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 2nyy_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 0.000 177.252 177.300 -0.080 0.000 1.155 2 P CA 0.000 63.135 63.100 0.058 0.000 0.800 2 P CB 0.000 31.834 31.700 0.223 0.000 0.726 3 F N 1.448 121.188 119.950 -0.350 0.000 2.206 3 F HA 0.169 4.687 4.527 -0.016 0.000 0.298 3 F C 0.394 176.071 175.800 -0.204 0.000 1.090 3 F CA 0.987 58.623 58.000 -0.607 0.000 1.323 3 F CB 0.448 38.922 39.000 -0.877 0.000 1.028 3 F HN -0.301 nan 8.300 nan 0.000 0.492 4 V N 1.832 121.659 119.914 -0.145 0.000 2.350 4 V HA 0.191 4.302 4.120 -0.015 0.000 0.285 4 V C 0.101 176.100 176.094 -0.159 0.000 1.014 4 V CA -0.669 61.525 62.300 -0.177 0.000 0.831 4 V CB 1.218 33.006 31.823 -0.058 0.000 1.000 4 V HN 0.100 nan 8.190 nan 0.000 0.433 5 N N 2.659 121.240 118.700 -0.198 0.000 2.300 5 N HA 0.015 4.746 4.740 -0.015 0.000 0.179 5 N C 0.478 175.853 175.510 -0.226 0.000 1.016 5 N CA 0.939 53.881 53.050 -0.179 0.000 0.876 5 N CB 0.135 38.520 38.487 -0.169 0.000 0.979 5 N HN 0.602 nan 8.380 nan 0.000 0.432 6 K N 1.278 121.467 120.400 -0.352 0.000 2.201 6 K HA 0.158 4.469 4.320 -0.015 0.000 0.278 6 K C -0.054 176.212 176.600 -0.556 0.000 1.027 6 K CA -0.460 55.491 56.287 -0.560 0.000 0.909 6 K CB 1.466 33.356 32.500 -1.016 0.000 1.062 6 K HN 0.106 nan 8.250 nan 0.000 0.465 7 Q N 1.981 121.554 119.800 -0.378 0.000 2.394 7 Q HA -0.082 4.248 4.340 -0.015 0.000 0.347 7 Q C -1.087 174.572 176.000 -0.569 0.000 1.144 7 Q CA 1.020 56.634 55.803 -0.315 0.000 1.050 7 Q CB 0.306 28.940 28.738 -0.173 0.000 1.188 7 Q HN 0.384 nan 8.270 nan 0.000 0.406 8 F N 1.613 121.536 119.950 -0.045 0.000 2.593 8 F HA 0.456 4.973 4.527 -0.016 0.000 0.320 8 F C 0.187 175.959 175.800 -0.046 0.000 1.060 8 F CA -1.042 56.940 58.000 -0.030 0.000 0.940 8 F CB 1.809 40.770 39.000 -0.064 0.000 1.268 8 F HN 0.462 nan 8.300 nan 0.000 0.475 9 N N 0.783 119.624 118.700 0.235 0.000 2.314 9 N HA 0.102 4.833 4.740 -0.015 0.000 0.304 9 N C 0.083 175.708 175.510 0.191 0.000 1.073 9 N CA -0.602 52.539 53.050 0.152 0.000 0.822 9 N CB 1.910 40.471 38.487 0.124 0.000 1.280 9 N HN 0.689 nan 8.380 nan 0.000 0.489 10 Y N 2.228 122.547 120.300 0.031 0.000 2.207 10 Y HA -0.119 4.422 4.550 -0.015 0.000 0.287 10 Y C 1.809 177.839 175.900 0.216 0.000 1.156 10 Y CA 1.818 59.992 58.100 0.124 0.000 1.182 10 Y CB 0.160 38.652 38.460 0.055 0.000 0.979 10 Y HN 0.478 nan 8.280 nan 0.000 0.521 11 K N 0.218 120.685 120.400 0.112 0.000 2.439 11 K HA -0.069 4.241 4.320 -0.015 0.000 0.197 11 K C -0.013 176.595 176.600 0.013 0.000 1.041 11 K CA 0.372 56.675 56.287 0.028 0.000 0.970 11 K CB -0.163 32.389 32.500 0.087 0.000 0.773 11 K HN 0.226 nan 8.250 nan 0.000 0.479 12 D N 2.434 122.881 120.400 0.078 0.000 2.525 12 D HA -0.017 4.614 4.640 -0.015 0.000 0.235 12 D C -2.300 173.998 176.300 -0.004 0.000 1.137 12 D CA -0.955 53.097 54.000 0.086 0.000 0.868 12 D CB 0.588 41.514 40.800 0.209 0.000 1.180 12 D HN 0.080 nan 8.370 nan 0.000 0.465 13 P HA 0.045 nan 4.420 nan 0.000 0.285 13 P C -0.258 177.001 177.300 -0.069 0.000 1.259 13 P CA -0.629 62.448 63.100 -0.039 0.000 0.794 13 P CB 0.720 32.418 31.700 -0.004 0.000 0.940 14 V N 0.749 120.596 119.914 -0.112 0.000 2.790 14 V HA -0.061 4.050 4.120 -0.015 0.000 0.304 14 V C 0.948 177.017 176.094 -0.041 0.000 1.142 14 V CA 0.630 62.862 62.300 -0.113 0.000 1.282 14 V CB -1.045 30.763 31.823 -0.025 0.000 0.877 14 V HN 0.822 nan 8.190 nan 0.000 0.504 15 N N 1.561 120.238 118.700 -0.039 0.000 2.143 15 N HA 0.332 5.063 4.740 -0.015 0.000 0.229 15 N C 1.085 176.601 175.510 0.012 0.000 1.294 15 N CA 0.453 53.501 53.050 -0.004 0.000 0.883 15 N CB 0.988 39.477 38.487 0.004 0.000 1.148 15 N HN 1.607 nan 8.380 nan 0.000 0.511 16 G N -0.520 108.292 108.800 0.020 0.000 2.267 16 G HA2 -0.342 3.609 3.960 -0.015 0.000 0.257 16 G HA3 -0.342 3.609 3.960 -0.015 0.000 0.257 16 G C 0.608 175.557 174.900 0.081 0.000 0.998 16 G CA 0.818 45.947 45.100 0.049 0.000 0.620 16 G HN 0.271 nan 8.290 nan 0.000 0.529 17 V N 0.928 120.879 119.914 0.062 0.000 3.050 17 V HA 0.242 4.353 4.120 -0.015 0.000 0.223 17 V C 1.851 177.965 176.094 0.033 0.000 1.162 17 V CA 2.108 64.445 62.300 0.062 0.000 1.247 17 V CB 0.190 32.026 31.823 0.022 0.000 1.125 17 V HN 0.483 nan 8.190 nan 0.000 0.508 18 D N -0.801 119.565 120.400 -0.056 0.000 2.469 18 D HA 0.230 4.861 4.640 -0.015 0.000 0.213 18 D C 0.109 176.212 176.300 -0.327 0.000 1.135 18 D CA 0.167 54.021 54.000 -0.243 0.000 0.834 18 D CB 0.215 40.931 40.800 -0.140 0.000 1.009 18 D HN 0.428 nan 8.370 nan 0.000 0.507 19 I N 0.732 121.173 120.570 -0.215 0.000 2.478 19 I HA 0.725 4.886 4.170 -0.015 0.000 0.287 19 I C -0.947 175.021 176.117 -0.247 0.000 1.042 19 I CA -1.038 60.017 61.300 -0.407 0.000 1.067 19 I CB 2.088 39.837 38.000 -0.418 0.000 1.233 19 I HN 0.053 nan 8.210 nan 0.000 0.431 20 A N 4.807 127.460 122.820 -0.279 0.000 2.594 20 A HA 0.647 4.957 4.320 -0.015 0.000 0.296 20 A C -1.798 175.643 177.584 -0.238 0.000 1.061 20 A CA -0.496 51.460 52.037 -0.135 0.000 0.689 20 A CB 0.932 19.959 19.000 0.045 0.000 1.280 20 A HN 0.545 nan 8.150 nan 0.000 0.406 21 Y N 1.737 121.956 120.300 -0.135 0.000 2.402 21 Y HA 0.469 5.010 4.550 -0.015 0.000 0.333 21 Y C 0.932 176.746 175.900 -0.144 0.000 1.076 21 Y CA 0.753 58.775 58.100 -0.131 0.000 1.299 21 Y CB 0.688 39.081 38.460 -0.112 0.000 1.197 21 Y HN 0.679 nan 8.280 nan 0.000 0.517 22 I N -0.243 120.300 120.570 -0.045 0.000 3.067 22 I HA 0.706 4.867 4.170 -0.015 0.000 0.312 22 I C -1.122 174.900 176.117 -0.159 0.000 1.073 22 I CA -1.364 59.843 61.300 -0.155 0.000 1.016 22 I CB 2.563 40.376 38.000 -0.313 0.000 1.227 22 I HN 0.340 nan 8.210 nan 0.000 0.456 23 K N 2.051 122.332 120.400 -0.198 0.000 2.395 23 K HA 0.719 5.030 4.320 -0.015 0.000 0.247 23 K C -1.443 175.039 176.600 -0.196 0.000 0.973 23 K CA -0.840 55.321 56.287 -0.211 0.000 0.828 23 K CB 2.780 35.140 32.500 -0.234 0.000 1.272 23 K HN 0.572 nan 8.250 nan 0.000 0.439 24 I N 1.837 122.291 120.570 -0.193 0.000 3.042 24 I HA 0.332 4.493 4.170 -0.015 0.000 0.310 24 I C -2.360 173.597 176.117 -0.267 0.000 1.117 24 I CA -2.807 58.397 61.300 -0.161 0.000 1.003 24 I CB 2.511 40.458 38.000 -0.088 0.000 1.228 24 I HN 0.358 nan 8.210 nan 0.000 0.443 25 P HA 0.024 nan 4.420 nan 0.000 0.264 25 P C -1.277 175.697 177.300 -0.544 0.000 1.183 25 P CA 0.344 63.013 63.100 -0.719 0.000 0.763 25 P CB 0.261 31.040 31.700 -1.535 0.000 0.807 26 N N 1.395 119.927 118.700 -0.280 0.000 2.484 26 N HA 0.212 4.943 4.740 -0.015 0.000 0.269 26 N C -1.656 173.841 175.510 -0.023 0.000 1.237 26 N CA -0.555 52.455 53.050 -0.067 0.000 0.838 26 N CB 1.863 40.307 38.487 -0.071 0.000 1.593 26 N HN -0.089 nan 8.380 nan 0.000 0.485 27 V N 2.590 122.530 119.914 0.043 0.000 2.408 27 V HA 0.423 4.534 4.120 -0.015 0.000 0.267 27 V C 1.420 177.517 176.094 0.006 0.000 1.047 27 V CA 0.692 63.009 62.300 0.030 0.000 0.937 27 V CB -0.080 31.774 31.823 0.052 0.000 0.999 27 V HN 0.999 nan 8.190 nan 0.000 0.472 28 G N 5.099 113.891 108.800 -0.013 0.000 2.578 28 G HA2 -0.222 3.728 3.960 -0.015 0.000 0.275 28 G HA3 -0.222 3.728 3.960 -0.015 0.000 0.275 28 G C -0.133 174.743 174.900 -0.039 0.000 1.271 28 G CA -0.241 44.845 45.100 -0.024 0.000 0.941 28 G HN 0.649 nan 8.290 nan 0.000 0.564 29 Q N 0.382 120.158 119.800 -0.040 0.000 2.261 29 Q HA 0.562 4.893 4.340 -0.015 0.000 0.252 29 Q C 0.578 176.543 176.000 -0.059 0.000 0.915 29 Q CA 0.118 55.886 55.803 -0.059 0.000 0.915 29 Q CB 1.358 30.063 28.738 -0.055 0.000 1.204 29 Q HN 0.786 nan 8.270 nan 0.000 0.421 30 M N 1.569 121.113 119.600 -0.092 0.000 2.572 30 M HA 0.435 4.906 4.480 -0.015 0.000 0.299 30 M C -1.110 175.103 176.300 -0.145 0.000 1.205 30 M CA -0.799 54.433 55.300 -0.114 0.000 0.876 30 M CB 2.379 34.889 32.600 -0.150 0.000 1.728 30 M HN 0.484 nan 8.290 nan 0.000 0.458 31 Q N 2.378 122.087 119.800 -0.151 0.000 2.222 31 Q HA 0.690 5.021 4.340 -0.015 0.000 0.252 31 Q C -2.725 173.166 176.000 -0.181 0.000 0.926 31 Q CA -1.874 53.840 55.803 -0.149 0.000 0.899 31 Q CB 1.274 29.946 28.738 -0.110 0.000 1.250 31 Q HN 0.491 nan 8.270 nan 0.000 0.441 32 P HA 0.030 nan 4.420 nan 0.000 0.272 32 P C -0.587 176.709 177.300 -0.006 0.000 1.223 32 P CA -0.221 62.814 63.100 -0.108 0.000 0.784 32 P CB 0.959 32.612 31.700 -0.079 0.000 0.923 33 V N -1.441 118.485 119.914 0.019 0.000 2.914 33 V HA 0.542 4.653 4.120 -0.015 0.000 0.314 33 V C -0.139 175.990 176.094 0.058 0.000 1.084 33 V CA -1.393 60.965 62.300 0.097 0.000 0.963 33 V CB 1.870 33.674 31.823 -0.031 0.000 1.025 33 V HN 0.427 nan 8.190 nan 0.000 0.432 34 K N 1.947 122.305 120.400 -0.069 0.000 2.297 34 K HA 0.738 5.049 4.320 -0.015 0.000 0.286 34 K C -0.228 176.277 176.600 -0.158 0.000 1.053 34 K CA 0.315 56.325 56.287 -0.461 0.000 0.940 34 K CB 0.870 32.971 32.500 -0.666 0.000 1.019 34 K HN 1.246 nan 8.250 nan 0.000 0.475 35 A N 3.851 126.519 122.820 -0.254 0.000 2.515 35 A HA 0.763 5.074 4.320 -0.015 0.000 0.296 35 A C -1.684 175.803 177.584 -0.163 0.000 1.094 35 A CA -0.780 51.301 52.037 0.073 0.000 0.718 35 A CB 0.798 19.948 19.000 0.250 0.000 1.307 35 A HN 0.570 nan 8.150 nan 0.000 0.408 36 F N 0.446 120.422 119.950 0.044 0.000 2.539 36 F HA 0.481 4.999 4.527 -0.016 0.000 0.318 36 F C 0.282 175.753 175.800 -0.548 0.000 1.135 36 F CA -0.649 57.098 58.000 -0.423 0.000 0.915 36 F CB 2.346 40.919 39.000 -0.711 0.000 1.176 36 F HN 0.541 nan 8.300 nan 0.000 0.440 37 K N 4.996 124.851 120.400 -0.909 0.000 2.250 37 K HA 0.312 4.623 4.320 -0.015 0.000 0.285 37 K C 1.101 177.387 176.600 -0.523 0.000 1.097 37 K CA -0.130 55.388 56.287 -1.282 0.000 0.913 37 K CB 0.326 31.698 32.500 -1.879 0.000 1.179 37 K HN 0.885 nan 8.250 nan 0.000 0.462 38 I N 0.672 121.050 120.570 -0.320 0.000 2.876 38 I HA 0.095 4.255 4.170 -0.015 0.000 0.264 38 I C 0.378 176.377 176.117 -0.197 0.000 1.204 38 I CA 0.444 61.681 61.300 -0.105 0.000 1.485 38 I CB 0.019 37.939 38.000 -0.133 0.000 1.103 38 I HN 0.532 nan 8.210 nan 0.000 0.446 39 H N 1.395 120.226 119.070 -0.399 0.000 3.064 39 H HA 0.227 4.774 4.556 -0.015 0.000 0.352 39 H C -1.018 174.134 175.328 -0.294 0.000 1.260 39 H CA -0.826 54.962 56.048 -0.435 0.000 1.160 39 H CB 1.797 31.171 29.762 -0.648 0.000 1.879 39 H HN 0.067 nan 8.280 nan 0.000 0.544 40 N N 2.852 121.242 118.700 -0.516 0.000 2.131 40 N HA -0.151 4.580 4.740 -0.015 0.000 0.276 40 N C 0.232 175.766 175.510 0.040 0.000 1.295 40 N CA 1.069 53.995 53.050 -0.208 0.000 0.818 40 N CB 0.290 38.643 38.487 -0.223 0.000 1.049 40 N HN 0.611 nan 8.380 nan 0.000 0.484 41 K N 0.484 120.934 120.400 0.085 0.000 3.426 41 K HA -0.214 4.097 4.320 -0.015 0.000 0.315 41 K C -0.579 176.154 176.600 0.222 0.000 1.293 41 K CA 1.062 57.461 56.287 0.187 0.000 0.955 41 K CB -2.082 30.522 32.500 0.174 0.000 1.238 41 K HN 0.629 nan 8.250 nan 0.000 0.441 42 I N -0.237 120.409 120.570 0.127 0.000 2.466 42 I HA 0.412 4.573 4.170 -0.015 0.000 0.289 42 I C -0.416 175.704 176.117 0.004 0.000 1.026 42 I CA -0.768 60.612 61.300 0.133 0.000 1.078 42 I CB 1.309 39.357 38.000 0.080 0.000 1.249 42 I HN -0.090 nan 8.210 nan 0.000 0.429 43 W N 4.747 126.062 121.300 0.025 0.000 2.882 43 W HA 0.757 5.408 4.660 -0.016 0.000 0.345 43 W C -1.015 175.556 176.519 0.087 0.000 1.125 43 W CA -0.740 56.630 57.345 0.041 0.000 1.167 43 W CB 1.629 31.117 29.460 0.047 0.000 1.431 43 W HN -0.031 nan 8.180 nan 0.000 0.543 44 V N 3.345 123.488 119.914 0.381 0.000 2.656 44 V HA 0.500 4.611 4.120 -0.015 0.000 0.307 44 V C -0.539 175.796 176.094 0.402 0.000 1.051 44 V CA -1.021 61.490 62.300 0.351 0.000 0.893 44 V CB 1.879 33.868 31.823 0.278 0.000 0.999 44 V HN 0.375 nan 8.190 nan 0.000 0.426 45 I N 5.547 126.325 120.570 0.346 0.000 2.537 45 I HA 0.315 4.476 4.170 -0.015 0.000 0.276 45 I C -2.467 173.722 176.117 0.119 0.000 1.063 45 I CA -1.699 59.774 61.300 0.288 0.000 1.144 45 I CB 2.080 40.263 38.000 0.305 0.000 1.252 45 I HN 0.430 nan 8.210 nan 0.000 0.480 46 P HA 0.125 nan 4.420 nan 0.000 0.241 46 P C -0.558 176.520 177.300 -0.371 0.000 1.760 46 P CA 0.417 63.266 63.100 -0.418 0.000 1.081 46 P CB -0.148 31.411 31.700 -0.235 0.000 1.975 47 E N 0.724 120.751 120.200 -0.289 0.000 2.354 47 E HA 0.284 4.625 4.350 -0.015 0.000 0.283 47 E C -0.656 175.874 176.600 -0.117 0.000 0.938 47 E CA -0.876 55.451 56.400 -0.122 0.000 0.777 47 E CB 1.143 30.909 29.700 0.109 0.000 1.222 47 E HN -0.095 nan 8.360 nan 0.000 0.423 48 R N 2.372 122.794 120.500 -0.130 0.000 2.570 48 R HA 0.057 4.388 4.340 -0.015 0.000 0.277 48 R C -0.417 175.772 176.300 -0.184 0.000 1.039 48 R CA -0.109 55.918 56.100 -0.122 0.000 1.065 48 R CB 0.154 30.393 30.300 -0.101 0.000 0.964 48 R HN 0.572 nan 8.270 nan 0.000 0.428 49 D N 1.520 121.770 120.400 -0.249 0.000 2.348 49 D HA -0.019 4.612 4.640 -0.015 0.000 0.259 49 D C 0.041 176.008 176.300 -0.554 0.000 1.296 49 D CA 0.612 54.279 54.000 -0.555 0.000 0.931 49 D CB 0.489 41.092 40.800 -0.328 0.000 1.067 49 D HN 0.400 nan 8.370 nan 0.000 0.503 50 T N 2.826 116.880 114.554 -0.833 0.000 3.231 50 T HA 0.189 4.530 4.350 -0.015 0.000 0.292 50 T C 0.226 174.847 174.700 -0.131 0.000 1.001 50 T CA -0.344 61.575 62.100 -0.303 0.000 0.920 50 T CB -0.309 68.522 68.868 -0.062 0.000 1.140 50 T HN 0.424 nan 8.240 nan 0.000 0.525 51 F N -2.085 117.873 119.950 0.014 0.000 2.959 51 F HA 0.261 4.779 4.527 -0.016 0.000 0.393 51 F C 1.839 177.653 175.800 0.025 0.000 0.957 51 F CA 0.233 58.242 58.000 0.015 0.000 1.049 51 F CB -0.556 38.452 39.000 0.013 0.000 1.189 51 F HN 0.042 nan 8.300 nan 0.000 0.563 52 T N -1.424 113.143 114.554 0.021 0.000 2.812 52 T HA -0.048 4.293 4.350 -0.015 0.000 0.264 52 T C 0.788 175.489 174.700 0.000 0.000 1.042 52 T CA 1.258 63.389 62.100 0.051 0.000 1.140 52 T CB -0.443 68.354 68.868 -0.118 0.000 0.870 52 T HN 0.385 nan 8.240 nan 0.000 0.445 53 N N 2.471 121.145 118.700 -0.043 0.000 2.609 53 N HA 0.217 4.948 4.740 -0.015 0.000 0.234 53 N C -2.094 173.415 175.510 -0.001 0.000 1.001 53 N CA -1.884 51.150 53.050 -0.027 0.000 0.926 53 N CB 1.800 40.258 38.487 -0.048 0.000 1.130 53 N HN 0.152 nan 8.380 nan 0.000 0.510 54 P HA -0.055 nan 4.420 nan 0.000 0.237 54 P C 0.136 177.447 177.300 0.017 0.000 1.178 54 P CA 0.772 63.891 63.100 0.033 0.000 0.766 54 P CB 0.000 31.728 31.700 0.046 0.000 0.876 55 E N 0.298 120.503 120.200 0.009 0.000 2.349 55 E HA 0.142 4.483 4.350 -0.015 0.000 0.201 55 E C -0.005 176.594 176.600 -0.002 0.000 1.087 55 E CA -0.427 55.975 56.400 0.004 0.000 1.128 55 E CB -0.115 29.588 29.700 0.004 0.000 1.188 55 E HN 0.153 nan 8.360 nan 0.000 0.445 56 E N 0.173 120.370 120.200 -0.005 0.000 2.373 56 E HA 0.238 4.579 4.350 -0.015 0.000 0.251 56 E C -0.034 176.561 176.600 -0.009 0.000 0.923 56 E CA -0.439 55.956 56.400 -0.009 0.000 0.798 56 E CB 1.087 30.777 29.700 -0.015 0.000 1.303 56 E HN 0.299 nan 8.360 nan 0.000 0.412 57 G N 3.724 112.522 108.800 -0.005 0.000 2.557 57 G HA2 -0.108 3.843 3.960 -0.015 0.000 0.213 57 G HA3 -0.108 3.843 3.960 -0.015 0.000 0.213 57 G C 0.398 175.295 174.900 -0.006 0.000 1.221 57 G CA 0.562 45.662 45.100 -0.001 0.000 0.832 57 G HN 0.652 nan 8.290 nan 0.000 0.556 58 D N -0.038 120.355 120.400 -0.012 0.000 2.341 58 D HA 0.221 4.852 4.640 -0.015 0.000 0.245 58 D C 0.842 177.131 176.300 -0.018 0.000 1.106 58 D CA -0.431 53.558 54.000 -0.017 0.000 0.905 58 D CB 1.221 42.005 40.800 -0.027 0.000 1.202 58 D HN 0.133 nan 8.370 nan 0.000 0.426 59 L N 0.970 122.182 121.223 -0.017 0.000 2.627 59 L HA 0.130 4.460 4.340 -0.015 0.000 0.232 59 L C 0.359 177.226 176.870 -0.006 0.000 1.150 59 L CA -0.265 54.570 54.840 -0.008 0.000 0.917 59 L CB -0.763 41.286 42.059 -0.017 0.000 1.104 59 L HN 0.341 nan 8.230 nan 0.000 0.445 60 N N 0.482 119.148 118.700 -0.057 0.000 2.445 60 N HA 0.257 4.988 4.740 -0.015 0.000 0.264 60 N C -2.383 172.913 175.510 -0.356 0.000 1.227 60 N CA -1.647 51.314 53.050 -0.148 0.000 0.963 60 N CB 0.045 38.459 38.487 -0.122 0.000 1.188 60 N HN -0.202 nan 8.380 nan 0.000 0.491 61 P HA 0.149 nan 4.420 nan 0.000 0.268 61 P C -2.229 174.763 177.300 -0.514 0.000 1.204 61 P CA -0.611 61.761 63.100 -1.214 0.000 0.768 61 P CB -0.203 30.977 31.700 -0.865 0.000 0.842 62 P HA 0.189 nan 4.420 nan 0.000 0.274 62 P C -1.972 175.262 177.300 -0.110 0.000 1.246 62 P CA -1.490 61.520 63.100 -0.149 0.000 0.795 62 P CB -0.248 31.418 31.700 -0.056 0.000 1.006 63 P HA -0.092 nan 4.420 nan 0.000 0.216 63 P C 0.093 177.377 177.300 -0.027 0.000 1.153 63 P CA 1.470 64.543 63.100 -0.045 0.000 0.848 63 P CB 0.063 31.746 31.700 -0.029 0.000 0.787 64 E N -0.252 119.944 120.200 -0.007 0.000 2.158 64 E HA 0.617 4.958 4.350 -0.015 0.000 0.271 64 E C -0.828 175.809 176.600 0.062 0.000 0.911 64 E CA -1.294 55.118 56.400 0.020 0.000 0.767 64 E CB 1.621 31.338 29.700 0.028 0.000 1.120 64 E HN -0.070 nan 8.360 nan 0.000 0.405 65 A N 3.983 126.859 122.820 0.093 0.000 2.425 65 A HA 0.146 4.457 4.320 -0.015 0.000 0.249 65 A C 0.123 177.911 177.584 0.339 0.000 1.084 65 A CA -0.412 51.735 52.037 0.184 0.000 0.781 65 A CB 0.242 19.330 19.000 0.147 0.000 1.019 65 A HN 0.686 nan 8.150 nan 0.000 0.490 66 K N 1.224 121.804 120.400 0.300 0.000 2.485 66 K HA 0.011 4.321 4.320 -0.015 0.000 0.277 66 K C 0.132 176.913 176.600 0.301 0.000 0.990 66 K CA 0.436 56.867 56.287 0.240 0.000 0.994 66 K CB 0.324 32.929 32.500 0.176 0.000 0.906 66 K HN 0.727 nan 8.250 nan 0.000 0.488 67 Q N 2.183 121.990 119.800 0.012 0.000 3.247 67 Q HA 0.103 4.434 4.340 -0.015 0.000 0.326 67 Q C -0.644 175.320 176.000 -0.060 0.000 1.402 67 Q CA -0.135 55.392 55.803 -0.460 0.000 0.994 67 Q CB 0.303 28.691 28.738 -0.583 0.000 1.647 67 Q HN 0.185 nan 8.270 nan 0.000 0.523 68 V N 1.310 121.241 119.914 0.030 0.000 2.823 68 V HA 0.320 4.431 4.120 -0.015 0.000 0.312 68 V C -1.880 174.043 176.094 -0.285 0.000 1.072 68 V CA -2.356 59.839 62.300 -0.175 0.000 0.937 68 V CB 2.326 34.083 31.823 -0.110 0.000 1.013 68 V HN 0.221 nan 8.190 nan 0.000 0.430 69 P HA -0.021 nan 4.420 nan 0.000 0.219 69 P C 0.202 177.362 177.300 -0.233 0.000 1.150 69 P CA 1.047 63.629 63.100 -0.864 0.000 0.814 69 P CB 0.243 31.153 31.700 -1.317 0.000 0.787 70 V N -0.099 119.723 119.914 -0.154 0.000 2.680 70 V HA 0.545 4.656 4.120 -0.015 0.000 0.309 70 V C 0.035 176.151 176.094 0.036 0.000 1.052 70 V CA -0.488 61.814 62.300 0.002 0.000 0.908 70 V CB 1.916 33.774 31.823 0.060 0.000 1.001 70 V HN 0.232 nan 8.190 nan 0.000 0.431 71 S N 2.958 118.714 115.700 0.093 0.000 2.570 71 S HA 0.820 5.281 4.470 -0.015 0.000 0.270 71 S C -1.688 172.973 174.600 0.103 0.000 1.149 71 S CA -0.747 57.467 58.200 0.023 0.000 0.837 71 S CB 2.273 65.528 63.200 0.092 0.000 1.124 71 S HN 0.992 nan 8.310 nan 0.000 0.465 72 Y N 0.852 120.885 120.300 -0.444 0.000 2.358 72 Y HA 0.590 5.131 4.550 -0.015 0.000 0.324 72 Y C -2.478 172.865 175.900 -0.929 0.000 1.123 72 Y CA -1.071 56.745 58.100 -0.473 0.000 1.067 72 Y CB 1.059 39.304 38.460 -0.357 0.000 1.230 72 Y HN 0.821 nan 8.280 nan 0.000 0.429 73 Y N 4.363 123.656 120.300 -1.678 0.000 2.364 73 Y HA 0.512 5.053 4.550 -0.015 0.000 0.340 73 Y C -0.521 174.630 175.900 -1.249 0.000 0.975 73 Y CA -0.892 56.426 58.100 -1.303 0.000 1.089 73 Y CB 1.849 39.651 38.460 -1.096 0.000 1.192 73 Y HN 0.555 nan 8.280 nan 0.000 0.454 74 D N 0.800 120.822 120.400 -0.629 0.000 2.337 74 D HA 0.097 4.728 4.640 -0.015 0.000 0.238 74 D C 0.262 176.517 176.300 -0.075 0.000 1.331 74 D CA -0.314 53.511 54.000 -0.292 0.000 0.967 74 D CB 0.704 41.397 40.800 -0.178 0.000 1.382 74 D HN 0.423 nan 8.370 nan 0.000 0.549 75 S N 1.020 116.688 115.700 -0.052 0.000 2.547 75 S HA -0.132 4.329 4.470 -0.015 0.000 0.235 75 S C 1.559 176.173 174.600 0.022 0.000 0.980 75 S CA 1.219 59.411 58.200 -0.014 0.000 0.941 75 S CB -0.438 62.751 63.200 -0.019 0.000 0.763 75 S HN 0.491 nan 8.310 nan 0.000 0.532 76 T N -2.548 112.040 114.554 0.056 0.000 3.069 76 T HA 0.199 4.540 4.350 -0.015 0.000 0.252 76 T C 0.255 175.028 174.700 0.121 0.000 1.053 76 T CA -0.674 61.469 62.100 0.071 0.000 0.964 76 T CB -0.623 68.290 68.868 0.075 0.000 1.005 76 T HN 0.391 nan 8.240 nan 0.000 0.532 77 Y N 2.539 122.862 120.300 0.038 0.000 2.620 77 Y HA 0.382 4.923 4.550 -0.015 0.000 0.330 77 Y C 0.671 176.600 175.900 0.048 0.000 1.186 77 Y CA -1.686 56.466 58.100 0.087 0.000 1.467 77 Y CB 0.218 38.766 38.460 0.147 0.000 1.262 77 Y HN 0.174 nan 8.280 nan 0.000 0.550 78 L N 4.617 125.521 121.223 -0.531 0.000 3.730 78 L HA -0.275 4.056 4.340 -0.015 0.000 0.410 78 L C 0.829 177.514 176.870 -0.309 0.000 1.234 78 L CA 1.538 55.995 54.840 -0.638 0.000 0.911 78 L CB -1.948 39.486 42.059 -1.042 0.000 1.942 78 L HN 0.796 nan 8.230 nan 0.000 0.860 79 S N -3.949 111.656 115.700 -0.158 0.000 2.502 79 S HA 0.290 4.751 4.470 -0.015 0.000 0.215 79 S C 0.851 175.413 174.600 -0.063 0.000 1.009 79 S CA 0.437 58.587 58.200 -0.084 0.000 0.908 79 S CB 0.304 63.488 63.200 -0.027 0.000 0.801 79 S HN 0.821 nan 8.310 nan 0.000 0.505 80 T N -0.819 113.693 114.554 -0.070 0.000 2.919 80 T HA 0.541 4.881 4.350 -0.015 0.000 0.282 80 T C -0.026 174.620 174.700 -0.090 0.000 1.020 80 T CA -0.411 61.664 62.100 -0.040 0.000 0.994 80 T CB 1.165 70.029 68.868 -0.007 0.000 1.180 80 T HN -0.151 nan 8.240 nan 0.000 0.566 81 D N 0.066 120.448 120.400 -0.030 0.000 2.162 81 D HA 0.008 4.639 4.640 -0.015 0.000 0.203 81 D C 2.016 178.293 176.300 -0.039 0.000 0.967 81 D CA 0.758 54.739 54.000 -0.031 0.000 0.840 81 D CB -0.170 40.729 40.800 0.165 0.000 0.972 81 D HN 0.474 nan 8.370 nan 0.000 0.482 82 N N 1.088 119.790 118.700 0.004 0.000 2.069 82 N HA -0.165 4.565 4.740 -0.015 0.000 0.191 82 N C 1.594 177.097 175.510 -0.012 0.000 1.031 82 N CA 0.927 53.985 53.050 0.014 0.000 0.852 82 N CB -0.220 38.281 38.487 0.024 0.000 1.018 82 N HN 0.423 nan 8.380 nan 0.000 0.423 83 E N 1.094 121.273 120.200 -0.034 0.000 2.058 83 E HA -0.133 4.208 4.350 -0.015 0.000 0.194 83 E C 1.929 178.480 176.600 -0.082 0.000 0.997 83 E CA 1.028 57.410 56.400 -0.029 0.000 0.801 83 E CB -0.014 29.654 29.700 -0.054 0.000 0.746 83 E HN 0.383 nan 8.360 nan 0.000 0.450 84 K N 0.621 120.874 120.400 -0.244 0.000 2.057 84 K HA -0.185 4.126 4.320 -0.015 0.000 0.207 84 K C 1.931 178.411 176.600 -0.201 0.000 1.049 84 K CA 1.485 57.523 56.287 -0.415 0.000 0.931 84 K CB -0.146 31.726 32.500 -1.046 0.000 0.714 84 K HN 0.043 nan 8.250 nan 0.000 0.440 85 D N 0.902 121.247 120.400 -0.091 0.000 2.092 85 D HA -0.180 4.451 4.640 -0.015 0.000 0.193 85 D C 1.709 178.029 176.300 0.033 0.000 0.994 85 D CA 1.363 55.385 54.000 0.035 0.000 0.828 85 D CB -0.212 40.635 40.800 0.079 0.000 0.963 85 D HN 0.052 nan 8.370 nan 0.000 0.450 86 N N -1.362 117.359 118.700 0.035 0.000 2.061 86 N HA -0.245 4.486 4.740 -0.015 0.000 0.193 86 N C 1.705 177.252 175.510 0.061 0.000 1.030 86 N CA 1.418 54.490 53.050 0.037 0.000 0.856 86 N CB -0.430 38.078 38.487 0.036 0.000 1.023 86 N HN 0.340 nan 8.380 nan 0.000 0.424 87 Y N 0.240 120.521 120.300 -0.031 0.000 2.053 87 Y HA -0.273 4.268 4.550 -0.015 0.000 0.277 87 Y C 2.147 178.046 175.900 -0.003 0.000 1.159 87 Y CA 1.508 59.606 58.100 -0.004 0.000 1.125 87 Y CB -0.602 37.844 38.460 -0.022 0.000 0.969 87 Y HN 0.127 nan 8.280 nan 0.000 0.492 88 L N 1.204 122.583 121.223 0.259 0.000 2.021 88 L HA -0.300 4.031 4.340 -0.015 0.000 0.215 88 L C 2.249 179.137 176.870 0.029 0.000 1.074 88 L CA 2.062 56.959 54.840 0.096 0.000 0.760 88 L CB -0.870 41.127 42.059 -0.102 0.000 0.889 88 L HN 0.251 nan 8.230 nan 0.000 0.433 89 K N -1.373 119.034 120.400 0.013 0.000 2.057 89 K HA -0.110 4.201 4.320 -0.015 0.000 0.207 89 K C 1.984 178.569 176.600 -0.025 0.000 1.049 89 K CA 1.164 57.450 56.287 -0.002 0.000 0.931 89 K CB -0.630 31.866 32.500 -0.006 0.000 0.714 89 K HN 0.541 nan 8.250 nan 0.000 0.440 90 G N 1.005 109.765 108.800 -0.065 0.000 2.414 90 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.215 90 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.215 90 G C 1.597 176.452 174.900 -0.076 0.000 1.188 90 G CA 0.646 45.675 45.100 -0.118 0.000 0.783 90 G HN 0.080 nan 8.290 nan 0.000 0.537 91 V N 1.134 121.003 119.914 -0.074 0.000 2.287 91 V HA -0.220 3.891 4.120 -0.015 0.000 0.248 91 V C 3.192 179.423 176.094 0.228 0.000 1.053 91 V CA 2.445 64.797 62.300 0.087 0.000 1.027 91 V CB -1.017 30.859 31.823 0.088 0.000 0.646 91 V HN 0.406 nan 8.190 nan 0.000 0.447 92 T N -0.680 113.953 114.554 0.132 0.000 2.684 92 T HA -0.287 4.054 4.350 -0.015 0.000 0.267 92 T C 1.974 176.758 174.700 0.140 0.000 1.036 92 T CA 1.925 64.107 62.100 0.138 0.000 1.148 92 T CB -0.259 68.650 68.868 0.067 0.000 0.863 92 T HN 0.414 nan 8.240 nan 0.000 0.436 93 K N 0.443 120.879 120.400 0.061 0.000 2.103 93 K HA -0.022 4.288 4.320 -0.015 0.000 0.207 93 K C 2.159 178.782 176.600 0.038 0.000 1.048 93 K CA 1.070 57.376 56.287 0.032 0.000 0.930 93 K CB -0.238 32.259 32.500 -0.006 0.000 0.716 93 K HN 0.317 nan 8.250 nan 0.000 0.444 94 L N -0.492 120.743 121.223 0.020 0.000 2.179 94 L HA -0.089 4.242 4.340 -0.015 0.000 0.208 94 L C 2.014 178.806 176.870 -0.130 0.000 1.096 94 L CA 0.628 55.421 54.840 -0.079 0.000 0.779 94 L CB -0.288 41.674 42.059 -0.161 0.000 0.922 94 L HN 0.108 nan 8.230 nan 0.000 0.443 95 F N 0.557 120.437 119.950 -0.118 0.000 2.146 95 F HA -0.175 4.342 4.527 -0.016 0.000 0.298 95 F C 2.656 178.361 175.800 -0.159 0.000 1.096 95 F CA 1.154 59.037 58.000 -0.194 0.000 1.275 95 F CB -0.189 38.745 39.000 -0.111 0.000 1.008 95 F HN 0.036 nan 8.300 nan 0.000 0.480 96 E N -0.019 120.261 120.200 0.134 0.000 2.106 96 E HA -0.204 4.137 4.350 -0.015 0.000 0.192 96 E C 2.238 178.873 176.600 0.058 0.000 0.984 96 E CA 0.818 57.283 56.400 0.108 0.000 0.806 96 E CB -0.463 29.275 29.700 0.063 0.000 0.750 96 E HN 0.369 nan 8.360 nan 0.000 0.458 97 R N 0.573 121.078 120.500 0.008 0.000 2.081 97 R HA -0.067 4.263 4.340 -0.015 0.000 0.235 97 R C 2.409 178.789 176.300 0.132 0.000 1.131 97 R CA 1.011 57.121 56.100 0.016 0.000 0.960 97 R CB -0.249 30.019 30.300 -0.052 0.000 0.856 97 R HN 0.081 nan 8.270 nan 0.000 0.436 98 I N -0.517 120.079 120.570 0.043 0.000 2.163 98 I HA -0.279 3.882 4.170 -0.015 0.000 0.240 98 I C 2.009 178.138 176.117 0.020 0.000 1.081 98 I CA 1.289 62.622 61.300 0.056 0.000 1.353 98 I CB -0.353 37.509 38.000 -0.229 0.000 1.054 98 I HN 0.224 nan 8.210 nan 0.000 0.407 99 Y N 1.222 121.405 120.300 -0.195 0.000 2.483 99 Y HA -0.250 4.292 4.550 -0.014 0.000 0.291 99 Y C 2.628 178.485 175.900 -0.071 0.000 1.143 99 Y CA 1.301 59.281 58.100 -0.200 0.000 1.289 99 Y CB -0.179 38.115 38.460 -0.278 0.000 0.983 99 Y HN 0.263 nan 8.280 nan 0.000 0.556 100 S N -1.270 114.460 115.700 0.049 0.000 2.562 100 S HA 0.006 4.467 4.470 -0.015 0.000 0.221 100 S C 0.893 175.495 174.600 0.003 0.000 0.975 100 S CA 0.175 58.410 58.200 0.059 0.000 0.918 100 S CB -1.067 62.255 63.200 0.203 0.000 0.772 100 S HN 0.421 nan 8.310 nan 0.000 0.531 101 T N -0.821 113.698 114.554 -0.059 0.000 2.928 101 T HA 0.427 4.768 4.350 -0.015 0.000 0.284 101 T C 0.222 174.712 174.700 -0.350 0.000 1.008 101 T CA -0.583 61.417 62.100 -0.166 0.000 1.057 101 T CB 1.240 69.967 68.868 -0.236 0.000 1.018 101 T HN -0.110 nan 8.240 nan 0.000 0.493 102 D N 0.563 120.694 120.400 -0.448 0.000 2.104 102 D HA -0.098 4.533 4.640 -0.015 0.000 0.194 102 D C 1.862 177.902 176.300 -0.434 0.000 0.994 102 D CA 1.012 54.745 54.000 -0.445 0.000 0.830 102 D CB -0.269 40.186 40.800 -0.574 0.000 0.959 102 D HN 0.482 nan 8.370 nan 0.000 0.452 103 L N 0.393 121.051 121.223 -0.942 0.000 2.093 103 L HA 0.083 4.414 4.340 -0.015 0.000 0.208 103 L C 2.113 178.688 176.870 -0.491 0.000 1.085 103 L CA 1.890 56.244 54.840 -0.811 0.000 0.755 103 L CB -0.764 40.446 42.059 -1.416 0.000 0.904 103 L HN 0.053 nan 8.230 nan 0.000 0.435 104 G N -0.795 107.800 108.800 -0.342 0.000 2.421 104 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.216 104 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.216 104 G C 1.738 176.523 174.900 -0.192 0.000 1.171 104 G CA 0.571 45.623 45.100 -0.080 0.000 0.775 104 G HN 0.381 nan 8.290 nan 0.000 0.543 105 R N -0.436 119.887 120.500 -0.294 0.000 2.355 105 R HA 0.069 4.400 4.340 -0.015 0.000 0.219 105 R C 1.970 178.172 176.300 -0.164 0.000 1.107 105 R CA 1.214 57.075 56.100 -0.399 0.000 1.021 105 R CB -0.143 29.762 30.300 -0.658 0.000 0.852 105 R HN 0.527 nan 8.270 nan 0.000 0.475 106 M N -1.596 117.893 119.600 -0.184 0.000 2.504 106 M HA -0.008 4.462 4.480 -0.015 0.000 0.222 106 M C 1.406 177.605 176.300 -0.169 0.000 1.566 106 M CA 0.033 55.163 55.300 -0.284 0.000 1.099 106 M CB -0.014 32.385 32.600 -0.336 0.000 1.428 106 M HN 0.112 nan 8.290 nan 0.000 0.556 107 L N 1.901 122.852 121.223 -0.453 0.000 1.978 107 L HA -0.198 4.133 4.340 -0.015 0.000 0.218 107 L C 1.943 178.679 176.870 -0.222 0.000 1.075 107 L CA 2.271 56.668 54.840 -0.737 0.000 0.767 107 L CB -1.066 40.609 42.059 -0.640 0.000 0.890 107 L HN 0.446 nan 8.230 nan 0.000 0.434 108 L N -1.289 119.860 121.223 -0.124 0.000 2.079 108 L HA -0.228 4.102 4.340 -0.015 0.000 0.210 108 L C 2.327 179.301 176.870 0.173 0.000 1.081 108 L CA 1.709 56.556 54.840 0.012 0.000 0.752 108 L CB -0.945 41.069 42.059 -0.074 0.000 0.896 108 L HN 0.342 nan 8.230 nan 0.000 0.433 109 T N -1.239 113.449 114.554 0.223 0.000 2.708 109 T HA -0.165 4.176 4.350 -0.015 0.000 0.266 109 T C 2.149 177.050 174.700 0.336 0.000 1.037 109 T CA 1.632 63.935 62.100 0.339 0.000 1.146 109 T CB -0.119 69.013 68.868 0.440 0.000 0.865 109 T HN 0.267 nan 8.240 nan 0.000 0.435 110 S N 1.028 116.940 115.700 0.352 0.000 2.383 110 S HA -0.040 4.421 4.470 -0.015 0.000 0.229 110 S C 1.999 176.837 174.600 0.396 0.000 1.030 110 S CA 0.910 59.346 58.200 0.393 0.000 1.002 110 S CB -0.425 63.023 63.200 0.413 0.000 0.829 110 S HN 0.430 nan 8.310 nan 0.000 0.467 111 I N 0.800 121.532 120.570 0.271 0.000 2.163 111 I HA -0.117 4.044 4.170 -0.015 0.000 0.240 111 I C 2.155 178.404 176.117 0.220 0.000 1.081 111 I CA 0.916 62.364 61.300 0.247 0.000 1.353 111 I CB -0.623 37.481 38.000 0.173 0.000 1.054 111 I HN 0.138 nan 8.210 nan 0.000 0.407 112 V N 1.040 121.093 119.914 0.232 0.000 2.453 112 V HA -0.310 3.801 4.120 -0.015 0.000 0.252 112 V C 2.597 178.789 176.094 0.163 0.000 1.068 112 V CA 2.015 64.447 62.300 0.220 0.000 1.070 112 V CB -0.860 31.130 31.823 0.279 0.000 0.664 112 V HN 0.421 nan 8.190 nan 0.000 0.461 113 R N 0.327 120.933 120.500 0.176 0.000 2.127 113 R HA 0.026 4.357 4.340 -0.015 0.000 0.217 113 R C 1.694 177.989 176.300 -0.008 0.000 1.074 113 R CA 0.878 57.045 56.100 0.112 0.000 0.991 113 R CB -0.282 30.128 30.300 0.182 0.000 0.895 113 R HN 0.521 nan 8.270 nan 0.000 0.450 114 G N 2.245 111.010 108.800 -0.058 0.000 3.284 114 G HA2 0.137 4.088 3.960 -0.015 0.000 0.251 114 G HA3 0.137 4.088 3.960 -0.015 0.000 0.251 114 G C 0.009 174.787 174.900 -0.202 0.000 0.913 114 G CA -0.463 44.352 45.100 -0.474 0.000 1.947 114 G HN 0.107 nan 8.290 nan 0.000 0.635 115 I N 1.264 121.790 120.570 -0.073 0.000 2.821 115 I HA 0.023 4.184 4.170 -0.015 0.000 0.294 115 I C -1.848 174.403 176.117 0.223 0.000 1.210 115 I CA -2.773 58.577 61.300 0.083 0.000 1.430 115 I CB 0.033 38.059 38.000 0.042 0.000 1.356 115 I HN 0.114 nan 8.210 nan 0.000 0.563 116 P HA -0.006 nan 4.420 nan 0.000 0.265 116 P C -0.087 177.532 177.300 0.532 0.000 1.193 116 P CA -0.058 63.247 63.100 0.341 0.000 0.765 116 P CB 0.339 32.203 31.700 0.274 0.000 0.823 117 F N 2.836 122.928 119.950 0.237 0.000 2.535 117 F HA 0.175 4.693 4.527 -0.014 0.000 0.332 117 F C 0.119 175.997 175.800 0.129 0.000 1.208 117 F CA 0.236 58.206 58.000 -0.049 0.000 1.330 117 F CB 0.308 38.987 39.000 -0.535 0.000 1.167 117 F HN 0.349 nan 8.300 nan 0.000 0.597 118 W N 4.407 124.985 121.300 -1.204 0.000 1.602 118 W HA 0.478 5.129 4.660 -0.015 0.000 0.294 118 W C 0.520 176.456 176.519 -0.971 0.000 0.838 118 W CA -0.076 56.824 57.345 -0.741 0.000 2.320 118 W CB 0.732 29.920 29.460 -0.453 0.000 2.318 118 W HN 0.919 nan 8.180 nan 0.000 0.467 119 G N 0.438 108.904 108.800 -0.558 0.000 4.492 119 G HA2 -0.294 3.656 3.960 -0.015 0.000 0.265 119 G HA3 -0.294 3.656 3.960 -0.015 0.000 0.265 119 G C 1.110 176.025 174.900 0.025 0.000 1.702 119 G CA 0.204 45.230 45.100 -0.123 0.000 1.266 119 G HN 0.553 nan 8.290 nan 0.000 0.643 120 G N 0.272 109.056 108.800 -0.027 0.000 2.752 120 G HA2 0.301 4.252 3.960 -0.015 0.000 0.209 120 G HA3 0.301 4.252 3.960 -0.015 0.000 0.209 120 G C 1.149 176.090 174.900 0.069 0.000 1.392 120 G CA 2.392 47.513 45.100 0.036 0.000 0.873 120 G HN 2.285 nan 8.290 nan 0.000 0.586 121 S N -0.449 115.276 115.700 0.042 0.000 3.798 121 S HA -0.167 4.293 4.470 -0.015 0.000 0.351 121 S C 1.325 175.968 174.600 0.072 0.000 0.789 121 S CA 0.898 59.130 58.200 0.053 0.000 1.322 121 S CB -0.840 62.391 63.200 0.051 0.000 1.663 121 S HN 0.715 nan 8.310 nan 0.000 0.521 122 T N 4.878 119.470 114.554 0.064 0.000 2.962 122 T HA 0.064 4.404 4.350 -0.015 0.000 0.270 122 T C 1.025 175.758 174.700 0.056 0.000 1.088 122 T CA 1.159 63.298 62.100 0.064 0.000 1.127 122 T CB -0.252 68.647 68.868 0.051 0.000 0.883 122 T HN 0.703 nan 8.240 nan 0.000 0.493 123 I N 2.240 122.840 120.570 0.051 0.000 2.342 123 I HA 0.173 4.334 4.170 -0.015 0.000 0.291 123 I C 0.886 177.034 176.117 0.050 0.000 1.010 123 I CA -0.666 60.660 61.300 0.045 0.000 1.308 123 I CB 1.112 39.135 38.000 0.038 0.000 1.400 123 I HN -0.151 nan 8.210 nan 0.000 0.488 124 D N 3.092 123.521 120.400 0.047 0.000 2.170 124 D HA -0.219 4.412 4.640 -0.015 0.000 0.193 124 D C 2.098 178.425 176.300 0.047 0.000 1.004 124 D CA 2.337 56.366 54.000 0.049 0.000 0.860 124 D CB -0.015 40.808 40.800 0.037 0.000 0.931 124 D HN 0.741 nan 8.370 nan 0.000 0.448 125 T N -2.006 112.572 114.554 0.039 0.000 3.113 125 T HA -0.013 4.328 4.350 -0.015 0.000 0.256 125 T C 0.691 175.415 174.700 0.040 0.000 1.131 125 T CA 0.061 62.182 62.100 0.034 0.000 1.074 125 T CB 0.002 68.885 68.868 0.026 0.000 0.944 125 T HN 0.370 nan 8.240 nan 0.000 0.516 126 E N 0.772 121.000 120.200 0.047 0.000 2.244 126 E HA 0.598 4.939 4.350 -0.015 0.000 0.266 126 E C -1.158 175.479 176.600 0.061 0.000 0.914 126 E CA -1.203 55.230 56.400 0.055 0.000 0.794 126 E CB 1.489 31.223 29.700 0.057 0.000 1.210 126 E HN 0.194 nan 8.360 nan 0.000 0.414 127 L N 2.317 123.592 121.223 0.087 0.000 2.296 127 L HA 0.527 4.858 4.340 -0.015 0.000 0.286 127 L C -0.130 176.896 176.870 0.261 0.000 1.023 127 L CA -0.787 54.123 54.840 0.117 0.000 0.812 127 L CB 1.388 43.503 42.059 0.093 0.000 1.223 127 L HN 0.651 nan 8.230 nan 0.000 0.421 128 K N 2.083 122.589 120.400 0.177 0.000 2.435 128 K HA 0.516 4.827 4.320 -0.015 0.000 0.251 128 K C -1.262 175.129 176.600 -0.349 0.000 0.954 128 K CA -0.636 55.661 56.287 0.018 0.000 0.820 128 K CB 2.917 35.397 32.500 -0.034 0.000 1.292 128 K HN 0.281 nan 8.250 nan 0.000 0.436 129 V N 4.393 123.728 119.914 -0.965 0.000 2.881 129 V HA 0.275 4.386 4.120 -0.015 0.000 0.303 129 V C -0.065 175.712 176.094 -0.529 0.000 1.070 129 V CA -0.256 61.252 62.300 -1.320 0.000 1.074 129 V CB 0.761 31.742 31.823 -1.404 0.000 1.012 129 V HN 0.652 nan 8.190 nan 0.000 0.482 130 I N 5.156 125.508 120.570 -0.363 0.000 2.365 130 I HA 0.261 4.421 4.170 -0.015 0.000 0.291 130 I C 0.974 177.029 176.117 -0.103 0.000 1.004 130 I CA -0.364 60.870 61.300 -0.110 0.000 1.311 130 I CB 1.570 39.589 38.000 0.032 0.000 1.401 130 I HN 0.877 nan 8.210 nan 0.000 0.491 131 D N 2.368 122.731 120.400 -0.061 0.000 2.183 131 D HA -0.201 4.430 4.640 -0.015 0.000 0.203 131 D C 1.785 178.055 176.300 -0.051 0.000 0.969 131 D CA 1.676 55.632 54.000 -0.073 0.000 0.842 131 D CB -0.594 40.166 40.800 -0.068 0.000 0.957 131 D HN 0.612 nan 8.370 nan 0.000 0.484 132 T N -2.042 112.508 114.554 -0.006 0.000 3.007 132 T HA -0.094 4.247 4.350 -0.015 0.000 0.270 132 T C 1.087 175.842 174.700 0.092 0.000 1.107 132 T CA 0.525 62.620 62.100 -0.009 0.000 1.118 132 T CB -0.481 68.447 68.868 0.101 0.000 0.889 132 T HN -0.056 nan 8.240 nan 0.000 0.506 133 N N 0.968 119.727 118.700 0.097 0.000 2.375 133 N HA 0.235 4.966 4.740 -0.015 0.000 0.220 133 N C -0.633 174.921 175.510 0.074 0.000 1.170 133 N CA -0.077 53.047 53.050 0.124 0.000 0.833 133 N CB -0.455 38.106 38.487 0.123 0.000 1.069 133 N HN 0.506 nan 8.380 nan 0.000 0.479 134 C N 0.031 119.349 119.300 0.031 0.000 3.090 134 C HA 0.655 5.106 4.460 -0.015 0.000 0.305 134 C C 0.124 175.089 174.990 -0.041 0.000 1.292 134 C CA -1.376 57.641 59.018 -0.002 0.000 1.482 134 C CB 1.265 28.991 27.740 -0.023 0.000 1.897 134 C HN 0.305 nan 8.230 nan 0.000 0.469 135 I N -0.119 120.397 120.570 -0.090 0.000 2.797 135 I HA 0.633 4.793 4.170 -0.015 0.000 0.307 135 I C -0.773 175.262 176.117 -0.137 0.000 1.033 135 I CA -0.399 60.806 61.300 -0.158 0.000 1.071 135 I CB 1.239 39.055 38.000 -0.307 0.000 1.255 135 I HN 0.429 nan 8.210 nan 0.000 0.445 136 N N 2.972 121.582 118.700 -0.151 0.000 2.422 136 N HA 0.407 5.138 4.740 -0.015 0.000 0.266 136 N C -1.023 174.418 175.510 -0.114 0.000 1.007 136 N CA -0.366 52.630 53.050 -0.090 0.000 0.941 136 N CB 2.176 40.539 38.487 -0.207 0.000 1.115 136 N HN 0.444 nan 8.380 nan 0.000 0.492 137 V N 4.362 124.258 119.914 -0.031 0.000 2.318 137 V HA 0.288 4.399 4.120 -0.015 0.000 0.271 137 V C 0.384 176.506 176.094 0.047 0.000 1.030 137 V CA -0.770 61.502 62.300 -0.047 0.000 0.844 137 V CB 0.424 32.235 31.823 -0.020 0.000 1.015 137 V HN 0.444 nan 8.190 nan 0.000 0.460 138 I N 5.269 125.856 120.570 0.028 0.000 2.618 138 I HA 0.136 4.297 4.170 -0.015 0.000 0.284 138 I C 0.716 176.872 176.117 0.066 0.000 1.146 138 I CA 0.570 61.907 61.300 0.063 0.000 1.425 138 I CB 0.412 38.430 38.000 0.030 0.000 1.383 138 I HN 0.534 nan 8.210 nan 0.000 0.562 139 Q N 7.871 127.710 119.800 0.066 0.000 2.205 139 Q HA 0.333 4.664 4.340 -0.015 0.000 0.249 139 Q C -1.531 174.492 176.000 0.037 0.000 0.948 139 Q CA -1.795 54.036 55.803 0.047 0.000 0.895 139 Q CB 0.334 29.093 28.738 0.035 0.000 1.249 139 Q HN 0.283 nan 8.270 nan 0.000 0.458 140 P HA -0.251 nan 4.420 nan 0.000 0.219 140 P C 0.484 177.791 177.300 0.013 0.000 1.161 140 P CA 2.047 65.161 63.100 0.022 0.000 0.909 140 P CB 0.065 31.775 31.700 0.016 0.000 0.793 141 D N -2.616 117.791 120.400 0.010 0.000 2.378 141 D HA 0.044 4.675 4.640 -0.015 0.000 0.227 141 D C 1.460 177.763 176.300 0.004 0.000 1.012 141 D CA 1.127 55.129 54.000 0.004 0.000 0.905 141 D CB -0.830 39.970 40.800 0.001 0.000 0.895 141 D HN 0.345 nan 8.370 nan 0.000 0.532 142 G N -0.267 108.540 108.800 0.012 0.000 2.254 142 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.225 142 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.225 142 G C 0.633 175.561 174.900 0.047 0.000 1.003 142 G CA 0.341 45.449 45.100 0.014 0.000 0.622 142 G HN 0.870 nan 8.290 nan 0.000 0.507 143 S N 0.106 115.830 115.700 0.041 0.000 2.612 143 S HA 0.568 5.028 4.470 -0.015 0.000 0.253 143 S C -0.061 174.616 174.600 0.129 0.000 1.346 143 S CA 0.737 58.967 58.200 0.050 0.000 0.976 143 S CB 0.801 63.990 63.200 -0.019 0.000 0.949 143 S HN 1.961 nan 8.310 nan 0.000 0.584 144 Y N -1.672 118.613 120.300 -0.026 0.000 2.441 144 Y HA 0.707 5.248 4.550 -0.016 0.000 0.334 144 Y C -0.675 175.210 175.900 -0.025 0.000 1.061 144 Y CA -1.252 56.830 58.100 -0.030 0.000 1.032 144 Y CB 1.062 39.496 38.460 -0.044 0.000 1.266 144 Y HN 0.930 nan 8.280 nan 0.000 0.441 145 R N 2.366 122.901 120.500 0.058 0.000 2.643 145 R HA 0.819 5.149 4.340 -0.015 0.000 0.272 145 R C -1.016 175.344 176.300 0.100 0.000 0.995 145 R CA -0.643 55.462 56.100 0.008 0.000 1.032 145 R CB 1.571 31.884 30.300 0.022 0.000 1.126 145 R HN 0.877 nan 8.270 nan 0.000 0.505 146 S N 1.131 116.871 115.700 0.068 0.000 2.537 146 S HA 0.378 4.839 4.470 -0.015 0.000 0.301 146 S C -1.198 173.434 174.600 0.053 0.000 1.092 146 S CA -0.729 57.515 58.200 0.074 0.000 1.048 146 S CB 1.683 64.928 63.200 0.075 0.000 1.053 146 S HN 0.577 nan 8.310 nan 0.000 0.501 147 E N 1.006 121.227 120.200 0.035 0.000 2.290 147 E HA 0.223 4.564 4.350 -0.015 0.000 0.274 147 E C -1.021 175.619 176.600 0.068 0.000 0.889 147 E CA -0.397 56.046 56.400 0.071 0.000 0.760 147 E CB 1.823 31.581 29.700 0.098 0.000 1.206 147 E HN 0.615 nan 8.360 nan 0.000 0.419 148 E N 1.219 121.491 120.200 0.120 0.000 2.397 148 E HA 0.380 4.721 4.350 -0.015 0.000 0.254 148 E C -0.847 175.847 176.600 0.158 0.000 1.231 148 E CA -0.292 56.192 56.400 0.139 0.000 0.954 148 E CB 0.782 30.604 29.700 0.204 0.000 1.024 148 E HN 0.104 nan 8.360 nan 0.000 0.481 149 L N 1.752 123.068 121.223 0.156 0.000 2.847 149 L HA 0.166 4.497 4.340 -0.015 0.000 0.261 149 L C -0.780 176.172 176.870 0.137 0.000 0.926 149 L CA -0.142 54.792 54.840 0.157 0.000 1.010 149 L CB 1.501 43.606 42.059 0.076 0.000 1.538 149 L HN 0.366 nan 8.230 nan 0.000 0.465 150 N N 2.813 121.603 118.700 0.150 0.000 2.368 150 N HA 0.370 5.101 4.740 -0.015 0.000 0.178 150 N C -0.481 175.082 175.510 0.088 0.000 1.021 150 N CA 0.835 53.961 53.050 0.127 0.000 0.875 150 N CB 0.357 38.928 38.487 0.141 0.000 1.020 150 N HN 0.496 nan 8.380 nan 0.000 0.433 151 L N -0.503 120.773 121.223 0.088 0.000 2.545 151 L HA 0.559 4.890 4.340 -0.015 0.000 0.258 151 L C -1.926 174.978 176.870 0.057 0.000 0.942 151 L CA -0.634 54.233 54.840 0.044 0.000 0.855 151 L CB 2.052 44.186 42.059 0.125 0.000 1.374 151 L HN -0.263 nan 8.230 nan 0.000 0.411 152 V N 5.178 125.065 119.914 -0.045 0.000 2.686 152 V HA 0.567 4.677 4.120 -0.015 0.000 0.306 152 V C -0.699 175.509 176.094 0.190 0.000 1.065 152 V CA -0.522 61.822 62.300 0.074 0.000 0.894 152 V CB 1.975 33.755 31.823 -0.073 0.000 1.004 152 V HN 0.542 nan 8.190 nan 0.000 0.424 153 I N 5.723 126.464 120.570 0.286 0.000 2.336 153 I HA 0.542 4.703 4.170 -0.015 0.000 0.292 153 I C -0.051 176.300 176.117 0.391 0.000 0.991 153 I CA -0.218 61.289 61.300 0.345 0.000 1.227 153 I CB 1.213 39.447 38.000 0.389 0.000 1.366 153 I HN 0.466 nan 8.210 nan 0.000 0.466 154 I N 3.477 124.276 120.570 0.382 0.000 2.910 154 I HA 0.619 4.780 4.170 -0.015 0.000 0.310 154 I C 1.013 177.310 176.117 0.300 0.000 1.043 154 I CA -0.973 60.511 61.300 0.307 0.000 1.053 154 I CB 1.669 39.814 38.000 0.243 0.000 1.242 154 I HN 0.580 nan 8.210 nan 0.000 0.452 155 G N 2.207 111.066 108.800 0.098 0.000 2.699 155 G HA2 0.352 4.303 3.960 -0.015 0.000 0.246 155 G HA3 0.352 4.303 3.960 -0.015 0.000 0.246 155 G C -2.544 172.440 174.900 0.140 0.000 1.219 155 G CA -0.603 44.553 45.100 0.094 0.000 0.866 155 G HN 0.392 nan 8.290 nan 0.000 0.572 156 P HA 0.257 nan 4.420 nan 0.000 0.278 156 P C 0.094 177.404 177.300 0.016 0.000 1.266 156 P CA -0.464 62.724 63.100 0.146 0.000 0.807 156 P CB 1.470 33.286 31.700 0.193 0.000 1.094 157 S N -0.311 115.374 115.700 -0.024 0.000 2.546 157 S HA 0.330 4.791 4.470 -0.015 0.000 0.265 157 S C 1.829 176.381 174.600 -0.080 0.000 1.190 157 S CA 0.140 58.299 58.200 -0.067 0.000 1.014 157 S CB -0.434 62.729 63.200 -0.062 0.000 1.087 157 S HN 0.579 nan 8.310 nan 0.000 0.525 158 A N 1.317 124.106 122.820 -0.050 0.000 1.863 158 A HA -0.175 4.136 4.320 -0.015 0.000 0.218 158 A C 1.081 178.523 177.584 -0.236 0.000 1.233 158 A CA 1.996 54.034 52.037 0.001 0.000 0.655 158 A CB -0.979 18.121 19.000 0.167 0.000 0.839 158 A HN 0.714 nan 8.150 nan 0.000 0.454 159 D N 0.072 120.257 120.400 -0.359 0.000 2.367 159 D HA 0.233 4.864 4.640 -0.015 0.000 0.255 159 D C 1.094 177.070 176.300 -0.540 0.000 1.300 159 D CA -0.059 53.474 54.000 -0.778 0.000 0.959 159 D CB -0.174 40.301 40.800 -0.542 0.000 1.064 159 D HN 0.379 nan 8.370 nan 0.000 0.509 160 I N 3.533 123.739 120.570 -0.608 0.000 2.248 160 I HA -0.281 3.879 4.170 -0.015 0.000 0.248 160 I C 1.993 177.775 176.117 -0.558 0.000 1.107 160 I CA 0.988 62.000 61.300 -0.480 0.000 1.373 160 I CB -0.176 37.423 38.000 -0.668 0.000 1.055 160 I HN 0.562 nan 8.210 nan 0.000 0.418 161 I N -2.067 118.091 120.570 -0.685 0.000 3.793 161 I HA 0.061 4.222 4.170 -0.015 0.000 0.315 161 I C 1.116 176.648 176.117 -0.975 0.000 1.275 161 I CA 0.116 60.816 61.300 -1.001 0.000 1.214 161 I CB -0.224 37.349 38.000 -0.712 0.000 1.018 161 I HN 0.132 nan 8.210 nan 0.000 0.439 162 Q N 2.374 121.813 119.800 -0.602 0.000 2.423 162 Q HA 0.262 4.592 4.340 -0.015 0.000 0.235 162 Q C -1.425 174.466 176.000 -0.181 0.000 1.100 162 Q CA -0.516 55.099 55.803 -0.314 0.000 0.908 162 Q CB 0.408 29.045 28.738 -0.169 0.000 1.312 162 Q HN 0.276 nan 8.270 nan 0.000 0.497 163 F N 2.526 122.563 119.950 0.145 0.000 2.410 163 F HA 0.380 4.898 4.527 -0.015 0.000 0.349 163 F C 0.232 176.130 175.800 0.163 0.000 1.117 163 F CA -0.752 57.363 58.000 0.192 0.000 1.104 163 F CB 1.149 40.335 39.000 0.310 0.000 1.122 163 F HN 0.379 nan 8.300 nan 0.000 0.483 164 E N 0.924 121.323 120.200 0.331 0.000 2.343 164 E HA 0.451 4.792 4.350 -0.015 0.000 0.270 164 E C -1.495 175.207 176.600 0.169 0.000 0.895 164 