000 0.195 1219 Q C -0.667 175.369 176.000 0.059 0.000 0.742 1219 Q CA -0.241 55.583 55.803 0.036 0.000 0.877 1219 Q CB -0.006 28.752 28.738 0.033 0.000 1.216 1219 Q HN 0.432 nan 8.270 nan 0.000 0.417 1220 V N 2.371 122.263 119.914 -0.036 0.000 2.455 1220 V HA 0.308 4.442 4.120 0.024 0.000 0.273 1220 V C 0.005 176.030 176.094 -0.116 0.000 1.045 1220 V CA -0.473 61.721 62.300 -0.176 0.000 0.976 1220 V CB 1.234 32.848 31.823 -0.347 0.000 0.993 1220 V HN 0.130 nan 8.190 nan 0.000 0.475 1221 V N 5.630 125.489 119.914 -0.092 0.000 2.513 1221 V HA 0.383 4.517 4.120 0.024 0.000 0.299 1221 V C 0.024 176.078 176.094 -0.067 0.000 1.035 1221 V CA -0.776 61.489 62.300 -0.059 0.000 0.889 1221 V CB 2.005 33.830 31.823 0.003 0.000 0.988 1221 V HN 0.577 nan 8.190 nan 0.000 0.440 1222 V N 5.724 125.587 119.914 -0.084 0.000 2.389 1222 V HA 0.230 4.364 4.120 0.024 0.000 0.264 1222 V C 0.444 176.526 176.094 -0.019 0.000 1.049 1222 V CA -0.452 61.811 62.300 -0.061 0.000 0.932 1222 V CB 0.844 32.612 31.823 -0.092 0.000 1.011 1222 V HN 0.722 nan 8.190 nan 0.000 0.475 1223 M N 5.782 125.389 119.600 0.011 0.000 2.252 1223 M HA 0.300 4.794 4.480 0.024 0.000 0.348 1223 M C 0.028 176.357 176.300 0.048 0.000 1.334 1223 M CA 0.527 55.846 55.300 0.032 0.000 1.071 1223 M CB -0.164 32.419 32.600 -0.028 0.000 1.763 1223 M HN 0.451 nan 8.290 nan 0.000 0.452 1224 K N 1.310 121.778 120.400 0.112 0.000 2.426 1224 K HA 0.527 4.861 4.320 0.024 0.000 0.251 1224 K C 0.243 176.903 176.600 0.100 0.000 0.941 1224 K CA -0.241 56.125 56.287 0.132 0.000 0.808 1224 K CB 2.104 34.769 32.500 0.274 0.000 1.265 1224 K HN 0.717 nan 8.250 nan 0.000 0.432 1225 S N -0.168 115.566 115.700 0.058 0.000 2.648 1225 S HA 0.209 4.693 4.470 0.024 0.000 0.270 1225 S C 0.136 174.745 174.600 0.015 0.000 1.080 1225 S CA -0.338 57.879 58.200 0.028 0.000 1.159 1225 S CB 0.504 63.700 63.200 -0.007 0.000 1.091 1225 S HN 0.497 nan 8.310 nan 0.000 0.605 1226 K N 1.530 121.945 120.400 0.025 0.000 2.307 1226 K HA 0.587 4.922 4.320 0.024 0.000 0.239 1226 K C -1.178 175.448 176.600 0.043 0.000 1.083 1226 K CA -0.946 55.351 56.287 0.016 0.000 0.913 1226 K CB 0.424 32.925 32.500 0.002 0.000 1.322 1226 K HN 0.410 nan 8.250 nan 0.000 0.514 1227 N N -0.627 118.090 118.700 0.030 0.000 2.225 1227 N HA 0.280 5.034 4.740 0.024 0.000 0.298 1227 N C -1.085 174.440 175.510 0.025 0.000 1.076 1227 N CA -0.553 52.525 53.050 0.047 0.000 0.792 1227 N CB 2.029 40.547 38.487 0.051 0.000 1.498 1227 N HN 0.667 nan 8.380 nan 0.000 0.474 1228 D N 0.449 120.866 120.400 0.027 0.000 3.740 1228 D HA -0.394 4.261 4.640 0.024 0.000 0.147 1228 D C 0.907 177.209 176.300 0.004 0.000 0.885 1228 D CA 2.820 56.829 54.000 0.015 0.000 1.051 1228 D CB -0.673 40.138 40.800 0.017 