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 1vlf_1_W DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 G N -0.948 107.865 108.800 0.022 0.000 2.570 2 G HA2 0.674 4.634 3.960 -0.000 0.000 0.310 2 G HA3 0.674 4.634 3.960 -0.000 0.000 0.310 2 G C -1.500 173.415 174.900 0.025 0.000 1.266 2 G CA -0.642 44.472 45.100 0.024 0.000 0.825 2 G HN -0.076 nan 8.290 nan 0.000 0.483 3 E N -0.817 119.399 120.200 0.027 0.000 2.267 3 E HA 0.559 4.908 4.350 -0.000 0.000 0.258 3 E C -0.242 176.381 176.600 0.039 0.000 1.074 3 E CA -0.655 55.763 56.400 0.029 0.000 0.915 3 E CB 1.853 31.567 29.700 0.024 0.000 1.186 3 E HN 0.222 nan 8.360 nan 0.000 0.439 4 V N 1.237 121.181 119.914 0.049 0.000 2.465 4 V HA 0.218 4.338 4.120 -0.000 0.000 0.279 4 V C 0.085 176.214 176.094 0.058 0.000 1.045 4 V CA -0.522 61.823 62.300 0.076 0.000 0.938 4 V CB 1.393 33.285 31.823 0.115 0.000 0.986 4 V HN 0.290 nan 8.190 nan 0.000 0.467 5 V N 5.322 125.259 119.914 0.038 0.000 2.628 5 V HA 0.513 4.633 4.120 -0.000 0.000 0.306 5 V C 0.100 176.118 176.094 -0.126 0.000 1.045 5 V CA -0.913 61.370 62.300 -0.029 0.000 0.905 5 V CB 1.944 33.756 31.823 -0.018 0.000 0.997 5 V HN 0.835 nan 8.190 nan 0.000 0.436 6 R N 4.109 124.450 120.500 -0.265 0.000 2.198 6 R HA 0.637 4.977 4.340 -0.000 0.000 0.339 6 R C -1.172 174.940 176.300 -0.314 0.000 1.020 6 R CA -0.300 55.473 56.100 -0.545 0.000 0.864 6 R CB 0.475 30.309 30.300 -0.777 0.000 1.105 6 R HN 0.691 nan 8.270 nan 0.000 0.463 7 L N 1.936 123.037 121.223 -0.204 0.000 2.347 7 L HA 0.601 4.941 4.340 -0.000 0.000 0.268 7 L C 0.323 177.213 176.870 0.033 0.000 1.019 7 L CA -1.025 53.767 54.840 -0.080 0.000 0.806 7 L CB 2.055 44.082 42.059 -0.052 0.000 1.339 7 L HN 0.652 nan 8.230 nan 0.000 0.463 8 T N -2.062 112.508 114.554 0.026 0.000 2.907 8 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 8 T C -0.657 174.018 174.700 -0.042 0.000 1.043 8 T CA -0.704 61.427 62.100 0.052 0.000 1.003 8 T CB 2.417 71.330 68.868 0.075 0.000 1.084 8 T HN 0.578 nan 8.240 nan 0.000 0.483 9 N N -0.362 118.287 118.700 -0.085 0.000 3.339 9 N HA 0.537 5.277 4.740 -0.000 0.000 0.275 9 N C -1.629 173.770 175.510 -0.184 0.000 1.514 9 N CA -0.421 52.505 53.050 -0.206 0.000 0.879 9 N CB 1.857 40.047 38.487 -0.495 0.000 1.557 9 N HN 0.783 nan 8.380 nan 0.000 0.524 10 S N -1.093 114.477 115.700 -0.216 0.000 2.819 10 S HA 0.873 5.343 4.470 -0.000 0.000 0.299 10 S C -1.554 172.964 174.600 -0.137 0.000 1.192 10 S CA 0.100 58.228 58.200 -0.119 0.000 0.847 10 S CB 0.758 64.021 63.200 0.105 0.000 1.224 10 S HN 0.955 nan 8.310 nan 0.000 0.537 11 S N -0.599 114.975 115.700 -0.210 0.000 2.655 11 S HA 0.327 4.797 4.470 -0.000 0.000 0.266 11 S C 0.426 174.763 174.600 -0.438 0.000 1.149 11 S CA 0.180 58.271 58.200 -0.182 0.000 0.818 11 S CB 0.285 63.356 63.200 -0.214 0.000 1.130 11 S HN 1.169 nan 8.310 nan 0.000 0.476 12 T N -2.041 112.433 114.554 -0.133 0.000 3.163 12 T HA 0.244 4.594 4.350 -0.000 0.000 0.260 12 T C 1.243 176.021 174.700 0.130 0.000 1.156 12 T CA 0.965 63.030 62.100 -0.059 0.000 1.072 12 T CB -0.725 68.330 68.868 0.312 0.000 0.937 12 T HN 1.232 nan 8.240 nan 0.000 0.528 13 G N -0.212 108.617 108.800 0.048 0.000 3.519 13 G HA2 0.576 4.535 3.960 -0.000 0.000 0.269 13 G HA3 0.576 4.535 3.960 -0.000 0.000 0.269 13 G C 0.525 175.323 174.900 -0.169 0.000 1.028 13 G CA -0.132 44.950 45.100 -0.030 0.000 0.809 13 G HN 0.974 nan 8.290 nan 0.000 0.521 14 G N -0.237 108.416 108.800 -0.244 0.000 2.539 14 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 14 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 14 G C -3.342 171.227 174.900 -0.552 0.000 1.258 14 G CA -0.956 43.857 45.100 -0.477 0.000 0.846 14 G HN 0.130 nan 8.290 nan 0.000 0.647 15 P HA 0.521 nan 4.420 nan 0.000 0.272 15 P C 0.110 177.163 177.300 -0.413 0.000 1.230 15 P CA -0.059 62.737 63.100 -0.506 0.000 0.788 15 P CB 1.329 32.691 31.700 -0.563 0.000 0.949 16 V N -1.829 117.903 119.914 -0.303 0.000 3.147 16 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 16 V C -1.249 174.750 176.094 -0.159 0.000 1.209 16 V CA -1.045 61.125 62.300 -0.217 0.000 1.023 16 V CB 1.765 33.583 31.823 -0.009 0.000 1.059 16 V HN 0.283 nan 8.190 nan 0.000 0.435 17 F N 1.356 121.289 119.950 -0.029 0.000 2.408 17 F HA 0.724 5.251 4.527 -0.000 0.000 0.344 17 F C 0.062 175.880 175.800 0.030 0.000 1.112 17 F CA -0.920 57.042 58.000 -0.063 0.000 1.096 17 F CB 2.105 41.065 39.000 -0.067 0.000 1.129 17 F HN 0.387 nan 8.300 nan 0.000 0.486 18 V N 4.672 124.694 119.914 0.180 0.000 2.378 18 V HA 0.221 4.340 4.120 -0.000 0.000 0.288 18 V C -0.886 175.244 176.094 0.059 0.000 1.016 18 V CA -0.997 61.425 62.300 0.204 0.000 0.840 18 V CB 0.908 32.877 31.823 0.243 0.000 0.994 18 V HN 0.444 nan 8.190 nan 0.000 0.431 19 Y N 3.686 124.045 120.300 0.099 0.000 2.350 19 Y HA 0.585 5.135 4.550 -0.000 0.000 0.340 19 Y C 0.231 176.172 175.900 0.067 0.000 1.006 19 Y CA -0.557 57.578 58.100 0.059 0.000 1.166 19 Y CB 1.480 39.964 38.460 0.040 0.000 1.168 19 Y HN 0.380 nan 8.280 nan 0.000 0.502 20 V N 4.211 124.217 119.914 0.154 0.000 2.680 20 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 20 V C -0.599 175.556 176.094 0.101 0.000 1.052 20 V CA -1.410 60.965 62.300 0.125 0.000 0.908 20 V CB 2.125 34.003 31.823 0.092 0.000 1.001 20 V HN 0.638 nan 8.190 nan 0.000 0.431 21 K N 2.566 123.021 120.400 0.091 0.000 2.601 21 K HA 0.343 4.663 4.320 -0.000 0.000 0.249 21 K C -1.113 175.521 176.600 0.057 0.000 0.966 21 K CA -0.461 55.867 56.287 0.068 0.000 0.827 21 K CB 1.147 33.685 32.500 0.063 0.000 1.178 21 K HN 0.765 nan 8.250 nan 0.000 0.437 22 D N 3.555 123.985 120.400 0.050 0.000 2.705 22 D HA -0.173 4.467 4.640 -0.000 0.000 0.240 22 D C 0.581 176.911 176.300 0.051 0.000 1.137 22 D CA 1.767 55.793 54.000 0.043 0.000 0.677 22 D CB -1.163 39.656 40.800 0.031 0.000 1.049 22 D HN 1.132 nan 8.370 nan 0.000 0.427 23 G N 0.073 108.912 108.800 0.063 0.000 2.168 23 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.257 23 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.257 23 G C 0.255 175.218 174.900 0.104 0.000 0.997 23 G CA 1.045 46.191 45.100 0.077 0.000 0.708 23 G HN 0.668 nan 8.290 nan 0.000 0.520 24 K N -0.066 120.398 120.400 0.106 0.000 2.378 24 K HA 0.648 4.968 4.320 -0.000 0.000 0.252 24 K C 0.144 176.850 176.600 0.178 0.000 0.931 24 K CA -1.257 55.116 56.287 0.143 0.000 0.794 24 K CB 1.073 33.600 32.500 0.045 0.000 1.181 24 K HN 0.094 nan 8.250 nan 0.000 0.425 25 I N 6.239 126.979 120.570 0.283 0.000 2.452 25 I HA 0.022 4.191 4.170 -0.000 0.000 0.287 25 I C 1.212 177.455 176.117 0.210 0.000 1.079 25 I CA -0.016 61.426 61.300 0.237 0.000 1.387 25 I CB 0.724 38.846 38.000 0.204 0.000 1.404 25 I HN 0.689 nan 8.210 nan 0.000 0.522 26 I N 5.799 126.472 120.570 0.172 0.000 2.429 26 I HA 0.030 4.200 4.170 -0.000 0.000 0.247 26 I C 0.941 177.126 176.117 0.114 0.000 1.099 26 I CA 0.585 61.960 61.300 0.124 0.000 1.422 26 I CB 0.065 38.125 38.000 0.101 0.000 1.112 26 I HN 0.658 nan 8.210 nan 0.000 0.430 27 R N 0.280 120.869 120.500 0.149 0.000 2.716 27 R HA 0.641 4.981 4.340 -0.000 0.000 0.271 27 R C -1.672 174.756 176.300 0.214 0.000 1.028 27 R CA -0.818 55.356 56.100 0.124 0.000 0.883 27 R CB 1.490 31.793 30.300 0.006 0.000 1.250 27 R HN -0.128 nan 8.270 nan 0.000 0.465 28 M N 1.424 121.128 119.600 0.174 0.000 2.393 28 M HA 0.463 4.943 4.480 -0.000 0.000 0.299 28 M C -0.977 175.421 176.300 0.164 0.000 1.103 28 M CA -0.764 54.659 55.300 0.205 0.000 0.910 28 M CB 2.732 35.423 32.600 0.151 0.000 1.659 28 M HN 0.981 nan 8.290 nan 0.000 0.445 29 T N 0.053 114.724 114.554 0.195 0.000 2.841 29 T HA 0.752 5.102 4.350 -0.000 0.000 0.296 29 T C -3.092 171.631 174.700 0.039 0.000 1.166 29 T CA -1.914 60.263 62.100 0.128 0.000 1.007 29 T CB 2.101 71.083 68.868 0.189 0.000 1.253 29 T HN 0.239 nan 8.240 nan 0.000 0.511 30 P HA 0.388 nan 4.420 nan 0.000 0.273 30 P C -0.705 176.463 177.300 -0.220 0.000 1.250 30 P CA -0.567 62.445 63.100 -0.146 0.000 0.793 30 P CB 0.309 31.946 31.700 -0.104 0.000 1.011 31 M N 0.976 120.311 119.600 -0.442 0.000 2.205 31 M HA 0.293 4.773 4.480 -0.000 0.000 0.344 31 M C -0.568 175.519 176.300 -0.356 0.000 1.085 31 M CA -0.501 54.398 55.300 -0.669 0.000 1.001 31 M CB 0.961 32.846 32.600 -1.192 0.000 1.626 31 M HN 0.134 nan 8.290 nan 0.000 0.442 32 D N 2.965 123.368 120.400 0.005 0.000 2.256 32 D HA 0.383 5.023 4.640 -0.000 0.000 0.250 32 D C -0.677 175.715 176.300 0.154 0.000 1.093 32 D CA 0.129 54.109 54.000 -0.033 0.000 0.882 32 D CB 0.790 41.638 40.800 0.079 0.000 1.185 32 D HN 0.350 nan 8.370 nan 0.000 0.437 33 F N 0.431 120.382 119.950 0.002 0.000 2.382 33 F HA 0.132 4.659 4.527 -0.000 0.000 0.331 33 F C 1.086 176.937 175.800 0.084 0.000 1.121 33 F CA -0.826 57.199 58.000 0.042 0.000 1.183 33 F CB 0.991 39.956 39.000 -0.058 0.000 1.207 33 F HN 0.129 nan 8.300 nan 0.000 0.555 34 D N 1.786 122.384 120.400 0.329 0.000 2.454 34 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 34 D C 0.271 176.645 176.300 0.124 0.000 1.081 34 D CA -0.449 53.663 54.000 0.188 0.000 0.864 34 D CB 0.600 41.498 40.800 0.164 0.000 1.040 34 D HN 0.306 nan 8.370 nan 0.000 0.517 35 D N 2.679 123.141 120.400 0.104 0.000 2.354 35 D HA -0.121 4.518 4.640 -0.000 0.000 0.216 35 D C 1.583 177.909 176.300 0.042 0.000 0.970 35 D CA 0.785 54.825 54.000 0.067 0.000 0.905 35 D CB 0.138 40.974 40.800 0.061 0.000 0.903 35 D HN 0.535 nan 8.370 nan 0.000 0.508 36 A N -0.099 122.747 122.820 0.043 0.000 2.072 36 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 36 A C 2.031 179.629 177.584 0.023 0.000 1.156 36 A CA 1.050 53.105 52.037 0.030 0.000 0.701 36 A CB 0.198 19.215 19.000 0.029 0.000 0.816 36 A HN 0.235 nan 8.150 nan 0.000 0.458 37 V N -4.560 115.366 119.914 0.019 0.000 3.497 37 V HA 0.268 4.388 4.120 -0.000 0.000 0.272 37 V C -0.681 175.391 176.094 -0.036 0.000 1.474 37 V CA -0.260 62.040 62.300 0.000 0.000 1.025 37 V CB 0.070 31.886 31.823 -0.011 0.000 0.820 37 V HN 0.151 nan 8.190 nan 0.000 0.437 38 D N 2.766 123.136 120.400 -0.049 0.000 2.233 38 D HA 0.666 5.306 4.640 -0.000 0.000 0.240 38 D C 0.489 176.693 176.300 -0.160 0.000 1.074 38 D CA 0.464 54.367 54.000 -0.162 0.000 0.838 38 D CB 2.028 42.710 40.800 -0.196 0.000 1.124 38 D HN 0.516 nan 8.370 nan 0.000 0.475 39 A N 3.894 126.575 122.820 -0.232 0.000 2.561 39 A HA 0.229 4.549 4.320 -0.000 0.000 0.234 39 A C -2.008 175.518 177.584 -0.096 0.000 1.055 39 A CA -0.526 51.415 52.037 -0.160 0.000 0.756 39 A CB -0.463 18.396 19.000 -0.235 0.000 0.986 39 A HN 0.328 nan 8.150 nan 0.000 0.505 40 P HA 0.164 nan 4.420 nan 0.000 0.268 40 P C -0.084 177.242 177.300 0.044 0.000 1.208 40 P CA 0.010 63.121 63.100 0.018 0.000 0.777 40 P CB 0.543 32.256 31.700 0.021 0.000 0.875 41 S N 0.866 116.600 115.700 0.057 0.000 2.669 41 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 41 S C -0.021 174.542 174.600 -0.062 0.000 1.225 41 S CA -0.708 57.483 58.200 -0.014 0.000 0.991 41 S CB 0.205 63.349 63.200 -0.092 0.000 0.987 41 S HN 0.496 nan 8.310 nan 0.000 0.552 42 W N 0.449 121.765 121.300 0.026 0.000 2.086 42 W HA 0.604 5.264 4.660 -0.000 0.000 0.355 42 W C -0.676 175.867 176.519 0.040 0.000 1.313 42 W CA -0.615 56.741 57.345 0.018 0.000 1.358 42 W CB -0.050 29.407 29.460 -0.006 0.000 1.166 42 W HN 0.385 nan 8.180 nan 0.000 0.630 43 K N 1.105 121.762 120.400 0.428 0.000 2.469 43 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 43 K C -1.147 175.674 176.600 0.369 0.000 0.939 43 K CA -0.951 55.513 56.287 0.295 0.000 0.812 43 K CB 2.753 35.318 32.500 0.108 0.000 1.301 43 K HN 0.371 nan 8.250 nan 0.000 0.433 44 I N 2.043 122.810 120.570 0.328 0.000 2.499 44 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 44 I C -0.913 175.310 176.117 0.177 0.000 1.048 44 I CA -0.816 60.627 61.300 0.239 0.000 1.062 44 I CB 2.146 40.295 38.000 0.250 0.000 1.238 44 I HN 0.447 nan 8.210 nan 0.000 0.426 45 E N 5.019 125.281 120.200 0.104 0.000 2.109 45 E HA 0.732 5.082 4.350 -0.000 0.000 0.278 45 E C -0.851 175.799 176.600 0.082 0.000 0.954 45 E CA -0.285 56.149 56.400 0.057 0.000 0.779 45 E CB 1.772 31.482 29.700 0.017 0.000 1.093 45 E HN 0.637 nan 8.360 nan 0.000 0.401 46 A N 3.556 126.458 122.820 0.136 0.000 2.459 46 A HA 0.553 4.872 4.320 -0.000 0.000 0.296 46 A C -0.609 177.058 177.584 0.138 0.000 1.039 46 A CA -0.840 51.274 52.037 0.128 0.000 0.698 46 A CB 0.857 19.942 19.000 0.141 0.000 1.261 46 A HN 0.707 nan 8.150 nan 0.000 0.405 47 R N 1.330 121.863 120.500 0.056 0.000 3.251 47 R HA -0.224 4.115 4.340 -0.000 0.000 0.249 47 R C 1.095 177.412 176.300 0.029 0.000 0.949 47 R CA 1.142 57.271 56.100 0.049 0.000 0.645 47 R CB -1.975 28.372 30.300 0.079 0.000 1.065 47 R HN 2.531 nan 8.270 nan 0.000 0.452 48 G N -0.438 108.361 108.800 -0.002 0.000 2.166 48 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 48 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 48 G C 0.015 174.856 174.900 -0.097 0.000 0.986 48 G CA 1.158 46.236 45.100 -0.036 0.000 0.683 48 G HN 0.471 nan 8.290 nan 0.000 0.527 49 K N -0.606 119.700 120.400 -0.156 0.000 2.395 49 K HA 0.653 4.972 4.320 -0.000 0.000 0.247 49 K C -0.812 175.472 176.600 -0.527 0.000 0.973 49 K CA -0.711 55.334 56.287 -0.402 0.000 0.828 49 K CB 1.849 33.967 32.500 -0.638 0.000 1.272 49 K HN 0.029 nan 8.250 nan 0.000 0.439 50 T N 1.911 116.086 114.554 -0.632 0.000 2.772 50 T HA 0.455 4.805 4.350 -0.000 0.000 0.288 50 T C -0.958 173.315 174.700 -0.712 0.000 0.994 50 T CA -0.517 61.300 62.100 -0.471 0.000 0.951 50 T CB -0.015 68.703 68.868 -0.251 0.000 0.933 50 T HN 0.227 nan 8.240 nan 0.000 0.447 51 F N 1.820 121.570 119.950 -0.335 0.000 2.427 51 F HA 0.623 5.149 4.527 -0.000 0.000 0.346 51 F C 0.864 176.446 175.800 -0.363 0.000 1.120 51 F CA -0.715 56.886 58.000 -0.666 0.000 1.033 51 F CB 2.002 40.307 39.000 -1.157 0.000 1.126 51 F HN 0.360 nan 8.300 nan 0.000 0.462 52 T N 4.730 119.204 114.554 -0.132 0.000 2.933 52 T HA 0.488 4.838 4.350 -0.000 0.000 0.305 52 T C -2.820 171.893 174.700 0.022 0.000 1.092 52 T CA -1.795 60.179 62.100 -0.210 0.000 1.008 52 T CB 1.664 70.430 68.868 -0.169 0.000 1.102 52 T HN 0.335 nan 8.240 nan 0.000 0.469 53 P HA 0.455 nan 4.420 nan 0.000 0.276 53 P C -2.805 174.529 177.300 0.057 0.000 1.261 53 P CA -1.467 61.625 63.100 -0.013 0.000 0.800 53 P CB -0.481 31.100 31.700 -0.198 0.000 1.066 54 P HA 0.208 nan 4.420 nan 0.000 0.271 54 P C 0.287 177.595 177.300 0.012 0.000 1.218 54 P CA -0.103 63.020 63.100 0.038 0.000 0.780 54 P CB 0.301 31.998 31.700 -0.004 0.000 0.901 55 R N 2.813 123.277 120.500 -0.061 0.000 4.860 55 R HA 0.136 4.475 4.340 -0.000 0.000 0.191 55 R C 0.381 176.287 176.300 -0.657 0.000 1.936 55 R CA 0.369 56.373 56.100 -0.160 0.000 1.609 55 R CB -0.680 29.626 30.300 0.009 0.000 1.392 55 R HN 0.491 nan 8.270 nan 0.000 0.844 56 K N -0.205 119.691 120.400 -0.839 0.000 2.625 56 K HA 0.134 4.454 4.320 -0.000 0.000 0.284 56 K C -0.758 175.490 176.600 -0.586 0.000 0.984 56 K CA -0.489 55.265 56.287 -0.889 0.000 0.865 56 K CB 1.553 33.813 32.500 -0.399 0.000 1.468 56 K HN 0.101 nan 8.250 nan 0.000 0.407 57 T N -1.120 113.153 114.554 -0.469 0.000 2.884 57 T HA 0.671 5.021 4.350 -0.000 0.000 0.277 57 T C 0.060 174.713 174.700 -0.079 0.000 0.976 57 T CA -0.445 61.581 62.100 -0.122 0.000 0.956 57 T CB 1.264 70.029 68.868 -0.171 0.000 1.113 57 T HN 0.640 nan 8.240 nan 0.000 0.554 58 S N -0.320 115.405 115.700 0.042 0.000 2.661 58 S HA 0.815 5.284 4.470 -0.000 0.000 0.285 58 S C -0.635 173.965 174.600 -0.000 0.000 1.138 58 S CA -1.084 57.145 58.200 0.048 0.000 0.855 58 S CB 1.095 64.387 63.200 0.154 0.000 1.136 58 S HN 1.256 nan 8.310 nan 0.000 0.484 59 I N -1.984 118.582 120.570 -0.007 0.000 2.969 59 I HA 0.924 5.094 4.170 -0.000 0.000 0.307 59 I C -0.261 175.736 176.117 -0.200 0.000 1.149 59 I CA -1.626 59.599 61.300 -0.125 0.000 1.008 59 I CB 1.577 39.501 38.000 -0.126 0.000 1.232 59 I HN 0.874 nan 8.210 nan 0.000 0.435 60 A N 3.788 126.332 122.820 -0.459 0.000 2.271 60 A HA 0.680 5.000 4.320 -0.000 0.000 0.288 60 A C -1.919 175.354 177.584 -0.519 0.000 1.094 60 A CA -1.566 50.032 52.037 -0.733 0.000 0.828 60 A CB -0.106 18.146 19.000 -1.247 0.000 1.091 60 A HN 0.712 nan 8.150 nan 0.000 0.493 61 P HA -0.224 nan 4.420 nan 0.000 0.215 61 P C 0.915 178.172 177.300 -0.071 0.000 1.157 61 P CA 2.249 65.312 63.100 -0.062 0.000 0.874 61 P CB -0.258 31.541 31.700 0.165 0.000 0.790 62 Y N -2.391 117.947 120.300 0.063 0.000 2.403 62 Y HA -0.040 4.509 4.550 -0.000 0.000 0.291 62 Y C 1.953 177.951 175.900 0.164 0.000 1.143 62 Y CA 1.123 59.270 58.100 0.077 0.000 1.257 62 Y CB -2.269 36.220 38.460 0.048 0.000 0.984 62 Y HN -0.151 nan 8.280 nan 0.000 0.550 63 T N 0.316 114.863 114.554 -0.012 0.000 2.937 63 T HA 0.087 4.436 4.350 -0.000 0.000 0.260 63 T C 2.253 177.013 174.700 0.101 0.000 1.051 63 T CA 0.960 63.108 62.100 0.081 0.000 1.141 63 T CB -0.422 68.385 68.868 -0.102 0.000 0.879 63 T HN 0.537 nan 8.240 nan 0.000 0.459 64 A N 1.195 124.035 122.820 0.034 0.000 1.940 64 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 64 A C 2.166 179.829 177.584 0.132 0.000 1.176 64 A CA 1.688 53.765 52.037 0.066 0.000 0.631 64 A CB -0.832 18.194 19.000 0.043 0.000 0.814 64 A HN 0.501 nan 8.150 nan 0.000 0.446 65 G N -2.791 106.106 108.800 0.162 0.000 3.605 65 G HA2 0.293 4.253 3.960 -0.000 0.000 0.277 65 G HA3 0.293 4.253 3.960 -0.000 0.000 0.277 65 G C 0.705 175.656 174.900 0.085 0.000 1.093 65 G CA 0.068 45.295 45.100 0.212 0.000 0.821 65 G HN 0.330 nan 8.290 nan 0.000 0.532 66 F N 1.197 121.129 119.950 -0.030 0.000 2.269 66 F HA 0.011 4.538 4.527 -0.000 0.000 0.301 66 F C 2.441 178.117 175.800 -0.207 0.000 1.082 66 F CA 1.455 59.399 58.000 -0.095 0.000 1.360 66 F CB 0.298 39.254 39.000 -0.072 0.000 1.041 66 F HN 0.207 nan 8.300 nan 0.000 0.512 67 K N 0.126 120.468 120.400 -0.097 0.000 2.152 67 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 67 K C 2.151 178.590 176.600 -0.267 0.000 1.048 67 K CA 1.666 57.844 56.287 -0.182 0.000 0.933 67 K CB -0.293 32.222 32.500 