E CA -0.857 55.653 56.400 0.183 0.000 0.767 164 E CB 2.232 31.995 29.700 0.105 0.000 1.248 164 E HN 0.477 nan 8.360 nan 0.000 0.440 165 C N 2.570 121.924 119.300 0.091 0.000 2.347 165 C HA 0.391 4.842 4.460 -0.015 0.000 0.353 165 C C -0.489 174.548 174.990 0.079 0.000 1.273 165 C CA -0.406 58.672 59.018 0.099 0.000 1.861 165 C CB -0.744 27.045 27.740 0.082 0.000 2.420 165 C HN 0.414 nan 8.230 nan 0.000 0.542 166 K N 3.048 123.520 120.400 0.121 0.000 2.318 166 K HA 0.710 5.021 4.320 -0.015 0.000 0.249 166 K C -0.817 175.850 176.600 0.112 0.000 0.942 166 K CA -0.348 55.975 56.287 0.059 0.000 0.808 166 K CB 2.142 34.633 32.500 -0.014 0.000 1.189 166 K HN 0.660 nan 8.250 nan 0.000 0.428 167 S N 0.703 116.408 115.700 0.007 0.000 2.618 167 S HA 0.602 5.063 4.470 -0.015 0.000 0.277 167 S C -1.010 173.507 174.600 -0.138 0.000 1.138 167 S CA -0.752 57.496 58.200 0.079 0.000 0.844 167 S CB 0.865 64.170 63.200 0.176 0.000 1.127 167 S HN 0.354 nan 8.310 nan 0.000 0.474 168 F N 1.408 121.466 119.950 0.180 0.000 2.394 168 F HA 0.604 5.122 4.527 -0.016 0.000 0.340 168 F C 1.212 177.099 175.800 0.146 0.000 1.105 168 F CA -0.117 57.957 58.000 0.124 0.000 1.124 168 F CB 0.967 40.030 39.000 0.105 0.000 1.145 168 F HN 0.747 nan 8.300 nan 0.000 0.505 169 G N 0.594 109.563 108.800 0.281 0.000 2.630 169 G HA2 0.426 4.377 3.960 -0.015 0.000 0.223 169 G HA3 0.426 4.377 3.960 -0.015 0.000 0.223 169 G C -1.660 173.411 174.900 0.285 0.000 1.434 169 G CA -0.076 45.167 45.100 0.237 0.000 1.057 169 G HN 0.669 nan 8.290 nan 0.000 0.570 170 H N -2.284 116.855 119.070 0.114 0.000 3.003 170 H HA 0.225 4.772 4.556 -0.015 0.000 0.327 170 H C 1.173 176.543 175.328 0.071 0.000 1.353 170 H CA -0.149 55.955 56.048 0.094 0.000 1.142 170 H CB 1.643 31.465 29.762 0.100 0.000 1.864 170 H HN 0.465 nan 8.280 nan 0.000 0.529 171 E N 0.879 120.992 120.200 -0.144 0.000 2.150 171 E HA -0.083 4.258 4.350 -0.015 0.000 0.193 171 E C 0.337 177.011 176.600 0.124 0.000 0.985 171 E CA 1.985 58.382 56.400 -0.005 0.000 0.814 171 E CB 0.258 29.916 29.700 -0.069 0.000 0.752 171 E HN 0.255 nan 8.360 nan 0.000 0.466 172 V N 0.352 120.432 119.914 0.276 0.000 3.177 172 V HA 0.127 4.238 4.120 -0.015 0.000 0.219 172 V C 1.015 177.191 176.094 0.135 0.000 1.344 172 V CA -0.214 62.197 62.300 0.185 0.000 1.324 172 V CB 0.247 32.171 31.823 0.169 0.000 1.165 172 V HN 0.029 nan 8.190 nan 0.000 0.510 173 L N 2.899 124.197 121.223 0.124 0.000 2.455 173 L HA 0.235 4.565 4.340 -0.015 0.000 0.272 173 L C 0.136 177.005 176.870 -0.002 0.000 1.174 173 L CA 0.295 55.089 54.840 -0.076 0.000 0.869 173 L CB 0.044 41.908 42.059 -0.325 0.000 1.130 173 L HN 0.336 nan 8.230 nan 0.000 0.474 174 N N 5.302 123.990 118.700 -0.020 0.000 2.767 174 N HA 0.151 4.881 4.740 -0.015 0.000 0.238 174 N C 0.921 176.462 175.510 0.052 0.000 1.083 174 N CA -0.146 52.935 53.050 0.051 0.000 0.964 174 N CB 1.239 39.774 38.487 0.081 0.000 1.252 174 N HN 0.620 nan 8.380 nan 0.000 0.512 175 L N 0.519 121.795 121.223 0.089 0.000 2.191 175 L HA -0.142 4.189 4.340 -0.015 0.000 0.212 175 L C 2.320 179.319 176.870 0.214 0.000 1.103 175 L CA 1.213 56.140 54.840 0.146 0.000 0.769 175 L CB -0.443 41.738 42.059 0.203 0.000 0.908 175 L HN 0.467 nan 8.230 nan 0.000 0.438 176 T N -3.925 110.751 114.554 0.203 0.000 3.129 176 T HA 0.054 4.395 4.350 -0.015 0.000 0.251 176 T C 1.529 176.384 174.700 0.258 0.000 1.117 176 T CA 0.057 62.293 62.100 0.227 0.000 1.034 176 T CB 0.073 69.056 68.868 0.193 0.000 0.968 176 T HN 0.325 nan 8.240 nan 0.000 0.526 177 R N 0.924 121.590 120.500 0.276 0.000 2.541 177 R HA 0.220 4.551 4.340 -0.015 0.000 0.332 177 R C 0.498 177.086 176.300 0.480 0.000 0.951 177 R CA 0.108 56.456 56.100 0.414 0.000 1.136 177 R CB 0.279 30.774 30.300 0.325 0.000 1.449 177 R HN 0.402 nan 8.270 nan 0.000 0.531 178 N N -0.201 118.672 118.700 0.288 0.000 2.351 178 N HA 0.076 4.807 4.740 -0.015 0.000 0.254 178 N C 0.854 176.479 175.510 0.192 0.000 1.241 178 N CA 0.430 53.561 53.050 0.135 0.000 0.883 178 N CB 1.070 39.460 38.487 -0.161 0.000 1.202 178 N HN 0.188 nan 8.380 nan 0.000 0.512 179 G N 0.315 109.364 108.800 0.416 0.000 2.245 179 G HA2 -0.411 3.540 3.960 -0.015 0.000 0.264 179 G HA3 -0.411 3.540 3.960 -0.015 0.000 0.264 179 G C 0.503 175.658 174.900 0.424 0.000 0.985 179 G CA 0.713 46.093 45.100 0.467 0.000 0.625 179 G HN 0.337 nan 8.290 nan 0.000 0.536 180 Y N 0.883 121.257 120.300 0.122 0.000 2.153 180 Y HA 0.364 4.905 4.550 -0.016 0.000 0.289 180 Y C 2.290 178.346 175.900 0.261 0.000 1.127 180 Y CA 1.451 59.647 58.100 0.160 0.000 1.131 180 Y CB -0.824 37.739 38.460 0.171 0.000 0.995 180 Y HN 1.414 nan 8.280 nan 0.000 0.505 181 G N -0.321 108.727 108.800 0.413 0.000 2.795 181 G HA2 0.113 4.063 3.960 -0.015 0.000 0.664 181 G HA3 0.113 4.063 3.960 -0.015 0.000 0.664 181 G C -0.446 174.631 174.900 0.296 0.000 1.381 181 G CA -0.288 45.000 45.100 0.313 0.000 0.853 181 G HN 0.856 nan 8.290 nan 0.000 0.545 182 S N -1.909 113.943 115.700 0.253 0.000 2.615 182 S HA 0.804 5.264 4.470 -0.015 0.000 0.269 182 S C -0.232 174.504 174.600 0.226 0.000 1.161 182 S CA 0.162 58.513 58.200 0.252 0.000 0.817 182 S CB 1.529 64.889 63.200 0.267 0.000 1.131 182 S HN 1.626 nan 8.310 nan 0.000 0.467 183 T N 2.775 117.471 114.554 0.236 0.000 2.926 183 T HA 0.351 4.692 4.350 -0.015 0.000 0.307 183 T C -0.562 174.237 174.700 0.166 0.000 1.059 183 T CA -0.161 62.039 62.100 0.165 0.000 1.122 183 T CB 0.166 69.121 68.868 0.146 0.000 0.972 183 T HN 0.505 nan 8.240 nan 0.000 0.545 184 Q N 1.553 121.363 119.800 0.016 0.000 2.337 184 Q HA 0.370 4.701 4.340 -0.015 0.000 0.266 184 Q C -1.387 174.539 176.000 -0.123 0.000 1.023 184 Q CA -0.498 55.344 55.803 0.066 0.000 0.829 184 Q CB 1.981 30.782 28.738 0.106 0.000 1.306 184 Q HN 0.689 nan 8.270 nan 0.000 0.449 185 Y N 1.751 122.144 120.300 0.156 0.000 2.345 185 Y HA 0.446 4.987 4.550 -0.015 0.000 0.331 185 Y C 0.183 176.171 175.900 0.147 0.000 0.959 185 Y CA -0.450 57.749 58.100 0.167 0.000 1.204 185 Y CB 1.205 39.756 38.460 0.151 0.000 1.135 185 Y HN 0.417 nan 8.280 nan 0.000 0.477 186 I N 4.873 125.601 120.570 0.263 0.000 2.304 186 I HA 0.366 4.527 4.170 -0.015 0.000 0.291 186 I C -0.035 176.259 176.117 0.296 0.000 1.018 186 I CA -0.720 60.722 61.300 0.236 0.000 1.260 186 I CB 0.871 38.967 38.000 0.159 0.000 1.390 186 I HN 0.474 nan 8.210 nan 0.000 0.475 187 R N 5.948 126.628 120.500 0.301 0.000 2.267 187 R HA 0.477 4.808 4.340 -0.015 0.000 0.319 187 R C -1.038 175.544 176.300 0.470 0.000 1.067 187 R CA -0.061 56.244 56.100 0.341 0.000 0.936 187 R CB 0.702 31.166 30.300 0.274 0.000 1.006 187 R HN 0.429 nan 8.270 nan 0.000 0.452 188 F N 0.619 120.687 119.950 0.196 0.000 2.654 188 F HA 0.384 4.902 4.527 -0.014 0.000 0.308 188 F C -1.182 174.668 175.800 0.083 0.000 1.108 188 F CA -0.607 57.294 58.000 -0.164 0.000 0.957 188 F CB 2.289 41.149 39.000 -0.234 0.000 1.309 188 F HN 0.366 nan 8.300 nan 0.000 0.446 189 S N 3.912 118.924 115.700 -1.146 0.000 2.547 189 S HA 0.632 5.093 4.470 -0.015 0.000 0.281 189 S C -2.644 171.217 174.600 -1.232 0.000 1.118 189 S CA -1.446 56.393 58.200 -0.600 0.000 0.947 189 S CB 2.224 65.527 63.200 0.172 0.000 1.053 189 S HN 0.472 nan 8.310 nan 0.000 0.482 190 P HA 0.327 nan 4.420 nan 0.000 0.268 190 P C -0.193 176.946 177.300 -0.269 0.000 1.329 190 P CA 0.029 62.867 63.100 -0.436 0.000 0.899 190 P CB 0.203 31.733 31.700 -0.283 0.000 1.378 191 D N -0.649 119.640 120.400 -0.184 0.000 2.349 191 D HA 0.158 4.789 4.640 -0.015 0.000 0.214 191 D C 0.122 175.984 176.300 -0.729 0.000 1.063 191 D CA 0.599 54.392 54.000 -0.345 0.000 0.847 191 D CB 0.185 40.838 40.800 -0.246 0.000 0.933 191 D HN 0.191 nan 8.370 nan 0.000 0.513 192 F N -0.760 119.079 119.950 -0.185 0.000 2.643 192 F HA 0.488 5.006 4.527 -0.016 0.000 0.314 192 F C 0.309 176.048 175.800 -0.102 0.000 1.096 192 F CA -0.840 57.066 58.000 -0.156 0.000 0.953 192 F CB 2.293 41.155 39.000 -0.229 0.000 1.345 192 F HN -0.457 nan 8.300 nan 0.000 0.468 193 T N 0.320 114.936 114.554 0.103 0.000 2.786 193 T HA 0.611 4.952 4.350 -0.015 0.000 0.316 193 T C -1.759 172.940 174.700 -0.001 0.000 1.503 193 T CA -0.662 61.477 62.100 0.065 0.000 1.019 193 T CB 0.612 69.657 68.868 0.295 0.000 1.415 193 T HN 0.269 nan 8.240 nan 0.000 0.496 194 F N 0.785 120.911 119.950 0.294 0.000 2.403 194 F HA 0.690 5.208 4.527 -0.015 0.000 0.326 194 F C 1.270 177.295 175.800 0.375 0.000 1.081 194 F CA -0.492 57.662 58.000 0.258 0.000 1.041 194 F CB 1.141 40.254 39.000 0.188 0.000 1.234 194 F HN 0.653 nan 8.300 nan 0.000 0.503 195 G N 0.989 110.120 108.800 0.552 0.000 2.379 195 G HA2 0.621 4.572 3.960 -0.015 0.000 0.327 195 G HA3 0.621 4.572 3.960 -0.015 0.000 0.327 195 G C -1.657 173.493 174.900 0.416 0.000 1.145 195 G CA -0.522 44.868 45.100 0.483 0.000 0.905 195 G HN 0.609 nan 8.290 nan 0.000 0.466 196 F N -0.731 119.328 119.950 0.181 0.000 2.643 196 F HA 0.796 5.314 4.527 -0.015 0.000 0.314 196 F C -0.640 175.247 175.800 0.146 0.000 1.096 196 F CA -1.444 56.631 58.000 0.125 0.000 0.953 196 F CB 1.590 40.636 39.000 0.078 0.000 1.345 196 F HN 0.393 nan 8.300 nan 0.000 0.468 197 E N 0.691 120.977 120.200 0.144 0.000 2.183 197 E HA 0.427 4.768 4.350 -0.015 0.000 0.271 197 E C -1.490 175.211 176.600 0.168 0.000 0.919 197 E CA -0.961 55.488 56.400 0.081 0.000 0.781 197 E CB 2.173 31.927 29.700 0.091 0.000 1.140 197 E HN 0.532 nan 8.360 nan 0.000 0.402 198 E N 0.756 121.036 120.200 0.133 0.000 2.212 198 E HA 0.327 4.668 4.350 -0.015 0.000 0.268 198 E C -1.276 175.378 176.600 0.090 0.000 0.902 198 E CA -0.648 55.814 56.400 0.102 0.000 0.779 198 E CB 1.346 31.049 29.700 0.004 0.000 1.172 198 E HN 0.368 nan 8.360 nan 0.000 0.409 199 S N 4.412 120.150 115.700 0.063 0.000 2.327 199 S HA 0.360 4.821 4.470 -0.015 0.000 0.203 199 S C -0.209 174.414 174.600 0.039 0.000 1.326 199 S CA -0.584 57.652 58.200 0.060 0.000 1.248 199 S CB 0.127 63.364 63.200 0.061 0.000 1.199 199 S HN 0.420 nan 8.310 nan 0.000 0.422 200 L N 0.262 121.504 121.223 0.032 0.000 2.877 200 L HA 0.378 4.709 4.340 -0.015 0.000 0.275 200 L C 1.647 178.536 176.870 0.031 0.000 1.027 200 L CA 0.637 55.489 54.840 0.020 0.000 1.135 200 L CB -0.701 41.355 42.059 -0.005 0.000 2.080 200 L HN 0.326 nan 8.230 nan 0.000 0.560 201 E N 1.047 121.269 120.200 0.037 0.000 2.338 201 E HA -0.079 4.262 4.350 -0.015 0.000 0.197 201 E C 2.116 178.757 176.600 0.067 0.000 1.007 201 E CA 1.285 57.725 56.400 0.066 0.000 0.849 201 E CB -0.068 29.691 29.700 0.098 0.000 0.774 201 E HN 0.428 nan 8.360 nan 0.000 0.506 202 V N 1.509 121.462 119.914 0.064 0.000 2.439 202 V HA -0.275 3.836 4.120 -0.015 0.000 0.253 202 V C 1.731 177.854 176.094 0.050 0.000 1.074 202 V CA 2.266 64.604 62.300 0.063 0.000 1.076 202 V CB -0.924 30.939 31.823 0.066 0.000 0.664 202 V HN 0.137 nan 8.190 nan 0.000 0.461 203 D N -0.667 119.761 120.400 0.046 0.000 2.336 203 D HA -0.010 4.621 4.640 -0.015 0.000 0.229 203 D C 1.573 177.892 176.300 0.033 0.000 1.061 203 D CA 1.144 55.167 54.000 0.039 0.000 0.875 203 D CB 0.366 41.190 40.800 0.039 0.000 0.904 203 D HN 0.560 nan 8.370 nan 0.000 0.525 204 T N -1.348 113.227 114.554 0.034 0.000 3.130 204 T HA 0.151 4.492 4.350 -0.015 0.000 0.288 204 T C -0.307 174.399 174.700 0.010 0.000 0.936 204 T CA -0.381 61.733 62.100 0.024 0.000 0.897 204 T CB -0.199 68.690 68.868 0.034 0.000 1.178 204 T HN -0.039 nan 8.240 nan 0.000 0.543 205 N N 1.476 120.187 118.700 0.018 0.000 3.029 205 N HA 0.196 4.927 4.740 -0.015 0.000 0.198 205 N C -2.646 172.881 175.510 0.029 0.000 1.444 205 N CA -0.546 52.508 53.050 0.008 0.000 0.784 205 N CB 2.126 40.624 38.487 0.020 0.000 1.539 205 N HN 0.192 nan 8.380 nan 0.000 0.582 206 P HA -0.021 nan 4.420 nan 0.000 0.214 206 P C 0.768 178.091 177.300 0.037 0.000 1.162 206 P CA 0.327 63.446 63.100 0.030 0.000 0.871 206 P CB 0.845 32.556 31.700 0.020 0.000 0.783 207 L N 1.136 122.375 121.223 0.027 0.000 2.384 207 L HA 0.317 4.648 4.340 -0.015 0.000 0.258 207 L C -0.304 176.593 176.870 0.044 0.000 1.266 207 L CA -0.259 54.599 54.840 0.030 0.000 1.162 207 L CB -1.531 40.538 42.059 0.016 0.000 1.375 207 L HN -0.124 nan 8.230 nan 0.000 0.420 208 L N 4.777 126.043 121.223 0.072 0.000 2.406 208 L HA 0.809 5.140 4.340 -0.015 0.000 0.270 208 L C 0.635 177.588 176.870 0.139 0.000 0.982 208 L CA 0.160 55.074 54.840 0.124 0.000 0.843 208 L CB 0.891 43.042 42.059 0.154 0.000 1.225 208 L HN 0.664 nan 8.230 nan 0.000 0.412 209 G N 3.380 112.241 108.800 0.101 0.000 2.591 209 G HA2 -0.038 3.913 3.960 -0.015 0.000 0.278 209 G HA3 -0.038 3.913 3.960 -0.015 0.000 0.278 209 G C 0.199 175.094 174.900 -0.009 0.000 1.293 209 G CA 0.376 45.483 45.100 0.011 0.000 0.930 209 G HN 1.715 nan 8.290 nan 0.000 0.562 210 A N -3.054 119.719 122.820 -0.078 0.000 1.766 210 A HA 0.733 5.044 4.320 -0.015 0.000 0.172 210 A C 1.767 179.306 177.584 -0.074 0.000 1.489 210 A CA 1.452 53.467 52.037 -0.037 0.000 1.662 210 A CB -0.555 18.420 19.000 -0.042 0.000 1.591 210 A HN 2.444 nan 8.150 nan 0.000 0.804 211 G N 1.019 109.718 108.800 -0.168 0.000 2.679 211 G HA2 0.415 4.365 3.960 -0.015 0.000 0.202 211 G HA3 0.415 4.365 3.960 -0.015 0.000 0.202 211 G C -0.010 174.724 174.900 -0.277 0.000 1.566 211 G CA -0.243 44.755 45.100 -0.170 0.000 1.074 211 G HN 0.431 nan 8.290 nan 0.000 0.564 212 K N -0.813 119.419 120.400 -0.280 0.000 2.149 212 K HA 0.355 4.666 4.320 -0.015 0.000 0.245 212 K C -1.181 175.011 176.600 -0.679 0.000 1.024 212 K CA 0.265 56.370 56.287 -0.303 0.000 0.899 212 K CB 0.654 33.095 32.500 -0.099 0.000 1.038 212 K HN 0.262 nan 8.250 nan 0.000 0.496 213 F N -0.899 118.675 119.950 -0.626 0.000 2.603 213 F HA 0.427 4.946 4.527 -0.014 0.000 0.317 213 F C -0.109 175.279 175.800 -0.688 0.000 1.066 213 F CA -1.023 56.538 58.000 -0.730 0.000 0.941 213 F CB 1.820 40.322 39.000 -0.830 0.000 1.291 213 F HN 0.474 nan 8.300 nan 0.000 0.472 214 A N 0.866 123.485 122.820 -0.335 0.000 2.292 214 A HA 0.619 4.930 4.320 -0.015 0.000 0.319 214 A C -0.475 177.308 177.584 0.331 0.000 1.206 214 A CA -0.531 51.386 52.037 -0.199 0.000 0.835 214 A CB 0.299 18.797 19.000 -0.836 0.000 1.164 214 A HN 0.675 nan 8.150 nan 0.000 0.505 215 T N 2.248 117.115 114.554 0.521 0.000 2.888 215 T HA 0.099 4.439 4.350 -0.015 0.000 0.301 215 T C 0.095 175.054 174.700 0.432 0.000 1.001 215 T CA 0.309 62.691 62.100 0.470 0.000 1.147 215 T CB 0.210 69.347 68.868 0.449 0.000 0.931 215 T HN 0.667 nan 8.240 nan 0.000 0.541 216 D N 4.520 125.136 120.400 0.361 0.000 2.371 216 D HA 0.070 4.701 4.640 -0.015 0.000 0.256 216 D C -1.176 175.232 176.300 0.181 0.000 1.193 216 D CA -2.209 51.995 54.000 0.339 0.000 0.881 216 D CB 1.448 42.361 40.800 0.189 0.000 1.143 216 D HN 0.175 nan 8.370 nan 0.000 0.473 217 P HA -0.094 nan 4.420 nan 0.000 0.222 217 P C 0.968 178.255 177.300 -0.020 0.000 1.147 217 P CA 0.650 63.810 63.100 0.101 0.000 0.790 217 P CB 0.174 31.885 31.700 0.018 0.000 0.780 218 A N 0.103 122.821 122.820 -0.171 0.000 1.933 218 A HA -0.106 4.205 4.320 -0.015 0.000 0.218 218 A C 2.425 179.801 177.584 -0.346 0.000 1.175 218 A CA 1.558 53.373 52.037 -0.369 0.000 0.628 218 A CB -1.577 17.027 19.000 -0.659 0.000 0.814 218 A HN 0.071 nan 8.150 nan 0.000 0.444 219 V N -0.403 119.374 119.914 -0.229 0.000 2.358 219 V HA -0.212 3.899 4.120 -0.015 0.000 0.246 219 V C 2.753 178.828 176.094 -0.032 0.000 1.047 219 V CA 2.460 64.741 62.300 -0.031 0.000 1.035 219 V CB -1.119 30.748 31.823 0.075 0.000 0.658 219 V HN 0.604 nan 8.190 nan 0.000 0.452 220 T N 0.508 115.091 114.554 0.047 0.000 2.746 220 T HA -0.186 4.155 4.350 -0.015 0.000 0.267 220 T C 1.875 176.557 174.700 -0.030 0.000 1.039 220 T CA 1.776 63.961 62.100 0.142 0.000 1.142 220 T CB -0.337 68.753 68.868 0.370 0.000 0.866 220 T HN 0.291 nan 8.240 nan 0.000 0.444 221 L N 1.438 122.486 121.223 -0.290 0.000 2.093 221 L HA 0.138 4.469 4.340 -0.015 0.000 0.208 221 L C 2.540 179.098 176.870 -0.519 0.000 1.085 221 L CA 1.677 56.103 54.840 -0.690 0.000 0.755 221 L CB -1.127 40.340 42.059 -0.987 0.000 0.904 221 L HN 0.209 nan 8.230 nan 0.000 0.435 222 A N -1.140 121.388 122.820 -0.488 0.000 1.877 222 A HA -0.321 3.990 4.320 -0.015 0.000 0.216 222 A C 2.274 179.626 177.584 -0.386 0.000 1.186 222 A CA 1.818 53.472 52.037 -0.639 0.000 0.620 222 A CB -1.150 17.191 19.000 -1.098 0.000 0.822 222 A HN 0.718 nan 8.150 nan 0.000 0.443 223 H N -0.181 118.720 119.070 -0.281 0.000 2.289 223 H HA -0.181 4.366 4.556 -0.014 0.000 0.294 223 H C 1.963 177.199 175.328 -0.154 0.000 1.095 223 H CA 2.291 58.233 56.048 -0.178 0.000 1.256 223 H CB 0.083 29.820 29.762 -0.041 0.000 1.359 223 H HN 0.396 nan 8.280 nan 0.000 0.487 224 E N 0.312 120.547 120.200 0.057 0.000 2.110 224 E HA -0.116 4.224 4.350 -0.015 0.000 0.193 224 E C 2.610 179.174 176.600 -0.059 0.000 0.988 224 E CA 0.897 57.355 56.400 0.096 0.000 0.804 224 E CB -0.296 29.436 29.700 0.053 0.000 0.745 224 E HN 0.562 nan 8.360 nan 0.000 0.458 225 L N 0.204 121.301 121.223 -0.211 0.000 2.093 225 L HA -0.107 4.224 4.340 -0.015 0.000 0.208 225 L C 2.461 179.198 176.870 -0.221 0.000 1.085 225 L CA 0.629 55.344 54.840 -0.207 0.000 0.755 225 L CB -0.408 41.468 42.059 -0.305 0.000 0.904 225 L HN 0.071 nan 8.230 nan 0.000 0.435 226 I N -0.814 119.565 120.570 -0.319 0.000 2.118 226 I HA -0.372 3.789 4.170 -0.015 0.000 0.241 226 I C 2.702 178.452 176.117 -0.612 0.000 1.070 226 I CA 1.319 62.363 61.300 -0.427 0.000 1.327 226 I CB -0.604 37.134 38.000 -0.436 0.000 1.034 226 I HN 0.315 nan 8.210 nan 0.000 0.405 227 H N 0.592 119.425 119.070 -0.395 0.000 2.319 227 H HA -0.160 4.387 4.556 -0.014 0.000 0.297 227 H C 2.353 177.603 175.328 -0.131 0.000 1.097 227 H CA 1.765 57.663 56.048 -0.249 0.000 1.285 227 H CB -0.484 29.228 29.762 -0.083 0.000 1.368 227 H HN 0.415 nan 8.280 nan 0.000 0.495 228 A N 0.727 123.579 122.820 0.054 0.000 1.933 228 A HA -0.106 4.205 4.320 -0.015 0.000 0.218 228 A C 2.867 180.511 177.584 0.100 0.000 1.175 228 A CA 1.612 53.701 52.037 0.087 0.000 0.628 228 A CB -1.122 17.919 19.000 0.069 0.000 0.814 228 A HN 0.483 nan 8.150 nan 0.000 0.444 229 G N -0.856 107.955 108.800 0.018 0.000 2.446 229 G HA2 -0.263 3.688 3.960 -0.015 0.000 0.217 229 G HA3 -0.263 3.688 3.960 -0.015 0.000 0.217 229 G C 1.360 176.423 174.900 0.272 0.000 1.168 229 G CA 1.219 46.400 45.100 0.135 0.000 0.771 229 G HN 0.805 nan 8.290 nan 0.000 0.551 230 H N -0.085 119.080 119.070 0.159 0.000 2.423 230 H HA 0.062 4.609 4.556 -0.016 0.000 0.297 230 H C 2.868 178.311 175.328 0.191 0.000 1.075 230 H CA 0.832 56.956 56.048 0.126 0.000 1.342 230 H CB 0.164 29.956 29.762 0.050 0.000 1.395 230 H HN 0.266 nan 8.280 nan 0.000 0.530 231 R N 0.132 120.818 120.500 0.309 0.000 2.210 231 R HA 0.057 4.388 4.340 -0.015 0.000 0.203 231 R C 1.956 178.415 176.300 0.266 0.000 1.010 231 R CA 0.272 56.530 56.100 0.264 0.000 1.008 231 R CB 0.199 30.628 30.300 0.215 0.000 0.923 231 R HN 0.251 nan 8.270 nan 0.000 0.469 232 L N -0.682 120.702 121.223 0.268 0.000 2.179 232 L HA -0.080 4.250 4.340 -0.015 0.000 0.208 232 L C 1.028 177.979 176.870 0.136 0.000 1.096 232 L CA 1.034 55.989 54.840 0.191 0.000 0.779 232 L CB 0.039 42.184 42.059 0.143 0.000 0.922 232 L HN 0.183 nan 8.230 nan 0.000 0.443 233 Y N -0.259 120.184 120.300 0.237 0.000 2.493 233 Y HA 0.257 4.799 4.550 -0.013 0.000 0.275 233 Y C 1.666 177.811 175.900 0.408 0.000 1.183 233 Y CA 0.124 58.403 58.100 0.299 0.000 1.258 233 Y CB -0.110 38.533 38.460 0.305 0.000 1.108 233 Y HN 0.188 nan 8.280 nan 0.000 0.521 234 G N 1.854 110.913 108.800 0.431 0.000 2.249 234 G HA2 -0.316 3.635 3.960 -0.015 0.000 0.273 234 G HA3 -0.316 3.635 3.960 -0.015 0.000 0.273 234 G C 0.768 175.878 174.900 0.350 0.000 1.036 234 G CA 0.865 46.202 45.100 0.395 0.000 0.824 234 G HN 0.688 nan 8.290 nan 0.000 0.504 235 I N -2.849 117.813 120.570 0.153 0.000 3.974 235 I HA 0.724 4.885 4.170 -0.015 0.000 0.334 235 I C 1.084 176.927 176.117 -0.456 0.000 1.437 235 I CA -0.002 61.007 61.300 -0.485 0.000 1.113 235 I CB 0.266 37.998 38.000 -0.447 0.000 1.063 235 I HN 0.339 nan 8.210 nan 0.000 0.400 236 A N 2.084 124.890 122.820 -0.023 0.000 2.531 236 A HA 0.392 4.703 4.320 -0.015 0.000 0.236 236 A C 0.147 177.768 177.584 0.061 0.000 1.062 236 A CA 0.007 52.066 52.037 0.037 0.000 0.760 236 A CB -0.017 19.079 19.000 0.160 0.000 0.995 236 A HN 0.482 nan 8.150 nan 0.000 0.501 237 I N 2.527 123.087 120.570 -0.017 0.000 2.496 237 I HA -0.004 4.157 4.170 -0.015 0.000 0.285 237 I C 1.222 177.333 176.117 -0.010 0.000 1.080 237 I CA -0.104 61.146 61.300 -0.082 0.000 1.404 237 I CB 0.506 38.318 38.000 -0.313 0.000 1.403 237 I HN 0.832 nan 8.210 nan 0.000 0.539 238 N N 8.803 127.492 118.700 -0.017 0.000 2.294 238 N HA -0.044 4.687 4.740 -0.015 0.000 0.263 238 N C -1.621 173.902 175.510 0.021 0.000 1.281 238 N CA -0.925 52.131 53.050 0.010 0.000 0.846 238 N CB 0.932 39.405 38.487 -0.022 0.000 1.061 238 N HN 0.365 nan 8.380 nan 0.000 0.478 239 P HA -0.058 nan 4.420 nan 0.000 0.230 239 P C 0.223 177.561 177.300 0.064 0.000 1.158 239 P CA 0.788 63.927 63.100 0.064 0.000 0.769 239 P CB 0.169 31.905 31.700 0.060 0.000 0.807 240 N N 0.143 118.867 118.700 0.041 0.000 2.453 240 N HA -0.110 4.621 4.740 -0.015 0.000 0.183 240 N C 0.917 176.443 175.510 0.026 0.000 1.041 240 N CA 0.686 53.756 53.050 0.034 0.000 0.900 240 N CB -0.622 37.874 38.487 0.015 0.000 0.961 240 N HN 0.059 nan 8.380 nan 0.000 0.443 241 R N 1.483 121.987 120.500 0.006 0.000 2.325 241 R HA 0.180 4.511 4.340 -0.015 0.000 0.323 241 R C -0.757 175.621 176.300 0.131 0.000 1.177 241 R CA -0.247 55.812 56.100 -0.068 0.000 1.018 241 R CB -0.193 29.998 30.300 -0.183 0.000 1.070 241 R HN -0.069 nan 8.270 nan 0.000 0.495 242 V N 0.393 120.444 119.914 0.228 0.000 3.074 242 V HA 0.581 4.692 4.120 -0.015 0.000 0.314 242 V C -0.575 175.861 176.094 0.571 0.000 1.117 242 V CA -1.200 61.356 62.300 0.426 0.000 1.014 242 V CB 1.820 33.788 31.823 0.241 0.000 1.057 242 V HN 0.454 nan 8.190 nan 0.000 0.438 243 F N 3.442 123.591 119.950 0.333 0.000 2.451 243 F HA 0.464 4.982 4.527 -0.016 0.000 0.356 243 F C 0.941 176.830 175.800 0.148 0.000 1.178 243 F CA -0.747 57.389 58.000 0.226 0.000 1.210 243 F CB 0.194 39.261 39.000 0.110 0.000 1.504 243 F HN 0.671 nan 8.300 nan 0.000 0.598 244 K N 3.283 123.616 120.400 -0.111 0.000 2.350 244 K HA 0.510 4.821 4.320 -0.015 0.000 0.279 244 K C -1.072 175.429 176.600 -0.165 0.000 1.027 244 K CA -0.612 55.625 56.287 -0.084 0.000 0.969 244 K CB 1.254 33.701 32.500 -0.089 0.000 0.954 244 K HN 0.268 nan 8.250 nan 0.000 0.474 245 V N 3.137 122.986 119.914 -0.108 0.000 2.513 245 V HA 0.149 4.259 4.120 -0.015 0.000 0.299 245 V C -0.290 175.677 176.094 -0.213 0.000 1.035 245 V CA -1.101 61.090 62.300 -0.182 0.000 0.889 245 V CB 1.512 33.282 31.823 -0.089 0.000 0.988 245 V HN 0.879 nan 8.190 nan 0.000 0.440 246 N N 1.779 120.322 118.700 -0.263 0.000 2.482 246 N HA 0.344 5.075 4.740 -0.015 0.000 0.260 246 N C 0.517 175.879 175.510 -0.248 0.000 1.236 246 N CA 0.053 52.955 53.050 -0.246 0.000 0.938 246 N CB 0.914 39.233 38.487 -0.280 0.000 1.128 246 N HN 0.740 nan 8.380 nan 0.000 0.448 247 T N -0.518 113.903 114.554 -0.223 0.000 3.191 247 T HA 0.190 4.531 4.350 -0.015 0.000 0.285 247 T C 0.394 174.993 174.700 -0.169 0.000 0.887 247 T CA -0.082 61.893 62.100 -0.207 0.000 0.881 247 T CB -0.047 68.696 68.868 -0.209 0.000 1.217 247 T HN 0.360 nan 8.240 nan 0.000 0.591 248 N N 1.727 120.330 118.700 -0.161 0.000 2.415 248 N HA 0.392 5.123 4.740 -0.015 0.000 0.176 248 N C 0.636 176.081 175.510 -0.108 0.000 1.042 248 N CA 0.552 53.555 53.050 -0.077 0.000 0.902 248 N CB 0.229 38.681 38.487 -0.059 0.000 0.986 248 N HN 0.466 nan 8.380 nan 0.000 0.447 249 A N 0.388 122.993 122.820 -0.358 0.000 2.425 249 A HA 0.127 4.438 4.320 -0.015 0.000 0.249 249 A C 0.851 177.920 177.584 -0.859 0.000 1.084 249 A CA -0.435 51.224 52.037 -0.630 0.000 0.781 249 A CB -0.166 18.173 19.000 -1.101 0.000 1.019 249 A HN 0.476 nan 8.150 nan 0.000 0.490 250 Y N 1.480 121.215 120.300 -0.941 0.000 2.219 250 Y HA -0.357 4.184 4.550 -0.015 0.000 0.283 250 Y C 1.338 176.917 175.900 -0.535 0.000 1.191 250 Y CA 2.232 59.629 58.100 -1.172 0.000 1.199 250 Y CB -1.161 36.890 38.460 -0.682 0.000 0.972 250 Y HN 0.723 nan 8.280 nan 0.000 0.527 251 Y N -0.487 119.427 120.300 -0.643 0.000 2.457 251 Y HA 0.475 5.016 4.550 -0.016 0.000 0.263 251 Y C 0.004 175.928 175.900 0.039 0.000 1.164 251 Y CA -1.381 56.598 58.100 -0.201 0.000 1.274 251 Y CB -0.701 37.538 38.460 -0.369 0.000 1.097 251 Y HN 0.106 nan 8.280 nan 0.000 0.523 252 E N 1.537 121.526 120.200 -0.351 0.000 2.266 252 E HA 0.250 4.591 4.350 -0.015 0.000 0.277 252 E C -0.465 176.084 176.600 -0.084 0.000 1.018 252 E CA -0.670 55.634 56.400 -0.160 0.000 0.840 252 E CB 1.014 30.491 29.700 -0.371 0.000 1.082 252 E HN 0.216 nan 8.360 nan 0.000 0.395 253 M N 2.690 122.294 119.600 0.006 0.000 2.574 253 M HA -0.080 4.391 4.480 -0.015 0.000 0.349 253 M C 1.003 177.198 176.300 -0.176 0.000 1.735 253 M CA 0.313 55.580 55.300 -0.055 0.000 1.178 253 M CB 0.140 32.769 32.600 0.048 0.000 2.070 253 M HN 0.640 nan 8.290 nan 0.000 0.460 254 S N 2.250 117.832 115.700 -0.196 0.000 2.448 254 S HA -0.167 4.293 4.470 -0.015 0.000 0.250 254 S C 0.896 175.290 174.600 -0.343 0.000 1.088 254 S CA 1.281 59.367 58.200 -0.190 0.000 1.058 254 S CB -0.368 62.756 63.200 -0.127 0.000 0.873 254 S HN 0.988 nan 8.310 nan 0.000 0.473 255 G N -0.801 107.696 108.800 -0.505 0.000 2.338 255 G HA2 0.475 4.425 3.960 -0.015 0.000 0.295 255 G HA3 0.475 4.425 3.960 -0.015 0.000 0.295 255 G C -2.294 172.226 174.900 -0.633 0.000 1.461 255 G CA -0.699 43.718 45.100 -1.138 0.000 0.817 255 G HN 0.590 nan 8.290 nan 0.000 0.556 256 L N -0.008 120.918 121.223 -0.495 0.000 3.679 256 L HA 0.442 4.773 4.340 -0.015 0.000 0.250 256 L C -0.503 176.539 176.870 0.288 0.000 0.994 256 L CA -0.387 54.580 54.840 0.212 0.000 1.310 256 L CB 1.508 43.765 42.059 0.330 0.000 1.929 256 L HN 0.811 nan 8.230 nan 0.000 0.672 257 E N 3.467 123.910 120.200 0.405 0.000 2.324 257 E HA 0.569 4.909 4.350 -0.015 0.000 0.271 257 E C -1.277 175.441 176.600 0.196 0.000 1.028 257 E CA -0.303 56.271 56.400 0.289 0.000 0.890 257 E CB 0.887 30.741 29.700 0.257 0.000 1.004 257 E HN 0.475 nan 8.360 nan 0.000 0.431 258 V N 3.860 123.869 119.914 0.159 0.000 2.524 258 V HA 0.225 4.336 4.120 -0.015 0.000 0.297 258 V C -0.006 176.140 176.094 0.087 0.000 1.035 258 V CA -0.994 61.292 62.300 -0.024 0.000 0.867 258 V CB 1.153 32.834 31.823 -0.237 0.000 1.004 258 V HN 0.712 nan 8.190 nan 0.000 0.426 259 S N 3.256 119.001 115.700 0.074 0.000 2.632 259 S HA 0.581 5.042 4.470 -0.015 0.000 0.271 259 S C 0.623 175.343 174.600 0.199 0.000 1.260 259 S CA -0.328 57.991 58.200 0.199 0.000 1.010 259 S CB 0.970 64.265 63.200 0.158 0.000 0.965 259 S HN 0.375 nan 8.310 nan 0.000 0.534 260 F N 1.110 121.113 119.950 0.087 0.000 2.216 260 F HA 0.028 4.545 4.527 -0.017 0.000 0.300 260 F C 2.531 178.343 175.800 0.020 0.000 1.085 260 F CA 1.600 59.651 58.000 0.084 0.000 1.326 260 F CB -0.719 38.355 39.000 0.122 0.000 1.027 260 F HN 0.790 nan 8.300 nan 0.000 0.497 261 E N 0.694 121.010 120.200 0.194 0.000 2.051 261 E HA -0.245 4.096 4.350 -0.015 0.000 0.192 261 E C 2.034 178.747 176.600 0.188 0.000 0.991 261 E CA 1.634 58.123 56.400 0.148 0.000 0.799 261 E CB -0.269 29.529 29.700 0.164 0.000 0.748 261 E HN 0.247 nan 8.360 nan 0.000 0.449 262 E N -0.026 120.282 120.200 0.179 0.000 2.077 262 E HA -0.090 4.251 4.350 -0.015 0.000 0.193 262 E C 2.067 178.701 176.600 0.055 0.000 0.989 262 E CA 1.152 57.663 56.400 0.185 0.000 0.800 262 E CB -0.331 29.425 29.700 0.093 0.000 0.746 262 E HN 0.391 nan 8.360 nan 0.000 0.452 263 L N -0.090 121.087 121.223 -0.076 0.000 2.017 263 L HA -0.163 4.168 4.340 -0.015 0.000 0.208 263 L C 2.723 179.553 176.870 -0.068 0.000 1.073 263 L CA 1.654 56.381 54.840 -0.189 0.000 0.745 263 L CB -0.441 41.401 42.059 -0.362 0.000 0.894 263 L HN 0.133 nan 8.230 nan 0.000 0.432 264 R N -0.291 120.198 120.500 -0.018 0.000 2.119 264 R HA -0.200 4.131 4.340 -0.015 0.000 0.246 264 R C 2.080 178.394 176.300 0.022 0.000 1.146 264 R CA 2.295 58.395 56.100 -0.000 0.000 0.962 264 R CB -0.380 29.904 30.300 -0.027 0.000 0.863 264 R HN 0.247 nan 8.270 nan 0.000 0.442 265 T N -0.021 114.557 114.554 0.041 0.000 2.904 265 T HA -0.077 4.264 4.350 -0.015 0.000 0.267 265 T C 1.227 175.905 174.700 -0.037 0.000 1.059 265 T CA 1.181 63.241 62.100 -0.066 0.000 1.137 265 T CB -0.249 68.394 68.868 -0.375 0.000 0.879 265 T HN 0.279 nan 8.240 nan 0.000 0.467 266 F N 1.508 121.432 119.950 -0.045 0.000 2.163 266 F HA 0.254 4.772 4.527 -0.015 0.000 0.297 266 F C 1.698 177.476 175.800 -0.037 0.000 1.094 266 F CA 1.179 59.181 58.000 0.002 0.000 1.290 266 F CB -0.436 38.554 39.000 -0.017 0.000 1.017 266 F HN 0.364 nan 8.300 nan 0.000 0.483 267 G N -0.043 108.872 108.800 0.192 0.000 2.509 267 G HA2 0.030 3.981 3.960 -0.015 0.000 0.259 267 G HA3 0.030 3.981 3.960 -0.015 0.000 0.259 267 G C 0.842 175.837 174.900 0.157 0.000 1.169 267 G CA 0.047 45.193 45.100 0.076 0.000 0.953 267 G HN 1.446 nan 8.290 nan 0.000 0.563 268 G N -0.579 108.272 108.800 0.084 0.000 2.627 268 G HA2 -0.164 3.787 3.960 -0.015 0.000 0.312 268 G HA3 -0.164 3.787 3.960 -0.015 0.000 0.312 268 G C 0.941 175.928 174.900 0.145 0.000 1.299 268 G CA 3.038 48.218 45.100 0.134 0.000 0.989 268 G HN 2.704 nan 8.290 nan 0.000 0.547 269 H N -0.114 118.975 119.070 0.032 0.000 2.535 269 H HA 0.232 4.778 4.556 -0.016 0.000 0.273 269 H C 1.933 177.129 175.328 -0.220 0.000 0.983 269 H CA 1.214 57.248 56.048 -0.025 0.000 1.238 269 H CB 0.048 29.807 29.762 -0.004 0.000 1.412 269 H HN 0.394 nan 8.280 nan 0.000 0.562 270 D N 1.361 121.369 120.400 -0.654 0.000 2.117 270 D HA -0.083 4.548 4.640 -0.015 0.000 0.197 270 D C 2.269 178.123 176.300 -0.744 0.000 0.987 270 D CA 1.544 54.892 54.000 -1.088 0.000 0.829 270 D CB -0.488 39.859 40.800 -0.755 0.000 0.961 270 D HN 0.608 nan 8.370 nan 0.000 0.460 271 A N 0.167 122.816 122.820 -0.285 0.000 2.125 271 A HA -0.166 4.145 4.320 -0.015 0.000 0.219 271 A C 1.900 179.456 177.584 -0.046 0.000 1.156 271 A CA 1.217 53.175 52.037 -0.131 0.000 0.671 271 A CB -0.323 18.664 19.000 -0.021 0.000 0.794 271 A HN 0.092 nan 8.150 nan 0.000 0.459 272 K N -1.187 119.193 120.400 -0.034 0.000 2.487 272 K HA 0.136 4.447 4.320 -0.015 0.000 0.192 272 K C 0.730 177.540 176.600 0.350 0.000 1.027 272 K CA 0.177 56.560 56.287 0.160 0.000 1.054 272 K CB -0.063 32.550 32.500 0.188 0.000 0.824 272 K HN 0.439 nan 8.250 nan 0.000 0.510 273 F N 1.011 120.921 119.950 -0.066 0.000 2.367 273 F HA 0.080 4.597 4.527 -0.016 0.000 0.298 273 F C 0.835 176.735 175.800 0.166 0.000 1.094 273 F CA -0.150 57.855 58.000 0.008 0.000 1.409 273 F CB -0.406 38.353 39.000 -0.402 0.000 1.064 273 F HN -0.133 nan 8.300 nan 0.000 0.528 274 I N 2.175 122.904 120.570 0.264 0.000 2.517 274 I HA -0.029 4.132 4.170 -0.015 0.000 0.285 274 I C 0.186 176.518 176.117 0.359 0.000 1.106 274 I CA -0.478 61.017 61.300 0.324 0.000 1.402 274 I CB -0.029 38.164 38.000 0.323 0.000 1.399 274 I HN 0.078 nan 8.210 nan 0.000 0.535 275 D N 3.875 124.509 120.400 0.389 0.000 2.371 275 D HA 0.074 4.705 4.640 -0.015 0.000 0.242 275 D C 0.895 177.356 176.300 0.267 0.000 1.218 275 D CA -0.559 53.651 54.000 0.349 0.000 0.945 275 D CB 0.720 41.759 40.800 0.398 0.000 1.137 275 D HN 0.341 nan 8.370 nan 0.000 0.464 276 S N -0.478 115.364 115.700 0.237 0.000 2.382 276 S HA -0.128 4.333 4.470 -0.015 0.000 0.228 276 S C 1.567 176.238 174.600 0.118 0.000 1.027 276 S CA 0.314 58.620 58.200 0.177 0.000 0.991 276 S CB -0.396 62.902 63.200 0.163 0.000 0.823 276 S HN 0.484 nan 8.310 nan 0.000 0.469 277 L N 1.788 123.071 121.223 0.099 0.000 1.970 277 L HA -0.154 4.176 4.340 -0.015 0.000 0.212 277 L C 2.398 179.245 176.870 -0.038 0.000 1.071 277 L CA 1.864 56.722 54.840 0.030 0.000 0.751 277 L CB -0.717 41.358 42.059 0.027 0.000 0.889 277 L HN 0.296 nan 8.230 nan 0.000 0.432 278 Q N -1.081 118.698 119.800 -0.036 0.000 2.084 278 Q HA -0.260 4.071 4.340 -0.015 0.000 0.202 278 Q C 2.178 177.988 176.000 -0.317 0.000 0.978 278 Q CA 1.710 57.363 55.803 -0.250 0.000 0.844 278 Q CB -0.247 28.457 28.738 -0.058 0.000 0.898 278 Q HN 0.584 nan 8.270 nan 0.000 0.426 279 E N 0.638 120.875 120.200 0.062 0.000 2.085 279 E HA -0.232 4.109 4.350 -0.015 0.000 0.194 279 E C 1.468 178.163 176.600 0.158 0.000 0.994 279 E CA 1.060 57.599 56.400 0.231 0.000 0.801 279 E CB 0.112 29.964 29.700 0.254 0.000 0.743 279 E HN 0.328 nan 8.360 nan 0.000 0.453 280 N N 0.796 119.530 118.700 0.057 0.000 2.216 280 N HA -0.156 4.575 4.740 -0.015 0.000 0.183 280 N C 1.708 177.216 175.510 -0.003 0.000 1.017 280 N CA 0.923 53.997 53.050 0.040 0.000 0.861 280 N CB -0.322 38.181 38.487 0.026 0.000 0.986 280 N HN 0.374 nan 8.380 nan 0.000 0.428 281 E N 0.098 120.227 120.200 -0.118 0.000 2.070 281 E HA -0.186 4.155 4.350 -0.015 0.000 0.197 281 E C 1.258 177.839 176.600 -0.032 0.000 1.004 281 E CA 1.135 57.440 56.400 -0.159 0.000 0.805 281 E CB -0.070 29.407 29.700 -0.371 0.000 0.744 281 E HN 0.164 nan 8.360 nan 0.000 0.451 282 F N 0.739 120.754 119.950 0.108 0.000 2.113 282 F HA -0.027 4.490 4.527 -0.017 0.000 0.297 282 F C 2.671 178.604 175.800 0.222 0.000 1.103 282 F CA 1.308 59.424 58.000 0.193 0.000 1.248 282 F CB -0.935 38.277 39.000 0.353 0.000 0.999 282 F HN 0.017 nan 8.300 nan 0.000 0.475 283 R N 0.199 120.856 120.500 0.261 0.000 2.127 283 R HA -0.169 4.162 4.340 -0.015 0.000 0.238 283 R C 2.088 178.409 176.300 0.034 0.000 1.134 283 R CA 1.103 57.143 56.100 -0.100 0.000 0.975 283 R CB -0.532 29.682 30.300 -0.142 0.000 0.865 283 R HN 0.279 nan 8.270 nan 0.000 0.447 284 L N -0.404 120.864 121.223 0.074 0.000 2.131 284 L HA -0.066 4.265 4.340 -0.015 0.000 0.206 284 L C 1.837 178.746 176.870 0.064 0.000 1.087 284 L CA 1.483 56.366 54.840 0.070 0.000 0.767 284 L CB -0.591 41.501 42.059 0.055 0.000 0.917 284 L HN 0.207 nan 8.230 nan 0.000 0.441 285 Y N -1.053 119.203 120.300 -0.073 0.000 2.145 285 Y HA -0.316 4.224 4.550 -0.016 0.000 0.286 285 Y C 2.116 177.872 175.900 -0.238 0.000 1.145 285 Y CA 2.114 60.092 58.100 -0.203 0.000 1.148 285 Y CB -0.395 37.879 38.460 -0.310 0.000 0.981 285 Y HN 0.258 nan 8.280 nan 0.000 0.507 286 Y N -2.311 118.114 120.300 0.207 0.000 2.337 286 Y HA -0.199 4.341 4.550 -0.017 0.000 0.293 286 Y C 2.258 178.082 175.900 -0.127 0.000 1.123 286 Y CA 1.108 59.301 58.100 0.156 0.000 1.201 286 Y CB -0.784 37.890 38.460 0.358 0.000 1.011 286 Y HN 0.234 nan 8.280 nan 0.000 0.545 287 Y N 1.763 121.793 120.300 -0.450 0.000 2.081 287 Y HA -0.326 4.219 4.550 -0.009 0.000 0.280 287 Y C 2.002 177.621 175.900 -0.469 0.000 1.163 287 Y CA 1.715 59.165 58.100 -1.083 0.000 1.135 287 Y CB -0.758 37.131 38.460 -0.952 0.000 0.970 287 Y HN 0.090 nan 8.280 nan 0.000 0.498 288 N N 0.165 118.591 118.700 -0.457 0.000 2.244 288 N HA -0.143 4.588 4.740 -0.015 0.000 0.183 288 N C 1.635 176.953 175.510 -0.319 0.000 1.016 288 N CA 1.211 53.987 53.050 -0.457 0.000 0.866 288 N CB -0.155 38.126 38.487 -0.344 0.000 0.980 288 N HN 0.368 nan 8.380 nan 0.000 0.430 289 K N 0.332 120.599 120.400 -0.221 0.000 2.211 289 K HA -0.015 4.296 4.320 -0.015 0.000 0.203 289 K C 1.750 178.397 176.600 0.079 0.000 1.050 289 K CA 0.459 56.705 56.287 -0.068 0.000 0.945 289 K CB -0.373 32.162 32.500 0.058 0.000 0.732 289 K HN 0.143 nan 8.250 nan 0.000 0.451 290 F N 1.923 121.768 119.950 -0.174 0.000 2.146 290 F HA -0.056 4.462 4.527 -0.015 0.000 0.298 290 F C 2.208 177.836 175.800 -0.286 0.000 1.096 290 F CA 0.906 58.790 58.000 -0.193 0.000 1.275 290 F CB -0.384 38.604 39.000 -0.021 0.000 1.008 290 F HN -0.043 nan 8.300 nan 0.000 0.480 291 K N 0.077 120.375 120.400 -0.171 0.000 2.074 291 K HA -0.204 4.107 4.320 -0.015 0.000 0.209 291 K C 1.628 178.125 176.600 -0.172 0.000 1.048 291 K CA 1.778 57.928 56.287 -0.228 0.000 0.926 291 K CB -0.343 31.942 32.500 -0.358 0.000 0.713 291 K HN 0.241 nan 8.250 nan 0.000 0.444 292 D N 0.631 120.929 120.400 -0.169 0.000 2.178 292 D HA -0.101 4.530 4.640 -0.015 0.000 0.202 292 D C 1.924 178.134 176.300 -0.151 0.000 0.974 292 D CA 0.878 54.800 54.000 -0.130 0.000 0.841 292 D CB -0.086 40.649 40.800 -0.109 0.000 0.953 292 D HN 0.235 nan 8.370 nan 0.000 0.478 293 I N 1.432 121.834 120.570 -0.279 0.000 2.202 293 I HA -0.231 3.930 4.170 -0.015 0.000 0.242 293 I C 2.584 178.509 176.117 -0.320 0.000 1.091 293 I CA 0.809 61.796 61.300 -0.522 0.000 1.368 293 I CB -0.185 37.207 38.000 -1.014 0.000 1.058 293 I HN -0.089 nan 8.210 nan 0.000 0.410 294 A N 0.629 123.319 122.820 -0.217 0.000 1.892 294 A HA -0.282 4.029 4.320 -0.015 0.000 0.218 294 A C 2.457 180.060 177.584 0.032 0.000 1.188 294 A CA 2.528 54.548 52.037 -0.027 0.000 0.631 294 A CB -0.924 18.076 19.000 -0.001 0.000 0.822 294 A HN 0.525 nan 8.150 nan 0.000 0.447 295 S N -1.857 113.828 115.700 -0.025 0.000 2.489 295 S HA -0.048 4.413 4.470 -0.015 0.000 0.228 295 S C 1.696 176.301 174.600 0.008 0.000 0.995 295 S CA 1.586 59.782 58.200 -0.008 0.000 0.934 295 S CB -0.625 62.557 63.200 -0.030 0.000 0.771 295 S HN 0.470 nan 8.310 nan 0.000 0.522 296 T N 2.717 117.274 114.554 0.005 0.000 2.770 296 T HA 0.149 4.490 4.350 -0.015 0.000 0.258 296 T C 1.569 176.331 174.700 0.104 0.000 1.039 296 T CA 0.949 63.085 62.100 0.060 0.000 1.143 296 T CB -0.413 68.508 68.868 0.089 0.000 0.866 296 T HN 0.202 nan 8.240 nan 0.000 0.428 297 L N 2.391 123.699 121.223 0.141 0.000 2.051 297 L HA -0.134 4.197 4.340 -0.015 0.000 0.214 297 L C 2.193 179.119 176.870 0.095 0.000 1.076 297 L CA 1.655 56.613 54.840 0.197 0.000 0.758 297 L CB -1.225 41.056 42.059 0.370 0.000 0.890 297 L HN 0.230 nan 8.230 nan 0.000 0.433 298 N N -0.287 118.446 118.700 0.054 0.000 2.166 298 N HA -0.157 4.574 4.740 -0.015 0.000 0.186 298 N C 1.706 177.203 175.510 -0.022 0.000 1.019 298 N CA 1.054 54.087 53.050 -0.029 0.000 0.856 298 N CB -0.118 38.356 38.487 -0.021 0.000 0.993 298 N HN 0.431 nan 8.380 nan 0.000 0.426 299 K N 0.573 120.978 120.400 0.008 0.000 2.296 299 K HA 0.152 4.463 4.320 -0.015 0.000 0.200 299 K C 0.553 177.162 176.600 0.015 0.000 1.048 299 K CA 0.113 56.406 56.287 0.010 0.000 0.966 299 K CB 0.125 32.637 32.500 0.021 0.000 0.754 299 K HN 0.067 nan 8.250 nan 0.000 0.466 300 A N 2.139 124.974 122.820 0.026 0.000 2.522 300 A HA -0.019 4.292 4.320 -0.015 0.000 0.256 300 A C 0.545 178.137 177.584 0.012 0.000 1.086 300 A CA 0.372 52.427 52.037 0.031 0.000 0.763 300 A CB 0.167 19.197 19.000 0.050 0.000 1.024 300 A HN 0.198 nan 8.150 nan 0.000 0.502 301 K N 1.205 121.615 120.400 0.015 0.000 2.391 301 K HA 0.110 4.421 4.320 -0.015 0.000 0.197 301 K C 0.538 177.148 176.600 0.018 0.000 1.087 301 K CA 0.849 57.141 56.287 0.009 0.000 1.012 301 K CB 0.460 32.963 32.500 0.006 0.000 0.925 301 K HN 0.823 nan 8.250 nan 0.000 0.547 302 S N 0.179 115.896 115.700 0.029 0.000 2.740 302 S HA 0.709 5.170 4.470 -0.015 0.000 0.300 302 S C -0.897 173.737 174.600 0.055 0.000 1.147 302 S CA -0.843 57.380 58.200 0.038 0.000 0.871 302 S CB 2.054 65.276 63.200 0.038 0.000 1.173 302 S HN 0.155 nan 8.310 nan 0.000 0.510 303 I N 1.020 121.632 120.570 0.071 0.000 2.690 303 I HA 0.533 4.694 4.170 -0.015 0.000 0.286 303 I C -1.604 174.595 176.117 0.137 0.000 1.313 303 I CA -0.690 60.677 61.300 0.112 0.000 1.070 303 I CB 1.504 39.551 38.000 0.077 0.000 1.323 303 I HN 0.908 nan 8.210 nan 0.000 0.432 304 V N 3.762 123.785 119.914 0.182 0.000 2.815 304 V HA 1.028 5.138 4.120 -0.015 0.000 0.314 304 V C 0.639 176.844 176.094 0.184 0.000 1.064 304 V CA 0.377 62.763 62.300 0.144 0.000 0.952 304 V CB 1.343 33.216 31.823 0.084 0.000 1.020 304 V HN 1.502 nan 8.190 nan 0.000 0.439 305 G N 0.866 109.739 108.800 0.122 0.000 2.132 305 G HA2 0.003 3.954 3.960 -0.015 0.000 0.228 305 G HA3 0.003 3.954 3.960 -0.015 0.000 0.228 305 G C 0.227 175.219 174.900 0.153 0.000 1.000 305 G CA 0.780 45.935 45.100 0.093 0.000 0.693 305 G HN 1.976 nan 8.290 nan 0.000 0.515 306 T N -2.361 112.295 114.554 0.170 0.000 2.733 306 T HA 0.592 4.933 4.350 -0.015 0.000 0.312 306 T C 1.159 175.916 174.700 0.096 0.000 1.590 306 T CA 1.099 63.298 62.100 0.165 0.000 1.005 306 T CB 0.759 69.799 68.868 0.286 0.000 1.528 306 T HN 1.033 nan 8.240 nan 0.000 0.496 307 T N -0.121 114.468 114.554 0.058 0.000 3.040 307 T HA 0.594 4.935 4.350 -0.015 0.000 0.250 307 T C 0.960 175.657 174.700 -0.005 0.000 1.058 307 T CA 0.416 62.528 62.100 0.019 0.000 0.988 307 T CB -0.072 68.795 68.868 -0.001 0.000 0.993 307 T HN 0.895 nan 8.240 nan 0.000 0.519 308 A N 2.297 125.114 122.820 -0.004 0.000 2.386 308 A HA 0.594 4.905 4.320 -0.015 0.000 0.248 308 A C 0.780 178.373 177.584 0.014 0.000 1.082 308 A CA -0.474 51.538 52.037 -0.043 0.000 0.789 308 A CB 0.114 19.101 19.000 -0.022 0.000 1.025 308 A HN 0.642 nan 8.150 nan 0.000 0.490 309 S N 1.615 117.336 115.700 0.035 0.000 2.585 309 S HA 0.252 4.713 4.470 -0.015 0.000 0.273 309 S C 1.188 175.829 174.600 0.069 0.000 1.339 309 S CA -0.435 57.800 58.200 0.059 0.000 1.028 309 S CB 0.682 63.921 63.200 0.065 0.000 0.906 309 S HN 0.729 nan 8.310 nan 0.000 0.528 310 L N 0.883 122.130 121.223 0.040 0.000 1.990 310 L HA -0.212 4.119 4.340 -0.015 0.000 0.213 310 L C 2.992 179.883 176.870 0.035 0.000 1.072 310 L CA 2.029 56.885 54.840 0.025 0.000 0.755 310 L CB -0.485 41.589 42.059 0.026 0.000 0.889 310 L HN 0.932 nan 8.230 nan 0.000 0.432 311 Q N -0.508 119.322 119.800 0.050 0.000 2.077 311 Q HA -0.322 4.009 4.340 -0.015 0.000 0.206 311 Q C 2.148 178.184 176.000 0.061 0.000 0.989 311 Q CA 2.524 58.364 55.803 0.061 0.000 0.853 311 Q CB -0.736 28.037 28.738 0.059 0.000 0.907 311 Q HN 0.654 nan 8.270 nan 0.000 0.418 312 Y N 0.410 120.692 120.300 -0.029 0.000 2.151 312 Y HA -0.274 4.267 4.550 -0.014 0.000 0.284 312 Y C 2.256 178.086 175.900 -0.116 0.000 1.166 312 Y CA 2.333 60.396 58.100 -0.062 0.000 1.163 312 Y CB -0.322 38.090 38.460 -0.079 0.000 0.974 312 Y HN 0.200 nan 8.280 nan 0.000 0.511 313 M N 0.529 119.979 119.600 -0.250 0.000 2.193 313 M HA -0.057 4.414 4.480 -0.015 0.000 0.265 313 M C 2.002 178.160 176.300 -0.238 0.000 1.071 313 M CA 1.626 56.670 55.300 -0.427 0.000 1.140 313 M CB -0.434 31.950 32.600 -0.360 0.000 1.369 313 M HN 0.112 nan 8.290 nan 0.000 0.423 314 K N -0.296 120.109 120.400 0.007 0.000 2.074 314 K HA -0.199 4.111 4.320 -0.015 0.000 0.209 314 K C 1.965 178.651 176.600 0.142 0.000 1.048 314 K CA 1.555 57.986 56.287 0.240 0.000 0.926 314 K CB -0.475 32.205 32.500 0.301 0.000 0.713 314 K HN 0.448 nan 8.250 nan 0.000 0.444 315 N N 0.770 119.448 118.700 -0.036 0.000 2.396 315 N HA -0.108 4.623 4.740 -0.015 0.000 0.180 315 N C 1.585 176.929 175.510 -0.277 0.000 1.028 315 N CA 0.684 53.669 53.050 -0.109 0.000 0.893 315 N CB 0.249 38.672 38.487 -0.106 0.000 0.967 315 N HN -0.035 nan 8.380 nan 0.000 0.440 316 V N 0.445 120.055 119.914 -0.506 0.000 2.358 316 V HA -0.154 3.956 4.120 -0.015 0.000 0.246 316 V C 1.737 177.568 176.094 -0.438 0.000 1.047 316 V CA 1.390 63.338 62.300 -0.586 0.000 1.035 316 V CB -0.628 30.672 31.823 -0.872 0.000 0.658 316 V HN 0.207 nan 8.190 nan 0.000 0.452 317 F N 0.372 120.246 119.950 -0.127 0.000 2.259 317 F HA -0.093 4.424 4.527 -0.017 0.000 0.298 317 F C 2.401 178.188 175.800 -0.023 0.000 1.088 317 F CA 1.592 59.605 58.000 0.021 0.000 1.358 317 F CB -0.250 38.871 39.000 0.201 0.000 1.040 317 F HN 0.053 nan 8.300 nan 0.000 0.505 318 K N 1.161 121.514 120.400 -0.078 0.000 2.044 318 K HA -0.240 4.071 4.320 -0.015 0.000 0.210 318 K C 1.720 178.253 176.600 -0.111 0.000 1.049 318 K CA 2.069 58.188 56.287 -0.279 0.000 0.927 318 K CB -0.238 32.014 32.500 -0.413 0.000 0.713 318 K HN 0.300 nan 8.250 nan 0.000 0.443 319 E N 0.335 120.473 120.200 -0.104 0.000 2.150 319 E HA -0.176 4.164 4.350 -0.015 0.000 0.193 319 E C 2.067 178.639 176.600 -0.047 0.000 0.985 319 E CA 0.901 57.255 56.400 -0.077 0.000 0.814 319 E CB 0.044 29.688 29.700 -0.094 0.000 0.752 319 E HN 0.346 nan 8.360 nan 0.000 0.466 320 K N 0.504 120.854 120.400 -0.083 0.000 2.025 320 K HA -0.146 4.164 4.320 -0.015 0.000 0.207 320 K C 1.249 177.789 176.600 -0.100 0.000 1.049 320 K CA 1.290 57.486 56.287 -0.151 0.000 0.933 320 K CB -0.025 32.227 32.500 -0.413 0.000 0.714 320 K HN 0.144 nan 8.250 nan 0.000 0.438 321 Y N 0.660 121.009 120.300 0.082 0.000 2.457 321 Y HA 0.268 4.807 4.550 -0.017 0.000 0.263 321 Y C -0.020 175.988 175.900 0.182 0.000 1.164 321 Y CA -0.211 57.943 58.100 0.090 0.000 1.274 321 Y CB 0.310 38.639 38.460 -0.218 0.000 1.097 321 Y HN -0.011 nan 8.280 nan 0.000 0.523 322 L N 0.691 122.024 121.223 0.184 0.000 3.677 322 L HA -0.283 4.048 4.340 -0.015 0.000 0.464 322 L C -0.650 176.291 176.870 0.117 0.000 1.278 322 L CA 0.054 54.965 54.840 0.119 0.000 