0.000 0.480 1228 D HN 0.872 nan 8.370 nan 0.000 0.469 1229 Q N -0.847 118.952 119.800 -0.001 0.000 2.473 1229 Q HA -0.323 4.031 4.340 0.024 0.000 0.238 1229 Q C 1.597 177.591 176.000 -0.010 0.000 1.088 1229 Q CA 3.379 59.178 55.803 -0.007 0.000 0.989 1229 Q CB -1.029 27.704 28.738 -0.008 0.000 0.972 1229 Q HN 1.002 nan 8.270 nan 0.000 0.543 1230 G N -1.953 106.842 108.800 -0.009 0.000 2.200 1230 G HA2 -0.122 3.852 3.960 0.024 0.000 0.145 1230 G HA3 -0.122 3.852 3.960 0.024 0.000 0.145 1230 G C -0.285 174.603 174.900 -0.020 0.000 1.021 1230 G CA -0.152 44.939 45.100 -0.015 0.000 0.720 1230 G HN 0.316 nan 8.290 nan 0.000 0.494 1231 I N 3.485 124.045 120.570 -0.017 0.000 2.664 1231 I HA 0.220 4.404 4.170 0.024 0.000 0.284 1231 I C 1.705 177.810 176.117 -0.020 0.000 1.154 1231 I CA 0.451 61.739 61.300 -0.019 0.000 1.402 1231 I CB 0.233 38.221 38.000 -0.019 0.000 1.395 1231 I HN 0.334 nan 8.210 nan 0.000 0.545 1232 T N 2.829 117.368 114.554 -0.024 0.000 2.680 1232 T HA 0.227 4.591 4.350 0.024 0.000 0.314 1232 T C -0.031 174.654 174.700 -0.025 0.000 1.045 1232 T CA -0.403 61.682 62.100 -0.024 0.000 1.025 1232 T CB 1.175 70.024 68.868 -0.032 0.000 1.000 1232 T HN 0.735 nan 8.240 nan 0.000 0.535 1233 N N -1.578 117.107 118.700 -0.025 0.000 4.107 1233 N HA 0.230 4.985 4.740 0.024 0.000 0.213 1233 N C -0.773 174.718 175.510 -0.032 0.000 1.216 1233 N CA -0.710 52.315 53.050 -0.042 0.000 0.925 1233 N CB 1.202 39.660 38.487 -0.048 0.000 1.541 1233 N HN 0.486 nan 8.380 nan 0.000 0.524 1234 K N 0.543 120.910 120.400 -0.055 0.000 2.402 1234 K HA 0.327 4.661 4.320 0.024 0.000 0.204 1234 K C -0.608 175.977 176.600 -0.025 0.000 1.056 1234 K CA -0.022 56.252 56.287 -0.022 0.000 1.069 1234 K CB 0.013 32.499 32.500 -0.022 0.000 0.888 1234 K HN 0.551 nan 8.250 nan 0.000 0.546 1235 C N 2.769 121.990 119.300 -0.131 0.000 2.540 1235 C HA 0.255 4.729 4.460 0.024 0.000 0.377 1235 C C 1.676 176.716 174.990 0.084 0.000 1.274 1235 C CA -0.511 58.376 59.018 -0.218 0.000 1.718 1235 C CB -0.209 27.048 27.740 -0.805 0.000 2.391 1235 C HN 0.262 nan 8.230 nan 0.000 0.565 1236 K N 2.215 122.804 120.400 0.315 0.000 2.214 1236 K HA 0.183 4.517 4.320 0.024 0.000 0.201 1236 K C 0.187 177.035 176.600 0.413 0.000 1.049 1236 K CA 0.938 57.443 56.287 0.363 0.000 0.978 1236 K CB 0.142 32.895 32.500 0.422 0.000 0.842 1236 K HN 0.640 nan 8.250 nan 0.000 0.474 1237 M N 2.116 122.002 119.600 0.477 0.000 2.023 1237 M HA 0.197 4.692 4.480 0.024 0.000 0.325 1237 M C -0.683 175.695 176.300 0.131 0.000 0.963 1237 M CA -0.635 54.829 55.300 0.273 0.000 0.928 1237 M CB 1.324 34.046 32.600 0.203 0.000 1.429 1237 M HN -0.158 nan 8.290 nan 0.000 0.404 1238 N N 3.266 121.811 118.700 -0.258 0.000 2.434 1238 N HA 0.456 5.210 