0.025 0.000 0.721 67 K HN 0.392 nan 8.250 nan 0.000 0.447 68 S N -0.099 115.328 115.700 -0.455 0.000 2.474 68 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 68 S C 1.816 176.178 174.600 -0.397 0.000 0.997 68 S CA 0.827 58.645 58.200 -0.637 0.000 0.949 68 S CB -0.134 62.206 63.200 -1.433 0.000 0.766 68 S HN 0.293 nan 8.310 nan 0.000 0.517 69 M N 0.544 119.870 119.600 -0.457 0.000 2.357 69 M HA 0.248 4.727 4.480 -0.000 0.000 0.266 69 M C 2.014 178.262 176.300 -0.086 0.000 1.095 69 M CA 0.860 55.938 55.300 -0.370 0.000 1.156 69 M CB -0.387 31.753 32.600 -0.765 0.000 1.365 69 M HN 0.265 nan 8.290 nan 0.000 0.447 70 I N -0.623 119.735 120.570 -0.354 0.000 2.163 70 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 70 I C 1.005 176.965 176.117 -0.262 0.000 1.085 70 I CA 1.502 62.591 61.300 -0.351 0.000 1.347 70 I CB -0.299 37.314 38.000 -0.645 0.000 1.044 70 I HN 0.237 nan 8.210 nan 0.000 0.408 71 Y N 0.877 121.137 120.300 -0.068 0.000 2.718 71 Y HA 0.235 4.785 4.550 -0.000 0.000 0.322 71 Y C 1.146 177.029 175.900 -0.030 0.000 1.122 71 Y CA -0.706 57.368 58.100 -0.043 0.000 1.348 71 Y CB -0.589 37.842 38.460 -0.048 0.000 1.174 71 Y HN -0.061 nan 8.280 nan 0.000 0.523 72 S N 1.183 116.962 115.700 0.132 0.000 2.564 72 S HA -0.020 4.449 4.470 -0.000 0.000 0.278 72 S C 1.325 176.002 174.600 0.128 0.000 1.333 72 S CA -0.405 57.868 58.200 0.121 0.000 1.048 72 S CB 0.570 63.893 63.200 0.206 0.000 0.900 72 S HN 0.619 nan 8.310 nan 0.000 0.505 73 D N 3.992 124.444 120.400 0.087 0.000 2.363 73 D HA -0.074 4.566 4.640 -0.000 0.000 0.220 73 D C 1.284 177.656 176.300 0.119 0.000 0.994 73 D CA 0.495 54.527 54.000 0.053 0.000 0.890 73 D CB -0.108 40.697 40.800 0.007 0.000 0.906 73 D HN 0.556 nan 8.370 nan 0.000 0.530 74 L N -0.212 121.149 121.223 0.230 0.000 2.628 74 L HA 0.174 4.513 4.340 -0.000 0.000 0.229 74 L C 0.913 178.042 176.870 0.433 0.000 1.137 74 L CA -0.565 54.515 54.840 0.400 0.000 0.909 74 L CB -0.027 42.225 42.059 0.322 0.000 1.137 74 L HN -0.170 nan 8.230 nan 0.000 0.470 75 R N 1.623 122.300 120.500 0.296 0.000 2.489 75 R HA 0.114 4.454 4.340 -0.000 0.000 0.287 75 R C -0.152 176.171 176.300 0.040 0.000 1.053 75 R CA 0.102 56.250 56.100 0.081 0.000 1.036 75 R CB 0.068 30.361 30.300 -0.012 0.000 0.966 75 R HN 0.063 nan 8.270 nan 0.000 0.432 76 I N 9.056 129.590 120.570 -0.059 0.000 2.664 76 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 76 I C -1.054 174.942 176.117 -0.202 0.000 1.154 76 I CA -1.084 60.153 61.300 -0.105 0.000 1.402 76 I CB 1.002 38.915 38.000 -0.146 0.000 1.395 76 I HN 0.668 nan 8.210 nan 0.000 0.545 77 P HA -0.116 nan 4.420 nan 0.000 0.219 77 P C -0.595 176.457 177.300 -0.412 0.000 1.150 77 P CA 1.622 64.419 63.100 -0.504 0.000 0.814 77 P CB 0.241 31.418 31.700 -0.873 0.000 0.787 78 Y N -5.763 114.496 120.300 -0.069 0.000 2.779 78 Y HA 0.612 5.162 4.550 -0.000 0.000 0.340 78 Y C -3.241 172.489 175.900 -0.284 0.000 1.252 78 Y CA -3.858 54.154 58.100 -0.147 0.000 1.072 78 Y CB -0.893 37.501 38.460 -0.109 0.000 1.343 78 Y HN -0.380 nan 8.280 nan 0.000 0.450 79 P HA 0.240 nan 4.420 nan 0.000 0.264 79 P C -0.839 176.424 177.300 -0.062 0.000 1.193 79 P CA 0.641 63.505 63.100 -0.394 0.000 0.763 79 P CB 0.341 31.615 31.700 -0.709 0.000 0.810 80 M N 2.551 122.117 119.600 -0.057 0.000 2.591 80 M HA 0.479 4.959 4.480 -0.000 0.000 0.306 80 M C -0.066 176.316 176.300 0.135 0.000 1.190 80 M CA -0.636 54.710 55.300 0.076 0.000 0.889 80 M CB 2.865 35.474 32.600 0.015 0.000 1.728 80 M HN 0.104 nan 8.290 nan 0.000 0.458 81 K N 1.502 122.052 120.400 0.249 0.000 2.427 81 K HA 0.478 4.798 4.320 -0.000 0.000 0.252 81 K C -1.171 175.591 176.600 0.271 0.000 0.931 81 K CA -0.789 55.659 56.287 0.268 0.000 0.793 81 K CB 2.267 34.885 32.500 0.197 0.000 1.211 81 K HN 0.757 nan 8.250 nan 0.000 0.426 82 R N 3.640 124.244 120.500 0.172 0.000 2.421 82 R HA 0.028 4.367 4.340 -0.000 0.000 0.305 82 R C 0.507 176.807 176.300 -0.001 0.000 1.039 82 R CA 0.401 56.389 56.100 -0.188 0.000 1.003 82 R CB 0.561 30.765 30.300 -0.160 0.000 0.959 82 R HN 0.683 nan 8.270 nan 0.000 0.427 83 K N 1.468 121.819 120.400 -0.080 0.000 2.032 83 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 83 K C 1.561 178.176 176.600 0.025 0.000 1.048 83 K CA 2.087 58.370 56.287 -0.006 0.000 0.927 83 K CB -0.018 32.465 32.500 -0.028 0.000 0.712 83 K HN 0.697 nan 8.250 nan 0.000 0.441 84 S N 0.422 116.131 115.700 0.015 0.000 2.660 84 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 84 S C 0.200 174.879 174.600 0.130 0.000 0.963 84 S CA -0.218 58.011 58.200 0.048 0.000 0.932 84 S CB -0.447 62.770 63.200 0.028 0.000 0.775 84 S HN 0.228 nan 8.310 nan 0.000 0.531 85 F N 2.642 122.595 119.950 0.004 0.000 2.388 85 F HA 0.586 5.113 4.527 -0.000 0.000 0.358 85 F C -0.830 175.001 175.800 0.052 0.000 1.122 85 F CA -1.484 56.545 58.000 0.049 0.000 1.056 85 F CB 1.230 40.282 39.000 0.087 0.000 1.155 85 F HN 0.012 nan 8.300 nan 0.000 0.461 86 D N 8.364 128.406 120.400 -0.598 0.000 2.462 86 D HA 0.429 5.069 4.640 -0.000 0.000 0.245 86 D C -2.212 173.642 176.300 -0.745 0.000 1.122 86 D CA -2.460 51.210 54.000 -0.550 0.000 0.864 86 D CB 2.241 42.899 40.800 -0.236 0.000 1.098 86 D HN 0.202 nan 8.370 nan 0.000 0.541 87 P HA -0.083 nan 4.420 nan 0.000 0.217 87 P C -0.099 177.054 177.300 -0.244 0.000 1.148 87 P CA 1.041 63.833 63.100 -0.513 0.000 0.828 87 P CB 0.204 31.729 31.700 -0.292 0.000 0.783 88 N N -1.550 117.034 118.700 -0.194 0.000 2.279 88 N HA 0.286 5.026 4.740 -0.000 0.000 0.226 88 N C 0.720 176.176 175.510 -0.090 0.000 1.126 88 N CA 0.135 53.121 53.050 -0.106 0.000 0.846 88 N CB 0.576 39.018 38.487 -0.075 0.000 1.050 88 N HN 0.128 nan 8.380 nan 0.000 0.502 89 G N -0.737 107.993 108.800 -0.117 0.000 3.008 89 G HA2 0.111 4.071 3.960 -0.000 0.000 0.148 89 G HA3 0.111 4.071 3.960 -0.000 0.000 0.148 89 G C -1.244 173.615 174.900 -0.069 0.000 1.184 89 G CA -0.483 44.571 45.100 -0.077 0.000 1.087 89 G HN -0.077 nan 8.290 nan 0.000 0.602 90 E N 1.319 121.486 120.200 -0.054 0.000 2.265 90 E HA 0.234 4.584 4.350 -0.000 0.000 0.272 90 E C 0.947 177.531 176.600 -0.027 0.000 1.067 90 E CA -0.166 56.223 56.400 -0.019 0.000 0.900 90 E CB 1.505 31.204 29.700 -0.002 0.000 1.017 90 E HN 0.407 nan 8.360 nan 0.000 0.431 91 R N 2.128 122.651 120.500 0.038 0.000 2.210 91 R HA 0.026 4.365 4.340 -0.000 0.000 0.203 91 R C -0.108 176.349 176.300 0.262 0.000 1.010 91 R CA -0.153 56.044 56.100 0.162 0.000 1.008 91 R CB 0.060 30.528 30.300 0.281 0.000 0.923 91 R HN 0.469 nan 8.270 nan 0.000 0.469 92 N N 0.841 119.632 118.700 0.152 0.000 2.669 92 N HA -0.121 4.619 4.740 -0.000 0.000 0.266 92 N C -2.202 173.403 175.510 0.160 0.000 1.024 92 N CA 0.396 53.524 53.050 0.131 0.000 0.766 92 N CB -0.578 37.972 38.487 0.105 0.000 0.898 92 N HN 0.205 nan 8.380 nan 0.000 0.548 93 P HA -0.187 nan 4.420 nan 0.000 0.218 93 P C 1.747 179.132 177.300 0.140 0.000 1.148 93 P CA 1.145 64.343 63.100 0.163 0.000 0.822 93 P CB 0.150 31.935 31.700 0.141 0.000 0.784 94 Q N 0.026 119.890 119.800 0.107 0.000 2.437 94 Q HA -0.098 4.242 4.340 -0.000 0.000 0.210 94 Q C 1.413 177.473 176.000 0.101 0.000 0.972 94 Q CA 1.349 57.211 55.803 0.098 0.000 0.903 94 Q CB -1.147 27.632 28.738 0.068 0.000 0.967 94 Q HN 0.336 nan 8.270 nan 0.000 0.486 95 L N 0.662 121.942 121.223 0.096 0.000 2.607 95 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 95 L C 0.664 177.571 176.870 0.060 0.000 1.123 95 L CA -0.301 54.580 54.840 0.068 0.000 0.890 95 L CB 0.121 42.209 42.059 0.048 0.000 1.103 95 L HN -0.023 nan 8.230 nan 0.000 0.468 96 R N 0.821 121.390 120.500 0.115 0.000 2.489 96 R HA 0.213 4.553 4.340 -0.000 0.000 0.287 96 R C 1.149 177.526 176.300 0.129 0.000 1.053 96 R CA 0.754 56.930 56.100 0.127 0.000 1.036 96 R CB 0.282 30.724 30.300 0.238 0.000 0.966 96 R HN 0.298 nan 8.270 nan 0.000 0.432 97 G N 1.721 110.451 108.800 -0.116 0.000 2.162 97 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.260 97 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.260 97 G C 0.946 175.735 174.900 -0.185 0.000 0.976 97 G CA 0.387 45.227 45.100 -0.433 0.000 0.655 97 G HN 0.731 nan 8.290 nan 0.000 0.533 98 A N 0.147 122.919 122.820 -0.081 0.000 1.940 98 A HA 0.259 4.579 4.320 -0.000 0.000 0.219 98 A C 2.785 180.338 177.584 -0.053 0.000 1.176 98 A CA 2.353 54.368 52.037 -0.037 0.000 0.631 98 A CB -0.948 18.040 19.000 -0.020 0.000 0.814 98 A HN 1.620 nan 8.150 nan 0.000 0.446 99 G N -0.533 108.221 108.800 -0.076 0.000 2.408 99 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 99 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 99 G C 1.431 176.299 174.900 -0.053 0.000 1.150 99 G CA 1.109 46.187 45.100 -0.036 0.000 0.776 99 G HN 0.419 nan 8.290 nan 0.000 0.542 100 L N 1.184 122.326 121.223 -0.135 0.000 2.131 100 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 100 L C 2.798 179.602 176.870 -0.110 0.000 1.092 100 L CA 1.720 56.457 54.840 -0.173 0.000 0.759 100 L CB -0.442 41.415 42.059 -0.337 0.000 0.903 100 L HN 0.148 nan 8.230 nan 0.000 0.435 101 S N -0.402 115.258 115.700 -0.066 0.000 2.474 101 S HA -0.107 4.362 4.470 -0.000 0.000 0.235 101 S C 1.318 175.914 174.600 -0.007 0.000 0.997 101 S CA 1.135 59.327 58.200 -0.013 0.000 0.949 101 S CB -0.231 62.983 63.200 0.023 0.000 0.766 101 S HN 0.626 nan 8.310 nan 0.000 0.517 102 K N 0.313 120.706 120.400 -0.012 0.000 2.537 102 K HA 0.351 4.671 4.320 -0.000 0.000 0.206 102 K C -0.525 176.078 176.600 0.004 0.000 1.041 102 K CA -0.228 56.060 56.287 0.002 0.000 1.090 102 K CB 0.253 32.758 32.500 0.009 0.000 0.833 102 K HN -0.152 nan 8.250 nan 0.000 0.493 103 Q N 1.169 120.960 119.800 -0.014 0.000 2.475 103 Q HA -0.205 4.135 4.340 -0.000 0.000 0.280 103 Q C -1.133 174.887 176.000 0.033 0.000 1.234 103 Q CA 1.599 57.398 55.803 -0.008 0.000 0.873 103 Q CB -1.784 26.954 28.738 0.000 0.000 1.256 103 Q HN 0.660 nan 8.270 nan 0.000 0.475 104 D N -2.486 117.940 120.400 0.043 0.000 2.823 104 D HA 0.292 4.931 4.640 -0.000 0.000 0.255 104 D C -2.191 174.186 176.300 0.129 0.000 1.257 104 D CA -1.746 52.316 54.000 0.104 0.000 0.803 104 D CB 0.946 41.800 40.800 0.090 0.000 1.384 104 D HN -0.153 nan 8.370 nan 0.000 0.541 105 P HA -0.102 nan 4.420 nan 0.000 0.215 105 P C 1.124 178.622 177.300 0.330 0.000 1.157 105 P CA 1.157 64.343 63.100 0.142 0.000 0.874 105 P CB 0.065 31.779 31.700 0.024 0.000 0.790 106 W N 0.354 121.826 121.300 0.286 0.000 2.374 106 W HA -0.137 4.523 4.660 -0.000 0.000 0.288 106 W C 2.661 179.255 176.519 0.125 0.000 1.218 106 W CA 1.688 59.096 57.345 0.105 0.000 1.245 106 W CB -1.543 27.872 29.460 -0.075 0.000 1.126 106 W HN 0.002 nan 8.180 nan 0.000 0.545 107 S N -0.488 115.393 115.700 0.303 0.000 2.440 107 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 107 S C 1.241 175.894 174.600 0.088 0.000 1.010 107 S CA 1.715 60.013 58.200 0.164 0.000 0.972 107 S CB -0.458 62.806 63.200 0.108 0.000 0.774 107 S HN 0.178 nan 8.310 nan 0.000 0.501 108 D N 0.074 120.509 120.400 0.060 0.000 2.317 108 D HA 0.175 4.814 4.640 -0.000 0.000 0.211 108 D C -0.408 175.610 176.300 -0.469 0.000 0.966 108 D CA 0.653 54.517 54.000 -0.227 0.000 0.876 108 D CB 0.062 40.635 40.800 -0.380 0.000 0.927 108 D HN 0.545 nan 8.370 nan 0.000 0.519 109 Y N 0.150 120.496 120.300 0.077 0.000 2.509 109 Y HA 0.375 4.925 4.550 -0.000 0.000 0.341 109 Y C 0.332 176.282 175.900 0.082 0.000 1.038 109 Y CA -1.256 56.887 58.100 0.071 0.000 1.089 109 Y CB 1.320 39.808 38.460 0.047 0.000 1.241 109 Y HN -0.214 nan 8.280 nan 0.000 0.468 110 E N 1.327 121.657 120.200 0.216 0.000 2.277 110 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 110 E C -1.154 175.524 176.600 0.129 0.000 0.901 110 E CA -1.385 55.095 56.400 0.134 0.000 0.782 110 E CB 2.313 32.055 29.700 0.069 0.000 1.228 110 E HN 0.592 nan 8.360 nan 0.000 0.424 111 R N 2.283 122.802 120.500 0.031 0.000 2.441 111 R HA 0.435 4.775 4.340 -0.000 0.000 0.284 111 R C -0.265 175.970 176.300 -0.109 0.000 1.070 111 R CA -0.261 55.775 56.100 -0.106 0.000 1.047 111 R CB 0.439 30.419 30.300 -0.533 0.000 1.016 111 R HN 0.709 nan 8.270 nan 0.000 0.477 112 I N -0.321 120.185 120.570 -0.107 0.000 2.994 112 I HA 0.435 4.605 4.170 -0.000 0.000 0.306 112 I C -0.353 175.685 176.117 -0.132 0.000 1.195 112 I CA -1.164 60.084 61.300 -0.088 0.000 1.001 112 I CB 2.267 40.248 38.000 -0.031 0.000 1.244 112 I HN 0.686 nan 8.210 nan 0.000 0.437 113 S N 1.629 117.280 115.700 -0.083 0.000 2.624 113 S HA 0.243 4.713 4.470 -0.000 0.000 0.263 113 S C 0.274 174.842 174.600 -0.054 0.000 1.287 113 S CA -0.296 57.874 58.200 -0.050 0.000 0.990 113 S CB 0.700 63.910 63.200 0.018 0.000 0.950 113 S HN 0.874 nan 8.310 nan 0.000 0.561 114 W N 0.400 121.693 121.300 -0.012 0.000 2.388 114 W HA -0.010 4.650 4.660 -0.000 0.000 0.294 114 W C 2.240 178.721 176.519 -0.063 0.000 1.212 114 W CA 1.307 58.629 57.345 -0.038 0.000 1.271 114 W CB -0.362 29.070 29.460 -0.046 0.000 1.126 114 W HN 0.900 nan 8.180 nan 0.000 0.535 115 D N 0.121 120.634 120.400 0.188 0.000 2.117 115 D HA -0.253 4.387 4.640 -0.000 0.000 0.197 115 D C 1.935 178.271 176.300 0.060 0.000 0.987 115 D CA 1.810 55.866 54.000 0.094 0.000 0.829 115 D CB -0.174 40.670 40.800 0.072 0.000 0.961 115 D HN 0.264 nan 8.370 nan 0.000 0.460 116 E N -0.528 119.700 120.200 0.048 0.000 2.072 116 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 116 E C 1.993 178.623 176.600 0.049 0.000 0.982 116 E CA 0.908 57.331 56.400 0.039 0.000 0.803 116 E CB -0.184 29.530 29.700 0.024 0.000 0.755 116 E HN 0.271 nan 8.360 nan 0.000 0.453 117 A N 0.739 123.576 122.820 0.030 0.000 1.877 117 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 117 A C 2.485 180.127 177.584 0.098 0.000 1.186 117 A CA 2.436 54.498 52.037 0.041 0.000 0.620 117 A CB -1.295 17.658 19.000 -0.078 0.000 0.822 117 A HN 0.539 nan 8.150 nan 0.000 0.443 118 T N -2.707 111.873 114.554 0.044 0.000 2.951 118 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 118 T C 1.341 176.101 174.700 0.100 0.000 1.073 118 T CA 1.373 63.443 62.100 -0.049 0.000 1.134 118 T CB -0.362 68.269 68.868 -0.396 0.000 0.884 118 T HN 0.343 nan 8.240 nan 0.000 0.479 119 D N 1.366 121.814 120.400 0.079 0.000 2.117 119 D HA 0.057 4.696 4.640 -0.000 0.000 0.198 119 D C 2.066 178.429 176.300 0.105 0.000 0.982 119 D CA 0.756 54.810 54.000 0.090 0.000 0.828 119 D CB -0.232 40.605 40.800 0.061 0.000 0.967 119 D HN 0.432 nan 8.370 nan 0.000 0.464 120 I N 0.412 121.047 120.570 0.108 0.000 2.226 120 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 120 I C 2.398 178.551 176.117 0.059 0.000 1.100 120 I CA 0.562 61.912 61.300 0.082 0.000 1.374 120 I CB -0.074 38.013 38.000 0.146 0.000 1.057 120 I HN -0.115 nan 8.210 nan 0.000 0.413 121 V N 0.294 120.343 119.914 0.226 0.000 2.307 121 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 121 V C 2.432 178.675 176.094 0.248 0.000 1.045 121 V CA 1.438 63.920 62.300 0.303 0.000 1.024 121 V CB -0.374 31.694 31.823 0.407 0.000 0.651 121 V HN 0.223 nan 8.190 nan 0.000 0.449 122 V N 0.425 120.533 119.914 0.323 0.000 2.343 122 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 122 V C 2.725 178.908 176.094 0.149 0.000 1.051 122 V CA 2.041 64.507 62.300 0.277 0.000 1.036 122 V CB -1.143 30.848 31.823 0.281 0.000 0.654 122 V HN 0.562 nan 8.190 nan 0.000 0.451 123 A N -0.627 122.247 122.820 0.090 0.000 1.933 123 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 123 A C 2.223 179.816 177.584 0.014 0.000 1.175 123 A CA 1.682 53.743 52.037 0.041 0.000 0.628 123 A CB -0.377 18.629 19.000 0.011 0.000 0.814 123 A HN 0.521 nan 8.150 nan 0.000 0.444 124 E N -0.051 120.119 120.200 -0.050 0.000 2.047 124 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 124 E C 2.033 178.688 176.600 0.091 0.000 0.987 124 E CA 0.931 57.288 56.400 -0.071 0.000 0.799 124 E CB -0.417 29.048 29.700 -0.392 0.000 0.752 124 E HN 0.717 nan 8.360 nan 0.000 0.449 125 I N 1.892 122.548 120.570 0.143 0.000 2.163 125 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 125 I C 1.916 178.107 176.117 0.123 0.000 1.085 125 I CA 1.109 62.520 61.300 0.187 0.000 1.347 125 I CB -0.330 37.802 38.000 0.221 0.000 1.044 125 I HN 0.054 nan 8.210 nan 0.000 0.408 126 N N 0.496 119.243 118.700 0.078 0.000 2.188 126 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 126 N C 1.845 177.366 175.510 0.019 0.000 1.018 126 N CA 0.930 53.979 53.050 -0.003 0.000 0.858 126 N CB -0.449 38.033 38.487 -0.007 0.000 0.989 126 N HN 0.351 nan 8.380 nan 0.000 0.426 127 R N 1.003 121.547 120.500 0.073 0.000 2.073 127 R HA 0.029 4.369 4.340 -0.000 0.000 0.234 127 R C 2.082 178.463 176.300 0.136 0.000 1.134 127 R CA 0.985 57.144 56.100 0.100 0.000 0.952 127 R CB -0.216 30.137 30.300 0.089 0.000 0.850 127 R HN 0.141 nan 8.270 nan 0.000 0.433 128 I N 0.800 121.481 120.570 0.185 0.000 2.252 128 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 128 I C 2.243 178.510 176.117 0.251 0.000 1.102 128 I CA 1.365 62.842 61.300 0.296 0.000 1.385 128 I CB -0.202 37.992 38.000 0.323 0.000 1.064 128 I HN 0.190 nan 8.210 nan 0.000 0.414 129 K N -0.165 120.333 120.400 0.164 0.000 2.097 129 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 129 K C 1.971 178.660 176.600 0.147 0.000 1.049 129 K CA 1.447 57.811 56.287 0.128 0.000 0.933 129 K CB -0.265 32.255 32.500 0.034 0.000 0.717 129 K HN 0.486 nan 8.250 nan 0.000 0.442 130 H N -1.188 117.915 119.070 0.055 0.000 2.529 130 H HA 0.062 4.618 4.556 -0.000 0.000 0.277 130 H C 1.711 177.001 175.328 -0.062 0.000 0.999 130 H CA 0.390 56.442 56.048 0.008 0.000 1.256 130 H CB 0.422 30.189 29.762 0.009 0.000 1.402 130 H HN 0.243 nan 8.280 nan 0.000 0.566 131 A N -0.363 122.447 122.820 -0.016 0.000 2.035 131 A HA 0.032 4.352 4.320 -0.000 0.000 0.208 131 A C 0.913 178.162 177.584 -0.559 0.000 1.206 131 A CA 0.419 52.237 52.037 -0.365 0.000 0.773 131 A CB 0.162 18.805 19.000 -0.595 0.000 0.878 131 A HN 0.314 nan 8.150 nan 0.000 0.469 132 Y N -1.307 119.069 120.300 0.126 0.000 2.441 132 Y HA 0.455 5.005 4.550 -0.000 0.000 0.266 132 Y C 1.195 177.175 