0.806 322 L CB -1.897 40.245 42.059 0.137 0.000 1.610 322 L HN 0.230 nan 8.230 nan 0.000 0.867 323 L N -0.544 120.692 121.223 0.021 0.000 2.436 323 L HA 0.280 4.611 4.340 -0.015 0.000 0.265 323 L C 1.084 177.947 176.870 -0.012 0.000 1.168 323 L CA 0.090 54.911 54.840 -0.031 0.000 0.815 323 L CB 1.163 43.053 42.059 -0.282 0.000 1.109 323 L HN 0.148 nan 8.230 nan 0.000 0.462 324 S N 1.160 116.902 115.700 0.071 0.000 2.475 324 S HA 0.196 4.657 4.470 -0.015 0.000 0.281 324 S C -0.253 174.476 174.600 0.215 0.000 1.198 324 S CA -0.523 57.743 58.200 0.110 0.000 1.063 324 S CB 0.988 64.253 63.200 0.109 0.000 0.972 324 S HN 0.496 nan 8.310 nan 0.000 0.486 325 E N 2.179 122.525 120.200 0.242 0.000 2.204 325 E HA 0.326 4.667 4.350 -0.015 0.000 0.276 325 E C -0.934 175.770 176.600 0.173 0.000 0.974 325 E CA -0.775 55.839 56.400 0.358 0.000 0.815 325 E CB 0.844 30.798 29.700 0.425 0.000 1.119 325 E HN 0.689 nan 8.360 nan 0.000 0.393 326 D N 0.967 121.436 120.400 0.116 0.000 2.569 326 D HA 0.109 4.740 4.640 -0.015 0.000 0.266 326 D C 1.092 177.412 176.300 0.034 0.000 1.164 326 D CA -0.133 53.904 54.000 0.061 0.000 1.071 326 D CB 0.430 41.255 40.800 0.042 0.000 1.183 326 D HN 0.445 nan 8.370 nan 0.000 0.613 327 T N -2.273 112.294 114.554 0.022 0.000 2.699 327 T HA -0.241 4.100 4.350 -0.015 0.000 0.268 327 T C 1.728 176.424 174.700 -0.007 0.000 1.036 327 T CA 1.815 63.922 62.100 0.011 0.000 1.147 327 T CB -0.988 67.885 68.868 0.010 0.000 0.862 327 T HN 0.495 nan 8.240 nan 0.000 0.446 328 S N 0.644 116.333 115.700 -0.018 0.000 2.607 328 S HA 0.411 4.872 4.470 -0.015 0.000 0.224 328 S C 1.968 176.522 174.600 -0.076 0.000 0.969 328 S CA 0.421 58.599 58.200 -0.037 0.000 0.927 328 S CB -0.638 62.542 63.200 -0.033 0.000 0.772 328 S HN 1.253 nan 8.310 nan 0.000 0.533 329 G N 1.172 109.915 108.800 -0.096 0.000 2.199 329 G HA2 -0.314 3.637 3.960 -0.015 0.000 0.254 329 G HA3 -0.314 3.637 3.960 -0.015 0.000 0.254 329 G C 0.037 174.693 174.900 -0.406 0.000 0.982 329 G CA 0.270 45.248 45.100 -0.204 0.000 0.632 329 G HN 0.748 nan 8.290 nan 0.000 0.529 330 K N 0.119 120.371 120.400 -0.246 0.000 2.355 330 K HA 0.511 4.822 4.320 -0.015 0.000 0.270 330 K C -0.430 176.087 176.600 -0.138 0.000 1.003 330 K CA -0.232 55.919 56.287 -0.228 0.000 0.957 330 K CB 0.061 32.512 32.500 -0.082 0.000 0.939 330 K HN -0.027 nan 8.250 nan 0.000 0.482 331 F N 0.600 120.559 119.950 0.015 0.000 2.523 331 F HA 0.438 4.956 4.527 -0.014 0.000 0.329 331 F C 0.166 175.974 175.800 0.014 0.000 1.061 331 F CA -0.749 57.264 58.000 0.021 0.000 0.967 331 F CB 1.957 40.970 39.000 0.022 0.000 1.218 331 F HN 0.656 nan 8.300 nan 0.000 0.480 332 S N -0.400 115.447 115.700 0.246 0.000 2.567 332 S HA 0.721 5.182 4.470 -0.015 0.000 0.270 332 S C -1.810 172.865 174.600 0.126 0.000 1.152 332 S CA -0.957 57.324 58.200 0.135 0.000 0.835 332 S CB 1.262 64.526 63.200 0.107 0.000 1.115 332 S HN 0.331 nan 8.310 nan 0.000 0.459 333 V N 2.273 122.255 119.914 0.113 0.000 2.383 333 V HA 0.424 4.535 4.120 -0.015 0.000 0.275 333 V C -0.158 176.080 176.094 0.241 0.000 1.036 333 V CA -0.464 61.953 62.300 0.194 0.000 0.889 333 V CB 1.215 33.144 31.823 0.177 0.000 0.985 333 V HN 0.970 nan 8.190 nan 0.000 0.459 334 D N 4.053 124.593 120.400 0.233 0.000 2.339 334 D HA 0.122 4.753 4.640 -0.015 0.000 0.241 334 D C 1.023 177.438 176.300 0.192 0.000 1.183 334 D CA -0.410 53.700 54.000 0.185 0.000 0.859 334 D CB 1.546 42.424 40.800 0.130 0.000 1.067 334 D HN 0.520 nan 8.370 nan 0.000 0.484 335 K N 3.421 123.881 120.400 0.099 0.000 2.107 335 K HA -0.213 4.098 4.320 -0.015 0.000 0.211 335 K C 1.622 178.227 176.600 0.007 0.000 1.049 335 K CA 1.436 57.649 56.287 -0.123 0.000 0.927 335 K CB -0.138 32.217 32.500 -0.241 0.000 0.714 335 K HN 0.366 nan 8.250 nan 0.000 0.452 336 L N 0.682 121.929 121.223 0.039 0.000 2.044 336 L HA -0.019 4.312 4.340 -0.015 0.000 0.205 336 L C 2.167 179.077 176.870 0.066 0.000 1.075 336 L CA 1.750 56.614 54.840 0.040 0.000 0.747 336 L CB -0.683 41.390 42.059 0.023 0.000 0.903 336 L HN 0.130 nan 8.230 nan 0.000 0.435 337 K N -1.512 118.945 120.400 0.096 0.000 2.148 337 K HA -0.175 4.136 4.320 -0.015 0.000 0.204 337 K C 2.090 178.779 176.600 0.148 0.000 1.050 337 K CA 1.133 57.477 56.287 0.096 0.000 0.942 337 K CB -0.199 32.365 32.500 0.106 0.000 0.724 337 K HN 0.119 nan 8.250 nan 0.000 0.446 338 F N 2.181 122.175 119.950 0.072 0.000 2.060 338 F HA -0.219 4.297 4.527 -0.019 0.000 0.295 338 F C 1.759 177.580 175.800 0.035 0.000 1.120 338 F CA 1.545 59.591 58.000 0.076 0.000 1.205 338 F CB -0.219 38.827 39.000 0.077 0.000 0.986 338 F HN 0.010 nan 8.300 nan 0.000 0.470 339 D N 0.788 121.260 120.400 0.120 0.000 2.157 339 D HA -0.237 4.393 4.640 -0.015 0.000 0.191 339 D C 2.189 178.479 176.300 -0.017 0.000 1.004 339 D CA 1.683 55.699 54.000 0.027 0.000 0.854 339 D CB -0.293 40.543 40.800 0.060 0.000 0.936 339 D HN 0.397 nan 8.370 nan 0.000 0.446 340 K N -0.095 120.312 120.400 0.012 0.000 2.025 340 K HA -0.124 4.187 4.320 -0.015 0.000 0.207 340 K C 2.169 178.786 176.600 0.029 0.000 1.049 340 K CA 0.306 56.640 56.287 0.078 0.000 0.933 340 K CB -0.394 32.131 32.500 0.042 0.000 0.714 340 K HN 0.073 nan 8.250 nan 0.000 0.438 341 L N 0.776 121.953 121.223 -0.077 0.000 2.012 341 L HA -0.239 4.092 4.340 -0.015 0.000 0.210 341 L C 2.261 178.984 176.870 -0.245 0.000 1.073 341 L CA 1.759 56.513 54.840 -0.143 0.000 0.748 341 L CB -0.855 41.148 42.059 -0.095 0.000 0.891 341 L HN 0.172 nan 8.230 nan 0.000 0.431 342 Y N 0.295 120.279 120.300 -0.528 0.000 2.145 342 Y HA -0.269 4.269 4.550 -0.020 0.000 0.286 342 Y C 2.736 178.448 175.900 -0.312 0.000 1.145 342 Y CA 2.370 60.160 58.100 -0.516 0.000 1.148 342 Y CB -0.222 37.772 38.460 -0.777 0.000 0.981 342 Y HN 0.267 nan 8.280 nan 0.000 0.507 343 K N 0.142 120.472 120.400 -0.117 0.000 2.020 343 K HA -0.324 3.987 4.320 -0.015 0.000 0.212 343 K C 2.360 178.749 176.600 -0.352 0.000 1.050 343 K CA 2.239 58.425 56.287 -0.167 0.000 0.929 343 K CB -0.440 32.024 32.500 -0.061 0.000 0.714 343 K HN 0.471 nan 8.250 nan 0.000 0.443 344 M N 0.794 120.159 119.600 -0.392 0.000 2.073 344 M HA -0.225 4.246 4.480 -0.015 0.000 0.258 344 M C 1.952 177.793 176.300 -0.765 0.000 1.070 344 M CA 1.691 56.623 55.300 -0.614 0.000 1.103 344 M CB -0.099 32.219 32.600 -0.470 0.000 1.321 344 M HN 0.225 nan 8.290 nan 0.000 0.405 345 L N -0.742 120.148 121.223 -0.556 0.000 2.093 345 L HA -0.171 4.160 4.340 -0.015 0.000 0.208 345 L C 2.478 179.233 176.870 -0.192 0.000 1.085 345 L CA 1.824 56.458 54.840 -0.344 0.000 0.755 345 L CB -0.798 41.113 42.059 -0.246 0.000 0.904 345 L HN 0.556 nan 8.230 nan 0.000 0.435 346 T N -5.430 108.878 114.554 -0.410 0.000 3.023 346 T HA 0.052 4.393 4.350 -0.015 0.000 0.249 346 T C 1.540 176.105 174.700 -0.226 0.000 1.050 346 T CA 0.139 62.006 62.100 -0.389 0.000 1.088 346 T CB 0.301 68.725 68.868 -0.740 0.000 0.946 346 T HN 0.237 nan 8.240 nan 0.000 0.480 347 E N -0.131 119.921 120.200 -0.246 0.000 2.399 347 E HA 0.393 4.734 4.350 -0.015 0.000 0.205 347 E C 1.663 178.147 176.600 -0.192 0.000 0.906 347 E CA -0.038 56.260 56.400 -0.171 0.000 0.998 347 E CB 0.488 30.104 29.700 -0.140 0.000 1.002 347 E HN 0.425 nan 8.360 nan 0.000 0.501 348 I N 0.291 120.686 120.570 -0.291 0.000 2.512 348 I HA -0.062 4.099 4.170 -0.015 0.000 0.247 348 I C 0.146 176.169 176.117 -0.156 0.000 1.094 348 I CA 0.225 61.346 61.300 -0.298 0.000 1.427 348 I CB 0.245 37.950 38.000 -0.491 0.000 1.149 348 I HN 0.009 nan 8.210 nan 0.000 0.438 349 Y N 3.517 123.697 120.300 -0.200 0.000 2.683 349 Y HA 0.174 4.718 4.550 -0.010 0.000 0.355 349 Y C 0.720 176.554 175.900 -0.110 0.000 1.199 349 Y CA -0.666 57.339 58.100 -0.159 0.000 1.654 349 Y CB -1.299 37.103 38.460 -0.097 0.000 1.361 349 Y HN 0.118 nan 8.280 nan 0.000 0.493 350 T N -2.057 112.513 114.554 0.027 0.000 2.889 350 T HA 0.270 4.611 4.350 -0.015 0.000 0.315 350 T C 0.700 175.401 174.700 0.000 0.000 1.291 350 T CA -0.940 61.146 62.100 -0.023 0.000 1.028 350 T CB 2.023 70.848 68.868 -0.071 0.000 1.235 350 T HN 0.458 nan 8.240 nan 0.000 0.491 351 E N 0.529 120.663 120.200 -0.111 0.000 2.077 351 E HA -0.195 4.145 4.350 -0.015 0.000 0.193 351 E C 1.290 177.753 176.600 -0.229 0.000 0.989 351 E CA 1.699 58.014 56.400 -0.142 0.000 0.800 351 E CB -0.125 29.366 29.700 -0.347 0.000 0.746 351 E HN 0.785 nan 8.360 nan 0.000 0.452 352 D N 0.061 120.229 120.400 -0.387 0.000 2.144 352 D HA -0.158 4.473 4.640 -0.015 0.000 0.199 352 D C 1.698 177.920 176.300 -0.131 0.000 0.984 352 D CA 1.143 54.980 54.000 -0.272 0.000 0.834 352 D CB -0.074 40.617 40.800 -0.182 0.000 0.955 352 D HN 0.125 nan 8.370 nan 0.000 0.465 353 N N -0.693 117.934 118.700 -0.123 0.000 2.216 353 N HA -0.107 4.624 4.740 -0.015 0.000 0.183 353 N C 1.654 177.099 175.510 -0.108 0.000 1.017 353 N CA 0.515 53.494 53.050 -0.119 0.000 0.861 353 N CB -0.417 37.972 38.487 -0.164 0.000 0.986 353 N HN 0.294 nan 8.380 nan 0.000 0.428 354 F N 1.014 120.909 119.950 -0.092 0.000 2.134 354 F HA -0.136 4.384 4.527 -0.011 0.000 0.299 354 F C 2.338 178.044 175.800 -0.157 0.000 1.097 354 F CA 0.614 58.496 58.000 -0.197 0.000 1.264 354 F CB -0.284 38.625 39.000 -0.151 0.000 1.001 354 F HN -0.177 nan 8.300 nan 0.000 0.479 355 V N 0.272 120.262 119.914 0.126 0.000 2.392 355 V HA -0.338 3.773 4.120 -0.015 0.000 0.249 355 V C 2.139 178.257 176.094 0.040 0.000 1.059 355 V CA 1.848 64.216 62.300 0.114 0.000 1.051 355 V CB -0.640 31.183 31.823 -0.001 0.000 0.658 355 V HN 0.323 nan 8.190 nan 0.000 0.455 356 K N -0.931 119.440 120.400 -0.050 0.000 2.147 356 K HA -0.124 4.186 4.320 -0.015 0.000 0.205 356 K C 2.057 178.517 176.600 -0.232 0.000 1.049 356 K CA 1.543 57.735 56.287 -0.157 0.000 0.936 356 K CB -0.268 32.072 32.500 -0.266 0.000 0.722 356 K HN 0.422 nan 8.250 nan 0.000 0.446 357 F N -0.204 119.611 119.950 -0.224 0.000 2.270 357 F HA 0.013 4.529 4.527 -0.019 0.000 0.295 357 F C 1.806 177.504 175.800 -0.170 0.000 1.087 357 F CA 0.947 58.781 58.000 -0.277 0.000 1.365 357 F CB -0.100 38.622 39.000 -0.463 0.000 1.056 357 F HN -0.094 nan 8.300 nan 0.000 0.506 358 F N 0.168 120.247 119.950 0.215 0.000 2.456 358 F HA -0.011 4.509 4.527 -0.012 0.000 0.298 358 F C 0.872 176.738 175.800 0.110 0.000 1.104 358 F CA 0.416 58.501 58.000 0.141 0.000 1.435 358 F CB -0.353 38.719 39.000 0.120 0.000 1.078 358 F HN -0.227 nan 8.300 nan 0.000 0.546 359 K N 0.585 121.135 120.400 0.251 0.000 3.162 359 K HA -0.145 4.166 4.320 -0.015 0.000 0.268 359 K C -0.666 176.126 176.600 0.320 0.000 1.062 359 K CA 0.370 56.798 56.287 0.235 0.000 0.769 359 K CB -2.372 30.245 32.500 0.196 0.000 1.274 359 K HN 0.270 nan 8.250 nan 0.000 0.478 360 V N -2.483 117.542 119.914 0.184 0.000 2.994 360 V HA 0.658 4.769 4.120 -0.015 0.000 0.318 360 V C 0.272 176.128 176.094 -0.396 0.000 1.085 360 V CA -1.446 60.870 62.300 0.026 0.000 0.998 360 V CB 1.910 33.811 31.823 0.130 0.000 1.063 360 V HN 0.174 nan 8.190 nan 0.000 0.447 361 L N 3.014 123.820 121.223 -0.696 0.000 2.349 361 L HA 0.623 4.954 4.340 -0.015 0.000 0.275 361 L C -0.290 176.491 176.870 -0.149 0.000 1.115 361 L CA 0.718 55.146 54.840 -0.687 0.000 0.820 361 L CB 0.574 42.139 42.059 -0.823 0.000 1.135 361 L HN 1.054 nan 8.230 nan 0.000 0.445 362 N N 1.783 120.377 118.700 -0.177 0.000 2.405 362 N HA 0.379 5.110 4.740 -0.015 0.000 0.274 362 N C -1.311 173.936 175.510 -0.439 0.000 1.170 362 N CA -0.866 52.000 53.050 -0.306 0.000 0.848 362 N CB 1.586 39.968 38.487 -0.176 0.000 1.629 362 N HN 0.623 nan 8.380 nan 0.000 0.481 363 R N 1.210 121.194 120.500 -0.861 0.000 2.705 363 R HA -0.051 4.280 4.340 -0.015 0.000 0.264 363 R C -0.241 176.014 176.300 -0.076 0.000 0.988 363 R CA 0.481 56.287 56.100 -0.490 0.000 1.103 363 R CB 0.446 30.449 30.300 -0.494 0.000 0.950 363 R HN 0.522 nan 8.270 nan 0.000 0.427 364 K N 0.280 120.661 120.400 -0.032 0.000 2.374 364 K HA 0.120 4.430 4.320 -0.015 0.000 0.202 364 K C -1.004 175.650 176.600 0.089 0.000 1.040 364 K CA 0.467 56.802 56.287 0.080 0.000 1.085 364 K CB 0.774 33.240 32.500 -0.056 0.000 0.873 364 K HN 0.783 nan 8.250 nan 0.000 0.539 365 T N -1.422 112.973 114.554 -0.265 0.000 3.610 365 T HA 0.011 4.351 4.350 -0.015 0.000 0.419 365 T C 0.102 174.291 174.700 -0.851 0.000 1.582 365 T CA -0.567 61.102 62.100 -0.719 0.000 1.146 365 T CB -0.382 68.297 68.868 -0.314 0.000 1.460 365 T HN 0.180 nan 8.240 nan 0.000 0.465 366 Y N 4.760 124.403 120.300 -1.095 0.000 2.298 366 Y HA 0.080 4.621 4.550 -0.016 0.000 0.287 366 Y C 1.573 177.087 175.900 -0.643 0.000 1.164 366 Y CA 1.351 59.035 58.100 -0.693 0.000 1.229 366 Y CB -0.446 37.699 38.460 -0.525 0.000 0.977 366 Y HN 0.599 nan 8.280 nan 0.000 0.538 367 L N 0.940 121.155 121.223 -1.680 0.000 2.456 367 L HA -0.128 4.203 4.340 -0.015 0.000 0.224 367 L C 0.605 176.596 176.870 -1.464 0.000 1.148 367 L CA 0.665 54.479 54.840 -1.710 0.000 0.825 367 L CB -0.558 40.802 42.059 -1.164 0.000 0.937 367 L HN 0.238 nan 8.230 nan 0.000 0.450 368 N N 0.459 118.601 118.700 -0.931 0.000 2.663 368 N HA 0.089 4.820 4.740 -0.015 0.000 0.250 368 N C -0.515 174.704 175.510 -0.485 0.000 1.129 368 N CA -0.173 52.528 53.050 -0.581 0.000 0.995 368 N CB -0.136 38.165 38.487 -0.311 0.000 1.324 368 N HN -0.086 nan 8.380 nan 0.000 0.512 369 F N 0.762 120.638 119.950 -0.124 0.000 2.496 369 F HA 0.090 4.608 4.527 -0.015 0.000 0.344 369 F C 1.333 177.097 175.800 -0.060 0.000 1.155 369 F CA -0.465 57.457 58.000 -0.130 0.000 1.302 369 F CB 0.476 39.406 39.000 -0.118 0.000 1.159 369 F HN 0.264 nan 8.300 nan 0.000 0.595 370 D N 1.785 122.251 120.400 0.110 0.000 2.400 370 D HA 0.061 4.692 4.640 -0.015 0.000 0.238 370 D C 0.645 177.013 176.300 0.114 0.000 1.157 370 D CA 0.249 54.316 54.000 0.111 0.000 0.889 370 D CB 0.825 41.650 40.800 0.042 0.000 1.199 370 D HN 0.471 nan 8.370 nan 0.000 0.436 371 K N -0.652 119.829 120.400 0.136 0.000 2.567 371 K HA 0.406 4.717 4.320 -0.015 0.000 0.218 371 K C -0.171 176.443 176.600 0.024 0.000 1.440 371 K CA -0.106 56.230 56.287 0.082 0.000 0.995 371 K CB 1.649 34.209 32.500 0.101 0.000 1.186 371 K HN 0.420 nan 8.250 nan 0.000 0.593 372 A N 0.616 123.450 122.820 0.024 0.000 2.599 372 A HA 0.649 4.960 4.320 -0.015 0.000 0.290 372 A C -1.696 175.782 177.584 -0.177 0.000 1.101 372 A CA -0.567 51.371 52.037 -0.164 0.000 0.674 372 A CB 1.821 20.631 19.000 -0.316 0.000 1.277 372 A HN -0.108 nan 8.150 nan 0.000 0.419 373 V N 0.175 119.822 119.914 -0.445 0.000 2.789 373 V HA 0.900 5.010 4.120 -0.015 0.000 0.311 373 V C -1.957 173.760 176.094 -0.629 0.000 1.073 373 V CA -0.802 61.275 62.300 -0.371 0.000 0.921 373 V CB 1.616 33.263 31.823 -0.292 0.000 1.009 373 V HN 0.822 nan 8.190 nan 0.000 0.426 374 F N 4.056 123.965 119.950 -0.069 0.000 2.556 374 F HA 0.602 5.120 4.527 -0.015 0.000 0.314 374 F C -0.066 175.682 175.800 -0.087 0.000 1.106 374 F CA -0.816 57.161 58.000 -0.038 0.000 0.911 374 F CB 2.166 41.214 39.000 0.080 0.000 1.190 374 F HN 0.431 nan 8.300 nan 0.000 0.448 375 K N 4.370 124.769 120.400 -0.001 0.000 2.249 375 K HA 0.652 4.963 4.320 -0.015 0.000 0.280 375 K C -0.805 175.696 176.600 -0.164 0.000 1.033 375 K CA -0.117 55.990 56.287 -0.298 0.000 0.946 375 K CB 0.460 32.770 32.500 -0.316 0.000 1.005 375 K HN 0.638 nan 8.250 nan 0.000 0.469 376 I N -0.595 119.818 120.570 -0.261 0.000 3.343 376 I HA 0.644 4.805 4.170 -0.015 0.000 0.315 376 I C -1.203 174.779 176.117 -0.225 0.000 1.153 376 I CA -1.243 59.935 61.300 -0.204 0.000 0.952 376 I CB 2.343 40.309 38.000 -0.055 0.000 1.287 376 I HN 0.558 nan 8.210 nan 0.000 0.472 377 N N 1.445 120.037 118.700 -0.181 0.000 2.793 377 N HA 0.324 5.055 4.740 -0.015 0.000 0.251 377 N C -0.315 175.100 175.510 -0.158 0.000 1.308 377 N CA -0.668 52.283 53.050 -0.165 0.000 0.781 377 N CB 0.994 39.404 38.487 -0.129 0.000 1.439 377 N HN 0.838 nan 8.380 nan 0.000 0.562 378 I N -0.131 120.284 120.570 -0.258 0.000 3.684 378 I HA 0.131 4.292 4.170 -0.015 0.000 0.304 378 I C 0.365 176.372 176.117 -0.183 0.000 1.278 378 I CA 0.049 61.124 61.300 -0.375 0.000 1.272 378 I CB 0.104 37.540 38.000 -0.940 0.000 1.029 378 I HN 0.107 nan 8.210 nan 0.000 0.458 379 V N 2.025 121.863 119.914 -0.125 0.000 2.307 379 V HA -0.016 4.095 4.120 -0.015 0.000 0.245 379 V C -1.200 174.876 176.094 -0.030 0.000 1.045 379 V CA 1.264 63.523 62.300 -0.069 0.000 1.024 379 V CB -1.783 30.007 31.823 -0.055 0.000 0.651 379 V HN 0.404 nan 8.190 nan 0.000 0.449 380 P HA 0.093 nan 4.420 nan 0.000 0.268 380 P C 0.348 177.655 177.300 0.011 0.000 1.205 380 P CA 0.325 63.420 63.100 -0.007 0.000 0.771 380 P CB 0.372 32.066 31.700 -0.011 0.000 0.858 381 K N 1.671 122.076 120.400 0.009 0.000 2.288 381 K HA -0.051 4.260 4.320 -0.015 0.000 0.201 381 K C 1.522 178.134 176.600 0.020 0.000 1.048 381 K CA 1.095 57.390 56.287 0.013 0.000 0.956 381 K CB -0.393 32.109 32.500 0.003 0.000 0.746 381 K HN 0.365 nan 8.250 nan 0.000 0.461 382 V N -1.341 118.584 119.914 0.018 0.000 3.078 382 V HA -0.182 3.929 4.120 -0.015 0.000 0.265 382 V C 1.032 177.150 176.094 0.040 0.000 1.122 382 V CA 1.627 63.941 62.300 0.022 0.000 1.141 382 V CB -0.723 31.107 31.823 0.012 0.000 0.735 382 V HN 0.265 nan 8.190 nan 0.000 0.498 383 N N -1.665 117.068 118.700 0.055 0.000 2.454 383 N HA 0.241 4.971 4.740 -0.015 0.000 0.177 383 N C -0.426 175.202 175.510 0.197 0.000 1.049 383 N CA 0.357 53.471 53.050 0.105 0.000 0.887 383 N CB 0.590 39.116 38.487 0.065 0.000 1.095 383 N HN 0.608 nan 8.380 nan 0.000 0.446 384 Y N 0.906 121.163 120.300 -0.073 0.000 2.337 384 Y HA 0.117 4.658 4.550 -0.015 0.000 0.318 384 Y C -1.417 174.391 175.900 -0.152 0.000 1.258 384 Y CA -1.020 56.967 58.100 -0.188 0.000 1.132 384 Y CB 0.865 39.098 38.460 -0.378 0.000 1.307 384 Y HN -0.106 nan 8.280 nan 0.000 0.428 385 T N 2.213 116.567 114.554 -0.333 0.000 2.942 385 T HA 0.425 4.766 4.350 -0.015 0.000 0.289 385 T C 0.786 175.288 174.700 -0.331 0.000 1.044 385 T CA -0.703 61.270 62.100 -0.212 0.000 1.023 385 T CB 1.792 70.588 68.868 -0.120 0.000 1.123 385 T HN 0.510 nan 8.240 nan 0.000 0.512 386 I N -0.068 120.332 120.570 -0.284 0.000 2.264 386 I HA -0.120 4.041 4.170 -0.015 0.000 0.248 386 I C 1.733 177.669 176.117 -0.302 0.000 1.111 386 I CA 1.694 62.788 61.300 -0.343 0.000 1.382 386 I CB -0.507 37.167 38.000 -0.543 0.000 1.060 386 I HN 0.659 nan 8.210 nan 0.000 0.418 387 Y N -0.423 119.831 120.300 -0.076 0.000 2.397 387 Y HA -0.029 4.512 4.550 -0.016 0.000 0.292 387 Y C 1.871 177.735 175.900 -0.061 0.000 1.115 387 Y CA 0.616 58.693 58.100 -0.038 0.000 1.208 387 Y CB -0.296 38.152 38.460 -0.020 0.000 1.046 387 Y HN 0.155 nan 8.280 nan 0.000 0.552 388 D N -1.606 118.791 120.400 -0.005 0.000 2.474 388 D HA 0.225 4.856 4.640 -0.015 0.000 0.213 388 D C 1.615 177.773 176.300 -0.235 0.000 1.120 388 D CA 0.837 54.809 54.000 -0.047 0.000 0.836 388 D CB 0.368 41.163 40.800 -0.009 0.000 1.019 388 D HN 0.263 nan 8.370 nan 0.000 0.507 389 G N 1.556 109.982 108.800 -0.622 0.000 2.614 389 G HA2 -0.403 3.548 3.960 -0.015 0.000 0.303 389 G HA3 -0.403 3.548 3.960 -0.015 0.000 0.303 389 G C 0.878 175.261 174.900 -0.862 0.000 1.270 389 G CA 0.380 44.612 45.100 -1.447 0.000 0.988 389 G HN 0.202 nan 8.290 nan 0.000 0.551 390 F N 1.561 121.370 119.950 -0.235 0.000 2.293 390 F HA 0.080 4.598 4.527 -0.015 0.000 0.300 390 F C 2.054 177.883 175.800 0.049 0.000 1.086 390 F CA 1.321 59.364 58.000 0.071 0.000 1.375 390 F CB -0.167 39.001 39.000 0.279 0.000 1.045 390 F HN 0.139 nan 8.300 nan 0.000 0.516 391 N N 1.760 120.583 118.700 0.205 0.000 3.303 391 N HA 0.126 4.857 4.740 -0.015 0.000 0.304 391 N C -0.403 175.163 175.510 0.093 0.000 1.302 391 N CA 0.083 53.239 53.050 0.176 0.000 1.213 391 N CB -0.230 38.382 38.487 0.209 0.000 1.481 391 N HN 0.163 nan 8.380 nan 0.000 0.546 392 L N 1.640 122.911 121.223 0.080 0.000 2.513 392 L HA 0.065 4.396 4.340 -0.015 0.000 0.272 392 L C 1.364 178.256 176.870 0.036 0.000 1.187 392 L CA -0.311 54.556 54.840 0.044 0.000 0.895 392 L CB 0.265 42.351 42.059 0.045 0.000 1.147 392 L HN 0.256 nan 8.230 nan 0.000 0.483 393 R N 3.982 124.498 120.500 0.028 0.000 2.698 393 R HA -0.010 4.321 4.340 -0.015 0.000 0.266 393 R C 0.104 176.413 176.300 0.015 0.000 1.026 393 R CA -0.349 55.762 56.100 0.018 0.000 1.102 393 R CB -0.041 30.268 30.300 0.015 0.000 0.978 393 R HN 0.750 nan 8.270 nan 0.000 0.436 394 N N -0.495 118.209 118.700 0.007 0.000 2.721 394 N HA -0.202 4.528 4.740 -0.015 0.000 0.249 394 N C -0.656 174.859 175.510 0.008 0.000 1.072 394 N CA 1.780 54.833 53.050 0.005 0.000 0.710 394 N CB -1.393 37.096 38.487 0.004 0.000 0.993 394 N HN 0.953 nan 8.380 nan 0.000 0.547 395 T N -4.852 109.709 114.554 0.012 0.000 2.812 395 T HA 0.386 4.727 4.350 -0.015 0.000 0.294 395 T C 0.847 175.555 174.700 0.014 0.000 1.159 395 T CA -0.476 61.633 62.100 0.014 0.000 1.008 395 T CB 1.726 70.608 68.868 0.023 0.000 1.289 395 T HN -0.100 nan 8.240 nan 0.000 0.514 396 N N -0.383 118.325 118.700 0.014 0.000 2.348 396 N HA 0.005 4.736 4.740 -0.015 0.000 0.185 396 N C 1.452 176.976 175.510 0.024 0.000 1.019 396 N CA 1.232 54.290 53.050 0.013 0.000 0.880 396 N CB -0.669 37.824 38.487 0.010 0.000 0.965 396 N HN 0.635 nan 8.380 nan 0.000 0.437 397 L N -0.952 120.294 121.223 0.038 0.000 2.509 397 L HA 0.218 4.549 4.340 -0.015 0.000 0.222 397 L C 2.151 179.060 176.870 0.065 0.000 1.123 397 L CA 0.443 55.322 54.840 0.065 0.000 0.856 397 L CB -0.353 41.759 42.059 0.089 0.000 0.985 397 L HN 0.143 nan 8.230 nan 0.000 0.456 398 A N 0.673 123.515 122.820 0.036 0.000 1.969 398 A HA 0.026 4.337 4.320 -0.015 0.000 0.218 398 A C 2.090 179.666 177.584 -0.014 0.000 1.169 398 A CA 1.342 53.391 52.037 0.020 0.000 0.635 398 A CB -0.299 18.705 19.000 0.006 0.000 0.810 398 A HN 0.370 nan 8.150 nan 0.000 0.445 399 A N 0.633 123.438 122.820 -0.025 0.000 3.188 399 A HA 0.143 4.454 4.320 -0.015 0.000 0.158 399 A C 0.539 178.042 177.584 -0.135 0.000 1.832 399 A CA 0.188 52.180 52.037 -0.074 0.000 1.046 399 A CB -0.524 18.448 19.000 -0.046 0.000 1.770 399 A HN 0.452 nan 8.150 nan 0.000 0.817 400 N N 0.551 119.182 118.700 -0.116 0.000 3.027 400 N HA 0.149 4.880 4.740 -0.015 0.000 0.309 400 N C -0.996 174.471 175.510 -0.072 0.000 1.222 400 N CA 0.234 53.163 53.050 -0.201 0.000 1.187 400 N CB -0.689 37.762 38.487 -0.061 0.000 1.458 400 N HN 0.399 nan 8.380 nan 0.000 0.535 401 F N -0.362 119.635 119.950 0.079 0.000 3.082 401 F HA -0.286 4.232 4.527 -0.016 0.000 0.272 401 F C 1.303 177.230 175.800 0.212 0.000 0.936 401 F CA -0.005 58.064 58.000 0.115 0.000 0.920 401 F CB -2.204 36.808 39.000 0.020 0.000 0.901 401 F HN 0.318 nan 8.300 nan 0.000 0.695 402 N N 0.603 119.445 118.700 0.237 0.000 2.166 402 N HA -0.090 4.641 4.740 -0.015 0.000 0.186 402 N C 2.235 177.844 175.510 0.164 0.000 1.019 402 N CA 1.340 54.497 53.050 0.179 0.000 0.856 402 N CB -0.562 37.977 38.487 0.087 0.000 0.993 402 N HN 0.565 nan 8.380 nan 0.000 0.426 403 G N 0.488 109.410 108.800 0.203 0.000 2.479 403 G HA2 -0.236 3.715 3.960 -0.015 0.000 0.220 403 G HA3 -0.236 3.715 3.960 -0.015 0.000 0.220 403 G C 1.128 176.158 174.900 0.217 0.000 1.115 403 G CA 0.535 45.771 45.100 0.227 0.000 0.757 403 G HN 0.449 nan 8.290 nan 0.000 0.560 404 Q N -0.189 119.744 119.800 0.222 0.000 2.282 404 Q HA 0.130 4.461 4.340 -0.015 0.000 0.206 404 Q C 0.370 176.255 176.000 -0.192 0.000 0.878 404 Q CA -0.462 55.369 55.803 0.046 0.000 0.944 404 Q CB 0.381 29.276 28.738 0.261 0.000 1.100 404 Q HN 0.289 nan 8.270 nan 0.000 0.509 405 N N 1.761 120.345 118.700 -0.195 0.000 2.420 405 N HA -0.012 4.719 4.740 -0.015 0.000 0.262 405 N C 0.655 175.818 175.510 -0.579 0.000 1.144 405 N CA 0.327 52.977 53.050 -0.667 0.000 0.952 405 N CB 1.270 39.460 38.487 -0.495 0.000 1.081 405 N HN 0.123 nan 8.380 nan 0.000 0.480 406 T N 1.137 115.218 114.554 -0.789 0.000 2.962 406 T HA -0.053 4.288 4.350 -0.015 0.000 0.270 406 T C 1.312 175.809 174.700 -0.338 0.000 1.088 406 T CA 0.909 62.583 62.100 -0.711 0.000 1.127 406 T CB 0.154 68.454 68.868 -0.946 0.000 0.883 406 T HN 0.540 nan 8.240 nan 0.000 0.493 407 E N 0.887 120.900 120.200 -0.313 0.000 2.028 407 E HA 0.039 4.380 4.350 -0.015 0.000 0.190 407 E C 2.113 178.634 176.600 -0.132 0.000 0.984 407 E CA 0.947 57.236 56.400 -0.184 0.000 0.800 407 E CB -0.188 29.405 29.700 -0.179 0.000 0.758 407 E HN 0.496 nan 8.360 nan 0.000 0.448 408 I N 1.166 121.649 120.570 -0.145 0.000 2.286 408 I HA -0.180 3.981 4.170 -0.015 0.000 0.245 408 I C 1.524 177.615 176.117 -0.043 0.000 1.104 408 I CA 0.678 61.930 61.300 -0.080 0.000 1.397 408 I CB 0.038 37.999 38.000 -0.064 0.000 1.072 408 I HN -0.032 nan 8.210 nan 0.000 0.417 409 N N 1.196 119.879 118.700 -0.029 0.000 2.839 409 N HA 0.002 4.733 4.740 -0.015 0.000 0.314 409 N C 0.686 176.229 175.510 0.055 0.000 1.449 409 N CA -0.112 52.956 53.050 0.030 0.000 1.050 409 N CB -0.511 38.035 38.487 0.099 0.000 1.364 409 N HN 0.316 nan 8.380 nan 0.000 0.512 410 N N 0.164 118.867 118.700 0.005 0.000 2.396 410 N HA -0.165 4.566 4.740 -0.015 0.000 0.180 410 N C 1.480 176.978 175.510 -0.020 0.000 1.028 410 N CA 0.958 54.014 53.050 0.009 0.000 0.893 410 N CB -0.407 38.069 38.487 -0.018 0.000 0.967 410 N HN 0.392 nan 8.380 nan 0.000 0.440 411 M N -2.103 117.470 119.600 -0.045 0.000 2.748 411 M HA 0.182 4.653 4.480 -0.015 0.000 0.241 411 M C 0.547 176.769 176.300 -0.130 0.000 1.080 411 M CA 1.196 56.457 55.300 -0.065 0.000 1.068 411 M CB 0.008 32.580 32.600 -0.047 0.000 1.536 411 M HN 0.089 nan 8.290 nan 0.000 0.540 412 N N -0.822 117.737 118.700 -0.237 0.000 2.166 412 N HA 0.225 4.956 4.740 -0.015 0.000 0.222 412 N C -1.094 173.888 175.510 -0.880 0.000 1.282 412 N CA 0.158 52.896 53.050 -0.520 0.000 0.890 412 N CB 0.878 38.953 38.487 -0.687 0.000 1.114 412 N HN 0.359 nan 8.380 nan 0.000 0.494 413 F N 1.141 120.961 119.950 -0.218 0.000 2.496 413 F HA 0.354 4.872 4.527 -0.016 0.000 0.341 413 F C 0.046 175.826 175.800 -0.033 0.000 1.134 413 F CA -0.602 57.256 58.000 -0.236 0.000 0.968 413 F CB 1.710 40.317 39.000 -0.655 0.000 1.205 413 F HN -0.393 nan 8.300 nan 0.000 0.436 414 T N 3.595 118.252 114.554 0.173 0.000 2.743 414 T HA 0.149 4.489 4.350 -0.015 0.000 0.293 414 T C 0.105 174.957 174.700 0.254 0.000 0.945 414 T CA -0.644 61.550 62.100 0.157 0.000 1.030 414 T CB 0.588 69.475 68.868 0.033 0.000 0.912 414 T HN 0.411 nan 8.240 nan 0.000 0.483 415 K N 3.833 124.363 120.400 0.216 0.000 2.401 415 K HA 0.307 4.618 4.320 -0.015 0.000 0.278 415 K C -0.458 176.076 176.600 -0.110 0.000 1.018 415 K CA -0.084 56.198 56.287 -0.009 0.000 0.981 415 K CB 0.359 32.858 32.500 -0.002 0.000 0.933 415 K HN 0.507 nan 8.250 nan 0.000 0.477 416 L N 2.726 123.794 121.223 -0.258 0.000 2.286 416 L HA 0.429 4.760 4.340 -0.015 0.000 0.265 416 L C -0.171 176.612 176.870 -0.145 0.000 1.012 416 L CA -1.128 53.584 54.840 -0.214 0.000 0.818 416 L CB 1.713 43.485 42.059 -0.477 0.000 1.337 416 L HN 0.578 nan 8.230 nan 0.000 0.438 417 K N 1.513 121.924 120.400 0.017 0.000 2.276 417 K HA 0.102 4.413 4.320 -0.015 0.000 0.283 417 K C -0.339 176.335 176.600 0.123 0.000 1.044 417 K CA -0.433 55.857 56.287 0.006 0.000 0.944 417 K CB 0.727 33.173 32.500 -0.090 0.000 1.012 417 K HN 0.405 nan 8.250 nan 0.000 0.472 418 N N 4.138 122.851 118.700 0.023 0.000 2.430 418 N HA 0.069 4.800 4.740 -0.015 0.000 0.265 418 N C -0.327 175.265 175.510 0.137 0.000 1.100 418 N CA -0.170 52.952 53.050 0.121 0.000 0.961 418 N CB 0.264 38.769 38.487 0.030 0.000 1.075 418 N HN 0.524 nan 8.380 nan 0.000 0.478 419 F N 0.624 120.661 119.950 0.145 0.000 2.797 419 F HA 0.124 4.642 4.527 -0.015 0.000 0.302 419 F C 1.034 176.920 175.800 0.143 0.000 1.130 419 F CA 0.222 58.319 58.000 0.162 0.000 1.387 419 F CB 0.081 39.256 39.000 0.292 0.000 1.107 419 F HN 0.250 nan 8.300 nan 0.000 0.577 420 T N 1.077 115.798 114.554 0.278 0.000 2.739 420 T HA 0.361 4.702 4.350 -0.015 0.000 0.298 420 T C 0.906 175.682 174.700 0.126 0.000 0.929 420 T CA -0.367 61.872 62.100 0.232 0.000 1.014 420 T CB 0.311 69.345 68.868 0.276 0.000 0.914 420 T HN 0.300 nan 8.240 nan 0.000 0.509 421 G N 2.026 110.867 108.800 0.068 0.000 2.568 421 G HA2 0.091 4.042 3.960 -0.015 0.000 0.231 421 G HA3 0.091 4.042 3.960 -0.015 0.000 0.231 421 G C 1.107 176.007 174.900 0.000 0.000 1.261 421 G CA -0.501 44.600 45.100 0.002 0.000 0.855 421 G HN 0.723 nan 8.290 nan 0.000 0.576 422 L N 0.740 121.894 121.223 -0.116 0.000 2.201 422 L HA 0.244 4.575 4.340 -0.015 0.000 0.212 422 L C 1.436 178.045 176.870 -0.435 0.000 1.105 422 L CA 1.460 56.124 54.840 -0.292 0.000 0.775 422 L CB -0.096 41.679 42.059 -0.474 0.000 0.913 422 L HN 0.541 nan 8.230 nan 0.000 0.440 423 F N -1.674 118.273 119.950 -0.004 0.000 2.814 423 F HA 0.202 4.720 4.527 -0.015 0.000 0.326 423 F C 1.712 177.487 175.800 -0.042 0.000 1.159 423 F CA -0.392 57.575 58.000 -0.054 0.000 1.234 423 F CB 0.247 39.094 39.000 -0.256 0.000 1.016 423 F HN -0.009 nan 8.300 nan 0.000 0.510 424 E N 1.430 121.680 120.200 0.083 0.000 2.048 424 E HA -0.182 4.159 4.350 -0.015 0.000 0.202 424 E C -0.142 176.317 176.600 -0.235 0.000 1.021 424 E CA 1.710 58.014 56.400 -0.160 0.000 0.825 424 E CB 0.084 29.618 29.700 -0.277 0.000 0.756 424 E HN 0.278 nan 8.360 nan 0.000 0.454 425 F N 0.156 120.281 119.950 0.293 0.000 2.427 425 F HA 0.380 4.898 4.527 -0.015 0.000 0.348 425 F C -0.665 175.260 175.800 0.210 0.000 1.125 425 F CA -1.009 57.108 58.000 0.195 0.000 0.989 425 F CB 1.329 40.362 39.000 0.055 0.000 1.165 425 F HN -0.020 nan 8.300 nan 0.000 0.442 426 Y N 0.184 120.573 120.300 0.148 0.000 2.624 426 Y HA 0.697 5.238 4.550 -0.015 0.000 0.334 426 Y C -1.674 174.246 175.900 0.034 0.000 1.155 426 Y CA -1.595 56.554 58.100 0.083 0.000 1.046 426 Y CB 1.515 40.035 38.460 0.101 0.000 1.316 426 Y HN 0.331 nan 8.280 nan 0.000 0.457 427 K N 1.758 122.178 120.400 0.033 0.000 2.221 427 K HA 0.638 4.949 4.320 -0.015 0.000 0.243 427 K C -1.922 174.757 176.600 0.131 0.000 0.968 427 K CA -1.170 55.118 56.287 0.002 0.000 0.846 427 K CB 2.380 34.921 32.500 0.068 0.000 1.141 427 K HN 0.684 nan 8.250 nan 0.000 0.434 428 L N 3.510 124.813 121.223 0.133 0.000 2.318 428 L HA 0.370 4.701 4.340 -0.015 0.000 0.277 428 L C -1.442 175.527 176.870 0.164 0.000 1.008 428 L CA -0.264 54.663 54.840 0.145 0.000 0.846 428 L CB 0.744 42.880 42.059 0.129 0.000 1.220 428 L HN 0.435 nan 8.230 nan 0.000 0.423 429 L N 4.651 125.946 121.223 0.121 0.000 2.282 429 L HA 0.575 4.905 4.340 -0.015 0.000 0.288 429 L C -0.509 176.482 176.870 0.201 0.000 1.033 429 L CA -0.428 54.510 54.840 0.163 0.000 0.807 429 L CB 1.184 43.316 42.059 0.123 0.000 1.209 429 L HN 0.609 nan 8.230 nan 0.000 0.423 430 c N 2.325 121.027 118.600 0.170 0.000 2.871 430 c HA 0.809 5.370 4.570 -0.015 0.000 0.351 430 c C -0.087 173.997 174.090 -0.010 0.000 1.338 430 c CA -0.743 55.654 56.329 0.114 0.000 1.686 430 c CB 2.231 44.772 42.510 0.051 0.000 2.135 430 c HN 0.510 nan 8.230 nan 0.000 0.476 431 V N 1.526 121.377 119.914 -0.104 0.000 2.569 431 V HA 0.434 4.545 4.120 -0.015 0.000 0.301 431 V C 0.046 176.045 176.094 -0.160 0.000 1.044 431 V CA -0.537 61.623 62.300 -0.233 0.000 0.874 431 V CB 1.352 32.873 31.823 -0.502 0.000 1.002 431 V HN 0.795 nan 8.190 nan 0.000 0.424 454 c N 3.485 122.128 118.600 0.072 0.000 2.779 454 c HA 0.909 5.470 4.570 -0.015 0.000 0.314 454 c C -0.129 173.975 174.090 0.024 0.000 1.231 454 c CA -0.651 55.723 56.329 0.076 0.000 1.652 454 c CB 1.747 44.280 42.510 0.038 0.000 2.198 454 c HN 0.868 nan 8.230 nan 0.000 0.483 455 I N -0.825 119.727 120.570 -0.029 0.000 2.534 455 I HA 0.505 4.666 4.170 -0.015 0.000 0.288 455 I C -0.607 175.404 176.117 -0.176 0.000 1.077 455 I CA -0.607 60.615 61.300 -0.131 0.000 1.051 455 I CB 1.027 38.935 38.000 -0.153 0.000 1.234 455 I HN 0.477 nan 8.210 nan 0.000 0.425 456 K N 4.696 124.880 120.400 -0.360 0.000 2.451 456 K HA 0.393 4.704 4.320 -0.015 0.000 0.280 456 K C -0.785 175.600 176.600 -0.357 0.000 1.020 456 K CA -0.227 55.774 56.287 -0.476 0.000 1.008 456 K CB 1.201 32.922 32.500 -1.297 0.000 0.917 456 K HN 0.482 nan 8.250 nan 0.000 0.478 457 V N 3.672 123.580 119.914 -0.010 0.000 2.487 457 V HA 0.082 4.193 4.120 -0.015 0.000 0.298 457 V C 0.066 176.313 176.094 0.256 0.000 1.028 457 V CA -1.171 61.202 62.300 0.122 0.000 0.860 457 V CB 1.597 33.343 31.823 -0.129 0.000 0.991 457 V HN 0.796 nan 8.190 nan 0.000 0.427 458 N N 3.388 122.318 118.700 0.384 0.000 2.454 458 N HA -0.056 4.675 4.740 -0.015 0.000 0.260 458 N C 1.134 176.691 175.510 0.078 0.000 1.218 458 N CA 0.474 53.706 53.050 0.303 0.000 0.904 458 N CB 0.698 39.329 38.487 0.240 0.000 1.065 458 N HN 0.826 nan 8.380 nan 0.000 0.462 459 N N 3.768 122.408 118.700 -0.100 0.000 2.137 459 N HA -0.191 4.540 4.740 -0.015 0.000 0.190 459 N C 0.844 176.092 175.510 -0.436 0.000 1.017 459 N CA 1.867 54.679 53.050 -0.397 0.000 0.859 459 N CB -0.188 37.871 38.487 -0.714 0.000 1.002 459 N HN 0.674 nan 8.380 nan 0.000 0.428 460 W N -0.264 121.024 121.300 -0.020 0.000 3.077 460 W HA 0.168 4.819 4.660 -0.015 0.000 0.245 460 W C 0.819 177.377 176.519 0.065 0.000 1.316 460 W CA -0.454 56.796 57.345 -0.159 0.000 1.537 460 W CB 0.203 29.465 29.460 -0.329 0.000 1.131 460 W HN 0.018 nan 8.180 nan 0.000 0.695 461 D N 0.145 120.681 120.400 0.227 0.000 2.349 461 D HA 0.147 4.778 4.640 -0.015 0.000 0.214 461 D C 0.641 177.073 176.300 0.220 0.000 1.063 461 D CA 0.390 54.534 54.000 0.241 0.000 0.847 461 D CB 0.104 41.057 40.800 0.256 0.000 0.933 461 D HN 0.116 nan 8.370 nan 0.000 0.513 462 L N -0.596 120.711 121.223 0.141 0.000 2.440 462 L HA 0.363 4.694 4.340 -0.015 0.000 0.262 462 L C 0.153 177.140 176.870 0.195 0.000 1.072 462 L CA -0.945 54.003 54.840 0.180 0.000 0.798 462 L CB 0.671 42.770 42.059 0.067 0.000 1.307 462 L HN -0.229 nan 8.230 nan 0.000 0.475 463 F N 0.037 120.207 119.950 0.368 0.000 2.389 463 F HA 0.200 4.717 4.527 -0.016 0.000 0.337 463 F C 0.052 176.081 175.800 0.382 0.000 1.112 463 F CA -0.014 58.228 58.000 0.403 0.000 1.192 463 F CB 0.657 39.950 39.000 0.488 0.000 1.185 463 F HN 0.088 nan 8.300 nan 0.000 0.552 464 F N 2.665 122.873 119.950 0.431 0.000 2.421 464 F HA 0.349 4.867 4.527 -0.015 0.000 0.358 464 F C 0.153 176.151 175.800 0.330 0.000 1.115 464 F CA -0.161 58.035 58.000 0.326 0.000 1.160 464 F CB 0.526 39.694 39.000 0.279 0.000 1.123 464 F HN 0.222 nan 8.300 nan 0.000 0.508 465 S N 8.773 124.237 115.700 -0.393 0.000 2.532 465 S HA 0.437 4.898 4.470 -0.015 0.000 0.256 465 S C -2.757 171.430 174.600 -0.689 0.000 1.298 465 S CA -1.722 56.097 58.200 -0.634 0.000 1.166 465 S CB 0.250 63.047 63.200 -0.671 0.000 1.022 465 S HN 0.453 nan 8.310 nan 0.000 0.480 466 P HA 0.108 nan 4.420 nan 0.000 0.271 466 P C -0.097 177.041 177.300 -0.271 0.000 1.220 466 P CA -0.090 62.755 63.100 -0.424 0.000 0.768 466 P CB 0.918 32.615 31.700 -0.006 0.000 0.848 467 S N 1.836 117.349 115.700 -0.311 0.000 2.560 467 S HA -0.044 4.417 4.470 -0.015 0.000 0.284 467 S C 1.496 175.996 174.600 -0.166 0.000 1.327 467 S CA -0.108 57.954 58.200 -0.230 0.000 1.055 467 S CB 0.167 63.231 63.200 -0.228 0.000 0.868 467 S HN 0.476 nan 8.310 nan 0.000 0.506 468 E N 2.689 122.863 120.200 -0.043 0.000 2.267 468 E HA -0.162 4.179 4.350 -0.015 0.000 0.197 468 E C 0.921 177.537 176.600 0.025 0.000 0.998 468 E CA 1.901 58.359 56.400 0.097 0.000 0.830 468 E CB -0.187 29.550 29.700 0.062 0.000 0.751 468 E HN 0.750 nan 8.360 nan 0.000 0.491 469 D N 0.135 120.473 120.400 -0.103 0.000 2.218 469 D HA -0.131 4.500 4.640 -0.015 0.000 0.204 469 D C 1.214 177.390 176.300 -0.207 0.000 0.976 469 D CA 0.629 54.556 54.000 -0.121 0.000 0.853 469 D CB -0.363 40.362 40.800 -0.126 0.000 0.939 469 D HN 0.273 nan 8.370 nan 0.000 0.481 470 N N 0.029 118.449 118.700 -0.467 0.000 2.348 470 N HA -0.126 4.605 4.740 -0.015 0.000 0.185 470 N C -0.018 175.155 175.510 -0.562 0.000 1.019 470 N CA 0.507 53.130 53.050 -0.712 0.000 0.880 470 N CB -0.079 37.474 38.487 -1.558 0.000 0.965 470 N HN 0.262 nan 8.380 nan 0.000 0.437 471 F N 0.857 120.830 119.950 0.039 0.000 2.307 471 F HA 0.234 4.751 4.527 -0.016 0.000 0.369 471 F C 0.556 176.470 175.800 0.190 0.000 1.076 471 F CA -0.982 57.100 58.000 0.137 0.000 1.149 471 F CB 0.816 39.862 39.000 0.076 0.000 1.410 471 F HN -0.255 nan 8.300 nan 0.000 0.481 472 T N -0.039 114.700 114.554 0.308 0.000 2.888 472 T HA 0.750 5.091 4.350 -0.015 0.000 0.284 472 T C -0.551 174.242 174.700 0.154 0.000 1.017 472 T CA -0.766 61.442 62.100 0.180 0.000 1.022 472 T CB 2.192 71.107 68.868 0.078 0.000 1.013 472 T HN 0.589 nan 8.240 nan 0.000 0.465 473 N N -0.400 118.302 118.700 0.004 0.000 2.853 473 N HA 0.552 5.283 4.740 -0.015 0.000 0.258 473 N C -1.160 174.290 175.510 -0.101 0.000 1.444 473 N CA -0.859 52.122 53.050 -0.115 0.000 0.837 473 N CB 1.367 39.591 38.487 -0.438 0.000 1.489 473 N HN 0.622 nan 8.380 nan 0.000 0.529 474 D N -0.432 119.904 120.400 -0.107 0.000 2.650 474 D HA 0.155 4.786 4.640 -0.015 0.000 0.265 474 D C 0.539 176.785 176.300 -0.091 0.000 1.339 474 D CA -0.329 53.626 54.000 -0.075 0.000 0.816 474 D CB -0.490 40.286 40.800 -0.039 0.000 1.091 474 D HN 0.541 nan 8.370 nan 0.000 0.483 475 L N 0.740 121.871 121.223 -0.154 0.000 2.191 475 L HA -0.152 4.179 4.340 -0.015 0.000 0.212 475 L C 2.335 179.136 176.870 -0.115 0.000 1.103 475 L CA 1.288 56.025 54.840 -0.172 0.000 0.769 475 L CB -0.551 41.348 42.059 -0.267 0.000 0.908 475 L HN 0.191 nan 8.230 nan 0.000 0.438 476 N N -0.016 118.630 118.700 -0.090 0.000 2.309 476 N HA -0.133 4.598 4.740 -0.015 0.000 0.182 476 N C 0.467 175.969 175.510 -0.013 0.000 1.018 476 N CA 0.743 53.764 53.050 -0.049 0.000 0.876 476 N CB -0.283 38.178 38.487 -0.045 0.000 0.972 476 N HN 0.148 nan 8.380 nan 0.000 0.434 477 K N 1.805 122.200 120.400 -0.008 0.000 2.436 477 K HA 0.156 4.467 4.320 -0.015 0.000 0.282 477 K C 0.726 177.365 176.600 0.065 0.000 1.044 477 K CA 0.029 56.328 56.287 0.021 0.000 1.028 477 K CB 0.326 32.835 32.500 0.014 0.000 0.919 477 K HN 0.261 nan 8.250 nan 0.000 0.474 478 G N 2.058 110.907 108.800 0.081 0.000 2.636 478 G HA2 0.119 4.070 3.960 -0.015 0.000 0.246 478 G HA3 0.119 4.070 3.960 -0.015 0.000 0.246 478 G C -0.561 174.422 174.900 0.138 0.000 1.216 478 G CA -0.250 44.934 45.100 0.140 0.000 0.854 478 G HN 0.638 nan 8.290 nan 0.000 0.572 479 E N -0.541 119.778 120.200 0.199 0.000 2.272 479 E HA 0.365 4.706 4.350 -0.015 0.000 0.269 479 E C -1.009 175.582 176.600 -0.014 0.000 0.877 479 E CA -0.706 55.733 56.400 0.065 0.000 0.755 479 E CB 1.833 31.529 29.700 -0.007 0.000 1.192 479 E HN 0.415 nan 8.360 nan 0.000 0.422 480 E N 4.914 125.084 120.200 -0.050 0.000 2.130 480 E HA 0.205 4.546 4.350 -0.015 0.000 0.284 480 E C -0.650 175.874 176.600 -0.126 0.000 1.018 480 E CA -0.530 55.833 56.400 -0.063 0.000 0.817 480 E CB 0.526 30.210 29.700 -0.028 0.000 1.078 480 E HN 0.367 nan 8.360 nan 0.000 0.396 481 I N 5.124 125.596 120.570 -0.164 0.000 2.342 481 I HA 0.188 4.349 4.170 -0.015 0.000 0.291 481 I C 0.776 176.870 176.117 -0.039 0.000 1.010 481 I CA -0.282 60.916 61.300 -0.170 0.000 1.308 481 I CB 0.412 38.267 38.000 -0.240 0.000 1.400 481 I HN 0.659 nan 8.210 nan 0.000 0.488 482 T N 1.182 115.747 114.554 0.018 0.000 2.870 482 T HA 0.334 4.675 4.350 -0.015 0.000 0.277 482 T C 1.151 175.932 174.700 0.135 0.000 1.000 482 T CA -0.071 62.129 62.100 0.166 0.000 0.982 482 T CB 1.443 70.405 68.868 0.156 0.000 1.249 482 T HN 0.548 nan 8.240 nan 0.000 0.589 483 S N -0.518 115.259 115.700 0.129 0.000 2.436 483 S HA -0.063 4.398 4.470 -0.015 0.000 0.228 483 S C 1.258 175.822 174.600 -0.060 0.000 1.014 483 S CA 0.922 59.065 58.200 -0.094 0.000 0.950 483 S CB -0.765 62.161 63.200 -0.457 0.000 0.784 483 S HN 0.694 nan 8.310 nan 0.000 0.504 484 D N 1.980 122.373 120.400 -0.012 0.000 2.178 484 D HA 0.046 4.677 4.640 -0.015 0.000 0.201 484 D C 0.538 176.833 176.300 -0.008 0.000 0.980 484 D CA 0.787 54.783 54.000 -0.006 0.000 0.842 484 D CB -0.839 39.974 40.800 0.021 0.000 0.948 484 D HN 0.333 nan 8.370 nan 0.000 0.472 485 T N 0.892 115.441 114.554 -0.009 0.000 2.923 485 T HA -0.135 4.206 4.350 -0.015 0.000 0.309 485 T C 0.318 175.005 174.700 -0.022 0.000 1.059 485 T CA 0.168 62.252 62.100 -0.027 0.000 1.133 485 T CB 0.118 68.950 68.868 -0.061 0.000 1.053 485 T HN 0.024 nan 8.240 nan 0.000 0.530 486 N N 2.592 121.279 118.700 -0.021 0.000 2.444 486 N HA 0.221 4.952 4.740 -0.015 0.000 0.271 486 N C -0.798 174.711 175.510 -0.002 0.000 1.069 486 N CA -0.399 52.645 53.050 -0.010 0.000 0.965 486 N CB 0.278 38.761 38.487 -0.008 0.000 1.092 486 N HN 0.312 nan 8.380 nan 0.000 0.476 487 I N 2.491 123.065 120.570 0.006 0.000 2.330 487 I HA 0.245 4.406 4.170 -0.015 0.000 0.289 487 I C 0.776 176.907 176.117 0.022 0.000 1.001 487 I CA -0.460 60.851 61.300 0.019 0.000 1.193 487 I CB 0.844 38.855 38.000 0.020 0.000 1.345 487 I HN 0.538 nan 8.210 nan 0.000 0.461 488 E N 3.689 123.909 120.200 0.032 0.000 2.371 488 E HA 0.559 4.900 4.350 -0.015 0.000 0.257 488 E C 0.302 176.925 176.600 0.037 0.000 1.134 488 E CA -0.098 56.323 56.400 0.035 0.000 0.919 488 E CB 1.184 30.911 29.700 0.045 0.000 1.025 488 E HN 0.757 nan 8.360 nan 0.000 0.438 494 I N 2.432 122.988 120.570 -0.025 0.000 2.293 494 I HA 0.062 4.223 4.170 -0.015 0.000 0.299 494 I C 1.083 177.174 176.117 -0.044 0.000 1.153 494 I CA -0.057 61.217 61.300 -0.044 0.000 1.302 494 I CB -0.229 37.727 38.000 -0.073 0.000 1.460 494 I HN 0.413 nan 8.210 nan 0.000 0.552 495 S N 5.363 121.043 115.700 -0.033 0.000 2.681 495 S HA 0.426 4.887 4.470 -0.015 0.000 0.270 495 S C 1.076 175.650 174.600 -0.043 0.000 1.209 495 S CA -0.871 57.305 58.200 -0.040 0.000 0.988 495 S CB 1.555 64.738 63.200 -0.028 0.000 1.006 495 S HN 0.524 nan 8.310 nan 0.000 0.558 496 L N 0.426 121.607 121.223 -0.071 0.000 2.141 496 L HA -0.095 4.236 4.340 -0.015 0.000 0.209 496 L C 1.860 178.719 176.870 -0.019 0.000 1.094 496 L CA 1.244 56.036 54.840 -0.080 0.000 0.763 496 L CB -0.843 41.105 42.059 -0.184 0.000 0.908 496 L HN 0.639 nan 8.230 nan 0.000 0.437 497 D N 0.317 120.707 120.400 -0.017 0.000 2.104 497 D HA -0.233 4.398 4.640 -0.015 0.000 0.194 497 D C 2.025 178.360 176.300 0.057 0.000 0.994 497 D CA 1.081 55.089 54.000 0.012 0.000 0.830 497 D CB -0.424 40.379 40.800 0.003 0.000 0.959 497 D HN 0.129 nan 8.370 nan 0.000 0.452 498 L N 0.597 121.857 121.223 0.060 0.000 2.046 498 L HA -0.056 4.275 4.340 -0.015 0.000 0.208 498 L C 2.067 179.050 176.870 0.188 0.000 1.077 498 L CA 1.282 56.197 54.840 0.124 0.000 0.747 498 L CB -0.398 41.711 42.059 0.084 0.000 0.896 498 L HN 0.022 nan 8.230 nan 0.000 0.432 499 I N -0.831 119.798 120.570 0.099 0.000 2.335 499 I HA -0.303 3.858 4.170 -0.015 0.000 0.251 499 I C 2.447 178.696 176.117 0.220 0.000 1.129 499 I CA 1.189 62.558 61.300 0.115 0.000 1.402 499 I CB -0.232 37.833 38.000 0.108 0.000 1.069 499 I HN 0.415 nan 8.210 nan 0.000 0.424 500 Q N 0.631 120.535 119.800 0.173 0.000 2.083 500 Q HA -0.191 4.139 4.340 -0.015 0.000 0.198 500 Q C 2.156 178.294 176.000 0.229 0.000 0.969 500 Q CA 1.499 57.402 55.803 0.166 0.000 0.838 500 Q CB -0.077 28.705 28.738 0.073 0.000 0.900 500 Q HN 0.358 nan 8.270 nan 0.000 0.436 501 Q N -1.035 118.886 119.800 0.202 0.000 2.291 501 Q HA -0.127 4.203 4.340 -0.015 0.000 0.205 501 Q C 1.595 177.681 176.000 0.143 0.000 0.970 501 Q CA 1.049 56.942 55.803 0.149 0.000 0.876 501 Q CB -0.207 28.583 28.738 0.087 0.000 0.935 501 Q HN 0.512 nan 8.270 nan 0.000 0.455 502 Y N -0.870 119.506 120.300 0.128 0.000 2.184 502 Y HA -0.203 4.350 4.550 0.004 0.000 0.290 502 Y C 2.194 178.272 175.900 0.297 0.000 1.129 502 Y CA 0.944 59.136 58.100 0.154 0.000 1.144 502 Y CB -0.722 37.813 38.460 0.125 0.000 0.995 502 Y HN 0.151 nan 8.280 nan 0.000 0.513 503 Y N 0.308 120.814 120.300 0.343 0.000 2.193 503 Y HA -0.278 4.260 4.550 -0.020 0.000 0.285 503 Y C 1.879 177.952 175.900 0.288 0.000 1.166 503 Y CA 1.629 59.904 58.100 0.292 0.000 1.181 503 Y CB -0.452 38.106 38.460 0.163 0.000 0.976 503 Y HN 0.051 nan 8.280 nan 0.000 0.520 504 L N -0.454 120.993 121.223 0.374 0.000 2.395 504 L HA -0.111 4.220 4.340 -0.015 0.000 0.218 504 L C 2.357 179.286 176.870 0.099 0.000 1.130 504 L CA 1.419 56.407 54.840 0.247 0.000 0.826 504 L CB -0.610 41.568 42.059 0.199 0.000 0.941 504 L HN 0.376 nan 8.230 nan 0.000 0.451 505 T N -3.607 110.976 114.554 0.049 0.000 3.067 505 T HA 0.019 4.360 4.350 -0.015 0.000 0.257 505 T C 0.619 175.223 174.700 -0.159 0.000 1.105 505 T CA -0.273 61.783 62.100 -0.073 0.000 1.104 505 T CB -0.302 68.469 68.868 -0.161 0.000 0.925 505 T HN -0.118 nan 8.240 nan 0.000 0.498 506 F N 2.688 122.446 119.950 -0.319 0.000 2.595 506 F HA 0.245 4.762 4.527 -0.016 0.000 0.359 506 F C 1.089 176.543 175.800 -0.577 0.000 1.147 506 F CA -0.099 57.549 58.000 -0.587 0.000 1.341 506 F CB 0.338 38.613 39.000 -1.208 0.000 