4.740 0.024 0.000 0.272 1238 N C -1.738 173.626 175.510 -0.244 0.000 1.040 1238 N CA -0.426 52.254 53.050 -0.617 0.000 0.956 1238 N CB 0.959 38.867 38.487 -0.966 0.000 1.108 1238 N HN 0.575 nan 8.380 nan 0.000 0.481 1239 L N 2.810 123.943 121.223 -0.151 0.000 2.309 1239 L HA 0.486 4.841 4.340 0.024 0.000 0.282 1239 L C -0.662 176.165 176.870 -0.071 0.000 1.036 1239 L CA -0.076 54.724 54.840 -0.067 0.000 0.806 1239 L CB 1.069 43.128 42.059 -0.001 0.000 1.220 1239 L HN 0.551 nan 8.230 nan 0.000 0.429 1240 Q N 2.961 122.721 119.800 -0.067 0.000 2.375 1240 Q HA 0.360 4.715 4.340 0.024 0.000 0.271 1240 Q C -1.361 174.612 176.000 -0.045 0.000 1.074 1240 Q CA -0.957 54.808 55.803 -0.063 0.000 0.808 1240 Q CB 2.432 31.120 28.738 -0.082 0.000 1.327 1240 Q HN 0.750 nan 8.270 nan 0.000 0.441 1241 D N 0.799 121.181 120.400 -0.030 0.000 2.344 1241 D HA 0.017 4.671 4.640 0.024 0.000 0.244 1241 D C 0.145 176.434 176.300 -0.019 0.000 1.134 1241 D CA -0.364 53.625 54.000 -0.018 0.000 0.930 1241 D CB 0.668 41.463 40.800 -0.009 0.000 1.175 1241 D HN 0.304 nan 8.370 nan 0.000 0.437 1242 N N 0.493 119.188 118.700 -0.007 0.000 2.523 1242 N HA -0.079 4.675 4.740 0.024 0.000 0.208 1242 N C 0.136 175.652 175.510 0.009 0.000 1.313 1242 N CA 0.142 53.194 53.050 0.004 0.000 0.853 1242 N CB -0.277 38.223 38.487 0.021 0.000 1.090 1242 N HN 0.397 nan 8.380 nan 0.000 0.463 1243 N N -0.585 118.115 118.700 0.001 0.000 2.257 1243 N HA 0.097 4.851 4.740 0.024 0.000 0.200 1243 N C 1.049 176.559 175.510 -0.000 0.000 1.163 1243 N CA 0.773 53.825 53.050 0.004 0.000 0.891 1243 N CB 0.674 39.163 38.487 0.002 0.000 1.067 1243 N HN 0.254 nan 8.380 nan 0.000 0.497 1244 G N -0.158 108.636 108.800 -0.010 0.000 2.184 1244 G HA2 -0.216 3.758 3.960 0.024 0.000 0.206 1244 G HA3 -0.216 3.758 3.960 0.024 0.000 0.206 1244 G C -0.311 174.577 174.900 -0.020 0.000 0.995 1244 G CA -0.350 44.741 45.100 -0.015 0.000 0.651 1244 G HN 0.276 nan 8.290 nan 0.000 0.511 1245 N N 1.581 120.270 118.700 -0.017 0.000 2.513 1245 N HA 0.353 5.107 4.740 0.024 0.000 0.274 1245 N C -0.508 174.986 175.510 -0.027 0.000 1.189 1245 N CA -0.346 52.694 53.050 -0.018 0.000 0.975 1245 N CB 0.749 39.231 38.487 -0.009 0.000 1.157 1245 N HN 0.153 nan 8.380 nan 0.000 0.465 1246 D N 0.991 121.373 120.400 -0.031 0.000 2.423 1246 D HA 0.098 4.753 4.640 0.024 0.000 0.238 1246 D C 1.316 177.601 176.300 -0.024 0.000 1.142 1246 D CA 0.118 54.091 54.000 -0.046 0.000 0.884 1246 D CB 1.194 41.966 40.800 -0.047 0.000 1.199 1246 D HN 0.418 nan 8.370 nan 0.000 0.438 1247 I N -0.224 120.331 120.570 -0.025 0.000 3.196 1247 I HA 0.302 4.486 4.170 0.024 0.000 0.248 1247 I C 1.276 177.414 176.117 0.036 0.000 1.105 1247 I CA 0.177 61.480 61.300 0.006 0.000 1.482 1247 