175.900 0.134 0.000 1.093 132 Y CA -0.151 58.021 58.100 0.121 0.000 1.246 132 Y CB 0.437 38.974 38.460 0.128 0.000 1.262 132 Y HN 0.507 nan 8.280 nan 0.000 0.518 133 G N 0.650 109.608 108.800 0.263 0.000 2.619 133 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 133 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 133 G C -2.383 172.656 174.900 0.232 0.000 1.256 133 G CA -0.689 44.545 45.100 0.223 0.000 0.826 133 G HN -0.080 nan 8.290 nan 0.000 0.619 134 P HA -0.092 nan 4.420 nan 0.000 0.219 134 P C 2.138 179.552 177.300 0.189 0.000 1.146 134 P CA 2.329 65.537 63.100 0.179 0.000 0.808 134 P CB -0.008 31.776 31.700 0.140 0.000 0.779 135 S N -0.792 115.027 115.700 0.198 0.000 2.474 135 S HA -0.026 4.444 4.470 -0.000 0.000 0.235 135 S C 1.937 176.646 174.600 0.182 0.000 0.997 135 S CA 0.853 59.140 58.200 0.145 0.000 0.949 135 S CB -1.174 62.130 63.200 0.173 0.000 0.766 135 S HN 0.119 nan 8.310 nan 0.000 0.517 136 A N 1.006 123.958 122.820 0.220 0.000 2.209 136 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 136 A C 0.935 178.647 177.584 0.212 0.000 1.158 136 A CA 0.180 52.336 52.037 0.198 0.000 0.742 136 A CB -0.509 18.624 19.000 0.222 0.000 0.790 136 A HN 0.628 nan 8.150 nan 0.000 0.472 137 I N 1.325 122.045 120.570 0.250 0.000 2.287 137 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 137 I C -0.411 175.915 176.117 0.348 0.000 1.069 137 I CA -0.567 60.923 61.300 0.316 0.000 1.237 137 I CB 0.979 39.186 38.000 0.345 0.000 1.418 137 I HN 0.168 nan 8.210 nan 0.000 0.481 138 L N 6.288 127.704 121.223 0.321 0.000 2.395 138 L HA 0.564 4.903 4.340 -0.000 0.000 0.269 138 L C 0.007 177.238 176.870 0.601 0.000 1.133 138 L CA 0.712 55.736 54.840 0.307 0.000 0.812 138 L CB 1.498 43.538 42.059 -0.032 0.000 1.125 138 L HN 0.582 nan 8.230 nan 0.000 0.452 139 S N 2.301 118.403 115.700 0.670 0.000 2.537 139 S HA 0.735 5.205 4.470 -0.000 0.000 0.271 139 S C -1.148 173.911 174.600 0.765 0.000 1.148 139 S CA -0.252 58.404 58.200 0.760 0.000 0.868 139 S CB 1.376 64.904 63.200 0.547 0.000 1.115 139 S HN 0.985 nan 8.310 nan 0.000 0.461 140 T N 4.252 119.188 114.554 0.638 0.000 3.393 140 T HA 0.570 4.920 4.350 -0.000 0.000 0.359 140 T C -2.946 171.894 174.700 0.234 0.000 1.380 140 T CA -0.831 61.547 62.100 0.463 0.000 1.132 140 T CB 1.701 70.803 68.868 0.390 0.000 1.284 140 T HN 0.455 nan 8.240 nan 0.000 0.477 141 P HA 0.612 nan 4.420 nan 0.000 0.341 141 P C -0.359 176.993 177.300 0.087 0.000 1.368 141 P CA -0.267 62.769 63.100 -0.107 0.000 0.835 141 P CB 0.938 32.208 31.700 -0.717 0.000 2.010 142 S N -2.696 113.045 115.700 0.069 0.000 2.732 142 S HA 0.361 4.831 4.470 -0.000 0.000 0.293 142 S C 1.388 175.975 174.600 -0.022 0.000 1.159 142 S CA -0.352 57.837 58.200 -0.017 0.000 0.847 142 S CB 0.689 63.873 63.200 -0.027 0.000 1.169 142 S HN 0.253 nan 8.310 nan 0.000 0.501 143 S N 0.946 116.540 115.700 -0.176 0.000 2.370 143 S HA -0.017 4.453 4.470 -0.000 0.000 0.226 143 S C 0.500 174.947 174.600 -0.255 0.000 1.033 143 S CA 1.186 59.310 58.200 -0.128 0.000 1.011 143 S CB -0.364 62.735 63.200 -0.167 0.000 0.852 143 S HN 0.610 nan 8.310 nan 0.000 0.457 144 H N -0.449 118.748 119.070 0.212 0.000 2.615 144 H HA 0.566 5.122 4.556 -0.000 0.000 0.346 144 H C -0.233 175.228 175.328 0.221 0.000 1.200 144 H CA -0.311 55.922 56.048 0.309 0.000 1.264 144 H CB 1.320 31.299 29.762 0.362 0.000 1.699 144 H HN 0.231 nan 8.280 nan 0.000 0.567 145 H N 0.734 119.892 119.070 0.145 0.000 3.014 145 H HA 0.102 4.658 4.556 -0.000 0.000 0.337 145 H C -0.593 174.770 175.328 0.059 0.000 1.320 145 H CA -0.643 55.347 56.048 -0.096 0.000 1.128 145 H CB 1.606 30.942 29.762 -0.711 0.000 1.862 145 H HN 0.390 nan 8.280 nan 0.000 0.536 146 M N 1.604 121.189 119.600 -0.025 0.000 2.250 146 M HA -0.122 4.358 4.480 -0.000 0.000 0.337 146 M C 0.749 177.321 176.300 0.455 0.000 1.161 146 M CA 0.567 56.005 55.300 0.229 0.000 1.088 146 M CB -0.210 32.451 32.600 0.100 0.000 1.639 146 M HN 0.426 nan 8.290 nan 0.000 0.447 147 W N 2.137 123.547 121.300 0.184 0.000 2.181 147 W HA 0.370 5.030 4.660 -0.000 0.000 0.335 147 W C 0.210 176.841 176.519 0.187 0.000 1.310 147 W CA 0.516 57.977 57.345 0.195 0.000 1.226 147 W CB 1.074 30.577 29.460 0.071 0.000 1.155 147 W HN 0.760 nan 8.180 nan 0.000 0.565 148 G N 3.779 112.480 108.800 -0.165 0.000 2.414 148 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.213 148 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.213 148 G C -0.108 174.726 174.900 -0.111 0.000 1.444 148 G CA -0.727 44.319 45.100 -0.089 0.000 1.076 148 G HN 0.506 nan 8.290 nan 0.000 0.638 149 N N 0.526 119.081 118.700 -0.243 0.000 2.120 149 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 149 N C 2.547 177.932 175.510 -0.208 0.000 1.024 149 N CA 1.574 54.463 53.050 -0.268 0.000 0.852 149 N CB -0.039 38.209 38.487 -0.399 0.000 1.003 149 N HN 0.451 nan 8.380 nan 0.000 0.424 150 V N 0.040 119.793 119.914 -0.268 0.000 2.427 150 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 150 V C 2.097 178.171 176.094 -0.034 0.000 1.051 150 V CA 1.951 64.142 62.300 -0.181 0.000 1.048 150 V CB -0.954 30.766 31.823 -0.170 0.000 0.666 150 V HN 0.412 nan 8.190 nan 0.000 0.456 151 G N -2.553 106.270 108.800 0.039 0.000 2.985 151 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.209 151 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.209 151 G C 0.425 175.370 174.900 0.074 0.000 1.165 151 G CA -0.246 44.938 45.100 0.139 0.000 0.776 151 G HN 0.427 nan 8.290 nan 0.000 0.541 152 Y N 1.612 121.805 120.300 -0.177 0.000 2.607 152 Y HA 0.049 4.599 4.550 -0.000 0.000 0.348 152 Y C 2.406 178.040 175.900 -0.445 0.000 1.261 152 Y CA 0.155 57.958 58.100 -0.494 0.000 1.480 152 Y CB 0.788 39.066 38.460 -0.304 0.000 1.358 152 Y HN 0.213 nan 8.280 nan 0.000 0.630 153 R N 0.635 120.691 120.500 -0.740 0.000 2.152 153 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 153 R C 0.926 176.981 176.300 -0.408 0.000 1.117 153 R CA 2.204 57.962 56.100 -0.571 0.000 0.981 153 R CB -0.698 29.128 30.300 -0.789 0.000 0.870 153 R HN 0.751 nan 8.270 nan 0.000 0.451 154 H N 0.035 119.066 119.070 -0.065 0.000 2.524 154 H HA 0.101 4.657 4.556 -0.000 0.000 0.282 154 H C 1.859 177.302 175.328 0.191 0.000 1.016 154 H CA 1.225 57.318 56.048 0.075 0.000 1.270 154 H CB 0.368 30.294 29.762 0.272 0.000 1.394 154 H HN 0.285 nan 8.280 nan 0.000 0.568 155 S N -1.200 114.636 115.700 0.227 0.000 2.650 155 S HA -0.035 4.434 4.470 -0.000 0.000 0.182 155 S C 2.101 176.790 174.600 0.148 0.000 0.832 155 S CA 0.751 59.061 58.200 0.183 0.000 0.860 155 S CB -0.370 62.904 63.200 0.125 0.000 0.818 155 S HN 0.316 nan 8.310 nan 0.000 0.600 156 T N 1.187 115.836 114.554 0.158 0.000 2.674 156 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 156 T C 1.578 176.435 174.700 0.262 0.000 1.039 156 T CA 1.874 64.155 62.100 0.302 0.000 1.150 156 T CB -0.722 68.411 68.868 0.440 0.000 0.864 156 T HN 0.520 nan 8.240 nan 0.000 0.427 157 Y N 0.939 121.233 120.300 -0.011 0.000 2.081 157 Y HA -0.194 4.356 4.550 -0.000 0.000 0.280 157 Y C 1.990 177.709 175.900 -0.301 0.000 1.163 157 Y CA 1.356 59.286 58.100 -0.284 0.000 1.135 157 Y CB -0.700 37.394 38.460 -0.610 0.000 0.970 157 Y HN 0.281 nan 8.280 nan 0.000 0.498 158 F N -0.160 119.680 119.950 -0.184 0.000 2.134 158 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 158 F C 2.815 178.468 175.800 -0.245 0.000 1.097 158 F CA 1.043 58.869 58.000 -0.290 0.000 1.264 158 F CB -0.324 38.617 39.000 -0.098 0.000 1.001 158 F HN -0.026 nan 8.300 nan 0.000 0.479 159 R N 0.113 120.690 120.500 0.129 0.000 2.103 159 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 159 R C 2.207 178.593 176.300 0.142 0.000 1.142 159 R CA 1.999 58.186 56.100 0.145 0.000 0.960 159 R CB -0.564 29.853 30.300 0.194 0.000 0.858 159 R HN 0.322 nan 8.270 nan 0.000 0.439 160 F N 0.424 120.292 119.950 -0.137 0.000 2.118 160 F HA -0.107 4.420 4.527 -0.000 0.000 0.293 160 F C 2.120 177.515 175.800 -0.676 0.000 1.102 160 F CA 1.136 58.801 58.000 -0.558 0.000 1.247 160 F CB -0.144 38.088 39.000 -1.281 0.000 1.017 160 F HN -0.070 nan 8.300 nan 0.000 0.475 161 M N 0.779 119.792 119.600 -0.978 0.000 2.149 161 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 161 M C 1.774 177.605 176.300 -0.782 0.000 1.064 161 M CA 1.620 56.169 55.300 -1.251 0.000 1.102 161 M CB -1.863 29.594 32.600 -1.904 0.000 1.369 161 M HN 0.353 nan 8.290 nan 0.000 0.408 162 N N -0.371 118.075 118.700 -0.423 0.000 2.289 162 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 162 N C 1.514 176.918 175.510 -0.176 0.000 1.016 162 N CA 0.849 53.816 53.050 -0.138 0.000 0.872 162 N CB -0.055 38.361 38.487 -0.119 0.000 0.973 162 N HN 0.364 nan 8.380 nan 0.000 0.433 163 M N -0.414 118.996 119.600 -0.316 0.000 2.502 163 M HA 0.116 4.596 4.480 -0.000 0.000 0.243 163 M C 1.666 177.755 176.300 -0.352 0.000 1.130 163 M CA 0.364 55.501 55.300 -0.271 0.000 1.055 163 M CB 0.412 32.874 32.600 -0.229 0.000 1.457 163 M HN 0.232 nan 8.290 nan 0.000 0.488 164 M N -0.892 118.407 119.600 -0.501 0.000 3.058 164 M HA 0.259 4.739 4.480 -0.000 0.000 0.242 164 M C 1.053 177.265 176.300 -0.146 0.000 1.512 164 M CA 1.136 56.183 55.300 -0.421 0.000 1.274 164 M CB -0.019 32.108 32.600 -0.788 0.000 1.179 164 M HN 0.150 nan 8.290 nan 0.000 0.573 165 G N -0.151 108.614 108.800 -0.058 0.000 3.341 165 G HA2 0.582 4.542 3.960 -0.000 0.000 0.177 165 G HA3 0.582 4.542 3.960 -0.000 0.000 0.177 165 G C -0.912 174.155 174.900 0.278 0.000 1.236 165 G CA -0.097 45.116 45.100 0.189 0.000 0.888 165 G HN 0.527 nan 8.290 nan 0.000 0.644 166 F N -3.026 116.894 119.950 -0.051 0.000 2.878 166 F HA 0.582 5.109 4.527 -0.000 0.000 0.322 166 F C -1.190 174.633 175.800 0.038 0.000 1.154 166 F CA -1.149 56.857 58.000 0.010 0.000 0.896 166 F CB 1.174 40.165 39.000 -0.015 0.000 1.313 166 F HN 0.399 nan 8.300 nan 0.000 0.451 167 T N 2.204 116.724 114.554 -0.057 0.000 2.744 167 T HA 0.282 4.631 4.350 -0.000 0.000 0.291 167 T C -1.456 173.224 174.700 -0.033 0.000 0.957 167 T CA -0.152 61.856 62.100 -0.153 0.000 1.002 167 T CB 0.224 69.095 68.868 0.004 0.000 0.919 167 T HN 0.536 nan 8.240 nan 0.000 0.468 168 Y N 2.921 123.005 120.300 -0.360 0.000 2.308 168 Y HA 0.517 5.067 4.550 -0.000 0.000 0.329 168 Y C 0.105 176.042 175.900 0.061 0.000 1.111 168 Y CA -2.004 56.078 58.100 -0.029 0.000 1.179 168 Y CB 0.725 39.120 38.460 -0.108 0.000 1.201 168 Y HN 0.666 nan 8.280 nan 0.000 0.483 169 A N 5.930 128.631 122.820 -0.199 0.000 2.923 169 A HA 0.175 4.495 4.320 -0.000 0.000 0.306 169 A C -0.154 177.080 177.584 -0.583 0.000 1.542 169 A CA -0.585 51.292 52.037 -0.267 0.000 1.225 169 A CB -0.874 18.069 19.000 -0.096 0.000 1.147 169 A HN 0.763 nan 8.150 nan 0.000 0.542 170 D N 1.456 121.559 120.400 -0.495 0.000 2.506 170 D HA -0.007 4.633 4.640 -0.000 0.000 0.234 170 D C -0.027 176.181 176.300 -0.153 0.000 1.143 170 D CA 0.711 54.421 54.000 -0.483 0.000 0.871 170 D CB 0.405 41.150 40.800 -0.092 0.000 1.190 170 D HN 0.535 nan 8.370 nan 0.000 0.459 171 H N 2.392 121.348 119.070 -0.191 0.000 2.610 171 H HA 0.119 4.675 4.556 -0.000 0.000 0.336 171 H C 0.550 176.000 175.328 0.202 0.000 1.087 171 H CA -0.497 55.539 56.048 -0.019 0.000 1.405 171 H CB 0.334 30.097 29.762 0.001 0.000 1.460 171 H HN 0.378 nan 8.280 nan 0.000 0.538 172 N N 4.036 122.944 118.700 0.347 0.000 2.482 172 N HA 0.036 4.776 4.740 -0.000 0.000 0.260 172 N C -2.516 173.252 175.510 0.429 0.000 1.236 172 N CA -1.510 51.760 53.050 0.365 0.000 0.938 172 N CB 0.847 39.512 38.487 0.296 0.000 1.128 172 N HN 0.305 nan 8.380 nan 0.000 0.448 173 P HA 0.052 nan 4.420 nan 0.000 0.230 173 P C -0.143 177.295 177.300 0.230 0.000 1.791 173 P CA -0.216 62.798 63.100 -0.143 0.000 1.020 173 P CB -0.270 30.936 31.700 -0.823 0.000 1.977 174 D N 0.288 120.842 120.400 0.258 0.000 2.154 174 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 174 D C 1.479 177.797 176.300 0.030 0.000 1.003 174 D CA 1.780 55.867 54.000 0.145 0.000 0.849 174 D CB -1.333 39.506 40.800 0.064 0.000 0.942 174 D HN 0.128 nan 8.370 nan 0.000 0.446 175 S N -0.977 114.608 115.700 -0.191 0.000 2.399 175 S HA -0.095 4.374 4.470 -0.000 0.000 0.231 175 S C 1.471 175.702 174.600 -0.616 0.000 1.022 175 S CA 1.075 58.751 58.200 -0.873 0.000 0.983 175 S CB -0.389 61.674 63.200 -1.895 0.000 0.803 175 S HN 0.478 nan 8.310 nan 0.000 0.480 176 W N 1.322 122.625 121.300 0.006 0.000 3.107 176 W HA 0.212 4.872 4.660 -0.000 0.000 0.293 176 W C 1.333 178.063 176.519 0.352 0.000 1.239 176 W CA -0.472 57.053 57.345 0.300 0.000 1.653 176 W CB -0.313 29.263 29.460 0.193 0.000 1.068 176 W HN 0.233 nan 8.180 nan 0.000 0.615 177 E N 0.831 121.321 120.200 0.483 0.000 2.627 177 E HA -0.309 4.041 4.350 -0.000 0.000 0.249 177 E C 2.142 179.071 176.600 0.548 0.000 1.012 177 E CA 2.533 59.250 56.400 0.529 0.000 1.272 177 E CB -1.441 28.490 29.700 0.384 0.000 1.200 177 E HN 0.336 nan 8.360 nan 0.000 0.495 178 G N -0.302 108.705 108.800 0.346 0.000 2.440 178 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 178 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 178 G C 1.413 176.348 174.900 0.059 0.000 1.154 178 G CA 1.041 46.222 45.100 0.135 0.000 0.767 178 G HN 0.320 nan 8.290 nan 0.000 0.552 179 W N -0.423 121.013 121.300 0.228 0.000 2.388 179 W HA 0.074 4.734 4.660 -0.000 0.000 0.294 179 W C 2.427 179.021 176.519 0.125 0.000 1.212 179 W CA 0.840 58.278 57.345 0.155 0.000 1.271 179 W CB -0.413 29.190 29.460 0.238 0.000 1.126 179 W HN 0.259 nan 8.180 nan 0.000 0.535 180 H N -1.258 117.966 119.070 0.257 0.000 2.284 180 H HA -0.149 4.407 4.556 -0.000 0.000 0.304 180 H C 1.280 176.501 175.328 -0.178 0.000 1.069 180 H CA 2.058 58.049 56.048 -0.094 0.000 1.327 180 H CB -0.808 28.771 29.762 -0.304 0.000 1.387 180 H HN 0.203 nan 8.280 nan 0.000 0.498 181 W N 0.266 121.749 121.300 0.305 0.000 2.905 181 W HA 0.205 4.865 4.660 -0.000 0.000 0.251 181 W C 2.234 178.894 176.519 0.235 0.000 1.305 181 W CA 0.535 58.033 57.345 0.255 0.000 1.465 181 W CB 0.222 29.855 29.460 0.288 0.000 1.122 181 W HN 0.301 nan 8.180 nan 0.000 0.659 182 G N -0.856 108.133 108.800 0.314 0.000 2.766 182 G HA2 0.110 4.070 3.960 -0.000 0.000 0.201 182 G HA3 0.110 4.070 3.960 -0.000 0.000 0.201 182 G C 1.604 176.529 174.900 0.043 0.000 1.177 182 G CA 0.362 45.581 45.100 0.198 0.000 0.773 182 G HN 0.160 nan 8.290 nan 0.000 0.648 183 G N 1.026 109.769 108.800 -0.095 0.000 2.450 183 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 183 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 183 G C 1.767 176.666 174.900 -0.001 0.000 1.130 183 G CA 1.244 46.227 45.100 -0.196 0.000 0.760 183 G HN 0.342 nan 8.290 nan 0.000 0.557 184 M N -0.034 119.575 119.600 0.014 0.000 2.144 184 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 184 M C 2.270 178.471 176.300 -0.165 0.000 1.067 184 M CA 1.362 56.607 55.300 -0.092 0.000 1.095 184 M CB -0.262 32.096 32.600 -0.404 0.000 1.365 184 M HN 0.332 nan 8.290 nan 0.000 0.406 185 H N -1.353 117.717 119.070 -0.001 0.000 2.524 185 H HA -0.079 4.477 4.556 -0.000 0.000 0.282 185 H C 1.855 177.184 175.328 0.001 0.000 1.016 185 H CA 1.406 57.452 56.048 -0.004 0.000 1.270 185 H CB -0.231 29.528 29.762 -0.005 0.000 1.394 185 H HN 0.524 nan 8.280 nan 0.000 0.568 186 M N 0.016 119.644 119.600 0.046 0.000 2.447 186 M HA -0.045 4.435 4.480 -0.000 0.000 0.266 186 M C 0.890 177.230 176.300 0.067 0.000 1.120 186 M CA 1.004 56.269 55.300 -0.059 0.000 1.166 186 M CB 0.458 32.861 32.600 -0.328 0.000 1.349 186 M HN 0.293 nan 8.290 nan 0.000 0.463 187 W N -0.341 120.906 121.300 -0.087 0.000 2.055 187 W HA 0.620 5.280 4.660 -0.000 0.000 0.293 187 W C 0.275 176.731 176.519 -0.105 0.000 0.886 187 W CA -0.298 56.999 57.345 -0.080 0.000 1.384 187 W CB -1.234 28.210 29.460 -0.027 0.000 1.068 187 W HN 0.440 nan 8.180 nan 0.000 0.513 188 G N 2.131 111.042 108.800 0.184 0.000 2.552 188 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 188 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 188 G C 0.366 175.109 174.900 -0.260 0.000 1.174 188 G CA 0.799 45.838 45.100 -0.103 0.000 0.955 188 G HN 0.569 nan 8.290 nan 0.000 0.546 189 F N 0.816 120.288 119.950 -0.797 0.000 3.090 189 F HA -0.232 4.295 4.527 -0.000 0.000 0.282 189 F C 2.279 177.342 175.800 -1.228 0.000 0.923 189 F CA 1.676 58.720 58.000 -1.593 0.000 0.977 189 F CB -1.816 36.467 39.000 -1.195 0.000 0.954 189 F HN 1.292 nan 8.300 nan 0.000 0.695 190 S N -0.261 115.066 115.700 -0.623 0.000 2.383 190 S HA -0.261 4.209 4.470 -0.000 0.000 0.229 190 S C 1.597 176.062 174.600 -0.225 0.000 1.030 190 S CA 1.415 59.428 58.200 -0.312 0.000 1.002 190 S CB -0.894 62.223 63.200 -0.139 0.000 0.829 190 S HN 0.733 nan 8.310 nan 0.000 0.467 191 W N 1.329 122.614 121.300 -0.026 0.000 2.611 191 W HA 0.295 4.955 4.660 -0.000 0.000 0.251 191 W C 1.747 178.257 176.519 -0.014 0.000 1.265 191 W CA 0.094 57.448 57.345 0.015 0.000 1.295 191 W CB -0.257 29.243 29.460 0.066 0.000 1.129 191 W HN 0.107 nan 8.180 nan 0.000 0.630 192 R N 0.711 120.871 120.500 -0.567 0.000 2.543 192 R HA 0.268 4.608 4.340 -0.000 0.000 0.323 192 R C 0.572 176.660 176.300 -0.354 0.000 1.002 192 R CA -0.170 55.702 56.100 -0.379 0.000 1.106 192 R CB -0.111 29.894 30.300 -0.492 0.000 1.280 192 R HN 0.188 nan 8.270 nan 0.000 0.549 193 L N 0.150 121.125 121.223 -0.413 0.000 3.717 193 L HA -0.315 4.025 4.340 -0.000 0.000 0.414 193 L C 0.796 177.582 176.870 -0.139 0.000 1.228 193 L CA 0.767 55.346 54.840 -0.436 0.000 0.918 193 L CB -1.862 39.541 42.059 -1.092 0.000 1.865 193 L HN 0.643 nan 8.230 nan 0.000 0.922 194 G N -2.349 106.392 108.800 -0.098 0.000 2.232 194 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 194 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 194 G C 0.237 175.277 174.900 0.233 0.000 0.996 194 G CA 0.177 45.408 45.100 0.218 0.000 0.626 194 G HN 0.371 nan 8.290 nan 0.000 0.509 195 N N 2.463 121.073 118.700 -0.150 0.000 2.513 195 N HA 0.507 5.246 4.740 -0.000 0.000 0.274 195 N C -2.218 172.734 175.510 -0.930 0.000 1.189 195 N CA -1.135 51.597 