1.104 506 F HN 0.113 nan 8.300 nan 0.000 0.603 507 N N 3.990 122.469 118.700 -0.367 0.000 2.558 507 N HA 0.161 4.892 4.740 -0.015 0.000 0.242 507 N C -0.402 175.026 175.510 -0.137 0.000 0.979 507 N CA -0.247 52.683 53.050 -0.200 0.000 0.931 507 N CB 0.433 38.851 38.487 -0.115 0.000 1.122 507 N HN 0.508 nan 8.380 nan 0.000 0.508 508 F N 0.915 120.932 119.950 0.112 0.000 2.676 508 F HA 0.196 4.716 4.527 -0.013 0.000 0.300 508 F C 0.963 176.833 175.800 0.116 0.000 1.160 508 F CA 0.054 58.123 58.000 0.116 0.000 1.401 508 F CB 0.331 39.359 39.000 0.047 0.000 1.037 508 F HN 0.342 nan 8.300 nan 0.000 0.522 509 D N -1.511 119.018 120.400 0.214 0.000 3.402 509 D HA 0.074 4.705 4.640 -0.015 0.000 0.287 509 D C -0.589 175.778 176.300 0.111 0.000 1.365 509 D CA -0.468 53.631 54.000 0.165 0.000 1.012 509 D CB 0.362 41.242 40.800 0.134 0.000 1.325 509 D HN -0.212 nan 8.370 nan 0.000 0.627 510 N N 1.852 120.602 118.700 0.083 0.000 2.614 510 N HA -0.228 4.503 4.740 -0.015 0.000 0.276 510 N C -0.796 174.757 175.510 0.072 0.000 1.119 510 N CA 0.567 53.655 53.050 0.063 0.000 0.742 510 N CB -0.944 37.568 38.487 0.041 0.000 0.900 510 N HN 0.359 nan 8.380 nan 0.000 0.549 511 E N 1.686 121.935 120.200 0.081 0.000 2.354 511 E HA 0.246 4.586 4.350 -0.015 0.000 0.269 511 E C -1.929 174.709 176.600 0.063 0.000 1.036 511 E CA -1.659 54.794 56.400 0.088 0.000 0.876 511 E CB 0.605 30.358 29.700 0.089 0.000 1.009 511 E HN 0.312 nan 8.360 nan 0.000 0.416 512 P HA -0.049 nan 4.420 nan 0.000 0.264 512 P C -0.827 176.511 177.300 0.062 0.000 1.193 512 P CA 0.282 63.401 63.100 0.031 0.000 0.763 512 P CB 0.566 32.266 31.700 -0.000 0.000 0.810 513 E N 2.118 122.383 120.200 0.107 0.000 2.383 513 E HA 0.072 4.413 4.350 -0.015 0.000 0.264 513 E C 0.400 177.048 176.600 0.081 0.000 1.050 513 E CA -0.259 56.196 56.400 0.092 0.000 0.896 513 E CB 0.427 30.188 29.700 0.102 0.000 0.982 513 E HN 0.355 nan 8.360 nan 0.000 0.424 514 N N 2.443 121.175 118.700 0.054 0.000 2.442 514 N HA 0.159 4.889 4.740 -0.015 0.000 0.265 514 N C -0.609 174.930 175.510 0.049 0.000 1.138 514 N CA -0.132 52.958 53.050 0.066 0.000 0.956 514 N CB 0.068 38.586 38.487 0.052 0.000 1.067 514 N HN 0.433 nan 8.380 nan 0.000 0.474 515 I N -0.414 120.200 120.570 0.073 0.000 2.785 515 I HA 0.509 4.670 4.170 -0.015 0.000 0.302 515 I C 0.244 176.402 176.117 0.067 0.000 1.069 515 I CA -1.135 60.192 61.300 0.045 0.000 1.045 515 I CB 1.889 39.917 38.000 0.047 0.000 1.236 515 I HN 0.393 nan 8.210 nan 0.000 0.429 516 S N 5.964 121.687 115.700 0.038 0.000 2.549 516 S HA 0.507 4.968 4.470 -0.015 0.000 0.286 516 S C -0.200 174.451 174.600 0.085 0.000 1.314 516 S CA -0.408 57.820 58.200 0.046 0.000 1.062 516 S CB 0.154 63.365 63.200 0.018 0.000 0.865 516 S HN 0.715 nan 8.310 nan 0.000 0.498 517 I N -1.002 119.620 120.570 0.086 0.000 2.934 517 I HA 0.619 4.780 4.170 -0.015 0.000 0.306 517 I C -0.516 175.629 176.117 0.046 0.000 1.110 517 I CA -1.273 60.090 61.300 0.105 0.000 1.019 517 I CB 1.849 39.930 38.000 0.134 0.000 1.227 517 I HN 0.530 nan 8.210 nan 0.000 0.434 518 E N 2.784 123.005 120.200 0.036 0.000 2.360 518 E HA 0.140 4.481 4.350 -0.015 0.000 0.269 518 E C -0.744 175.848 176.600 -0.013 0.000 1.022 518 E CA -0.487 55.914 56.400 0.002 0.000 0.887 518 E CB 0.414 30.118 29.700 0.006 0.000 0.990 518 E HN 0.434 nan 8.360 nan 0.000 0.426 519 N N 2.776 121.451 118.700 -0.043 0.000 2.223 519 N HA -0.088 4.642 4.740 -0.015 0.000 0.271 519 N C -0.448 175.080 175.510 0.031 0.000 1.315 519 N CA 0.326 53.355 53.050 -0.035 0.000 0.835 519 N CB 0.197 38.575 38.487 -0.182 0.000 1.066 519 N HN 0.261 nan 8.380 nan 0.000 0.486 520 L N 0.612 121.883 121.223 0.080 0.000 2.475 520 L HA 0.268 4.599 4.340 -0.015 0.000 0.253 520 L C 1.202 178.148 176.870 0.126 0.000 1.198 520 L CA -0.420 54.454 54.840 0.057 0.000 0.814 520 L CB -0.533 41.533 42.059 0.011 0.000 1.134 520 L HN 0.598 nan 8.230 nan 0.000 0.478 521 S N -0.583 115.150 115.700 0.055 0.000 2.566 521 S HA -0.007 4.454 4.470 -0.015 0.000 0.280 521 S C 1.296 175.879 174.600 -0.027 0.000 1.343 521 S CA 0.051 58.281 58.200 0.049 0.000 1.036 521 S CB 0.360 63.556 63.200 -0.006 0.000 0.866 521 S HN 0.707 nan 8.310 nan 0.000 0.526 522 S N 0.411 116.048 115.700 -0.105 0.000 2.419 522 S HA -0.094 4.366 4.470 -0.015 0.000 0.233 522 S C 0.183 174.572 174.600 -0.352 0.000 1.016 522 S CA 0.804 58.708 58.200 -0.493 0.000 0.974 522 S CB -0.478 62.458 63.200 -0.439 0.000 0.786 522 S HN 0.784 nan 8.310 nan 0.000 0.492 523 D N 1.400 121.678 120.400 -0.203 0.000 2.414 523 D HA 0.388 5.019 4.640 -0.015 0.000 0.232 523 D C -0.741 175.472 176.300 -0.144 0.000 1.070 523 D CA -0.318 53.577 54.000 -0.174 0.000 0.839 523 D CB 1.442 42.160 40.800 -0.136 0.000 1.079 523 D HN 0.348 nan 8.370 nan 0.000 0.521 524 I N 3.816 124.286 120.570 -0.167 0.000 2.322 524 I HA 0.194 4.355 4.170 -0.015 0.000 0.292 524 I C 0.479 176.491 176.117 -0.174 0.000 1.060 524 I CA -0.522 60.681 61.300 -0.161 0.000 1.309 524 I CB 0.541 38.429 38.000 -0.187 0.000 1.415 524 I HN 0.116 nan 8.210 nan 0.000 0.492 525 I N 5.922 126.414 120.570 -0.130 0.000 2.416 525 I HA 0.451 4.612 4.170 -0.015 0.000 0.288 525 I C 0.822 176.866 176.117 -0.122 0.000 1.051 525 I CA 0.568 61.803 61.300 -0.108 0.000 1.375 525 I CB 0.932 38.891 38.000 -0.069 0.000 1.407 525 I HN 0.691 nan 8.210 nan 0.000 0.516 526 G N 4.474 113.205 108.800 -0.116 0.000 2.732 526 G HA2 0.602 4.552 3.960 -0.015 0.000 0.296 526 G HA3 0.602 4.552 3.960 -0.015 0.000 0.296 526 G C -1.678 173.351 174.900 0.215 0.000 1.448 526 G CA -0.552 44.523 45.100 -0.041 0.000 0.911 526 G HN 0.335 nan 8.290 nan 0.000 0.528 527 Q N 0.234 120.228 119.800 0.322 0.000 2.309 527 Q HA 0.597 4.928 4.340 -0.015 0.000 0.264 527 Q C 0.278 176.435 176.000 0.262 0.000 1.008 527 Q CA -0.620 55.344 55.803 0.268 0.000 0.853 527 Q CB 2.378 31.193 28.738 0.128 0.000 1.314 527 Q HN 0.554 nan 8.270 nan 0.000 0.448 528 L N 1.508 122.743 121.223 0.020 0.000 2.483 528 L HA 0.030 4.361 4.340 -0.015 0.000 0.276 528 L C 0.657 177.500 176.870 -0.045 0.000 1.213 528 L CA 0.250 54.963 54.840 -0.212 0.000 0.843 528 L CB 0.374 42.278 42.059 -0.259 0.000 1.107 528 L HN 0.580 nan 8.230 nan 0.000 0.487 529 E N 2.032 122.210 120.200 -0.037 0.000 2.493 529 E HA -0.021 4.320 4.350 -0.015 0.000 0.255 529 E C -0.657 175.955 176.600 0.020 0.000 0.999 529 E CA -0.512 55.909 56.400 0.035 0.000 0.934 529 E CB 0.749 30.485 29.700 0.061 0.000 0.940 529 E HN 0.197 nan 8.360 nan 0.000 0.473 530 L N 6.298 127.543 121.223 0.036 0.000 2.313 530 L HA 0.160 4.491 4.340 -0.015 0.000 0.282 530 L C -0.193 176.695 176.870 0.030 0.000 1.092 530 L CA 0.485 55.341 54.840 0.027 0.000 0.831 530 L CB 0.486 42.565 42.059 0.033 0.000 1.159 530 L HN 0.556 nan 8.230 nan 0.000 0.442 531 M N 5.444 125.057 119.600 0.022 0.000 2.527 531 M HA 0.518 4.989 4.480 -0.015 0.000 0.283 531 M C -2.062 174.254 176.300 0.026 0.000 1.188 531 M CA -1.737 53.579 55.300 0.027 0.000 0.941 531 M CB 0.305 32.919 32.600 0.023 0.000 1.498 531 M HN 0.409 nan 8.290 nan 0.000 0.510 532 P HA 0.272 nan 4.420 nan 0.000 0.279 532 P C -0.449 176.866 177.300 0.025 0.000 1.239 532 P CA 0.157 63.275 63.100 0.031 0.000 0.789 532 P CB 0.915 32.640 31.700 0.040 0.000 0.933 533 N N -0.648 118.064 118.700 0.019 0.000 2.940 533 N HA -0.161 4.569 4.740 -0.015 0.000 0.188 533 N C -0.339 175.183 175.510 0.020 0.000 1.042 533 N CA 0.475 53.537 53.050 0.021 0.000 1.014 533 N CB -1.288 37.215 38.487 0.027 0.000 0.981 533 N HN 0.372 nan 8.380 nan 0.000 0.565 534 I N 1.981 122.563 120.570 0.019 0.000 2.566 534 I HA 0.402 4.563 4.170 -0.015 0.000 0.303 534 I C -0.212 175.890 176.117 -0.026 0.000 0.983 534 I CA -0.539 60.777 61.300 0.026 0.000 1.235 534 I CB 1.370 39.405 38.000 0.058 0.000 1.386 534 I HN 0.086 nan 8.210 nan 0.000 0.494 535 E N 5.378 125.558 120.200 -0.033 0.000 2.212 535 E HA 0.434 4.774 4.350 -0.015 0.000 0.268 535 E C -0.844 175.608 176.600 -0.246 0.000 0.902 535 E CA -1.040 55.321 56.400 -0.066 0.000 0.779 535 E CB 1.248 30.968 29.700 0.032 0.000 1.172 535 E HN 0.286 nan 8.360 nan 0.000 0.409 536 R N 2.434 122.813 120.500 -0.202 0.000 2.446 536 R HA 0.102 4.433 4.340 -0.015 0.000 0.314 536 R C -0.312 175.908 176.300 -0.133 0.000 1.003 536 R CA 0.315 56.262 56.100 -0.255 0.000 1.018 536 R CB -0.448 29.807 30.300 -0.075 0.000 0.945 536 R HN 0.429 nan 8.270 nan 0.000 0.419 537 F N 4.201 124.158 119.950 0.011 0.000 2.471 537 F HA 0.174 4.692 4.527 -0.016 0.000 0.353 537 F C -1.131 174.672 175.800 0.004 0.000 1.113 537 F CA -2.120 55.874 58.000 -0.010 0.000 1.262 537 F CB -0.045 38.925 39.000 -0.050 0.000 1.146 537 F HN 0.243 nan 8.300 nan 0.000 0.578 538 P HA 0.034 nan 4.420 nan 0.000 0.268 538 P C -1.086 176.238 177.300 0.039 0.000 1.204 538 P CA -0.125 63.017 63.100 0.070 0.000 0.768 538 P CB 0.519 32.236 31.700 0.027 0.000 0.842 539 N N 1.218 119.913 118.700 -0.009 0.000 2.399 539 N HA 0.431 5.162 4.740 -0.015 0.000 0.295 539 N C -0.090 175.249 175.510 -0.285 0.000 1.048 539 N CA -0.445 52.553 53.050 -0.085 0.000 0.886 539 N CB 0.704 39.186 38.487 -0.009 0.000 1.185 539 N HN 0.407 nan 8.380 nan 0.000 0.487 540 G N 2.794 111.267 108.800 -0.545 0.000 2.192 540 G HA2 0.084 4.035 3.960 -0.015 0.000 0.258 540 G HA3 0.084 4.035 3.960 -0.015 0.000 0.258 540 G C -0.524 174.137 174.900 -0.398 0.000 1.185 540 G CA 0.360 45.167 45.100 -0.489 0.000 0.976 540 G HN 0.789 nan 8.290 nan 0.000 0.446 541 K N 0.044 120.302 120.400 -0.237 0.000 6.195 541 K HA -0.152 4.159 4.320 -0.015 0.000 0.682 541 K C 0.013 176.458 176.600 -0.257 0.000 1.565 541 K CA 0.783 56.921 56.287 -0.248 0.000 1.637 541 K CB -0.528 31.859 32.500 -0.188 0.000 1.930 541 K HN 0.699 nan 8.250 nan 0.000 0.344 542 K N 3.289 123.519 120.400 -0.284 0.000 2.143 542 K HA 0.490 4.800 4.320 -0.015 0.000 0.272 542 K C -1.208 175.173 176.600 -0.366 0.000 1.001 542 K CA -0.290 55.887 56.287 -0.183 0.000 0.915 542 K CB 0.642 33.084 32.500 -0.097 0.000 1.047 542 K HN 0.325 nan 8.250 nan 0.000 0.458 543 Y N 1.683 121.986 120.300 0.004 0.000 2.326 543 Y HA 0.305 4.846 4.550 -0.015 0.000 0.329 543 Y C 0.195 176.091 175.900 -0.006 0.000 0.973 543 Y CA -0.735 57.373 58.100 0.012 0.000 1.162 543 Y CB 1.995 40.486 38.460 0.051 0.000 1.147 543 Y HN 0.671 nan 8.280 nan 0.000 0.456 544 E N 5.217 125.479 120.200 0.104 0.000 2.152 544 E HA 0.421 4.762 4.350 -0.015 0.000 0.285 544 E C -0.843 175.777 176.600 0.034 0.000 1.043 544 E CA -0.249 56.178 56.400 0.044 0.000 0.839 544 E CB 1.030 30.736 29.700 0.010 0.000 1.069 544 E HN 0.523 nan 8.360 nan 0.000 0.399 545 L N 1.937 123.143 121.223 -0.028 0.000 2.303 545 L HA 0.364 4.694 4.340 -0.015 0.000 0.266 545 L C 0.825 177.631 176.870 -0.107 0.000 1.011 545 L CA -0.878 53.912 54.840 -0.084 0.000 0.818 545 L CB 1.217 43.149 42.059 -0.211 0.000 1.326 545 L HN 0.457 nan 8.230 nan 0.000 0.435 546 D N 0.264 120.610 120.400 -0.089 0.000 2.262 546 D HA 0.014 4.644 4.640 -0.015 0.000 0.212 546 D C 0.694 176.925 176.300 -0.114 0.000 0.964 546 D CA 0.876 54.826 54.000 -0.083 0.000 0.875 546 D CB 0.533 41.313 40.800 -0.033 0.000 0.996 546 D HN 0.532 nan 8.370 nan 0.000 0.497 547 K N 0.545 120.881 120.400 -0.108 0.000 2.139 547 K HA 0.369 4.680 4.320 -0.015 0.000 0.243 547 K C -0.557 175.949 176.600 -0.156 0.000 0.983 547 K CA -0.598 55.649 56.287 -0.067 0.000 0.890 547 K CB -0.026 32.471 32.500 -0.004 0.000 1.090 547 K HN -0.118 nan 8.250 nan 0.000 0.445 548 Y N 1.129 121.353 120.300 -0.127 0.000 2.425 548 Y HA 0.256 4.797 4.550 -0.015 0.000 0.331 548 Y C 1.723 177.571 175.900 -0.085 0.000 1.157 548 Y CA 0.413 58.398 58.100 -0.191 0.000 1.372 548 Y CB 0.986 39.485 38.460 0.064 0.000 1.253 548 Y HN 0.787 nan 8.280 nan 0.000 0.536 549 T N 0.120 114.788 114.554 0.190 0.000 2.910 549 T HA 0.279 4.620 4.350 -0.015 0.000 0.279 549 T C 1.136 175.990 174.700 0.258 0.000 0.989 549 T CA -0.780 61.473 62.100 0.254 0.000 0.968 549 T CB 0.864 69.977 68.868 0.407 0.000 1.135 549 T HN 0.801 nan 8.240 nan 0.000 0.562 550 M N -0.357 119.275 119.600 0.053 0.000 2.374 550 M HA 0.123 4.594 4.480 -0.015 0.000 0.264 550 M C 1.143 177.434 176.300 -0.014 0.000 1.067 550 M CA 1.485 56.732 55.300 -0.090 0.000 1.103 550 M CB -0.833 31.624 32.600 -0.239 0.000 1.402 550 M HN 0.555 nan 8.290 nan 0.000 0.444 551 F N 0.662 120.774 119.950 0.270 0.000 2.259 551 F HA -0.040 4.477 4.527 -0.016 0.000 0.298 551 F C 2.089 177.979 175.800 0.149 0.000 1.088 551 F CA 1.403 59.517 58.000 0.190 0.000 1.358 551 F CB -0.805 38.283 39.000 0.146 0.000 1.040 551 F HN 0.249 nan 8.300 nan 0.000 0.505 552 H N -1.734 117.566 119.070 0.384 0.000 2.299 552 H HA -0.151 4.396 4.556 -0.015 0.000 0.302 552 H C 1.802 177.275 175.328 0.243 0.000 1.078 552 H CA 1.986 58.221 56.048 0.311 0.000 1.323 552 H CB -0.688 29.294 29.762 0.367 0.000 1.381 552 H HN 0.100 nan 8.280 nan 0.000 0.498 553 Y N -0.414 119.976 120.300 0.149 0.000 2.384 553 Y HA -0.137 4.404 4.550 -0.015 0.000 0.289 553 Y C 2.126 178.042 175.900 0.026 0.000 1.152 553 Y CA 0.560 58.626 58.100 -0.057 0.000 1.258 553 Y CB -0.144 38.234 38.460 -0.137 0.000 0.979 553 Y HN 0.190 nan 8.280 nan 0.000 0.549 554 L N -0.625 120.743 121.223 0.241 0.000 2.202 554 L HA -0.001 4.330 4.340 -0.015 0.000 0.205 554 L C 2.385 179.380 176.870 0.208 0.000 1.083 554 L CA 1.311 56.279 54.840 0.213 0.000 0.790 554 L CB -0.597 41.580 42.059 0.197 0.000 0.942 554 L HN -0.045 nan 8.230 nan 0.000 0.452 555 R N 0.153 120.774 120.500 0.202 0.000 2.092 555 R HA 0.007 4.337 4.340 -0.015 0.000 0.231 555 R C 2.115 178.510 176.300 0.158 0.000 1.119 555 R CA 1.453 57.659 56.100 0.175 0.000 0.970 555 R CB -0.688 29.699 30.300 0.146 0.000 0.864 555 R HN 0.329 nan 8.270 nan 0.000 0.440 556 A N 0.298 123.197 122.820 0.133 0.000 2.024 556 A HA -0.184 4.127 4.320 -0.015 0.000 0.220 556 A C 1.817 179.514 177.584 0.188 0.000 1.164 556 A CA 1.499 53.604 52.037 0.112 0.000 0.643 556 A CB -0.423 18.563 19.000 -0.024 0.000 0.806 556 A HN 0.532 nan 8.150 nan 0.000 0.451 557 Q N -0.475 119.462 119.800 0.229 0.000 2.482 557 Q HA 0.066 4.397 4.340 -0.015 0.000 0.209 557 Q C 0.031 176.177 176.000 0.243 0.000 0.961 557 Q CA 0.191 56.149 55.803 0.259 0.000 0.945 557 Q CB 0.204 29.125 28.738 0.305 0.000 1.012 557 Q HN 0.719 nan 8.270 nan 0.000 0.515 558 E N 0.098 120.432 120.200 0.224 0.000 2.232 558 E HA 0.507 4.848 4.350 -0.015 0.000 0.264 558 E C -1.044 175.731 176.600 0.292 0.000 0.973 558 E CA -0.734 55.789 56.400 0.204 0.000 0.849 558 E CB 1.131 30.909 29.700 0.130 0.000 1.198 558 E HN 0.019 nan 8.360 nan 0.000 0.407 559 F N -1.535 118.450 119.950 0.059 0.000 2.654 559 F HA 0.586 5.104 4.527 -0.015 0.000 0.314 559 F C -0.149 175.672 175.800 0.035 0.000 1.116 559 F CA 0.018 58.043 58.000 0.042 0.000 1.017 559 F CB 0.764 39.780 39.000 0.026 0.000 1.285 559 F HN 0.546 nan 8.300 nan 0.000 0.448 560 E N -0.738 119.473 120.200 0.018 0.000 4.307 560 E HA -0.104 4.237 4.350 -0.015 0.000 0.363 560 E C 0.219 176.940 176.600 0.201 0.000 0.671 560 E CA 1.568 58.116 56.400 0.245 0.000 1.488 560 E CB -3.113 nan 29.700 nan 0.000 1.792 560 E HN 2.362 nan 8.360 nan 0.000 0.355 561 H N -0.834 118.265 119.070 0.049 0.000 2.497 561 H HA 0.685 5.231 4.556 -0.015 0.000 0.282 561 H C 2.368 177.727 175.328 0.050 0.000 1.003 561 H CA 2.073 58.051 56.048 -0.116 0.000 1.307 561 H CB 0.666 nan 29.762 nan 0.000 1.437 561 H HN 2.261 nan 8.280 nan 0.000 0.544 562 G N -2.177 106.673 108.800 0.084 0.000 2.525 562 G HA2 0.448 4.399 3.960 -0.015 0.000 0.685 562 G HA3 0.448 4.399 3.960 -0.015 0.000 0.685 562 G C 0.140 175.106 174.900 0.111 0.000 1.290 562 G CA 0.945 46.119 45.100 0.124 0.000 0.915 562 G HN 1.284 nan 8.290 nan 0.000 0.548 563 K N -1.335 119.110 120.400 0.075 0.000 3.399 563 K HA 0.972 5.283 4.320 -0.015 0.000 0.266 563 K C 1.725 178.338 176.600 0.022 0.000 1.604 563 K CA 1.526 57.850 56.287 0.061 0.000 1.249 563 K CB -0.602 nan 32.500 nan 0.000 2.455 563 K HN 2.558 nan 8.250 nan 0.000 0.543 564 S N 0.924 116.625 115.700 0.002 0.000 3.517 564 S HA 0.494 4.954 4.470 -0.015 0.000 0.284 564 S C 1.156 175.616 174.600 -0.233 0.000 1.260 564 S CA 1.525 59.698 58.200 -0.044 0.000 0.975 564 S CB -1.316 nan 63.200 nan 0.000 1.540 564 S HN 1.930 nan 8.310 nan 0.000 0.506 565 R N -0.893 119.306 120.500 -0.501 0.000 3.198 565 R HA -0.088 4.243 4.340 -0.015 0.000 0.451 565 R C 1.801 177.471 176.300 -1.050 0.000 0.521 565 R CA 1.655 56.829 56.100 -1.544 0.000 1.453 565 R CB -2.938 nan 30.300 nan 0.000 2.060 565 R HN 2.191 nan 8.270 nan 0.000 0.347 566 I N -1.474 118.822 120.570 -0.456 0.000 2.702 566 I HA 0.509 4.670 4.170 -0.015 0.000 0.167 566 I C 2.308 178.247 176.117 -0.297 0.000 1.443 566 I CA 2.571 63.710 61.300 -0.269 0.000 0.662 566 I CB -1.371 nan 38.000 nan 0.000 1.865 566 I HN 2.675 nan 8.210 nan 0.000 1.129 567 A N -1.006 121.682 122.820 -0.221 0.000 2.971 567 A HA -0.021 4.290 4.320 -0.015 0.000 0.280 567 A C 0.278 177.771 177.584 -0.151 0.000 1.430 567 A CA 0.672 52.560 52.037 -0.248 0.000 0.749 567 A CB -2.618 16.173 19.000 -0.347 0.000 1.038 567 A HN 1.864 nan 8.150 nan 0.000 0.510 568 L N 1.662 122.825 121.223 -0.101 0.000 2.400 568 L HA 0.127 4.457 4.340 -0.015 0.000 0.262 568 L C 1.413 178.245 176.870 -0.063 0.000 1.309 568 L CA 0.650 55.456 54.840 -0.056 0.000 1.186 568 L CB -0.341 41.699 42.059 -0.032 0.000 1.375 568 L HN 0.683 nan 8.230 nan 0.000 0.433 569 T N 2.441 116.946 114.554 -0.082 0.000 2.946 569 T HA 0.086 4.427 4.350 -0.015 0.000 0.312 569 T C 0.023 174.674 174.700 -0.081 0.000 1.066 569 T CA -0.131 61.912 62.100 -0.095 0.000 1.138 569 T CB 0.243 69.043 68.868 -0.113 0.000 1.014 569 T HN 0.812 nan 8.240 nan 0.000 0.544 570 N N 1.888 120.530 118.700 -0.097 0.000 3.127 570 N HA 0.266 4.997 4.740 -0.015 0.000 0.239 570 N C -1.365 174.073 175.510 -0.120 0.000 1.407 570 N CA -0.745 52.252 53.050 -0.088 0.000 0.891 570 N CB 1.038 39.504 38.487 -0.035 0.000 1.447 570 N HN 0.530 nan 8.380 nan 0.000 0.507 571 S N -0.600 115.038 115.700 -0.104 0.000 2.694 571 S HA 0.669 5.130 4.470 -0.015 0.000 0.278 571 S C -0.369 174.293 174.600 0.104 0.000 1.152 571 S CA -0.241 57.927 58.200 -0.053 0.000 1.010 571 S CB 0.421 63.583 63.200 -0.064 0.000 1.104 571 S HN 1.174 nan 8.310 nan 0.000 0.547 572 V N 1.712 121.739 119.914 0.188 0.000 3.865 572 V HA -0.146 3.965 4.120 -0.015 0.000 0.463 572 V C -0.982 175.087 176.094 -0.042 0.000 0.682 572 V CA -0.191 62.132 62.300 0.038 0.000 1.913 572 V CB -1.938 29.899 31.823 0.024 0.000 2.326 572 V HN 0.939 nan 8.190 nan 0.000 0.496 573 N N 3.739 122.306 118.700 -0.220 0.000 2.414 573 N HA 0.458 5.189 4.740 -0.015 0.000 0.256 573 N C -0.251 175.137 175.510 -0.203 0.000 1.029 573 N CA -0.542 52.366 53.050 -0.236 0.000 0.948 573 N CB 1.456 39.689 38.487 -0.423 0.000 1.102 573 N HN 0.697 nan 8.380 nan 0.000 0.496 574 E N 1.152 121.334 120.200 -0.030 0.000 2.003 574 E HA 0.298 4.638 4.350 -0.015 0.000 0.279 574 E C 0.464 177.071 176.600 0.011 0.000 1.132 574 E CA -0.390 56.025 56.400 0.025 0.000 0.888 574 E CB 0.752 30.492 29.700 0.067 0.000 1.056 574 E HN 0.651 nan 8.360 nan 0.000 0.399 575 A N 3.229 126.054 122.820 0.007 0.000 1.884 575 A HA 0.009 4.320 4.320 -0.015 0.000 0.212 575 A C 1.425 179.040 177.584 0.051 0.000 1.265 575 A CA 0.304 52.363 52.037 0.036 0.000 0.626 575 A CB -0.345 18.693 19.000 0.063 0.000 0.943 575 A HN 0.536 nan 8.150 nan 0.000 0.466 576 L N -1.178 120.082 121.223 0.063 0.000 3.162 576 L HA -0.298 4.033 4.340 -0.015 0.000 0.211 576 L C 1.127 178.040 176.870 0.072 0.000 3.810 576 L CA 2.369 57.258 54.840 0.082 0.000 0.609 576 L CB -1.292 40.831 42.059 0.106 0.000 2.910 576 L HN 0.477 nan 8.230 nan 0.000 0.389 577 L N -0.142 121.119 121.223 0.063 0.000 2.533 577 L HA 0.148 4.479 4.340 -0.015 0.000 0.239 577 L C 0.607 177.502 176.870 0.041 0.000 1.376 577 L CA -0.111 54.760 54.840 0.052 0.000 1.240 577 L CB -0.783 41.306 42.059 0.050 0.000 1.487 577 L HN 0.413 nan 8.230 nan 0.000 0.419 578 N N 0.310 119.035 118.700 0.042 0.000 3.628 578 N HA 0.572 5.303 4.740 -0.015 0.000 0.321 578 N C -2.513 173.021 175.510 0.040 0.000 1.482 578 N CA -0.829 52.240 53.050 0.033 0.000 0.637 578 N CB 0.461 38.961 38.487 0.022 0.000 3.164 578 N HN -0.086 nan 8.380 nan 0.000 0.551 579 P HA 0.405 nan 4.420 nan 0.000 0.285 579 P C -1.021 176.278 177.300 -0.002 0.000 1.285 579 P CA -0.263 62.853 63.100 0.027 0.000 0.854 579 P CB 0.872 32.597 31.700 0.041 0.000 1.180 580 S N 0.763 116.452 115.700 -0.020 0.000 3.530 580 S HA 0.087 4.548 4.470 -0.015 0.000 0.279 580 S C 0.181 174.784 174.600 0.004 0.000 1.280 580 S CA -0.487 57.699 58.200 -0.023 0.000 0.946 580 S CB -1.015 62.146 63.200 -0.064 0.000 1.501 580 S HN 0.256 nan 8.310 nan 0.000 0.498 581 R N 1.357 121.876 120.500 0.032 0.000 3.110 581 R HA 0.060 4.391 4.340 -0.015 0.000 0.347 581 R C -0.312 176.027 176.300 0.065 0.000 0.931 581 R CA 0.007 56.141 56.100 0.057 0.000 1.003 581 R CB -0.513 29.833 30.300 0.077 0.000 0.955 581 R HN 0.198 nan 8.270 nan 0.000 0.405 582 V N 5.231 125.170 119.914 0.041 0.000 2.629 582 V HA 0.147 4.258 4.120 -0.015 0.000 0.263 582 V C -1.338 174.772 176.094 0.027 0.000 0.959 582 V CA -1.055 61.269 62.300 0.039 0.000 0.869 582 V CB 0.489 32.279 31.823 -0.055 0.000 1.060 582 V HN 0.680 nan 8.190 nan 0.000 0.474 583 Y N 4.644 124.914 120.300 -0.049 0.000 2.511 583 Y HA 0.575 5.116 4.550 -0.015 0.000 0.332 583 Y C 0.487 176.315 175.900 -0.120 0.000 1.177 583 Y CA 1.329 59.376 58.100 -0.088 0.000 1.422 583 Y CB 1.391 39.785 38.460 -0.110 0.000 1.271 583 Y HN 0.645 nan 8.280 nan 0.000 0.550 584 T N 6.020 119.987 114.554 -0.979 0.000 2.916 584 T HA 0.484 4.825 4.350 -0.015 0.000 0.292 584 T C -0.643 173.233 174.700 -1.373 0.000 1.064 584 T CA -0.730 60.690 62.100 -1.134 0.000 1.011 584 T CB 0.515 68.793 68.868 -0.985 0.000 1.152 584 T HN 0.555 nan 8.240 nan 0.000 0.510 585 F N 1.493 120.879 119.950 -0.940 0.000 2.850 585 F HA 0.552 5.070 4.527 -0.015 0.000 0.329 585 F C -0.696 175.044 175.800 -0.100 0.000 1.182 585 F CA -1.169 56.579 58.000 -0.421 0.000 1.270 585 F CB -0.497 38.479 39.000 -0.039 0.000 0.979 585 F HN 0.223 nan 8.300 nan 0.000 0.506 586 F N 0.346 120.002 119.950 -0.490 0.000 2.750 586 F HA 0.775 5.292 4.527 -0.015 0.000 0.295 586 F C 0.461 176.161 175.800 -0.166 0.000 1.251 586 F CA -2.417 55.393 58.000 -0.316 0.000 1.043 586 F CB -0.536 38.159 39.000 -0.508 0.000 1.928 586 F HN -0.076 nan 8.300 nan 0.000 0.526 587 S N -1.671 114.122 115.700 0.155 0.000 2.750 587 S HA 0.326 4.787 4.470 -0.015 0.000 0.276 587 S C -0.036 174.635 174.600 0.120 0.000 1.165 587 S CA -0.423 57.846 58.200 0.115 0.000 1.047 587 S CB 1.035 64.302 63.200 0.112 0.000 1.056 587 S HN 0.443 nan 8.310 nan 0.000 0.481 588 S N 2.756 118.499 115.700 0.073 0.000 2.408 588 S HA -0.300 4.161 4.470 -0.015 0.000 0.241 588 S C 1.363 176.012 174.600 0.081 0.000 1.080 588 S CA 2.142 60.379 58.200 0.061 0.000 1.109 588 S CB -0.868 62.356 63.200 0.039 0.000 0.966 588 S HN 0.875 nan 8.310 nan 0.000 0.449 589 D N -0.466 119.983 120.400 0.082 0.000 4.399 589 D HA -0.226 4.405 4.640 -0.015 0.000 0.192 589 D C 1.329 177.698 176.300 0.114 0.000 1.389 589 D CA 2.168 56.222 54.000 0.090 0.000 0.883 589 D CB -0.343 40.516 40.800 0.100 0.000 0.872 589 D HN 0.702 nan 8.370 nan 0.000 0.589 590 Y N -0.307 120.015 120.300 0.037 0.000 2.382 590 Y HA 0.019 4.559 4.550 -0.015 0.000 0.292 590 Y C 2.258 178.158 175.900 -0.000 0.000 1.151 590 Y CA 1.034 59.164 58.100 0.049 0.000 1.198 590 Y CB -0.305 38.261 38.460 0.176 0.000 1.195 590 Y HN -0.100 nan 8.280 nan 0.000 0.530 591 V N 0.933 120.948 119.914 0.169 0.000 2.282 591 V HA -0.333 3.778 4.120 -0.015 0.000 0.249 591 V C 1.930 178.027 176.094 0.005 0.000 1.057 591 V CA 2.627 64.950 62.300 0.038 0.000 1.032 591 V CB -0.506 31.313 31.823 -0.006 0.000 0.645 591 V HN 0.428 nan 8.190 nan 0.000 0.447 592 K N 0.109 120.520 120.400 0.018 0.000 2.025 592 K HA -0.184 4.127 4.320 -0.015 0.000 0.207 592 K C 2.380 178.990 176.600 0.017 0.000 1.049 592 K CA 1.865 58.164 56.287 0.019 0.000 0.933 592 K CB -0.363 32.153 32.500 0.026 0.000 0.714 592 K HN 0.602 nan 8.250 nan 0.000 0.438 593 K N 1.402 121.788 120.400 -0.022 0.000 2.044 593 K HA -0.151 4.159 4.320 -0.015 0.000 0.210 593 K C 1.552 178.168 176.600 0.028 0.000 1.049 593 K CA 1.888 58.158 56.287 -0.027 0.000 0.927 593 K CB 0.019 32.423 32.500 -0.160 0.000 0.713 593 K HN 0.147 nan 8.250 nan 0.000 0.443 594 V N -1.211 118.627 119.914 -0.126 0.000 3.249 594 V HA 0.238 4.349 4.120 -0.015 0.000 0.338 594 V C -0.148 176.000 176.094 0.090 0.000 1.363 594 V CA -0.094 62.165 62.300 -0.068 0.000 1.205 594 V CB -0.048 31.541 31.823 -0.389 0.000 1.164 594 V HN 0.192 nan 8.190 nan 0.000 0.458 595 N N 1.660 120.418 118.700 0.096 0.000 2.187 595 N HA 0.152 4.883 4.740 -0.015 0.000 0.212 595 N C 0.485 176.063 175.510 0.112 0.000 1.152 595 N CA -0.009 53.099 53.050 0.097 0.000 0.872 595 N CB 0.472 38.985 38.487 0.042 0.000 1.025 595 N HN 0.807 nan 8.380 nan 0.000 0.514 596 K N 0.118 120.608 120.400 0.149 0.000 2.118 596 K HA 0.646 4.957 4.320 -0.015 0.000 0.264 596 K C -0.111 176.523 176.600 0.056 0.000 1.000 596 K CA -0.297 56.039 56.287 0.081 0.000 0.929 596 K CB 1.386 33.917 32.500 0.052 0.000 1.021 596 K HN -0.086 nan 8.250 nan 0.000 0.463 597 A N 0.149 122.922 122.820 -0.078 0.000 3.395 597 A HA -0.091 4.220 4.320 -0.015 0.000 0.256 597 A C -0.080 177.372 177.584 -0.219 0.000 1.332 597 A CA 0.703 52.680 52.037 -0.100 0.000 0.769 597 A CB -2.174 16.805 19.000 -0.036 0.000 1.016 597 A HN 1.077 nan 8.150 nan 0.000 0.503 598 T N -0.547 113.782 114.554 -0.374 0.000 3.172 598 T HA 0.624 4.964 4.350 -0.015 0.000 0.320 598 T C -1.170 173.322 174.700 -0.346 0.000 1.085 598 T CA 0.727 62.515 62.100 -0.519 0.000 1.052 598 T CB 1.286 69.459 68.868 -1.159 0.000 1.107 598 T HN 1.878 nan 8.240 nan 0.000 0.458 599 E N 3.370 123.428 120.200 -0.237 0.000 2.439 599 E HA 0.708 5.048 4.350 -0.015 0.000 0.279 599 E C -0.536 175.949 176.600 -0.192 0.000 1.077 599 E CA -0.431 55.850 56.400 -0.199 0.000 0.849 599 E CB 1.140 30.517 29.700 -0.539 0.000 1.408 599 E HN 0.693 nan 8.360 nan 0.000 0.457 600 A N 0.195 122.899 122.820 -0.192 0.000 2.009 600 A HA 0.525 4.836 4.320 -0.015 0.000 0.197 600 A C 1.625 179.200 177.584 -0.015 0.000 1.471 600 A CA 0.867 52.791 52.037 -0.188 0.000 0.973 600 A CB -0.280 18.448 19.000 -0.452 0.000 1.020 600 A HN 0.724 nan 8.150 nan 0.000 0.476 601 A N -1.041 121.754 122.820 -0.042 0.000 2.252 601 A HA 0.307 4.618 4.320 -0.015 0.000 0.207 601 A C 1.322 178.925 177.584 0.031 0.000 1.194 601 A CA 0.698 52.741 52.037 0.009 0.000 0.809 601 A CB -0.448 18.542 19.000 -0.018 0.000 0.814 601 A HN 0.339 nan 8.150 nan 0.000 0.482 602 M N -1.169 118.445 119.600 0.023 0.000 2.778 602 M HA 0.223 4.694 4.480 -0.015 0.000 0.359 602 M C 0.647 176.995 176.300 0.080 0.000 1.216 602 M CA -0.100 55.214 55.300 0.025 0.000 0.935 602 M CB -0.165 32.407 32.600 -0.046 0.000 1.330 602 M HN 0.510 nan 8.290 nan 0.000 0.516 603 F N 1.103 121.060 119.950 0.012 0.000 2.113 603 F HA -0.200 4.318 4.527 -0.015 0.000 0.297 603 F C 1.594 177.507 175.800 0.188 0.000 1.103 603 F CA 1.691 59.746 58.000 0.091 0.000 1.248 603 F CB 0.236 39.310 39.000 0.123 0.000 0.999 603 F HN 0.288 nan 8.300 nan 0.000 0.475 604 L N -1.120 120.188 121.223 0.143 0.000 2.609 604 L HA 0.513 4.844 4.340 -0.015 0.000 0.230 604 L C 0.660 177.564 176.870 0.057 0.000 1.064 604 L CA 1.238 56.174 54.840 0.160 0.000 0.873 604 L CB 0.404 42.593 42.059 0.216 0.000 1.139 604 L HN 0.292 nan 8.230 nan 0.000 0.490 605 G N -2.561 106.265 108.800 0.044 0.000 2.316 605 G HA2 -0.161 3.790 3.960 -0.015 0.000 0.349 605 G HA3 -0.161 3.790 3.960 -0.015 0.000 0.349 605 G C -0.051 174.892 174.900 0.072 0.000 1.274 605 G CA -0.124 45.020 45.100 0.073 0.000 1.018 605 G HN 0.181 nan 8.290 nan 0.000 0.486 606 W N -0.886 120.332 121.300 -0.137 0.000 1.892 606 W HA -0.347 4.304 4.660 -0.015 0.000 0.347 606 W C 2.450 178.819 176.519 -0.250 0.000 1.723 606 W CA 4.544 61.767 57.345 -0.203 0.000 2.007 606 W CB -1.414 27.889 29.460 -0.261 0.000 0.935 606 W HN 0.726 nan 8.180 nan 0.000 0.465 607 V N -0.421 119.388 119.914 -0.176 0.000 2.221 607 V HA -0.331 3.780 4.120 -0.015 0.000 0.240 607 V C 2.256 178.268 176.094 -0.137 0.000 1.041 607 V CA 2.672 64.802 62.300 -0.284 0.000 0.991 607 V CB -1.195 30.441 31.823 -0.311 0.000 0.634 607 V HN 0.418 nan 8.190 nan 0.000 0.450 608 E N -0.182 119.990 120.200 -0.047 0.000 2.246 608 E HA -0.427 3.914 4.350 -0.015 0.000 0.232 608 E C 2.093 178.694 176.600 0.001 0.000 1.087 608 E CA 2.810 59.211 56.400 0.002 0.000 0.964 608 E CB -0.314 29.395 29.700 0.015 0.000 0.827 608 E HN 0.719 nan 8.360 nan 0.000 0.476 609 Q N -0.425 119.352 119.800 -0.039 0.000 2.230 609 Q HA -0.047 4.284 4.340 -0.015 0.000 0.202 609 Q C 2.432 178.416 176.000 -0.027 0.000 0.963 609 Q CA 1.064 56.847 55.803 -0.033 0.000 0.866 609 Q CB 0.091 28.794 28.738 -0.058 0.000 0.931 609 Q HN 0.432 nan 8.270 nan 0.000 0.452 610 L N -0.686 120.450 121.223 -0.145 0.000 2.209 610 L HA -0.077 4.254 4.340 -0.015 0.000 0.207 610 L C 2.201 179.071 176.870 -0.001 0.000 1.094 610 L CA 0.196 54.940 54.840 -0.160 0.000 0.790 610 L CB -0.152 41.656 42.059 -0.418 0.000 0.932 610 L HN 0.033 nan 8.230 nan 0.000 0.447 611 V N -0.666 119.241 119.914 -0.012 0.000 2.546 611 V HA -0.350 3.761 4.120 -0.015 0.000 0.254 611 V C 2.156 178.320 176.094 0.117 0.000 1.076 611 V CA 1.937 64.265 62.300 0.047 0.000 1.087 611 V CB -0.413 31.433 31.823 0.039 0.000 0.674 611 V HN 0.425 nan 8.190 nan 0.000 0.470 612 Y N 0.758 121.070 120.300 0.020 0.000 2.153 612 Y HA -0.146 4.395 4.550 -0.015 0.000 0.289 612 Y C 2.351 178.275 175.900 0.041 0.000 1.119 612 Y CA 2.058 60.172 58.100 0.023 0.000 1.116 612 Y CB -0.236 38.225 38.460 0.001 0.000 1.004 612 Y HN 0.314 nan 8.280 nan 0.000 0.501 613 D N -0.138 120.414 120.400 0.255 0.000 2.106 613 D HA -0.237 4.394 4.640 -0.015 0.000 0.191 613 D C 1.974 178.300 176.300 0.043 0.000 0.997 613 D CA 1.632 55.754 54.000 0.204 0.000 0.834 613 D CB -0.713 40.301 40.800 0.358 0.000 0.956 613 D HN 0.287 nan 8.370 nan 0.000 0.448 614 F N 1.304 121.240 119.950 -0.024 0.000 2.043 614 F HA -0.280 4.238 4.527 -0.015 0.000 0.297 614 F C 2.405 178.049 175.800 -0.261 0.000 1.118 614 F CA 1.837 59.724 58.000 -0.188 0.000 1.202 614 F CB -0.788 38.183 39.000 -0.047 0.000 0.965 614 F HN -0.052 nan 8.300 nan 0.000 0.482 615 T N -0.935 113.589 114.554 -0.049 0.000 3.051 615 T HA -0.163 4.178 4.350 -0.015 0.000 0.269 615 T C 1.649 176.184 174.700 -0.275 0.000 1.127 615 T CA 1.252 63.249 62.100 -0.172 0.000 1.107 615 T CB -0.290 68.497 68.868 -0.135 0.000 0.898 615 T HN 0.412 nan 8.240 nan 0.000 0.517 616 D N 0.633 120.845 120.400 -0.312 0.000 2.277 616 D HA -0.028 4.603 4.640 -0.015 0.000 0.209 616 D C 1.873 177.994 176.300 -0.298 0.000 0.970 616 D CA 0.499 54.339 54.000 -0.267 0.000 0.874 616 D CB 0.328 41.011 40.800 -0.196 0.000 0.982 616 D HN 0.231 nan 8.370 nan 0.000 0.504 617 E N -0.052 119.854 120.200 -0.489 0.000 2.285 617 E HA -0.069 4.272 4.350 -0.015 0.000 0.194 617 E C 1.941 178.072 176.600 -0.782 0.000 0.997 617 E CA 0.943 56.866 56.400 -0.795 0.000 0.845 617 E CB 0.403 29.155 29.700 -1.580 0.000 0.782 617 E HN 0.426 nan 8.360 nan 0.000 0.491 618 T N -3.305 110.878 114.554 -0.618 0.000 2.999 618 T HA 0.119 4.460 4.350 -0.015 0.000 0.247 618 T C 1.941 176.593 174.700 -0.080 0.000 1.012 618 T CA 0.188 62.031 62.100 -0.428 0.000 1.048 618 T CB 0.056 68.569 68.868 -0.592 0.000 1.020 618 T HN -0.137 nan 8.240 nan 0.000 0.478 619 S N 1.234 116.860 115.700 -0.123 0.000 2.562 619 S HA 0.147 4.608 4.470 -0.015 0.000 0.221 619 S C 0.689 175.275 174.600 -0.023 0.000 0.975 619 S CA -0.179 57.989 58.200 -0.053 0.000 0.918 619 S CB -0.368 62.783 63.200 -0.081 0.000 0.772 619 S HN 0.619 nan 8.310 nan 0.000 0.531 620 E N 2.589 122.782 120.200 -0.011 0.000 2.694 620 E HA 0.048 4.389 4.350 -0.015 0.000 0.250 620 E C 0.152 176.756 176.600 0.008 0.000 0.963 620 E CA -0.017 56.389 56.400 0.010 0.000 0.949 620 E CB 0.404 30.128 29.700 0.040 0.000 0.911 620 E HN 0.245 nan 8.360 nan 0.000 0.500 621 V N 0.964 120.862 119.914 -0.026 0.000 3.417 621 V HA 0.808 4.919 4.120 -0.015 0.000 0.297 621 V C -0.111 175.954 176.094 -0.048 0.000 1.271 621 V CA -0.536 61.730 62.300 -0.056 0.000 1.012 621 V CB 1.611 33.408 31.823 -0.044 0.000 1.241 621 V HN 0.566 nan 8.190 nan 0.000 0.477 628 A N 3.786 126.586 122.820 -0.033 0.000 2.603 628 A HA 0.340 4.650 4.320 -0.015 0.000 0.277 628 A C 0.637 178.174 177.584 -0.078 0.000 1.158 628 A CA 0.345 52.346 52.037 -0.059 0.000 0.962 628 A CB -0.097 18.850 19.000 -0.088 0.000 1.189 628 A HN 0.706 nan 8.150 nan 0.000 0.552 629 D N -0.380 120.003 120.400 -0.027 0.000 2.766 629 D HA 0.123 4.754 4.640 -0.015 0.000 0.284 629 D C 0.423 176.802 176.300 0.131 0.000 1.050 629 D CA 0.291 54.297 54.000 0.011 0.000 0.945 629 D CB -0.276 40.586 40.800 0.103 0.000 1.272 629 D HN 0.336 nan 8.370 nan 0.000 0.482 630 I N 2.191 122.837 120.570 0.127 0.000 2.276 630 I HA 0.141 4.301 4.170 -0.015 0.000 0.290 630 I C 0.904 177.101 176.117 0.134 0.000 1.109 630 I CA -0.160 61.237 61.300 0.162 0.000 1.229 630 I CB 1.153 39.274 38.000 0.201 0.000 1.452 630 I HN -0.139 nan 8.210 nan 0.000 0.497 631 T N 5.529 120.149 114.554 0.111 0.000 2.668 631 T HA 0.037 4.377 4.350 -0.015 0.000 0.262 631 T C 0.995 175.742 174.700 0.079 0.000 1.045 631 T CA 1.002 63.145 62.100 0.070 0.000 1.152 631 T CB 0.074 68.972 68.868 0.051 0.000 0.864 631 T HN 0.199 nan 8.240 nan 0.000 0.419 632 I N 2.215 122.858 120.570 0.123 0.000 2.304 632 I HA 0.388 4.548 4.170 -0.015 0.000 0.291 632 I C -0.197 175.962 176.117 0.070 0.000 1.018 632 I CA -1.066 60.284 61.300 0.082 0.000 1.260 632 I CB 0.365 38.418 38.000 0.089 0.000 1.390 632 I HN 0.210 nan 8.210 nan 0.000 0.475 633 I N 6.456 126.962 120.570 -0.107 0.000 2.433 633 I HA 0.404 4.565 4.170 -0.015 0.000 0.292 633 I C -0.333 175.520 176.117 -0.440 0.000 1.001 633 I CA -0.786 60.268 61.300 -0.410 0.000 1.119 633 I CB 2.181 40.050 38.000 -0.219 0.000 1.289 633 I HN 0.211 nan 8.210 nan 0.000 0.438 634 I N 7.707 127.842 120.570 -0.725 0.000 2.307 634 I HA 0.286 4.447 4.170 -0.015 0.000 0.289 634 I C -1.886 173.956 176.117 -0.459 0.000 1.021 634 I CA -2.539 58.419 61.300 -0.570 0.000 1.224 634 I CB 0.777 38.340 38.000 -0.729 0.000 1.376 634 I HN 0.334 nan 8.210 nan 0.000 0.470 635 P HA 0.005 nan 4.420 nan 0.000 0.249 635 P C 0.791 178.074 177.300 -0.029 0.000 1.229 635 P CA 0.619 63.735 63.100 0.028 0.000 0.788 635 P CB -0.144 31.603 31.700 0.078 0.000 1.072 636 Y N -2.927 117.303 120.300 -0.117 0.000 2.457 636 Y HA 0.384 4.925 4.550 -0.015 0.000 0.263 636 Y C 1.737 177.397 175.900 -0.401 0.000 1.164 636 Y CA -0.664 57.350 58.100 -0.143 0.000 1.274 636 Y CB -1.505 36.991 38.460 0.061 0.000 1.097 636 Y HN -0.268 nan 8.280 nan 0.000 0.523 637 I N 1.531 121.688 120.570 -0.688 0.000 2.264 637 I HA -0.224 3.936 4.170 -0.015 0.000 0.248 637 I C 2.679 178.350 176.117 -0.742 0.000 1.111 637 I CA 1.732 62.605 61.300 -0.712 0.000 1.382 637 I CB -0.677 36.849 38.000 -0.790 0.000 1.060 637 I HN 0.497 nan 8.210 nan 0.000 0.418 638 G N 1.331 109.531 108.800 -1.000 0.000 2.604 638 G HA2 -0.206 3.745 3.960 -0.015 0.000 0.216 638 G HA3 -0.206 3.745 3.960 -0.015 0.000 0.216 638 G C -0.561 174.219 174.900 -0.200 0.000 1.265 638 G CA 0.937 45.722 45.100 -0.525 0.000 0.804 638 G HN 0.254 nan 8.290 nan 0.000 0.579 639 P HA -0.168 nan 4.420 nan 0.000 0.216 639 P C 2.195 179.629 177.300 0.224 0.000 1.157 639 P CA 2.412 65.616 63.100 0.173 0.000 0.880 639 P CB -0.245 31.617 31.700 0.269 0.000 0.791 640 A N -1.319 121.439 122.820 -0.104 0.000 1.902 640 A HA -0.134 4.177 4.320 -0.015 0.000 0.217 640 A C 2.090 179.683 177.584 0.015 0.000 1.181 640 A CA 1.672 53.572 52.037 -0.228 0.000 0.623 640 A CB -1.348 17.139 19.000 -0.856 0.000 0.818 640 A HN 0.181 nan 8.150 nan 0.000 0.443 641 L N -1.603 119.549 121.223 -0.119 0.000 2.701 641 L HA 0.187 4.518 4.340 -0.015 0.000 0.238 641 L C 0.539 177.218 176.870 -0.319 0.000 1.106 641 L CA 0.247 55.000 54.840 -0.146 0.000 0.898 641 L CB 0.009 41.970 42.059 -0.162 0.000 1.188 641 L HN 0.657 nan 8.230 nan 0.000 0.508 642 N N 2.180 120.656 118.700 -0.372 0.000 2.663 642 N HA -0.177 4.553 4.740 -0.015 0.000 0.263 642 N C -0.661 174.672 175.510 -0.294 0.000 1.109 642 N CA -0.044 52.698 53.050 -0.513 0.000 0.701 642 N CB -0.491 37.189 38.487 -1.345 0.000 0.879 642 N HN 0.212 nan 8.380 nan 0.000 0.550 643 I N 0.680 121.160 120.570 -0.150 0.000 2.331 643 I HA 0.438 4.599 4.170 -0.015 0.000 0.292 643 I C 1.284 177.413 176.117 0.020 0.000 0.998 643 I CA -0.062 61.202 61.300 -0.060 0.000 1.267 643 I CB 1.580 39.576 38.000 -0.007 0.000 1.386 643 I HN 0.536 nan 8.210 nan 0.000 0.476 644 G N 3.161 111.952 108.800 -0.015 0.000 4.377 644 G HA2 0.372 4.323 3.960 -0.015 0.000 0.251 644 G HA3 0.372 4.323 3.960 -0.015 0.000 0.251 644 G C 0.105 174.960 174.900 -0.074 0.000 2.912 644 G CA 0.190 45.248 45.100 -0.071 0.000 0.606 644 G HN 0.949 nan 8.290 nan 0.000 0.282 645 N N -2.346 116.329 118.700 -0.041 0.000 3.049 645 N HA 0.092 4.823 4.740 -0.015 0.000 0.226 645 N C 1.531 177.032 175.510 -0.015 0.000 0.952 645 N CA 1.697 54.734 53.050 -0.022 0.000 0.986 645 N CB -1.888 nan 38.487 nan 0.000 1.073 645 N HN 1.963 nan 8.380 nan 0.000 0.553 646 M N -0.181 119.398 119.600 -0.036 0.000 2.530 646 M HA 0.882 5.353 4.480 -0.015 0.000 0.231 646 M C 1.578 177.853 176.300 -0.041 0.000 1.180 646 M CA 0.869 56.132 55.300 -0.062 0.000 0.985 646 M CB -1.396 nan 32.600 nan 0.000 1.623 646 M HN 2.073 nan 8.290 nan 0.000 0.475 647 L N -0.653 120.563 121.223 -0.012 0.000 2.456 647 L HA 0.708 5.039 4.340 -0.015 0.000 0.272 647 L C 0.206 177.083 176.870 0.012 0.000 1.189 647 L CA 0.133 54.976 54.840 0.005 0.000 0.846 647 L CB -1.898 40.166 42.059 0.008 0.000 1.111 647 L HN 1.292 nan 8.230 nan 0.000 0.475 648 Y N 0.720 121.035 120.300 0.024 0.000 3.048 648 Y HA 0.944 5.485 4.550 -0.015 0.000 0.305 648 Y C 0.423 176.344 175.900 0.036 0.000 1.538 648 Y CA 0.014 58.136 58.100 0.037 0.000 1.082 648 Y CB 0.157 nan 38.460 nan 0.000 1.388 648 Y HN 1.324 nan 8.280 nan 0.000 0.557 649 K N -0.246 120.182 120.400 0.047 0.000 2.401 649 K HA 0.596 4.907 4.320 -0.015 0.000 0.255 649 K C 0.219 176.868 176.600 0.081 0.000 1.062 649 K CA 0.168 56.497 56.287 0.069 0.000 0.999 649 K CB -0.597 nan 32.500 nan 0.000 1.415 649 K HN 1.879 nan 8.250 nan 0.000 0.576 650 D N 2.292 122.753 120.400 0.103 0.000 2.600 650 D HA 0.315 4.946 4.640 -0.015 0.000 0.226 650 D C -0.242 176.132 176.300 0.123 0.000 1.119 650 D CA 0.154 54.232 54.000 0.130 0.000 1.051 650 D CB -0.819 nan 40.800 nan 0.000 1.106 650 D HN 0.499 nan 8.370 nan 0.000 0.491 651 D N -0.585 119.877 120.400 0.104 0.000 2.772 651 D HA 0.086 4.717 4.640 -0.015 0.000 0.273 651 D C 0.789 177.155 176.300 0.109 0.000 1.233 651 D CA -1.250 52.806 54.000 0.094 0.000 0.984 651 D CB -0.300 40.530 40.800 0.049 0.000 1.000 651 D HN 0.385 nan 8.370 nan 0.000 0.514 652 F N 1.165 121.118 119.950 0.004 0.000 2.192 652 F HA -0.234 4.284 4.527 -0.016 0.000 0.301 652 F C 1.317 177.118 175.800 0.001 0.000 1.079 652 F CA 1.173 59.171 58.000 -0.004 0.000 1.303 652 F CB 0.066 39.054 39.000 -0.020 0.000 1.024 652 F HN 0.069 nan 8.300 nan 0.000 0.494 653 V N 1.022 120.851 119.914 -0.142 0.000 2.343 653 V HA -0.261 3.850 4.120 -0.015 0.000 0.247 653 V C 2.851 178.847 176.094 -0.163 0.000 1.051 653 V CA 1.965 64.129 62.300 -0.227 0.000 1.036 653 V CB -1.698 30.085 31.823 -0.067 0.000 0.654 653 V HN 0.579 nan 8.190 nan 0.000 0.451 654 G N -0.212 108.543 108.800 -0.075 0.000 2.491 654 G HA2 -0.277 3.674 3.960 -0.015 0.000 0.218 654 G HA3 -0.277 3.674 3.960 -0.015 0.000 0.218 654 G C 1.716 176.599 174.900 -0.028 0.000 1.180 654 G CA 1.162 46.244 45.100 -0.030 0.000 0.774 654 G HN 0.640 nan 8.290 nan 0.000 0.562 655 A N -0.161 122.610 122.820 -0.081 0.000 2.014 655 A HA 0.238 4.549 4.320 -0.015 0.000 0.218 655 A C 2.325 179.878 177.584 -0.051 0.000 1.163 655 A CA 1.434 53.440 52.037 -0.052 0.000 0.652 655 A CB -0.244 18.722 19.000 -0.057 0.000 0.808 655 A HN 0.424 nan 8.150 nan 0.000 0.449 656 L N -0.538 120.556 121.223 -0.215 0.000 2.095 656 L HA 0.028 4.359 4.340 -0.015 0.000 0.204 656 L C 2.160 178.999 176.870 -0.052 0.000 1.080 656 L CA 1.411 56.123 54.840 -0.214 0.000 0.759 656 L CB -0.237 41.553 42.059 -0.448 0.000 0.914 656 L HN 0.374 nan 8.230 nan 0.000 0.439 657 I N -1.257 119.294 120.570 -0.031 0.000 2.252 657 I HA -0.293 3.868 4.170 -0.015 0.000 0.245 657 I C 2.228 178.380 176.117 0.058 0.000 1.102 657 I CA 1.469 62.780 61.300 0.018 0.000 1.385 657 I CB -0.387 37.626 38.000 0.023 0.000 1.064 657 I HN 0.226 nan 8.210 nan 0.000 0.414 658 F N 0.790 120.712 119.950 -0.046 0.000 2.216 658 F HA -0.241 4.277 4.527 -0.015 0.000 0.300 658 F C 2.250 178.037 175.800 -0.022 0.000 1.085 658 F CA 1.760 59.739 58.000 -0.034 0.000 1.326 658 F CB 0.136 39.111 39.000 -0.040 0.000 1.027 658 F HN -0.053 nan 8.300 nan 0.000 0.497 659 S N -1.068 114.723 115.700 0.151 0.000 2.593 659 S HA 0.453 4.914 4.470 -0.015 0.000 0.235 659 S C 0.532 175.175 174.600 0.071 0.000 1.059 659 S CA 0.188 58.454 58.200 0.110 0.000 0.953 659 S CB 0.505 63.814 63.200 0.182 0.000 0.897 659 S HN 0.728 nan 8.310 nan 0.000 0.507 660 G N 1.500 110.337 108.800 0.061 0.000 2.660 660 G HA2 0.028 3.979 3.960 -0.015 0.000 0.215 660 G HA3 0.028 3.979 3.960 -0.015 0.000 0.215 660 G C 0.687 175.642 174.900 0.091 0.000 1.345 660 G CA -0.262 44.885 45.100 0.079 0.000 0.877 660 G HN 0.683 nan 8.290 nan 0.000 0.549 661 A N -1.036 121.859 122.820 0.124 0.000 2.076 661 A HA 0.183 4.494 4.320 -0.015 0.000 0.220 661 A C 2.736 180.332 177.584 0.019 0.000 1.160 661 A CA 3.027 55.111 52.037 0.078 0.000 0.653 661 A CB -0.544 18.515 19.000 0.098 0.000 0.801 661 A HN 2.151 nan 8.150 nan 0.000 0.455 662 V N 1.259 121.225 119.914 0.087 0.000 2.546 662 V HA -0.275 3.836 4.120 -0.015 0.000 0.254 662 V C 2.202 178.271 176.094 -0.041 0.000 1.076 662 V CA 2.212 64.513 62.300 0.003 0.000 1.087 662 V CB -0.651 31.252 31.823 0.132 0.000 0.674 662 V HN 0.709 nan 8.190 nan 0.000 0.470 663 I N -2.688 117.886 120.570 0.006 0.000 2.676 663 I HA -0.140 4.020 4.170 -0.015 0.000 0.259 663 I C 2.138 178.250 176.117 -0.008 0.000 1.194 663 I CA 1.511 62.816 61.300 0.009 0.000 1.473 663 I CB -0.526 37.502 38.000 0.048 0.000 1.096 663 I HN 0.239 nan 8.210 nan 0.000 0.443 664 L N 1.264 122.479 121.223 -0.013 0.000 2.093 664 L HA 0.031 4.362 4.340 -0.015 0.000 0.208 664 L C 1.255 178.016 176.870 -0.182 0.000 1.085 664 L CA 0.654 55.467 54.840 -0.044 0.000 0.755 664 L CB -0.439 41.599 42.059 -0.033 0.000 0.904 664 L HN 0.228 nan 8.230 nan 0.000 0.435 665 L N 0.255 121.315 121.223 -0.271 0.000 2.426 665 L HA -0.013 4.318 4.340 -0.015 0.000 0.271 665 L C 1.294 177.864 176.870 -0.499 0.000 1.169 665 L CA -0.117 54.455 54.840 -0.447 0.000 0.836 665 L CB 0.637 42.384 42.059 -0.520 0.000 1.112 665 L HN -0.023 nan 8.230 nan 0.000 0.465 666 E N 1.925 121.663 120.200 -0.770 0.000 2.250 666 E HA 0.039 4.380 4.350 -0.015 0.000 0.192 666 E C -0.597 175.577 176.600 -0.711 0.000 0.986 666 E CA 0.575 56.445 56.400 -0.883 0.000 0.849 666 E CB 0.313 29.136 29.700 -1.461 0.000 0.797 666 E HN 0.417 nan 8.360 nan 0.000 0.482 667 F N -1.548 118.104 119.950 -0.497 0.000 2.588 667 F HA 0.565 5.082 4.527 -0.016 0.000 0.310 667 F C -0.729 174.959 175.800 -0.188 0.000 1.082 667 F CA -1.540 56.290 58.000 -0.284 0.000 0.929 667 F CB 0.886 39.787 39.000 -0.165 0.000 1.254 667 F HN -0.351 nan 8.300 nan 0.000 0.455 668 I N 4.664 125.281 120.570 0.077 0.000 2.304 668 I HA 0.314 4.475 4.170 -0.015 0.000 0.291 668 I C -1.944 174.251 176.117 0.130 0.000 1.018 668 I CA -1.865 59.456 61.300 0.034 0.000 1.260 668 I CB 1.183 39.205 38.000 0.036 0.000 1.390 668 I HN 0.464 nan 8.210 nan 0.000 0.475 669 P HA 0.078 nan 4.420 nan 0.000 0.272 669 P C -0.816 176.522 177.300 0.063 0.000 1.223 669 P CA -0.353 62.828 63.100 0.136 0.000 0.784 669 P CB 0.631 32.403 31.700 0.121 0.000 0.923 670 E N 1.423 121.632 120.200 0.015 0.000 2.249 670 E HA 0.402 4.743 4.350 -0.015 0.000 0.280 670 E C -0.926 175.625 176.600 -0.082 0.000 1.016 670 E CA -0.871 55.504 56.400 -0.042 0.000 0.830 670 E CB 0.418 30.097 29.700 -0.036 0.000 1.081 670 E HN 0.216 nan 8.360 nan 0.000 0.395 671 I N 2.916 123.385 120.570 -0.169 0.000 2.310 671 I HA 0.316 4.477 4.170 -0.015 0.000 0.287 671 I C -0.217 175.793 176.117 -0.179 0.000 1.073 671 I CA -0.453 60.729 61.300 -0.196 0.000 1.216 671 I CB 1.462 39.268 38.000 -0.324 0.000 1.415 671 I HN 0.607 nan 8.210 