I CB 0.183 38.189 38.000 0.009 0.000 1.400 1247 I HN 0.447 nan 8.210 nan 0.000 0.464 1248 G N -0.158 108.665 108.800 0.037 0.000 2.451 1248 G HA2 0.434 4.409 3.960 0.024 0.000 0.292 1248 G HA3 0.434 4.409 3.960 0.024 0.000 0.292 1248 G C -1.758 173.211 174.900 0.115 0.000 1.427 1248 G CA -0.680 44.499 45.100 0.132 0.000 0.792 1248 G HN -0.126 nan 8.290 nan 0.000 0.498 1249 F N 0.025 120.121 119.950 0.243 0.000 2.382 1249 F HA 0.540 5.082 4.527 0.024 0.000 0.331 1249 F C 1.211 177.166 175.800 0.258 0.000 1.121 1249 F CA -0.256 57.870 58.000 0.211 0.000 1.183 1249 F CB 1.254 40.353 39.000 0.165 0.000 1.207 1249 F HN 0.137 nan 8.300 nan 0.000 0.555 1250 I N 2.255 123.083 120.570 0.429 0.000 2.416 1250 I HA 0.352 4.537 4.170 0.024 0.000 0.288 1250 I C 0.617 177.045 176.117 0.518 0.000 1.051 1250 I CA 0.462 61.990 61.300 0.380 0.000 1.375 1250 I CB 0.275 38.411 38.000 0.227 0.000 1.407 1250 I HN 0.733 nan 8.210 nan 0.000 0.516 1251 G N 5.945 115.056 108.800 0.519 0.000 2.933 1251 G HA2 0.621 4.596 3.960 0.024 0.000 0.203 1251 G HA3 0.621 4.596 3.960 0.024 0.000 0.203 1251 G C -1.498 173.732 174.900 0.549 0.000 1.170 1251 G CA -0.379 44.994 45.100 0.455 0.000 0.880 1251 G HN 0.478 nan 8.290 nan 0.000 0.573 1252 F N -0.218 119.902 119.950 0.285 0.000 2.588 1252 F HA 0.724 5.265 4.527 0.024 0.000 0.318 1252 F C -0.898 174.942 175.800 0.067 0.000 1.155 1252 F CA -1.396 56.714 58.000 0.184 0.000 0.967 1252 F CB 0.906 39.987 39.000 0.135 0.000 1.236 1252 F HN 0.734 nan 8.300 nan 0.000 0.455 1253 H N 3.875 123.018 119.070 0.122 0.000 2.683 1253 H HA 0.637 5.207 4.556 0.024 0.000 0.339 1253 H C -0.689 174.654 175.328 0.025 0.000 1.081 1253 H CA 0.426 56.416 56.048 -0.096 0.000 1.432 1253 H CB 0.985 30.665 29.762 -0.136 0.000 1.462 1253 H HN 0.881 nan 8.280 nan 0.000 0.557 1254 Q N 5.055 124.350 119.800 -0.842 0.000 3.163 1254 Q HA 0.005 4.359 4.340 0.024 0.000 0.182 1254 Q C -1.940 173.705 176.000 -0.591 0.000 0.996 1254 Q CA -0.254 54.955 55.803 -0.990 0.000 1.181 1254 Q CB -0.427 28.048 28.738 -0.438 0.000 1.908 1254 Q HN 0.860 nan 8.270 nan 0.000 0.577 1255 F N 2.488 122.330 119.950 -0.181 0.000 2.825 1255 F HA 0.384 4.925 4.527 0.024 0.000 0.322 1255 F C 0.987 176.758 175.800 -0.048 0.000 1.127 1255 F CA -0.265 57.696 58.000 -0.064 0.000 1.164 1255 F CB 0.593 39.578 39.000 -0.026 0.000 1.101 1255 F HN 0.342 nan 8.300 nan 0.000 0.529 1256 N N 0.248 118.929 118.700 -0.031 0.000 2.250 1256 N HA 0.060 4.814 4.740 0.024 0.000 0.190 1256 N C 0.817 176.337 175.510 0.018 0.000 1.116 1256 N CA 0.624 53.699 53.050 0.042 0.000 0.881 1256 N CB 0.285 38.843 38.487 0.118 0.000 1.006 1256 N HN 0.270 nan 8.380 nan 0.000 0.491 1257 N N -0.653 118.032 118.700 -0.025 0.000 2.601 1257 N HA -0.006 4.749 4.740 0.024 0.000 0.342 1257 N C -1.099 174.380 175.510 -0.052 0.000 0.589 1257 N CA -0.003 53.029 53.050 -0.030 0.000 1.513 1257 N CB 1.768 40.241 38.487 -0.022 0.000 1.677 1257 N HN -0.177 nan 8.380 nan 0.000 1.796 1258 I N 1.181 121.700 120.570 -0.084 0.000 2.612 1258 I HA 0.304 4.488 4.170 0.024 0.000 0.273 1258 I C -0.749 175.341 176.117 -0.044 0.000 1.266 1258 I CA -0.551 60.707 61.300 -0.070 0.000 1.125 1258 I CB 1.429 39.368 38.000 -0.102 0.000 1.382 1258 I HN 0.551 nan 8.210 nan 0.000 0.463 1259 A N 6.762 129.573 122.820 -0.015 0.000 3.052 1259 A HA 0.083 4.417 4.320 0.024 0.000 0.285 1259 A C 0.736 178.406 177.584 0.142 0.000 1.928 1259 A CA 0.359 52.389 52.037 -0.012 0.000 1.453 1259 A CB -0.605 18.278 19.000 -0.195 0.000 0.970 1259 A HN 0.600 nan 8.150 nan 0.000 0.603 1260 K N 0.584 121.080 120.400 0.159 0.000 2.276 1260 K HA 0.380 4.714 4.320 0.024 0.000 0.259 1260 K C -0.267 176.523 176.600 0.317 0.000 1.001 1260 K CA -0.093 56.344 56.287 0.251 0.000 0.927 1260 K CB 0.568 33.118 32.500 0.083 0.000 0.969 1260 K HN 0.573 nan 8.250 nan 0.000 0.490 1261 L N 2.669 124.095 121.223 0.338 0.000 2.292 1261 L HA 0.345 4.699 4.340 0.024 0.000 0.284 1261 L C -0.211 176.827 176.870 0.280 0.000 1.065 1261 L CA -0.870 54.185 54.840 0.358 0.000 0.806 1261 L CB 1.012 43.276 42.059 0.342 0.000 1.175 1261 L HN 0.379 nan 8.230 nan 0.000 0.431 1262 V N 0.181 120.272 119.914 0.295 0.000 2.823 1262 V HA 0.824 4.958 4.120 0.024 0.000 0.312 1262 V C 0.009 176.258 176.094 0.259 0.000 1.072 1262 V CA -0.957 61.475 62.300 0.220 0.000 0.937 1262 V CB 1.692 33.606 31.823 0.153 0.000 1.013 1262 V HN 0.787 nan 8.190 nan 0.000 0.430 1263 A N 2.248 125.183 122.820 0.193 0.000 2.354 1263 A HA 0.721 5.055 4.320 0.024 0.000 0.281 1263 A C 0.272 177.967 177.584 0.185 0.000 1.174 1263 A CA 0.048 52.208 52.037 0.205 0.000 0.828 1263 A CB 0.458 19.534 19.000 0.127 0.000 1.099 1263 A HN 1.388 nan 8.150 nan 0.000 0.516 1264 S N 1.987 117.852 115.700 0.276 0.000 2.707 1264 S HA 0.216 4.701 4.470 0.024 0.000 0.303 1264 S C 0.861 175.598 174.600 0.228 0.000 1.132 1264 S CA -0.715 57.582 58.200 0.163 0.000 1.046 1264 S CB 0.547 63.721 63.200 -0.043 0.000 1.004 1264 S HN 0.838 nan 8.310 nan 0.000 0.483 1265 N N 3.037 121.831 118.700 0.158 0.000 2.364 1265 N HA -0.131 4.623 4.740 0.024 0.000 0.183 1265 N C 1.361 176.984 175.510 0.187 0.000 1.022 1265 N CA 0.990 54.138 53.050 0.162 0.000 0.883 1265 N CB -0.078 38.467 38.487 0.097 0.000 0.965 1265 N HN 0.882 nan 8.380 nan 0.000 0.438 1266 W N 0.870 122.124 121.300 -0.076 0.000 2.374 1266 W HA -0.177 4.497 4.660 0.024 0.000 0.288 1266 W C 1.316 177.787 176.519 -0.079 0.000 1.218 1266 W CA 1.137 58.405 57.345 -0.128 0.000 1.245 1266 W CB -0.364 28.944 29.460 -0.254 0.000 1.126 1266 W HN 0.097 nan 8.180 nan 0.000 0.545 1267 Y N 1.095 121.599 120.300 0.340 0.000 2.049 1267 Y HA -0.379 4.185 4.550 0.024 0.000 0.277 1267 Y C 2.422 178.340 175.900 0.029 0.000 1.143 1267 Y CA 1.861 60.048 58.100 0.145 0.000 1.115 1267 Y CB -1.210 37.395 38.460 0.243 0.000 0.975 1267 Y HN -0.078 nan 8.280 nan 0.000 0.487 1268 N N -0.075 118.895 118.700 0.450 0.000 2.111 1268 N HA -0.232 4.522 4.740 0.024 0.000 0.197 1268 N C 1.628 177.198 175.510 0.100 0.000 1.011 1268 N CA 1.672 54.939 53.050 0.360 0.000 0.880 1268 N CB -0.300 38.357 38.487 0.284 0.000 1.031 1268 N HN 0.161 nan 8.380 nan 0.000 0.444 1269 R N 0.448 120.935 120.500 -0.023 0.000 2.075 1269 R HA 0.052 4.406 4.340 0.024 0.000 0.232 1269 R C 2.050 178.210 176.300 -0.232 0.000 1.126 1269 R CA 0.923 56.941 56.100 -0.137 0.000 0.963 1269 R CB -0.684 29.494 30.300 -0.204 0.000 0.858 1269 R HN 0.428 nan 8.270 nan 0.000 0.435 1270 Q N 0.396 119.960 119.800 -0.394 0.000 2.124 1270 Q HA -0.029 4.325 4.340 0.024 0.000 0.202 1270 Q C 2.283 178.149 176.000 -0.224 0.000 0.977 1270 Q CA 1.119 56.650 55.803 -0.453 0.000 0.850 1270 Q CB -0.184 28.090 28.738 -0.773 0.000 0.901 1270 Q HN 0.352 nan 8.270 nan 0.000 0.429 1271 I N 0.937 121.418 120.570 -0.147 0.000 2.286 1271 I HA -0.238 3.946 4.170 0.024 0.000 0.248 1271 I C 2.161 178.233 176.117 -0.074 0.000 1.115 1271 I CA 0.849 62.082 61.300 -0.111 0.000 1.392 1271 I CB -0.223 37.697 38.000 -0.132 0.000 1.065 1271 I HN 0.059 nan 8.210 nan 0.000 0.418 1272 E N 1.134 121.300 120.200 -0.057 0.000 2.147 1272 E HA -0.253 4.112 4.350 0.024 0.000 0.199 1272 E C 2.080 178.648 176.600 -0.054 0.000 1.005 1272 E CA 1.445 57.820 56.400 -0.042 0.000 0.810 1272 E CB -0.302 29.378 29.700 -0.034 0.000 0.736 1272 E HN 0.607 nan 8.360 nan 0.000 0.460 1273 R N -0.443 120.009 120.500 -0.079 0.000 2.362 1273 R HA 0.238 4.592 4.340 0.024 0.000 0.227 1273 R C 0.426 176.689 176.300 -0.062 0.000 0.905 1273 R CA 0.103 56.161 56.100 -0.071 0.000 1.067 1273 R CB 0.599 30.849 30.300 -0.083 0.000 1.078 1273 R HN -0.050 nan 8.270 nan 0.000 0.516 1274 S N -1.289 114.372 115.700 -0.065 0.000 2.578 1274 S HA 0.214 4.698 4.470 0.024 0.000 0.272 1274 S C -0.734 173.838 174.600 -0.046 0.000 1.145 1274 S CA -0.620 57.553 58.200 -0.046 0.000 0.835 1274 S CB 1.850 65.027 63.200 -0.038 0.000 1.104 1274 S HN 0.046 nan 8.310 nan 0.000 0.458 1275 S N 0.848 116.530 115.700 -0.031 0.000 2.539 1275 S HA 0.261 4.746 4.470 0.024 0.000 0.221 1275 S C 0.733 175.319 174.600 -0.022 0.000 0.987 1275 S CA -0.327 57.853 58.200 -0.032 0.000 0.929 1275 S CB -0.240 62.946 63.200 -0.024 0.000 0.832 1275 S HN 0.663 nan 8.310 nan 0.000 0.492 1276 R N 1.751 122.247 120.500 -0.006 0.000 