53.050 -0.530 0.000 0.975 195 N CB 1.412 39.568 38.487 -0.552 0.000 1.157 195 N HN 0.276 nan 8.380 nan 0.000 0.465 196 P HA 0.140 nan 4.420 nan 0.000 0.279 196 P C -0.510 176.246 177.300 -0.907 0.000 1.252 196 P CA -0.401 61.782 63.100 -1.530 0.000 0.811 196 P CB 1.002 32.158 31.700 -0.908 0.000 1.035 197 E N 1.009 120.813 120.200 -0.659 0.000 2.392 197 E HA 0.106 4.456 4.350 -0.000 0.000 0.256 197 E C 0.175 176.598 176.600 -0.294 0.000 1.145 197 E CA -0.551 55.685 56.400 -0.273 0.000 0.929 197 E CB 0.253 30.091 29.700 0.230 0.000 0.998 197 E HN 0.311 nan 8.360 nan 0.000 0.442 198 Q N 0.576 120.123 119.800 -0.423 0.000 2.064 198 Q HA 0.086 4.426 4.340 -0.000 0.000 0.213 198 Q C -0.920 174.939 176.000 -0.235 0.000 0.779 198 Q CA -0.277 55.365 55.803 -0.269 0.000 1.032 198 Q CB 0.305 28.895 28.738 -0.247 0.000 1.203 198 Q HN 0.555 nan 8.270 nan 0.000 0.457 199 Y N 2.108 122.336 120.300 -0.120 0.000 2.904 199 Y HA -0.152 4.398 4.550 -0.000 0.000 0.336 199 Y C 1.029 176.944 175.900 0.024 0.000 1.263 199 Y CA 0.571 58.608 58.100 -0.105 0.000 1.547 199 Y CB 0.219 38.587 38.460 -0.154 0.000 1.272 199 Y HN 0.156 nan 8.280 nan 0.000 0.596 200 D N 1.311 121.889 120.400 0.295 0.000 2.882 200 D HA -0.261 4.379 4.640 -0.000 0.000 0.229 200 D C 0.883 177.129 176.300 -0.089 0.000 1.167 200 D CA 0.872 54.946 54.000 0.124 0.000 0.759 200 D CB -0.914 39.988 40.800 0.170 0.000 1.088 200 D HN 0.653 nan 8.370 nan 0.000 0.425 201 L N -0.506 120.577 121.223 -0.233 0.000 2.313 201 L HA -0.083 4.257 4.340 -0.000 0.000 0.214 201 L C 2.452 178.734 176.870 -0.980 0.000 1.119 201 L CA 0.237 54.698 54.840 -0.632 0.000 0.809 201 L CB -0.113 41.395 42.059 -0.918 0.000 0.933 201 L HN 0.143 nan 8.230 nan 0.000 0.449 202 L N 0.466 121.355 121.223 -0.557 0.000 2.012 202 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 202 L C 2.436 179.102 176.870 -0.341 0.000 1.073 202 L CA 2.063 56.687 54.840 -0.359 0.000 0.748 202 L CB -0.519 41.495 42.059 -0.074 0.000 0.891 202 L HN 0.308 nan 8.230 nan 0.000 0.431 203 E N -1.075 118.970 120.200 -0.258 0.000 2.110 203 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 203 E C 1.860 178.346 176.600 -0.188 0.000 0.988 203 E CA 1.373 57.669 56.400 -0.173 0.000 0.804 203 E CB -0.176 29.459 29.700 -0.107 0.000 0.745 203 E HN 0.658 nan 8.360 nan 0.000 0.458 204 D N -0.600 119.663 120.400 -0.228 0.000 2.097 204 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 204 D C 1.893 178.093 176.300 -0.166 0.000 0.989 204 D CA 1.721 55.661 54.000 -0.100 0.000 0.827 204 D CB -0.494 40.254 40.800 -0.087 0.000 0.966 204 D HN 0.285 nan 8.370 nan 0.000 0.456 205 G N 0.135 108.582 108.800 -0.589 0.000 2.402 205 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.216 205 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.216 205 G C 1.739 176.532 174.900 -0.178 0.000 1.162 205 G CA 0.450 45.184 45.100 -0.610 0.000 0.777 205 G HN 0.332 nan 8.290 nan 0.000 0.539 206 L N -0.217 120.900 121.223 -0.178 0.000 2.131 206 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 206 L C 2.852 179.654 176.870 -0.112 0.000 1.092 206 L CA 1.153 55.906 54.840 -0.146 0.000 0.759 206 L CB -0.181 41.721 42.059 -0.261 0.000 0.903 206 L HN 0.208 nan 8.230 nan 0.000 0.435 207 K N -1.598 118.693 120.400 -0.182 0.000 2.211 207 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 207 K C 1.475 177.807 176.600 -0.447 0.000 1.052 207 K CA 0.631 56.716 56.287 -0.337 0.000 0.973 207 K CB 0.240 32.427 32.500 -0.522 0.000 0.766 207 K HN 0.384 nan 8.250 nan 0.000 0.466 208 H N -1.065 118.054 119.070 0.082 0.000 3.255 208 H HA 0.272 4.828 4.556 -0.000 0.000 0.256 208 H C 0.197 175.661 175.328 0.227 0.000 1.049 208 H CA -0.167 55.967 56.048 0.143 0.000 1.202 208 H CB 0.466 30.322 29.762 0.156 0.000 1.497 208 H HN 0.017 nan 8.280 nan 0.000 0.503 209 A N 1.527 124.560 122.820 0.355 0.000 2.511 209 A HA 0.092 4.412 4.320 -0.000 0.000 0.242 209 A C 0.801 178.540 177.584 0.260 0.000 1.069 209 A CA 0.294 52.574 52.037 0.406 0.000 0.763 209 A CB 0.471 19.638 19.000 0.278 0.000 1.001 209 A HN 0.440 nan 8.150 nan 0.000 0.498 210 E N 0.788 121.131 120.200 0.239 0.000 2.441 210 E HA 0.250 4.599 4.350 -0.000 0.000 0.212 210 E C -0.053 176.628 176.600 0.135 0.000 0.840 210 E CA 0.208 56.700 56.400 0.154 0.000 1.143 210 E CB 0.599 30.373 29.700 0.124 0.000 1.153 210 E HN 0.787 nan 8.360 nan 0.000 0.539 211 M N 1.115 120.809 119.600 0.157 0.000 2.471 211 M HA 0.418 4.898 4.480 -0.000 0.000 0.284 211 M C -2.172 174.182 176.300 0.091 0.000 1.203 211 M CA -0.415 54.951 55.300 0.110 0.000 0.915 211 M CB 2.300 34.917 32.600 0.028 0.000 1.734 211 M HN -0.136 nan 8.290 nan 0.000 0.485 212 I N 3.850 124.457 120.570 0.063 0.000 2.499 212 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 212 I C -1.054 174.825 176.117 -0.397 0.000 1.048 212 I CA -1.015 60.167 61.300 -0.197 0.000 1.062 212 I CB 2.248 40.038 38.000 -0.350 0.000 1.238 212 I HN 0.365 nan 8.210 nan 0.000 0.426 213 V N 6.736 126.326 119.914 -0.540 0.000 2.294 213 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 213 V C -0.395 175.434 176.094 -0.442 0.000 1.027 213 V CA -0.384 61.629 62.300 -0.478 0.000 0.823 213 V CB 0.402 31.876 31.823 -0.582 0.000 1.030 213 V HN 0.384 nan 8.190 nan 0.000 0.457 214 F N 4.456 124.138 119.950 -0.447 0.000 2.439 214 F HA 0.270 4.797 4.527 -0.000 0.000 0.356 214 F C 0.224 176.014 175.800 -0.018 0.000 1.161 214 F CA -0.097 57.686 58.000 -0.362 0.000 1.151 214 F CB 0.441 38.886 39.000 -0.924 0.000 1.222 214 F HN 0.487 nan 8.300 nan 0.000 0.558 215 W N 4.090 125.497 121.300 0.179 0.000 2.329 215 W HA 0.271 4.931 4.660 -0.000 0.000 0.312 215 W C 0.687 177.442 176.519 0.393 0.000 1.054 215 W CA -1.200 56.351 57.345 0.344 0.000 1.245 215 W CB 1.382 31.131 29.460 0.483 0.000 1.255 215 W HN 0.508 nan 8.180 nan 0.000 0.436 216 S N 3.524 119.578 115.700 0.589 0.000 3.682 216 S HA -0.225 4.245 4.470 -0.000 0.000 0.354 216 S C -0.293 174.483 174.600 0.293 0.000 1.034 216 S CA 1.395 59.774 58.200 0.298 0.000 1.084 216 S CB -1.234 61.918 63.200 -0.080 0.000 0.903 216 S HN 0.557 nan 8.310 nan 0.000 0.470 217 S N 0.785 116.687 115.700 0.336 0.000 2.647 217 S HA 0.578 5.048 4.470 -0.000 0.000 0.300 217 S C -1.313 173.440 174.600 0.255 0.000 1.129 217 S CA -0.441 57.934 58.200 0.293 0.000 1.029 217 S CB 1.706 65.117 63.200 0.352 0.000 1.007 217 S HN 0.409 nan 8.310 nan 0.000 0.484 218 D N 5.308 125.798 120.400 0.150 0.000 2.513 218 D HA 0.413 5.053 4.640 -0.000 0.000 0.295 218 D C -1.929 174.391 176.300 0.034 0.000 1.202 218 D CA -2.032 52.016 54.000 0.080 0.000 0.849 218 D CB 1.354 42.197 40.800 0.071 0.000 1.116 218 D HN 0.220 nan 8.370 nan 0.000 0.502 219 P HA -0.179 nan 4.420 nan 0.000 0.216 219 P C 1.296 178.589 177.300 -0.013 0.000 1.157 219 P CA 1.081 64.170 63.100 -0.019 0.000 0.880 219 P CB 0.454 32.123 31.700 -0.052 0.000 0.791 220 E N -0.946 119.252 120.200 -0.002 0.000 2.097 220 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 220 E C 1.996 178.665 176.600 0.115 0.000 1.000 220 E CA 1.558 58.013 56.400 0.091 0.000 0.804 220 E CB -1.280 28.444 29.700 0.041 0.000 0.740 220 E HN 0.298 nan 8.360 nan 0.000 0.454 221 T N 1.784 116.365 114.554 0.046 0.000 2.698 221 T HA -0.036 4.314 4.350 -0.000 0.000 0.260 221 T C 1.604 176.259 174.700 -0.074 0.000 1.044 221 T CA 1.034 63.128 62.100 -0.010 0.000 1.149 221 T CB -0.126 68.769 68.868 0.045 0.000 0.864 221 T HN 0.143 nan 8.240 nan 0.000 0.419 222 N N 1.171 119.836 118.700 -0.058 0.000 2.376 222 N HA -0.048 4.692 4.740 -0.000 0.000 0.177 222 N C 1.315 176.772 175.510 -0.089 0.000 1.024 222 N CA 1.120 54.120 53.050 -0.084 0.000 0.893 222 N CB -0.054 38.387 38.487 -0.076 0.000 0.980 222 N HN 0.534 nan 8.380 nan 0.000 0.439 223 S N -1.155 114.495 115.700 -0.083 0.000 3.358 223 S HA -0.242 4.228 4.470 -0.000 0.000 0.309 223 S C 1.115 175.668 174.600 -0.078 0.000 1.247 223 S CA 2.032 60.174 58.200 -0.096 0.000 0.961 223 S CB -1.970 61.133 63.200 -0.162 0.000 1.074 223 S HN 0.791 nan 8.310 nan 0.000 0.625 224 G N 1.078 109.851 108.800 -0.046 0.000 5.259 224 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.288 224 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.288 224 G C 0.031 174.960 174.900 0.049 0.000 1.534 224 G CA 0.096 45.175 45.100 -0.034 0.000 1.031 224 G HN 1.951 nan 8.290 nan 0.000 0.724 225 I N -1.818 118.729 120.570 -0.039 0.000 2.718 225 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 225 I C 0.543 176.583 176.117 -0.128 0.000 1.645 225 I CA -0.167 61.023 61.300 -0.183 0.000 1.030 225 I CB 0.588 38.456 38.000 -0.219 0.000 1.470 225 I HN 1.152 nan 8.210 nan 0.000 0.455 226 Y N 3.182 123.509 120.300 0.044 0.000 4.851 226 Y HA -0.323 4.227 4.550 -0.000 0.000 0.235 226 Y C 1.093 177.000 175.900 0.012 0.000 0.998 226 Y CA 0.783 58.859 58.100 -0.039 0.000 1.980 226 Y CB -1.661 36.732 38.460 -0.111 0.000 1.561 226 Y HN 0.657 nan 8.280 nan 0.000 0.585 227 A N 0.438 123.303 122.820 0.075 0.000 2.708 227 A HA 0.588 4.908 4.320 -0.000 0.000 0.293 227 A C 1.702 179.280 177.584 -0.010 0.000 1.303 227 A CA 0.801 52.830 52.037 -0.013 0.000 0.949 227 A CB -0.819 18.086 19.000 -0.158 0.000 1.121 227 A HN 1.122 nan 8.150 nan 0.000 0.542 228 G N 0.626 109.377 108.800 -0.081 0.000 2.702 228 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.342 228 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.342 228 G C 0.305 174.837 174.900 -0.613 0.000 1.258 228 G CA 1.460 46.338 45.100 -0.369 0.000 0.990 228 G HN 0.765 nan 8.290 nan 0.000 0.548 229 F N 1.471 121.416 119.950 -0.008 0.000 2.841 229 F HA 0.370 4.897 4.527 -0.000 0.000 0.358 229 F C 1.663 177.442 175.800 -0.036 0.000 1.261 229 F CA -0.094 57.878 58.000 -0.046 0.000 1.233 229 F CB 1.035 39.992 39.000 -0.071 0.000 1.008 229 F HN 0.229 nan 8.300 nan 0.000 0.507 230 E N 0.315 120.570 120.200 0.092 0.000 2.118 230 E HA -0.184 4.165 4.350 -0.000 0.000 0.195 230 E C 2.161 178.774 176.600 0.021 0.000 0.992 230 E CA 1.724 58.162 56.400 0.064 0.000 0.804 230 E CB -0.152 29.546 29.700 -0.003 0.000 0.741 230 E HN 0.418 nan 8.360 nan 0.000 0.458 231 S N 0.695 116.392 115.700 -0.005 0.000 2.593 231 S HA -0.017 4.453 4.470 -0.000 0.000 0.217 231 S C 1.549 176.094 174.600 -0.091 0.000 0.966 231 S CA 0.202 58.372 58.200 -0.050 0.000 0.914 231 S CB -0.109 63.051 63.200 -0.066 0.000 0.776 231 S HN 0.148 nan 8.310 nan 0.000 0.523 232 N N 2.527 121.194 118.700 -0.054 0.000 2.036 232 N HA -0.170 4.570 4.740 -0.000 0.000 0.195 232 N C 1.664 177.060 175.510 -0.190 0.000 1.037 232 N CA 1.898 54.893 53.050 -0.092 0.000 0.855 232 N CB -0.445 38.001 38.487 -0.069 0.000 1.033 232 N HN 0.611 nan 8.380 nan 0.000 0.423 233 I N 0.908 121.305 120.570 -0.287 0.000 2.454 233 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 233 I C 2.262 177.828 176.117 -0.918 0.000 1.156 233 I CA 0.877 61.844 61.300 -0.555 0.000 1.433 233 I CB -0.028 37.604 38.000 -0.612 0.000 1.082 233 I HN 0.179 nan 8.210 nan 0.000 0.432 234 R N 0.201 120.316 120.500 -0.642 0.000 2.075 234 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 234 R C 2.353 178.613 176.300 -0.066 0.000 1.126 234 R CA 1.219 57.100 56.100 -0.366 0.000 0.963 234 R CB -0.351 29.907 30.300 -0.069 0.000 0.858 234 R HN 0.349 nan 8.270 nan 0.000 0.435 235 R N 0.276 120.736 120.500 -0.066 0.000 2.148 235 R HA -0.113 4.226 4.340 -0.000 0.000 0.223 235 R C 2.255 178.686 176.300 0.219 0.000 1.088 235 R CA 0.992 57.153 56.100 0.101 0.000 0.985 235 R CB -0.050 30.236 30.300 -0.024 0.000 0.880 235 R HN 0.111 nan 8.270 nan 0.000 0.451 236 Q N 0.050 119.871 119.800 0.035 0.000 2.079 236 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 236 Q C 1.469 177.601 176.000 0.220 0.000 0.974 236 Q CA 1.579 57.424 55.803 0.070 0.000 0.840 236 Q CB -0.094 28.610 28.738 -0.058 0.000 0.898 236 Q HN 0.292 nan 8.270 nan 0.000 0.430 237 W N 0.358 121.741 121.300 0.139 0.000 2.355 237 W HA -0.091 4.568 4.660 -0.000 0.000 0.309 237 W C 1.980 178.548 176.519 0.081 0.000 1.206 237 W CA 0.681 58.102 57.345 0.127 0.000 1.284 237 W CB -1.113 28.307 29.460 -0.067 0.000 1.145 237 W HN 0.234 nan 8.180 nan 0.000 0.502 238 L N 0.300 121.730 121.223 0.344 0.000 2.012 238 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 238 L C 2.571 179.549 176.870 0.180 0.000 1.073 238 L CA 1.783 56.798 54.840 0.292 0.000 0.748 238 L CB -1.018 41.313 42.059 0.453 0.000 0.891 238 L HN -0.065 nan 8.230 nan 0.000 0.431 239 K N 0.149 120.643 120.400 0.157 0.000 2.063 239 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 239 K C 1.566 178.165 176.600 -0.002 0.000 1.048 239 K CA 1.858 58.085 56.287 -0.100 0.000 0.928 239 K CB -0.030 32.460 32.500 -0.017 0.000 0.713 239 K HN 0.283 nan 8.250 nan 0.000 0.442 240 D N 0.631 121.103 120.400 0.118 0.000 2.312 240 D HA -0.097 4.543 4.640 -0.000 0.000 0.211 240 D C 1.600 177.978 176.300 0.130 0.000 0.964 240 D CA 0.719 54.799 54.000 0.133 0.000 0.877 240 D CB 0.139 41.066 40.800 0.213 0.000 0.924 240 D HN 0.301 nan 8.370 nan 0.000 0.515 241 L N -0.542 120.765 121.223 0.140 0.000 2.558 241 L HA 0.149 4.489 4.340 -0.000 0.000 0.225 241 L C 1.409 178.321 176.870 0.071 0.000 1.128 241 L CA 0.377 55.293 54.840 0.128 0.000 0.868 241 L CB 0.099 42.246 42.059 0.146 0.000 1.006 241 L HN 0.103 nan 8.230 nan 0.000 0.454 242 G N -0.022 108.793 108.800 0.025 0.000 2.141 242 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 242 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 242 G C 0.138 175.018 174.900 -0.034 0.000 0.984 242 G CA -0.120 44.976 45.100 -0.007 0.000 0.660 242 G HN 0.059 nan 8.290 nan 0.000 0.525 243 V N 1.813 121.691 119.914 -0.060 0.000 2.508 243 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 243 V C 0.322 176.260 176.094 -0.259 0.000 1.041 243 V CA -0.488 61.784 62.300 -0.047 0.000 1.016 243 V CB 1.244 33.136 31.823 0.116 0.000 0.984 243 V HN 0.292 nan 8.190 nan 0.000 0.478 244 D N 4.477 124.827 120.400 -0.084 0.000 2.256 244 D HA 0.360 5.000 4.640 -0.000 0.000 0.250 244 D C -0.478 175.915 176.300 0.154 0.000 1.093 244 D CA 0.243 54.198 54.000 -0.076 0.000 0.882 244 D CB 1.204 42.013 40.800 0.015 0.000 1.185 244 D HN 0.391 nan 8.370 nan 0.000 0.437 245 F N 1.048 121.070 119.950 0.120 0.000 2.402 245 F HA 0.318 4.845 4.527 -0.000 0.000 0.355 245 F C 0.128 176.005 175.800 0.128 0.000 1.123 245 F CA -1.080 57.022 58.000 0.170 0.000 1.021 245 F CB 1.655 40.854 39.000 0.332 0.000 1.160 245 F HN -0.140 nan 8.300 nan 0.000 0.451 246 V N 4.456 124.451 119.914 0.135 0.000 2.459 246 V HA 0.376 4.495 4.120 -0.000 0.000 0.295 246 V C -0.625 175.379 176.094 -0.150 0.000 1.029 246 V CA -0.774 61.519 62.300 -0.013 0.000 0.874 246 V CB 1.657 33.354 31.823 -0.209 0.000 0.985 246 V HN 0.445 nan 8.190 nan 0.000 0.438 247 F N 4.782 124.732 119.950 -0.000 0.000 2.458 247 F HA 0.637 5.164 4.527 -0.000 0.000 0.336 247 F C 0.134 175.945 175.800 0.018 0.000 1.114 247 F CA -0.727 57.320 58.000 0.078 0.000 0.987 247 F CB 1.601 40.671 39.000 0.117 0.000 1.130 247 F HN 0.227 nan 8.300 nan 0.000 0.458 248 I N 3.602 124.227 120.570 0.092 0.000 2.420 248 I HA 0.351 4.521 4.170 -0.000 0.000 0.282 248 I C -1.192 175.031 176.117 0.175 0.000 1.019 248 I CA -0.296 60.977 61.300 -0.046 0.000 1.130 248 I CB 1.330 38.932 38.000 -0.663 0.000 1.262 248 I HN 0.468 nan 8.210 nan 0.000 0.454 249 D N 7.918 128.509 120.400 0.317 0.000 2.878 249 D HA 0.226 4.866 4.640 -0.000 0.000 0.211 249 D C -2.416 174.143 176.300 0.432 0.000 1.271 249 D CA -1.459 52.761 54.000 0.367 0.000 0.845 249 D CB 3.293 44.319 40.800 0.377 0.000 1.679 249 D HN 0.015 nan 8.370 nan 0.000 0.536 250 P HA -0.097 nan 4.420 nan 0.000 0.217 250 P C -0.041 177.538 177.300 0.465 0.000 1.148 250 P CA 1.137 64.408 63.100 0.284 0.000 0.828 250 P CB 0.028 31.848 31.700 0.201 0.000 0.783 251 H N -0.885 118.365 119.070 0.299 0.000 2.457 251 H HA 0.341 4.897 4.556 -0.000 0.000 0.335 251 H C -0.316 174.964 175.328 -0.081 0.000 1.115 251 H CA -1.127 54.981 56.048 0.100 0.000 1.219 251 H CB 0.767 30.442 29.762 -0.145 0.000 1.471 251 H HN -0.157 nan 8.280 nan 0.000 0.491 252 M N 6.154 125.177 119.600 -0.963 0.000 2.869 252 M HA -0.014 4.466 4.480 -0.000 0.000 0.299 252 M C -0.402 175.042 176.300 -1.427 0.000 1.508 252 M CA -0.403 53.906 55.300 -1.652 0.000 1.551 252 M CB -0.750 30.629 32.600 -2.036 0.000 1.384 252 M HN 0.662 nan 8.290 nan 0.000 0.491 253 N N 2.124 120.220 118.700 -1.007 0.000 2.260 253 N HA -0.067 4.673 4.740 -0.000 0.000 0.230 253 N C 0.591 175.641 175.510 -0.768 0.000 1.323 253 N CA 0.244 52.798 53.050 -0.828 0.000 0.897 253 N CB 0.260 38.553 38.487 -0.322 0.000 1.146 253 N HN 0.452 nan 8.380 nan 0.000 0.460 254 H N -1.225 117.658 119.070 -0.311 0.000 2.456 254 H HA -0.053 4.503 4.556 -0.000 0.000 0.296 254 H C 1.162 176.295 175.328 -0.325 0.000 1.079 254 H CA 1.818 57.703 56.048 -0.273 0.000 1.322 254 H CB -0.450 29.217 29.762 -0.158 0.000 1.388 254 H HN 0.636 nan 8.280 nan 0.000 0.538 255 T N 0.640 115.027 114.554 -0.280 0.000 2.857 255 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 255 T C 2.368 176.613 174.700 -0.759 0.000 1.048 255 T CA 0.933 62.809 62.100 -0.373 0.000 1.139 255 T CB -0.208 68.498 68.868 -0.271 0.000 0.874 255 T HN 0.425 nan 8.240 nan 0.000 0.455 256 A N 2.050 124.163 122.820 -1.178 0.000 1.898 256 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 256 A C 2.338 179.449 177.584 -0.788 0.000 1.181 256 A CA 1.167 52.283 52.037 -1.534 0.000 0.620 256 A CB -0.462 17.712 19.000 -1.378 0.000 0.819 256 A HN 0.395 nan 8.150 nan 0.000 0.442 257 R N -1.286 118.845 120.500 -0.615 0.000 2.152 257 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 257 R C 1.926 178.057 176.300 -0.281 0.000 1.117 257 R CA 1.300 57.153 56.100 -0.412 0.000 0.981 257 R CB -0.348 29.749 30.300 -0.337 0.000 0.870 257 R HN 0.505 nan 8.270 nan 0.000 0.451 258 L N -0.208 120.845 121.223 -0.282 0.000 2.200 258 L HA -0.016 4.324 4.340 -0.000 0.000 0.200 258 L C 1.519 178.311 176.870 -0.129 0.000 1.072 258 L CA 1.180 55.912 54.840 -0.181 0.000 0.787 