nan 0.000 0.480 672 A N 7.602 130.392 122.820 -0.051 0.000 2.969 672 A HA 0.618 4.929 4.320 -0.015 0.000 0.328 672 A C -0.180 177.416 177.584 0.020 0.000 1.355 672 A CA -0.397 51.628 52.037 -0.021 0.000 1.018 672 A CB -0.287 18.724 19.000 0.017 0.000 1.159 672 A HN 0.483 nan 8.150 nan 0.000 0.505 673 I N 3.694 124.256 120.570 -0.013 0.000 2.297 673 I HA 0.286 4.447 4.170 -0.015 0.000 0.291 673 I C -1.994 174.091 176.117 -0.053 0.000 1.033 673 I CA -2.500 58.784 61.300 -0.026 0.000 1.253 673 I CB 0.531 38.515 38.000 -0.025 0.000 1.396 673 I HN 0.360 nan 8.210 nan 0.000 0.476 674 P HA 0.155 nan 4.420 nan 0.000 0.276 674 P C -0.199 177.058 177.300 -0.072 0.000 1.252 674 P CA -0.413 62.647 63.100 -0.066 0.000 0.802 674 P CB 1.066 32.722 31.700 -0.074 0.000 1.035 675 V N 2.381 122.266 119.914 -0.048 0.000 2.506 675 V HA -0.133 3.977 4.120 -0.015 0.000 0.296 675 V C 1.092 177.158 176.094 -0.046 0.000 1.004 675 V CA 0.579 62.855 62.300 -0.040 0.000 1.150 675 V CB -1.024 30.787 31.823 -0.020 0.000 0.911 675 V HN 0.301 nan 8.190 nan 0.000 0.476 676 L N 4.874 126.064 121.223 -0.054 0.000 2.453 676 L HA 0.296 4.627 4.340 -0.015 0.000 0.272 676 L C 1.341 178.231 176.870 0.034 0.000 1.182 676 L CA 0.132 54.936 54.840 -0.060 0.000 0.858 676 L CB 0.152 42.130 42.059 -0.134 0.000 1.120 676 L HN 0.780 nan 8.230 nan 0.000 0.474 677 G N 1.709 110.527 108.800 0.031 0.000 2.305 677 G HA2 0.230 4.181 3.960 -0.015 0.000 0.243 677 G HA3 0.230 4.181 3.960 -0.015 0.000 0.243 677 G C 0.394 175.430 174.900 0.228 0.000 1.288 677 G CA -0.294 44.867 45.100 0.102 0.000 0.901 677 G HN 0.701 nan 8.290 nan 0.000 0.516 678 T N -0.298 114.365 114.554 0.181 0.000 2.847 678 T HA 0.619 4.960 4.350 -0.015 0.000 0.279 678 T C -0.209 174.681 174.700 0.316 0.000 0.984 678 T CA -0.742 61.434 62.100 0.128 0.000 0.988 678 T CB 1.072 69.929 68.868 -0.019 0.000 1.040 678 T HN 0.154 nan 8.240 nan 0.000 0.528 679 F N 0.711 120.675 119.950 0.024 0.000 2.399 679 F HA 0.667 5.185 4.527 -0.016 0.000 0.334 679 F C 0.657 176.435 175.800 -0.035 0.000 1.097 679 F CA -2.057 55.954 58.000 0.018 0.000 1.076 679 F CB 0.824 39.833 39.000 0.015 0.000 1.162 679 F HN 0.918 nan 8.300 nan 0.000 0.495 680 A N 4.707 127.623 122.820 0.159 0.000 2.342 680 A HA 0.820 5.131 4.320 -0.015 0.000 0.323 680 A C -0.979 176.607 177.584 0.004 0.000 1.125 680 A CA -0.658 51.416 52.037 0.063 0.000 0.785 680 A CB 0.825 19.854 19.000 0.048 0.000 1.221 680 A HN 0.717 nan 8.150 nan 0.000 0.463 681 L N 2.074 123.275 121.223 -0.038 0.000 2.334 681 L HA 0.594 4.924 4.340 -0.015 0.000 0.275 681 L C -0.375 176.493 176.870 -0.003 0.000 1.036 681 L CA -1.113 53.653 54.840 -0.125 0.000 0.807 681 L CB 1.560 43.333 42.059 -0.476 0.000 1.231 681 L HN 0.362 nan 8.230 nan 0.000 0.438 682 V N 1.399 121.322 119.914 0.015 0.000 2.465 682 V HA 0.236 4.346 4.120 -0.015 0.000 0.279 682 V C 0.344 176.464 176.094 0.043 0.000 1.045 682 V CA -0.191 62.088 62.300 -0.035 0.000 0.938 682 V CB 1.527 33.250 31.823 -0.166 0.000 0.986 682 V HN 0.843 nan 8.190 nan 0.000 0.467 683 S N 3.865 119.557 115.700 -0.012 0.000 2.586 683 S HA 0.546 5.007 4.470 -0.015 0.000 0.274 683 S C -0.779 173.639 174.600 -0.304 0.000 1.281 683 S CA -0.235 57.961 58.200 -0.007 0.000 1.035 683 S CB 0.556 63.724 63.200 -0.055 0.000 0.962 683 S HN 0.590 nan 8.310 nan 0.000 0.512 684 Y N 1.209 121.533 120.300 0.040 0.000 2.658 684 Y HA 0.380 4.922 4.550 -0.014 0.000 0.362 684 Y C -0.218 175.675 175.900 -0.012 0.000 1.017 684 Y CA -0.784 57.331 58.100 0.025 0.000 1.134 684 Y CB -0.226 38.262 38.460 0.047 0.000 1.144 684 Y HN 0.449 nan 8.280 nan 0.000 0.655 685 I N 1.994 122.588 120.570 0.040 0.000 2.919 685 I HA -0.040 4.121 4.170 -0.015 0.000 0.303 685 I C 1.200 177.332 176.117 0.026 0.000 1.221 685 I CA 1.090 62.393 61.300 0.006 0.000 1.444 685 I CB 0.267 38.257 38.000 -0.017 0.000 1.331 685 I HN 0.752 nan 8.210 nan 0.000 0.572 686 A N 4.195 127.017 122.820 0.004 0.000 2.887 686 A HA -0.242 4.069 4.320 -0.015 0.000 0.257 686 A C 0.566 178.162 177.584 0.020 0.000 1.372 686 A CA 0.943 52.983 52.037 0.005 0.000 0.879 686 A CB -2.170 16.833 19.000 0.005 0.000 1.082 686 A HN 0.743 nan 8.150 nan 0.000 0.703 687 N N -0.443 118.280 118.700 0.038 0.000 2.682 687 N HA 0.280 5.011 4.740 -0.015 0.000 0.252 687 N C 0.635 176.164 175.510 0.031 0.000 1.081 687 N CA 0.111 53.187 53.050 0.042 0.000 0.844 687 N CB 1.055 39.589 38.487 0.077 0.000 1.167 687 N HN 0.476 nan 8.380 nan 0.000 0.523 688 K N 1.502 121.910 120.400 0.013 0.000 2.020 688 K HA -0.125 4.186 4.320 -0.015 0.000 0.212 688 K C 1.212 177.818 176.600 0.011 0.000 1.050 688 K CA 1.712 58.006 56.287 0.011 0.000 0.929 688 K CB 0.217 32.720 32.500 0.005 0.000 0.714 688 K HN 0.269 nan 8.250 nan 0.000 0.443 689 V N 1.094 121.004 119.914 -0.006 0.000 2.270 689 V HA -0.241 3.870 4.120 -0.015 0.000 0.245 689 V C 2.271 178.336 176.094 -0.048 0.000 1.043 689 V CA 1.537 63.824 62.300 -0.022 0.000 1.014 689 V CB -0.398 31.406 31.823 -0.032 0.000 0.645 689 V HN 0.247 nan 8.190 nan 0.000 0.447 690 L N -0.376 120.785 121.223 -0.103 0.000 2.141 690 L HA -0.128 4.203 4.340 -0.015 0.000 0.209 690 L C 2.570 179.392 176.870 -0.080 0.000 1.094 690 L CA 2.017 56.701 54.840 -0.260 0.000 0.763 690 L CB -1.117 40.576 42.059 -0.611 0.000 0.908 690 L HN 0.277 nan 8.230 nan 0.000 0.437 691 T N -0.967 113.637 114.554 0.084 0.000 2.777 691 T HA -0.147 4.194 4.350 -0.015 0.000 0.266 691 T C 1.951 176.785 174.700 0.224 0.000 1.040 691 T CA 1.630 63.870 62.100 0.233 0.000 1.141 691 T CB -0.138 68.802 68.868 0.120 0.000 0.868 691 T HN 0.322 nan 8.240 nan 0.000 0.444 692 V N 0.020 120.000 119.914 0.112 0.000 2.379 692 V HA -0.114 3.997 4.120 -0.015 0.000 0.245 692 V C 2.289 178.425 176.094 0.069 0.000 1.044 692 V CA 1.788 64.145 62.300 0.094 0.000 1.036 692 V CB -0.984 30.872 31.823 0.055 0.000 0.664 692 V HN 0.389 nan 8.190 nan 0.000 0.453 693 Q N 0.344 120.161 119.800 0.028 0.000 2.096 693 Q HA -0.218 4.113 4.340 -0.015 0.000 0.208 693 Q C 2.306 178.317 176.000 0.017 0.000 0.993 693 Q CA 2.995 58.798 55.803 -0.000 0.000 0.862 693 Q CB -0.380 28.323 28.738 -0.058 0.000 0.915 693 Q HN 0.772 nan 8.270 nan 0.000 0.416 694 T N 0.440 115.025 114.554 0.051 0.000 2.867 694 T HA -0.067 4.274 4.350 -0.015 0.000 0.268 694 T C 1.681 176.380 174.700 -0.001 0.000 1.057 694 T CA 1.012 63.144 62.100 0.054 0.000 1.136 694 T CB -0.101 68.873 68.868 0.177 0.000 0.874 694 T HN 0.239 nan 8.240 nan 0.000 0.466 695 I N 1.415 122.014 120.570 0.049 0.000 2.113 695 I HA -0.173 3.988 4.170 -0.015 0.000 0.238 695 I C 2.393 178.536 176.117 0.042 0.000 1.070 695 I CA 1.234 62.557 61.300 0.039 0.000 1.332 695 I CB -0.371 37.692 38.000 0.105 0.000 1.044 695 I HN 0.090 nan 8.210 nan 0.000 0.402 696 D N 0.945 121.373 120.400 0.047 0.000 2.133 696 D HA -0.180 4.451 4.640 -0.015 0.000 0.195 696 D C 1.910 178.236 176.300 0.043 0.000 0.997 696 D CA 1.280 55.307 54.000 0.044 0.000 0.840 696 D CB -0.548 40.273 40.800 0.034 0.000 0.947 696 D HN 0.303 nan 8.370 nan 0.000 0.452 697 N N 0.707 119.423 118.700 0.027 0.000 2.120 697 N HA -0.107 4.624 4.740 -0.015 0.000 0.188 697 N C 1.749 177.283 175.510 0.040 0.000 1.024 697 N CA 1.283 54.343 53.050 0.017 0.000 0.852 697 N CB -0.462 38.016 38.487 -0.015 0.000 1.003 697 N HN 0.151 nan 8.380 nan 0.000 0.424 698 A N 1.242 124.089 122.820 0.046 0.000 1.883 698 A HA -0.082 4.229 4.320 -0.015 0.000 0.217 698 A C 2.371 180.109 177.584 0.256 0.000 1.186 698 A CA 1.049 53.172 52.037 0.144 0.000 0.624 698 A CB -0.820 18.238 19.000 0.096 0.000 0.822 698 A HN 0.219 nan 8.150 nan 0.000 0.444 699 L N -0.234 121.084 121.223 0.159 0.000 2.017 699 L HA -0.182 4.149 4.340 -0.015 0.000 0.208 699 L C 2.922 179.890 176.870 0.163 0.000 1.073 699 L CA 1.642 56.573 54.840 0.152 0.000 0.745 699 L CB -0.612 41.502 42.059 0.093 0.000 0.894 699 L HN 0.378 nan 8.230 nan 0.000 0.432 700 S N -0.415 115.362 115.700 0.128 0.000 2.368 700 S HA -0.141 4.319 4.470 -0.015 0.000 0.225 700 S C 1.919 176.618 174.600 0.165 0.000 1.030 700 S CA 0.989 59.258 58.200 0.116 0.000 0.999 700 S CB -0.197 63.050 63.200 0.078 0.000 0.844 700 S HN 0.278 nan 8.310 nan 0.000 0.459 701 K N 1.382 121.905 120.400 0.206 0.000 2.209 701 K HA -0.065 4.246 4.320 -0.015 0.000 0.204 701 K C 2.278 179.150 176.600 0.453 0.000 1.048 701 K CA 0.981 57.437 56.287 0.281 0.000 0.940 701 K CB -0.282 32.318 32.500 0.166 0.000 0.729 701 K HN 0.482 nan 8.250 nan 0.000 0.451 702 R N 1.338 122.125 120.500 0.478 0.000 2.073 702 R HA -0.108 4.223 4.340 -0.015 0.000 0.234 702 R C 1.676 178.155 176.300 0.299 0.000 1.134 702 R CA 1.904 58.242 56.100 0.396 0.000 0.952 702 R CB -0.294 30.245 30.300 0.397 0.000 0.850 702 R HN 0.035 nan 8.270 nan 0.000 0.433 703 N N 0.805 119.628 118.700 0.205 0.000 2.137 703 N HA -0.187 4.543 4.740 -0.015 0.000 0.190 703 N C 1.430 177.050 175.510 0.183 0.000 1.017 703 N CA 1.841 54.974 53.050 0.139 0.000 0.859 703 N CB -0.209 38.328 38.487 0.085 0.000 1.002 703 N HN 0.463 nan 8.380 nan 0.000 0.428 704 E N -0.071 120.235 120.200 0.177 0.000 2.160 704 E HA -0.209 4.132 4.350 -0.015 0.000 0.195 704 E C 1.685 178.371 176.600 0.143 0.000 0.991 704 E CA 1.033 57.529 56.400 0.160 0.000 0.810 704 E CB 0.042 29.829 29.700 0.145 0.000 0.742 704 E HN 0.223 nan 8.360 nan 0.000 0.466 705 K N -0.155 120.316 120.400 0.118 0.000 2.076 705 K HA -0.118 4.193 4.320 -0.015 0.000 0.204 705 K C 1.461 177.983 176.600 -0.131 0.000 1.051 705 K CA 0.970 57.209 56.287 -0.080 0.000 0.949 705 K CB -0.211 32.067 32.500 -0.370 0.000 0.726 705 K HN 0.081 nan 8.250 nan 0.000 0.443 706 W N 1.557 122.714 121.300 -0.238 0.000 2.333 706 W HA -0.151 4.500 4.660 -0.016 0.000 0.316 706 W C 1.967 178.347 176.519 -0.232 0.000 1.215 706 W CA 1.758 58.889 57.345 -0.357 0.000 1.278 706 W CB -1.039 28.263 29.460 -0.263 0.000 1.154 706 W HN 0.246 nan 8.180 nan 0.000 0.486 707 D N -0.107 120.481 120.400 0.314 0.000 2.127 707 D HA -0.255 4.376 4.640 -0.015 0.000 0.190 707 D C 1.946 178.411 176.300 0.275 0.000 1.000 707 D CA 2.082 56.337 54.000 0.424 0.000 0.839 707 D CB -0.365 40.645 40.800 0.350 0.000 0.955 707 D HN 0.196 nan 8.370 nan 0.000 0.446 708 E N -0.702 119.582 120.200 0.141 0.000 2.086 708 E HA -0.214 4.127 4.350 -0.015 0.000 0.200 708 E C 2.124 178.749 176.600 0.041 0.000 1.012 708 E CA 1.398 57.845 56.400 0.079 0.000 0.812 708 E CB 0.019 29.719 29.700 -0.001 0.000 0.743 708 E HN 0.159 nan 8.360 nan 0.000 0.453 709 V N 0.105 119.971 119.914 -0.080 0.000 2.379 709 V HA -0.215 3.896 4.120 -0.015 0.000 0.245 709 V C 1.963 178.059 176.094 0.004 0.000 1.044 709 V CA 1.499 63.733 62.300 -0.110 0.000 1.036 709 V CB -0.622 30.996 31.823 -0.341 0.000 0.664 709 V HN 0.315 nan 8.190 nan 0.000 0.453 710 Y N 0.995 121.273 120.300 -0.037 0.000 2.114 710 Y HA -0.272 4.268 4.550 -0.017 0.000 0.282 710 Y C 2.553 178.253 175.900 -0.334 0.000 1.165 710 Y CA 1.734 59.747 58.100 -0.146 0.000 1.148 710 Y CB -0.783 37.656 38.460 -0.034 0.000 0.972 710 Y HN 0.198 nan 8.280 nan 0.000 0.504 711 K N -0.973 119.342 120.400 -0.142 0.000 2.103 711 K HA -0.267 4.044 4.320 -0.015 0.000 0.207 711 K C 2.144 178.786 176.600 0.070 0.000 1.048 711 K CA 1.525 57.751 56.287 -0.101 0.000 0.930 711 K CB -0.531 32.077 32.500 0.181 0.000 0.716 711 K HN 0.321 nan 8.250 nan 0.000 0.444 712 Y N 1.366 121.663 120.300 -0.005 0.000 2.145 712 Y HA -0.164 4.377 4.550 -0.016 0.000 0.286 712 Y C 1.743 177.636 175.900 -0.013 0.000 1.145 712 Y CA 1.589 59.696 58.100 0.013 0.000 1.148 712 Y CB -0.120 38.333 38.460 -0.013 0.000 0.981 712 Y HN 0.004 nan 8.280 nan 0.000 0.507 713 I N -1.258 119.287 120.570 -0.042 0.000 2.315 713 I HA -0.275 3.886 4.170 -0.015 0.000 0.248 713 I C 2.212 178.287 176.117 -0.071 0.000 1.117 713 I CA 1.019 62.242 61.300 -0.128 0.000 1.404 713 I CB -0.531 37.426 38.000 -0.072 0.000 1.071 713 I HN 0.103 nan 8.210 nan 0.000 0.419 714 V N 0.592 120.504 119.914 -0.003 0.000 2.270 714 V HA -0.282 3.829 4.120 -0.015 0.000 0.245 714 V C 2.532 178.767 176.094 0.236 0.000 1.043 714 V CA 2.472 64.891 62.300 0.199 0.000 1.014 714 V CB -0.838 31.089 31.823 0.174 0.000 0.645 714 V HN 0.438 nan 8.190 nan 0.000 0.447 715 T N 0.188 114.799 114.554 0.095 0.000 2.649 715 T HA -0.280 4.061 4.350 -0.015 0.000 0.268 715 T C 1.855 176.463 174.700 -0.153 0.000 1.036 715 T CA 2.044 64.172 62.100 0.047 0.000 1.157 715 T CB -0.493 68.413 68.868 0.064 0.000 0.861 715 T HN 0.457 nan 8.240 nan 0.000 0.445 716 N N -0.594 117.891 118.700 -0.359 0.000 2.120 716 N HA -0.125 4.605 4.740 -0.015 0.000 0.188 716 N C 1.727 177.100 175.510 -0.229 0.000 1.024 716 N CA 1.458 54.165 53.050 -0.571 0.000 0.852 716 N CB -0.192 37.933 38.487 -0.603 0.000 1.003 716 N HN 0.569 nan 8.380 nan 0.000 0.424 717 W N 2.163 123.335 121.300 -0.213 0.000 2.409 717 W HA 0.025 4.675 4.660 -0.017 0.000 0.299 717 W C 1.941 178.433 176.519 -0.045 0.000 1.203 717 W CA 0.629 57.923 57.345 -0.085 0.000 1.298 717 W CB -0.651 28.787 29.460 -0.036 0.000 1.127 717 W HN -0.079 nan 8.180 nan 0.000 0.528 718 L N 0.930 121.999 121.223 -0.256 0.000 2.013 718 L HA -0.251 4.080 4.340 -0.015 0.000 0.212 718 L C 2.712 179.378 176.870 -0.338 0.000 1.073 718 L CA 1.917 56.529 54.840 -0.380 0.000 0.753 718 L CB -1.244 40.817 42.059 0.003 0.000 0.890 718 L HN 0.179 nan 8.230 nan 0.000 0.432 719 A N -0.275 122.291 122.820 -0.425 0.000 1.903 719 A HA -0.100 4.210 4.320 -0.015 0.000 0.213 719 A C 2.183 179.733 177.584 -0.056 0.000 1.185 719 A CA 1.101 52.804 52.037 -0.557 0.000 0.628 719 A CB -0.077 18.654 19.000 -0.447 0.000 0.830 719 A HN 0.373 nan 8.150 nan 0.000 0.446 720 K N -1.067 119.306 120.400 -0.046 0.000 2.348 720 K HA 0.268 4.579 4.320 -0.015 0.000 0.194 720 K C 1.240 177.863 176.600 0.038 0.000 1.052 720 K CA 0.729 57.101 56.287 0.142 0.000 1.004 720 K CB 0.433 33.026 32.500 0.155 0.000 0.873 720 K HN 0.276 nan 8.250 nan 0.000 0.523 721 V N 1.080 120.922 119.914 -0.119 0.000 2.870 721 V HA -0.067 4.044 4.120 -0.015 0.000 0.232 721 V C 1.743 177.678 176.094 -0.266 0.000 1.161 721 V CA 0.825 62.999 62.300 -0.211 0.000 1.204 721 V CB -0.361 31.428 31.823 -0.055 0.000 1.003 721 V HN 0.174 nan 8.190 nan 0.000 0.499 722 N N 1.059 119.473 118.700 -0.478 0.000 2.258 722 N HA -0.202 4.529 4.740 -0.015 0.000 0.187 722 N C 1.750 177.135 175.510 -0.208 0.000 1.012 722 N CA 2.188 54.967 53.050 -0.452 0.000 0.870 722 N CB -0.088 37.891 38.487 -0.847 0.000 0.977 722 N HN 0.692 nan 8.380 nan 0.000 0.434 723 T N -2.743 111.750 114.554 -0.101 0.000 2.812 723 T HA -0.090 4.251 4.350 -0.015 0.000 0.264 723 T C 1.747 176.486 174.700 0.065 0.000 1.042 723 T CA 0.880 62.997 62.100 0.028 0.000 1.140 723 T CB -0.484 68.493 68.868 0.182 0.000 0.870 723 T HN 0.245 nan 8.240 nan 0.000 0.445 724 Q N 0.446 120.281 119.800 0.058 0.000 2.061 724 Q HA -0.061 4.270 4.340 -0.015 0.000 0.204 724 Q C 2.356 178.384 176.000 0.046 0.000 0.984 724 Q CA 1.358 57.224 55.803 0.105 0.000 0.846 724 Q CB -0.366 28.244 28.738 -0.213 0.000 0.902 724 Q HN 0.433 nan 8.270 nan 0.000 0.421 725 I N 1.426 121.958 120.570 -0.063 0.000 2.286 725 I HA -0.219 3.942 4.170 -0.015 0.000 0.248 725 I C 1.509 177.595 176.117 -0.051 0.000 1.115 725 I CA 1.349 62.607 61.300 -0.069 0.000 1.392 725 I CB -1.084 36.855 38.000 -0.101 0.000 1.065 725 I HN 0.172 nan 8.210 nan 0.000 0.418 726 D N 0.309 120.672 120.400 -0.062 0.000 2.224 726 D HA -0.125 4.506 4.640 -0.015 0.000 0.205 726 D C 2.158 178.422 176.300 -0.059 0.000 0.965 726 D CA 0.599 54.558 54.000 -0.070 0.000 0.852 726 D CB -0.130 40.609 40.800 -0.102 0.000 0.947 726 D HN 0.159 nan 8.370 nan 0.000 0.494 727 L N 0.809 121.998 121.223 -0.056 0.000 2.005 727 L HA -0.056 4.274 4.340 -0.015 0.000 0.207 727 L C 2.127 178.958 176.870 -0.065 0.000 1.072 727 L CA 1.303 56.081 54.840 -0.103 0.000 0.744 727 L CB -0.667 41.233 42.059 -0.265 0.000 0.895 727 L HN -0.041 nan 8.230 nan 0.000 0.433 728 I N -0.585 119.977 120.570 -0.013 0.000 2.194 728 I HA -0.383 3.778 4.170 -0.015 0.000 0.246 728 I C 2.754 178.868 176.117 -0.005 0.000 1.093 728 I CA 1.625 62.926 61.300 0.001 0.000 1.355 728 I CB -0.368 37.643 38.000 0.018 0.000 1.046 728 I HN 0.339 nan 8.210 nan 0.000 0.413 729 R N 1.324 121.819 120.500 -0.008 0.000 2.083 729 R HA -0.222 4.109 4.340 -0.015 0.000 0.237 729 R C 2.254 178.564 176.300 0.018 0.000 1.137 729 R CA 1.772 57.875 56.100 0.005 0.000 0.951 729 R CB -0.079 30.215 30.300 -0.010 0.000 0.851 729 R HN 0.309 nan 8.270 nan 0.000 0.434 730 K N 0.106 120.510 120.400 0.007 0.000 2.097 730 K HA -0.111 4.200 4.320 -0.015 0.000 0.205 730 K C 2.166 178.792 176.600 0.043 0.000 1.050 730 K CA 1.396 57.699 56.287 0.027 0.000 0.938 730 K CB 0.008 32.519 32.500 0.017 0.000 0.718 730 K HN 0.190 nan 8.250 nan 0.000 0.442 731 K N 0.133 120.548 120.400 0.025 0.000 2.057 731 K HA -0.044 4.267 4.320 -0.015 0.000 0.206 731 K C 2.170 178.802 176.600 0.052 0.000 1.050 731 K CA 1.038 57.347 56.287 0.038 0.000 0.935 731 K CB -0.025 32.476 32.500 0.002 0.000 0.715 731 K HN 0.048 nan 8.250 nan 0.000 0.439 732 M N 1.393 121.015 119.600 0.036 0.000 2.082 732 M HA -0.213 4.258 4.480 -0.015 0.000 0.258 732 M C 2.191 178.555 176.300 0.107 0.000 1.071 732 M CA 1.704 57.038 55.300 0.056 0.000 1.103 732 M CB -1.017 31.607 32.600 0.040 0.000 1.307 732 M HN -0.059 nan 8.290 nan 0.000 0.409 733 K N 0.990 121.448 120.400 0.097 0.000 2.144 733 K HA -0.245 4.066 4.320 -0.015 0.000 0.209 733 K C 1.713 178.389 176.600 0.127 0.000 1.047 733 K CA 2.301 58.655 56.287 0.111 0.000 0.927 733 K CB -0.373 32.182 32.500 0.091 0.000 0.716 733 K HN 0.602 nan 8.250 nan 0.000 0.454 734 E N -0.626 119.645 120.200 0.119 0.000 2.046 734 E HA -0.108 4.233 4.350 -0.015 0.000 0.190 734 E C 1.937 178.639 176.600 0.169 0.000 0.982 734 E CA 1.115 57.593 56.400 0.130 0.000 0.800 734 E CB -0.527 29.243 29.700 0.118 0.000 0.756 734 E HN 0.250 nan 8.360 nan 0.000 0.449 735 A N 1.768 124.699 122.820 0.185 0.000 1.903 735 A HA -0.205 4.106 4.320 -0.015 0.000 0.219 735 A C 2.355 180.142 177.584 0.338 0.000 1.191 735 A CA 1.862 54.060 52.037 0.268 0.000 0.638 735 A CB -1.000 18.139 19.000 0.231 0.000 0.823 735 A HN 0.377 nan 8.150 nan 0.000 0.451 736 L N -1.203 120.204 121.223 0.306 0.000 2.012 736 L HA -0.243 4.088 4.340 -0.015 0.000 0.210 736 L C 2.669 179.709 176.870 0.282 0.000 1.073 736 L CA 1.966 56.985 54.840 0.298 0.000 0.748 736 L CB -0.757 41.442 42.059 0.234 0.000 0.891 736 L HN 0.484 nan 8.230 nan 0.000 0.431 737 E N 0.031 120.362 120.200 0.218 0.000 2.058 737 E HA -0.233 4.108 4.350 -0.015 0.000 0.194 737 E C 2.009 178.718 176.600 0.180 0.000 0.997 737 E CA 1.257 57.764 56.400 0.178 0.000 0.801 737 E CB -0.048 29.729 29.700 0.128 0.000 0.746 737 E HN 0.382 nan 8.360 nan 0.000 0.450 738 N N 0.394 119.208 118.700 0.189 0.000 2.094 738 N HA -0.185 4.546 4.740 -0.015 0.000 0.191 738 N C 1.764 177.397 175.510 0.206 0.000 1.023 738 N CA 1.109 54.275 53.050 0.193 0.000 0.857 738 N CB -0.132 38.482 38.487 0.210 0.000 1.013 738 N HN 0.190 nan 8.380 nan 0.000 0.426 739 Q N -0.039 119.880 119.800 0.197 0.000 2.083 739 Q HA 0.103 4.434 4.340 -0.015 0.000 0.198 739 Q C 2.005 178.128 176.000 0.205 0.000 0.969 739 Q CA 1.117 57.004 55.803 0.140 0.000 0.838 739 Q CB -0.375 28.394 28.738 0.051 0.000 0.900 739 Q HN 0.391 nan 8.270 nan 0.000 0.436 740 A N 1.219 124.194 122.820 0.258 0.000 1.969 740 A HA -0.152 4.159 4.320 -0.015 0.000 0.218 740 A C 1.947 179.546 177.584 0.025 0.000 1.169 740 A CA 1.083 53.137 52.037 0.028 0.000 0.635 740 A CB -0.129 18.892 19.000 0.035 0.000 0.810 740 A HN 0.170 nan 8.150 nan 0.000 0.445 741 E N 0.090 120.362 120.200 0.121 0.000 2.072 741 E HA -0.077 4.264 4.350 -0.015 0.000 0.190 741 E C 2.330 179.085 176.600 0.259 0.000 0.982 741 E CA 1.208 57.711 56.400 0.173 0.000 0.803 741 E CB -0.646 29.161 29.700 0.177 0.000 0.755 741 E HN 0.557 nan 8.360 nan 0.000 0.453 742 A N 0.723 123.700 122.820 0.262 0.000 1.972 742 A HA -0.140 4.171 4.320 -0.015 0.000 0.219 742 A C 2.428 179.975 177.584 -0.062 0.000 1.169 742 A CA 1.926 53.988 52.037 0.042 0.000 0.635 742 A CB -0.722 18.277 19.000 -0.002 0.000 0.810 742 A HN 0.210 nan 8.150 nan 0.000 0.446 743 T N -0.396 114.149 114.554 -0.016 0.000 2.732 743 T HA -0.077 4.264 4.350 -0.015 0.000 0.261 743 T C 1.949 176.604 174.700 -0.074 0.000 1.040 743 T CA 1.424 63.485 62.100 -0.065 0.000 1.145 743 T CB -0.177 68.645 68.868 -0.078 0.000 0.866 743 T HN 0.473 nan 8.240 nan 0.000 0.427 744 K N 0.964 121.337 120.400 -0.045 0.000 2.127 744 K HA -0.136 4.175 4.320 -0.015 0.000 0.208 744 K C 2.462 179.101 176.600 0.065 0.000 1.047 744 K CA 1.382 57.674 56.287 0.008 0.000 0.927 744 K CB -0.264 32.251 32.500 0.026 0.000 0.716 744 K HN 0.296 nan 8.250 nan 0.000 0.450 745 A N 1.260 124.121 122.820 0.069 0.000 1.872 745 A HA -0.085 4.226 4.320 -0.015 0.000 0.214 745 A C 2.073 179.703 177.584 0.076 0.000 1.187 745 A CA 0.984 53.073 52.037 0.087 0.000 0.614 745 A CB -0.432 18.606 19.000 0.064 0.000 0.826 745 A HN 0.162 nan 8.150 nan 0.000 0.442 746 I N -0.061 120.517 120.570 0.013 0.000 2.361 746 I HA -0.256 3.904 4.170 -0.015 0.000 0.251 746 I C 2.254 178.499 176.117 0.214 0.000 1.133 746 I CA 0.965 62.317 61.300 0.086 0.000 1.413 746 I CB -0.262 37.746 38.000 0.013 0.000 1.073 746 I HN 0.344 nan 8.210 nan 0.000 0.424 747 I N 0.775 121.433 120.570 0.147 0.000 2.142 747 I HA -0.324 3.837 4.170 -0.015 0.000 0.240 747 I C 2.107 178.421 176.117 0.330 0.000 1.078 747 I CA 1.716 63.168 61.300 0.253 0.000 1.343 747 I CB -0.437 37.621 38.000 0.096 0.000 1.046 747 I HN 0.286 nan 8.210 nan 0.000 0.405 748 N N 0.018 118.866 118.700 0.247 0.000 2.244 748 N HA -0.220 4.511 4.740 -0.015 0.000 0.183 748 N C 1.685 177.307 175.510 0.186 0.000 1.016 748 N CA 0.829 54.011 53.050 0.220 0.000 0.866 748 N CB -0.429 38.165 38.487 0.179 0.000 0.980 748 N HN 0.322 nan 8.380 nan 0.000 0.430 749 Y N 1.654 122.002 120.300 0.081 0.000 2.207 749 Y HA -0.208 4.333 4.550 -0.015 0.000 0.287 749 Y C 2.110 178.011 175.900 0.003 0.000 1.156 749 Y CA 1.644 59.771 58.100 0.044 0.000 1.182 749 Y CB -0.230 38.255 38.460 0.041 0.000 0.979 749 Y HN 0.093 nan 8.280 nan 0.000 0.521 750 Q N -0.777 118.985 119.800 -0.062 0.000 1.890 750 Q HA -0.264 4.067 4.340 -0.015 0.000 0.208 750 Q C 2.222 177.721 176.000 -0.835 0.000 0.982 750 Q CA 1.979 57.608 55.803 -0.291 0.000 0.856 750 Q CB -1.513 27.234 28.738 0.016 0.000 0.915 750 Q HN 0.697 nan 8.270 nan 0.000 0.427 751 Y N 2.004 121.821 120.300 -0.805 0.000 2.321 751 Y HA -0.298 4.243 4.550 -0.015 0.000 0.281 751 Y C 1.628 177.018 175.900 -0.849 0.000 1.200 751 Y CA 1.746 59.094 58.100 -1.253 0.000 1.269 751 Y CB -0.178 37.850 38.460 -0.721 0.000 0.972 751 Y HN 0.283 nan 8.280 nan 0.000 0.550 752 N N -0.679 117.814 118.700 -0.345 0.000 2.376 752 N HA -0.114 4.617 4.740 -0.015 0.000 0.177 752 N C 0.814 176.221 175.510 -0.172 0.000 1.024 752 N CA 0.442 53.399 53.050 -0.156 0.000 0.893 752 N CB -0.033 38.443 38.487 -0.018 0.000 0.980 752 N HN 0.511 nan 8.380 nan 0.000 0.439 753 Q N -0.028 119.639 119.800 -0.221 0.000 2.344 753 Q HA -0.028 4.303 4.340 -0.015 0.000 0.212 753 Q C -0.044 176.061 176.000 0.175 0.000 0.943 753 Q CA 0.595 56.379 55.803 -0.031 0.000 0.955 753 Q CB 0.185 28.870 28.738 -0.088 0.000 1.000 753 Q HN 0.447 nan 8.270 nan 0.000 0.488 754 Y N -0.259 119.891 120.300 -0.251 0.000 2.710 754 Y HA 0.197 4.738 4.550 -0.015 0.000 0.117 754 Y C 2.582 178.328 175.900 -0.256 0.000 0.875 754 Y CA 0.518 58.435 58.100 -0.305 0.000 1.795 754 Y CB -0.739 37.422 38.460 -0.498 0.000 1.154 754 Y HN 0.054 nan 8.280 nan 0.000 0.308 755 T N 0.002 114.493 114.554 -0.106 0.000 2.614 755 T HA 0.153 4.494 4.350 -0.015 0.000 0.263 755 T C 1.108 175.724 174.700 -0.140 0.000 1.055 755 T CA 3.079 65.078 62.100 -0.169 0.000 1.162 755 T CB -0.691 nan 68.868 nan 0.000 0.863 755 T HN 0.413 nan 8.240 nan 0.000 0.414 756 E N -0.632 119.508 120.200 -0.100 0.000 3.315 756 E HA 0.572 4.913 4.350 -0.015 0.000 0.153 756 E C 0.488 177.057 176.600 -0.052 0.000 0.934 756 E CA 1.253 57.602 56.400 -0.086 0.000 1.426 756 E CB -1.570 nan 29.700 nan 0.000 1.048 756 E HN 1.559 nan 8.360 nan 0.000 0.422 757 E N -1.462 118.709 120.200 -0.048 0.000 3.180 757 E HA -0.013 4.328 4.350 -0.015 0.000 0.321 757 E C 0.983 177.550 176.600 -0.056 0.000 1.452 757 E CA 2.329 58.694 56.400 -0.060 0.000 1.710 757 E CB -1.739 nan 29.700 nan 0.000 1.867 757 E HN 2.054 nan 8.360 nan 0.000 0.513 758 E N -0.472 119.681 120.200 -0.078 0.000 2.945 758 E HA 0.643 4.984 4.350 -0.015 0.000 0.196 758 E C 1.708 178.264 176.600 -0.074 0.000 0.965 758 E CA 1.324 57.692 56.400 -0.055 0.000 1.270 758 E CB -1.063 nan 29.700 nan 0.000 1.045 758 E HN 2.248 nan 8.360 nan 0.000 0.474 759 K N -0.345 119.959 120.400 -0.159 0.000 3.999 759 K HA -0.451 3.860 4.320 -0.015 0.000 0.269 759 K C 1.933 178.535 176.600 0.002 0.000 0.686 759 K CA 3.853 60.049 56.287 -0.152 0.000 1.053 759 K CB -2.634 nan 32.500 nan 0.000 0.744 759 K HN 1.814 nan 8.250 nan 0.000 0.793 760 N N 1.393 120.096 118.700 0.005 0.000 2.617 760 N HA 0.272 5.003 4.740 -0.015 0.000 0.198 760 N C 1.554 177.084 175.510 0.034 0.000 1.317 760 N CA 2.107 55.176 53.050 0.031 0.000 0.892 760 N CB -1.271 nan 38.487 nan 0.000 1.041 760 N HN 1.583 nan 8.380 nan 0.000 0.450 761 N N -0.024 118.696 118.700 0.034 0.000 2.067 761 N HA 0.317 5.048 4.740 -0.015 0.000 0.227 761 N C 0.344 175.892 175.510 0.063 0.000 1.348 761 N CA 0.434 53.504 53.050 0.032 0.000 0.879 761 N CB 0.171 nan 38.487 nan 0.000 1.109 761 N HN 0.733 nan 8.380 nan 0.000 0.501 762 I N -0.948 119.687 120.570 0.108 0.000 2.871 762 I HA 0.341 4.502 4.170 -0.015 0.000 0.284 762 I C -1.014 175.274 176.117 0.283 0.000 1.390 762 I CA -0.843 60.566 61.300 0.182 0.000 0.958 762 I CB 0.465 38.578 38.000 0.188 0.000 1.618 762 I HN 0.101 nan 8.210 nan 0.000 0.595 763 N N 3.677 122.503 118.700 0.211 0.000 2.543 763 N HA -0.016 4.715 4.740 -0.015 0.000 0.289 763 N C -0.957 174.676 175.510 0.205 0.000 1.223 763 N CA 0.074 53.241 53.050 0.196 0.000 1.080 763 N CB 0.136 38.690 38.487 0.112 0.000 1.450 763 N HN 0.693 nan 8.380 nan 0.000 0.501 764 F N 2.292 122.280 119.950 0.062 0.000 2.425 764 F HA 0.488 5.006 4.527 -0.015 0.000 0.331 764 F C -0.799 174.939 175.800 -0.104 0.000 1.085 764 F CA -1.211 56.789 58.000 -0.000 0.000 1.028 764 F CB 1.158 40.196 39.000 0.064 0.000 1.177 764 F HN 0.300 nan 8.300 nan 0.000 0.487 765 N N 6.425 124.483 118.700 -1.069 0.000 2.524 765 N HA 0.178 4.909 4.740 -0.015 0.000 0.261 765 N C 0.420 175.296 175.510 -1.057 0.000 0.998 765 N CA -0.671 51.870 53.050 -0.848 0.000 0.915 765 N CB 0.927 39.183 38.487 -0.385 0.000 1.187 765 N HN 0.773 nan 8.380 nan 0.000 0.507 766 I N -2.062 117.989 120.570 -0.865 0.000 2.381 766 I HA -0.238 3.923 4.170 -0.015 0.000 0.255 766 I C 1.246 177.210 176.117 -0.256 0.000 1.140 766 I CA 1.496 62.556 61.300 -0.401 0.000 1.404 766 I CB -0.261 37.648 38.000 -0.150 0.000 1.075 766 I HN 0.359 nan 8.210 nan 0.000 0.433 767 D N 0.629 120.877 120.400 -0.253 0.000 2.224 767 D HA -0.183 4.447 4.640 -0.015 0.000 0.205 767 D C 1.710 177.923 176.300 -0.146 0.000 0.965 767 D CA 1.134 55.038 54.000 -0.160 0.000 0.852 767 D CB -0.092 40.628 40.800 -0.133 0.000 0.947 767 D HN 0.485 nan 8.370 nan 0.000 0.494 768 D N -0.331 119.953 120.400 -0.193 0.000 2.327 768 D HA -0.052 4.578 4.640 -0.015 0.000 0.205 768 D C 2.119 178.361 176.300 -0.097 0.000 0.989 768 D CA -0.085 53.838 54.000 -0.128 0.000 0.873 768 D CB 0.379 41.108 40.800 -0.118 0.000 0.955 768 D HN 0.156 nan 8.370 nan 0.000 0.515 769 L N 0.613 121.755 121.223 -0.135 0.000 2.056 769 L HA -0.103 4.227 4.340 -0.015 0.000 0.207 769 L C 2.197 179.034 176.870 -0.055 0.000 1.078 769 L CA 1.439 56.257 54.840 -0.036 0.000 0.749 769 L CB -0.443 41.649 42.059 0.055 0.000 0.901 769 L HN -0.155 nan 8.230 nan 0.000 0.433 770 S N -1.105 114.552 115.700 -0.072 0.000 2.348 770 S HA -0.240 4.221 4.470 -0.015 0.000 0.221 770 S C 2.090 176.665 174.600 -0.042 0.000 1.033 770 S CA 1.491 59.656 58.200 -0.058 0.000 1.010 770 S CB -0.675 62.490 63.200 -0.057 0.000 0.891 770 S HN 0.614 nan 8.310 nan 0.000 0.442 771 S N 1.224 116.897 115.700 -0.044 0.000 2.372 771 S HA -0.209 4.252 4.470 -0.015 0.000 0.227 771 S C 1.916 176.510 174.600 -0.010 0.000 1.044 771 S CA 1.320 59.504 58.200 -0.027 0.000 1.050 771 S CB -0.288 62.892 63.200 -0.032 0.000 0.901 771 S HN 0.288 nan 8.310 nan 0.000 0.447 772 K N 0.804 121.196 120.400 -0.013 0.000 2.057 772 K HA 0.074 4.384 4.320 -0.015 0.000 0.206 772 K C 2.106 178.713 176.600 0.012 0.000 1.050 772 K CA 0.997 57.285 56.287 0.003 0.000 0.935 772 K CB -0.714 31.787 32.500 0.003 0.000 0.715 772 K HN 0.452 nan 8.250 nan 0.000 0.439 773 L N 1.236 122.447 121.223 -0.021 0.000 2.313 773 L HA -0.084 4.246 4.340 -0.015 0.000 0.214 773 L C 1.876 178.804 176.870 0.097 0.000 1.119 773 L CA 0.502 55.337 54.840 -0.009 0.000 0.809 773 L CB -0.352 41.578 42.059 -0.214 0.000 0.933 773 L HN 0.146 nan 8.230 nan 0.000 0.449 774 N N 0.456 119.190 118.700 0.057 0.000 2.135 774 N HA -0.155 4.576 4.740 -0.015 0.000 0.186 774 N C 1.659 177.216 175.510 0.079 0.000 1.027 774 N CA 1.100 54.194 53.050 0.073 0.000 0.849 774 N CB -0.101 38.409 38.487 0.038 0.000 1.002 774 N HN 0.377 nan 8.380 nan 0.000 0.425 775 E N 0.691 120.926 120.200 0.059 0.000 2.086 775 E HA -0.188 4.153 4.350 -0.015 0.000 0.200 775 E C 1.924 178.566 176.600 0.070 0.000 1.012 775 E CA 1.347 57.779 56.400 0.054 0.000 0.812 775 E CB -0.146 29.577 29.700 0.038 0.000 0.743 775 E HN 0.164 nan 8.360 nan 0.000 0.453 776 S N 0.229 115.989 115.700 0.100 0.000 2.343 776 S HA -0.150 4.311 4.470 -0.015 0.000 0.219 776 S C 1.980 176.653 174.600 0.121 0.000 1.033 776 S CA 1.028 59.304 58.200 0.128 0.000 1.014 776 S CB -0.210 63.151 63.200 0.269 0.000 0.915 776 S HN 0.185 nan 8.310 nan 0.000 0.435 777 I N 1.901 122.578 120.570 0.178 0.000 2.208 777 I HA -0.224 3.937 4.170 -0.015 0.000 0.245 777 I C 2.050 178.231 176.117 0.106 0.000 1.097 777 I CA 1.115 62.508 61.300 0.154 0.000 1.363 777 I CB -0.491 37.624 38.000 0.192 0.000 1.051 777 I HN 0.310 nan 8.210 nan 0.000 0.413 778 N N 1.020 119.776 118.700 0.094 0.000 2.120 778 N HA -0.166 4.565 4.740 -0.015 0.000 0.188 778 N C 1.720 177.268 175.510 0.065 0.000 1.024 778 N CA 1.197 54.295 53.050 0.079 0.000 0.852 778 N CB -0.237 38.293 38.487 0.072 0.000 1.003 778 N HN 0.340 nan 8.380 nan 0.000 0.424 779 K N 0.686 121.119 120.400 0.054 0.000 2.026 779 K HA -0.016 4.295 4.320 -0.015 0.000 0.208 779 K C 2.060 178.683 176.600 0.039 0.000 1.048 779 K CA 1.186 57.495 56.287 0.037 0.000 0.929 779 K CB -0.224 32.288 32.500 0.021 0.000 0.713 779 K HN 0.138 nan 8.250 nan 0.000 0.439 780 A N 1.692 124.538 122.820 0.044 0.000 1.873 780 A HA -0.229 4.082 4.320 -0.015 0.000 0.218 780 A C 2.147 179.774 177.584 0.071 0.000 1.193 780 A CA 1.862 53.935 52.037 0.061 0.000 0.629 780 A CB -0.483 18.566 19.000 0.081 0.000 0.826 780 A HN 0.170 nan 8.150 nan 0.000 0.447 781 M N -0.469 119.178 119.600 0.078 0.000 2.202 781 M HA -0.101 4.370 4.480 -0.015 0.000 0.262 781 M C 2.117 178.457 176.300 0.067 0.000 1.063 781 M CA 1.157 56.503 55.300 0.077 0.000 1.097 781 M CB -1.346 31.302 32.600 0.080 0.000 1.382 781 M HN 0.468 nan 8.290 nan 0.000 0.413 782 I N 0.426 121.031 120.570 0.058 0.000 2.208 782 I HA -0.337 3.824 4.170 -0.015 0.000 0.245 782 I C 2.038 178.189 176.117 0.057 0.000 1.097 782 I CA 1.046 62.378 61.300 0.053 0.000 1.363 782 I CB -0.639 37.387 38.000 0.042 0.000 1.051 782 I HN 0.315 nan 8.210 nan 0.000 0.413 783 N N 1.247 119.979 118.700 0.052 0.000 2.080 783 N HA -0.108 4.623 4.740 -0.015 0.000 0.189 783 N C 1.947 177.511 175.510 0.090 0.000 1.036 783 N CA 1.452 54.535 53.050 0.055 0.000 0.846 783 N CB -0.437 38.063 38.487 0.022 0.000 1.015 783 N HN 0.312 nan 8.380 nan 0.000 0.423 784 I N 1.484 122.102 120.570 0.081 0.000 2.226 784 I HA -0.256 3.905 4.170 -0.015 0.000 0.245 784 I C 1.828 178.035 176.117 0.150 0.000 1.100 784 I CA 0.832 62.205 61.300 0.122 0.000 1.374 784 I CB -0.272 37.775 38.000 0.079 0.000 1.057 784 I HN 0.117 nan 8.210 nan 0.000 0.413 785 N N 1.096 119.854 118.700 0.096 0.000 2.025 785 N HA -0.253 4.478 4.740 -0.015 0.000 0.194 785 N C 1.828 177.383 175.510 0.075 0.000 1.044 785 N CA 1.474 54.565 53.050 0.069 0.000 0.851 785 N CB -0.437 38.082 38.487 0.053 0.000 1.036 785 N HN 0.315 nan 8.380 nan 0.000 0.422 786 K N 0.125 120.580 120.400 0.092 0.000 2.059 786 K HA -0.194 4.117 4.320 -0.015 0.000 0.212 786 K C 2.089 178.771 176.600 0.137 0.000 1.050 786 K CA 1.389 57.737 56.287 0.102 0.000 0.927 786 K CB -0.357 32.203 32.500 0.099 0.000 0.714 786 K HN 0.106 nan 8.250 nan 0.000 0.447 787 F N 1.254 121.223 119.950 0.032 0.000 2.126 787 F HA -0.155 4.363 4.527 -0.015 0.000 0.299 787 F C 1.525 177.358 175.800 0.055 0.000 1.096 787 F CA 1.435 59.459 58.000 0.040 0.000 1.255 787 F CB -0.163 38.849 39.000 0.021 0.000 0.997 787 F HN 0.001 nan 8.300 nan 0.000 0.479 788 L N -0.151 120.945 121.223 -0.213 0.000 2.209 788 L HA -0.135 4.196 4.340 -0.015 0.000 0.207 788 L C 2.257 179.028 176.870 -0.166 0.000 1.094 788 L CA 0.503 55.141 54.840 -0.338 0.000 0.790 788 L CB -0.799 41.179 42.059 -0.135 0.000 0.932 788 L HN 0.123 nan 8.230 nan 0.000 0.447 789 N N 0.525 119.194 118.700 -0.052 0.000 2.036 789 N HA -0.259 4.472 4.740 -0.015 0.000 0.195 789 N C 1.845 177.376 175.510 0.035 0.000 1.037 789 N CA 1.553 54.615 53.050 0.020 0.000 0.855 789 N CB -0.298 38.223 38.487 0.055 0.000 1.033 789 N HN 0.401 nan 8.380 nan 0.000 0.423 790 Q N -0.220 119.589 119.800 0.015 0.000 2.170 790 Q HA -0.034 4.297 4.340 -0.015 0.000 0.203 790 Q C 2.289 178.292 176.000 0.004 0.000 0.976 790 Q CA 0.987 56.822 55.803 0.053 0.000 0.858 790 Q CB -0.077 28.718 28.738 0.095 0.000 0.907 790 Q HN 0.416 nan 8.270 nan 0.000 0.433 791 C N -0.845 118.368 119.300 -0.145 0.000 2.425 791 C HA -0.107 4.344 4.460 -0.015 0.000 0.277 791 C C 2.960 177.963 174.990 0.021 0.000 1.280 791 C CA 0.960 59.895 59.018 -0.137 0.000 1.744 791 C CB -0.817 26.702 27.740 -0.367 0.000 1.989 791 C HN 0.550 nan 8.230 nan 0.000 0.491 792 S N 0.283 116.021 115.700 0.063 0.000 2.338 792 S HA -0.119 4.342 4.470 -0.015 0.000 0.218 792 S C 1.918 176.744 174.600 0.376 0.000 1.032 792 S CA 1.857 60.213 58.200 0.260 0.000 0.999 792 S CB -0.262 63.084 63.200 0.243 0.000 0.905 792 S HN 0.369 nan 8.310 nan 0.000 0.439 793 V N 2.351 122.394 119.914 0.215 0.000 2.287 793 V HA -0.166 3.944 4.120 -0.015 0.000 0.248 793 V C 2.846 178.794 176.094 -0.243 0.000 1.053 793 V CA 2.203 64.472 62.300 -0.052 0.000 1.027 793 V CB -1.283 30.515 31.823 -0.043 0.000 0.646 793 V HN 0.775 nan 8.190 nan 0.000 0.447 794 S N -0.599 115.021 115.700 -0.132 0.000 2.387 794 S HA -0.326 4.135 4.470 -0.015 0.000 0.230 794 S C 2.028 176.611 174.600 -0.027 0.000 1.035 794 S CA 2.126 60.273 58.200 -0.089 0.000 1.014 794 S CB -0.723 62.573 63.200 0.159 0.000 0.836 794 S HN 0.667 nan 8.310 nan 0.000 0.466 795 Y N 1.407 121.674 120.300 -0.056 0.000 2.220 795 Y HA 0.076 4.616 4.550 -0.016 0.000 0.291 795 Y C 2.155 177.980 175.900 -0.124 0.000 1.129 795 Y CA 1.358 59.443 58.100 -0.026 0.000 1.161 795 Y CB -0.524 37.968 38.460 0.052 0.000 0.997 795 Y HN 0.365 nan 8.280 nan 0.000 0.522 796 L N -0.252 120.839 121.223 -0.220 0.000 1.989 796 L HA -0.252 4.078 4.340 -0.015 0.000 0.211 796 L C 2.060 178.639 176.870 -0.486 0.000 1.071 796 L CA 2.055 56.531 54.840 -0.606 0.000 0.749 796 L CB -0.790 40.508 42.059 -1.268 0.000 0.890 796 L HN 0.203 nan 8.230 nan 0.000 0.431 797 M N 0.197 119.545 119.600 -0.421 0.000 2.175 797 M HA -0.089 4.382 4.480 -0.015 0.000 0.264 797 M C 1.760 177.978 176.300 -0.136 0.000 1.063 797 M CA 1.759 56.882 55.300 -0.296 0.000 1.119 797 M CB -1.617 30.778 32.600 -0.342 0.000 1.377 797 M HN 0.688 nan 8.290 nan 0.000 0.415 798 N N -1.161 117.476 118.700 -0.106 0.000 2.220 798 N HA 0.031 4.762 4.740 -0.015 0.000 0.195 798 N C 0.607 176.048 175.510 -0.116 0.000 1.123 798 N CA 0.407 53.466 53.050 0.015 0.000 0.874 798 N CB -0.023 38.543 38.487 0.131 0.000 0.995 798 N HN 0.043 nan 8.380 nan 0.000 0.498 799 S N -0.909 114.604 115.700 -0.313 0.000 2.733 799 S HA 0.380 4.841 4.470 -0.015 0.000 0.247 799 S C 1.076 175.532 174.600 -0.242 0.000 1.043 799 S CA -0.317 57.668 58.200 -0.359 0.000 1.066 799 S CB 0.318 63.080 63.200 -0.730 0.000 1.045 799 S HN 0.199 nan 8.310 nan 0.000 0.586 800 M N 0.075 119.522 119.600 -0.255 0.000 2.902 800 M HA 0.320 4.791 4.480 -0.015 0.000 0.225 800 M C 1.276 177.524 176.300 -0.087 0.000 1.711 800 M CA 0.282 55.512 55.300 -0.116 0.000 1.213 800 M CB -0.184 32.309 32.600 -0.178 0.000 1.265 800 M HN 0.105 nan 8.290 nan 0.000 0.577 801 I N 1.576 122.012 120.570 -0.225 0.000 2.194 801 I HA -0.171 3.990 4.170 -0.015 0.000 0.246 801 I C -0.598 175.440 176.117 -0.131 0.000 1.093 801 I CA 2.008 63.172 61.300 -0.226 0.000 1.355 801 I CB -2.199 35.543 38.000 -0.430 0.000 1.046 801 I HN 0.110 nan 8.210 nan 0.000 0.413 802 P HA -0.180 nan 4.420 nan 0.000 0.216 802 P C 1.662 178.772 177.300 -0.317 0.000 1.150 802 P CA 1.552 64.499 63.100 -0.255 0.000 0.837 802 P CB -0.201 31.170 31.700 -0.549 0.000 0.786 803 Y N -0.536 119.651 120.300 -0.189 0.000 2.274 803 Y HA -0.095 4.446 4.550 -0.016 0.000 0.290 803 Y C 2.693 178.499 175.900 -0.157 0.000 1.145 803 Y CA 1.542 59.546 58.100 -0.161 0.000 1.203 803 Y CB -1.246 37.128 38.460 -0.143 0.000 0.984 803 Y HN -0.022 nan 8.280 nan 0.000 0.533 804 G N -0.722 108.058 108.800 -0.034 0.000 2.394 804 G HA2 -0.170 3.781 3.960 -0.015 0.000 0.215 804 G HA3 -0.170 3.781 3.960 -0.015 0.000 0.215 804 G C 1.674 176.400 174.900 -0.290 0.000 1.165 804 G CA 1.061 46.072 45.100 -0.147 0.000 0.784 804 G HN 0.256 nan 8.290 nan 0.000 0.535 805 V N 1.347 121.121 119.914 -0.233 0.000 2.594 805 V HA -0.155 3.956 4.120 -0.015 0.000 0.253 805 V C 2.626 178.485 176.094 -0.393 0.000 1.069 805 V CA 2.204 64.323 62.300 -0.301 0.000 1.082 805 V CB -0.370 31.428 31.823 -0.040 0.000 0.680 805 V HN 0.568 nan 8.190 nan 0.000 0.469 806 K N 0.438 120.680 120.400 -0.263 0.000 2.031 806 K HA -0.142 4.169 4.320 -0.015 0.000 0.205 806 K C 2.354 178.812 176.600 -0.238 0.000 1.049 806 K CA 1.172 57.326 56.287 -0.222 0.000 0.939 806 K CB -0.191 32.289 32.500 -0.034 0.000 0.717 806 K HN 0.254 nan 8.250 nan 0.000 0.438 807 R N 0.732 121.102 120.500 -0.216 0.000 2.120 807 R HA -0.065 4.266 4.340 -0.015 0.000 0.234 807 R C 2.410 178.540 176.300 -0.283 0.000 1.123 807 R CA 1.073 57.056 56.100 -0.196 0.000 0.975 807 R CB -0.513 29.679 30.300 -0.180 0.000 0.866 807 R HN 0.316 nan 8.270 nan 0.000 0.446 808 L N 0.807 121.724 121.223 -0.509 0.000 2.093 808 L HA -0.134 4.197 4.340 -0.015 0.000 0.208 808 L C 2.426 179.050 176.870 -0.410 0.000 1.085 808 L CA 1.176 55.557 54.840 -0.765 0.000 0.755 808 L CB -0.286 40.757 42.059 -1.694 0.000 0.904 808 L HN 0.106 nan 8.230 nan 0.000 0.435 809 E N -0.020 119.943 120.200 -0.394 0.000 2.152 809 E HA -0.170 4.170 4.350 -0.015 0.000 0.192 809 E C 1.663 178.210 176.600 -0.089 0.000 0.983 809 E CA 0.934 57.187 56.400 -0.245 0.000 0.818 809 E CB -0.111 29.127 29.700 -0.771 0.000 0.758 809 E HN 0.511 nan 8.360 nan 0.000 0.467 810 D N 0.531 120.879 120.400 -0.086 0.000 2.117 810 D HA -0.149 4.481 4.640 -0.015 0.000 0.197 810 D C 1.792 178.077 176.300 -0.025 0.000 0.987 810 D CA 0.576 54.561 54.000 -0.025 0.000 0.829 810 D CB -0.529 40.260 40.800 -0.020 0.000 0.961 810 D HN 0.129 nan 8.370 nan 0.000 0.460 811 F N 2.196 122.047 119.950 -0.166 0.000 2.091 811 F HA -0.243 4.275 4.527 -0.016 0.000 0.299 811 F C 1.758 177.481 175.800 -0.127 0.000 1.103 811 F CA 1.637 59.527 58.000 -0.183 0.000 1.228 811 F CB -0.038 38.799 39.000 -0.272 0.000 0.984 811 F HN -0.214 nan 8.300 nan 0.000 0.477 812 D N 0.657 121.073 120.400 0.027 0.000 2.092 812 D HA -0.191 4.440 4.640 -0.015 0.000 0.193 812 D C 2.462 178.700 176.300 -0.103 0.000 0.994 812 D CA 1.625 55.618 54.000 -0.013 0.000 0.828 812 D CB -0.970 39.938 40.800 0.180 0.000 0.963 812 D HN 0.394 nan 8.370 nan 0.000 0.450 813 A N 0.797 123.589 122.820 -0.048 0.000 1.896 813 A HA -0.276 4.035 4.320 -0.015 0.000 0.220 813 A C 2.343 179.873 177.584 -0.090 0.000 1.206 813 A CA 3.258 55.275 52.037 -0.034 0.000 0.647 813 A CB -0.980 18.015 19.000 -0.008 0.000 0.828 813 A HN 0.354 nan 8.150 nan 0.000 0.455 814 S N -1.126 114.476 115.700 -0.163 0.000 2.414 814 S HA -0.056 4.405 4.470 -0.015 0.000 0.227 814 S C 1.885 176.348 174.600 -0.228 0.000 1.022 814 S CA 1.215 59.311 58.200 -0.173 0.000 0.958 814 S CB -0.412 62.688 63.200 -0.166 0.000 0.797 814 S HN 0.494 nan 8.310 nan 0.000 0.493 815 L N 1.820 122.814 121.223 -0.382 0.000 2.131 815 L HA 0.117 4.448 4.340 -0.015 0.000 0.210 815 L C 2.412 179.202 176.870 -0.134 0.000 1.092 815 L CA 1.839 56.482 54.840 -0.328 0.000 0.759 815 L CB -0.822 40.938 42.059 -0.500 0.000 0.903 815 L HN 0.321 nan 8.230 nan 0.000 0.435 816 K N -0.600 119.742 120.400 -0.096 0.000 1.985 816 K HA -0.191 4.119 4.320 -0.015 0.000 0.210 816 K C 1.780 178.376 176.600 -0.008 0.000 1.047 816 K CA 1.749 58.021 56.287 -0.025 0.000 0.932 816 K CB -0.264 32.234 32.500 -0.003 0.000 0.716 816 K HN 0.352 nan 8.250 nan 0.000 0.439 817 D N 0.515 120.903 120.400 -0.019 0.000 2.160 817 D HA -0.241 4.390 4.640 -0.015 0.000 0.189 817 D C 1.801 178.110 176.300 0.016 0.000 1.003 817 D CA 1.810 55.808 54.000 -0.004 0.000 0.846 817 D CB -0.414 40.376 40.800 -0.016 0.000 0.949 817 D HN 0.384 nan 8.370 nan 0.000 0.446 818 A N 0.732 123.551 122.820 -0.002 0.000 1.892 818 A HA -0.189 4.121 4.320 -0.015 0.000 0.218 818 A C 2.530 180.158 177.584 0.073 0.000 1.188 818 A CA 1.336 53.389 52.037 0.027 0.000 0.631 818 A CB -0.907 18.087 19.000 -0.010 0.000 0.822 818 A HN 0.251 nan 8.150 nan 0.000 0.447 819 L N -0.881 120.371 121.223 0.049 0.000 2.093 819 L HA -0.127 4.204 4.340 -0.015 0.000 0.208 819 L C 2.527 179.494 176.870 0.161 0.000 1.085 819 L CA 0.886 55.779 54.840 0.089 0.000 0.755 819 L CB -0.361 41.729 42.059 0.052 0.000 0.904 819 L HN 0.392 nan 8.230 nan 0.000 0.435 820 L N -0.342 120.951 121.223 0.115 0.000 2.109 820 L HA -0.198 4.133 4.340 -0.015 0.000 0.207 820 L C 2.592 179.556 176.870 0.157 0.000 1.086 820 L CA 1.090 56.004 54.840 0.123 0.000 0.760 820 L CB -0.452 41.650 42.059 0.073 0.000 0.910 820 L HN 0.244 nan 8.230 nan 0.000 0.437 821 K N -0.363 120.121 120.400 0.140 0.000 2.147 821 K HA -0.246 4.065 4.320 -0.015 0.000 0.205 821 K C 2.241 178.981 176.600 0.234 0.000 1.049 821 K CA 1.339 57.723 56.287 0.161 0.000 0.936 821 K CB -0.185 32.381 32.500 0.110 0.000 0.722 821 K HN 0.114 nan 8.250 nan 0.000 0.446 822 Y N 1.177 121.531 120.300 0.091 0.000 2.163 822 Y HA -0.117 4.424 4.550 -0.015 0.000 0.288 822 Y C 1.740 177.694 175.900 0.091 0.000 1.136 822 Y CA 1.612 59.762 58.100 0.084 0.000 1.147 822 Y CB 0.015 38.519 38.460 0.074 0.000 0.987 822 Y HN -0.000 nan 8.280 nan 0.000 0.509 823 I N -1.272 119.440 120.570 0.237 0.000 2.394 823 I HA -0.311 3.850 4.170 -0.015 0.000 0.251 823 I C 1.978 178.155 176.117 0.100 0.000 1.136 823 I CA 1.318 62.700 61.300 0.137 0.000 1.425 823 I CB -0.466 37.629 38.000 0.158 0.000 1.079 823 I HN 0.257 nan 8.210 nan 0.000 0.425 824 Y N 2.088 122.402 120.300 0.024 0.000 2.109 824 Y HA -0.275 4.266 4.550 -0.016 0.000 0.285 824 Y C 2.197 178.083 175.900 -0.023 0.000 1.131 824 Y CA 1.762 59.865 58.100 0.007 0.000 1.121 824 Y CB -0.272 38.200 38.460 0.019 0.000 0.987 824 Y HN 0.152 nan 8.280 nan 0.000 0.495 825 D N -0.170 120.255 120.400 0.041 0.000 2.263 825 D HA -0.135 4.496 4.640 -0.015 0.000 0.208 825 D C 0.512 176.712 176.300 -0.167 0.000 0.971 825 D CA 1.181 55.136 54.000 -0.075 0.000 0.867 825 D CB -0.372 40.428 40.800 0.001 0.000 0.929 825 D HN 0.408 nan 8.370 nan 0.000 0.492 826 N N -0.084 118.499 118.700 -0.195 0.000 2.389 826 N HA 0.047 4.777 4.740 -0.015 0.000 0.260 826 N C 1.347 176.771 175.510 -0.143 0.000 1.191 826 N CA -0.184 52.748 53.050 -0.196 0.000 0.885 826 N CB 0.421 38.733 38.487 -0.292 0.000 1.162 826 N HN 0.219 nan 8.380 nan 0.000 0.512 827 R N -0.260 120.144 120.500 -0.160 0.000 2.115 827 R HA 0.023 4.354 4.340 -0.015 0.000 0.226 827 R C 1.704 177.945 176.300 -0.099 0.000 1.100 827 R CA 1.411 57.436 56.100 -0.125 0.000 0.980 827 R CB -0.684 29.509 30.300 -0.177 0.000 0.875 827 R HN 0.130 nan 8.270 nan 0.000 0.445 828 G N 1.095 109.828 108.800 -0.112 0.000 2.491 828 G HA2 -0.311 3.640 3.960 -0.015 0.000 0.218 828 G HA3 -0.311 3.640 3.960 -0.015 0.000 0.218 828 G C 1.268 176.135 174.900 -0.056 0.000 1.180 828 G CA 1.561 46.614 45.100 -0.079 0.000 0.774 828 G HN 0.437 nan 8.290 nan 0.000 0.562 829 T N 0.958 115.477 114.554 -0.057 0.000 2.915 829 T HA 0.051 4.391 4.350 -0.015 0.000 0.269 829 T C 1.759 176.443 174.700 -0.026 0.000 1.071 829 T CA 0.587 62.665 62.100 -0.037 0.000 1.132 829 T CB -0.060 68.786 68.868 -0.037 0.000 0.878 829 T HN 0.149 nan 8.240 nan 0.000 0.479 830 L N 1.045 122.249 121.223 -0.031 0.000 2.912 830 L HA 0.436 4.767 4.340 -0.015 0.000 0.240 830 L C 1.675 178.538 176.870 -0.010 0.000 1.262 830 L CA -0.120 54.712 54.840 -0.013 0.000 1.058 830 L CB -0.473 41.582 42.059 -0.007 0.000 1.383 830 L HN 0.167 nan 8.230 nan 0.000 0.512 831 I N 0.750 121.312 120.570 -0.015 0.000 2.185 831 I HA -0.269 3.892 4.170 -0.015 0.000 0.246 831 I C 2.009 178.124 176.117 -0.002 0.000 1.088 831 I CA 1.829 63.121 61.300 -0.013 0.000 1.347 831 I CB 0.190 38.182 38.000 -0.014 0.000 1.041 831 I HN 0.491 nan 8.210 nan 0.000 0.415 832 G N 0.013 108.814 108.800 0.001 0.000 3.181 832 G HA2 -0.009 3.942 3.960 -0.015 0.000 0.219 832 G HA3 -0.009 3.942 3.960 -0.015 0.000 0.219 832 G C 0.856 175.763 174.900 0.012 0.000 1.182 832 G CA 0.338 45.441 45.100 0.006 0.000 0.791 832 G HN 0.682 nan 8.290 nan 0.000 0.537 833 Q N -0.997 118.812 119.800 0.015 0.000 1.870 833 Q HA 0.108 4.439 4.340 -0.015 0.000 0.182 833 Q C 0.976 176.994 176.000 0.031 0.000 0.779 833 Q CA -0.039 55.778 55.803 0.023 0.000 0.912 833 Q CB -0.348 28.405 28.738 0.025 0.000 1.234 833 Q HN 0.128 nan 8.270 nan 0.000 0.404 834 V N 1.532 121.462 119.914 0.028 0.000 2.469 834 V HA -0.254 3.857 4.120 -0.015 0.000 0.251 834 V C 1.594 177.717 176.094 0.047 0.000 1.064 834 V CA 2.481 64.804 62.300 0.039 0.000 1.066 834 V CB -0.371 31.471 31.823 0.032 0.000 0.667 834 V HN 0.325 nan 8.190 nan 0.000 0.461 835 D N -0.101 120.322 120.400 0.039 0.000 2.087 835 D HA -0.134 4.497 4.640 -0.015 0.000 0.201 835 D C 2.249 178.574 176.300 0.041 0.000 0.980 835 D CA 1.225 55.249 54.000 0.040 0.000 0.849 835 D CB -0.432 40.388 40.800 0.033 0.000 1.001 835 D HN 0.227 nan 8.370 nan 0.000 0.452 836 R N 0.331 120.852 120.500 0.035 0.000 2.178 836 R HA -0.202 4.129 4.340 -0.015 0.000 0.257 836 R C 2.368 178.693 176.300 0.041 0.000 1.163 836 R CA 1.247 57.368 56.100 0.034 0.000 0.981 836 R CB -0.322 29.996 30.300 0.030 0.000 0.878 836 R HN 0.200 nan 8.270 nan 0.000 0.454 837 L N -0.145 121.107 121.223 0.049 0.000 2.034 837 L HA -0.095 4.236 4.340 -0.015 0.000 0.203 837 L C 2.508 179.416 176.870 0.065 0.000 1.074 837 L CA 1.113 55.989 54.840 0.061 0.000 0.748 837 L CB -0.474 41.629 42.059 0.074 0.000 0.905 837 L HN 0.081 nan 8.230 nan 0.000 0.439 838 K N 0.304 120.744 120.400 0.067 0.000 2.089 838 K HA -0.235 4.076 4.320 -0.015 0.000 0.210 838 K C 1.672 178.306 176.600 0.056 0.000 1.048 838 K CA 1.896 58.223 56.287 0.067 0.000 0.926 838 K CB -0.317 32.224 32.500 0.067 0.000 0.714 838 K HN 0.389 nan 8.250 nan 0.000 0.448 839 D N 0.380 120.809 120.400 0.049 0.000 2.117 839 D HA -0.147 4.484 4.640 -0.015 0.000 0.198 839 D C 1.823 178.147 176.300 0.041 0.000 0.982 839 D CA 0.903 54.928 54.000 0.042 0.000 0.828 839 D CB -0.082 40.739 40.800 0.036 0.000 0.967 839 D HN 0.197 nan 8.370 nan 0.000 0.464 840 K N 1.085 121.510 120.400 0.042 0.000 2.026 840 K HA -0.115 4.196 4.320 -0.015 0.000 0.208 840 K C 2.106 178.732 176.600 0.043 0.000 1.048 840 K CA 0.855 57.166 56.287 0.040 0.000 0.929 840 K CB -0.053 32.473 32.500 0.043 0.000 0.713 840 K HN -0.076 nan 8.250 nan 0.000 0.439 841 V N 2.137 122.082 119.914 0.052 0.000 2.343 841 V HA -0.239 3.871 4.120 -0.015 0.000 0.247 841 V C 2.050 178.173 176.094 0.047 0.000 1.051 841 V CA 1.829 64.161 62.300 0.053 0.000 1.036 841 V CB -0.558 31.303 31.823 0.063 0.000 0.654 841 V HN 0.395 nan 8.190 nan 0.000 0.451 842 N N 0.474 119.203 118.700 0.048 0.000 2.171 842 N HA -0.111 4.619 4.740 -0.015 0.000 0.184 842 N C 1.701 177.237 175.510 0.044 0.000 1.021 842 N CA 1.496 54.575 53.050 0.048 0.000 0.854 842 N CB -0.548 37.969 38.487 0.050 0.000 0.994 842 N HN 0.508 nan 8.380 nan 0.000 0.426 843 N N -0.210 118.513 118.700 0.038 0.000 2.120 843 N HA -0.068 4.662 4.740 -0.015 0.000 0.188 843 N C 1.608 177.131 175.510 0.022 0.000 1.024 843 N CA 1.561 54.630 53.050 0.030 0.000 0.852 843 N CB -0.277 38.225 38.487 0.026 0.000 1.003 843 N HN 0.180 nan 8.380 nan 0.000 0.424 844 T N 0.291 114.858 114.554 0.022 0.000 2.701 844 T HA -0.032 4.309 4.350 -0.015 0.000 0.263 844 T C 1.349 176.051 174.700 0.004 0.000 1.040 844 T CA 0.811 62.916 62.100 0.009 0.000 1.147 844 T CB -0.157 68.723 68.868 0.019 0.000 0.865 844 T HN 0.030 nan 8.240 nan 0.000 0.426 845 L N 1.037 122.277 121.223 0.028 0.000 2.591 845 L HA 0.274 4.605 4.340 -0.015 0.000 0.228 845 L C 2.120 179.024 176.870 0.057 0.000 1.133 845 L CA 0.858 55.724 54.840 0.044 0.000 0.880 845 L CB -0.461 41.628 42.059 0.050 0.000 1.033 845 L HN 0.103 nan 8.230 nan 0.000 0.450 846 S N -1.232 114.498 115.700 0.051 0.000 2.593 846 S HA 0.061 4.522 4.470 -0.015 0.000 0.217 846 S C 0.798 175.436 174.600 0.063 0.000 0.966 846 S CA 0.476 58.719 58.200 0.070 0.000 0.914 846 S CB -0.270 62.973 63.200 0.071 0.000 0.776 846 S HN 0.551 nan 8.310 nan 0.000 0.523 847 T N -0.291 114.275 114.554 0.019 0.000 3.077 847 T HA 0.312 4.653 4.350 -0.015 0.000 0.359 847 T C -0.943 173.684 174.700 -0.122 0.000 1.108 847 T CA -0.893 61.198 62.100 -0.014 0.000 1.170 847 T CB 0.645 69.502 68.868 -0.019 0.000 1.045 847 T HN -0.066 nan 8.240 nan 0.000 0.505 848 D N 2.376 122.715 120.400 -0.101 0.000 6.321 848 D HA -0.181 4.450 4.640 -0.015 0.000 0.124 848 D C -0.081 175.959 176.300 -0.434 0.000 1.040 848 D CA 0.728 54.592 54.000 -0.226 0.000 0.707 848 D CB 0.151 40.985 40.800 0.057 0.000 1.390 848 D HN 0.697 nan 8.370 nan 0.000 0.789 849 I N 6.080 126.051 120.570 -0.997 0.000 2.379 849 I HA 0.146 4.307 4.170 -0.015 0.000 0.290 849 I C -1.565 174.573 176.117 0.035 0.000 1.063 849 I CA -1.695 59.306 61.300 -0.499 0.000 1.351 849 I CB 0.882 38.492 38.000 -0.650 0.000 1.410 849 I HN 0.296 nan 8.210 nan 0.000 0.505 850 P HA -0.016 nan 4.420 nan 0.000 0.271 850 P C -0.641 176.815 177.300 0.260 0.000 1.216 850 P CA -0.151 63.070 63.100 0.202 0.000 0.776 850 P CB 0.523 32.290 31.700 0.111 0.000 0.881 851 F N 3.002 122.969 119.950 0.029 0.000 2.445 851 F HA 0.208 4.727 4.527 -0.014 0.000 0.359 851 F C 0.109 175.908 175.800 -0.003 0.000 1.101 851 F CA 0.121 57.931 58.000 -0.317 0.000 1.177 851 F CB 0.599 39.305 39.000 -0.490 0.000 1.110 851 F HN 0.241 nan 8.300 nan 0.000 0.522 852 Q N 6.434 125.849 119.800 -0.642 0.000 2.339 852 Q HA 0.228 4.559 4.340 -0.015 0.000 0.268 852 Q C 0.529 175.943 176.000 -0.977 0.000 1.027 852 Q CA -0.627 54.825 55.803 -0.585 0.000 0.759 852 Q CB 1.979 30.547 28.738 -0.283 0.000 1.244 852 Q HN 0.836 nan 8.270 nan 0.000 0.464 853 L N 2.179 122.571 121.223 -1.385 0.000 2.079 853 L HA -0.220 4.110 4.340 -0.015 0.000 0.210 853 L C 2.070 178.667 176.870 -0.454 0.000 1.081 853 L CA 2.479 56.720 54.840 -0.999 0.000 0.752 853 L CB -0.493 40.840 42.059 -1.210 0.000 0.896 853 L HN 0.795 nan 8.230 nan 0.000 0.433 854 S N -1.538 113.932 115.700 -0.382 0.000 2.462 854 S HA -0.265 4.196 4.470 -0.015 0.000 0.243 854 S C 1.957 176.388 174.600 -0.282 0.000 1.003 854 S CA 1.224 59.289 58.200 -0.226 0.000 0.970 854 S CB -0.695 62.417 63.200 -0.148 0.000 0.762 854 S HN 0.524 nan 8.310 nan 0.000 0.510 855 K N -0.417 119.675 120.400 -0.514 0.000 2.439 855 K HA 0.045 4.356 4.320 -0.015 0.000 0.197 855 K C 0.489 176.649 176.600 -0.733 0.000 1.041 855 K CA 1.021 56.859 56.287 -0.747 0.000 0.970 855 K CB -0.052 31.737 32.500 -1.186 0.000 0.773 855 K HN 0.710 nan 8.250 nan 0.000 0.479 856 Y N -1.975 118.288 120.300 -0.061 0.000 2.437 856 Y HA 0.192 4.735 4.550 -0.013 0.000 0.266 856 Y C 0.129 176.064 175.900 0.058 0.000 1.077 856 Y CA -0.594 57.522 58.100 0.026 0.000 1.235 856 Y CB 1.372 39.867 38.460 0.060 0.000 1.303 856 Y HN -0.314 nan 8.280 nan 0.000 0.536 857 V N 0.806 120.795 119.914 0.125 0.000 2.841 857 V HA 0.238 4.349 4.120 -0.015 0.000 0.310 857 V C -0.695 175.430 176.094 0.051 0.000 1.090 857 V CA -0.599 61.777 62.300 0.127 0.000 0.930 857 V CB 2.196 34.122 31.823 0.172 0.000 1.014 857 V HN 0.060 nan 8.190 nan 0.000 0.425 858 D N 1.814 122.249 120.400 0.058 0.000 2.369 858 D HA 0.070 4.701 4.640 -0.015 0.000 0.211 858 D C 0.526 176.835 176.300 0.015 0.000 1.077 858 D CA 0.403 54.417 54.000 0.023 0.000 0.842 858 D CB 0.295 41.108 40.800 0.023 0.000 0.947 858 D HN 0.466 nan 8.370 nan 0.000 0.509 859 N N 1.710 120.427 118.700 0.029 0.000 2.527 859 N HA -0.024 4.707 4.740 -0.015 0.000 0.236 859 N C 0.886 176.409 175.510 0.023 0.000 0.999 859 N CA -0.081 52.979 53.050 0.016 0.000 0.935 859 N CB 1.662 40.151 38.487 0.002 0.000 1.132 859 N HN -0.260 nan 8.380 nan 0.000 0.511 860 Q N 3.413 123.221 119.800 0.014 0.000 2.297 860 Q HA -0.119 4.211 4.340 -0.015 0.000 0.208 860 Q C 1.821 177.844 176.000 0.039 0.000 0.981 860 Q CA 1.582 57.398 55.803 0.023 0.000 0.876 860 Q CB -0.083 28.663 28.738 0.013 0.000 0.921 860 Q HN 0.670 nan 8.270 nan 0.000 0.446 861 R N -0.839 119.682 120.500 0.035 0.000 2.062 861 R HA -0.066 4.265 4.340 -0.015 0.000 0.231 861 R C 2.101 178.447 176.300 0.076 0.000 1.136 861 R CA 1.434 57.561 56.100 0.046 0.000 0.948 861 R CB -0.261 30.055 30.300 0.027 0.000 0.845 861 R HN 0.353 nan 8.270 nan 0.000 0.430 862 L N 0.739 122.014 121.223 0.087 0.000 2.093 862 L HA -0.170 4.161 4.340 -0.015 0.000 0.208 862 L C 2.458 179.424 176.870 0.160 0.000 1.085 862 L CA 0.923 55.851 54.840 0.146 0.000 0.755 862 L CB -0.408 41.767 42.059 0.195 0.000 0.904 862 L HN 0.290 nan 8.230 nan 0.000 0.435 863 L N -0.221 121.071 121.223 0.115 0.000 2.042 863 L HA -0.209 4.121 4.340 -0.015 0.000 0.210 863 L C 2.849 179.826 176.870 0.178 0.000 1.076 863 L CA 1.901 56.815 54.840 0.123 0.000 0.749 863 L CB -0.715 41.380 42.059 0.061 0.000 0.893 863 L HN 0.449 nan 8.230 nan 0.000 0.432 864 S N -2.075 113.700 115.700 0.126 0.000 2.436 864 S HA -0.108 4.353 4.470 -0.015 0.000 0.228 864 S C 1.882 176.558 174.600 0.126 0.000 1.014 864 S CA 1.099 59.365 58.200 0.109 0.000 0.950 864 S CB -0.465 62.777 63.200 0.070 0.000 0.784 864 S HN 0.306 nan 8.310 nan 0.000 0.504 865 T N 2.072 116.715 114.554 0.147 0.000 2.684 865 T HA -0.055 4.285 4.350 -0.015 0.000 0.267 865 T C 1.268 176.094 174.700 0.210 0.000 1.036 865 T CA 1.645 63.842 62.100 0.160 0.000 1.148 865 T CB -0.620 68.344 68.868 0.161 0.000 0.863 865 T HN 0.513 nan 8.240 nan 0.000 0.436 866 F N 1.788 121.787 119.950 0.081 0.000 2.171 866 F HA -0.117 4.401 4.527 -0.015 0.000 0.300 866 F C 2.433 178.303 175.800 0.117 0.000 1.090 866 F CA 1.219 59.269 58.000 0.083 0.000 1.293 866 F CB -0.732 38.287 39.000 0.032 0.000 1.013 866 F HN 0.036 nan 8.300 nan 0.000 0.486 867 T N -0.218 114.389 114.554 0.088 0.000 2.746 867 T HA -0.212 4.129 4.350 -0.015 0.000 0.267 867 T C 1.685 176.347 174.700 -0.063 0.000 1.039 867 T CA 1.728 63.809 62.100 -0.032 0.000 1.142 867 T CB -0.274 68.629 68.868 0.057 0.000 0.866 867 T HN 0.234 nan 8.240 nan 0.000 0.444 868 E N 0.103 120.308 120.200 0.008 0.000 2.107 868 E HA -0.061 4.279 4.350 -0.015 0.000 0.191 868 E C 1.719 178.316 176.600 -0.004 0.000 0.982 868 E CA 0.845 57.249 56.400 0.005 0.000 0.809 868 E CB -0.386 29.337 29.700 0.039 0.000 0.756 868 E HN 0.653 nan 8.360 nan 0.000 0.459 869 Y N 0.371 120.605 120.300 -0.111 0.000 2.145 869 Y HA -0.159 4.382 4.550 -0.015 0.000 0.286 869 Y C 1.921 177.714 175.900 -0.179 0.000 1.145 869 Y CA 1.901 59.929 58.100 -0.119 0.000 1.148 869 Y CB -0.097 38.304 38.460 -0.098 0.000 0.981 869 Y HN 0.046 nan 8.280 nan 0.000 0.507 870 I N 0.205 120.695 120.570 -0.133 0.000 2.286 870 I HA -0.318 3.843 4.170 -0.015 0.000 0.248 870 I C 2.474 178.491 176.117 -0.167 0.000 1.115 870 I CA 1.474 62.656 61.300 -0.197 0.000 1.392 870 I CB -0.455 37.362 38.000 -0.305 0.000 1.065 870 I HN 0.197 nan 8.210 nan 0.000 0.418 871 K N 0.735 121.049 120.400 -0.143 0.000 2.173 871 K HA -0.221 4.090 4.320 -0.015 0.000 0.207 871 K C 0.914 177.440 176.600 -0.125 0.000 1.046 871 K CA 1.092 57.311 56.287 -0.113 0.000 0.929 871 K CB -0.084 32.366 32.500 -0.084 0.000 0.720 871 K HN 0.143 nan 8.250 nan 0.000 0.453 872 N N 0.925 119.529 118.700 -0.161 0.000 2.439 872 N HA 0.045 4.776 4.740 -0.015 0.000 0.249 872 N C 0.910 176.325 175.510 -0.159 0.000 1.003 872 N CA -0.153 52.802 53.050 -0.159 0.000 0.942 872 N CB 0.708 39.089 38.487 -0.177 0.000 1.115 872 N HN 0.102 nan 8.380 nan 0.000 0.505 873 I N 2.035 122.531 120.570 -0.124 0.000 2.335 873 I HA -0.208 3.952 4.170 -0.015 0.000 0.251 873 I C 2.057 178.187 176.117 0.023 0.000 1.129 873 I CA 0.935 62.175 61.300 -0.100 0.000 1.402 873 I CB -0.245 37.627 38.000 -0.213 0.000 1.069 873 I HN 0.432 nan 8.210 nan 0.000 0.424 874 I N 2.143 122.728 120.570 0.026 0.000 2.335 874 I HA -0.296 3.865 4.170 -0.015 0.000 0.251 874 I C 2.156 178.259 176.117 -0.023 0.000 1.129 874 I CA 1.583 62.936 61.300 0.090 0.000 1.402 874 I CB -0.360 37.643 38.000 0.004 0.000 1.069 874 I HN 0.282 nan 8.210 nan 0.000 0.424 875 N N 0.006 118.608 118.700 -0.163 0.000 2.381 875 N HA -0.148 4.583 4.740 -0.015 0.000 0.182 875 N C 1.796 177.246 175.510 -0.100 0.000 1.025 875 N CA 1.775 54.653 53.050 -0.288 0.000 0.888 875 N CB -0.602 37.355 38.487 -0.882 0.000 0.965 875 N HN 0.538 nan 8.380 nan 0.000 0.438 876 T N -2.006 112.539 114.554 -0.016 0.000 3.100 876 T HA 0.053 4.394 4.350 -0.015 0.000 0.253 876 T C 0.882 175.631 174.700 0.082 0.000 1.118 876 T CA -0.241 61.908 62.100 0.082 0.000 1.058 876 T CB -0.292 68.635 68.868 0.098 0.000 0.953 876 T HN 0.146 nan 8.240 nan 0.000 0.515 877 S N 1.955 117.679 115.700 0.039 0.000 2.573 877 S HA 0.222 4.683 4.470 -0.015 0.000 0.277 877 S C 1.265 175.652 174.600 -0.355 0.000 1.346 877 S CA -0.469 57.619 58.200 -0.187 0.000 1.034 877 S CB 0.111 63.039 63.200 -0.453 0.000 0.879 877 S HN 0.608 nan 8.310 nan 0.000 0.528 878 I N -1.344 118.970 120.570 -0.426 0.000 3.883 878 I HA 0.506 4.667 4.170 -0.015 0.000 0.326 878 I C -0.480 175.346 176.117 -0.484 0.000 1.283 878 I CA -0.080 60.767 61.300 -0.755 0.000 1.161 878 I CB 0.001 37.744 38.000 -0.429 0.000 1.012 878 I HN 0.408 nan 8.210 nan 0.000 0.421 879 L N 1.714 122.769 121.223 -0.281 0.000 2.565 879 L HA 0.516 4.847 4.340 -0.015 0.000 0.261 879 L C -1.513 175.302 176.870 -0.091 0.000 0.932 879 L CA -0.241 54.562 54.840 -0.062 0.000 0.878 879 L CB 1.955 44.120 42.059 0.178 0.000 1.333 879 L HN 0.110 nan 8.230 nan 0.000 0.409 880 N N 4.002 122.699 118.700 -0.005 0.000 2.722 880 N HA 0.330 5.061 4.740 -0.015 0.000 0.242 880 N C -1.819 173.739 175.510 0.080 0.000 1.398 880 N CA -0.335 52.713 53.050 -0.004 0.000 0.755 880 N CB 0.491 38.942 38.487 -0.060 0.000 1.268 880 N HN 0.373 nan 8.380 nan 0.000 0.522 881 L N 2.514 123.846 121.223 0.181 0.000 2.360 881 L HA 0.476 4.807 4.340 -0.015 0.000 0.276 881 L C 0.209 177.197 176.870 0.196 0.000 1.121 881 L CA 0.418 55.370 54.840 0.187 0.000 0.845 881 L CB 0.192 42.392 42.059 0.235 0.000 1.143 881 L HN 0.297 nan 8.230 nan 0.000 0.452 882 R N 2.965 123.557 120.500 0.152 0.000 2.668 882 R HA 0.235 4.566 4.340 -0.015 0.000 0.272 882 R C -1.453 174.954 176.300 0.179 0.000 1.019 882 R CA -0.830 55.387 56.100 0.195 0.000 0.894 882 R CB 1.283 31.666 30.300 0.137 0.000 1.228 882 R HN 0.389 nan 8.270 nan 0.000 0.460 883 Y N 2.122 122.479 120.300 0.095 0.000 2.404 883 Y HA 0.206 4.747 4.550 -0.015 0.000 0.344 883 Y C -0.278 175.654 175.900 0.053 0.000 0.995 883 Y CA 0.456 58.578 58.100 0.036 0.000 1.201 883 Y CB 0.731 39.191 38.460 0.001 0.000 1.151 883 Y HN 0.300 nan 8.280 nan 0.000 0.517 884 E N 2.586 122.729 120.200 -0.095 0.000 2.317 884 E HA 0.207 4.548 4.350 -0.015 0.000 0.270 884 E C -0.388 176.205 176.600 -0.011 0.000 0.885 884 E CA -0.610 55.804 56.400 0.022 0.000 0.760 884 E CB 1.780 31.523 29.700 0.072 0.000 1.227 884 E HN 0.647 nan 8.360 nan 0.000 0.434 885 S N 2.727 118.456 115.700 0.048 0.000 3.237 885 S HA -0.269 4.192 4.470 -0.015 0.000 0.329 885 S C 0.512 175.066 174.600 -0.076 0.000 0.881 885 S CA 0.932 59.145 58.200 0.021 0.000 1.297 885 S CB -1.187 62.040 63.200 0.045 0.000 0.866 885 S HN 0.723 nan 8.310 nan 0.000 0.473 886 N N -0.895 117.581 118.700 -0.373 0.000 3.002 886 N HA -0.151 4.580 4.740 -0.015 0.000 0.229 886 N C -0.464 174.455 175.510 -0.985 0.000 0.927 886 N CA 1.629 54.356 53.050 -0.539 0.000 0.980 886 N CB -0.945 37.350 38.487 -0.320 0.000 1.077 886 N HN 0.881 nan 8.380 nan 0.000 0.572 887 H N -0.524 118.172 119.070 -0.622 0.000 2.894 887 H HA 0.607 5.154 4.556 -0.015 0.000 0.368 887 H C -0.418 174.542 175.328 -0.613 0.000 1.181 887 H CA -0.698 55.064 56.048 -0.476 0.000 1.146 887 H CB 1.281 31.013 29.762 -0.051 0.000 1.839 887 H HN 0.003 nan 8.280 nan 0.000 0.557 888 L N 3.293 124.415 121.223 -0.168 0.000 2.281 888 L HA 0.435 4.766 4.340 -0.015 0.000 0.285 888 L C -0.655 176.208 176.870 -0.011 0.000 1.074 888 L CA -0.079 54.756 54.840 -0.008 0.000 0.817 888 L CB -0.439 41.725 42.059 0.175 0.000 1.168 888 L HN 0.635 nan 8.230 nan 0.000 0.434 889 I N 0.464 121.002 120.570 -0.053 0.000 3.042 889 I HA 0.572 4.733 4.170 -0.015 0.000 0.310 889 I C -1.268 174.814 176.117 -0.059 0.000 1.117 889 I CA -0.955 60.266 61.300 -0.132 0.000 1.003 889 I CB 2.188 39.968 38.000 -0.366 0.000 1.228 889 I HN 0.476 nan 8.210 nan 0.000 0.443 890 D N 3.311 123.677 120.400 -0.057 0.000 2.359 890 D HA 0.372 5.003 4.640 -0.015 0.000 0.230 890 D C 0.504 176.790 176.300 -0.025 0.000 1.118 890 D CA -0.323 53.677 54.000 0.000 0.000 0.844 890 D CB 1.210 42.037 40.800 0.046 0.000 1.059 890 D HN 0.644 nan 8.370 nan 0.000 0.493 891 L N 2.502 123.714 121.223 -0.017 0.000 2.395 891 L HA -0.048 4.283 4.340 -0.015 0.000 0.218 891 L C 2.052 178.927 176.870 0.007 0.000 1.130 891 L CA 0.598 55.426 54.840 -0.021 0.000 0.826 891 L CB -0.195 41.854 42.059 -0.018 0.000 0.941 891 L HN 0.420 nan 8.230 nan 0.000 0.451 892 S N -0.954 114.749 115.700 0.005 0.000 2.561 892 S HA -0.029 4.432 4.470 -0.015 0.000 0.225 892 S C 0.859 175.573 174.600 0.191 0.000 0.977 892 S CA -0.314 57.903 58.200 0.028 0.000 0.926 892 S CB -0.004 63.099 63.200 -0.161 0.000 0.769 892 S HN 0.380 nan 8.310 nan 0.000 0.533 893 R N -0.933 119.653 120.500 0.144 0.000 3.651 893 R HA -0.184 4.147 4.340 -0.015 0.000 0.292 893 R C -0.697 175.729 176.300 0.210 0.000 1.161 893 R CA 0.943 57.125 56.100 0.136 0.000 0.787 893 R CB -3.111 27.239 30.300 0.084 0.000 1.249 893 R HN 0.573 nan 8.270 nan 0.000 0.476 894 Y N -0.597 119.689 120.300 -0.024 0.000 2.535 894 Y HA 0.405 4.945 4.550 -0.016 0.000 0.266 894 Y C 1.722 177.621 175.900 -0.000 0.000 1.088 894 Y CA 0.067 58.148 58.100 -0.032 0.000 1.285 894 Y CB 0.450 38.898 38.460 -0.020 0.000 1.166 894 Y HN 0.308 nan 8.280 nan 0.000 0.525 895 A N 0.016 122.940 122.820 0.173 0.000 2.450 895 A HA 0.270 4.581 4.320 -0.015 0.000 0.255 895 A C 1.609 179.239 177.584 0.078 0.000 1.096 895 A CA 0.671 52.780 52.037 0.120 0.000 0.778 895 A CB 0.298 19.359 19.000 0.103 0.000 1.031 895 A HN 0.280 nan 8.150 nan 0.000 0.494 896 S N 1.552 117.292 115.700 0.068 0.000 2.436 896 S HA 0.064 4.525 4.470 -0.015 0.000 0.228 896 S C 0.679 175.307 174.600 0.046 0.000 1.014 896 S CA 1.375 59.606 58.200 0.051 0.000 0.950 896 S CB -0.267 62.961 63.200 0.047 0.000 0.784 896 S HN 0.787 nan 8.310 nan 0.000 0.504 897 K N -0.284 120.148 120.400 0.053 0.000 2.610 897 K HA 0.439 4.750 4.320 -0.015 0.000 0.267 897 K C -2.176 174.462 176.600 0.062 0.000 0.943 897 K CA -0.380 55.937 56.287 0.049 0.000 0.862 897 K CB 1.178 33.706 32.500 0.047 0.000 1.376 897 K HN 0.198 nan 8.250 nan 0.000 0.412 898 I N 3.987 124.593 120.570 0.061 0.000 2.495 898 I HA 0.279 4.440 4.170 -0.015 0.000 0.277 898 I C -0.897 175.272 176.117 0.087 0.000 1.045 898 I CA -0.956 60.390 61.300 0.077 0.000 1.135 898 I CB 1.457 39.499 38.000 0.069 0.000 1.241 898 I HN 0.414 nan 8.210 nan 0.000 0.469 899 N N 7.608 126.361 118.700 0.089 0.000 2.419 899 N HA 0.470 5.201 4.740 -0.015 0.000 0.264 899 N C -0.571 175.003 175.510 0.107 0.000 1.031 899 N CA -0.173 52.932 53.050 0.091 0.000 0.951 899 N CB 2.014 40.546 38.487 0.074 0.000 1.101 899 N HN 0.468 nan 8.380 nan 0.000 0.488 900 I N 0.978 121.625 120.570 0.128 0.000 2.330 900 I HA 0.264 4.425 4.170 -0.015 0.000 0.289 900 I C 1.229 177.422 176.117 0.126 0.000 1.001 900 I CA -0.744 60.649 61.300 0.155 0.000 1.193 900 I CB 1.333 39.479 38.000 0.245 0.000 1.345 900 I HN 0.374 nan 8.210 nan 0.000 0.461 901 G N 3.054 111.912 108.800 0.097 0.000 2.491 901 G HA2 0.043 3.994 3.960 -0.015 0.000 0.238 901 G HA3 0.043 3.994 3.960 -0.015 0.000 0.238 901 G C 0.971 175.920 174.900 0.082 0.000 1.277 901 G CA -0.068 45.078 45.100 0.076 0.000 0.851 901 G HN 0.678 nan 8.290 nan 0.000 0.573 902 S N 0.812 116.553 115.700 0.069 0.000 2.380 902 S HA -0.135 4.325 4.470 -0.015 0.000 0.229 902 S C 1.623 176.258 174.600 0.059 0.000 1.043 902 S CA 1.411 59.651 58.200 0.065 0.000 1.038 902 S CB -0.149 63.077 63.200 0.044 0.000 0.872 902 S HN 0.437 nan 8.310 nan 0.000 0.456 903 K N 1.834 122.262 120.400 0.046 0.000 3.101 903 K HA 0.352 4.663 4.320 -0.015 0.000 0.229 903 K C -0.787 175.871 176.600 0.098 0.000 1.232 903 K CA -0.118 56.196 56.287 0.044 0.000 1.210 903 K CB 0.399 32.898 32.500 -0.002 0.000 1.284 903 K HN 0.228 nan 8.250 nan 0.000 0.448 904 V N 1.213 121.148 119.914 0.034 0.000 2.617 904 V HA 0.261 4.372 4.120 -0.015 0.000 0.298 904 V C -0.030 175.952 176.094 -0.186 0.000 1.048 904 V CA -0.959 61.274 62.300 -0.112 0.000 0.964 904 V CB 1.651 33.346 31.823 -0.213 0.000 1.004 904 V HN 0.359 nan 8.190 nan 0.000 0.466 905 N N 2.099 120.591 118.700 -0.347 0.000 2.346 905 N HA 0.530 5.261 4.740 -0.015 0.000 0.289 905 N C -1.472 173.781 175.510 -0.428 0.000 1.027 905 N CA -0.444 52.455 53.050 -0.251 0.000 0.864 905 N CB 1.131 39.596 38.487 -0.038 0.000 1.370 905 N HN 0.387 nan 8.380 nan 0.000 0.481 906 F N 1.130 121.100 119.950 0.033 0.000 2.415 906 F HA 0.243 4.761 4.527 -0.015 0.000 0.348 906 F C 0.717 176.559 175.800 0.070 0.000 1.119 906 F CA -0.865 57.141 58.000 0.009 0.000 1.069 906 F CB 0.910 39.807 39.000 -0.171 0.000 1.124 906 F HN 0.391 nan 8.300 nan 0.000 0.472 907 D N 5.629 126.220 120.400 0.317 0.000 2.502 907 D HA -0.002 4.629 4.640 -0.015 0.000 0.249 907 D C -1.592 174.766 176.300 0.096 0.000 1.188 907 D CA -1.514 52.614 54.000 0.215 0.000 0.890 907 D CB 1.162 41.996 40.800 0.056 0.000 1.140 907 D HN 0.205 nan 8.370 nan 0.000 0.505 908 P HA -0.157 nan 4.420 nan 0.000 0.218 908 P C 1.435 178.763 177.300 0.047 0.000 1.146 908 P CA 0.657 63.796 63.100 0.065 0.000 0.813 908 P CB 0.299 32.044 31.700 0.075 0.000 0.778 909 I N -1.289 119.311 120.570 0.048 0.000 2.480 909 I HA -0.016 4.145 4.170 -0.015 0.000 0.251 909 I C 0.507 176.675 176.117 0.085 0.000 1.124 909 I CA 1.345 62.687 61.300 0.070 0.000 1.444 909 I CB -0.851 37.199 38.000 0.083 0.000 1.098 909 I HN 0.016 nan 8.210 nan 0.000 0.428 910 D N 0.476 120.887 120.400 0.018 0.000 2.328 910 D HA 0.119 4.750 4.640 -0.015 0.000 0.243 910 D C 0.710 176.965 176.300 -0.075 0.000 1.324 910 D CA -0.161 53.836 54.000 -0.006 0.000 0.966 910 D CB 0.790 41.501 40.800 -0.149 0.000 1.324 910 D HN -0.163 nan 8.370 nan 0.000 0.549 911 K N 1.443 121.768 120.400 -0.124 0.000 2.504 911 K HA 0.014 4.325 4.320 -0.015 0.000 0.195 911 K C 1.046 177.523 176.600 -0.205 0.000 1.036 911 K CA 0.063 56.146 56.287 -0.340 0.000 0.984 911 K CB 0.197 32.099 32.500 -0.997 0.000 0.788 911 K HN 0.449 nan 8.250 nan 0.000 0.488 912 N N 1.554 120.226 118.700 -0.047 0.000 2.453 912 N HA -0.102 4.629 4.740 -0.015 0.000 0.183 912 N C 0.105 175.609 175.510 -0.011 0.000 1.041 912 N CA 0.675 53.739 53.050 0.025 0.000 0.900 912 N CB 0.195 38.655 38.487 -0.044 0.000 0.961 912 N HN 0.398 nan 8.380 nan 0.000 0.443 913 Q N 0.778 120.574 119.800 -0.007 0.000 2.307 913 Q HA 0.350 4.680 4.340 -0.015 0.000 0.259 913 Q C -0.562 175.699 176.000 0.435 0.000 0.998 913 Q CA 0.159 56.083 55.803 0.202 0.000 0.923 913 Q CB 1.233 30.029 28.738 0.096 0.000 1.196 913 Q HN 0.161 nan 8.270 nan 0.000 0.416 914 I N 2.453 123.265 120.570 0.405 0.000 2.362 914 I HA 0.188 4.349 4.170 -0.015 0.000 0.289 914 I C -0.244 175.764 176.117 -0.181 0.000 0.994 914 I CA -0.560 60.751 61.300 0.020 0.000 1.158 914 I CB 1.695 39.651 38.000 -0.074 0.000 1.315 914 I HN 0.475 nan 8.210 nan 0.000 0.451 915 Q N 6.934 126.284 119.800 -0.750 0.000 2.303 915 Q HA 0.601 4.932 4.340 -0.015 0.000 0.257 915 Q C -1.596 173.828 176.000 -0.960 0.000 0.941 915 Q CA -0.574 54.418 55.803 -1.350 0.000 0.931 915 Q CB 1.201 28.681 28.738 -2.096 0.000 1.215 915 Q HN 0.604 nan 8.270 nan 0.000 0.437 916 L N 4.801 125.586 121.223 -0.730 0.000 2.305 916 L HA 0.520 4.850 4.340 -0.015 0.000 0.284 916 L C -0.829 175.787 176.870 -0.423 0.000 1.013 916 L CA -0.652 53.923 54.840 -0.442 0.000 0.819 916 L CB 0.852 42.814 42.059 -0.161 0.000 1.227 916 L HN 0.593 nan 8.230 nan 0.000 0.417 917 F N 0.498 120.395 119.950 -0.089 0.000 2.411 917 F HA 0.279 4.797 4.527 -0.015 0.000 0.324 917 F C 1.239 177.028 175.800 -0.020 0.000 1.086 917 F CA -0.734 57.254 58.000 -0.020 0.000 1.028 917 F CB 0.478 39.447 39.000 -0.052 0.000 1.284 917 F HN 0.413 nan 8.300 nan 0.000 0.501 918 N N 1.893 120.705 118.700 0.188 0.000 3.167 918 N HA 0.163 4.894 4.740 -0.015 0.000 0.318 918 N C -1.350 174.185 175.510 0.042 0.000 1.268 918 N CA 0.339 53.425 53.050 0.060 0.000 1.197 918 N CB -0.882 37.597 38.487 -0.013 0.000 1.464 918 N HN 0.432 nan 8.380 nan 0.000 0.555 919 L N -0.300 120.964 121.223 0.068 0.000 2.333 919 L HA 0.386 4.717 4.340 -0.015 0.000 0.263 919 L C 1.189 178.078 176.870 0.032 0.000 1.014 919 L CA -0.715 54.139 54.840 0.025 0.000 0.820 919 L CB 1.953 44.016 42.059 0.007 0.000 1.352 919 L HN 0.040 nan 8.230 nan 0.000 0.421 920 E N -0.127 120.081 120.200 0.014 0.000 2.478 920 E HA -0.064 4.276 4.350 -0.015 0.000 0.194 920 E C 1.149 177.763 176.600 0.023 0.000 1.045 920 E CA 0.681 57.090 56.400 0.016 0.000 0.868 920 E CB 0.348 30.051 29.700 0.006 0.000 0.885 920 E HN 0.673 nan 8.360 nan 0.000 0.505 921 S N -0.763 114.951 115.700 0.025 0.000 2.556 921 S HA 0.091 4.552 4.470 -0.015 0.000 0.216 921 S C 1.069 175.696 174.600 0.045 0.000 0.970 921 S CA -0.459 57.760 58.200 0.030 0.000 0.912 921 S CB 0.695 63.907 63.200 0.020 0.000 0.790 921 S HN -0.086 nan 8.310 nan 0.000 0.504 922 S N 2.544 118.280 115.700 0.061 0.000 3.489 922 S HA 0.437 4.898 4.470 -0.015 0.000 0.227 922 S C -0.437 174.191 174.600 0.046 0.000 1.360 922 S CA -0.764 57.481 58.200 0.076 0.000 0.934 922 S CB -0.681 62.622 63.200 0.172 0.000 1.410 922 S HN 0.714 nan 8.310 nan 0.000 0.483 923 K N 1.826 122.251 120.400 0.043 0.000 2.536 923 K HA 0.713 5.024 4.320 -0.015 0.000 0.269 923 K C -1.404 175.239 176.600 0.072 0.000 0.965 923 K CA -0.976 55.348 56.287 0.060 0.000 0.860 923 K CB 1.270 33.805 32.500 0.059 0.000 1.423 923 K HN 0.243 nan 8.250 nan 0.000 0.438 924 I N 0.738 121.380 120.570 0.119 0.000 2.534 924 I HA 0.289 4.450 4.170 -0.015 0.000 0.288 924 I C -1.138 175.108 176.117 0.215 0.000 1.077 924 I CA -0.595 60.779 61.300 0.123 0.000 1.051 924 I CB 2.247 40.258 38.000 0.017 0.000 1.234 924 I HN 0.734 nan 8.210 nan 0.000 0.425 925 E N 5.879 126.170 120.200 0.152 0.000 2.176 925 E HA 0.591 4.932 4.350 -0.015 0.000 0.267 925 E C -1.704 174.977 176.600 0.135 0.000 0.893 925 E CA -0.607 55.875 56.400 0.136 0.000 0.761 925 E CB 2.165 31.910 29.700 0.075 0.000 1.133 925 E HN 0.358 nan 8.360 nan 0.000 0.409 926 V N 6.256 126.264 119.914 0.158 0.000 2.459 926 V HA 0.447 4.558 4.120 -0.015 0.000 0.295 926 V C -0.092 176.068 176.094 0.109 0.000 1.029 926 V CA -0.601 61.788 62.300 0.148 0.000 0.874 926 V CB 1.553 33.507 31.823 0.218 0.000 0.985 926 V HN 0.647 nan 8.190 nan 0.000 0.438 927 I N 5.455 126.082 120.570 0.094 0.000 2.439 927 I HA 0.335 4.496 4.170 -0.015 0.000 0.285 927 I C -0.931 175.236 176.117 0.083 0.000 1.021 927 I CA -0.748 60.597 61.300 0.075 0.000 1.091 927 I CB 1.817 39.849 38.000 0.055 0.000 1.242 927 I HN 0.326 nan 8.210 nan 0.000 0.439 928 L N 6.170 127.446 121.223 0.089 0.000 2.439 928 L HA 0.218 4.549 4.340 -0.015 0.000 0.269 928 L C 0.612 177.512 176.870 0.050 0.000 1.179 928 L CA -0.126 54.768 54.840 0.090 0.000 0.828 928 L CB -0.038 42.083 42.059 0.104 0.000 1.106 928 L HN 0.426 nan 8.230 nan 0.000 0.467 929 K N 2.454 122.875 120.400 0.035 0.000 2.484 929 K HA -0.035 4.276 4.320 -0.015 0.000 0.280 929 K C 0.952 177.552 176.600 0.001 0.000 1.013 929 K CA -0.131 56.165 56.287 0.015 0.000 1.029 929 K CB 0.380 32.874 32.500 -0.011 0.000 0.902 929 K HN 0.438 nan 8.250 nan 0.000 0.481 930 N N 2.147 120.857 118.700 0.017 0.000 2.104 930 N HA -0.188 4.543 4.740 -0.015 0.000 0.190 930 N C 1.284 176.803 175.510 0.015 0.000 1.024 930 N CA 1.455 54.513 53.050 0.013 0.000 0.853 930 N CB -0.228 38.271 38.487 0.020 0.000 1.008 930 N HN 0.661 nan 8.380 nan 0.000 0.424 931 A N -0.381 122.465 122.820 0.044 0.000 2.252 931 A HA 0.112 4.423 4.320 -0.015 0.000 0.207 931 A C 1.842 179.429 177.584 0.006 0.000 1.194 931 A CA 0.345 52.432 52.037 0.085 0.000 0.809 931 A CB -0.225 18.898 19.000 0.206 0.000 0.814 931 A HN 0.284 nan 8.150 nan 0.000 0.482 932 I N -1.025 119.484 120.570 -0.102 0.000 4.526 932 I HA 0.115 4.276 4.170 -0.015 0.000 0.330 932 I C 0.241 176.328 176.117 -0.049 0.000 1.323 932 I CA 0.187 61.341 61.300 -0.243 0.000 1.218 932 I CB 1.332 39.040 38.000 -0.488 0.000 1.233 932 I HN 0.131 nan 8.210 nan 0.000 0.430 933 V N -0.276 119.624 119.914 -0.023 0.000 2.743 933 V HA 0.540 4.651 4.120 -0.015 0.000 0.301 933 V C -0.630 175.470 176.094 0.010 0.000 1.057 933 V CA -0.347 61.904 62.300 -0.082 0.000 1.006 933 V CB 0.798 32.547 31.823 -0.122 0.000 1.024 933 V HN 0.270 nan 8.190 nan 0.000 0.473 934 Y N 0.412 120.642 120.300 -0.118 0.000 2.615 934 Y HA 0.640 5.181 4.550 -0.014 0.000 0.341 934 Y C 0.726 176.535 175.900 -0.151 0.000 1.089 934 Y CA -1.277 56.758 58.100 -0.109 0.000 1.049 934 Y CB 0.839 39.257 38.460 -0.071 0.000 1.296 934 Y HN 0.347 nan 8.280 nan 0.000 0.470 935 N N 0.318 119.030 118.700 0.020 0.000 2.289 935 N HA -0.118 4.612 4.740 -0.015 0.000 0.184 935 N C 1.047 176.509 175.510 -0.079 0.000 1.016 935 N CA 1.649 54.645 53.050 -0.090 0.000 0.872 935 N CB -0.172 38.291 38.487 -0.039 0.000 0.973 935 N HN 0.714 nan 8.380 nan 0.000 0.433 936 S N -0.067 115.677 115.700 0.074 0.000 2.582 936 S HA 0.119 4.580 4.470 -0.015 0.000 0.234 936 S C 1.553 176.172 174.600 0.031 0.000 0.961 936 S CA -0.457 57.806 58.200 0.104 0.000 0.953 936 S CB -0.399 62.925 63.200 0.205 0.000 0.800 936 S HN 0.340 nan 8.310 nan 0.000 0.471 937 M N -0.872 118.476 119.600 -0.419 0.000 2.476 937 M HA 0.162 4.632 4.480 -0.015 0.000 0.262 937 M C -0.248 175.794 176.300 -0.430 0.000 1.079 937 M CA 1.069 55.996 55.300 -0.622 0.000 1.104 937 M CB -0.798 31.043 32.600 -1.264 0.000 1.409 937 M HN 0.231 nan 8.290 nan 0.000 0.467 938 Y N 1.655 121.794 120.300 -0.269 0.000 2.813 938 Y HA 0.417 4.958 4.550 -0.015 0.000 0.378 938 Y C 0.826 176.694 175.900 -0.054 0.000 1.023 938 Y CA -0.772 56.966 58.100 -0.604 0.000 1.567 938 Y CB -0.458 37.573 38.460 -0.715 0.000 1.492 938 Y HN 0.385 nan 8.280 nan 0.000 0.533 939 E N -0.237 120.123 120.200 0.266 0.000 2.354 939 E HA 0.128 4.469 4.350 -0.015 0.000 0.203 939 E C -0.338 176.463 176.600 0.335 0.000 0.841 939 E CA 0.220 56.796 56.400 0.293 0.000 1.046 939 E CB 0.444 30.263 29.700 0.199 0.000 1.040 939 E HN 0.239 nan 8.360 nan 0.000 0.504 940 N N 0.837 119.734 118.700 0.330 0.000 2.483 940 N HA 0.391 5.122 4.740 -0.015 0.000 0.267 940 N C -1.111 174.645 175.510 0.410 0.000 0.998 940 N CA -0.397 52.833 53.050 0.300 0.000 0.918 940 N CB 0.990 39.586 38.487 0.182 0.000 1.215 940 N HN 0.096 nan 8.380 nan 0.000 0.500 941 F N -1.104 118.908 119.950 0.103 0.000 2.773 941 F HA 0.820 5.338 4.527 -0.016 0.000 0.314 941 F C -1.303 174.502 175.800 0.009 0.000 1.160 941 F CA -0.755 57.311 58.000 0.110 0.000 0.920 941 F CB 1.132 40.258 39.000 0.210 0.000 1.323 941 F HN 0.180 nan 8.300 nan 0.000 0.457 942 S N 0.236 115.795 115.700 -0.233 0.000 2.607 942 S HA 0.749 5.210 4.470 -0.015 0.000 0.273 942 S C -1.377 173.114 174.600 -0.182 0.000 1.148 942 S CA -0.678 57.267 58.200 -0.424 0.000 0.833 942 S CB 1.980 65.047 63.200 -0.222 0.000 1.130 942 S HN 0.966 nan 8.310 nan 0.000 0.470 943 T N 0.835 115.186 114.554 -0.338 0.000 2.916 943 T HA 0.768 5.109 4.350 -0.015 0.000 0.305 943 T C -1.356 173.197 174.700 -0.245 0.000 1.119 943 T CA -0.396 61.561 62.100 -0.238 0.000 1.008 943 T CB 1.226 69.980 68.868 -0.190 0.000 1.129 943 T HN 0.868 nan 8.240 nan 0.000 0.480 944 S N 2.809 118.394 115.700 -0.190 0.000 2.595 944 S HA 0.978 5.439 4.470 -0.015 0.000 0.281 944 S C -1.133 173.495 174.600 0.046 0.000 1.117 944 S CA -0.823 57.233 58.200 -0.240 0.000 0.873 944 S CB 1.557 64.723 63.200 -0.056 0.000 1.108 944 S HN 1.093 nan 8.310 nan 0.000 0.477 945 F N -2.902 117.073 119.950 0.041 0.000 2.770 945 F HA 0.802 5.320 4.527 -0.015 0.000 0.313 945 F C -2.258 173.745 175.800 0.338 0.000 1.154 945 F CA -1.627 56.583 58.000 0.350 0.000 0.923 945 F CB 0.296 39.607 39.000 0.518 0.000 1.301 945 F HN 0.641 nan 8.300 nan 0.000 0.449 946 W N 2.479 124.169 121.300 0.651 0.000 2.512 946 W HA 0.803 5.454 4.660 -0.015 0.000 0.335 946 W C -0.723 176.305 176.519 0.849 0.000 1.088 946 W CA -0.879 56.835 57.345 0.615 0.000 1.236 946 W CB 1.663 31.348 29.460 0.375 0.000 1.307 946 W HN 0.680 nan 8.180 nan 0.000 0.567 947 I N 1.764 122.934 120.570 1.000 0.000 2.802 947 I HA 0.464 4.625 4.170 -0.015 0.000 0.298 947 I C -0.974 175.320 176.117 0.295 0.000 1.176 947 I CA -1.291 60.434 61.300 0.709 0.000 1.025 947 I CB 1.758 40.117 38.000 0.598 0.000 1.243 947 I HN 0.380 nan 8.210 nan 0.000 0.424 948 R N 7.155 127.551 120.500 -0.174 0.000 2.388 948 R HA 0.596 4.927 4.340 -0.015 0.000 0.314 948 R C -1.334 174.936 176.300 -0.050 0.000 0.959 948 R CA -0.563 55.342 56.100 -0.325 0.000 0.851 948 R CB 1.451 31.248 30.300 -0.838 0.000 1.168 948 R HN 0.497 nan 8.270 nan 0.000 0.472 949 I N 6.116 126.689 120.570 0.005 0.000 2.312 949 I HA 0.303 4.463 4.170 -0.015 0.000 0.290 949 I C -1.785 174.289 176.117 -0.071 0.000 1.008 949 I CA -2.259 59.043 61.300 0.004 0.000 1.226 949 I CB 1.409 39.462 38.000 0.088 0.000 1.371 949 I HN 0.311 nan 8.210 nan 0.000 0.468 950 P HA 0.003 nan 4.420 nan 0.000 0.271 950 P C -0.530 176.607 177.300 -0.273 0.000 1.244 950 P CA -0.419 62.590 63.100 -0.152 0.000 0.793 950 P CB 0.914 32.467 31.700 -0.245 0.000 0.984 951 K N 0.833 121.068 120.400 -0.276 0.000 2.355 951 K HA 0.071 4.382 4.320 -0.015 0.000 0.270 951 K C -0.435 175.736 176.600 -0.716 0.000 1.003 951 K CA -0.079 55.910 56.287 -0.497 0.000 0.957 951 K CB -0.042 31.980 32.500 -0.796 0.000 0.939 951 K HN 0.342 nan 8.250 nan 0.000 0.482 952 Y N 2.456 122.537 120.300 -0.365 0.000 2.316 952 Y HA 0.073 4.614 4.550 -0.015 0.000 0.331 952 Y C 0.506 176.248 175.900 -0.263 0.000 1.083 952 Y CA -0.025 57.983 58.100 -0.154 0.000 1.206 952 Y CB 0.579 39.097 38.460 0.097 0.000 1.195 952 Y HN 0.534 nan 8.280 nan 0.000 0.497 953 F N -0.154 119.940 119.950 0.239 0.000 2.680 953 F HA 0.184 4.701 4.527 -0.015 0.000 0.290 953 F C 0.331 176.240 175.800 0.182 0.000 1.114 953 F CA -0.073 58.059 58.000 0.219 0.000 1.333 953 F CB 0.411 39.471 39.000 0.100 0.000 1.091 953 F HN 0.394 nan 8.300 nan 0.000 0.606 954 N N -0.539 118.360 118.700 0.333 0.000 2.272 954 N HA 0.136 4.867 4.740 -0.015 0.000 0.305 954 N C 0.835 176.417 175.510 0.120 0.000 1.103 954 N CA 0.328 53.496 53.050 0.198 0.000 0.791 954 N CB 1.731 40.327 38.487 0.182 0.000 1.356 954 N HN -0.078 nan 8.380 nan 0.000 0.486 955 S N 0.370 116.099 115.700 0.048 0.000 2.423 955 S HA -0.079 4.382 4.470 -0.015 0.000 0.231 955 S C 1.695 176.278 174.600 -0.028 0.000 1.014 955 S CA 0.441 58.628 58.200 -0.022 0.000 0.965 955 S CB -0.297 62.881 63.200 -0.036 0.000 0.785 955 S HN 0.615 nan 8.310 nan 0.000 0.495 956 I N 1.714 122.291 120.570 0.012 0.000 2.454 956 I HA -0.121 4.039 4.170 -0.015 0.000 0.254 956 I C 1.984 178.109 176.117 0.013 0.000 1.156 956 I CA 0.960 62.264 61.300 0.007 0.000 1.433 956 I CB -0.173 37.840 38.000 0.020 0.000 1.082 956 I HN 0.239 nan 8.210 nan 0.000 0.432 957 S N 0.248 115.979 115.700 0.052 0.000 2.515 957 S HA -0.001 4.460 4.470 -0.015 0.000 0.231 957 S C 1.774 176.346 174.600 -0.048 0.000 0.987 957 S CA 0.572 58.822 58.200 0.083 0.000 0.936 957 S CB -0.211 63.154 63.200 0.276 0.000 0.766 957 S HN 0.401 nan 8.310 nan 0.000 0.528 958 L N 1.098 122.234 121.223 -0.146 0.000 2.141 958 L HA 0.008 4.339 4.340 -0.015 0.000 0.209 958 L C 0.520 177.270 176.870 -0.199 0.000 1.094 958 L CA 0.846 55.487 54.840 -0.333 0.000 0.763 958 L CB -0.063 41.779 42.059 -0.362 0.000 0.908 958 L HN 0.226 nan 8.230 nan 0.000 0.437 959 N N 0.308 118.946 118.700 -0.105 0.000 2.765 959 N HA 0.148 4.879 4.740 -0.015 0.000 0.277 959 N C -1.017 174.484 175.510 -0.014 0.000 1.750 959 N CA 0.006 53.018 53.050 -0.062 0.000 0.827 959 N CB 0.722 39.171 38.487 -0.064 0.000 1.200 959 N HN 0.045 nan 8.380 nan 0.000 0.494 960 N N 1.127 119.840 118.700 0.022 0.000 2.701 960 N HA 0.004 4.735 4.740 -0.015 0.000 0.258 960 N C -1.341 174.284 175.510 0.191 0.000 1.262 960 N CA -0.281 52.822 53.050 0.089 0.000 0.780 960 N CB 1.002 39.543 38.487 0.090 0.000 1.380 960 N HN 0.222 nan 8.380 nan 0.000 0.548 961 E N 3.145 123.422 120.200 0.128 0.000 2.229 961 E HA 0.267 4.607 4.350 -0.015 0.000 0.283 961 E C -1.077 175.632 176.600 0.181 0.000 1.030 961 E CA -0.528 55.933 56.400 0.103 0.000 0.836 961 E CB 0.530 30.242 29.700 0.020 0.000 1.068 961 E HN 0.553 nan 8.360 nan 0.000 0.401 962 Y N 0.438 120.763 120.300 0.043 0.000 2.512 962 Y HA 0.525 5.066 4.550 -0.015 0.000 0.348 962 Y C -0.580 175.343 175.900 0.039 0.000 0.990 962 Y CA -1.267 56.855 58.100 0.038 0.000 1.033 962 Y CB 1.285 39.776 38.460 0.051 0.000 1.259 962 Y HN 0.141 nan 8.280 nan 0.000 0.461 963 T N 3.637 118.251 114.554 0.100 0.000 2.909 963 T HA 0.380 4.721 4.350 -0.015 0.000 0.286 963 T C 0.882 175.612 174.700 0.049 0.000 1.002 963 T CA -0.248 61.856 62.100 0.008 0.000 1.074 963 T CB 0.891 69.749 68.868 -0.017 0.000 0.984 963 T HN 0.798 nan 8.240 nan 0.000 0.495 964 I N -0.991 119.574 120.570 -0.009 0.000 4.774 964 I HA 0.519 4.680 4.170 -0.015 0.000 0.330 964 I C -0.245 175.809 176.117 -0.106 0.000 1.287 964 I CA -0.103 61.202 61.300 0.008 0.000 1.311 964 I CB 0.562 38.593 38.000 0.051 0.000 1.315 964 I HN 0.336 nan 8.210 nan 0.000 0.459 965 I N 2.095 122.562 120.570 -0.172 0.000 2.512 965 I HA 0.396 4.557 4.170 -0.015 0.000 0.287 965 I C -1.385 174.552 176.117 -0.301 0.000 1.069 965 I CA -0.450 60.619 61.300 -0.384 0.000 1.056 965 I CB 1.916 39.713 38.000 -0.338 0.000 1.229 965 I HN 0.082 nan 8.210 nan 0.000 0.429 966 N N 5.132 123.564 118.700 -0.446 0.000 2.461 966 N HA 0.409 5.140 4.740 -0.015 0.000 0.284 966 N C -1.494 173.650 175.510 -0.611 0.000 1.049 966 N CA -0.326 52.465 53.050 -0.432 0.000 0.889 966 N CB 1.778 40.097 38.487 -0.281 0.000 1.365 966 N HN 0.643 nan 8.380 nan 0.000 0.499 967 C N 6.942 125.701 119.300 -0.902 0.000 3.003 967 C HA 0.602 5.053 4.460 -0.015 0.000 0.241 967 C C -1.370 173.190 174.990 -0.717 0.000 1.224 967 C CA -0.510 57.899 59.018 -1.016 0.000 1.560 967 C CB -1.412 25.078 27.740 -2.084 0.000 1.768 967 C HN 0.636 nan 8.230 nan 0.000 0.440 968 M N 3.438 122.804 119.600 -0.391 0.000 2.267 968 M HA 0.451 4.921 4.480 -0.015 0.000 0.289 968 M C -0.858 175.365 176.300 -0.130 0.000 1.043 968 M CA -0.052 55.107 55.300 -0.236 0.000 0.928 968 M CB 2.169 34.645 32.600 -0.207 0.000 1.613 968 M HN 0.508 nan 8.290 nan 0.000 0.450 969 E N 1.749 121.918 120.200 -0.052 0.000 2.183 969 E HA 0.280 4.621 4.350 -0.015 0.000 0.271 969 E C -0.323 176.209 176.600 -0.113 0.000 0.919 969 E CA -0.556 55.819 56.400 -0.041 0.000 0.781 969 E CB 1.253 31.010 29.700 0.095 0.000 1.140 969 E HN 0.765 nan 8.360 nan 0.000 0.402 970 N N 5.012 123.638 118.700 -0.123 0.000 2.913 970 N HA -0.342 4.389 4.740 -0.015 0.000 0.301 970 N C -0.320 175.127 175.510 -0.105 0.000 1.061 970 N CA 0.570 53.550 53.050 -0.117 0.000 0.827 970 N CB -0.580 37.828 38.487 -0.131 0.000 0.971 970 N HN 0.696 nan 8.380 nan 0.000 0.606 971 N N -2.834 115.817 118.700 -0.083 0.000 2.951 971 N HA -0.241 4.490 4.740 -0.015 0.000 0.213 971 N C -0.416 175.060 175.510 -0.056 0.000 0.877 971 N CA 1.624 54.634 53.050 -0.067 0.000 1.042 971 N CB -1.196 37.258 38.487 -0.055 0.000 1.005 971 N HN 0.713 nan 8.380 nan 0.000 0.604 972 S N -0.336 115.334 115.700 -0.050 0.000 2.608 972 S HA 0.729 5.190 4.470 -0.015 0.000 0.291 972 S C 0.592 175.186 174.600 -0.011 0.000 1.146 972 S CA 0.669 58.866 58.200 -0.004 0.000 1.043 972 S CB 1.763 64.992 63.200 0.049 0.000 1.037 972 S HN 0.912 nan 8.310 nan 0.000 0.520 973 G N 2.471 111.273 108.800 0.004 0.000 2.265 973 G HA2 0.060 4.010 3.960 -0.015 0.000 0.246 973 G HA3 0.060 4.010 3.960 -0.015 0.000 0.246 973 G C -1.351 173.513 174.900 -0.061 0.000 1.299 973 G CA -0.229 44.840 45.100 -0.052 0.000 1.117 973 G HN 1.061 nan 8.290 nan 0.000 0.485 974 W N 0.586 121.739 121.300 -0.245 0.000 2.975 974 W HA 0.850 5.501 4.660 -0.015 0.000 0.342 974 W C -0.602 175.675 176.519 -0.404 0.000 1.168 974 W CA -0.664 56.431 57.345 -0.416 0.000 1.141 974 W CB 1.652 30.817 29.460 -0.491 0.000 1.445 974 W HN 1.126 nan 8.180 nan 0.000 0.560 975 K N 0.021 120.323 120.400 -0.162 0.000 2.568 975 K HA 0.623 4.934 4.320 -0.015 0.000 0.273 975 K C -2.336 174.263 176.600 -0.002 0.000 0.951 975 K CA -0.834 55.405 56.287 -0.079 0.000 0.854 975 K CB 2.144 34.543 32.500 -0.168 0.000 1.424 975 K HN 0.295 nan 8.250 nan 0.000 0.427 976 V N 2.035 122.055 119.914 0.176 0.000 2.435 976 V HA 0.520 4.631 4.120 -0.015 0.000 0.290 976 V C -0.485 175.667 176.094 0.097 0.000 1.030 976 V CA -0.278 62.180 62.300 0.264 0.000 0.881 976 V CB 1.295 33.356 31.823 0.396 0.000 0.983 976 V HN 0.972 nan 8.190 nan 0.000 0.445 977 S N 5.470 121.211 115.700 0.069 0.000 2.627 977 S HA 0.879 5.340 4.470 -0.015 0.000 0.283 977 S C -1.223 173.316 174.600 -0.102 0.000 1.127 977 S CA -0.916 57.248 58.200 -0.060 0.000 0.863 977 S CB 1.969 65.126 63.200 -0.073 0.000 1.121 977 S HN 0.427 nan 8.310 nan 0.000 0.479 978 L N 1.509 122.517 121.223 -0.360 0.000 2.381 978 L HA 0.688 5.019 4.340 -0.015 0.000 0.268 978 L C -0.398 176.270 176.870 -0.337 0.000 0.997 978 L CA -0.733 53.906 54.840 -0.336 0.000 0.818 978 L CB 2.061 43.888 42.059 -0.387 0.000 1.310 978 L HN 0.738 nan 8.230 nan 0.000 0.416 979 N N -0.187 118.448 118.700 -0.108 0.000 3.102 979 N HA 0.242 4.973 4.740 -0.015 0.000 0.299 979 N C -1.375 173.973 175.510 -0.269 0.000 1.482 979 N CA -0.636 52.364 53.050 -0.082 0.000 0.785 979 N CB 1.374 39.821 38.487 -0.067 0.000 1.680 979 N HN 0.445 nan 8.380 nan 0.000 0.594 980 Y N 1.261 121.223 120.300 -0.564 0.000 2.745 980 Y HA 0.216 4.757 4.550 -0.015 0.000 0.335 980 Y C 1.409 176.940 175.900 -0.614 0.000 1.212 980 Y CA 1.545 59.106 58.100 -0.900 0.000 1.535 980 Y CB -0.489 37.618 38.460 -0.589 0.000 1.220 980 Y HN 0.740 nan 8.280 nan 0.000 0.531 981 G N 4.035 112.198 108.800 -1.061 0.000 2.179 981 G HA2 -0.276 3.674 3.960 -0.015 0.000 0.257 981 G HA3 -0.276 3.674 3.960 -0.015 0.000 0.257 981 G C -0.175 174.097 174.900 -1.047 0.000 1.010 981 G CA 0.371 44.627 45.100 -1.408 0.000 0.736 981 G HN 0.650 nan 8.290 nan 0.000 0.513 982 E N -1.076 118.855 120.200 -0.448 0.000 2.331 982 E HA 0.600 4.941 4.350 -0.015 0.000 0.275 982 E C -0.571 176.073 176.600 0.073 0.000 0.895 982 E CA -0.911 55.378 56.400 -0.184 0.000 0.753 982 E CB 1.964 31.566 29.700 -0.163 0.000 1.216 982 E HN 0.213 nan 8.360 nan 0.000 0.434 983 I N 3.574 124.253 120.570 0.182 0.000 2.378 983 I HA 0.412 4.572 4.170 -0.015 0.000 0.291 983 I C -0.639 175.592 176.117 0.190 0.000 0.992 983 I CA -0.607 60.837 61.300 0.240 0.000 1.154 983 I CB 1.165 39.382 38.000 0.362 0.000 1.315 983 I HN 0.308 nan 8.210 nan 0.000 0.448 984 I N 5.816 126.481 120.570 0.158 0.000 2.436 984 I HA 0.283 4.444 4.170 -0.015 0.000 0.289 984 I C -0.785 175.477 176.117 0.243 0.000 1.010 984 I CA -0.419 60.973 61.300 0.153 0.000 1.098 984 I CB 1.689 39.727 38.000 0.064 0.000 1.266 984 I HN 0.580 nan 8.210 nan 0.000 0.434 985 W N 6.645 127.981 121.300 0.060 0.000 2.469 985 W HA 0.591 5.242 4.660 -0.015 0.000 0.320 985 W C -1.368 175.190 176.519 0.065 0.000 1.086 985 W CA -0.347 57.040 57.345 0.071 0.000 1.211 985 W CB 1.940 31.417 29.460 0.028 0.000 1.298 985 W HN 0.407 nan 8.180 nan 0.000 0.525 986 T N 6.755 120.924 114.554 -0.643 0.000 2.991 986 T HA 0.449 4.790 4.350 -0.015 0.000 0.303 986 T C -0.540 173.808 174.700 -0.586 0.000 1.015 986 T CA -0.582 61.249 62.100 -0.450 0.000 1.007 986 T CB 1.602 70.332 68.868 -0.231 0.000 1.034 986 T HN 0.291 nan 8.240 