2.678 1276 R HA -0.016 4.339 4.340 0.024 0.000 0.264 1276 R C -0.573 175.743 176.300 0.026 0.000 0.995 1276 R CA 0.655 56.766 56.100 0.018 0.000 1.098 1276 R CB 0.059 30.386 30.300 0.045 0.000 0.949 1276 R HN 0.091 nan 8.270 nan 0.000 0.422 1277 T N 4.906 119.483 114.554 0.038 0.000 2.908 1277 T HA 0.177 4.541 4.350 0.024 0.000 0.301 1277 T C 0.185 174.996 174.700 0.184 0.000 1.019 1277 T CA 0.195 62.329 62.100 0.056 0.000 1.152 1277 T CB 0.242 69.129 68.868 0.031 0.000 0.966 1277 T HN 0.379 nan 8.240 nan 0.000 0.540 1278 L N 1.129 122.407 121.223 0.093 0.000 2.250 1278 L HA 0.610 4.964 4.340 0.024 0.000 0.252 1278 L C 1.719 178.449 176.870 -0.234 0.000 1.054 1278 L CA -1.139 53.715 54.840 0.024 0.000 0.856 1278 L CB 1.196 43.224 42.059 -0.051 0.000 1.443 1278 L HN 0.743 nan 8.230 nan 0.000 0.427 1279 G N -0.880 107.584 108.800 -0.559 0.000 2.776 1279 G HA2 -0.090 3.884 3.960 0.024 0.000 0.209 1279 G HA3 -0.090 3.884 3.960 0.024 0.000 0.209 1279 G C 0.810 175.276 174.900 -0.724 0.000 1.145 1279 G CA 0.716 45.356 45.100 -0.767 0.000 0.791 1279 G HN 0.741 nan 8.290 nan 0.000 0.530 1280 C N -0.743 118.037 119.300 -0.866 0.000 3.104 1280 C HA 0.493 4.967 4.460 0.024 0.000 0.284 1280 C C 0.906 175.650 174.990 -0.410 0.000 1.326 1280 C CA -1.082 57.560 59.018 -0.627 0.000 1.725 1280 C CB -0.800 26.416 27.740 -0.873 0.000 2.156 1280 C HN 0.079 nan 8.230 nan 0.000 0.638 1281 S N 1.627 117.039 115.700 -0.481 0.000 2.494 1281 S HA 0.344 4.828 4.470 0.024 0.000 0.312 1281 S C -0.816 173.530 174.600 -0.424 0.000 1.121 1281 S CA 0.009 58.026 58.200 -0.305 0.000 1.068 1281 S CB -0.291 62.794 63.200 -0.192 0.000 1.141 1281 S HN 0.676 nan 8.310 nan 0.000 0.527 1282 W N 1.536 122.789 121.300 -0.078 0.000 2.578 1282 W HA 0.622 5.296 4.660 0.024 0.000 0.353 1282 W C 0.470 176.919 176.519 -0.117 0.000 1.088 1282 W CA -0.846 56.412 57.345 -0.145 0.000 1.235 1282 W CB 0.836 30.138 29.460 -0.263 0.000 1.362 1282 W HN 0.368 nan 8.180 nan 0.000 0.592 1283 E N 0.742 120.987 120.200 0.076 0.000 2.248 1283 E HA 0.436 4.800 4.350 0.024 0.000 0.267 1283 E C -1.638 174.894 176.600 -0.113 0.000 0.877 1283 E CA -0.815 55.626 56.400 0.068 0.000 0.759 1283 E CB 1.132 30.921 29.700 0.148 0.000 1.182 1283 E HN 0.169 nan 8.360 nan 0.000 0.418 1284 F N 3.929 123.803 119.950 -0.127 0.000 2.390 1284 F HA 0.377 4.918 4.527 0.024 0.000 0.361 1284 F C 0.061 175.779 175.800 -0.136 0.000 1.124 1284 F CA -0.366 57.472 58.000 -0.270 0.000 1.149 1284 F CB 0.416 38.920 39.000 -0.827 0.000 1.160 1284 F HN 0.272 nan 8.300 nan 0.000 0.501 1285 I N 6.728 127.398 120.570 0.167 0.000 2.312 1285 I HA 0.306 4.490 4.170 0.024 0.000 0.290 1285 I C -2.259 174.203 176.117 0.575 0.000 1.008 1285 I CA -2.052 59.349 61.300 