258 L CB 0.552 42.513 42.059 -0.163 0.000 0.957 258 L HN 0.019 nan 8.230 nan 0.000 0.459 259 V N -3.435 116.396 119.914 -0.138 0.000 3.252 259 V HA 0.608 4.728 4.120 -0.000 0.000 0.320 259 V C 0.725 176.913 176.094 0.155 0.000 1.459 259 V CA -0.232 62.100 62.300 0.054 0.000 1.095 259 V CB -0.765 31.217 31.823 0.265 0.000 0.997 259 V HN 0.227 nan 8.190 nan 0.000 0.469 260 A N 0.666 123.439 122.820 -0.079 0.000 2.520 260 A HA 0.343 4.662 4.320 -0.000 0.000 0.245 260 A C 0.907 178.585 177.584 0.156 0.000 1.072 260 A CA 0.574 52.666 52.037 0.091 0.000 0.761 260 A CB 0.045 18.914 19.000 -0.219 0.000 1.004 260 A HN 0.457 nan 8.150 nan 0.000 0.499 261 D N 0.055 120.603 120.400 0.247 0.000 2.355 261 D HA 0.125 4.765 4.640 -0.000 0.000 0.206 261 D C 0.142 176.528 176.300 0.144 0.000 1.010 261 D CA 1.020 55.104 54.000 0.140 0.000 0.875 261 D CB 0.443 41.306 40.800 0.104 0.000 0.966 261 D HN 0.477 nan 8.370 nan 0.000 0.512 262 K N -0.226 120.292 120.400 0.197 0.000 2.572 262 K HA 0.251 4.571 4.320 -0.000 0.000 0.263 262 K C -2.417 174.334 176.600 0.252 0.000 0.932 262 K CA -0.669 55.725 56.287 0.179 0.000 0.838 262 K CB 1.418 33.968 32.500 0.082 0.000 1.366 262 K HN -0.108 nan 8.250 nan 0.000 0.425 263 W N 6.516 127.864 121.300 0.080 0.000 2.683 263 W HA 0.653 5.312 4.660 -0.000 0.000 0.329 263 W C -1.854 174.840 176.519 0.291 0.000 1.037 263 W CA -0.981 56.423 57.345 0.099 0.000 1.232 263 W CB 0.925 30.403 29.460 0.031 0.000 1.390 263 W HN 0.307 nan 8.180 nan 0.000 0.465 264 F N 4.222 123.937 119.950 -0.392 0.000 2.443 264 F HA 0.440 4.967 4.527 -0.000 0.000 0.335 264 F C 0.367 175.694 175.800 -0.788 0.000 1.104 264 F CA -1.738 55.937 58.000 -0.542 0.000 1.013 264 F CB 1.903 40.733 39.000 -0.283 0.000 1.136 264 F HN 0.287 nan 8.300 nan 0.000 0.470 265 S N 5.825 121.155 115.700 -0.618 0.000 2.269 265 S HA 0.419 4.889 4.470 -0.000 0.000 0.194 265 S C -2.742 171.754 174.600 -0.173 0.000 1.547 265 S CA -1.477 56.474 58.200 -0.416 0.000 1.186 265 S CB 0.095 62.922 63.200 -0.621 0.000 1.069 265 S HN 0.267 nan 8.310 nan 0.000 0.473 266 P HA 0.227 nan 4.420 nan 0.000 0.274 266 P C -0.585 176.719 177.300 0.006 0.000 1.231 266 P CA -0.482 62.610 63.100 -0.013 0.000 0.790 266 P CB 0.748 32.501 31.700 0.090 0.000 0.951 267 K N 1.727 122.113 120.400 -0.023 0.000 2.319 267 K HA 0.167 4.487 4.320 -0.000 0.000 0.265 267 K C 0.848 177.434 176.600 -0.024 0.000 1.000 267 K CA -0.440 55.831 56.287 -0.027 0.000 0.943 267 K CB 0.012 32.480 32.500 -0.054 0.000 0.950 267 K HN 0.496 nan 8.250 nan 0.000 0.485 268 I N -1.388 119.158 120.570 -0.040 0.000 2.815 268 I HA 0.043 4.213 4.170 -0.000 0.000 0.291 268 I C 1.012 177.001 176.117 -0.213 0.000 1.209 268 I CA 0.433 61.677 61.300 -0.094 0.000 1.431 268 I CB -0.073 37.880 38.000 -0.079 0.000 1.351 268 I HN 0.848 nan 8.210 nan 0.000 0.585 269 G N 3.379 111.852 108.800 -0.545 0.000 2.168 269 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 269 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 269 G C 0.560 175.263 174.900 -0.328 0.000 0.997 269 G CA 0.675 45.193 45.100 -0.969 0.000 0.708 269 G HN 1.363 nan 8.290 nan 0.000 0.520 270 T N -3.699 110.822 114.554 -0.055 0.000 3.145 270 T HA 0.301 4.650 4.350 -0.000 0.000 0.281 270 T C 1.227 176.185 174.700 0.430 0.000 1.003 270 T CA 0.786 63.015 62.100 0.214 0.000 0.901 270 T CB 0.358 69.268 68.868 0.071 0.000 1.112 270 T HN 0.179 nan 8.240 nan 0.000 0.535 271 D N 2.493 123.282 120.400 0.648 0.000 2.123 271 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 271 D C 1.977 178.801 176.300 0.872 0.000 0.992 271 D CA 1.729 56.227 54.000 0.829 0.000 0.833 271 D CB -0.178 41.155 40.800 0.888 0.000 0.954 271 D HN 0.707 nan 8.370 nan 0.000 0.455 272 H N 0.771 120.224 119.070 0.639 0.000 2.518 272 H HA 0.102 4.657 4.556 -0.000 0.000 0.289 272 H C 1.842 177.637 175.328 0.778 0.000 1.051 272 H CA 1.003 57.401 56.048 0.584 0.000 1.280 272 H CB -0.699 29.414 29.762 0.585 0.000 1.380 272 H HN 0.062 nan 8.280 nan 0.000 0.566 273 A N 1.986 125.109 122.820 0.505 0.000 1.898 273 A HA -0.000 4.319 4.320 -0.000 0.000 0.216 273 A C 2.752 180.549 177.584 0.355 0.000 1.181 273 A CA 1.119 53.292 52.037 0.227 0.000 0.620 273 A CB -0.731 18.037 19.000 -0.386 0.000 0.819 273 A HN 0.360 nan 8.150 nan 0.000 0.442 274 L N 0.387 121.850 121.223 0.399 0.000 2.056 274 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 274 L C 3.026 180.186 176.870 0.484 0.000 1.078 274 L CA 1.632 56.726 54.840 0.424 0.000 0.749 274 L CB -0.719 41.654 42.059 0.523 0.000 0.901 274 L HN 0.601 nan 8.230 nan 0.000 0.433 275 S N -0.292 115.726 115.700 0.529 0.000 2.383 275 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 275 S C 1.922 176.605 174.600 0.138 0.000 1.026 275 S CA 0.931 59.278 58.200 0.246 0.000 0.981 275 S CB -0.873 62.305 63.200 -0.036 0.000 0.818 275 S HN 0.299 nan 8.310 nan 0.000 0.472 276 F N 2.193 122.330 119.950 0.312 0.000 2.234 276 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 276 F C 2.837 178.696 175.800 0.099 0.000 1.087 276 F CA 0.742 58.870 58.000 0.214 0.000 1.340 276 F CB -0.365 38.773 39.000 0.230 0.000 1.031 276 F HN 0.329 nan 8.300 nan 0.000 0.500 277 A N 0.046 123.069 122.820 0.338 0.000 1.968 277 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 277 A C 2.121 179.749 177.584 0.074 0.000 1.169 277 A CA 1.085 53.244 52.037 0.204 0.000 0.638 277 A CB -0.819 18.302 19.000 0.201 0.000 0.812 277 A HN 0.388 nan 8.150 nan 0.000 0.446 278 I N -0.331 120.206 120.570 -0.055 0.000 2.252 278 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 278 I C 2.950 178.600 176.117 -0.779 0.000 1.102 278 I CA 0.999 62.035 61.300 -0.439 0.000 1.385 278 I CB -0.313 37.360 38.000 -0.545 0.000 1.064 278 I HN 0.348 nan 8.210 nan 0.000 0.414 279 A N 0.158 122.714 122.820 -0.440 0.000 1.933 279 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 279 A C 2.283 179.831 177.584 -0.061 0.000 1.175 279 A CA 1.443 53.361 52.037 -0.198 0.000 0.628 279 A CB -1.008 18.094 19.000 0.169 0.000 0.814 279 A HN 0.519 nan 8.150 nan 0.000 0.444 280 Y N 1.342 121.557 120.300 -0.143 0.000 2.128 280 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 280 Y C 2.644 178.507 175.900 -0.061 0.000 1.154 280 Y CA 2.381 60.407 58.100 -0.123 0.000 1.149 280 Y CB -0.697 37.689 38.460 -0.123 0.000 0.976 280 Y HN 0.316 nan 8.280 nan 0.000 0.505 281 T N -0.154 114.409 114.554 0.014 0.000 2.708 281 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 281 T C 1.450 176.222 174.700 0.120 0.000 1.037 281 T CA 1.724 63.837 62.100 0.022 0.000 1.146 281 T CB -0.542 68.355 68.868 0.048 0.000 0.865 281 T HN 0.471 nan 8.240 nan 0.000 0.435 282 W N 1.361 122.662 121.300 0.002 0.000 2.363 282 W HA 0.137 4.797 4.660 -0.000 0.000 0.296 282 W C 2.084 178.624 176.519 0.034 0.000 1.212 282 W CA -0.017 57.348 57.345 0.033 0.000 1.260 282 W CB -1.431 28.029 29.460 -0.001 0.000 1.131 282 W HN 0.280 nan 8.180 nan 0.000 0.530 283 L N 0.180 121.475 121.223 0.119 0.000 2.056 283 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 283 L C 2.591 179.458 176.870 -0.004 0.000 1.078 283 L CA 1.163 56.025 54.840 0.037 0.000 0.749 283 L CB -0.797 41.189 42.059 -0.121 0.000 0.901 283 L HN -0.205 nan 8.230 nan 0.000 0.433 284 K N 0.409 120.709 120.400 -0.167 0.000 2.148 284 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 284 K C 1.542 178.127 176.600 -0.024 0.000 1.050 284 K CA 1.294 57.473 56.287 -0.180 0.000 0.942 284 K CB -0.082 32.212 32.500 -0.343 0.000 0.724 284 K HN 0.440 nan 8.250 nan 0.000 0.446 285 E N 0.358 120.593 120.200 0.059 0.000 2.476 285 E HA 0.003 4.353 4.350 -0.000 0.000 0.196 285 E C -0.858 175.819 176.600 0.128 0.000 1.029 285 E CA -0.140 56.319 56.400 0.098 0.000 0.896 285 E CB 0.256 30.035 29.700 0.131 0.000 1.012 285 E HN 0.185 nan 8.360 nan 0.000 0.475 286 D N 0.779 121.290 120.400 0.184 0.000 2.737 286 D HA -0.162 4.478 4.640 -0.000 0.000 0.233 286 D C -0.519 175.869 176.300 0.146 0.000 1.155 286 D CA 1.212 55.332 54.000 0.200 0.000 0.667 286 D CB -1.298 39.545 40.800 0.073 0.000 1.060 286 D HN 0.191 nan 8.370 nan 0.000 0.427 287 S N 0.045 115.889 115.700 0.241 0.000 3.315 287 S HA 0.516 4.986 4.470 -0.000 0.000 0.195 287 S C -0.258 174.326 174.600 -0.026 0.000 1.394 287 S CA -0.850 57.394 58.200 0.073 0.000 0.983 287 S CB -0.136 63.107 63.200 0.072 0.000 1.370 287 S HN 0.457 nan 8.310 nan 0.000 0.491 288 Y N -2.191 117.983 120.300 -0.211 0.000 2.750 288 Y HA 0.594 5.144 4.550 -0.000 0.000 0.335 288 Y C -1.260 174.527 175.900 -0.188 0.000 1.252 288 Y CA -1.507 56.412 58.100 -0.302 0.000 1.064 288 Y CB 0.250 38.596 38.460 -0.190 0.000 1.321 288 Y HN 0.150 nan 8.280 nan 0.000 0.451 289 D N 1.876 122.170 120.400 -0.176 0.000 2.508 289 D HA 0.164 4.804 4.640 -0.000 0.000 0.224 289 D C 0.398 176.556 176.300 -0.237 0.000 1.171 289 D CA 0.216 54.090 54.000 -0.209 0.000 1.006 289 D CB 0.565 41.269 40.800 -0.160 0.000 1.073 289 D HN 0.705 nan 8.370 nan 0.000 0.513 290 K N 1.567 121.677 120.400 -0.483 0.000 2.063 290 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 290 K C 1.463 177.967 176.600 -0.159 0.000 1.048 290 K CA 1.158 57.194 56.287 -0.418 0.000 0.928 290 K CB 0.319 32.557 32.500 -0.436 0.000 0.713 290 K HN 0.227 nan 8.250 nan 0.000 0.442 291 E N 0.193 120.324 120.200 -0.115 0.000 2.051 291 E HA -0.207 4.142 4.350 -0.000 0.000 0.192 291 E C 1.752 178.335 176.600 -0.030 0.000 0.991 291 E CA 1.244 57.606 56.400 -0.064 0.000 0.799 291 E CB -0.417 29.250 29.700 -0.055 0.000 0.748 291 E HN 0.361 nan 8.360 nan 0.000 0.449 292 Y N 0.644 120.862 120.300 -0.137 0.000 2.128 292 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 292 Y C 2.120 177.946 175.900 -0.123 0.000 1.154 292 Y CA 1.419 59.439 58.100 -0.133 0.000 1.149 292 Y CB -0.156 38.236 38.460 -0.113 0.000 0.976 292 Y HN -0.116 nan 8.280 nan 0.000 0.505 293 V N 0.405 120.409 119.914 0.149 0.000 2.343 293 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 293 V C 2.627 178.665 176.094 -0.093 0.000 1.051 293 V CA 1.762 64.046 62.300 -0.027 0.000 1.036 293 V CB -1.492 30.166 31.823 -0.275 0.000 0.654 293 V HN 0.591 nan 8.190 nan 0.000 0.451 294 A N -0.376 122.402 122.820 -0.070 0.000 2.019 294 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 294 A C 2.273 179.832 177.584 -0.041 0.000 1.164 294 A CA 2.109 54.126 52.037 -0.034 0.000 0.644 294 A CB -0.447 18.537 19.000 -0.027 0.000 0.805 294 A HN 0.587 nan 8.150 nan 0.000 0.449 295 A N -1.015 121.742 122.820 -0.104 0.000 2.014 295 A HA 0.097 4.417 4.320 -0.000 0.000 0.210 295 A C 1.421 178.897 177.584 -0.179 0.000 1.188 295 A CA 0.818 52.770 52.037 -0.141 0.000 0.731 295 A CB 0.013 18.891 19.000 -0.203 0.000 0.858 295 A HN 0.444 nan 8.150 nan 0.000 0.464 296 N N -0.112 118.437 118.700 -0.252 0.000 2.187 296 N HA 0.360 5.100 4.740 -0.000 0.000 0.212 296 N C -0.135 175.461 175.510 0.143 0.000 1.152 296 N CA 0.697 53.627 53.050 -0.200 0.000 0.872 296 N CB 0.881 38.931 38.487 -0.728 0.000 1.025 296 N HN 0.408 nan 8.380 nan 0.000 0.514 297 A N 0.082 122.995 122.820 0.154 0.000 2.374 297 A HA 0.568 4.888 4.320 -0.000 0.000 0.317 297 A C -1.279 176.503 177.584 0.329 0.000 1.094 297 A CA -0.480 51.743 52.037 0.310 0.000 0.765 297 A CB 1.271 20.411 19.000 0.233 0.000 1.268 297 A HN 0.317 nan 8.150 nan 0.000 0.438 298 H N -0.011 119.254 119.070 0.324 0.000 2.547 298 H HA 0.511 5.067 4.556 -0.000 0.000 0.342 298 H C 0.809 176.324 175.328 0.312 0.000 1.048 298 H CA 0.596 56.800 56.048 0.260 0.000 1.204 298 H CB 1.376 31.263 29.762 0.208 0.000 1.493 298 H HN 1.656 nan 8.280 nan 0.000 0.511 299 G N 3.764 112.347 108.800 -0.362 0.000 2.143 299 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.248 299 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.248 299 G C 0.737 175.670 174.900 0.055 0.000 0.991 299 G CA 0.533 45.520 45.100 -0.189 0.000 0.689 299 G HN 0.622 nan 8.290 nan 0.000 0.522 300 F N 1.095 120.980 119.950 -0.109 0.000 2.186 300 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 300 F C 2.320 178.115 175.800 -0.009 0.000 1.090 300 F CA 2.273 60.135 58.000 -0.230 0.000 1.307 300 F CB 0.081 38.904 39.000 -0.295 0.000 1.019 300 F HN 0.286 nan 8.300 nan 0.000 0.489 301 E N 0.520 120.750 120.200 0.049 0.000 2.051 301 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 301 E C 1.978 178.545 176.600 -0.054 0.000 0.991 301 E CA 1.874 58.274 56.400 -0.000 0.000 0.799 301 E CB -0.414 29.319 29.700 0.054 0.000 0.748 301 E HN 0.452 nan 8.360 nan 0.000 0.449 302 E N -0.479 119.719 120.200 -0.002 0.000 2.106 302 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 302 E C 1.628 178.259 176.600 0.051 0.000 0.984 302 E CA 0.970 57.385 56.400 0.025 0.000 0.806 302 E CB -0.342 29.391 29.700 0.055 0.000 0.750 302 E HN 0.354 nan 8.360 nan 0.000 0.458 303 W N 1.390 122.603 121.300 -0.145 0.000 2.358 303 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 303 W C 2.315 178.723 176.519 -0.185 0.000 1.208 303 W CA 1.998 59.280 57.345 -0.105 0.000 1.274 303 W CB -0.434 28.949 29.460 -0.129 0.000 1.138 303 W HN 0.067 nan 8.180 nan 0.000 0.515 304 A N 0.182 122.764 122.820 -0.398 0.000 1.908 304 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 304 A C 1.755 179.127 177.584 -0.353 0.000 1.181 304 A CA 2.195 53.916 52.037 -0.526 0.000 0.627 304 A CB -1.059 17.651 19.000 -0.483 0.000 0.818 304 A HN 0.305 nan 8.150 nan 0.000 0.445 305 D N -1.848 118.421 120.400 -0.217 0.000 2.178 305 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 305 D C 1.628 177.806 176.300 -0.204 0.000 0.980 305 D CA 1.488 55.389 54.000 -0.164 0.000 0.842 305 D CB -0.376 40.372 40.800 -0.088 0.000 0.948 305 D HN 0.651 nan 8.370 nan 0.000 0.472 306 Y N 1.620 121.727 120.300 -0.321 0.000 2.163 306 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 306 Y C 2.200 177.807 175.900 -0.488 0.000 1.136 306 Y CA 1.107 58.989 58.100 -0.365 0.000 1.147 306 Y CB -0.369 37.881 38.460 -0.350 0.000 0.987 306 Y HN -0.222 nan 8.280 nan 0.000 0.509 307 V N 0.822 120.345 119.914 -0.652 0.000 2.407 307 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 307 V C 2.301 178.151 176.094 -0.408 0.000 1.055 307 V CA 1.940 63.855 62.300 -0.642 0.000 1.049 307 V CB -0.757 30.687 31.823 -0.631 0.000 0.662 307 V HN 0.445 nan 8.190 nan 0.000 0.455 308 L N 0.324 121.366 121.223 -0.302 0.000 2.610 308 L HA 0.179 4.518 4.340 -0.000 0.000 0.232 308 L C 1.816 178.562 176.870 -0.206 0.000 1.149 308 L CA 0.897 55.664 54.840 -0.121 0.000 0.872 308 L CB -0.669 41.304 42.059 -0.143 0.000 0.992 308 L HN 0.579 nan 8.230 nan 0.000 0.447 309 G N 0.072 108.624 108.800 -0.413 0.000 2.159 309 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 309 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 309 G C 0.985 175.711 174.900 -0.291 0.000 0.977 309 G CA 0.526 45.365 45.100 -0.435 0.000 0.652 309 G HN 0.393 nan 8.290 nan 0.000 0.531 310 K N -0.156 120.107 120.400 -0.228 0.000 2.217 310 K HA -0.011 4.309 4.320 -0.000 0.000 0.202 310 K C 2.726 179.254 176.600 -0.121 0.000 1.051 310 K CA 1.772 57.971 56.287 -0.147 0.000 0.952 310 K CB -0.159 32.274 32.500 -0.111 0.000 0.736 310 K HN 0.611 nan 8.250 nan 0.000 0.453 311 T N -0.665 113.812 114.554 -0.129 0.000 3.031 311 T HA -0.051 4.299 4.350 -0.000 0.000 0.254 311 T C 1.291 175.953 174.700 -0.064 0.000 1.060 311 T CA 0.911 62.978 62.100 -0.055 0.000 1.135 311 T CB 0.005 68.898 68.868 0.041 0.000 0.896 311 T HN 0.169 nan 8.240 nan 0.000 0.472 312 D N 0.281 120.592 120.400 -0.148 0.000 2.431 312 D HA 0.273 4.913 4.640 -0.000 0.000 0.213 312 D C 1.544 177.739 176.300 -0.175 0.000 1.130 312 D CA 0.240 54.159 54.000 -0.135 0.000 0.834 312 D CB -0.475 40.245 40.800 -0.133 0.000 0.985 312 D HN 0.549 nan 8.370 nan 0.000 0.504 313 G N -0.003 108.681 108.800 -0.193 0.000 2.166 313 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 313 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 313 G C 0.147 174.904 174.900 -0.237 0.000 0.986 313 G CA 0.677 45.671 45.100 -0.177 0.000 0.683 313 G HN 0.452 nan 8.290 nan 0.000 0.527 314 T N 2.016 116.353 114.554 -0.361 0.000 2.991 314 T HA 0.511 4.861 4.350 -0.000 0.000 0.347 314 T C -2.679 171.608 174.700 -0.688 0.000 1.122 314 T CA -0.977 60.833 62.100 -0.483 0.000 1.062 314 T CB 2.562 71.117 68.868 -0.523 0.000 1.043 314 T HN 0.033 nan 8.240 nan 0.000 0.491 315 P HA 0.148 nan 4.420 nan 0.000 0.267 315 P C -0.049 176.648 177.300 -1.005 0.000 1.205 315 P CA -0.539 62.178 63.100 -0.638 0.000 0.765 315 P CB 0.505 31.959 31.700 -0.410 0.000 0.828 316 K N 2.468 122.183 120.400 -1.143 0.000 2.737 316 K HA 0.123 4.443 4.320 -0.000 0.000 0.251 316 K C 0.595 176.659 176.600 -0.892 0.000 1.280 316 K CA 0.120 55.695 56.287 -1.188 0.000 1.219 316 K CB -1.208 30.739 32.500 -0.921 0.000 1.587 316 K HN 0.482 nan 8.250 nan 0.000 0.279 317 T N -3.278 110.785 114.554 -0.818 0.000 2.788 317 T HA 0.042 4.392 4.350 -0.000 0.000 0.287 317 T C 1.622 176.288 174.700 -0.057 0.000 1.007 317 T CA -0.598 61.172 62.100 -0.551 0.000 1.005 317 T CB 0.883 69.542 68.868 -0.349 0.000 1.012 317 T HN 0.392 nan 8.240 nan 0.000 0.530 318 C N 0.841 120.141 119.300 0.001 0.000 2.432 318 C HA 0.027 4.487 4.460 -0.000 0.000 0.280 318 C C 2.756 177.739 174.990 -0.011 0.000 1.353 318 C CA 0.470 59.506 59.018 0.030 0.000 1.766 318 C CB -1.460 26.304 27.740 0.041 0.000 1.924 318 C HN 0.976 nan 8.230 nan 0.000 0.509 319 E N -0.320 119.874 120.200 -0.010 0.000 2.072 319 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 319 E C 1.648 178.228 176.600 -0.032 0.000 0.982 319 E CA 1.029 57.411 56.400 -0.030 0.000 0.803 319 E CB -0.341 29.347 29.700 -0.021 0.000 0.755 319 E HN 0.840 nan 8.360 nan 0.000 0.453 320 W N 1.441 122.623 121.300 -0.196 0.000 2.355 320 W HA -0.156 4.504 4.660 -0.000 0.000 0.309 320 W C 2.212 178.605 176.519 -0.210 0.000 1.206 320 W CA 2.189 59.401 57.345 -0.223 0.000 1.284 320 W CB -0.456 28.819 29.460 -0.307 0.000 1.145 320 W HN 0.044 nan 8.180 nan 0.000 0.502 321 A N 0.221 122.877 122.820 -0.274 0.000 1.933 321 