nan 0.000 0.446 987 L N 2.535 123.576 121.223 -0.302 0.000 2.325 987 L HA 0.621 4.951 4.340 -0.015 0.000 0.278 987 L C 0.026 176.875 176.870 -0.036 0.000 1.023 987 L CA -0.700 54.078 54.840 -0.103 0.000 0.811 987 L CB 2.004 44.105 42.059 0.070 0.000 1.249 987 L HN 0.543 nan 8.230 nan 0.000 0.431 988 Q N 1.883 121.679 119.800 -0.008 0.000 2.533 988 Q HA 0.320 4.651 4.340 -0.015 0.000 0.251 988 Q C -0.793 175.226 176.000 0.033 0.000 0.966 988 Q CA -0.202 55.600 55.803 -0.001 0.000 0.714 988 Q CB 1.509 30.228 28.738 -0.032 0.000 1.284 988 Q HN 0.821 nan 8.270 nan 0.000 0.478 989 D N 0.706 121.137 120.400 0.051 0.000 2.433 989 D HA 0.181 4.812 4.640 -0.015 0.000 0.255 989 D C 0.090 176.414 176.300 0.039 0.000 1.226 989 D CA -0.169 53.868 54.000 0.063 0.000 1.015 989 D CB 1.224 nan 40.800 nan 0.000 1.091 989 D HN 0.370 nan 8.370 nan 0.000 0.527 990 T N -0.456 114.123 114.554 0.041 0.000 3.579 990 T HA 0.471 4.812 4.350 -0.015 0.000 0.328 990 T C 0.418 175.125 174.700 0.012 0.000 1.481 990 T CA 1.693 63.818 62.100 0.043 0.000 1.144 990 T CB -1.571 67.332 68.868 0.058 0.000 1.205 990 T HN 1.675 nan 8.240 nan 0.000 0.812 991 Q N 1.281 121.079 119.800 -0.004 0.000 2.387 991 Q HA -0.067 4.264 4.340 -0.015 0.000 0.287 991 Q C 0.113 176.108 176.000 -0.009 0.000 1.367 991 Q CA 1.442 57.234 55.803 -0.017 0.000 0.690 991 Q CB -2.769 25.955 28.738 -0.022 0.000 1.090 991 Q HN 1.424 nan 8.270 nan 0.000 0.376 992 E N -2.026 118.170 120.200 -0.006 0.000 7.439 992 E HA -0.014 4.327 4.350 -0.015 0.000 0.300 992 E C -0.418 176.186 176.600 0.005 0.000 0.813 992 E CA 1.260 57.658 56.400 -0.004 0.000 1.419 992 E CB -0.971 28.723 29.700 -0.009 0.000 0.921 992 E HN 1.450 nan 8.360 nan 0.000 0.266 993 I N 2.539 123.115 120.570 0.011 0.000 3.354 993 I HA 0.472 4.633 4.170 -0.015 0.000 0.316 993 I C 0.287 176.410 176.117 0.010 0.000 1.182 993 I CA -1.365 59.938 61.300 0.007 0.000 0.942 993 I CB 1.859 39.864 38.000 0.008 0.000 1.299 993 I HN 0.257 nan 8.210 nan 0.000 0.473 994 K N 0.995 121.397 120.400 0.004 0.000 2.087 994 K HA 0.536 4.847 4.320 -0.015 0.000 0.255 994 K C -0.800 175.809 176.600 0.015 0.000 0.988 994 K CA -0.396 55.891 56.287 0.000 0.000 0.915 994 K CB 1.192 33.685 32.500 -0.013 0.000 1.043 994 K HN 0.349 nan 8.250 nan 0.000 0.457 995 Q N 1.037 120.849 119.800 0.020 0.000 2.544 995 Q HA 0.514 4.845 4.340 -0.015 0.000 0.291 995 Q C -1.806 174.214 176.000 0.034 0.000 1.068 995 Q CA -0.884 54.941 55.803 0.036 0.000 0.785 995 Q CB 1.936 30.713 28.738 0.064 0.000 1.481 995 Q HN 0.485 nan 8.270 nan 0.000 0.430 996 R N 0.865 121.403 120.500 0.064 0.000 2.563 996 R HA 0.619 4.950 4.340 -0.015 0.000 0.262 996 R C -1.831 174.533 176.300 0.106 0.000 1.128 996 R CA -0.451 55.691 56.100 0.069 0.000 0.969 996 R CB 1.313 31.630 30.300 0.027 0.000 1.251 996 R HN 0.595 nan 8.270 nan 0.000 0.442 997 V N 0.592 120.607 119.914 0.169 0.000 2.789 997 V HA 0.857 4.968 4.120 -0.015 0.000 0.311 997 V C -1.149 175.021 176.094 0.127 0.000 1.073 997 V CA -0.675 61.700 62.300 0.126 0.000 0.921 997 V CB 2.160 34.043 31.823 0.100 0.000 1.009 997 V HN 0.411 nan 8.190 nan 0.000 0.426 998 V N 4.381 124.343 119.914 0.080 0.000 2.760 998 V HA 0.572 4.683 4.120 -0.015 0.000 0.309 998 V C -1.153 175.010 176.094 0.115 0.000 1.077 998 V CA -0.353 61.998 62.300 0.085 0.000 0.910 998 V CB 1.949 33.792 31.823 0.033 0.000 1.008 998 V HN 0.961 nan 8.190 nan 0.000 0.424 999 F N 4.973 124.905 119.950 -0.029 0.000 2.426 999 F HA 0.663 5.181 4.527 -0.015 0.000 0.348 999 F C -0.300 175.489 175.800 -0.017 0.000 1.124 999 F CA -0.634 57.335 58.000 -0.052 0.000 1.008 999 F CB 1.161 40.111 39.000 -0.083 0.000 1.139 999 F HN 0.385 nan 8.300 nan 0.000 0.452 1000 K N 6.791 126.798 120.400 -0.656 0.000 2.292 1000 K HA 0.416 4.727 4.320 -0.015 0.000 0.257 1000 K C -1.798 174.355 176.600 -0.745 0.000 0.940 1000 K CA -0.733 55.184 56.287 -0.618 0.000 0.811 1000 K CB 1.626 33.944 32.500 -0.303 0.000 1.120 1000 K HN 0.764 nan 8.250 nan 0.000 0.428 1001 Y N -0.902 118.968 120.300 -0.718 0.000 2.553 1001 Y HA 0.515 5.056 4.550 -0.015 0.000 0.347 1001 Y C -0.502 175.260 175.900 -0.231 0.000 1.019 1001 Y CA -1.138 56.685 58.100 -0.461 0.000 1.032 1001 Y CB 1.483 39.643 38.460 -0.499 0.000 1.284 1001 Y HN 0.317 nan 8.280 nan 0.000 0.466 1002 S N 0.597 116.308 115.700 0.019 0.000 2.610 1002 S HA 0.247 4.708 4.470 -0.015 0.000 0.273 1002 S C 0.112 174.755 174.600 0.072 0.000 1.274 1002 S CA -0.582 57.610 58.200 -0.013 0.000 1.023 1002 S CB 0.938 64.177 63.200 0.066 0.000 0.962 1002 S HN 0.850 nan 8.310 nan 0.000 0.523 1003 Q N 1.866 121.674 119.800 0.012 0.000 2.219 1003 Q HA 0.222 4.553 4.340 -0.015 0.000 0.209 1003 Q C -0.759 175.340 176.000 0.165 0.000 0.854 1003 Q CA 0.046 55.916 55.803 0.111 0.000 0.960 1003 Q CB 0.363 29.145 28.738 0.074 0.000 1.116 1003 Q HN 0.559 nan 8.270 nan 0.000 0.500 1004 M N 1.462 121.143 119.600 0.134 0.000 2.131 1004 M HA 0.491 4.962 4.480 -0.015 0.000 0.345 1004 M C -0.711 175.661 176.300 0.121 0.000 1.060 1004 M CA -0.209 55.165 55.300 0.124 0.000 1.011 1004 M CB 0.256 32.911 32.600 0.091 0.000 1.328 1004 M HN 0.082 nan 8.290 nan 0.000 0.396 1005 I N 1.438 122.095 120.570 0.145 0.000 2.763 1005 I HA 0.237 4.397 4.170 -0.015 0.000 0.292 1005 I C 0.089 176.306 176.117 0.167 0.000 1.610 1005 I CA -0.189 61.199 61.300 0.147 0.000 1.002 1005 I CB 1.814 39.916 38.000 0.170 0.000 1.416 1005 I HN 0.508 nan 8.210 nan 0.000 0.479 1006 N N 5.758 124.540 118.700 0.136 0.000 2.051 1006 N HA 0.104 4.835 4.740 -0.015 0.000 0.192 1006 N C -0.072 175.534 175.510 0.160 0.000 1.049 1006 N CA 1.377 54.506 53.050 0.132 0.000 0.845 1006 N CB 0.232 38.771 38.487 0.086 0.000 1.031 1006 N HN 0.378 nan 8.380 nan 0.000 0.425 1007 I N 0.550 121.203 120.570 0.138 0.000 2.478 1007 I HA 0.123 4.284 4.170 -0.015 0.000 0.287 1007 I C -0.539 175.671 176.117 0.155 0.000 1.042 1007 I CA -0.433 60.958 61.300 0.150 0.000 1.067 1007 I CB 2.172 40.231 38.000 0.098 0.000 1.233 1007 I HN -0.068 nan 8.210 nan 0.000 0.431 1008 S N 3.442 119.263 115.700 0.201 0.000 2.508 1008 S HA 0.210 4.670 4.470 -0.015 0.000 0.284 1008 S C 0.686 175.273 174.600 -0.022 0.000 1.192 1008 S CA -0.482 57.809 58.200 0.151 0.000 1.070 1008 S CB 1.093 64.458 63.200 0.275 0.000 1.004 1008 S HN 0.545 nan 8.310 nan 0.000 0.493 1009 D N 2.728 122.964 120.400 -0.274 0.000 2.312 1009 D HA 0.017 4.648 4.640 -0.015 0.000 0.211 1009 D C 0.476 176.420 176.300 -0.594 0.000 0.964 1009 D CA 1.360 55.010 54.000 -0.584 0.000 0.877 1009 D CB 0.124 40.356 40.800 -0.946 0.000 0.924 1009 D HN 0.735 nan 8.370 nan 0.000 0.515 1010 Y N -0.612 119.688 120.300 -0.000 0.000 2.652 1010 Y HA 0.290 4.830 4.550 -0.015 0.000 0.275 1010 Y C 1.010 176.841 175.900 -0.115 0.000 1.133 1010 Y CA -0.597 57.435 58.100 -0.112 0.000 1.246 1010 Y CB 0.598 38.870 38.460 -0.313 0.000 1.334 1010 Y HN -0.262 nan 8.280 nan 0.000 0.493 1011 I N 2.892 123.571 120.570 0.182 0.000 2.752 1011 I HA -0.158 4.003 4.170 -0.015 0.000 0.286 1011 I C 0.597 176.887 176.117 0.288 0.000 1.180 1011 I CA 0.739 62.192 61.300 0.254 0.000 1.404 1011 I CB -0.060 38.188 38.000 0.413 0.000 1.389 1011 I HN 0.440 nan 8.210 nan 0.000 0.549 1012 N N 3.789 122.589 118.700 0.166 0.000 2.778 1012 N HA -0.221 4.509 4.740 -0.015 0.000 0.249 1012 N C -0.398 175.196 175.510 0.141 0.000 1.069 1012 N CA 1.200 54.309 53.050 0.099 0.000 0.831 1012 N CB -0.412 38.125 38.487 0.084 0.000 1.142 1012 N HN 0.600 nan 8.380 nan 0.000 0.573 1013 R N -1.037 119.552 120.500 0.149 0.000 2.732 1013 R HA 0.364 4.695 4.340 -0.015 0.000 0.278 1013 R C -0.554 175.825 176.300 0.131 0.000 0.976 1013 R CA -0.714 55.472 56.100 0.143 0.000 0.963 1013 R CB 0.639 30.949 30.300 0.017 0.000 1.150 1013 R HN 0.120 nan 8.270 nan 0.000 0.478 1014 W N 4.222 125.642 121.300 0.200 0.000 2.381 1014 W HA 0.156 4.807 4.660 -0.015 0.000 0.321 1014 W C 0.555 177.289 176.519 0.359 0.000 1.407 1014 W CA -0.099 57.423 57.345 0.296 0.000 1.274 1014 W CB 0.303 29.948 29.460 0.308 0.000 1.310 1014 W HN 0.383 nan 8.180 nan 0.000 0.551 1015 I N 1.601 122.519 120.570 0.579 0.000 2.740 1015 I HA 0.558 4.719 4.170 -0.015 0.000 0.303 1015 I C -1.375 174.794 176.117 0.086 0.000 1.044 1015 I CA -1.361 60.126 61.300 0.312 0.000 1.064 1015 I CB 1.965 40.065 38.000 0.168 0.000 1.249 1015 I HN 0.163 nan 8.210 nan 0.000 0.433 1016 F N 5.780 125.385 119.950 -0.574 0.000 2.371 1016 F HA 0.612 5.129 4.527 -0.016 0.000 0.363 1016 F C -0.841 174.481 175.800 -0.796 0.000 1.122 1016 F CA -0.742 56.579 58.000 -1.133 0.000 1.129 1016 F CB 1.026 39.021 39.000 -1.674 0.000 1.173 1016 F HN 0.246 nan 8.300 nan 0.000 0.489 1017 V N 5.149 124.367 119.914 -1.160 0.000 2.472 1017 V HA 0.573 4.684 4.120 -0.015 0.000 0.290 1017 V C -0.248 175.029 176.094 -1.362 0.000 1.037 1017 V CA -0.499 61.103 62.300 -1.163 0.000 0.908 1017 V CB 1.814 32.949 31.823 -1.147 0.000 0.985 1017 V HN 0.824 nan 8.190 nan 0.000 0.454 1018 T N 5.318 119.267 114.554 -1.009 0.000 2.921 1018 T HA 0.610 4.951 4.350 -0.015 0.000 0.297 1018 T C -0.846 173.519 174.700 -0.558 0.000 1.013 1018 T CA -0.396 61.226 62.100 -0.797 0.000 0.990 1018 T CB 1.477 69.874 68.868 -0.785 0.000 1.023 1018 T HN 0.298 nan 8.240 nan 0.000 0.447 1019 I N 3.689 123.875 120.570 -0.640 0.000 2.362 1019 I HA 0.430 4.591 4.170 -0.015 0.000 0.289 1019 I C 0.820 176.473 176.117 -0.774 0.000 0.994 1019 I CA -0.828 59.986 61.300 -0.809 0.000 1.158 1019 I CB 1.004 38.113 38.000 -1.485 0.000 1.315 1019 I HN 0.801 nan 8.210 nan 0.000 0.451 1020 T N 3.495 117.724 114.554 -0.543 0.000 2.925 1020 T HA 0.638 4.979 4.350 -0.015 0.000 0.285 1020 T C -0.269 174.165 174.700 -0.443 0.000 1.021 1020 T CA -0.853 60.971 62.100 -0.460 0.000 1.042 1020 T CB 2.205 70.938 68.868 -0.226 0.000 1.037 1020 T HN 0.525 nan 8.240 nan 0.000 0.481 1021 N N 2.108 120.575 118.700 -0.389 0.000 2.235 1021 N HA 0.386 5.117 4.740 -0.015 0.000 0.293 1021 N C -1.699 173.811 175.510 -0.001 0.000 1.083 1021 N CA -0.699 52.254 53.050 -0.162 0.000 0.801 1021 N CB 2.214 40.629 38.487 -0.120 0.000 1.559 1021 N HN 0.728 nan 8.380 nan 0.000 0.472 1022 N N 1.262 119.997 118.700 0.058 0.000 2.581 1022 N HA 0.147 4.878 4.740 -0.015 0.000 0.279 1022 N C 0.538 176.112 175.510 0.106 0.000 1.124 1022 N CA -0.370 52.730 53.050 0.083 0.000 0.833 1022 N CB 1.279 39.791 38.487 0.041 0.000 1.338 1022 N HN 0.404 nan 8.380 nan 0.000 0.533 1023 R N 2.998 123.585 120.500 0.144 0.000 2.133 1023 R HA 0.001 4.332 4.340 -0.015 0.000 0.247 1023 R C 0.924 177.283 176.300 0.099 0.000 1.151 1023 R CA 1.704 57.887 56.100 0.138 0.000 0.971 1023 R CB -0.506 29.884 30.300 0.149 0.000 0.866 1023 R HN 0.725 nan 8.270 nan 0.000 0.447 1024 L N -0.624 120.648 121.223 0.082 0.000 2.599 1024 L HA 0.143 4.474 4.340 -0.015 0.000 0.230 1024 L C 0.565 177.466 176.870 0.051 0.000 1.141 1024 L CA 0.320 55.197 54.840 0.063 0.000 0.877 1024 L CB -0.205 41.888 42.059 0.056 0.000 1.009 1024 L HN 0.239 nan 8.230 nan 0.000 0.447 1025 N N -0.967 117.765 118.700 0.053 0.000 2.517 1025 N HA 0.246 4.977 4.740 -0.015 0.000 0.121 1025 N C -0.895 174.638 175.510 0.039 0.000 1.776 1025 N CA -0.530 52.542 53.050 0.037 0.000 1.255 1025 N CB 0.501 39.004 38.487 0.026 0.000 0.954 1025 N HN 0.079 nan 8.380 nan 0.000 0.414 1026 N N -1.022 117.696 118.700 0.030 0.000 2.591 1026 N HA 0.448 5.179 4.740 -0.015 0.000 0.263 1026 N C -1.886 173.629 175.510 0.009 0.000 1.308 1026 N CA -0.707 52.358 53.050 0.024 0.000 0.837 1026 N CB 1.485 39.974 38.487 0.002 0.000 1.548 1026 N HN 0.120 nan 8.380 nan 0.000 0.493 1027 S N -0.011 115.701 115.700 0.020 0.000 2.616 1027 S HA 0.587 5.048 4.470 -0.015 0.000 0.277 1027 S C -0.439 174.100 174.600 -0.103 0.000 1.234 1027 S CA -0.711 57.470 58.200 -0.032 0.000 1.028 1027 S CB 0.567 63.818 63.200 0.085 0.000 0.988 1027 S HN 0.467 nan 8.310 nan 0.000 0.522 1028 K N 1.070 121.349 120.400 -0.202 0.000 2.422 1028 K HA 0.581 4.891 4.320 -0.015 0.000 0.251 1028 K C -1.244 175.140 176.600 -0.360 0.000 0.933 1028 K CA -0.425 55.692 56.287 -0.284 0.000 0.798 1028 K CB 2.361 34.677 32.500 -0.307 0.000 1.238 1028 K HN 0.553 nan 8.250 nan 0.000 0.428 1029 I N 2.580 122.910 120.570 -0.400 0.000 2.406 1029 I HA 0.401 4.561 4.170 -0.015 0.000 0.290 1029 I C -1.505 174.303 176.117 -0.515 0.000 0.999 1029 I CA -0.629 60.447 61.300 -0.372 0.000 1.124 1029 I CB 0.644 38.505 38.000 -0.232 0.000 1.289 1029 I HN 0.547 nan 8.210 nan 0.000 0.441 1030 Y N 6.884 126.922 120.300 -0.438 0.000 2.487 1030 Y HA 0.613 5.154 4.550 -0.015 0.000 0.337 1030 Y C -0.204 175.340 175.900 -0.593 0.000 1.076 1030 Y CA -0.829 56.997 58.100 -0.457 0.000 1.115 1030 Y CB 1.798 39.977 38.460 -0.470 0.000 1.235 1030 Y HN 0.228 nan 8.280 nan 0.000 0.468 1031 I N 2.700 123.020 120.570 -0.417 0.000 2.534 1031 I HA 0.164 4.325 4.170 -0.015 0.000 0.288 1031 I C -0.592 175.253 176.117 -0.454 0.000 1.077 1031 I CA -1.108 59.842 61.300 -0.583 0.000 1.051 1031 I CB 1.599 39.065 38.000 -0.890 0.000 1.234 1031 I HN 0.738 nan 8.210 nan 0.000 0.425 1032 N N 4.828 123.192 118.700 -0.561 0.000 2.698 1032 N HA -0.217 4.514 4.740 -0.015 0.000 0.258 1032 N C 1.137 176.229 175.510 -0.697 0.000 0.978 1032 N CA 1.356 53.928 53.050 -0.797 0.000 0.777 1032 N CB -0.863 37.418 38.487 -0.344 0.000 0.907 1032 N HN 1.152 nan 8.380 nan 0.000 0.543 1033 G N -1.004 107.485 108.800 -0.518 0.000 2.155 1033 G HA2 -0.371 3.580 3.960 -0.015 0.000 0.257 1033 G HA3 -0.371 3.580 3.960 -0.015 0.000 0.257 1033 G C 0.089 174.967 174.900 -0.036 0.000 0.983 1033 G CA 0.693 45.667 45.100 -0.210 0.000 0.676 1033 G HN 0.737 nan 8.290 nan 0.000 0.528 1034 R N -0.518 119.961 120.500 -0.035 0.000 2.534 1034 R HA 0.625 4.956 4.340 -0.015 0.000 0.301 1034 R C -0.410 175.854 176.300 -0.060 0.000 0.961 1034 R CA -1.096 55.006 56.100 0.003 0.000 0.871 1034 R CB 0.897 31.172 30.300 -0.043 0.000 1.170 1034 R HN 0.230 nan 8.270 nan 0.000 0.446 1035 L N 6.173 127.318 121.223 -0.130 0.000 2.361 1035 L HA 0.145 4.476 4.340 -0.015 0.000 0.278 1035 L C 0.254 176.932 176.870 -0.320 0.000 1.113 1035 L CA 0.407 54.950 54.840 -0.496 0.000 0.849 1035 L CB 0.751 42.543 42.059 -0.446 0.000 1.155 1035 L HN 0.757 nan 8.230 nan 0.000 0.452 1036 I N 2.354 122.713 120.570 -0.352 0.000 2.899 1036 I HA 0.264 4.425 4.170 -0.015 0.000 0.257 1036 I C 0.123 176.156 176.117 -0.140 0.000 1.115 1036 I CA 0.521 61.716 61.300 -0.175 0.000 1.451 1036 I CB -0.515 37.411 38.000 -0.123 0.000 1.251 1036 I HN 0.618 nan 8.210 nan 0.000 0.456 1037 D N 0.254 120.542 120.400 -0.187 0.000 2.947 1037 D HA 0.460 5.091 4.640 -0.015 0.000 0.224 1037 D C -1.235 174.969 176.300 -0.160 0.000 1.230 1037 D CA -0.264 53.664 54.000 -0.120 0.000 0.871 1037 D CB 1.560 42.330 40.800 -0.051 0.000 1.671 1037 D HN 0.185 nan 8.370 nan 0.000 0.507 1038 Q N 1.413 121.143 119.800 -0.116 0.000 2.421 1038 Q HA 0.768 5.098 4.340 -0.015 0.000 0.280 1038 Q C -1.258 174.715 176.000 -0.045 0.000 1.085 1038 Q CA -1.113 54.630 55.803 -0.100 0.000 0.807 1038 Q CB 2.930 31.595 28.738 -0.121 0.000 1.405 1038 Q HN 0.007 nan 8.270 nan 0.000 0.419 1039 K N 1.268 121.657 120.400 -0.018 0.000 2.557 1039 K HA 0.408 4.719 4.320 -0.015 0.000 0.257 1039 K C -2.957 173.658 176.600 0.025 0.000 0.933 1039 K CA -1.753 54.539 56.287 0.009 0.000 0.820 1039 K CB 2.293 34.810 32.500 0.028 0.000 1.330 1039 K HN 0.573 nan 8.250 nan 0.000 0.432 1040 P HA 0.177 nan 4.420 nan 0.000 0.267 1040 P C 0.532 177.863 177.300 0.052 0.000 1.205 1040 P CA -0.094 63.027 63.100 0.034 0.000 0.765 1040 P CB 0.318 32.035 31.700 0.027 0.000 0.828 1041 I N -0.019 120.591 120.570 0.066 0.000 4.009 1041 I HA 0.082 4.243 4.170 -0.015 0.000 0.331 1041 I C 1.056 177.220 176.117 0.079 0.000 1.462 1041 I CA -0.185 61.166 61.300 0.085 0.000 1.117 1041 I CB -0.123 37.951 38.000 0.124 0.000 1.091 1041 I HN 0.047 nan 8.210 nan 0.000 0.410 1042 S N 0.608 116.346 115.700 0.063 0.000 2.507 1042 S HA -0.006 4.455 4.470 -0.015 0.000 0.235 1042 S C 1.331 175.963 174.600 0.053 0.000 0.988 1042 S CA 0.676 58.910 58.200 0.058 0.000 0.944 1042 S CB -0.668 62.560 63.200 0.047 0.000 0.762 1042 S HN 0.522 nan 8.310 nan 0.000 0.526 1043 N N 1.112 119.842 118.700 0.050 0.000 2.521 1043 N HA 0.285 5.016 4.740 -0.015 0.000 0.188 1043 N C 0.112 175.651 175.510 0.048 0.000 1.146 1043 N CA 0.301 53.377 53.050 0.044 0.000 0.893 1043 N CB -0.105 38.404 38.487 0.036 0.000 0.975 1043 N HN 0.492 nan 8.380 nan 0.000 0.451 1044 L N -2.149 119.111 121.223 0.062 0.000 2.260 1044 L HA 0.591 4.922 4.340 -0.015 0.000 0.265 1044 L C 1.408 178.323 176.870 0.075 0.000 1.015 1044 L CA -0.739 54.142 54.840 0.068 0.000 0.826 1044 L CB 1.748 43.857 42.059 0.083 0.000 1.373 1044 L HN -0.085 nan 8.230 nan 0.000 0.450 1045 G N -1.189 107.658 108.800 0.080 0.000 2.443 1045 G HA2 0.186 4.136 3.960 -0.015 0.000 0.188 1045 G HA3 0.186 4.136 3.960 -0.015 0.000 0.188 1045 G C 0.094 175.034 174.900 0.065 0.000 1.654 1045 G CA 0.608 45.756 45.100 0.079 0.000 0.685 1045 G HN 0.657 nan 8.290 nan 0.000 0.694 1046 N N -0.689 118.054 118.700 0.071 0.000 2.327 1046 N HA 0.604 5.335 4.740 -0.015 0.000 0.257 1046 N C 0.144 175.719 175.510 0.108 0.000 1.281 1046 N CA 0.218 53.322 53.050 0.090 0.000 0.942 1046 N CB -0.061 38.475 38.487 0.081 0.000 1.199 1046 N HN 1.157 nan 8.380 nan 0.000 0.532 1047 I N -0.431 120.217 120.570 0.130 0.000 2.392 1047 I HA 0.583 4.744 4.170 -0.015 0.000 0.295 1047 I C 0.258 176.468 176.117 0.154 0.000 0.985 1047 I CA -0.898 60.496 61.300 0.157 0.000 1.221 1047 I CB 0.419 38.544 38.000 0.209 0.000 1.366 1047 I HN 0.980 nan 8.210 nan 0.000 0.467 1048 H N 4.868 123.978 119.070 0.066 0.000 2.864 1048 H HA 0.648 5.195 4.556 -0.015 0.000 0.281 1048 H C 0.500 175.873 175.328 0.075 0.000 1.093 1048 H CA 0.400 56.474 56.048 0.044 0.000 1.453 1048 H CB 0.959 30.729 29.762 0.012 0.000 1.462 1048 H HN 1.073 nan 8.280 nan 0.000 0.480 1049 A N 4.677 127.367 122.820 -0.217 0.000 2.396 1049 A HA 0.270 4.581 4.320 -0.015 0.000 0.279 1049 A C 0.255 177.775 177.584 -0.107 0.000 1.165 1049 A CA -0.171 51.811 52.037 -0.092 0.000 0.824 1049 A CB 0.039 18.823 19.000 -0.360 0.000 1.100 1049 A HN 0.658 nan 8.150 nan 0.000 0.516 1050 S N 2.075 117.840 115.700 0.109 0.000 2.525 1050 S HA 0.154 4.614 4.470 -0.015 0.000 0.278 1050 S C 1.403 176.028 174.600 0.042 0.000 1.234 1050 S CA -0.736 57.491 58.200 0.046 0.000 1.058 1050 S CB 0.514 63.706 63.200 -0.015 0.000 0.983 1050 S HN 0.783 nan 8.310 nan 0.000 0.495 1051 N N 3.907 122.613 118.700 0.010 0.000 2.060 1051 N HA -0.100 4.631 4.740 -0.015 0.000 0.195 1051 N C -0.085 175.442 175.510 0.028 0.000 1.028 1051 N CA 1.449 54.508 53.050 0.017 0.000 0.861 1051 N CB -0.589 37.906 38.487 0.014 0.000 1.029 1051 N HN 0.613 nan 8.380 nan 0.000 0.428 1052 N N -0.452 118.243 118.700 -0.008 0.000 2.509 1052 N HA 0.425 5.155 4.740 -0.015 0.000 0.287 1052 N C -0.797 174.650 175.510 -0.104 0.000 1.121 1052 N CA -0.181 52.850 53.050 -0.033 0.000 0.977 1052 N CB 1.596 40.054 38.487 -0.049 0.000 1.167 1052 N HN 0.066 nan 8.380 nan 0.000 0.476 1053 I N 1.429 121.946 120.570 -0.089 0.000 2.500 1053 I HA 0.302 4.463 4.170 -0.015 0.000 0.286 1053 I C -0.999 174.992 176.117 -0.211 0.000 1.063 1053 I CA -0.676 60.484 61.300 -0.233 0.000 1.062 1053 I CB 1.674 39.571 38.000 -0.172 0.000 1.223 1053 I HN 0.254 nan 8.210 nan 0.000 0.435 1054 M N 7.136 126.542 119.600 -0.323 0.000 2.205 1054 M HA 0.522 4.993 4.480 -0.015 0.000 0.344 1054 M C -1.632 174.463 176.300 -0.341 0.000 1.085 1054 M CA -0.112 55.075 55.300 -0.190 0.000 1.001 1054 M CB 0.679 33.195 32.600 -0.140 0.000 1.626 1054 M HN 0.262 nan 8.290 nan 0.000 0.442 1055 F N 5.139 125.025 119.950 -0.106 0.000 2.361 1055 F HA 0.644 5.162 4.527 -0.015 0.000 0.364 1055 F C -0.019 175.745 175.800 -0.060 0.000 1.120 1055 F CA -0.367 57.572 58.000 -0.103 0.000 1.102 1055 F CB 0.885 39.815 39.000 -0.117 0.000 1.183 1055 F HN 0.497 nan 8.300 nan 0.000 0.476 1056 K N 3.612 124.059 120.400 0.079 0.000 2.636 1056 K HA 0.328 4.639 4.320 -0.015 0.000 0.268 1056 K C -1.842 174.798 176.600 0.067 0.000 0.958 1056 K CA -0.691 55.632 56.287 0.060 0.000 0.875 1056 K CB 1.297 33.816 32.500 0.031 0.000 1.382 1056 K HN 0.564 nan 8.250 nan 0.000 0.405 1057 L N 3.444 124.718 121.223 0.086 0.000 2.456 1057 L HA 0.168 4.499 4.340 -0.015 0.000 0.277 1057 L C -0.291 176.635 176.870 0.094 0.000 1.124 1057 L CA 0.036 54.956 54.840 0.133 0.000 0.880 1057 L CB 0.305 42.414 42.059 0.084 0.000 1.192 1057 L HN 0.482 nan 8.230 nan 0.000 0.463 1058 D N 2.960 123.434 120.400 0.124 0.000 2.440 1058 D HA 0.440 5.071 4.640 -0.015 0.000 0.239 1058 D C 0.749 177.115 176.300 0.110 0.000 1.084 1058 D CA 0.281 54.326 54.000 0.075 0.000 0.843 1058 D CB 1.514 42.334 40.800 0.033 0.000 1.097 1058 D HN 0.650 nan 8.370 nan 0.000 0.531 1059 G N 3.017 111.856 108.800 0.065 0.000 2.157 1059 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.239 1059 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.239 1059 G C 0.554 175.480 174.900 0.043 0.000 0.982 1059 G CA -0.028 45.109 45.100 0.062 0.000 0.650 1059 G HN 0.714 nan 8.290 nan 0.000 0.527 1060 C N 1.462 120.734 119.300 -0.046 0.000 2.482 1060 C HA 0.659 5.110 4.460 -0.015 0.000 0.378 1060 C C 1.767 176.655 174.990 -0.170 0.000 1.284 1060 C CA -0.321 58.530 59.018 -0.278 0.000 1.826 1060 C CB -0.355 27.008 27.740 -0.629 0.000 2.473 1060 C HN 0.479 nan 8.230 nan 0.000 0.562 1061 R N 2.299 122.727 120.500 -0.120 0.000 2.388 1061 R HA 0.118 4.449 4.340 -0.015 0.000 0.247 1061 R C -0.266 175.998 176.300 -0.061 0.000 0.931 1061 R CA -0.082 55.977 56.100 -0.068 0.000 1.082 1061 R CB -0.010 30.272 30.300 -0.030 0.000 1.135 1061 R HN 0.722 nan 8.270 nan 0.000 0.525 1062 D N 0.235 120.587 120.400 -0.081 0.000 2.428 1062 D HA 0.054 4.685 4.640 -0.015 0.000 0.221 1062 D C 0.716 176.954 176.300 -0.104 0.000 1.123 1062 D CA 0.019 53.996 54.000 -0.039 0.000 0.869 1062 D CB 1.396 42.211 40.800 0.025 0.000 1.032 1062 D HN -0.177 nan 8.370 nan 0.000 0.506 1063 T N 2.625 117.067 114.554 -0.186 0.000 2.751 1063 T HA -0.211 4.130 4.350 -0.015 0.000 0.268 1063 T C 1.064 175.550 174.700 -0.357 0.000 1.045 1063 T CA 1.340 63.238 62.100 -0.337 0.000 1.142 1063 T CB -0.191 68.357 68.868 -0.533 0.000 0.851 1063 T HN 0.532 nan 8.240 nan 0.000 0.474 1064 H N -0.275 118.797 119.070 0.004 0.000 2.529 1064 H HA 0.314 4.861 4.556 -0.015 0.000 0.277 1064 H C 1.174 176.533 175.328 0.051 0.000 1.004 1064 H CA -0.087 55.982 56.048 0.034 0.000 1.167 1064 H CB 0.294 30.059 29.762 0.005 0.000 1.445 1064 H HN 0.240 nan 8.280 nan 0.000 0.554 1065 R N 0.896 121.426 120.500 0.049 0.000 2.528 1065 R HA 0.295 4.626 4.340 -0.015 0.000 0.271 1065 R C -0.935 175.347 176.300 -0.030 0.000 1.056 1065 R CA -0.312 55.726 56.100 -0.103 0.000 1.117 1065 R CB 0.631 30.831 30.300 -0.168 0.000 1.085 1065 R HN 0.062 nan 8.270 nan 0.000 0.530 1066 Y N 0.667 120.938 120.300 -0.048 0.000 2.725 1066 Y HA 0.548 5.089 4.550 -0.015 0.000 0.333 1066 Y C -1.183 174.611 175.900 -0.176 0.000 1.242 1066 Y CA -1.611 56.381 58.100 -0.180 0.000 1.059 1066 Y CB 0.774 38.987 38.460 -0.413 0.000 1.306 1066 Y HN 0.530 nan 8.280 nan 0.000 0.454 1067 I N -2.056 118.536 120.570 0.037 0.000 3.074 1067 I HA 0.768 4.929 4.170 -0.015 0.000 0.310 1067 I C -2.093 173.960 176.117 -0.107 0.000 1.153 1067 I CA -1.271 60.059 61.300 0.050 0.000 0.993 1067 I CB 2.690 40.747 38.000 0.096 0.000 1.237 1067 I HN 0.679 nan 8.210 nan 0.000 0.443 1068 W N 4.236 125.525 121.300 -0.019 0.000 2.573 1068 W HA 0.758 5.409 4.660 -0.015 0.000 0.326 1068 W C -0.727 175.856 176.519 0.107 0.000 1.049 1068 W CA -0.536 56.775 57.345 -0.056 0.000 1.220 1068 W CB 1.947 31.233 29.460 -0.291 0.000 1.373 1068 W HN 0.384 nan 8.180 nan 0.000 0.507 1069 I N 3.677 124.579 120.570 0.553 0.000 2.865 1069 I HA 0.574 4.735 4.170 -0.015 0.000 0.302 1069 I C -1.059 175.409 176.117 0.585 0.000 1.140 1069 I CA -1.199 60.457 61.300 0.594 0.000 1.021 1069 I CB 1.639 39.844 38.000 0.341 0.000 1.233 1069 I HN 0.542 nan 8.210 nan 0.000 0.427 1070 K N 4.028 124.757 120.400 0.549 0.000 2.615 1070 K HA 0.433 4.743 4.320 -0.015 0.000 0.291 1070 K C -1.413 175.440 176.600 0.422 0.000 1.017 1070 K CA -0.711 55.714 56.287 0.230 0.000 0.882 1070 K CB 0.854 33.153 32.500 -0.334 0.000 1.522 1070 K HN 0.330 nan 8.250 nan 0.000 0.412 1071 Y N -0.975 119.499 120.300 0.290 0.000 3.234 1071 Y HA -0.205 4.336 4.550 -0.015 0.000 0.207 1071 Y C -0.602 175.546 175.900 0.413 0.000 1.316 1071 Y CA -0.116 58.160 58.100 0.293 0.000 1.309 1071 Y CB -2.362 36.249 38.460 0.251 0.000 1.408 1071 Y HN 0.640 nan 8.280 nan 0.000 0.544 1072 F N 1.928 122.130 119.950 0.420 0.000 2.529 1072 F HA 0.420 4.938 4.527 -0.015 0.000 0.365 1072 F C 0.494 176.456 175.800 0.270 0.000 1.102 1072 F CA -0.125 58.114 58.000 0.399 0.000 1.271 1072 F CB 0.490 39.691 39.000 0.335 0.000 1.120 1072 F HN 0.222 nan 8.300 nan 0.000 0.579 1073 N N 4.258 122.469 118.700 -0.813 0.000 2.277 1073 N HA 0.600 5.331 4.740 -0.015 0.000 0.286 1073 N C -2.176 172.770 175.510 -0.940 0.000 1.140 1073 N CA -0.709 51.920 53.050 -0.700 0.000 0.799 1073 N CB 1.911 40.101 38.487 -0.495 0.000 1.596 1073 N HN 0.484 nan 8.380 nan 0.000 0.473 1074 L N 1.979 122.786 121.223 -0.693 0.000 2.386 1074 L HA 0.667 4.998 4.340 -0.015 0.000 0.271 1074 L C -1.839 174.703 176.870 -0.547 0.000 0.993 1074 L CA -0.446 54.168 54.840 -0.377 0.000 0.819 1074 L CB 0.845 42.963 42.059 0.099 0.000 1.294 1074 L HN 0.517 nan 8.230 nan 0.000 0.414 1075 F N 1.909 121.884 119.950 0.041 0.000 2.546 1075 F HA 0.361 4.879 4.527 -0.015 0.000 0.320 1075 F C 0.539 176.424 175.800 0.141 0.000 1.076 1075 F CA -0.695 57.325 58.000 0.033 0.000 0.928 1075 F CB 1.688 40.664 39.000 -0.040 0.000 1.189 1075 F HN 0.607 nan 8.300 nan 0.000 0.465 1076 D N 0.186 120.777 120.400 0.319 0.000 2.336 1076 D HA 0.055 4.686 4.640 -0.015 0.000 0.228 1076 D C -0.110 176.354 176.300 0.273 0.000 1.120 1076 D CA -0.015 54.168 54.000 0.305 0.000 0.839 1076 D CB -0.164 40.807 40.800 0.285 0.000 0.932 1076 D HN 0.664 nan 8.370 nan 0.000 0.509 1077 K N -1.174 119.358 120.400 0.220 0.000 2.372 1077 K HA 0.404 4.715 4.320 -0.015 0.000 0.251 1077 K C -0.811 175.810 176.600 0.036 0.000 1.055 1077 K CA -1.026 55.335 56.287 0.123 0.000 0.879 1077 K CB 1.523 34.062 32.500 0.066 0.000 1.384 1077 K HN -0.106 nan 8.250 nan 0.000 0.465 1078 E N 2.207 122.397 120.200 -0.017 0.000 2.081 1078 E HA 0.189 4.530 4.350 -0.015 0.000 0.276 1078 E C -0.880 175.630 176.600 -0.151 0.000 0.950 1078 E CA -0.609 55.735 56.400 -0.093 0.000 0.776 1078 E CB 0.672 30.340 29.700 -0.054 0.000 1.094 1078 E HN 0.471 nan 8.360 nan 0.000 0.402 1079 L N 4.302 125.376 121.223 -0.249 0.000 2.453 1079 L HA 0.085 4.416 4.340 -0.015 0.000 0.272 1079 L C 0.684 177.398 176.870 -0.259 0.000 1.182 1079 L CA -0.463 54.192 54.840 -0.309 0.000 0.858 1079 L CB 0.046 41.829 42.059 -0.460 0.000 1.120 1079 L HN 0.613 nan 8.230 nan 0.000 0.474 1080 N N 0.706 119.277 118.700 -0.215 0.000 2.424 1080 N HA 0.012 4.743 4.740 -0.015 0.000 0.257 1080 N C 0.618 175.985 175.510 -0.239 0.000 1.250 1080 N CA -0.559 52.388 53.050 -0.172 0.000 0.946 1080 N CB 0.527 38.943 38.487 -0.117 0.000 1.175 1080 N HN 0.640 nan 8.380 nan 0.000 0.477 1081 E N 0.173 120.271 120.200 -0.171 0.000 2.095 1081 E HA -0.417 3.924 4.350 -0.015 0.000 0.212 1081 E C 1.415 177.912 176.600 -0.172 0.000 1.044 1081 E CA 1.928 58.227 56.400 -0.169 0.000 0.857 1081 E CB -0.071 29.606 29.700 -0.038 0.000 0.764 1081 E HN 0.716 nan 8.360 nan 0.000 0.462 1082 K N 0.423 120.752 120.400 -0.120 0.000 2.009 1082 K HA -0.249 4.061 4.320 -0.015 0.000 0.210 1082 K C 2.043 178.568 176.600 -0.124 0.000 1.049 1082 K CA 1.997 58.225 56.287 -0.099 0.000 0.929 1082 K CB -0.124 32.328 32.500 -0.080 0.000 0.714 1082 K HN 0.151 nan 8.250 nan 0.000 0.440 1083 E N 0.541 120.644 120.200 -0.161 0.000 2.086 1083 E HA -0.233 4.107 4.350 -0.015 0.000 0.200 1083 E C 2.083 178.565 176.600 -0.197 0.000 1.012 1083 E CA 1.966 58.252 56.400 -0.191 0.000 0.812 1083 E CB -0.200 29.350 29.700 -0.251 0.000 0.743 1083 E HN 0.397 nan 8.360 nan 0.000 0.453 1084 I N 0.793 121.207 120.570 -0.260 0.000 2.226 1084 I HA -0.298 3.863 4.170 -0.015 0.000 0.245 1084 I C 2.290 178.375 176.117 -0.053 0.000 1.100 1084 I CA 1.263 62.415 61.300 -0.248 0.000 1.374 1084 I CB -0.254 37.407 38.000 -0.565 0.000 1.057 1084 I HN 0.057 nan 8.210 nan 0.000 0.413 1085 K N 0.553 120.919 120.400 -0.057 0.000 2.057 1085 K HA -0.175 4.136 4.320 -0.015 0.000 0.206 1085 K C 1.741 178.368 176.600 0.044 0.000 1.050 1085 K CA 1.552 57.873 56.287 0.057 0.000 0.935 1085 K CB -0.160 32.357 32.500 0.028 0.000 0.715 1085 K HN 0.220 nan 8.250 nan 0.000 0.439 1086 D N 1.043 121.426 120.400 -0.028 0.000 2.104 1086 D HA -0.175 4.456 4.640 -0.015 0.000 0.194 1086 D C 1.787 178.057 176.300 -0.051 0.000 0.994 1086 D CA 0.852 54.822 54.000 -0.050 0.000 0.830 1086 D CB -0.278 40.477 40.800 -0.074 0.000 0.959 1086 D HN -0.020 nan 8.370 nan 0.000 0.452 1087 L N 0.059 121.255 121.223 -0.045 0.000 2.079 1087 L HA -0.214 4.116 4.340 -0.015 0.000 0.210 1087 L C 2.167 178.955 176.870 -0.135 0.000 1.081 1087 L CA 1.475 56.287 54.840 -0.047 0.000 0.752 1087 L CB -0.674 41.400 42.059 0.026 0.000 0.896 1087 L HN 0.070 nan 8.230 nan 0.000 0.433 1088 Y N 0.549 120.653 120.300 -0.328 0.000 2.145 1088 Y HA -0.234 4.307 4.550 -0.015 0.000 0.286 1088 Y C 2.250 178.039 175.900 -0.186 0.000 1.145 1088 Y CA 1.956 59.751 58.100 -0.508 0.000 1.148 1088 Y CB -0.576 37.747 38.460 -0.228 0.000 0.981 1088 Y HN 0.333 nan 8.280 nan 0.000 0.507 1089 D N -0.468 119.833 120.400 -0.166 0.000 2.178 1089 D HA -0.165 4.466 4.640 -0.015 0.000 0.202 1089 D C 1.867 178.073 176.300 -0.157 0.000 0.974 1089 D CA 1.170 55.038 54.000 -0.221 0.000 0.841 1089 D CB -0.436 40.269 40.800 -0.158 0.000 0.953 1089 D HN 0.488 nan 8.370 nan 0.000 0.478 1090 N N 0.536 119.162 118.700 -0.123 0.000 2.188 1090 N HA -0.106 4.625 4.740 -0.015 0.000 0.184 1090 N C 1.282 176.706 175.510 -0.142 0.000 1.018 1090 N CA 0.711 53.689 53.050 -0.119 0.000 0.858 1090 N CB 0.049 38.473 38.487 -0.105 0.000 0.989 1090 N HN 0.371 nan 8.380 nan 0.000 0.426 1091 Q N -0.147 119.579 119.800 -0.124 0.000 2.360 1091 Q HA 0.200 4.531 4.340 -0.015 0.000 0.202 1091 Q C 1.222 177.082 176.000 -0.233 0.000 0.915 1091 Q CA -0.024 55.673 55.803 -0.176 0.000 0.943 1091 Q CB 0.479 29.207 28.738 -0.016 0.000 1.064 1091 Q HN 0.135 nan 8.270 nan 0.000 0.511 1092 S N 1.337 116.932 115.700 -0.175 0.000 2.515 1092 S HA -0.051 4.410 4.470 -0.015 0.000 0.231 1092 S C 0.507 174.996 174.600 -0.184 0.000 0.987 1092 S CA 0.128 58.195 58.200 -0.221 0.000 0.936 1092 S CB -0.016 63.066 63.200 -0.196 0.000 0.766 1092 S HN 0.452 nan 8.310 nan 0.000 0.528 1093 N N 1.093 119.708 118.700 -0.141 0.000 2.756 1093 N HA -0.144 4.587 4.740 -0.015 0.000 0.248 1093 N C 0.852 176.314 175.510 -0.080 0.000 1.062 1093 N CA 0.772 53.774 53.050 -0.080 0.000 0.696 1093 N CB -1.332 37.167 38.487 0.020 0.000 0.946 1093 N HN 0.600 nan 8.380 nan 0.000 0.548 1094 S N -2.119 113.524 115.700 -0.094 0.000 2.507 1094 S HA -0.012 4.449 4.470 -0.015 0.000 0.235 1094 S C 1.988 176.542 174.600 -0.076 0.000 0.988 1094 S CA 0.972 59.121 58.200 -0.085 0.000 0.944 1094 S CB -0.032 63.114 63.200 -0.090 0.000 0.762 1094 S HN 0.461 nan 8.310 nan 0.000 0.526 1095 G N 1.092 109.842 108.800 -0.083 0.000 2.498 1095 G HA2 0.160 4.111 3.960 -0.015 0.000 0.219 1095 G HA3 0.160 4.111 3.960 -0.015 0.000 0.219 1095 G C 0.484 175.320 174.900 -0.107 0.000 1.119 1095 G CA 0.251 45.301 45.100 -0.085 0.000 0.766 1095 G HN 0.588 nan 8.290 nan 0.000 0.552 1096 I N 0.417 120.911 120.570 -0.126 0.000 2.493 1096 I HA 0.347 4.508 4.170 -0.015 0.000 0.298 1096 I C -0.563 175.495 176.117 -0.099 0.000 0.998 1096 I CA -1.128 60.069 61.300 -0.172 0.000 1.137 1096 I CB 2.185 39.978 38.000 -0.345 0.000 1.310 1096 I HN -0.206 nan 8.210 nan 0.000 0.445 1097 L N 6.161 127.317 121.223 -0.111 0.000 2.439 1097 L HA 0.376 4.707 4.340 -0.015 0.000 0.261 1097 L C 0.069 176.914 176.870 -0.043 0.000 1.153 1097 L CA 0.105 54.893 54.840 -0.087 0.000 0.808 1097 L CB 0.234 42.204 42.059 -0.148 0.000 1.126 1097 L HN 0.442 nan 8.230 nan 0.000 0.460 1098 K N 0.591 120.974 120.400 -0.028 0.000 2.435 1098 K HA 0.444 4.755 4.320 -0.015 0.000 0.251 1098 K C -1.136 175.455 176.600 -0.015 0.000 0.954 1098 K CA -0.918 55.380 56.287 0.018 0.000 0.820 1098 K CB 1.900 34.421 32.500 0.035 0.000 1.292 1098 K HN 0.619 nan 8.250 nan 0.000 0.436 1099 D N -0.286 120.128 120.400 0.023 0.000 2.478 1099 D HA 0.045 4.675 4.640 -0.015 0.000 0.269 1099 D C 1.050 177.374 176.300 0.040 0.000 1.232 1099 D CA -0.564 53.452 54.000 0.027 0.000 1.059 1099 D CB 0.188 41.074 40.800 0.142 0.000 1.104 1099 D HN 0.405 nan 8.370 nan 0.000 0.566 1100 F N -0.502 119.315 119.950 -0.221 0.000 2.154 1100 F HA -0.087 4.431 4.527 -0.015 0.000 0.301 1100 F C 1.501 177.103 175.800 -0.330 0.000 1.087 1100 F CA 1.275 59.037 58.000 -0.395 0.000 1.274 1100 F CB -0.172 38.397 39.000 -0.718 0.000 1.009 1100 F HN 0.394 nan 8.300 nan 0.000 0.485 1101 W N -0.365 120.989 121.300 0.089 0.000 2.678 1101 W HA 0.248 4.898 4.660 -0.015 0.000 0.256 1101 W C 2.001 178.554 176.519 0.056 0.000 1.280 1101 W CA 0.623 57.962 57.345 -0.011 0.000 1.345 1101 W CB -0.347 29.151 29.460 0.062 0.000 1.118 1101 W HN 0.238 nan 8.180 nan 0.000 0.629 1102 G N -0.565 108.403 108.800 0.279 0.000 2.213 1102 G HA2 -0.246 3.704 3.960 -0.015 0.000 0.226 1102 G HA3 -0.246 3.704 3.960 -0.015 0.000 0.226 1102 G C 0.047 175.092 174.900 0.242 0.000 0.992 1102 G CA -0.157 45.132 45.100 0.314 0.000 0.632 1102 G HN 0.126 nan 8.290 nan 0.000 0.511 1103 D N 0.192 120.758 120.400 0.277 0.000 2.357 1103 D HA 0.381 5.012 4.640 -0.015 0.000 0.242 1103 D C 0.608 176.939 176.300 0.050 0.000 1.153 1103 D CA -0.106 53.933 54.000 0.064 0.000 0.918 1103 D CB 0.214 41.074 40.800 0.100 0.000 1.181 1103 D HN 0.103 nan 8.370 nan 0.000 0.435 1104 Y N 0.583 120.872 120.300 -0.020 0.000 2.717 1104 Y HA -0.006 4.535 4.550 -0.015 0.000 0.330 1104 Y C 0.804 176.687 175.900 -0.028 0.000 1.217 1104 Y CA -0.323 57.745 58.100 -0.053 0.000 1.506 1104 Y CB -0.248 38.172 38.460 -0.066 0.000 1.268 1104 Y HN 0.179 nan 8.280 nan 0.000 0.561 1105 L N 4.768 126.033 121.223 0.070 0.000 2.455 1105 L HA 0.109 4.440 4.340 -0.015 0.000 0.272 1105 L C -0.214 176.609 176.870 -0.078 0.000 1.174 1105 L CA 0.371 55.163 54.840 -0.079 0.000 0.869 1105 L CB 0.182 42.044 42.059 -0.327 0.000 1.130 1105 L HN 0.658 nan 8.230 nan 0.000 0.474 1106 Q N 3.255 123.083 119.800 0.045 0.000 2.399 1106 Q HA 0.363 4.694 4.340 -0.015 0.000 0.276 1106 Q C -1.382 174.584 176.000 -0.057 0.000 1.098 1106 Q CA -0.878 54.919 55.803 -0.011 0.000 0.827 1106 Q CB 1.715 30.509 28.738 0.092 0.000 1.386 1106 Q HN 0.466 nan 8.270 nan 0.000 0.443 1107 Y N 0.759 121.099 120.300 0.066 0.000 2.379 1107 Y HA -0.035 4.506 4.550 -0.015 0.000 0.337 1107 Y C 0.310 176.235 175.900 0.042 0.000 1.238 1107 Y CA 0.328 58.462 58.100 0.057 0.000 1.405 1107 Y CB 0.640 39.120 38.460 0.034 0.000 1.310 1107 Y HN 0.641 nan 8.280 nan 0.000 0.569 1108 D N 1.402 121.934 120.400 0.221 0.000 2.705 1108 D HA -0.225 4.406 4.640 -0.015 0.000 0.240 1108 D C -0.505 175.807 176.300 0.021 0.000 1.137 1108 D CA 1.004 55.069 54.000 0.108 0.000 0.677 1108 D CB -0.713 40.145 40.800 0.097 0.000 1.049 1108 D HN 0.558 nan 8.370 nan 0.000 0.427 1109 K N 0.063 120.437 120.400 -0.043 0.000 2.589 1109 K HA 0.422 4.733 4.320 -0.015 0.000 0.253 1109 K C -3.142 173.211 176.600 -0.411 0.000 0.974 1109 K CA -1.479 54.678 56.287 -0.217 0.000 0.835 1109 K CB 2.231 34.583 32.500 -0.247 0.000 1.272 1109 K HN -0.301 nan 8.250 nan 0.000 0.444 1110 P HA 0.158 nan 4.420 nan 0.000 0.276 1110 P C -1.480 175.554 177.300 -0.444 0.000 1.230 1110 P CA 0.022 62.943 63.100 -0.298 0.000 0.776 1110 P CB 0.225 31.781 31.700 -0.240 0.000 0.888 1111 Y N 1.100 121.369 120.300 -0.052 0.000 2.421 1111 Y HA 0.388 4.929 4.550 -0.015 0.000 0.339 1111 Y C -0.044 175.757 175.900 -0.165 0.000 0.996 1111 Y CA -0.869 57.224 58.100 -0.011 0.000 1.046 1111 Y CB 1.525 40.147 38.460 0.269 0.000 1.226 1111 Y HN 0.318 nan 8.280 nan 0.000 0.445 1112 Y N 3.146 123.511 120.300 0.109 0.000 2.301 1112 Y HA 0.375 4.916 4.550 -0.015 0.000 0.325 1112 Y C 0.156 175.950 175.900 -0.177 0.000 1.203 1112 Y CA -0.682 57.402 58.100 -0.027 0.000 1.255 1112 Y CB 0.782 39.237 38.460 -0.009 0.000 1.232 1112 Y HN 0.295 nan 8.280 nan 0.000 0.501 1113 M N 4.089 123.589 119.600 -0.167 0.000 2.336 1113 M HA 0.339 4.809 4.480 -0.015 0.000 0.342 1113 M C -1.293 174.969 176.300 -0.063 0.000 1.128 1113 M CA -0.813 54.272 55.300 -0.358 0.000 1.016 1113 M CB 1.475 33.563 32.600 -0.853 0.000 1.665 1113 M HN 0.553 nan 8.290 nan 0.000 0.445 1114 L N 4.183 125.397 121.223 -0.015 0.000 2.349 1114 L HA 0.472 4.803 4.340 -0.015 0.000 0.278 1114 L C -0.414 176.473 176.870 0.029 0.000 0.996 1114 L CA -0.067 54.765 54.840 -0.013 0.000 0.825 1114 L CB 1.119 43.080 42.059 -0.163 0.000 1.243 1114 L HN 0.657 nan 8.230 nan 0.000 0.412 1115 N N 4.732 123.357 118.700 -0.124 0.000 2.472 1115 N HA 0.191 4.921 4.740 -0.015 0.000 0.277 1115 N C 0.645 176.010 175.510 -0.241 0.000 1.081 1115 N CA -0.184 52.569 53.050 -0.495 0.000 0.973 1115 N CB 1.340 39.391 38.487 -0.727 0.000 1.105 1115 N HN 0.832 nan 8.380 nan 0.000 0.470 1116 L N 3.211 124.307 121.223 -0.211 0.000 2.395 1116 L HA -0.070 4.261 4.340 -0.015 0.000 0.218 1116 L C 1.420 178.282 176.870 -0.013 0.000 1.130 1116 L CA 0.575 55.367 54.840 -0.080 0.000 0.826 1116 L CB -0.219 41.804 42.059 -0.059 0.000 0.941 1116 L HN 0.637 nan 8.230 nan 0.000 0.451 1117 Y N -0.519 119.709 120.300 -0.120 0.000 2.397 1117 Y HA 0.017 4.558 4.550 -0.015 0.000 0.292 1117 Y C 0.722 176.633 175.900 0.018 0.000 1.115 1117 Y CA 0.672 58.764 58.100 -0.014 0.000 1.208 1117 Y CB 0.619 39.114 38.460 0.058 0.000 1.046 1117 Y HN -0.023 nan 8.280 nan 0.000 0.552 1118 D N -0.507 119.945 120.400 0.086 0.000 2.378 1118 D HA 0.235 4.866 4.640 -0.015 0.000 0.265 1118 D C -2.422 173.820 176.300 -0.097 0.000 1.229 1118 D CA -1.878 52.094 54.000 -0.047 0.000 0.914 1118 D CB 1.407 42.145 40.800 -0.104 0.000 1.140 1118 D HN 0.043 nan 8.370 nan 0.000 0.516 1119 P HA 0.060 nan 4.420 nan 0.000 0.240 1119 P C 0.702 177.979 177.300 -0.037 0.000 1.190 1119 P CA 0.272 63.336 63.100 -0.061 0.000 0.781 1119 P CB 0.336 32.009 31.700 -0.046 0.000 0.931 1120 N N 0.281 118.962 118.700 -0.032 0.000 2.375 1120 N HA 0.048 4.779 4.740 -0.015 0.000 0.220 1120 N C -0.134 175.373 175.510 -0.004 0.000 1.170 1120 N CA 0.206 53.253 53.050 -0.004 0.000 0.833 1120 N CB -0.358 38.130 38.487 0.001 0.000 1.069 1120 N HN 0.046 nan 8.380 nan 0.000 0.479 1121 K N -0.357 120.025 120.400 -0.029 0.000 2.480 1121 K HA 0.315 4.626 4.320 -0.015 0.000 0.258 1121 K C -1.376 175.232 176.600 0.014 0.000 0.990 1121 K CA -0.911 55.327 56.287 -0.082 0.000 0.857 1121 K CB 1.959 34.334 32.500 -0.208 0.000 1.384 1121 K HN 0.061 nan 8.250 nan 0.000 0.446 1122 Y N -2.999 117.253 120.300 -0.081 0.000 2.644 1122 Y HA 0.597 5.138 4.550 -0.015 0.000 0.338 1122 Y C -0.730 175.122 175.900 -0.080 0.000 1.119 1122 Y CA -1.429 56.637 58.100 -0.056 0.000 1.060 1122 Y CB 0.469 38.906 38.460 -0.037 0.000 1.294 1122 Y HN 0.122 nan 8.280 nan 0.000 0.472 1123 V N 1.933 121.931 119.914 0.139 0.000 2.583 1123 V HA 0.334 4.445 4.120 -0.015 0.000 0.287 1123 V C -0.657 175.453 176.094 0.027 0.000 1.051 1123 V CA 0.194 62.519 62.300 0.041 0.000 1.010 1123 V CB 0.931 32.834 31.823 0.133 0.000 0.988 1123 V HN 0.854 nan 8.190 nan 0.000 0.478 1124 D N 1.811 122.078 120.400 -0.222 0.000 2.559 1124 D HA 0.661 5.292 4.640 -0.015 0.000 0.250 1124 D C -1.377 174.899 176.300 -0.040 0.000 1.135 1124 D CA -0.275 53.614 54.000 -0.185 0.000 0.955 1124 D CB 2.447 42.983 40.800 -0.439 0.000 1.442 1124 D HN 0.315 nan 8.370 nan 0.000 0.471 1125 V N 3.027 122.991 119.914 0.084 0.000 2.417 1125 V HA 0.293 4.404 4.120 -0.015 0.000 0.291 1125 V C 1.212 177.391 176.094 0.142 0.000 1.024 1125 V CA -0.800 61.567 62.300 0.111 0.000 0.861 1125 V CB 1.398 33.206 31.823 -0.025 0.000 0.985 1125 V HN 0.682 nan 8.190 nan 0.000 0.436 1126 N N 3.346 122.048 118.700 0.003 0.000 2.300 1126 N HA -0.032 4.699 4.740 -0.015 0.000 0.179 1126 N C 0.181 175.558 175.510 -0.221 0.000 1.016 1126 N CA 0.918 53.844 53.050 -0.207 0.000 0.876 1126 N CB 0.128 38.193 38.487 -0.703 0.000 0.979 1126 N HN 0.633 nan 8.380 nan 0.000 0.432 1127 N N -0.352 118.191 118.700 -0.262 0.000 2.555 1127 N HA 0.161 4.892 4.740 -0.015 0.000 0.265 1127 N C -1.258 174.131 175.510 -0.201 0.000 1.135 1127 N CA -0.556 52.374 53.050 -0.200 0.000 0.925 1127 N CB 2.842 41.216 38.487 -0.189 0.000 1.662 1127 N HN 0.038 nan 8.380 nan 0.000 0.489 1128 V N -0.081 119.706 119.914 -0.212 0.000 3.051 1128 V HA 0.894 5.005 4.120 -0.015 0.000 0.306 1128 V C 0.999 177.001 176.094 -0.154 0.000 1.083 1128 V CA 0.628 62.756 62.300 -0.287 0.000 1.104 1128 V CB 0.253 31.849 31.823 -0.378 0.000 1.027 1128 V HN 1.016 nan 8.190 nan 0.000 0.483 1129 G N 2.386 111.116 108.800 -0.117 0.000 2.796 1129 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.571 1129 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.571 1129 G C -0.078 174.809 174.900 -0.023 0.000 1.370 1129 G CA -0.130 44.948 45.100 -0.038 0.000 0.856 1129 G HN 1.273 nan 8.290 nan 0.000 0.538 1130 I N -0.327 120.243 120.570 0.000 0.000 2.614 1130 I HA -0.087 4.074 4.170 -0.015 0.000 0.258 1130 I C 2.820 178.951 176.117 0.023 0.000 1.189 1130 I CA 1.374 62.684 61.300 0.015 0.000 1.462 1130 I CB -0.295 37.715 38.000 0.017 0.000 1.092 1130 I HN 0.438 nan 8.210 nan 0.000 0.442 1131 R N 1.328 121.832 120.500 0.008 0.000 2.090 1131 R HA 0.060 4.391 4.340 -0.015 0.000 0.228 1131 R C 1.446 177.754 176.300 0.013 0.000 1.110 1131 R CA 0.833 56.941 56.100 0.012 0.000 0.973 1131 R CB -0.728 29.568 30.300 -0.006 0.000 0.869 1131 R HN 0.371 nan 8.270 nan 0.000 0.440 1132 G N -1.736 107.040 108.800 -0.039 0.000 2.489 1132 G HA2 0.331 4.282 3.960 -0.015 0.000 0.271 1132 G HA3 0.331 4.282 3.960 -0.015 0.000 0.271 1132 G C -0.840 174.057 174.900 -0.005 0.000 1.427 1132 G CA 0.238 45.257 45.100 -0.136 0.000 1.057 1132 G HN 0.317 nan 8.290 nan 0.000 0.532 1133 Y N -3.939 116.372 120.300 0.019 0.000 2.779 1133 Y HA 0.647 5.188 4.550 -0.015 0.000 0.340 1133 Y C -0.734 175.242 175.900 0.128 0.000 1.252 1133 Y CA -1.789 56.346 58.100 0.059 0.000 1.072 1133 Y CB 0.778 39.273 38.460 0.058 0.000 1.343 1133 Y HN 0.520 nan 8.280 nan 0.000 0.450 1134 M N 2.231 122.102 119.600 0.452 0.000 2.578 1134 M HA 0.669 5.140 4.480 -0.015 0.000 0.321 1134 M C -1.438 175.217 176.300 0.591 0.000 1.182 1134 M CA -0.832 54.721 55.300 0.423 0.000 0.965 1134 M CB 2.290 35.040 32.600 0.249 0.000 1.694 1134 M HN 0.869 nan 8.290 nan 0.000 0.461 1135 Y N -0.755 119.695 120.300 0.251 0.000 2.638 1135 Y HA 0.762 5.303 4.550 -0.015 0.000 0.335 1135 Y C -2.072 173.867 175.900 0.064 0.000 1.155 1135 Y CA -1.537 56.670 58.100 0.179 0.000 1.046 1135 Y CB 1.308 39.910 38.460 0.236 0.000 1.303 1135 Y HN 0.562 nan 8.280 nan 0.000 0.460 1136 L N 3.491 124.677 121.223 -0.061 0.000 2.289 1136 L HA 0.537 4.868 4.340 -0.015 0.000 0.285 1136 L C -0.550 176.135 176.870 -0.309 0.000 1.049 1136 L CA -0.693 53.980 54.840 -0.277 0.000 0.804 1136 L CB 1.537 43.398 42.059 -0.330 0.000 1.195 1136 L HN 0.809 nan 8.230 nan 0.000 0.428 1137 K N 1.841 121.904 120.400 -0.561 0.000 2.435 1137 K HA 0.890 5.201 4.320 -0.015 0.000 0.251 1137 K C -0.722 175.522 176.600 -0.594 0.000 0.954 1137 K CA -0.810 55.202 56.287 -0.459 0.000 0.820 1137 K CB 2.559 34.816 32.500 -0.405 0.000 1.292 1137 K HN 0.561 nan 8.250 nan 0.000 0.436 1138 G N 1.123 109.764 108.800 -0.265 0.000 2.818 1138 G HA2 0.697 4.647 3.960 -0.015 0.000 0.286 1138 G HA3 0.697 4.647 3.960 -0.015 0.000 0.286 1138 G C -2.709 172.201 174.900 0.017 0.000 1.364 1138 G CA -1.227 43.809 45.100 -0.107 0.000 0.938 1138 G HN 0.576 nan 8.290 nan 0.000 0.490 1139 P HA 0.504 nan 4.420 nan 0.000 0.284 1139 P C -0.546 176.884 177.300 0.217 0.000 1.287 1139 P CA -0.840 62.322 63.100 0.103 0.000 0.824 1139 P CB 1.179 32.920 31.700 0.069 0.000 1.180 1140 R N -0.360 120.251 120.500 0.186 0.000 2.582 1140 R HA 0.490 4.821 4.340 -0.015 0.000 0.271 1140 R C 1.049 177.390 176.300 0.069 0.000 1.078 1140 R CA -0.417 55.764 56.100 0.135 0.000 1.127 1140 R CB -0.046 30.304 30.300 0.083 0.000 1.038 1140 R HN 0.624 nan 8.270 nan 0.000 0.500 1141 G N 0.716 109.530 108.800 0.023 0.000 2.647 1141 G HA2 0.037 3.988 3.960 -0.015 0.000 0.271 1141 G HA3 0.037 3.988 3.960 -0.015 0.000 0.271 1141 G C -0.365 174.561 