0.168 0.000 1.226 1285 I CB 1.470 39.379 38.000 -0.152 0.000 1.371 1285 I HN 0.289 nan 8.210 nan 0.000 0.468 1286 P HA 0.223 nan 4.420 nan 0.000 0.285 1286 P C -0.367 177.304 177.300 0.618 0.000 1.269 1286 P CA -0.471 62.970 63.100 0.570 0.000 0.844 1286 P CB 1.411 33.437 31.700 0.542 0.000 1.094 1287 V N 1.848 121.910 119.914 0.247 0.000 2.763 1287 V HA 0.070 4.205 4.120 0.024 0.000 0.306 1287 V C 0.422 176.682 176.094 0.277 0.000 1.059 1287 V CA 1.130 63.495 62.300 0.108 0.000 1.138 1287 V CB -0.138 31.599 31.823 -0.143 0.000 0.940 1287 V HN 0.703 nan 8.190 nan 0.000 0.489 1288 D N 1.977 122.569 120.400 0.319 0.000 2.891 1288 D HA 0.305 4.959 4.640 0.024 0.000 0.224 1288 D C 0.325 176.715 176.300 0.150 0.000 1.321 1288 D CA -0.515 53.532 54.000 0.079 0.000 0.929 1288 D CB 1.551 42.119 40.800 -0.387 0.000 1.551 1288 D HN 0.459 nan 8.370 nan 0.000 0.574 1289 D N 2.182 122.674 120.400 0.153 0.000 2.254 1289 D HA -0.123 4.532 4.640 0.024 0.000 0.201 1289 D C 2.092 178.545 176.300 0.256 0.000 0.998 1289 D CA 1.470 55.582 54.000 0.187 0.000 0.885 1289 D CB -0.040 40.868 40.800 0.180 0.000 0.915 1289 D HN 0.581 nan 8.370 nan 0.000 0.460 1290 G N -0.845 108.084 108.800 0.215 0.000 2.484 1290 G HA2 -0.208 3.767 3.960 0.024 0.000 0.218 1290 G HA3 -0.208 3.767 3.960 0.024 0.000 0.218 1290 G C 1.252 176.241 174.900 0.148 0.000 1.130 1290 G CA 0.237 45.436 45.100 0.164 0.000 0.784 1290 G HN 0.348 nan 8.290 nan 0.000 0.543 1291 W N 0.297 121.545 121.300 -0.087 0.000 2.699 1291 W HA 0.203 4.877 4.660 0.023 0.000 0.267 1291 W C 1.621 178.228 176.519 0.147 0.000 1.182 1291 W CA 0.836 58.150 57.345 -0.051 0.000 1.453 1291 W CB 0.298 29.723 29.460 -0.057 0.000 1.054 1291 W HN 0.375 nan 8.180 nan 0.000 0.595 1292 G N 2.220 111.176 108.800 0.260 0.000 2.166 1292 G HA2 -0.382 3.593 3.960 0.024 0.000 0.260 1292 G HA3 -0.382 3.593 3.960 0.024 0.000 0.260 1292 G C 0.194 175.123 174.900 0.048 0.000 0.986 1292 G CA 0.667 45.866 45.100 0.165 0.000 0.683 1292 G HN 0.509 nan 8.290 nan 0.000 0.527 1293 E N -0.091 120.045 120.200 -0.107 0.000 2.437 1293 E HA 0.322 4.686 4.350 0.024 0.000 0.263 1293 E C 0.577 177.299 176.600 0.204 0.000 1.030 1293 E CA -0.395 55.957 56.400 -0.080 0.000 0.934 1293 E CB 0.343 29.898 29.700 -0.241 0.000 0.943 1293 E HN 0.344 nan 8.360 nan 0.000 0.444 1294 R N 4.103 124.698 120.500 0.157 0.000 2.265 1294 R HA 0.369 4.723 4.340 0.024 0.000 0.319 1294 R C -2.211 174.216 176.300 0.212 0.000 1.006 1294 R CA -1.273 54.938 56.100 0.186 0.000 0.880 1294 R CB 0.835 31.197 30.300 0.103 0.000 1.077 1294 R HN 0.474 nan 8.270 nan 0.000 0.454 1295 P HA 0.000 nan 4.420 nan 0.000 0.216 1295 P CA 0.000 63.211 63.100 0.184 0.000 0.800 1295 P CB 0.000 31.809 31.700 0.183 0.000 0.726