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 321 A C 2.025 179.372 177.584 -0.395 0.000 1.175 321 A CA 1.978 53.718 52.037 -0.496 0.000 0.628 321 A CB -1.114 17.827 19.000 -0.098 0.000 0.814 321 A HN 0.570 nan 8.150 nan 0.000 0.444 322 E N -0.363 119.683 120.200 -0.257 0.000 2.077 322 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 322 E C 2.000 178.452 176.600 -0.247 0.000 0.989 322 E CA 1.308 57.575 56.400 -0.222 0.000 0.800 322 E CB -0.161 29.441 29.700 -0.163 0.000 0.746 322 E HN 0.760 nan 8.360 nan 0.000 0.452 323 E N -0.160 119.871 120.200 -0.280 0.000 2.153 323 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 323 E C 1.851 178.265 176.600 -0.311 0.000 0.988 323 E CA 1.072 57.315 56.400 -0.262 0.000 0.811 323 E CB 0.203 29.759 29.700 -0.241 0.000 0.746 323 E HN 0.242 nan 8.360 nan 0.000 0.466 324 E N -0.080 119.845 120.200 -0.458 0.000 2.033 324 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 324 E C 2.250 178.709 176.600 -0.236 0.000 0.979 324 E CA 1.424 57.590 56.400 -0.391 0.000 0.802 324 E CB -0.127 29.203 29.700 -0.617 0.000 0.763 324 E HN 0.280 nan 8.360 nan 0.000 0.449 325 S N -1.225 114.336 115.700 -0.231 0.000 2.470 325 S HA 0.202 4.672 4.470 -0.000 0.000 0.222 325 S C 1.681 176.195 174.600 -0.144 0.000 1.024 325 S CA 0.872 58.988 58.200 -0.140 0.000 0.931 325 S CB 0.634 63.776 63.200 -0.097 0.000 0.791 325 S HN 0.326 nan 8.310 nan 0.000 0.513 326 G N 0.469 109.165 108.800 -0.173 0.000 2.175 326 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 326 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 326 G C 0.023 174.802 174.900 -0.200 0.000 0.982 326 G CA 0.029 45.030 45.100 -0.164 0.000 0.641 326 G HN 0.713 nan 8.290 nan 0.000 0.527 327 V N 2.348 122.120 119.914 -0.237 0.000 2.461 327 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 327 V C -1.517 174.389 176.094 -0.313 0.000 1.047 327 V CA -1.473 60.621 62.300 -0.342 0.000 0.955 327 V CB 1.379 32.942 31.823 -0.433 0.000 0.988 327 V HN 0.096 nan 8.190 nan 0.000 0.471 328 P HA -0.007 nan 4.420 nan 0.000 0.261 328 P C 0.619 177.798 177.300 -0.202 0.000 1.173 328 P CA 0.394 63.362 63.100 -0.220 0.000 0.760 328 P CB 0.654 32.237 31.700 -0.195 0.000 0.783 329 A N 3.869 126.612 122.820 -0.130 0.000 1.940 329 A HA -0.260 4.059 4.320 -0.000 0.000 0.219 329 A C 2.192 179.747 177.584 -0.048 0.000 1.176 329 A CA 2.070 54.057 52.037 -0.082 0.000 0.631 329 A CB -1.799 17.170 19.000 -0.052 0.000 0.814 329 A HN 0.758 nan 8.150 nan 0.000 0.446 330 C N -0.706 118.569 119.300 -0.042 0.000 2.425 330 C HA -0.068 4.391 4.460 -0.000 0.000 0.277 330 C C 2.246 177.245 174.990 0.015 0.000 1.280 330 C CA 1.086 60.102 59.018 -0.002 0.000 1.744 330 C CB -1.529 26.211 27.740 -0.000 0.000 1.989 330 C HN 0.659 nan 8.230 nan 0.000 0.491 331 E N 1.187 121.362 120.200 -0.043 0.000 2.107 331 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 331 E C 2.143 178.794 176.600 0.085 0.000 0.982 331 E CA 1.177 57.582 56.400 0.008 0.000 0.809 331 E CB -0.186 29.406 29.700 -0.181 0.000 0.756 331 E HN 0.721 nan 8.360 nan 0.000 0.459 332 I N 0.963 121.502 120.570 -0.052 0.000 2.179 332 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 332 I C 2.773 178.983 176.117 0.155 0.000 1.088 332 I CA 1.114 62.455 61.300 0.069 0.000 1.357 332 I CB -0.252 37.746 38.000 -0.003 0.000 1.051 332 I HN 0.016 nan 8.210 nan 0.000 0.409 333 R N 1.168 121.734 120.500 0.110 0.000 2.096 333 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 333 R C 2.363 178.770 176.300 0.179 0.000 1.127 333 R CA 1.521 57.702 56.100 0.134 0.000 0.968 333 R CB -0.217 30.147 30.300 0.106 0.000 0.861 333 R HN 0.365 nan 8.270 nan 0.000 0.440 334 A N 1.032 123.958 122.820 0.177 0.000 1.902 334 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 334 A C 2.001 179.738 177.584 0.255 0.000 1.181 334 A CA 1.214 53.368 52.037 0.195 0.000 0.623 334 A CB -0.562 18.543 19.000 0.175 0.000 0.818 334 A HN 0.387 nan 8.150 nan 0.000 0.443 335 L N -0.161 121.249 121.223 0.311 0.000 2.017 335 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 335 L C 2.657 179.809 176.870 0.470 0.000 1.073 335 L CA 2.226 57.285 54.840 0.364 0.000 0.745 335 L CB -1.010 41.297 42.059 0.413 0.000 0.894 335 L HN 0.342 nan 8.230 nan 0.000 0.432 336 A N -0.104 122.957 122.820 0.402 0.000 1.873 336 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 336 A C 2.432 180.394 177.584 0.630 0.000 1.193 336 A CA 2.241 54.531 52.037 0.421 0.000 0.629 336 A CB -0.662 18.407 19.000 0.115 0.000 0.826 336 A HN 0.538 nan 8.150 nan 0.000 0.447 337 R N -1.363 119.388 120.500 0.419 0.000 2.081 337 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 337 R C 2.523 179.019 176.300 0.327 0.000 1.131 337 R CA 1.676 57.986 56.100 0.351 0.000 0.960 337 R CB -0.279 30.164 30.300 0.238 0.000 0.856 337 R HN 0.660 nan 8.270 nan 0.000 0.436 338 Q N -0.019 119.976 119.800 0.325 0.000 2.079 338 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 338 Q C 1.648 177.854 176.000 0.343 0.000 0.974 338 Q CA 1.295 57.261 55.803 0.270 0.000 0.840 338 Q CB -0.246 28.625 28.738 0.221 0.000 0.898 338 Q HN 0.394 nan 8.270 nan 0.000 0.430 339 W N 0.506 121.958 121.300 0.253 0.000 2.338 339 W HA -0.137 4.523 4.660 -0.000 0.000 0.304 339 W C 1.923 178.524 176.519 0.138 0.000 1.212 339 W CA 2.145 59.655 57.345 0.274 0.000 1.264 339 W CB -0.886 28.887 29.460 0.522 0.000 1.142 339 W HN 0.289 nan 8.180 nan 0.000 0.512 340 A N 0.996 124.055 122.820 0.398 0.000 1.930 340 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 340 A C 2.038 179.630 177.584 0.014 0.000 1.175 340 A CA 2.323 54.333 52.037 -0.046 0.000 0.627 340 A CB -0.744 18.155 19.000 -0.168 0.000 0.815 340 A HN 0.479 nan 8.150 nan 0.000 0.443 341 K N -1.512 118.949 120.400 0.102 0.000 2.361 341 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 341 K C 0.062 176.705 176.600 0.070 0.000 1.039 341 K CA 0.211 56.540 56.287 0.069 0.000 1.001 341 K CB 0.196 32.745 32.500 0.081 0.000 0.795 341 K HN 0.060 nan 8.250 nan 0.000 0.495 342 K N 1.586 122.047 120.400 0.101 0.000 2.166 342 K HA 0.239 4.559 4.320 -0.000 0.000 0.245 342 K C -0.733 175.908 176.600 0.069 0.000 0.967 342 K CA -0.942 55.397 56.287 0.086 0.000 0.863 342 K CB 1.005 33.563 32.500 0.097 0.000 1.107 342 K HN -0.060 nan 8.250 nan 0.000 0.436 343 N N 1.595 120.333 118.700 0.063 0.000 2.400 343 N HA 0.080 4.819 4.740 -0.000 0.000 0.267 343 N C -0.856 174.674 175.510 0.034 0.000 1.208 343 N CA 0.390 53.458 53.050 0.029 0.000 0.951 343 N CB 0.182 38.726 38.487 0.095 0.000 1.227 343 N HN 0.281 nan 8.380 nan 0.000 0.488 344 T N 2.579 117.101 114.554 -0.053 0.000 2.807 344 T HA 0.361 4.711 4.350 -0.000 0.000 0.279 344 T C -0.397 174.184 174.700 -0.199 0.000 0.993 344 T CA -0.372 61.667 62.100 -0.102 0.000 0.970 344 T CB 0.564 69.272 68.868 -0.267 0.000 0.950 344 T HN 0.183 nan 8.240 nan 0.000 0.441 345 Y N 1.872 122.136 120.300 -0.060 0.000 2.342 345 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 345 Y C -0.062 175.752 175.900 -0.143 0.000 1.067 345 Y CA -1.342 56.761 58.100 0.006 0.000 1.128 345 Y CB 1.132 39.687 38.460 0.158 0.000 1.200 345 Y HN 0.398 nan 8.280 nan 0.000 0.464 346 L N 3.729 125.011 121.223 0.098 0.000 2.255 346 L HA 0.635 4.975 4.340 -0.000 0.000 0.289 346 L C -0.025 176.850 176.870 0.009 0.000 1.046 346 L CA -0.618 54.254 54.840 0.055 0.000 0.816 346 L CB 0.306 42.541 42.059 0.293 0.000 1.197 346 L HN 0.698 nan 8.230 nan 0.000 0.427 347 A N 5.537 128.243 122.820 -0.190 0.000 3.015 347 A HA 0.701 5.021 4.320 -0.000 0.000 0.293 347 A C 0.447 178.058 177.584 0.044 0.000 1.572 347 A CA -0.052 51.833 52.037 -0.252 0.000 1.274 347 A CB -0.657 17.856 19.000 -0.812 0.000 1.156 347 A HN 0.915 nan 8.150 nan 0.000 0.562 348 A N 1.630 124.547 122.820 0.163 0.000 2.350 348 A HA 0.635 4.955 4.320 -0.000 0.000 0.293 348 A C 1.020 178.842 177.584 0.396 0.000 1.231 348 A CA 0.512 52.778 52.037 0.381 0.000 0.883 348 A CB -0.662 18.498 19.000 0.266 0.000 1.133 348 A HN 2.536 nan 8.150 nan 0.000 0.533 349 G N 1.469 110.586 108.800 0.527 0.000 2.758 349 G HA2 0.185 4.144 3.960 -0.000 0.000 0.686 349 G HA3 0.185 4.144 3.960 -0.000 0.000 0.686 349 G C 0.835 175.850 174.900 0.192 0.000 1.389 349 G CA -0.131 45.201 45.100 0.387 0.000 0.845 349 G HN 1.687 nan 8.290 nan 0.000 0.572 350 G N -0.954 107.939 108.800 0.154 0.000 2.511 350 G HA2 0.286 4.246 3.960 -0.000 0.000 0.217 350 G HA3 0.286 4.246 3.960 -0.000 0.000 0.217 350 G C 1.696 176.580 174.900 -0.026 0.000 1.133 350 G CA 1.666 46.810 45.100 0.074 0.000 0.792 350 G HN 1.281 nan 8.290 nan 0.000 0.539 351 L N -0.200 120.972 121.223 -0.085 0.000 2.408 351 L HA 0.492 4.832 4.340 -0.000 0.000 0.215 351 L C 1.152 177.811 176.870 -0.352 0.000 1.081 351 L CA 1.442 56.095 54.840 -0.310 0.000 0.840 351 L CB 0.354 41.976 42.059 -0.728 0.000 1.002 351 L HN 0.298 nan 8.230 nan 0.000 0.468 352 G N -0.702 107.916 108.800 -0.303 0.000 2.859 352 G HA2 0.426 4.385 3.960 -0.000 0.000 0.251 352 G HA3 0.426 4.385 3.960 -0.000 0.000 0.251 352 G C 0.224 174.818 174.900 -0.511 0.000 0.978 352 G CA -0.321 44.601 45.100 -0.296 0.000 1.270 352 G HN 1.085 nan 8.290 nan 0.000 0.601 353 G N -0.086 108.399 108.800 -0.525 0.000 2.384 353 G HA2 0.479 4.439 3.960 -0.000 0.000 0.668 353 G HA3 0.479 4.439 3.960 -0.000 0.000 0.668 353 G C 0.290 174.953 174.900 -0.395 0.000 1.280 353 G CA 0.487 44.948 45.100 -1.066 0.000 0.992 353 G HN 2.021 nan 8.290 nan 0.000 0.512 354 W N -1.979 118.995 121.300 -0.544 0.000 3.427 354 W HA 0.345 5.005 4.660 -0.000 0.000 0.319 354 W C 1.247 178.020 176.519 0.423 0.000 0.165 354 W CA 2.059 59.389 57.345 -0.024 0.000 0.459 354 W CB -1.483 27.834 29.460 -0.238 0.000 1.886 354 W HN 3.047 nan 8.180 nan 0.000 0.425 355 G N -1.108 107.947 108.800 0.424 0.000 2.885 355 G HA2 0.485 4.445 3.960 -0.000 0.000 0.685 355 G HA3 0.485 4.445 3.960 -0.000 0.000 0.685 355 G C 0.406 175.317 174.900 0.018 0.000 1.216 355 G CA 0.533 45.780 45.100 0.245 0.000 0.790 355 G HN 1.756 nan 8.290 nan 0.000 0.631 356 G N 0.661 109.416 108.800 -0.075 0.000 2.450 356 G HA2 0.200 4.160 3.960 -0.000 0.000 0.220 356 G HA3 0.200 4.160 3.960 -0.000 0.000 0.220 356 G C 2.077 176.891 174.900 -0.143 0.000 1.130 356 G CA 2.481 47.538 45.100 -0.071 0.000 0.760 356 G HN 2.063 nan 8.290 nan 0.000 0.557 357 A N 0.396 122.978 122.820 -0.396 0.000 2.019 357 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 357 A C 2.620 179.922 177.584 -0.470 0.000 1.164 357 A CA 1.938 53.587 52.037 -0.646 0.000 0.644 357 A CB -1.012 17.031 19.000 -1.595 0.000 0.805 357 A HN 0.973 nan 8.150 nan 0.000 0.449 358 C N -0.121 119.087 119.300 -0.153 0.000 2.448 358 C HA 0.169 4.629 4.460 -0.000 0.000 0.280 358 C C 1.549 176.588 174.990 0.082 0.000 1.398 358 C CA 0.308 59.402 59.018 0.126 0.000 1.774 358 C CB -1.152 26.857 27.740 0.447 0.000 1.888 358 C HN 0.608 nan 8.230 nan 0.000 0.519 359 R N 1.007 121.534 120.500 0.045 0.000 3.301 359 R HA 0.733 5.073 4.340 -0.000 0.000 0.286 359 R C -0.434 175.880 176.300 0.022 0.000 1.386 359 R CA 0.289 56.430 56.100 0.069 0.000 1.607 359 R CB 0.150 30.502 30.300 0.087 0.000 1.305 359 R HN 0.460 nan 8.270 nan 0.000 0.637 360 A N 0.570 123.384 122.820 -0.010 0.000 2.583 360 A HA 0.394 4.713 4.320 -0.000 0.000 0.289 360 A C 0.678 178.205 177.584 -0.095 0.000 1.151 360 A CA -0.403 51.621 52.037 -0.022 0.000 0.695 360 A CB 1.266 20.332 19.000 0.111 0.000 1.290 360 A HN 0.411 nan 8.150 nan 0.000 0.419 361 S N 0.135 115.645 115.700 -0.316 0.000 2.442 361 S HA -0.190 4.280 4.470 -0.000 0.000 0.236 361 S C 1.084 175.525 174.600 -0.265 0.000 1.007 361 S CA 1.860 59.640 58.200 -0.701 0.000 0.965 361 S CB -0.577 61.630 63.200 -1.654 0.000 0.773 361 S HN 1.149 nan 8.310 nan 0.000 0.504 362 H N -0.432 118.468 119.070 -0.283 0.000 2.542 362 H HA 0.463 5.019 4.556 -0.000 0.000 0.283 362 H C 1.614 176.838 175.328 -0.174 0.000 1.059 362 H CA -0.035 55.857 56.048 -0.261 0.000 1.162 362 H CB -1.009 28.575 29.762 -0.298 0.000 1.539 362 H HN 0.340 nan 8.280 nan 0.000 0.543 363 G N 1.829 110.454 108.800 -0.291 0.000 2.469 363 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 363 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 363 G C 1.668 176.477 174.900 -0.152 0.000 1.150 363 G CA 1.156 46.120 45.100 -0.228 0.000 0.763 363 G HN 0.433 nan 8.290 nan 0.000 0.561 364 I N 0.442 120.965 120.570 -0.077 0.000 2.226 364 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 364 I C 2.601 178.624 176.117 -0.158 0.000 1.100 364 I CA 1.055 62.318 61.300 -0.061 0.000 1.374 364 I CB -0.111 37.929 38.000 0.065 0.000 1.057 364 I HN 0.093 nan 8.210 nan 0.000 0.413 365 E N -0.312 119.815 120.200 -0.122 0.000 2.216 365 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 365 E C 1.643 178.147 176.600 -0.161 0.000 0.988 365 E CA 0.743 57.122 56.400 -0.034 0.000 0.834 365 E CB -0.350 29.398 29.700 0.079 0.000 0.772 365 E HN 0.593 nan 8.360 nan 0.000 0.479 366 W N 2.079 123.111 121.300 -0.446 0.000 2.379 366 W HA -0.087 4.572 4.660 -0.000 0.000 0.307 366 W C 2.333 178.454 176.519 -0.664 0.000 1.200 366 W CA 2.218 59.275 57.345 -0.480 0.000 1.297 366 W CB -0.466 28.654 29.460 -0.566 0.000 1.140 366 W HN 0.034 nan 8.180 nan 0.000 0.507 367 A N 0.896 123.129 122.820 -0.977 0.000 1.877 367 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 367 A C 2.092 178.862 177.584 -1.356 0.000 1.186 367 A CA 1.896 52.932 52.037 -1.667 0.000 0.620 367 A CB -0.822 17.244 19.000 -1.558 0.000 0.822 367 A HN 0.388 nan 8.150 nan 0.000 0.443 368 R N -0.998 118.905 120.500 -0.995 0.000 2.115 368 R HA -0.087 4.252 4.340 -0.000 0.000 0.230 368 R C 2.319 177.865 176.300 -1.256 0.000 1.111 368 R CA 0.954 56.407 56.100 -1.078 0.000 0.976 368 R CB -0.490 29.229 30.300 -0.969 0.000 0.870 368 R HN 0.553 nan 8.270 nan 0.000 0.445 369 G N 0.791 108.955 108.800 -1.060 0.000 2.408 369 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 369 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 369 G C 1.416 175.895 174.900 -0.702 0.000 1.150 369 G CA 0.269 44.947 45.100 -0.703 0.000 0.776 369 G HN 0.055 nan 8.290 nan 0.000 0.542 370 M N 0.402 119.429 119.600 -0.954 0.000 2.159 370 M HA 0.109 4.589 4.480 -0.000 0.000 0.263 370 M C 2.570 178.566 176.300 -0.506 0.000 1.063 370 M CA 0.855 55.708 55.300 -0.744 0.000 1.110 370 M CB -0.928 31.115 32.600 -0.928 0.000 1.374 370 M HN 0.233 nan 8.290 nan 0.000 0.411 371 I N -0.002 120.133 120.570 -0.725 0.000 2.252 371 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 371 I C 2.611 178.438 176.117 -0.483 0.000 1.102 371 I CA 0.973 61.843 61.300 -0.716 0.000 1.385 371 I CB -0.577 36.751 38.000 -1.120 0.000 1.064 371 I HN 0.193 nan 8.210 nan 0.000 0.414 372 A N 0.861 123.342 122.820 -0.565 0.000 1.883 372 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 372 A C 2.167 179.758 177.584 0.012 0.000 1.186 372 A CA 1.560 53.391 52.037 -0.344 0.000 0.624 372 A CB -0.731 18.057 19.000 -0.352 0.000 0.822 372 A HN 0.276 nan 8.150 nan 0.000 0.444 373 L N -0.462 120.740 121.223 -0.035 0.000 2.027 373 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 373 L C 2.985 179.972 176.870 0.195 0.000 1.074 373 L CA 1.963 56.870 54.840 0.111 0.000 0.745 373 L CB -1.100 40.909 42.059 -0.083 0.000 0.898 373 L HN 0.399 nan 8.230 nan 0.000 0.433 374 A N -1.839 121.060 122.820 0.130 0.000 1.972 374 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 374 A C 2.330 179.962 177.584 0.080 0.000 1.169 374 A CA 2.170 54.302 52.037 0.158 0.000 0.635 374 A CB -0.883 18.207 19.000 0.150 0.000 0.810 374 A HN 0.445 nan 8.150 nan 0.000 0.446 375 T N -0.064 114.552 114.554 0.102 0.000 2.812 375 T HA -0.085 4.265 4.350 -0.000 0.000 0.264 375 T C 1.905 176.649 174.700 0.072 0.000 1.042 375 T CA 1.615 63.816 62.100 0.170 0.000 1.140 375 T CB -0.284 68.757 68.868 0.288 0.000 0.870 375 T HN 0.439 nan 8.240 nan 0.000 0.445 376 M N 0.823 120.510 119.600 0.145 0.000 2.279 376 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 376 M C 1.847 178.110 176.300 -0.063 0.000 1.062 376 M CA 1.130 56.507 55.300 0.128 0.000 1.099 376 M CB -0.133 32.639 32.600 0.287 0.000 1.394 376 M HN 0.064 nan 8.290 nan 0.000 0.426 377 Q N -0.171 119.520 119.800 -0.183 0.000 2.320 377 Q HA 0.182 4.522 4.340 -0.000 0.000 0.201 377 Q C 0.712 176.490 176.000 -0.371 0.000 0.910 377 Q CA 0.456 56.085 55.803 -0.290 0.000 0.946 377 Q CB 0.482 29.103 28.738 -0.195 0.000 1.062 377 Q HN 0.651 nan 8.270 nan 0.000 0.503 378 G N 2.684 111.078 108.800 -0.677 0.000 2.326 378 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.286 378 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.286 378 G C 0.252 174.723 174.900 -0.715 0.000 1.096 378 G CA 0.411 44.721 45.100 -1.316 0.000 1.003 378 G HN 0.425 nan 8.290 nan 0.000 0.503 379 M N -0.934 118.432 119.600 -0.390 0.000 2.248 379 M HA 0.437 4.917 4.480 -0.000 0.000 0.343 379 M C 1.485 177.832 176.300 0.078 0.000 1.243 379 M CA 1.443 56.713 55.300 -0.049 0.000 1.025 379 M CB 0.652 33.325 32.600 0.122 0.000 1.759 379 M HN 1.672 nan 8.290 nan 0.000 0.452 380 G N 2.220 111.049 108.800 0.048 0.000 2.307 380 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.210 380 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.210 380 G C -0.009 174.909 174.900 0.030 0.000 1.005 380 G CA 0.117 45.258 45.100 0.070 0.000 0.634 380 G HN 1.032 nan 8.290 nan 0.000 0.496 381 K N 1.183 121.575 120.400 -0.012 0.000 2.126 381 K HA 0.609 4.929 4.320 -0.000 0.000 0.257 381 K C -2.861 173.678 176.600 -0.102 0.000 1.007 381 K CA -1.731 54.527 56.287 -0.047 0.000 0.928 381 K CB 1.176 33.639 32.500 -0.062 0.000 1.013 381 K HN 0.033 nan 8.250 nan 0.000 0.473 382 P HA -0.024 nan 4.420 nan 0.000 0.261 382 P C 0.366 177.489 177.300 -0.295 0.000 1.183 382 P CA 1.234 64.165 63.100 -0.283 0.000 0.761 382 P CB 0.486 31.879 31.700 -0.511 0.000 0.785 383 G N 1.810 110.531 108.800 -0.132 0.000 2.176 383 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 383 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 383 G C 0.210 174.828 174.900 -0.470 0.000 0.979 383 G CA 0.165 45.201 45.100 -0.107 0.000 0.641 383 G HN 0.790 nan 8.290 nan 0.000 0.530 384 S N -0.135 115.256 115.700 -0.516 0.000 2.720 384 S HA 0.673 5.143 4.470 -0.000 0.000 0.278 384 S C -0.893 173.496 174.600 -0.352 0.000 1.172 384 S CA -0.041 57.866 58.200 -0.488 0.000 1.019 384 S CB 1.165 64.209 63.200 -0.261 0.000 1.049 384 S HN 0.721 nan 8.310 nan 0.000 0.483 385 N N 2.535 121.035 118.700 -0.333 0.000 3.355 385 N HA 0.281 5.021 4.740 -0.000 0.000 0.238 385 N C -1.836 173.770 175.510 0.161 0.000 1.466 385 N CA -0.529 52.521 53.050 -0.001 0.000 0.882 385 N CB 1.462 40.020 38.487 0.119 0.000 1.406 385 N HN 0.674 nan 8.380 nan 0.000 0.500 386 M N 1.573 121.299 119.600 0.210 0.000 2.080 386 M HA 0.396 4.875 4.480 -0.000 0.000 0.350 386 M C -1.617 174.857 176.300 0.291 0.000 1.173 386 M CA -0.432 54.999 55.300 0.220 0.000 1.052 386 M CB 0.525 33.234 32.600 0.181 0.000 1.577 386 M HN 0.515 nan 8.290 nan 0.000 0.455 387 W N 3.400 124.730 121.300 0.051 0.000 3.405 387 W HA 0.382 5.042 4.660 -0.000 0.000 0.329 387 W C -1.066 175.371 176.519 -0.136 0.000 1.142 387 W CA -0.603 56.720 57.345 -0.036 0.000 1.235 387 W CB 1.598 31.060 29.460 0.003 0.000 1.341 387 W HN 0.527 nan 8.180 nan 0.000 0.481 388 S N 2.299 117.727 115.700 -0.454 0.000 2.577 388 S HA 0.031 4.501 4.470 -0.000 0.000 0.219 388 S C 1.403 175.540 174.600 -0.771 0.000 0.962 388 S CA 0.843 58.728 58.200 -0.526 0.000 0.921 388 S CB -0.019 63.039 63.200 -0.237 0.000 0.789 388 S HN 1.023 nan 8.310 nan 0.000 0.497 389 T N -1.094 112.475 114.554 -1.641 0.000 7.578 389 T HA -0.292 4.058 4.350 -0.000 0.000 0.299 389 T C 1.145 175.535 174.700 -0.516 0.000 2.097 389 T CA 2.056 63.255 62.100 -1.501 0.000 3.248 389 T CB -2.680 65.591 68.868 -0.995 0.000 2.014 389 T HN 0.572 nan 8.240 nan 0.000 1.198 390 T N -2.337 112.011 114.554 -0.343 0.000 3.031 390 T HA 0.331 4.681 4.350 -0.000 0.000 0.254 390 T C 0.975 175.635 174.700 -0.067 0.000 1.060 390 T CA 0.471 62.477 62.100 -0.157 0.000 1.135 390 T CB 0.197 68.975 68.868 -0.150 0.000 0.896 390 T HN 0.799 nan 8.240 nan 0.000 0.472 391 Q N -0.057 119.736 119.800 -0.012 0.000 2.527 391 Q HA 0.559 4.899 4.340 -0.000 0.000 0.220 391 Q C 0.783 176.897 176.000 0.191 0.000 1.014 391 Q CA -0.484 55.328 55.803 0.014 0.000 0.978 391 Q CB 1.093 29.758 28.738 -0.121 0.000 1.245 391 Q HN 0.413 nan 8.270 nan 0.000 0.513 392 G N -0.570 108.260 108.800 0.050 0.000 2.157 392 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 392 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 392 G C -0.018 174.884 174.900 0.003 0.000 0.979 392 G CA 0.052 45.172 45.100 0.033 0.000 0.650 392 G HN 0.321 nan 8.290 nan 0.000 0.529 393 V N 2.460 122.366 119.914 -0.013 0.000 2.655 393 V HA 0.297 4.416 4.120 -0.000 0.000 0.300 393 V C -0.654 175.288 176.094 -0.254 0.000 1.044 393 V CA -0.273 61.895 62.300 -0.219 0.000 1.095 393 V CB 1.185 32.917 31.823 -0.151 0.000 0.952 393 V HN 0.261 nan 8.190 nan 0.000 0.485 394 P HA 0.158 nan 4.420 nan 0.000 0.232 394 P C -0.178 176.826 177.300 -0.493 0.000 1.738 394 P CA 0.065 62.869 63.100 -0.493 0.000 0.948 394 P CB -0.036 31.402 31.700 -0.436 0.000 1.943 395 L N 0.080 121.067 121.223 -0.394 0.000 2.479 395 L HA 0.284 4.624 4.340 -0.000 0.000 0.249 395 L C 1.121 177.832 176.870 -0.265 0.000 1.178 395 L CA -0.556 54.196 54.840 -0.146 0.000 0.811 395 L CB 0.115 42.280 42.059 0.177 0.000 1.187 395 L HN -0.011 nan 8.230 nan 0.000 0.480 396 D N -0.323 120.064 120.400 -0.022 0.000 2.398 396 D HA 0.013 4.653 4.640 -0.000 0.000 0.250 396 D C 0.754 177.218 176.300 0.272 0.000 1.287 396 D CA 0.359 54.393 54.000 0.057 0.000 0.992 396 D CB 0.057 40.936 40.800 0.133 0.000 1.071 396 D HN 0.292 nan 8.370 nan 0.000 0.514 397 Y N 1.351 121.850 120.300 0.333 0.000 2.497 397 Y HA -0.097 4.453 4.550 -0.000 0.000 0.292 397 Y C 1.925 178.040 175.900 0.358 0.000 1.137 397 Y CA 0.265 58.618 58.100 0.421 0.000 1.285 397 Y CB 0.321 38.969 38.460 0.313 0.000 0.991 397 Y HN 0.410 nan 8.280 nan 0.000 0.556 398 E N -0.047 120.400 120.200 0.411 0.000 2.299 398 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 398 E C 0.089 176.894 176.600 0.340 0.000 0.998 398 E CA -0.113 56.478 56.400 0.319 0.000 0.851 398 E CB 0.005 29.841 29.700 0.227 0.000 0.795 398 E HN 0.215 nan 8.360 nan 0.000 0.492 399 F N 1.546 121.642 119.950 0.243 0.000 2.495 399 F HA 0.072 4.599 4.527 -0.000 0.000 0.365 399 F C -0.413 175.555 175.800 0.280 0.000 1.090 399 F CA -0.537 57.605 58.000 0.237 0.000 1.235 399 F CB 0.321 39.436 39.000 0.191 0.000 1.119 399 F HN -0.156 nan 8.300 nan 0.000 0.562 400 Y N 8.045 127.983 120.300 -0.604 0.000 2.331 400 Y HA 0.485 5.035 4.550 -0.000 0.000 0.338 400 Y C -1.907 173.748 175.900 -0.408 0.000 0.976 400 Y CA -1.516 56.383 58.100 -0.336 0.000 1.137 400 Y CB 0.771 39.135 38.460 -0.160 0.000 1.172 400 Y HN 0.559 nan 8.280 nan 0.000 0.478 401 F N 8.952 128.316 119.950 -0.977 0.000 2.585 401 F HA 0.587 5.114 4.527 -0.000 0.000 0.319 401 F C -2.762 172.585 175.800 -0.754 0.000 1.165 401 F CA -2.674 54.875 58.000 -0.752 0.000 0.949 401 F CB 1.708 40.592 39.000 -0.194 0.000 1.218 401 F HN 0.380 nan 8.300 nan 0.000 0.453 402 P HA 0.261 nan 4.420 nan 0.000 0.269 402 P C -0.222 176.834 177.300 -0.406 0.000 1.209 402 P CA -0.016 62.603 63.100 -0.803 0.000 0.776 402 P CB 0.784 31.742 31.700 -1.236 0.000 0.876 403 G N 0.913 109.564 108.800 -0.250 0.000 2.502 403 G HA2 0.291 4.251 3.960 -0.000 0.000 0.305 403 G HA3 0.291 4.251 3.960 -0.000 0.000 0.305 403 G C 0.229 174.888 174.900 -0.402 0.000 1.190 403 G CA -0.553 44.392 45.100 -0.259 0.000 0.933 403 G HN 0.565 nan 8.290 nan 0.000 0.503 404 Y N -1.139 118.890 120.300 -0.451 0.000 2.333 404 Y HA 0.062 4.612 4.550 -0.000 0.000 0.290 404 Y C 2.404 177.957 175.900 -0.578 0.000 1.144 404 Y CA 0.995 58.720 58.100 -0.625 0.000 1.228 404 Y CB -0.735 36.982 38.460 -1.238 0.000 0.985 404 Y HN 0.346 nan 8.280 nan 0.000 0.542 405 A N 0.889 123.196 122.820 -0.856 0.000 2.216 405 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 405 A C 1.754 179.156 177.584 -0.302 0.000 1.160 405 A CA 0.979 52.570 52.037 -0.742 0.000 0.725 405 A CB -0.730 17.688 19.000 -0.970 0.000 0.784 405 A HN 0.655 nan 8.150 nan 0.000 0.472 406 E N -1.213 118.871 120.200 -0.193 0.000 2.494 406 E HA 0.240 4.590 4.350 -0.000 0.000 0.193 406 E C 1.287 177.974 176.600 0.145 0.000 1.074 406 E CA 0.257 56.667 56.400 0.016 0.000 0.867 406 E CB -0.132 29.569 29.700 0.003 0.000 0.924 406 E HN 0.707 nan 8.360 nan 0.000 0.502 407 G N 0.534 109.428 108.800 0.157 0.000 2.241 407 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.244 407 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.244 407 G C 0.921 176.011 174.900 0.317 0.000 0.998 407 G CA -0.030 45.242 45.100 0.287 0.000 0.621 407 G HN 0.688 nan 8.290 nan 0.000 0.519 408 G N 0.823 109.819 108.800 0.327 0.000 2.665 408 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.326 408 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.326 408 G C 1.383 176.555 174.900 0.454 0.000 1.231 408 G CA 2.538 47.906 45.100 0.448 0.000 0.992 408 G HN 1.993 nan 8.290 nan 0.000 0.549 409 I N -0.061 120.609 120.570 0.166 0.000 3.793 409 I HA 0.332 4.501 4.170 -0.000 0.000 0.315 409 I C 2.298 178.495 176.117 0.134 0.000 1.275 409 I CA 1.480 62.766 61.300 -0.023 0.000 1.214 409 I CB 0.189 37.703 38.000 -0.811 0.000 1.018 409 I HN 0.493 nan 8.210 nan 0.000 0.439 410 S N 1.198 117.012 115.700 0.189 0.000 2.406 410 S HA 0.170 4.640 4.470 -0.000 0.000 0.224 410 S C 1.927 176.549 174.600 0.036 0.000 1.030 410 S CA 0.644 58.921 58.200 0.128 0.000 0.958 410 S CB -0.682 62.633 63.200 0.192 0.000 0.811 410 S HN 0.763 nan 8.310 nan 0.000 0.489 411 G N 1.804 110.693 108.800 0.148 0.000 2.168 411 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 411 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 411 G C -0.197 174.621 174.900 -0.137 0.000 0.997 411 G CA 0.370 45.446 45.100 -0.041 0.000 0.708 411 G HN 0.672 nan 8.290 nan 0.000 0.520 412 D N -0.039 120.330 120.400 -0.050 0.000 2.346 412 D HA 0.248 4.888 4.640 -0.000 0.000 0.267 412 D C 1.502 177.756 176.300 -0.077 0.000 1.320 412 D CA -0.079 53.854 54.000 -0.111 0.000 0.951 412 D CB -0.062 40.633 40.800 -0.175 0.000 1.079 412 D HN 0.185 nan 8.370 nan 0.000 0.509 413 C N 2.952 122.189 119.300 -0.106 0.000 2.522 413 C HA 0.003 4.463 4.460 -0.000 0.000 0.271 413 C C 2.065 177.044 174.990 -0.017 0.000 1.425 413 C CA 0.011 58.989 59.018 -0.068 0.000 1.751 413 C CB -0.867 26.813 27.740 -0.100 0.000 1.775 413 C HN 0.732 nan 8.230 nan 0.000 0.557 414 E N 0.445 120.611 120.200 -0.057 0.000 2.413 414 E HA 0.042 4.392 4.350 -0.000 0.000 0.203 414 E C 1.372 177.941 176.600 -0.052 0.000 0.957 414 E CA 0.415 56.788 56.400 -0.045 0.000 0.950 414 E CB 0.103 29.753 29.700 -0.084 0.000 0.957 414 E HN 0.509 nan 8.360 nan 0.000 0.497 415 N N 0.393 119.021 118.700 -0.119 0.000 2.184 415 N HA 0.064 4.804 4.740 -0.000 0.000 0.206 415 N C -0.362 175.252 175.510 0.174 0.000 1.151 415 N CA 0.476 53.458 53.050 -0.112 0.000 0.878 415 N CB 1.488 39.611 38.487 -0.607 0.000 1.014 415 N HN 0.124 nan 8.380 nan 0.000 0.512 416 S N -1.160 114.655 115.700 0.193 0.000 2.720 416 S HA 0.678 5.148 4.470 -0.000 0.000 0.287 416 S C -0.154 174.576 174.600 0.217 0.000 1.168 416 S CA -0.623 57.766 58.200 0.314 0.000 0.832 416 S CB 1.768 65.169 63.200 0.334 0.000 1.166 416 S HN -0.050 nan 8.310 nan 0.000 0.493 417 A N -0.082 122.852 122.820 0.190 0.000 2.462 417 A HA 0.703 5.023 4.320 -0.000 0.000 0.261 417 A C 1.744 179.468 177.584 0.234 0.000 1.323 417 A CA 0.392 52.573 52.037 0.240 0.000 0.913 417 A CB -1.314 17.841 19.000 0.258 0.000 1.028 417 A HN 1.334 nan 8.150 nan 0.000 0.511 418 A N -0.017 122.896 122.820 0.155 0.000 1.940 418 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 418 A C 2.262 179.772 177.584 -0.123 0.000 1.176 418 A CA 1.849 53.939 52.037 0.088 0.000 0.631 418 A CB -1.054 17.984 19.000 0.064 0.000 0.814 418 A HN 0.805 nan 8.150 nan 0.000 0.446 419 G N -1.577 107.161 108.800 -0.104 0.000 2.462 419 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 419 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 419 G C 1.354 176.268 174.900 0.024 0.000 1.121 419 G CA 1.077 46.078 45.100 -0.165 0.000 0.758 419 G HN 0.482 nan 8.290 nan 0.000 0.559 420 F N 0.563 120.459 119.950 -0.089 0.000 2.075 420 F HA 0.089 4.615 4.527 -0.000 0.000 0.297 420 F C 2.336 178.051 175.800 -0.142 0.000 1.113 420 F CA 2.290 60.165 58.000 -0.208 0.000 1.218 420 F CB 0.198 38.809 39.000 -0.648 0.000 0.984 420 F HN 0.167 nan 8.300 nan 0.000 0.472 421 K N -3.086 117.271 120.400 -0.072 0.000 2.864 421 K HA -0.032 4.288 4.320 -0.000 0.000 0.192 421 K C 1.860 178.437 176.600 -0.038 0.000 1.576 421 K CA 0.115 56.339 56.287 -0.106 0.000 1.283 421 K CB -0.771 31.540 32.500 -0.316 0.000 1.778 421 K HN 0.101 nan 8.250 nan 0.000 0.611 422 F N 2.740 122.644 119.950 -0.077 0.000 2.095 422 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 422 F C 2.004 177.707 175.800 -0.163 0.000 1.104 422 F CA 2.026 59.987 58.000 -0.065 0.000 1.232 422 F CB -0.471 38.526 39.000 -0.005 0.000 0.987 422 F HN 0.173 nan 8.300 nan 0.000 0.475 423 A N -0.330 122.282 122.820 -0.347 0.000 1.917 423 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 423 A C 2.154 179.522 177.584 -0.361 0.000 1.182 423 A CA 1.890 53.685 52.037 -0.402 0.000 0.633 423 A CB -1.842 16.754 19.000 -0.674 0.000 0.819 423 A HN 0.682 nan 8.150 nan 0.000 0.448 424 W N -0.828 120.402 121.300 -0.115 0.000 2.465 424 W HA -0.029 4.631 4.660 -0.000 0.000 0.268 424 W C 2.502 178.892 176.519 -0.215 0.000 1.242 424 W CA 0.646 57.902 57.345 -0.149 0.000 1.248 424 W CB -0.046 29.305 29.460 -0.180 0.000 1.118 424 W HN 0.248 nan 8.180 nan 0.000 0.587 425 R N -0.886 119.516 120.500 -0.162 0.000 2.146 425 R HA 0.056 4.396 4.340 -0.000 0.000 0.206 425 R C 2.057 178.082 176.300 -0.458 0.000 1.049 425 R CA 0.801 56.742 56.100 -0.265 0.000 1.029 425 R CB -0.502 29.651 30.300 -0.246 0.000 0.949 425 R HN 0.109 nan 8.270 nan 0.000 0.471 426 M N 0.137 119.241 119.600 -0.826 0.000 2.200 426 M HA 0.044 4.523 4.480 -0.000 0.000 0.265 426 M C -0.368 175.360 176.300 -0.953 0.000 1.066 426 M CA 1.613 56.275 55.300 -1.064 0.000 1.127 426 M CB 0.337 31.937 32.600 -1.667 0.000 1.379 426 M HN -0.170 nan 8.290 nan 0.000 0.420 427 F N 0.085 119.868 119.950 -0.280 0.000 2.492 427 F HA 0.309 4.836 4.527 -0.000 0.000 0.327 427 F C 0.691 176.384 175.800 -0.178 0.000 1.079 427 F CA -0.947 56.928 58.000 -0.208 0.000 0.967 427 F CB 0.984 39.878 39.000 -0.177 0.000 1.169 427 F HN 0.145 nan 8.300 nan 0.000 0.472 428 D N -0.860 119.502 120.400 -0.063 0.000 2.469 428 D HA 0.180 4.820 4.640 -0.000 0.000 0.213 428 D C 1.437 177.673 176.300 -0.107 0.000 1.135 428 D CA 0.256 54.201 54.000 -0.092 0.000 0.834 428 D CB 0.317 41.039 40.800 -0.130 0.000 1.009 428 D HN 0.784 nan 8.370 nan 0.000 0.507 429 G N 0.723 109.409 108.800 -0.190 0.000 2.225 429 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 429 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 429 G C 0.778 175.630 174.900 -0.080 0.000 1.024 429 G CA 1.065 46.102 45.100 -0.105 0.000 0.784 429 G HN 0.491 nan 8.290 nan 0.000 0.507 430 K N -2.388 117.830 120.400 -0.304 0.000 2.757 430 K HA 0.140 4.460 4.320 -0.000 0.000 0.201 430 K C 2.310 178.864 176.600 -0.077 0.000 1.495 430 K CA 0.865 57.106 56.287 -0.077 0.000 1.090 430 K CB 0.140 32.606 32.500 -0.058 0.000 1.796 430 K HN 0.372 nan 8.250 nan 0.000 0.523 431 T N -2.003 112.396 114.554 -0.257 0.000 2.955 431 T HA 0.093 4.443 4.350 -0.000 0.000 0.251 431 T C 0.607 175.207 174.700 -0.167 0.000 1.002 431 T CA 0.087 62.120 62.100 -0.111 0.000 0.970 431 T CB 0.724 69.540 68.868 -0.086 0.000 1.091 431 T HN 0.020 nan 8.240 nan 0.000 0.495 432 T N 1.031 115.312 114.554 -0.454 0.000 2.881 432 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 432 T C -1.996 172.505 174.700 -0.332 0.000 1.000 432 T CA -0.760 61.240 62.100 -0.167 0.000 0.978 432 T CB 0.797 69.646 68.868 -0.032 0.000 0.997 432 T HN 0.161 nan 8.240 nan 0.000 0.443 433 F N 3.958 124.104 119.950 0.326 0.000 2.577 433 F HA 0.637 5.164 4.527 -0.000 0.000 0.318 433 F C -2.207 173.497 175.800 -0.159 0.000 1.065 433 F CA -2.389 55.680 58.000 0.115 0.000 0.929 433 F CB 1.444 40.466 39.000 0.036 0.000 1.237 433 F HN 0.358 nan 8.300 nan 0.000 0.468 434 P HA 0.180 nan 4.420 nan 0.000 0.274 434 P C -0.877 176.283 177.300 -0.234 0.000 1.256 434 P CA -0.532 62.109 63.100 -0.765 0.000 0.795 434 P CB 0.879 32.082 31.700 -0.828 0.000 1.038 435 S N 0.674 116.264 115.700 -0.183 0.000 2.399 435 S HA 0.484 4.954 4.470 -0.000 0.000 0.215 435 S C -2.672 171.861 174.600 -0.112 0.000 1.456 435 S CA -1.729 56.422 58.200 -0.082 0.000 1.199 435 S CB -0.538 62.657 63.200 -0.009 0.000 1.063 435 S HN 0.145 nan 8.310 nan 0.000 0.476 436 P HA 0.309 nan 4.420 nan 0.000 0.276 436 P C -1.030 176.203 177.300 -0.112 0.000 1.244 436 P CA -0.434 62.593 63.100 -0.123 0.000 0.801 436 P CB 0.998 32.639 31.700 -0.098 0.000 1.006 437 S N 1.263 116.883 115.700 -0.133 0.000 2.552 437 S HA 0.284 4.754 4.470 -0.000 0.000 0.314 437 S C 0.626 175.163 174.600 -0.105 0.000 1.099 437 S CA -0.677 57.452 58.200 -0.119 0.000 1.070 437 S CB -0.099 63.001 63.200 -0.166 0.000 0.998 437 S HN 0.435 nan 8.310 nan 0.000 0.474 438 N N 5.367 124.028 118.700 -0.064 0.000 2.322 438 N HA 0.113 4.853 4.740 -0.000 0.000 0.194 438 N C 0.781 176.272 175.510 -0.032 0.000 1.126 438 N CA 0.103 53.133 53.050 -0.033 0.000 0.845 438 N CB -0.062 38.428 38.487 0.004 0.000 0.976 438 N HN 0.592 nan 8.380 nan 0.000 0.475 439 L N -0.776 120.383 121.223 -0.106 0.000 2.526 439 L HA 0.212 4.552 4.340 -0.000 0.000 0.210 439 L C 0.407 177.124 176.870 -0.255 0.000 1.048 439 L CA 0.032 54.760 54.840 -0.187 0.000 0.852 439 L CB 0.036 41.961 42.059 -0.225 0.000 1.128 439 L HN 0.003 nan 8.230 nan 0.000 0.482 440 N N 1.086 119.600 118.700 -0.311 0.000 3.178 440 N HA 0.050 4.790 4.740 -0.000 0.000 0.300 440 N C -0.675 174.711 175.510 -0.207 0.000 1.242 440 N CA 0.378 53.240 53.050 -0.313 0.000 1.192 440 N CB -0.028 38.178 38.487 -0.469 0.000 1.463 440 N HN 0.038 nan 8.380 nan 0.000 0.539 441 T N -1.029 113.448 114.554 -0.129 0.000 2.821 441 T HA 0.259 4.609 4.350 -0.000 0.000 0.306 441 T C 0.936 175.632 174.700 -0.007 0.000 1.313 441 T CA -0.488 61.563 62.100 -0.082 0.000 1.012 441 T CB 0.900 69.734 68.868 -0.058 0.000 1.298 441 T HN 0.111 nan 8.240 nan 0.000 0.502 442 S N 1.240 116.950 115.700 0.017 0.000 2.387 442 S HA -0.080 4.389 4.470 -0.000 0.000 0.230 442 S C 2.047 176.778 174.600 0.217 0.000 1.035 442 S CA 1.606 59.909 58.200 0.171 0.000 1.014 442 S CB -0.443 62.789 63.200 0.052 0.000 0.836 442 S HN 0.813 nan 8.310 nan 0.000 0.466 443 A N 0.712 123.600 122.820 0.113 0.000 2.238 443 A HA 0.450 4.770 4.320 -0.000 0.000 0.208 443 A C 1.378 179.086 177.584 0.206 0.000 1.177 443 A CA 0.782 52.903 52.037 0.141 0.000 0.804 443 A CB -0.460 18.594 19.000 0.090 0.000 0.823 443 A HN 0.484 nan 8.150 nan 0.000 0.482 444 G N -0.936 107.948 108.800 0.139 0.000 3.182 444 G HA2 0.457 4.417 3.960 -0.000 0.000 0.167 444 G HA3 0.457 4.417 3.960 -0.000 0.000 0.167 444 G C -0.204 174.615 174.900 -0.135 0.000 1.537 444 G CA -0.064 45.043 45.100 0.012 0.000 1.046 444 G HN 0.396 nan 8.290 nan 0.000 0.580 445 Q N -0.407 119.181 119.800 -0.354 0.000 2.289 445 Q HA 0.442 4.782 4.340 -0.000 0.000 0.270 445 Q C -1.528 174.470 176.000 -0.004 0.000 1.038 445 Q CA -0.907 54.792 55.803 -0.172 0.000 0.812 445 Q CB 1.728 30.233 28.738 -0.389 0.000 1.300 445 Q HN 0.913 nan 8.270 nan 0.000 0.427 446 H N 3.145 122.253 119.070 0.064 0.000 2.990 446 H HA 0.681 5.237 4.556 -0.000 0.000 0.336 446 H C -1.348 174.051 175.328 0.118 0.000 1.306 446 H CA -0.864 55.203 56.048 0.032 0.000 1.118 446 H CB 1.321 31.091 29.762 0.013 0.000 1.856 446 H HN 0.733 nan 8.280 nan 0.000 0.538 447 I N -1.933 118.457 120.570 -0.300 0.000 2.865 447 I HA 0.576 4.746 4.170 -0.000 0.000 0.302 447 