174.900 0.042 0.000 1.300 1141 G CA -0.380 44.736 45.100 0.027 0.000 0.997 1141 G HN 0.431 nan 8.290 nan 0.000 0.533 1142 S N -1.919 113.807 115.700 0.045 0.000 2.690 1142 S HA 0.640 5.100 4.470 -0.015 0.000 0.291 1142 S C -0.059 174.578 174.600 0.063 0.000 1.138 1142 S CA -0.403 57.835 58.200 0.062 0.000 1.013 1142 S CB 1.599 64.831 63.200 0.053 0.000 1.053 1142 S HN 1.048 nan 8.310 nan 0.000 0.539 1143 V N 0.690 120.662 119.914 0.097 0.000 2.735 1143 V HA 0.897 5.007 4.120 -0.015 0.000 0.310 1143 V C -0.709 175.465 176.094 0.133 0.000 1.061 1143 V CA -1.006 61.358 62.300 0.107 0.000 0.913 1143 V CB 1.282 33.169 31.823 0.106 0.000 1.005 1143 V HN 1.011 nan 8.190 nan 0.000 0.428 1144 M N 2.392 121.993 119.600 0.002 0.000 2.520 1144 M HA 0.795 5.266 4.480 -0.015 0.000 0.280 1144 M C -1.465 174.455 176.300 -0.635 0.000 1.232 1144 M CA -0.188 54.923 55.300 -0.316 0.000 0.892 1144 M CB 2.606 35.101 32.600 -0.174 0.000 1.728 1144 M HN 0.571 nan 8.290 nan 0.000 0.475 1145 T N 1.403 115.295 114.554 -1.103 0.000 2.840 1145 T HA 0.348 4.689 4.350 -0.015 0.000 0.287 1145 T C -0.462 174.014 174.700 -0.374 0.000 0.991 1145 T CA -0.408 61.331 62.100 -0.601 0.000 0.964 1145 T CB 1.596 70.150 68.868 -0.522 0.000 0.954 1145 T HN 0.779 nan 8.240 nan 0.000 0.438 1146 T N 5.161 119.589 114.554 -0.211 0.000 2.765 1146 T HA -0.031 4.310 4.350 -0.015 0.000 0.275 1146 T C 1.041 175.666 174.700 -0.124 0.000 1.007 1146 T CA 0.818 62.836 62.100 -0.138 0.000 1.175 1146 T CB -0.196 68.616 68.868 -0.093 0.000 0.993 1146 T HN 0.777 nan 8.240 nan 0.000 0.510 1147 N N 1.373 120.010 118.700 -0.106 0.000 2.967 1147 N HA -0.177 4.554 4.740 -0.015 0.000 0.218 1147 N C 0.513 175.969 175.510 -0.090 0.000 0.870 1147 N CA 1.379 54.372 53.050 -0.095 0.000 1.030 1147 N CB -1.019 37.406 38.487 -0.103 0.000 1.027 1147 N HN 0.501 nan 8.380 nan 0.000 0.603 1148 I N -0.804 119.720 120.570 -0.077 0.000 3.194 1148 I HA 0.150 4.311 4.170 -0.015 0.000 0.271 1148 I C 0.557 176.807 176.117 0.220 0.000 1.150 1148 I CA 0.698 62.037 61.300 0.065 0.000 1.440 1148 I CB -0.013 38.050 38.000 0.105 0.000 1.276 1148 I HN 0.281 nan 8.210 nan 0.000 0.457 1149 Y N -0.653 119.667 120.300 0.032 0.000 2.638 1149 Y HA 0.766 5.307 4.550 -0.015 0.000 0.335 1149 Y C -1.558 174.337 175.900 -0.009 0.000 1.155 1149 Y CA -2.155 55.949 58.100 0.006 0.000 1.046 1149 Y CB 1.378 39.786 38.460 -0.086 0.000 1.303 1149 Y HN -0.141 nan 8.280 nan 0.000 0.460 1150 L N 3.195 124.554 121.223 0.228 0.000 2.596 1150 L HA 0.603 4.934 4.340 -0.015 0.000 0.265 1150 L C -2.254 174.736 176.870 0.200 0.000 0.962 1150 L CA -0.714 54.219 54.840 0.155 0.000 0.891 1150 L CB 1.448 43.547 42.059 0.066 0.000 1.248 1150 L HN 0.949 nan 8.230 nan 0.000 0.410 1151 N N 1.747 120.583 118.700 0.227 0.000 2.357 1151 N HA 0.630 5.361 4.740 -0.015 0.000 0.284 1151 N C -1.097 174.543 175.510 0.217 0.000 1.236 1151 N CA -0.923 52.276 53.050 0.249 0.000 0.774 1151 N CB 1.814 40.517 38.487 0.359 0.000 1.534 1151 N HN 0.445 nan 8.380 nan 0.000 0.478 1152 S N 0.332 116.152 115.700 0.199 0.000 2.560 1152 S HA 0.036 4.497 4.470 -0.015 0.000 0.284 1152 S C 0.281 174.983 174.600 0.170 0.000 1.327 1152 S CA -0.355 57.928 58.200 0.139 0.000 1.055 1152 S CB 0.568 63.819 63.200 0.084 0.000 0.868 1152 S HN 0.516 nan 8.310 nan 0.000 0.506 1153 S N 1.783 117.540 115.700 0.096 0.000 2.531 1153 S HA 0.235 4.696 4.470 -0.015 0.000 0.279 1153 S C 0.699 175.291 174.600 -0.015 0.000 1.305 1153 S CA -0.631 57.609 58.200 0.066 0.000 1.058 1153 S CB -0.124 63.074 63.200 -0.004 0.000 0.899 1153 S HN 0.614 nan 8.310 nan 0.000 0.493 1154 L N 4.192 125.387 121.223 -0.047 0.000 2.609 1154 L HA 0.267 4.598 4.340 -0.015 0.000 0.230 1154 L C -0.074 176.714 176.870 -0.136 0.000 1.087 1154 L CA -0.047 54.682 54.840 -0.185 0.000 0.874 1154 L CB -0.019 41.776 42.059 -0.439 0.000 1.114 1154 L HN 0.629 nan 8.230 nan 0.000 0.488 1155 Y N 2.420 122.473 120.300 -0.413 0.000 2.826 1155 Y HA 0.329 4.870 4.550 -0.015 0.000 0.371 1155 Y C 0.426 175.713 175.900 -1.021 0.000 1.252 1155 Y CA -0.702 56.751 58.100 -1.078 0.000 1.813 1155 Y CB -0.824 37.288 38.460 -0.581 0.000 1.913 1155 Y HN 0.018 nan 8.280 nan 0.000 0.447 1156 R N -0.481 119.655 120.500 -0.608 0.000 2.854 1156 R HA 0.729 5.060 4.340 -0.015 0.000 0.271 1156 R C 0.423 176.664 176.300 -0.097 0.000 0.994 1156 R CA -0.445 55.413 56.100 -0.404 0.000 0.945 1156 R CB 1.767 31.725 30.300 -0.569 0.000 1.194 1156 R HN 0.512 nan 8.270 nan 0.000 0.476 1157 G N 0.116 108.840 108.800 -0.126 0.000 2.796 1157 G HA2 -0.272 3.679 3.960 -0.015 0.000 0.571 1157 G HA3 -0.272 3.679 3.960 -0.015 0.000 0.571 1157 G C -0.613 174.462 174.900 0.292 0.000 1.370 1157 G CA -0.183 45.058 45.100 0.235 0.000 0.856 1157 G HN 0.623 nan 8.290 nan 0.000 0.538 1158 T N 0.738 115.455 114.554 0.272 0.000 2.779 1158 T HA 0.460 4.801 4.350 -0.015 0.000 0.296 1158 T C 0.890 175.767 174.700 0.295 0.000 0.938 1158 T CA 0.256 62.502 62.100 0.244 0.000 1.119 1158 T CB -0.122 68.876 68.868 0.216 0.000 0.891 1158 T HN 0.576 nan 8.240 nan 0.000 0.526 1159 K N 3.427 123.922 120.400 0.158 0.000 2.258 1159 K HA 0.312 4.623 4.320 -0.015 0.000 0.264 1159 K C -0.704 176.132 176.600 0.393 0.000 1.007 1159 K CA -0.188 56.152 56.287 0.088 0.000 0.941 1159 K CB 0.436 32.827 32.500 -0.181 0.000 0.966 1159 K HN 0.407 nan 8.250 nan 0.000 0.480 1160 F N 2.022 121.970 119.950 -0.003 0.000 2.495 1160 F HA 0.455 4.973 4.527 -0.015 0.000 0.327 1160 F C 0.122 176.021 175.800 0.166 0.000 1.103 1160 F CA -1.087 56.964 58.000 0.086 0.000 0.949 1160 F CB 0.958 40.021 39.000 0.104 0.000 1.142 1160 F HN 0.207 nan 8.300 nan 0.000 0.457 1161 I N 4.473 125.198 120.570 0.258 0.000 2.436 1161 I HA 0.402 4.562 4.170 -0.015 0.000 0.289 1161 I C -0.600 175.656 176.117 0.232 0.000 1.010 1161 I CA -0.528 60.901 61.300 0.214 0.000 1.098 1161 I CB 1.860 39.921 38.000 0.102 0.000 1.266 1161 I HN 0.355 nan 8.210 nan 0.000 0.434 1162 I N 6.756 127.483 120.570 0.261 0.000 2.342 1162 I HA 0.268 4.429 4.170 -0.015 0.000 0.291 1162 I C -0.039 176.296 176.117 0.363 0.000 1.010 1162 I CA -0.511 60.940 61.300 0.251 0.000 1.308 1162 I CB 0.482 38.542 38.000 0.100 0.000 1.400 1162 I HN 0.384 nan 8.210 nan 0.000 0.488 1163 K N 6.078 126.689 120.400 0.351 0.000 2.203 1163 K HA 0.481 4.791 4.320 -0.015 0.000 0.251 1163 K C -0.580 176.132 176.600 0.187 0.000 0.944 1163 K CA -0.998 55.465 56.287 0.293 0.000 0.829 1163 K CB 1.705 34.371 32.500 0.278 0.000 1.125 1163 K HN 0.399 nan 8.250 nan 0.000 0.430 1164 K N 1.559 121.897 120.400 -0.102 0.000 2.368 1164 K HA 0.027 4.338 4.320 -0.015 0.000 0.282 1164 K C 0.057 176.597 176.600 -0.100 0.000 1.035 1164 K CA 0.160 56.258 56.287 -0.315 0.000 0.973 1164 K CB 0.487 32.704 32.500 -0.472 0.000 0.957 1164 K HN 0.543 nan 8.250 nan 0.000 0.474 1165 Y N 2.568 122.687 120.300 -0.302 0.000 3.031 1165 Y HA 0.352 4.893 4.550 -0.015 0.000 0.193 1165 Y C 0.127 175.892 175.900 -0.226 0.000 0.940 1165 Y CA 0.151 58.023 58.100 -0.379 0.000 1.653 1165 Y CB -0.042 37.981 38.460 -0.728 0.000 1.333 1165 Y HN 0.577 nan 8.280 nan 0.000 0.451 1166 A N 0.608 123.378 122.820 -0.084 0.000 2.313 1166 A HA 0.674 4.985 4.320 -0.015 0.000 0.261 1166 A C 0.485 178.006 177.584 -0.104 0.000 1.090 1166 A CA 0.687 52.652 52.037 -0.120 0.000 0.807 1166 A CB -0.101 18.924 19.000 0.042 0.000 1.055 1166 A HN 0.962 nan 8.150 nan 0.000 0.492 1167 S N -0.971 114.669 115.700 -0.099 0.000 5.707 1167 S HA 0.601 5.062 4.470 -0.015 0.000 0.128 1167 S C 1.540 176.111 174.600 -0.048 0.000 1.212 1167 S CA 0.942 59.093 58.200 -0.082 0.000 1.212 1167 S CB -0.799 nan 63.200 nan 0.000 2.049 1167 S HN 2.643 nan 8.310 nan 0.000 0.680 1168 G N 0.572 109.340 108.800 -0.054 0.000 2.578 1168 G HA2 0.251 4.202 3.960 -0.015 0.000 0.284 1168 G HA3 0.251 4.202 3.960 -0.015 0.000 0.284 1168 G C 0.946 175.826 174.900 -0.032 0.000 1.283 1168 G CA 1.811 46.889 45.100 -0.037 0.000 0.944 1168 G HN 2.646 nan 8.290 nan 0.000 0.558 1169 N N -2.816 115.875 118.700 -0.014 0.000 2.438 1169 N HA 0.305 5.035 4.740 -0.015 0.000 0.295 1169 N C 1.826 177.330 175.510 -0.010 0.000 1.416 1169 N CA 1.926 54.974 53.050 -0.002 0.000 0.646 1169 N CB -1.882 nan 38.487 nan 0.000 0.955 1169 N HN 2.529 nan 8.380 nan 0.000 0.502 1170 K N 0.024 120.421 120.400 -0.004 0.000 2.304 1170 K HA -0.120 4.191 4.320 -0.015 0.000 0.204 1170 K C 0.961 177.567 176.600 0.011 0.000 1.044 1170 K CA 2.471 58.758 56.287 -0.000 0.000 0.932 1170 K CB -0.519 nan 32.500 nan 0.000 0.735 1170 K HN 1.449 nan 8.250 nan 0.000 0.468 1171 D N -2.632 117.782 120.400 0.024 0.000 2.564 1171 D HA 0.132 4.763 4.640 -0.015 0.000 0.273 1171 D C 0.249 176.604 176.300 0.092 0.000 1.192 1171 D CA -0.697 53.332 54.000 0.047 0.000 1.080 1171 D CB 0.460 41.284 40.800 0.040 0.000 1.160 1171 D HN 0.007 nan 8.370 nan 0.000 0.607 1172 N N -1.135 117.641 118.700 0.126 0.000 2.187 1172 N HA 0.180 4.910 4.740 -0.015 0.000 0.212 1172 N C -0.316 175.329 175.510 0.225 0.000 1.152 1172 N CA -0.230 52.956 53.050 0.228 0.000 0.872 1172 N CB 0.642 39.223 38.487 0.156 0.000 1.025 1172 N HN 0.378 nan 8.380 nan 0.000 0.514 1173 I N 1.669 122.303 120.570 0.106 0.000 2.441 1173 I HA 0.088 4.248 4.170 -0.015 0.000 0.287 1173 I C 0.156 176.205 176.117 -0.113 0.000 1.049 1173 I CA -0.407 60.865 61.300 -0.047 0.000 1.381 1173 I CB 1.686 39.593 38.000 -0.156 0.000 1.409 1173 I HN -0.293 nan 8.210 nan 0.000 0.523 1174 V N 7.879 127.602 119.914 -0.319 0.000 2.389 1174 V HA 0.259 4.370 4.120 -0.015 0.000 0.264 1174 V C 0.519 176.484 176.094 -0.215 0.000 1.049 1174 V CA -0.294 61.759 62.300 -0.411 0.000 0.932 1174 V CB 0.276 31.736 31.823 -0.605 0.000 1.011 1174 V HN 0.666 nan 8.190 nan 0.000 0.475 1175 R N 3.087 123.522 120.500 -0.109 0.000 2.596 1175 R HA 0.348 4.679 4.340 -0.015 0.000 0.267 1175 R C 0.135 176.398 176.300 -0.062 0.000 1.026 1175 R CA -0.961 55.082 56.100 -0.096 0.000 1.087 1175 R CB 0.774 31.032 30.300 -0.070 0.000 1.132 1175 R HN 0.659 nan 8.270 nan 0.000 0.531 1176 N N 1.637 120.302 118.700 -0.059 0.000 2.412 1176 N HA -0.093 4.638 4.740 -0.015 0.000 0.258 1176 N C -0.396 175.104 175.510 -0.015 0.000 1.236 1176 N CA 0.829 53.860 53.050 -0.032 0.000 0.882 1176 N CB 0.220 38.688 38.487 -0.031 0.000 1.066 1176 N HN 0.567 nan 8.380 nan 0.000 0.465 1177 N N 0.103 118.801 118.700 -0.002 0.000 2.948 1177 N HA -0.195 4.536 4.740 -0.015 0.000 0.239 1177 N C -1.301 174.213 175.510 0.007 0.000 0.954 1177 N CA 0.725 53.775 53.050 -0.000 0.000 0.941 1177 N CB -1.323 37.163 38.487 -0.003 0.000 1.101 1177 N HN 0.650 nan 8.380 nan 0.000 0.579 1178 D N 1.091 121.501 120.400 0.018 0.000 2.414 1178 D HA 0.112 4.743 4.640 -0.015 0.000 0.242 1178 D C 0.862 177.186 176.300 0.040 0.000 1.129 1178 D CA 0.463 54.494 54.000 0.052 0.000 0.885 1178 D CB 0.608 41.474 40.800 0.110 0.000 1.198 1178 D HN 0.077 nan 8.370 nan 0.000 0.437 1179 R N 1.123 121.651 120.500 0.046 0.000 2.294 1179 R HA 0.514 4.845 4.340 -0.015 0.000 0.319 1179 R C -0.223 176.079 176.300 0.002 0.000 0.984 1179 R CA -0.796 55.301 56.100 -0.005 0.000 0.861 1179 R CB 1.264 31.559 30.300 -0.007 0.000 1.104 1179 R HN 0.291 nan 8.270 nan 0.000 0.451 1180 V N -0.024 119.856 119.914 -0.056 0.000 3.167 1180 V HA 0.606 4.717 4.120 -0.015 0.000 0.310 1180 V C -1.147 174.889 176.094 -0.098 0.000 1.207 1180 V CA -1.100 61.199 62.300 -0.003 0.000 1.059 1180 V CB 1.817 33.746 31.823 0.176 0.000 1.079 1180 V HN 0.649 nan 8.190 nan 0.000 0.446 1181 Y N 0.338 120.701 120.300 0.105 0.000 2.446 1181 Y HA 0.712 5.253 4.550 -0.015 0.000 0.338 1181 Y C 0.033 175.979 175.900 0.076 0.000 1.055 1181 Y CA -1.228 56.906 58.100 0.057 0.000 1.101 1181 Y CB 2.235 40.733 38.460 0.063 0.000 1.221 1181 Y HN 0.433 nan 8.280 nan 0.000 0.460 1182 I N 3.440 124.141 120.570 0.217 0.000 2.359 1182 I HA 0.193 4.353 4.170 -0.015 0.000 0.284 1182 I C -0.690 175.433 176.117 0.009 0.000 1.018 1182 I CA -0.725 60.645 61.300 0.116 0.000 1.173 1182 I CB 0.537 38.578 38.000 0.068 0.000 1.326 1182 I HN 0.656 nan 8.210 nan 0.000 0.462 1183 N N 4.900 123.614 118.700 0.022 0.000 2.467 1183 N HA 0.460 5.191 4.740 -0.015 0.000 0.262 1183 N C -0.487 174.942 175.510 -0.135 0.000 1.234 1183 N CA -0.207 52.819 53.050 -0.040 0.000 0.952 1183 N CB 1.794 40.280 38.487 -0.001 0.000 1.158 1183 N HN 0.243 nan 8.380 nan 0.000 0.463 1184 V N 1.282 121.129 119.914 -0.112 0.000 2.532 1184 V HA 0.194 4.304 4.120 -0.015 0.000 0.294 1184 V C -0.413 175.707 176.094 0.043 0.000 1.036 1184 V CA -0.858 61.341 62.300 -0.168 0.000 0.876 1184 V CB 1.755 33.412 31.823 -0.277 0.000 1.012 1184 V HN 0.309 nan 8.190 nan 0.000 0.432 1185 V N 5.783 125.730 119.914 0.055 0.000 2.470 1185 V HA 0.302 4.413 4.120 -0.015 0.000 0.276 1185 V C 0.066 176.238 176.094 0.131 0.000 1.040 1185 V CA -0.083 62.275 62.300 0.097 0.000 1.008 1185 V CB 1.404 33.255 31.823 0.048 0.000 0.990 1185 V HN 0.603 nan 8.190 nan 0.000 0.477 1186 V N 6.462 126.504 119.914 0.213 0.000 2.409 1186 V HA 0.479 4.590 4.120 -0.015 0.000 0.290 1186 V C 0.211 176.408 176.094 0.172 0.000 1.017 1186 V CA -1.046 61.350 62.300 0.159 0.000 0.841 1186 V CB 1.372 33.224 31.823 0.049 0.000 1.003 1186 V HN 0.904 nan 8.190 nan 0.000 0.426 1187 K N 4.254 124.720 120.400 0.110 0.000 3.096 1187 K HA -0.210 4.101 4.320 -0.015 0.000 0.266 1187 K C 0.453 177.101 176.600 0.080 0.000 1.043 1187 K CA 0.780 57.121 56.287 0.089 0.000 0.758 1187 K CB -1.301 31.251 32.500 0.086 0.000 1.260 1187 K HN 0.985 nan 8.250 nan 0.000 0.481 1188 N N -1.282 117.460 118.700 0.069 0.000 2.776 1188 N HA -0.188 4.542 4.740 -0.015 0.000 0.250 1188 N C -0.113 175.409 175.510 0.020 0.000 1.112 1188 N CA 1.771 54.845 53.050 0.039 0.000 0.733 1188 N CB -0.663 37.841 38.487 0.029 0.000 1.097 1188 N HN 0.705 nan 8.380 nan 0.000 0.558 1189 K N 1.024 121.449 120.400 0.043 0.000 2.443 1189 K HA 0.308 4.619 4.320 -0.015 0.000 0.252 1189 K C -0.715 175.807 176.600 -0.130 0.000 0.933 1189 K CA -0.529 55.716 56.287 -0.071 0.000 0.792 1189 K CB 1.601 34.048 32.500 -0.088 0.000 1.185 1189 K HN 0.011 nan 8.250 nan 0.000 0.425 1190 E N 2.871 122.923 120.200 -0.248 0.000 2.301 1190 E HA 0.188 4.529 4.350 -0.015 0.000 0.275 1190 E C -1.030 175.287 176.600 -0.471 0.000 1.030 1190 E CA -0.427 55.857 56.400 -0.193 0.000 0.852 1190 E CB 0.865 30.494 29.700 -0.120 0.000 1.060 1190 E HN 0.367 nan 8.360 nan 0.000 0.401 1191 Y N 0.342 120.599 120.300 -0.071 0.000 2.602 1191 Y HA 0.409 4.950 4.550 -0.015 0.000 0.342 1191 Y C 0.059 175.895 175.900 -0.106 0.000 1.029 1191 Y CA -1.232 56.819 58.100 -0.081 0.000 1.080 1191 Y CB 1.368 39.784 38.460 -0.074 0.000 1.284 1191 Y HN 0.353 nan 8.280 nan 0.000 0.485 1192 R N 1.496 122.027 120.500 0.051 0.000 2.349 1192 R HA 0.517 4.848 4.340 -0.015 0.000 0.299 1192 R C -1.754 174.531 176.300 -0.026 0.000 1.027 1192 R CA -0.699 55.377 56.100 -0.040 0.000 0.958 1192 R CB 0.638 30.875 30.300 -0.104 0.000 1.047 1192 R HN 0.656 nan 8.270 nan 0.000 0.468 1193 L N 3.748 124.937 121.223 -0.056 0.000 2.265 1193 L HA 0.722 5.053 4.340 -0.015 0.000 0.288 1193 L C -0.948 175.914 176.870 -0.014 0.000 1.058 1193 L CA 0.453 55.257 54.840 -0.061 0.000 0.809 1193 L CB 0.869 42.851 42.059 -0.127 0.000 1.179 1193 L HN 0.868 nan 8.230 nan 0.000 0.429 1194 A N 3.130 125.952 122.820 0.002 0.000 2.529 1194 A HA 0.878 5.188 4.320 -0.015 0.000 0.296 1194 A C -0.726 176.876 177.584 0.029 0.000 1.205 1194 A CA -0.143 51.903 52.037 0.016 0.000 0.671 1194 A CB 1.671 20.674 19.000 0.004 0.000 1.301 1194 A HN 0.622 nan 8.150 nan 0.000 0.450 1195 T N -0.196 114.375 114.554 0.028 0.000 2.893 1195 T HA 0.333 4.674 4.350 -0.015 0.000 0.337 1195 T C -1.693 173.022 174.700 0.025 0.000 1.587 1195 T CA -0.555 61.565 62.100 0.034 0.000 1.066 1195 T CB 1.054 69.948 68.868 0.044 0.000 1.414 1195 T HN 0.873 nan 8.240 nan 0.000 0.488 1196 N N 2.388 121.102 118.700 0.024 0.000 2.411 1196 N HA 0.423 5.153 4.740 -0.015 0.000 0.259 1196 N C 1.074 176.593 175.510 0.014 0.000 1.103 1196 N CA 0.129 53.189 53.050 0.017 0.000 0.954 1196 N CB 1.126 39.622 38.487 0.015 0.000 1.085 1196 N HN 0.655 nan 8.380 nan 0.000 0.485 1197 A N 2.584 125.410 122.820 0.011 0.000 2.072 1197 A HA -0.056 4.255 4.320 -0.015 0.000 0.216 1197 A C 1.836 179.422 177.584 0.004 0.000 1.156 1197 A CA 0.858 52.900 52.037 0.009 0.000 0.701 1197 A CB -0.180 18.824 19.000 0.007 0.000 0.816 1197 A HN 0.751 nan 8.150 nan 0.000 0.458 1198 S N -0.442 115.260 115.700 0.003 0.000 2.603 1198 S HA 0.026 4.486 4.470 -0.015 0.000 0.220 1198 S C 0.887 175.485 174.600 -0.002 0.000 0.967 1198 S CA 0.049 58.250 58.200 0.001 0.000 0.920 1198 S CB -0.536 62.664 63.200 0.001 0.000 0.773 1198 S HN 0.657 nan 8.310 nan 0.000 0.529 1199 Q N 1.972 121.771 119.800 -0.001 0.000 2.436 1199 Q HA 0.166 4.497 4.340 -0.015 0.000 0.326 1199 Q C 0.145 176.136 176.000 -0.014 0.000 1.079 1199 Q CA -0.061 55.739 55.803 -0.006 0.000 1.049 1199 Q CB 0.119 28.855 28.738 -0.003 0.000 1.047 1199 Q HN 0.554 nan 8.270 nan 0.000 0.386 1200 A N 4.082 126.892 122.820 -0.017 0.000 2.498 1200 A HA 0.495 4.806 4.320 -0.015 0.000 0.239 1200 A C 0.735 178.298 177.584 -0.035 0.000 1.068 1200 A CA 0.616 52.639 52.037 -0.022 0.000 0.766 1200 A CB -0.262 18.726 19.000 -0.021 0.000 1.003 1200 A HN 1.377 nan 8.150 nan 0.000 0.497 1201 G N 0.075 108.855 108.800 -0.034 0.000 2.756 1201 G HA2 0.041 3.992 3.960 -0.015 0.000 0.678 1201 G HA3 0.041 3.992 3.960 -0.015 0.000 0.678 1201 G C 0.441 175.312 174.900 -0.047 0.000 1.349 1201 G CA -0.282 44.790 45.100 -0.047 0.000 0.847 1201 G HN 1.491 nan 8.290 nan 0.000 0.548 1202 V N 0.125 120.005 119.914 -0.056 0.000 2.427 1202 V HA 0.012 4.123 4.120 -0.015 0.000 0.248 1202 V C 1.465 177.528 176.094 -0.052 0.000 1.051 1202 V CA 2.602 64.877 62.300 -0.042 0.000 1.048 1202 V CB -0.572 31.227 31.823 -0.040 0.000 0.666 1202 V HN 0.625 nan 8.190 nan 0.000 0.456 1203 E N 1.317 121.458 120.200 -0.098 0.000 2.200 1203 E HA 0.275 4.616 4.350 -0.015 0.000 0.283 1203 E C -0.520 176.049 176.600 -0.053 0.000 1.015 1203 E CA -0.452 55.892 56.400 -0.093 0.000 0.819 1203 E CB 0.729 30.314 29.700 -0.192 0.000 1.081 1203 E HN 0.210 nan 8.360 nan 0.000 0.397 1204 K N 3.761 124.160 120.400 -0.001 0.000 2.389 1204 K HA 0.360 4.671 4.320 -0.015 0.000 0.261 1204 K C -0.135 176.493 176.600 0.047 0.000 1.014 1204 K CA -0.513 55.785 56.287 0.018 0.000 0.920 1204 K CB 0.943 33.461 32.500 0.030 0.000 1.149 1204 K HN 0.462 nan 8.250 nan 0.000 0.444 1205 I N 3.735 124.328 120.570 0.039 0.000 2.618 1205 I HA -0.011 4.150 4.170 -0.015 0.000 0.284 1205 I C 0.588 176.763 176.117 0.097 0.000 1.146 1205 I CA -0.039 61.304 61.300 0.072 0.000 1.425 1205 I CB 0.212 38.241 38.000 0.048 0.000 1.383 1205 I HN 0.256 nan 8.210 nan 0.000 0.562 1206 L N 5.670 126.972 121.223 0.132 0.000 2.379 1206 L HA 0.483 4.814 4.340 -0.015 0.000 0.269 1206 L C 0.266 177.209 176.870 0.123 0.000 1.084 1206 L CA -0.087 54.824 54.840 0.118 0.000 0.802 1206 L CB 1.306 43.444 42.059 0.132 0.000 1.175 1206 L HN 0.595 nan 8.230 nan 0.000 0.448 1207 S N -0.076 115.668 115.700 0.073 0.000 2.661 1207 S HA 0.742 5.203 4.470 -0.015 0.000 0.285 1207 S C -0.945 173.652 174.600 -0.004 0.000 1.138 1207 S CA -0.604 57.624 58.200 0.047 0.000 0.855 1207 S CB 2.042 65.266 63.200 0.039 0.000 1.136 1207 S HN 0.643 nan 8.310 nan 0.000 0.484 1208 A N 1.846 124.636 122.820 -0.051 0.000 2.273 1208 A HA 0.696 5.007 4.320 -0.015 0.000 0.320 1208 A C -1.180 176.377 177.584 -0.045 0.000 1.358 1208 A CA -0.269 51.720 52.037 -0.080 0.000 0.910 1208 A CB -0.423 18.452 19.000 -0.207 0.000 1.159 1208 A HN 0.499 nan 8.150 nan 0.000 0.526 1209 L N 1.902 123.157 121.223 0.053 0.000 2.322 1209 L HA 0.350 4.681 4.340 -0.015 0.000 0.279 1209 L C 0.484 177.470 176.870 0.193 0.000 1.036 1209 L CA -0.273 54.620 54.840 0.088 0.000 0.807 1209 L CB 1.156 43.236 42.059 0.034 0.000 1.226 1209 L HN 0.568 nan 8.230 nan 0.000 0.433 1210 E N 2.834 123.159 120.200 0.208 0.000 2.558 1210 E HA -0.074 4.267 4.350 -0.015 0.000 0.255 1210 E C 1.271 177.874 176.600 0.004 0.000 0.968 1210 E CA 0.239 56.717 56.400 0.129 0.000 0.939 1210 E CB 0.543 30.293 29.700 0.082 0.000 0.921 1210 E HN 0.528 nan 8.360 nan 0.000 0.477 1211 I N 3.450 123.972 120.570 -0.079 0.000 2.113 1211 I HA -0.263 3.897 4.170 -0.015 0.000 0.242 1211 I C -0.539 175.524 176.117 -0.091 0.000 1.057 1211 I CA 1.372 62.606 61.300 -0.110 0.000 1.314 1211 I CB -1.864 36.048 38.000 -0.147 0.000 1.022 1211 I HN 0.398 nan 8.210 nan 0.000 0.408 1212 P HA 0.038 nan 4.420 nan 0.000 0.253 1212 P C -0.222 177.059 177.300 -0.032 0.000 1.281 1212 P CA 0.972 64.042 63.100 -0.051 0.000 0.792 1212 P CB -0.065 31.609 31.700 -0.043 0.000 1.193 1213 D N -1.472 118.913 120.400 -0.026 0.000 2.513 1213 D HA 0.032 4.663 4.640 -0.015 0.000 0.222 1213 D C 1.500 177.795 176.300 -0.008 0.000 1.210 1213 D CA 0.045 54.040 54.000 -0.009 0.000 0.825 1213 D CB 0.297 41.102 40.800 0.008 0.000 1.037 1213 D HN -0.185 nan 8.370 nan 0.000 0.506 1214 V N -0.136 119.763 119.914 -0.025 0.000 2.913 1214 V HA 0.092 4.203 4.120 -0.015 0.000 0.260 1214 V C 1.813 177.901 176.094 -0.009 0.000 1.098 1214 V CA 0.917 63.202 62.300 -0.024 0.000 1.121 1214 V CB -1.394 30.395 31.823 -0.056 0.000 0.714 1214 V HN 0.395 nan 8.190 nan 0.000 0.487 1215 G N 2.033 110.830 108.800 -0.006 0.000 2.581 1215 G HA2 -0.384 3.567 3.960 -0.015 0.000 0.291 1215 G HA3 -0.384 3.567 3.960 -0.015 0.000 0.291 1215 G C 0.204 175.109 174.900 0.008 0.000 1.277 1215 G CA 0.483 45.584 45.100 0.003 0.000 0.959 1215 G HN 0.821 nan 8.290 nan 0.000 0.554 1216 N N 0.388 119.095 118.700 0.012 0.000 2.389 1216 N HA 0.339 5.070 4.740 -0.015 0.000 0.237 1216 N C 0.525 176.044 175.510 0.015 0.000 1.148 1216 N CA -0.036 53.025 53.050 0.017 0.000 0.854 1216 N CB -0.084 38.413 38.487 0.017 0.000 1.115 1216 N HN 0.632 nan 8.380 nan 0.000 0.492 1217 L N -0.133 121.097 121.223 0.012 0.000 2.439 1217 L HA 0.253 4.584 4.340 -0.015 0.000 0.261 1217 L C 0.388 177.267 176.870 0.015 0.000 1.153 1217 L CA -0.675 54.172 54.840 0.012 0.000 0.808 1217 L CB 0.735 42.800 42.059 0.010 0.000 1.126 1217 L HN 0.087 nan 8.230 nan 0.000 0.460 1218 S N 0.833 116.541 115.700 0.014 0.000 2.481 1218 S HA 0.150 4.610 4.470 -0.015 0.000 0.276 1218 S C 0.450 175.063 174.600 0.021 0.000 1.247 1218 S CA -0.506 57.702 58.200 0.013 0.000 1.053 1218 S CB 0.798 64.004 63.200 0.009 0.000 0.925 1218 S HN 0.712 nan 8.310 nan 0.000 0.491 1219 Q N 1.309 121.129 119.800 0.032 0.000 2.104 1219 Q HA 0.245 4.576 4.340 -0.015 0.000 0.240 1219 Q C -0.339 175.723 176.000 0.103 0.000 0.743 1219 Q CA -0.159 55.686 55.803 0.070 0.000 0.920 1219 Q CB 0.015 28.795 28.738 0.070 0.000 1.198 1219 Q HN 0.426 nan 8.270 nan 0.000 0.465 1220 V N 2.522 122.435 119.914 -0.002 0.000 2.572 1220 V HA 0.208 4.319 4.120 -0.015 0.000 0.291 1220 V C -0.154 175.873 176.094 -0.113 0.000 1.039 1220 V CA -0.112 62.083 62.300 -0.174 0.000 1.055 1220 V CB 1.386 32.963 31.823 -0.411 0.000 0.969 1220 V HN 0.146 nan 8.190 nan 0.000 0.482 1221 V N 5.782 125.639 119.914 -0.096 0.000 2.540 1221 V HA 0.378 4.489 4.120 -0.015 0.000 0.302 1221 V C -0.184 175.875 176.094 -0.059 0.000 1.035 1221 V CA -0.727 61.544 62.300 -0.048 0.000 0.873 1221 V CB 2.082 33.920 31.823 0.025 0.000 0.992 1221 V HN 0.556 nan 8.190 nan 0.000 0.428 1222 V N 5.874 125.745 119.914 -0.072 0.000 2.385 1222 V HA 0.303 4.414 4.120 -0.015 0.000 0.269 1222 V C 0.378 176.463 176.094 -0.014 0.000 1.043 1222 V CA -0.419 61.849 62.300 -0.054 0.000 0.906 1222 V CB 1.144 32.918 31.823 -0.081 0.000 0.995 1222 V HN 0.722 nan 8.190 nan 0.000 0.467 1223 M N 5.925 125.531 119.600 0.011 0.000 2.219 1223 M HA 0.376 4.847 4.480 -0.015 0.000 0.353 1223 M C -0.043 176.285 176.300 0.047 0.000 1.304 1223 M CA 0.137 55.456 55.300 0.032 0.000 1.115 1223 M CB 0.394 32.980 32.600 -0.025 0.000 1.664 1223 M HN 0.440 nan 8.290 nan 0.000 0.459 1224 K N 1.323 121.792 120.400 0.115 0.000 2.328 1224 K HA 0.517 4.828 4.320 -0.015 0.000 0.246 1224 K C 0.515 177.167 176.600 0.086 0.000 0.955 1224 K CA -0.273 56.087 56.287 0.123 0.000 0.817 1224 K CB 2.031 34.681 32.500 0.249 0.000 1.208 1224 K HN 0.739 nan 8.250 nan 0.000 0.432 1225 S N 0.166 115.891 115.700 0.041 0.000 2.727 1225 S HA 0.193 4.654 4.470 -0.015 0.000 0.249 1225 S C 0.074 174.672 174.600 -0.003 0.000 1.079 1225 S CA -0.179 58.026 58.200 0.008 0.000 0.912 1225 S CB 0.373 63.559 63.200 -0.023 0.000 0.861 1225 S HN 0.469 nan 8.310 nan 0.000 0.484 1226 K N 2.143 122.544 120.400 0.002 0.000 2.238 1226 K HA 0.464 4.775 4.320 -0.015 0.000 0.239 1226 K C -0.969 175.644 176.600 0.021 0.000 0.987 1226 K CA -0.741 55.543 56.287 -0.006 0.000 0.857 1226 K CB 1.017 33.507 32.500 -0.017 0.000 1.154 1226 K HN 0.517 nan 8.250 nan 0.000 0.439 1227 N N 0.718 119.421 118.700 0.006 0.000 2.422 1227 N HA 0.178 4.909 4.740 -0.015 0.000 0.266 1227 N C -0.836 174.680 175.510 0.009 0.000 1.007 1227 N CA -0.411 52.653 53.050 0.024 0.000 0.941 1227 N CB 0.956 39.446 38.487 0.006 0.000 1.115 1227 N HN 0.631 nan 8.380 nan 0.000 0.492 1228 D N 0.912 121.323 120.400 0.018 0.000 3.301 1228 D HA -0.411 4.220 4.640 -0.015 0.000 0.217 1228 D C 0.560 176.857 176.300 -0.006 0.000 1.548 1228 D CA 2.101 56.105 54.000 0.006 0.000 1.118 1228 D CB -0.448 40.354 40.800 0.004 0.000 0.684 1228 D HN 0.971 nan 8.370 nan 0.000 0.821 1229 Q N -1.009 118.785 119.800 -0.010 0.000 1.955 1229 Q HA -0.415 3.916 4.340 -0.015 0.000 0.150 1229 Q C 1.353 177.341 176.000 -0.020 0.000 0.972 1229 Q CA 3.432 59.226 55.803 -0.015 0.000 1.502 1229 Q CB -1.390 27.341 28.738 -0.012 0.000 1.628 1229 Q HN 1.469 nan 8.270 nan 0.000 0.813 1230 G N -0.936 107.852 108.800 -0.020 0.000 2.258 1230 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.233 1230 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.233 1230 G C 0.171 175.050 174.900 -0.035 0.000 1.006 1230 G CA 0.105 45.189 45.100 -0.028 0.000 0.620 1230 G HN 0.472 nan 8.290 nan 0.000 0.511 1231 I N 3.647 124.197 120.570 -0.034 0.000 2.752 1231 I HA 0.209 4.370 4.170 -0.015 0.000 0.286 1231 I C 1.725 177.816 176.117 -0.043 0.000 1.180 1231 I CA 0.647 61.923 61.300 -0.040 0.000 1.404 1231 I CB 0.163 38.140 38.000 -0.039 0.000 1.389 1231 I HN 0.418 nan 8.210 nan 0.000 0.549 1232 T N 2.882 117.405 114.554 -0.051 0.000 2.698 1232 T HA 0.306 4.647 4.350 -0.015 0.000 0.295 1232 T C -0.044 174.624 174.700 -0.054 0.000 1.007 1232 T CA -0.493 61.576 62.100 -0.052 0.000 0.980 1232 T CB 1.491 70.321 68.868 -0.064 0.000 1.036 1232 T HN 0.663 nan 8.240 nan 0.000 0.526 1233 N N -1.642 117.027 118.700 -0.052 0.000 3.265 1233 N HA 0.286 5.017 4.740 -0.015 0.000 0.235 1233 N C -0.779 174.699 175.510 -0.053 0.000 1.343 1233 N CA -0.726 52.283 53.050 -0.067 0.000 0.904 1233 N CB 1.481 39.923 38.487 -0.075 0.000 1.492 1233 N HN 0.472 nan 8.380 nan 0.000 0.504 1234 K N 0.252 120.609 120.400 -0.073 0.000 2.402 1234 K HA 0.340 4.651 4.320 -0.015 0.000 0.204 1234 K C -0.596 175.981 176.600 -0.039 0.000 1.056 1234 K CA 0.054 56.320 56.287 -0.035 0.000 1.069 1234 K CB -0.080 32.400 32.500 -0.033 0.000 0.888 1234 K HN 0.541 nan 8.250 nan 0.000 0.546 1235 C N 2.894 122.104 119.300 -0.150 0.000 2.289 1235 C HA 0.319 4.770 4.460 -0.015 0.000 0.340 1235 C C 1.548 176.565 174.990 0.046 0.000 1.152 1235 C CA -0.768 58.111 59.018 -0.231 0.000 1.650 1235 C CB -0.301 26.944 27.740 -0.824 0.000 2.203 1235 C HN 0.213 nan 8.230 nan 0.000 0.511 1236 K N 2.011 122.576 120.400 0.274 0.000 2.314 1236 K HA 0.174 4.485 4.320 -0.015 0.000 0.198 1236 K C 0.223 177.051 176.600 0.379 0.000 1.045 1236 K CA 0.869 57.347 56.287 0.318 0.000 0.988 1236 K CB 0.238 32.968 32.500 0.382 0.000 0.783 1236 K HN 0.665 nan 8.250 nan 0.000 0.484 1237 M N 1.796 121.694 119.600 0.496 0.000 1.980 1237 M HA 0.169 4.640 4.480 -0.015 0.000 0.282 1237 M C -0.840 175.571 176.300 0.186 0.000 0.878 1237 M CA -0.556 54.930 55.300 0.310 0.000 0.900 1237 M CB 1.378 34.132 32.600 0.258 0.000 1.577 1237 M HN -0.195 nan 8.290 nan 0.000 0.396 1238 N N 3.391 121.989 118.700 -0.170 0.000 2.437 1238 N HA 0.342 5.073 4.740 -0.015 0.000 0.243 1238 N C -1.399 173.978 175.510 -0.222 0.000 1.041 1238 N CA -0.380 52.337 53.050 -0.555 0.000 0.940 1238 N CB 0.713 38.660 38.487 -0.901 0.000 1.133 1238 N HN 0.564 nan 8.380 nan 0.000 0.506 1239 L N 2.673 123.828 121.223 -0.112 0.000 2.397 1239 L HA 0.337 4.667 4.340 -0.015 0.000 0.271 1239 L C -0.207 176.619 176.870 -0.074 0.000 1.148 1239 L CA 0.455 55.266 54.840 -0.049 0.000 0.825 1239 L CB 0.578 42.648 42.059 0.017 0.000 1.117 1239 L HN 0.543 nan 8.230 nan 0.000 0.456 1240 Q N 2.590 122.350 119.800 -0.067 0.000 2.397 1240 Q HA 0.324 4.654 4.340 -0.015 0.000 0.275 1240 Q C -1.261 174.710 176.000 -0.048 0.000 1.090 1240 Q CA -0.965 54.798 55.803 -0.067 0.000 0.809 1240 Q CB 2.256 30.941 28.738 -0.089 0.000 1.362 1240 Q HN 0.773 nan 8.270 nan 0.000 0.431 1241 D N 0.564 120.943 120.400 -0.035 0.000 2.398 1241 D HA 0.005 4.636 4.640 -0.015 0.000 0.247 1241 D C 0.230 176.514 176.300 -0.026 0.000 1.227 1241 D CA -0.249 53.738 54.000 -0.022 0.000 0.980 1241 D CB 0.638 41.431 40.800 -0.011 0.000 1.106 1241 D HN 0.320 nan 8.370 nan 0.000 0.493 1242 N N -0.397 118.296 118.700 -0.012 0.000 2.515 1242 N HA -0.085 4.646 4.740 -0.015 0.000 0.191 1242 N C 0.467 175.979 175.510 0.003 0.000 1.182 1242 N CA 0.117 53.165 53.050 -0.004 0.000 0.879 1242 N CB -0.321 38.174 38.487 0.014 0.000 0.984 1242 N HN 0.388 nan 8.380 nan 0.000 0.453 1243 N N -0.152 118.546 118.700 -0.003 0.000 2.254 1243 N HA 0.061 4.792 4.740 -0.015 0.000 0.190 1243 N C 1.006 176.513 175.510 -0.005 0.000 1.107 1243 N CA 0.579 53.630 53.050 -0.000 0.000 0.869 1243 N CB 0.463 38.950 38.487 -0.000 0.000 0.983 1243 N HN 0.275 nan 8.380 nan 0.000 0.487 1244 G N -0.360 108.431 108.800 -0.015 0.000 2.201 1244 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.212 1244 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.212 1244 G C -0.204 174.679 174.900 -0.028 0.000 0.994 1244 G CA -0.390 44.697 45.100 -0.021 0.000 0.644 1244 G HN 0.308 nan 8.290 nan 0.000 0.508 1245 N N 1.602 120.287 118.700 -0.025 0.000 2.530 1245 N HA 0.350 5.081 4.740 -0.015 0.000 0.277 1245 N C -0.667 174.820 175.510 -0.039 0.000 1.168 1245 N CA -0.307 52.727 53.050 -0.027 0.000 0.979 1245 N CB 0.668 39.145 38.487 -0.017 0.000 1.141 1245 N HN 0.116 nan 8.380 nan 0.000 0.459 1246 D N 1.311 121.684 120.400 -0.044 0.000 2.450 1246 D HA 0.060 4.690 4.640 -0.015 0.000 0.247 1246 D C 1.313 177.591 176.300 -0.036 0.000 1.162 1246 D CA 0.142 54.107 54.000 -0.059 0.000 0.879 1246 D CB 0.980 41.744 40.800 -0.060 0.000 1.163 1246 D HN 0.404 nan 8.370 nan 0.000 0.472 1247 I N 1.054 121.602 120.570 -0.036 0.000 2.490 1247 I HA 0.180 4.341 4.170 -0.015 0.000 0.234 1247 I C 1.418 177.542 176.117 0.011 0.000 1.066 1247 I CA 0.611 61.907 61.300 -0.007 0.000 1.405 1247 I CB 0.018 38.021 38.000 0.004 0.000 1.191 1247 I HN 0.453 nan 8.210 nan 0.000 0.433 1248 G N -0.915 107.894 108.800 0.014 0.000 2.523 1248 G HA2 0.399 4.350 3.960 -0.015 0.000 0.291 1248 G HA3 0.399 4.350 3.960 -0.015 0.000 0.291 1248 G C -1.487 173.470 174.900 0.095 0.000 1.450 1248 G CA -0.729 44.424 45.100 0.087 0.000 0.790 1248 G HN -0.090 nan 8.290 nan 0.000 0.496 1249 F N -0.017 120.075 119.950 0.237 0.000 2.450 1249 F HA 0.440 4.958 4.527 -0.015 0.000 0.339 1249 F C 1.302 177.287 175.800 0.308 0.000 1.146 1249 F CA 0.068 58.207 58.000 0.232 0.000 1.267 1249 F CB 0.888 39.995 39.000 0.179 0.000 1.178 1249 F HN 0.095 nan 8.300 nan 0.000 0.585 1250 I N 2.237 123.095 120.570 0.480 0.000 2.371 1250 I HA 0.364 4.525 4.170 -0.015 0.000 0.290 1250 I C 0.604 177.031 176.117 0.518 0.000 1.028 1250 I CA 0.328 61.895 61.300 0.445 0.000 1.345 1250 I CB 0.350 38.557 38.000 0.344 0.000 1.407 1250 I HN 0.736 nan 8.210 nan 0.000 0.501 1251 G N 6.116 115.223 108.800 0.512 0.000 3.100 1251 G HA2 0.609 4.560 3.960 -0.015 0.000 0.174 1251 G HA3 0.609 4.560 3.960 -0.015 0.000 0.174 1251 G C -1.389 173.831 174.900 0.533 0.000 1.136 1251 G CA -0.348 44.971 45.100 0.364 0.000 0.881 1251 G HN 0.493 nan 8.290 nan 0.000 0.616 1252 F N -0.598 119.510 119.950 0.264 0.000 2.591 1252 F HA 0.765 5.283 4.527 -0.015 0.000 0.309 1252 F C -1.029 174.826 175.800 0.092 0.000 1.098 1252 F CA -1.380 56.724 58.000 0.174 0.000 0.937 1252 F CB 1.453 40.508 39.000 0.093 0.000 1.250 1252 F HN 0.648 nan 8.300 nan 0.000 0.447 1253 H N 3.061 122.158 119.070 0.044 0.000 2.646 1253 H HA 0.648 5.195 4.556 -0.015 0.000 0.325 1253 H C -0.914 174.378 175.328 -0.061 0.000 1.075 1253 H CA 0.269 56.214 56.048 -0.173 0.000 1.421 1253 H CB 0.946 30.634 29.762 -0.125 0.000 1.461 1253 H HN 0.878 nan 8.280 nan 0.000 0.525 1254 Q N 3.779 123.137 119.800 -0.736 0.000 2.702 1254 Q HA 0.282 4.613 4.340 -0.015 0.000 0.289 1254 Q C -1.952 173.247 176.000 -1.335 0.000 0.923 1254 Q CA -0.773 54.410 55.803 -1.034 0.000 0.787 1254 Q CB 1.371 29.910 28.738 -0.332 0.000 1.476 1254 Q HN 0.651 nan 8.270 nan 0.000 0.402 1255 F N 0.993 120.812 119.950 -0.219 0.000 3.020 1255 F HA 0.448 4.965 4.527 -0.015 0.000 0.389 1255 F C -0.216 175.536 175.800 -0.080 0.000 1.265 1255 F CA -0.488 57.450 58.000 -0.103 0.000 1.195 1255 F CB -0.291 38.688 39.000 -0.035 0.000 2.250 1255 F HN 0.582 nan 8.300 nan 0.000 0.627 1256 N N 0.569 119.291 118.700 0.036 0.000 2.066 1256 N HA 0.022 4.752 4.740 -0.015 0.000 0.232 1256 N C 0.703 176.220 175.510 0.012 0.000 1.316 1256 N CA 0.648 53.719 53.050 0.036 0.000 0.847 1256 N CB 0.835 39.337 38.487 0.025 0.000 1.165 1256 N HN 0.483 nan 8.380 nan 0.000 0.471 1257 N N -0.263 118.427 118.700 -0.017 0.000 2.545 1257 N HA -0.043 4.688 4.740 -0.015 0.000 0.332 1257 N C -1.389 174.093 175.510 -0.046 0.000 1.143 1257 N CA -0.020 53.010 53.050 -0.033 0.000 2.385 1257 N CB 1.240 39.703 38.487 -0.040 0.000 1.578 1257 N HN -0.131 nan 8.380 nan 0.000 1.548 1258 I N 1.252 121.771 120.570 -0.086 0.000 2.686 1258 I HA 0.376 4.537 4.170 -0.015 0.000 0.280 1258 I C -0.629 175.447 176.117 -0.068 0.000 1.322 1258 I CA -0.284 60.969 61.300 -0.077 0.000 1.107 1258 I CB 1.389 39.309 38.000 -0.132 0.000 1.366 1258 I HN 0.677 nan 8.210 nan 0.000 0.443 1259 A N 6.923 129.759 122.820 0.028 0.000 2.916 1259 A HA 0.194 4.505 4.320 -0.015 0.000 0.254 1259 A C 0.812 178.488 177.584 0.154 0.000 1.544 1259 A CA -0.211 51.858 52.037 0.052 0.000 1.224 1259 A CB -0.522 18.442 19.000 -0.060 0.000 1.012 1259 A HN 0.589 nan 8.150 nan 0.000 0.636 1260 K N 0.110 120.577 120.400 0.113 0.000 2.494 1260 K HA 0.138 4.449 4.320 -0.015 0.000 0.273 1260 K C -0.295 176.470 176.600 0.275 0.000 0.970 1260 K CA 0.210 56.588 56.287 0.151 0.000 0.963 1260 K CB 0.464 32.947 32.500 -0.028 0.000 0.913 1260 K HN 0.445 nan 8.250 nan 0.000 0.502 1261 L N 3.084 124.489 121.223 0.305 0.000 2.319 1261 L HA 0.199 4.530 4.340 -0.015 0.000 0.280 1261 L C 0.234 177.267 176.870 0.273 0.000 1.099 1261 L CA -0.508 54.538 54.840 0.344 0.000 0.828 1261 L CB 0.564 42.824 42.059 0.334 0.000 1.150 1261 L HN 0.430 nan 8.230 nan 0.000 0.442 1262 V N 0.629 120.718 119.914 0.292 0.000 3.074 1262 V HA 0.932 5.043 4.120 -0.015 0.000 0.314 1262 V C -0.300 175.947 176.094 0.255 0.000 1.117 1262 V CA -0.834 61.593 62.300 0.212 0.000 1.014 1262 V CB 1.905 33.812 31.823 0.141 0.000 1.057 1262 V HN 0.775 nan 8.190 nan 0.000 0.438 1263 A N 1.590 124.524 122.820 0.189 0.000 2.288 1263 A HA 0.854 5.164 4.320 -0.015 0.000 0.320 1263 A C -0.129 177.554 177.584 0.165 0.000 1.217 1263 A CA -0.288 51.878 52.037 0.216 0.000 0.840 1263 A CB 1.206 20.294 19.000 0.147 0.000 1.179 1263 A HN 1.417 nan 8.150 nan 0.000 0.504 1264 S N 1.211 117.047 115.700 0.226 0.000 2.557 1264 S HA 0.286 4.747 4.470 -0.015 0.000 0.291 1264 S C 0.647 175.340 174.600 0.154 0.000 1.116 1264 S CA -0.704 57.543 58.200 0.078 0.000 0.992 1264 S CB 1.046 64.136 63.200 -0.183 0.000 1.028 1264 S HN 0.795 nan 8.310 nan 0.000 0.484 1265 N N 2.544 121.309 118.700 0.108 0.000 2.459 1265 N HA -0.076 4.655 4.740 -0.015 0.000 0.181 1265 N C 1.347 176.935 175.510 0.131 0.000 1.046 1265 N CA 0.476 53.598 53.050 0.120 0.000 0.904 1265 N CB -0.067 38.460 38.487 0.066 0.000 0.964 1265 N HN 0.846 nan 8.380 nan 0.000 0.444 1266 W N 1.363 122.599 121.300 -0.107 0.000 2.318 1266 W HA -0.254 4.397 4.660 -0.015 0.000 0.313 1266 W C 1.445 177.928 176.519 -0.060 0.000 1.221 1266 W CA 1.602 58.860 57.345 -0.146 0.000 1.266 1266 W CB -0.730 28.551 29.460 -0.298 0.000 1.150 1266 W HN 0.110 nan 8.180 nan 0.000 0.496 1267 Y N 0.542 120.966 120.300 0.208 0.000 2.193 1267 Y HA -0.350 4.191 4.550 -0.015 0.000 0.285 1267 Y C 2.241 178.123 175.900 -0.029 0.000 1.166 1267 Y CA 1.510 59.626 58.100 0.026 0.000 1.181 1267 Y CB -0.928 37.660 38.460 0.214 0.000 0.976 1267 Y HN -0.002 nan 8.280 nan 0.000 0.520 1268 N N -0.422 118.454 118.700 0.293 0.000 2.244 1268 N HA -0.103 4.628 4.740 -0.015 0.000 0.183 1268 N C 1.537 177.068 175.510 0.035 0.000 1.016 1268 N CA 0.822 54.033 53.050 0.269 0.000 0.866 1268 N CB -0.115 38.499 38.487 0.212 0.000 0.980 1268 N HN 0.168 nan 8.380 nan 0.000 0.430 1269 R N 0.191 120.629 120.500 -0.103 0.000 2.240 1269 R HA 0.137 4.468 4.340 -0.015 0.000 0.203 1269 R C 1.286 177.416 176.300 -0.283 0.000 1.011 1269 R CA 0.534 56.527 56.100 -0.180 0.000 1.007 1269 R CB 0.030 30.203 30.300 -0.211 0.000 0.911 1269 R HN 0.379 nan 8.270 nan 0.000 0.468 1270 Q N 0.441 119.987 119.800 -0.422 0.000 2.123 1270 Q HA 0.100 4.431 4.340 -0.015 0.000 0.196 1270 Q C 2.274 178.136 176.000 -0.229 0.000 0.958 1270 Q CA 0.795 56.345 55.803 -0.422 0.000 0.841 1270 Q CB -0.136 28.204 28.738 -0.664 0.000 0.915 1270 Q HN 0.287 nan 8.270 nan 0.000 0.455 1271 I N 1.454 121.914 120.570 -0.184 0.000 2.335 1271 I HA -0.237 3.924 4.170 -0.015 0.000 0.251 1271 I C 1.919 177.981 176.117 -0.091 0.000 1.129 1271 I CA 1.048 62.262 61.300 -0.144 0.000 1.402 1271 I CB -0.090 37.811 38.000 -0.167 0.000 1.069 1271 I HN 0.115 nan 8.210 nan 0.000 0.424 1272 E N 0.770 120.926 120.200 -0.073 0.000 2.285 1272 E HA -0.147 4.194 4.350 -0.015 0.000 0.194 1272 E C 1.962 178.527 176.600 -0.058 0.000 0.997 1272 E CA 0.682 57.051 56.400 -0.050 0.000 0.845 1272 E CB -0.054 29.625 29.700 -0.034 0.000 0.782 1272 E HN 0.618 nan 8.360 nan 0.000 0.491 1273 R N -0.464 119.988 120.500 -0.080 0.000 2.397 1273 R HA 0.235 4.566 4.340 -0.015 0.000 0.241 1273 R C 0.410 176.673 176.300 -0.062 0.000 0.914 1273 R CA 0.036 56.095 56.100 -0.068 0.000 1.071 1273 R CB 0.717 30.971 30.300 -0.077 0.000 1.116 1273 R HN -0.082 nan 8.270 nan 0.000 0.524 1274 S N -1.071 114.587 115.700 -0.070 0.000 2.565 1274 S HA 0.160 4.620 4.470 -0.015 0.000 0.274 1274 S C -0.832 173.731 174.600 -0.061 0.000 1.144 1274 S CA -0.584 57.584 58.200 -0.055 0.000 0.849 1274 S CB 1.786 64.960 63.200 -0.045 0.000 1.103 1274 S HN 0.067 nan 8.310 nan 0.000 0.455 1275 S N 1.472 117.145 115.700 -0.045 0.000 2.568 1275 S HA 0.291 4.752 4.470 -0.015 0.000 0.232 1275 S C 0.716 175.294 174.600 -0.037 0.000 0.975 1275 S CA -0.304 57.867 58.200 -0.049 0.000 0.949 1275 S CB -0.285 62.892 63.200 -0.039 0.000 0.829 1275 S HN 0.634 nan 8.310 nan 0.000 0.479 1276 R N 1.013 121.501 120.500 -0.020 0.000 2.861 1276 R HA 0.094 4.424 4.340 -0.015 0.000 0.268 1276 R C -0.305 176.002 176.300 0.012 0.000 1.027 1276 R CA 0.390 56.496 56.100 0.010 0.000 1.163 1276 R CB 0.162 30.487 30.300 0.041 0.000 1.060 1276 R HN 0.134 nan 8.270 nan 0.000 0.483 1277 T N 3.555 118.139 114.554 0.050 0.000 2.916 1277 T HA 0.275 4.616 4.350 -0.015 0.000 0.303 1277 T C -0.129 174.669 174.700 0.164 0.000 1.025 1277 T CA 0.083 62.228 62.100 0.075 0.000 1.142 1277 T CB 0.282 69.203 68.868 0.088 0.000 0.947 1277 T HN 0.297 nan 8.240 nan 0.000 0.544 1278 L N 1.107 122.345 121.223 0.024 0.000 2.277 1278 L HA 0.529 4.860 4.340 -0.015 0.000 0.254 1278 L C 1.806 178.439 176.870 -0.395 0.000 1.044 1278 L CA -1.188 53.571 54.840 -0.135 0.000 0.842 1278 L CB 1.339 43.336 42.059 -0.102 0.000 1.422 1278 L HN 0.761 nan 8.230 nan 0.000 0.422 1279 G N -0.404 107.997 108.800 -0.665 0.000 2.501 1279 G HA2 -0.212 3.739 3.960 -0.015 0.000 0.220 1279 G HA3 -0.212 3.739 3.960 -0.015 0.000 0.220 1279 G C 1.072 175.546 174.900 -0.709 0.000 1.114 1279 G CA 1.067 45.761 45.100 -0.678 0.000 0.757 1279 G HN 0.782 nan 8.290 nan 0.000 0.559 1280 C N -0.231 118.455 119.300 -1.023 0.000 2.673 1280 C HA 0.525 4.976 4.460 -0.015 0.000 0.274 1280 C C 1.123 175.791 174.990 -0.537 0.000 1.276 1280 C CA -1.251 57.297 59.018 -0.783 0.000 1.701 1280 C CB -1.084 26.106 27.740 -0.916 0.000 1.836 1280 C HN 0.091 nan 8.230 nan 0.000 0.596 1281 S N 1.322 116.703 115.700 -0.532 0.000 2.430 1281 S HA 0.349 4.809 4.470 -0.015 0.000 0.282 1281 S C -0.787 173.542 174.600 -0.452 0.000 1.186 1281 S CA 0.085 58.079 58.200 -0.343 0.000 1.060 1281 S CB -0.102 62.980 63.200 -0.197 0.000 0.966 1281 S HN 0.719 nan 8.310 nan 0.000 0.501 1282 W N 1.492 122.734 121.300 -0.097 0.000 2.799 1282 W HA 0.603 5.254 4.660 -0.015 0.000 0.349 1282 W C 0.205 176.645 176.519 -0.132 0.000 1.100 1282 W CA -0.788 56.458 57.345 -0.164 0.000 1.174 1282 W CB 1.220 30.517 29.460 -0.273 0.000 1.427 1282 W HN 0.379 nan 8.180 nan 0.000 0.547 1283 E N 0.961 121.226 120.200 0.108 0.000 2.292 1283 E HA 0.445 4.786 4.350 -0.015 0.000 0.272 1283 E C -1.653 174.883 176.600 -0.107 0.000 0.881 1283 E CA -0.722 55.724 56.400 0.077 0.000 0.754 1283 E CB 1.221 31.012 29.700 0.152 0.000 1.201 1283 E HN 0.159 nan 8.360 nan 0.000 0.425 1284 F N 3.736 123.598 119.950 -0.145 0.000 2.404 1284 F HA 0.458 4.976 4.527 -0.015 0.000 0.345 1284 F C 0.125 175.851 175.800 -0.123 0.000 1.110 1284 F CA -0.463 57.371 58.000 -0.276 0.000 1.130 1284 F CB 0.779 39.287 39.000 -0.820 0.000 1.129 1284 F HN 0.307 nan 8.300 nan 0.000 0.500 1285 I N 6.038 126.713 120.570 0.175 0.000 2.420 1285 I HA 0.298 4.459 4.170 -0.015 0.000 0.282 1285 I C -2.418 173.939 176.117 0.400 0.000 1.019 1285 I CA -2.042 59.330 61.300 0.120 0.000 1.130 1285 I CB 1.695 39.611 38.000 -0.140 0.000 1.262 1285 I HN 0.308 nan 8.210 nan 0.000 0.454 1286 P HA 0.208 nan 4.420 nan 0.000 0.281 1286 P C -0.219 177.323 177.300 0.404 0.000 1.264 1286 P CA -0.375 62.932 63.100 0.346 0.000 0.824 1286 P CB 1.641 33.531 31.700 0.316 0.000 1.092 1287 V N 2.017 121.992 119.914 0.102 0.000 2.673 1287 V HA 0.063 4.174 4.120 -0.015 0.000 0.303 1287 V C 0.654 176.913 176.094 0.274 0.000 1.046 1287 V CA 1.045 63.367 62.300 0.037 0.000 1.126 1287 V CB -0.045 31.718 31.823 -0.101 0.000 0.934 1287 V HN 0.675 nan 8.190 nan 0.000 0.487 1288 D N 2.880 123.511 120.400 0.384 0.000 2.970 1288 D HA 0.171 4.802 4.640 -0.015 0.000 0.230 1288 D C -0.044 176.381 176.300 0.209 0.000 1.276 1288 D CA -0.510 53.584 54.000 0.156 0.000 0.910 1288 D CB 2.096 42.724 40.800 -0.286 0.000 1.590 1288 D HN 0.493 nan 8.370 nan 0.000 0.551 1289 D N 2.262 122.770 120.400 0.179 0.000 2.228 1289 D HA -0.099 4.532 4.640 -0.015 0.000 0.203 1289 D C 1.876 178.315 176.300 0.232 0.000 0.988 1289 D CA 1.063 55.181 54.000 0.196 0.000 0.864 1289 D CB -0.026 40.895 40.800 0.202 0.000 0.928 1289 D HN 0.617 nan 8.370 nan 0.000 0.469 1290 G N -0.960 107.976 108.800 0.227 0.000 2.744 1290 G HA2 -0.171 3.780 3.960 -0.015 0.000 0.211 1290 G HA3 -0.171 3.780 3.960 -0.015 0.000 0.211 1290 G C 1.171 176.215 174.900 0.241 0.000 1.143 1290 G CA -0.117 45.114 45.100 0.218 0.000 0.788 1290 G HN 0.320 nan 8.290 nan 0.000 0.534 1291 W N 0.039 121.347 121.300 0.014 0.000 2.699 1291 W HA 0.200 4.850 4.660 -0.015 0.000 0.265 1291 W C 1.646 178.273 176.519 0.180 0.000 1.210 1291 W CA 0.795 58.161 57.345 0.035 0.000 1.414 1291 W CB 0.492 30.000 29.460 0.079 0.000 1.043 1291 W HN 0.359 nan 8.180 nan 0.000 0.599 1292 G N 1.836 110.777 108.800 0.235 0.000 2.184 1292 G HA2 -0.371 3.580 3.960 -0.015 0.000 0.264 1292 G HA3 -0.371 3.580 3.960 -0.015 0.000 0.264 1292 G C 0.216 175.113 174.900 -0.006 0.000 0.975 1292 G CA 0.597 45.751 45.100 0.090 0.000 0.642 1292 G HN 0.444 nan 8.290 nan 0.000 0.536 1293 E N 0.012 120.112 120.200 -0.167 0.000 2.422 1293 E HA 0.424 4.765 4.350 -0.015 0.000 0.260 1293 E C 0.346 176.982 176.600 0.061 0.000 1.108 1293 E CA -0.447 55.843 56.400 -0.184 0.000 0.943 1293 E CB 0.300 29.752 29.700 -0.413 0.000 0.961 1293 E HN 0.231 nan 8.360 nan 0.000 0.443 1294 R N 3.897 124.447 120.500 0.084 0.000 2.337 1294 R HA 0.357 4.688 4.340 -0.015 0.000 0.319 1294 R C -2.297 174.115 176.300 0.187 0.000 0.954 1294 R CA -1.685 54.507 56.100 0.154 0.000 0.840 1294 R CB 0.757 31.108 30.300 0.085 0.000 1.164 1294 R HN 0.430 nan 8.270 nan 0.000 0.472 1295 P HA 0.000 nan 4.420 nan 0.000 0.216 1295 P CA 0.000 63.233 63.100 0.222 0.000 0.800 1295 P CB 0.000 31.863 31.700 0.272 0.000 0.726