I C -3.233 172.555 176.117 -0.548 0.000 1.140 447 I CA -2.885 58.028 61.300 -0.644 0.000 1.021 447 I CB 2.959 40.556 38.000 -0.672 0.000 1.233 447 I HN 0.176 nan 8.210 nan 0.000 0.427 448 P HA 0.231 nan 4.420 nan 0.000 0.276 448 P C 0.140 177.247 177.300 -0.322 0.000 1.235 448 P CA -0.354 62.469 63.100 -0.461 0.000 0.772 448 P CB 1.050 32.427 31.700 -0.537 0.000 0.871 449 R N 3.680 124.089 120.500 -0.152 0.000 2.105 449 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 449 R C 1.457 177.672 176.300 -0.142 0.000 1.135 449 R CA 1.569 57.598 56.100 -0.117 0.000 0.967 449 R CB -0.680 29.591 30.300 -0.048 0.000 0.861 449 R HN 0.437 nan 8.270 nan 0.000 0.442 450 L N 0.286 121.443 121.223 -0.110 0.000 2.456 450 L HA -0.072 4.267 4.340 -0.000 0.000 0.224 450 L C 1.249 177.953 176.870 -0.276 0.000 1.148 450 L CA 0.924 55.710 54.840 -0.090 0.000 0.825 450 L CB -0.013 42.068 42.059 0.036 0.000 0.937 450 L HN 0.068 nan 8.230 nan 0.000 0.450 451 K N -0.458 119.676 120.400 -0.444 0.000 2.564 451 K HA 0.303 4.623 4.320 -0.000 0.000 0.205 451 K C 1.406 177.560 176.600 -0.744 0.000 1.053 451 K CA -0.036 55.812 56.287 -0.732 0.000 1.072 451 K CB 0.735 32.546 32.500 -1.149 0.000 0.822 451 K HN 0.196 nan 8.250 nan 0.000 0.497 452 I N 1.713 121.917 120.570 -0.609 0.000 2.194 452 I HA -0.230 3.939 4.170 -0.000 0.000 0.246 452 I C -0.859 174.859 176.117 -0.665 0.000 1.093 452 I CA 1.521 62.456 61.300 -0.608 0.000 1.355 452 I CB -1.105 36.628 38.000 -0.445 0.000 1.046 452 I HN 0.039 nan 8.210 nan 0.000 0.413 453 P HA -0.170 nan 4.420 nan 0.000 0.215 453 P C 1.274 178.253 177.300 -0.535 0.000 1.153 453 P CA 1.419 64.110 63.100 -0.681 0.000 0.853 453 P CB 0.038 31.259 31.700 -0.799 0.000 0.788 454 E N -1.231 118.635 120.200 -0.557 0.000 2.106 454 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 454 E C 2.100 178.488 176.600 -0.354 0.000 0.984 454 E CA 0.987 57.120 56.400 -0.444 0.000 0.806 454 E CB -1.424 27.940 29.700 -0.559 0.000 0.750 454 E HN 0.235 nan 8.360 nan 0.000 0.458 455 C N 0.216 119.241 119.300 -0.459 0.000 2.446 455 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 455 C C 2.537 177.388 174.990 -0.231 0.000 1.275 455 C CA 0.296 59.105 59.018 -0.349 0.000 1.727 455 C CB -0.827 26.416 27.740 -0.829 0.000 2.010 455 C HN 0.377 nan 8.230 nan 0.000 0.486 456 I N 0.481 120.820 120.570 -0.384 0.000 2.163 456 I HA -0.234 3.935 4.170 -0.000 0.000 0.240 456 I C 2.536 178.332 176.117 -0.535 0.000 1.081 456 I CA 1.752 62.830 61.300 -0.370 0.000 1.353 456 I CB -0.371 37.381 38.000 -0.412 0.000 1.054 456 I HN 0.331 nan 8.210 nan 0.000 0.407 457 M N -0.172 119.094 119.600 -0.557 0.000 2.288 457 M HA 0.014 4.494 4.480 -0.000 0.000 0.266 457 M C 2.141 178.233 176.300 -0.345 0.000 1.072 457 M CA 1.544 56.439 55.300 -0.674 0.000 1.132 457 M CB -0.471 31.920 32.600 -0.348 0.000 1.386 457 M HN 0.301 nan 8.290 nan 0.000 0.432 458 G N -0.856 107.825 108.800 -0.199 0.000 2.662 458 G HA2 0.261 4.221 3.960 -0.000 0.000 0.212 458 G HA3 0.261 4.221 3.960 -0.000 0.000 0.212 458 G C 1.199 176.107 174.900 0.013 0.000 1.141 458 G CA 0.548 45.615 45.100 -0.056 0.000 0.797 458 G HN 0.582 nan 8.290 nan 0.000 0.531 459 G N -0.638 108.183 108.800 0.035 0.000 2.168 459 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.263 459 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.263 459 G C 0.153 175.146 174.900 0.154 0.000 0.977 459 G CA 1.056 46.227 45.100 0.118 0.000 0.659 459 G HN 0.833 nan 8.290 nan 0.000 0.533 460 K N -1.702 118.857 120.400 0.265 0.000 2.597 460 K HA 0.716 5.036 4.320 -0.000 0.000 0.282 460 K C -1.952 174.951 176.600 0.506 0.000 0.975 460 K CA -0.979 55.495 56.287 0.311 0.000 0.867 460 K CB 1.446 34.035 32.500 0.149 0.000 1.465 460 K HN 0.502 nan 8.250 nan 0.000 0.417 461 F N 0.926 121.078 119.950 0.336 0.000 2.793 461 F HA 0.309 4.835 4.527 -0.000 0.000 0.316 461 F C -1.982 174.117 175.800 0.498 0.000 1.147 461 F CA -0.498 57.715 58.000 0.355 0.000 0.930 461 F CB 1.763 40.937 39.000 0.290 0.000 1.277 461 F HN 0.402 nan 8.300 nan 0.000 0.443 462 Q N 3.353 123.002 119.800 -0.251 0.000 2.315 462 Q HA 0.541 4.881 4.340 -0.000 0.000 0.273 462 Q C -1.928 174.031 176.000 -0.067 0.000 1.053 462 Q CA -0.401 55.352 55.803 -0.084 0.000 0.817 462 Q CB 2.942 31.613 28.738 -0.111 0.000 1.326 462 Q HN 0.785 nan 8.270 nan 0.000 0.423 463 W N 0.912 122.215 121.300 0.004 0.000 2.874 463 W HA 0.730 5.389 4.660 -0.000 0.000 0.403 463 W C -1.536 175.173 176.519 0.317 0.000 1.144 463 W CA -0.767 56.665 57.345 0.145 0.000 1.175 463 W CB 0.402 30.044 29.460 0.303 0.000 1.483 463 W HN 0.337 nan 8.180 nan 0.000 0.591 464 S N 1.100 117.106 115.700 0.510 0.000 2.472 464 S HA 0.758 5.227 4.470 -0.000 0.000 0.303 464 S C 0.074 175.133 174.600 0.765 0.000 1.099 464 S CA 0.139 58.633 58.200 0.492 0.000 1.077 464 S CB 0.932 64.396 63.200 0.440 0.000 1.031 464 S HN 1.644 nan 8.310 nan 0.000 0.487 465 G N 1.858 111.130 108.800 0.787 0.000 2.785 465 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.685 465 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.685 465 G C -0.820 174.423 174.900 0.571 0.000 1.480 465 G CA -0.641 44.912 45.100 0.756 0.000 0.915 465 G HN 0.754 nan 8.290 nan 0.000 0.576 466 K N 1.454 121.992 120.400 0.229 0.000 2.507 466 K HA 0.577 4.897 4.320 -0.000 0.000 0.253 466 K C 1.352 177.949 176.600 -0.005 0.000 0.969 466 K CA 0.535 56.728 56.287 -0.157 0.000 0.908 466 K CB 0.484 32.603 32.500 -0.634 0.000 1.127 466 K HN 2.392 nan 8.250 nan 0.000 0.437 467 G N 3.368 112.228 108.800 0.101 0.000 2.652 467 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.318 467 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.318 467 G C -0.488 174.586 174.900 0.290 0.000 1.295 467 G CA 0.139 45.333 45.100 0.156 0.000 0.999 467 G HN 0.536 nan 8.290 nan 0.000 0.548 468 F N 2.502 122.429 119.950 -0.039 0.000 2.439 468 F HA 0.571 5.098 4.527 -0.000 0.000 0.356 468 F C 1.216 177.026 175.800 0.016 0.000 1.161 468 F CA -0.856 57.075 58.000 -0.115 0.000 1.151 468 F CB 0.583 39.489 39.000 -0.157 0.000 1.222 468 F HN 0.702 nan 8.300 nan 0.000 0.558 469 A N 2.790 125.785 122.820 0.291 0.000 3.168 469 A HA 0.483 4.803 4.320 -0.000 0.000 0.260 469 A C 1.540 179.166 177.584 0.070 0.000 1.598 469 A CA 0.141 52.295 52.037 0.196 0.000 1.285 469 A CB -0.901 18.187 19.000 0.147 0.000 1.149 469 A HN 0.827 nan 8.150 nan 0.000 0.630 470 G N -0.208 108.657 108.800 0.107 0.000 2.985 470 G HA2 0.216 4.176 3.960 -0.000 0.000 0.209 470 G HA3 0.216 4.176 3.960 -0.000 0.000 0.209 470 G C 1.145 176.096 174.900 0.084 0.000 1.165 470 G CA 0.777 45.902 45.100 0.041 0.000 0.776 470 G HN 0.677 nan 8.290 nan 0.000 0.541 471 G N -0.269 108.610 108.800 0.131 0.000 2.418 471 G HA2 0.104 4.064 3.960 -0.000 0.000 0.217 471 G HA3 0.104 4.064 3.960 -0.000 0.000 0.217 471 G C 0.334 175.074 174.900 -0.266 0.000 1.158 471 G CA 1.106 46.253 45.100 0.079 0.000 0.771 471 G HN 0.473 nan 8.290 nan 0.000 0.545 472 D N -3.104 116.902 120.400 -0.656 0.000 2.653 472 D HA 0.240 4.880 4.640 -0.000 0.000 0.258 472 D C 1.265 177.336 176.300 -0.382 0.000 1.252 472 D CA -0.774 52.916 54.000 -0.517 0.000 0.777 472 D CB 0.369 40.774 40.800 -0.658 0.000 1.339 472 D HN -0.100 nan 8.370 nan 0.000 0.422 473 I N 0.305 120.734 120.570 -0.236 0.000 2.151 473 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 473 I C 1.547 177.561 176.117 -0.171 0.000 1.080 473 I CA 1.237 62.395 61.300 -0.237 0.000 1.339 473 I CB -0.198 37.714 38.000 -0.147 0.000 1.039 473 I HN 0.222 nan 8.210 nan 0.000 0.409 474 S N -1.311 114.352 115.700 -0.062 0.000 2.593 474 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 474 S C 1.458 176.134 174.600 0.128 0.000 0.966 474 S CA -0.066 58.153 58.200 0.031 0.000 0.914 474 S CB -0.482 62.750 63.200 0.053 0.000 0.776 474 S HN 0.489 nan 8.310 nan 0.000 0.523 475 H N 2.070 121.138 119.070 -0.002 0.000 2.421 475 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 475 H C 2.395 177.787 175.328 0.107 0.000 1.087 475 H CA 1.338 57.417 56.048 0.052 0.000 1.330 475 H CB 0.067 29.854 29.762 0.041 0.000 1.388 475 H HN 0.597 nan 8.280 nan 0.000 0.526 476 Q N 0.999 120.897 119.800 0.162 0.000 2.437 476 Q HA -0.072 4.268 4.340 -0.000 0.000 0.210 476 Q C 1.560 177.713 176.000 0.255 0.000 0.972 476 Q CA 0.842 56.762 55.803 0.194 0.000 0.903 476 Q CB -0.069 28.648 28.738 -0.036 0.000 0.967 476 Q HN 0.508 nan 8.270 nan 0.000 0.486 477 L N 0.058 121.318 121.223 0.061 0.000 2.529 477 L HA 0.124 4.464 4.340 -0.000 0.000 0.223 477 L C 1.360 178.184 176.870 -0.077 0.000 1.113 477 L CA -0.276 54.441 54.840 -0.205 0.000 0.861 477 L CB -0.371 41.352 42.059 -0.561 0.000 1.012 477 L HN 0.360 nan 8.230 nan 0.000 0.461 478 H N 2.209 121.265 119.070 -0.023 0.000 2.897 478 H HA 0.048 4.604 4.556 -0.000 0.000 0.347 478 H C -0.276 174.923 175.328 -0.214 0.000 1.068 478 H CA 0.405 56.370 56.048 -0.139 0.000 1.426 478 H CB 0.799 30.460 29.762 -0.168 0.000 1.410 478 H HN 0.089 nan 8.280 nan 0.000 0.597 479 Q N 4.499 123.930 119.800 -0.614 0.000 2.241 479 Q HA 0.225 4.565 4.340 -0.000 0.000 0.254 479 Q C -0.907 174.731 176.000 -0.603 0.000 0.917 479 Q CA -0.327 55.237 55.803 -0.399 0.000 0.919 479 Q CB 1.325 29.911 28.738 -0.253 0.000 1.237 479 Q HN 0.514 nan 8.270 nan 0.000 0.434 480 Y N -0.155 119.888 120.300 -0.427 0.000 2.576 480 Y HA 0.399 4.949 4.550 -0.000 0.000 0.346 480 Y C 0.269 175.597 175.900 -0.954 0.000 1.018 480 Y CA -0.963 56.736 58.100 -0.668 0.000 1.050 480 Y CB 1.956 39.872 38.460 -0.907 0.000 1.280 480 Y HN 0.523 nan 8.280 nan 0.000 0.474 481 E N 0.415 120.319 120.200 -0.493 0.000 2.408 481 E HA 0.515 4.865 4.350 -0.000 0.000 0.275 481 E C -2.224 174.467 176.600 0.151 0.000 0.935 481 E CA -1.126 55.146 56.400 -0.213 0.000 0.775 481 E CB 3.121 32.789 29.700 -0.054 0.000 1.277 481 E HN 0.569 nan 8.360 nan 0.000 0.455 482 Y N 1.600 122.079 120.300 0.298 0.000 2.421 482 Y HA 0.414 4.963 4.550 -0.000 0.000 0.339 482 Y C -2.838 173.189 175.900 0.212 0.000 0.996 482 Y CA -2.348 55.952 58.100 0.332 0.000 1.046 482 Y CB 2.256 40.990 38.460 0.457 0.000 1.226 482 Y HN 0.400 nan 8.280 nan 0.000 0.445 483 P HA 0.241 nan 4.420 nan 0.000 0.275 483 P C -0.735 176.563 177.300 -0.002 0.000 1.228 483 P CA -0.087 62.708 63.100 -0.508 0.000 0.786 483 P CB 1.231 32.651 31.700 -0.465 0.000 0.927 484 A N 4.879 127.809 122.820 0.183 0.000 2.445 484 A HA 0.317 4.637 4.320 -0.000 0.000 0.242 484 A C -2.024 175.702 177.584 0.236 0.000 1.075 484 A CA -1.240 50.946 52.037 0.249 0.000 0.777 484 A CB -1.538 17.666 19.000 0.340 0.000 1.013 484 A HN 0.415 nan 8.150 nan 0.000 0.493 485 P HA 0.151 nan 4.420 nan 0.000 0.258 485 P C 1.099 178.400 177.300 0.002 0.000 1.172 485 P CA 2.168 65.310 63.100 0.071 0.000 0.762 485 P CB 0.329 32.061 31.700 0.053 0.000 0.764 486 G N 1.701 110.470 108.800 -0.051 0.000 2.284 486 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.247 486 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.247 486 G C 0.029 174.799 174.900 -0.216 0.000 1.012 486 G CA -0.293 44.707 45.100 -0.168 0.000 0.618 486 G HN 0.457 nan 8.290 nan 0.000 0.521 487 Y N 1.039 121.365 120.300 0.042 0.000 2.334 487 Y HA 0.629 5.179 4.550 -0.000 0.000 0.325 487 Y C 1.100 177.027 175.900 0.044 0.000 1.308 487 Y CA 0.227 58.362 58.100 0.059 0.000 1.389 487 Y CB 1.344 39.852 38.460 0.079 0.000 1.328 487 Y HN 0.187 nan 8.280 nan 0.000 0.532 488 S N 0.660 116.529 115.700 0.281 0.000 2.617 488 S HA 0.372 4.841 4.470 -0.000 0.000 0.283 488 S C -0.565 174.104 174.600 0.116 0.000 1.189 488 S CA -0.928 57.375 58.200 0.172 0.000 1.036 488 S CB 0.467 63.804 63.200 0.228 0.000 1.014 488 S HN 0.541 nan 8.310 nan 0.000 0.522 489 K N 1.985 122.398 120.400 0.021 0.000 2.180 489 K HA 0.271 4.591 4.320 -0.000 0.000 0.251 489 K C -0.061 176.604 176.600 0.108 0.000 1.014 489 K CA -0.610 55.699 56.287 0.037 0.000 0.913 489 K CB 0.224 32.707 32.500 -0.028 0.000 1.008 489 K HN 0.485 nan 8.250 nan 0.000 0.490 490 I N 2.679 123.368 120.570 0.198 0.000 2.648 490 I HA -0.061 4.109 4.170 -0.000 0.000 0.284 490 I C 1.167 177.306 176.117 0.037 0.000 1.153 490 I CA 0.652 62.010 61.300 0.097 0.000 1.426 490 I CB 0.483 38.487 38.000 0.007 0.000 1.381 490 I HN 0.604 nan 8.210 nan 0.000 0.571 491 K N 4.706 125.140 120.400 0.056 0.000 2.474 491 K HA 0.321 4.641 4.320 -0.000 0.000 0.202 491 K C 0.162 176.870 176.600 0.179 0.000 1.248 491 K CA 0.358 56.678 56.287 0.055 0.000 0.946 491 K CB 0.968 33.451 32.500 -0.029 0.000 1.102 491 K HN 0.572 nan 8.250 nan 0.000 0.541 492 M N 0.050 119.790 119.600 0.232 0.000 2.530 492 M HA 0.432 4.912 4.480 -0.000 0.000 0.307 492 M C -1.780 174.744 176.300 0.374 0.000 1.161 492 M CA -0.756 54.742 55.300 0.330 0.000 0.903 492 M CB 2.296 35.135 32.600 0.399 0.000 1.711 492 M HN -0.029 nan 8.290 nan 0.000 0.451 493 F N 4.755 124.794 119.950 0.150 0.000 2.499 493 F HA 0.407 4.934 4.527 -0.000 0.000 0.333 493 F C -1.804 174.108 175.800 0.186 0.000 1.138 493 F CA -0.688 57.410 58.000 0.163 0.000 0.945 493 F CB 1.183 40.246 39.000 0.106 0.000 1.181 493 F HN 0.678 nan 8.300 nan 0.000 0.435 494 W N 9.054 130.541 121.300 0.312 0.000 2.282 494 W HA 0.363 5.022 4.660 -0.000 0.000 0.322 494 W C -1.211 175.286 176.519 -0.035 0.000 1.011 494 W CA -1.055 56.336 57.345 0.078 0.000 1.392 494 W CB 1.039 30.604 29.460 0.176 0.000 1.215 494 W HN 0.504 nan 8.180 nan 0.000 0.394 495 K N 4.479 124.906 120.400 0.046 0.000 2.172 495 K HA 0.127 4.447 4.320 -0.000 0.000 0.276 495 K C -1.335 175.398 176.600 0.220 0.000 1.013 495 K CA -0.732 55.506 56.287 -0.081 0.000 0.913 495 K CB 1.914 34.156 32.500 -0.431 0.000 1.055 495 K HN 0.320 nan 8.250 nan 0.000 0.461 496 Y N 1.883 122.210 120.300 0.044 0.000 2.478 496 Y HA 0.331 4.881 4.550 -0.000 0.000 0.329 496 Y C 0.221 176.075 175.900 -0.076 0.000 0.967 496 Y CA 0.460 58.582 58.100 0.037 0.000 1.255 496 Y CB 0.754 39.198 38.460 -0.026 0.000 1.103 496 Y HN 0.929 nan 8.280 nan 0.000 0.497 497 G N 2.863 111.583 108.800 -0.134 0.000 2.757 497 G HA2 0.203 4.163 3.960 -0.000 0.000 0.638 497 G HA3 0.203 4.163 3.960 -0.000 0.000 0.638 497 G C -0.091 174.704 174.900 -0.174 0.000 1.344 497 G CA -0.361 44.657 45.100 -0.136 0.000 0.855 497 G HN 1.478 nan 8.290 nan 0.000 0.537 498 G N -1.056 107.631 108.800 -0.188 0.000 4.775 498 G HA2 0.705 4.665 3.960 -0.000 0.000 0.222 498 G HA3 0.705 4.665 3.960 -0.000 0.000 0.222 498 G C -1.347 173.425 174.900 -0.215 0.000 0.974 498 G CA 0.730 45.689 45.100 -0.235 0.000 0.614 498 G HN 0.775 nan 8.290 nan 0.000 0.427 499 P HA 0.079 nan 4.420 nan 0.000 0.267 499 P C 0.803 178.012 177.300 -0.152 0.000 1.289 499 P CA 0.172 63.171 63.100 -0.169 0.000 0.866 499 P CB 0.212 31.838 31.700 -0.123 0.000 1.309 500 H N 0.223 119.124 119.070 -0.282 0.000 2.460 500 H HA -0.046 4.509 4.556 -0.000 0.000 0.297 500 H C 1.872 176.858 175.328 -0.570 0.000 1.103 500 H CA 0.578 56.333 56.048 -0.487 0.000 1.292 500 H CB -0.281 29.118 29.762 -0.605 0.000 1.376 500 H HN 0.109 nan 8.280 nan 0.000 0.531 501 L N -0.427 120.617 121.223 -0.299 0.000 2.275 501 L HA -0.076 4.264 4.340 -0.000 0.000 0.215 501 L C 2.510 179.201 176.870 -0.299 0.000 1.119 501 L CA 0.999 55.627 54.840 -0.354 0.000 0.790 501 L CB -0.005 41.785 42.059 -0.449 0.000 0.919 501 L HN 0.324 nan 8.230 nan 0.000 0.443 502 G N -1.744 106.902 108.800 -0.257 0.000 3.044 502 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.223 502 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.223 502 G C 1.356 176.114 174.900 -0.238 0.000 1.123 502 G CA 0.781 45.732 45.100 -0.250 0.000 0.765 502 G HN 0.377 nan 8.290 nan 0.000 0.546 503 T N -3.167 111.237 114.554 -0.250 0.000 2.959 503 T HA 0.375 4.725 4.350 -0.000 0.000 0.254 503 T C 1.442 175.971 174.700 -0.285 0.000 1.003 503 T CA -0.221 61.727 62.100 -0.253 0.000 0.950 503 T CB 0.301 69.016 68.868 -0.255 0.000 1.090 503 T HN -0.097 nan 8.240 nan 0.000 0.503 504 M N 2.927 122.300 119.600 -0.379 0.000 2.277 504 M HA 0.445 4.925 4.480 -0.000 0.000 0.210 504 M C 0.610 176.782 176.300 -0.214 0.000 0.951 504 M CA -0.014 55.061 55.300 -0.376 0.000 1.743 504 M CB -0.193 31.987 32.600 -0.700 0.000 1.103 504 M HN 0.332 nan 8.290 nan 0.000 0.856 505 T N -2.193 112.290 114.554 -0.119 0.000 2.887 505 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 505 T C 0.073 174.760 174.700 -0.022 0.000 1.021 505 T CA -0.355 61.713 62.100 -0.053 0.000 1.000 505 T CB 1.480 70.337 68.868 -0.019 0.000 1.034 505 T HN 0.879 nan 8.240 nan 0.000 0.467 506 A N 2.009 124.800 122.820 -0.048 0.000 2.364 506 A HA -0.181 4.139 4.320 -0.000 0.000 0.288 506 A C 1.578 179.147 177.584 -0.026 0.000 1.433 506 A CA 1.139 53.143 52.037 -0.054 0.000 0.757 506 A CB -2.526 16.442 19.000 -0.053 0.000 1.098 506 A HN 1.924 nan 8.150 nan 0.000 0.380 507 T N -1.800 112.728 114.554 -0.043 0.000 2.996 507 T HA -0.168 4.181 4.350 -0.000 0.000 0.271 507 T C 1.392 176.082 174.700 -0.017 0.000 1.126 507 T CA 1.336 63.434 62.100 -0.004 0.000 1.103 507 T CB -0.402 68.356 68.868 -0.183 0.000 0.870 507 T HN 0.601 nan 8.240 nan 0.000 0.528 508 N N 2.163 120.830 118.700 -0.054 0.000 2.364 508 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 508 N C 2.098 177.586 175.510 -0.036 0.000 1.022 508 N CA 1.228 54.254 53.050 -0.039 0.000 0.883 508 N CB -0.330 38.148 38.487 -0.014 0.000 0.965 508 N HN 0.769 nan 8.380 nan 0.000 0.438 509 R N -0.633 119.834 120.500 -0.056 0.000 2.148 509 R HA -0.083 4.256 4.340 -0.000 0.000 0.227 509 R C 1.268 177.414 176.300 -0.257 0.000 1.103 509 R CA 0.952 56.958 56.100 -0.157 0.000 0.983 509 R CB -0.738 29.425 30.300 -0.229 0.000 0.874 509 R HN 0.227 nan 8.270 nan 0.000 0.451 510 Y N 1.495 121.653 120.300 -0.237 0.000 2.314 510 Y HA 0.039 4.588 4.550 -0.000 0.000 0.293 510 Y C 2.831 178.524 175.900 -0.345 0.000 1.129 510 Y CA 1.231 59.159 58.100 -0.288 0.000 1.201 510 Y CB -0.217 38.109 38.460 -0.223 0.000 0.999 510 Y HN 0.223 nan 8.280 nan 0.000 0.541 511 A N 0.218 122.943 122.820 -0.159 0.000 1.930 511 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 511 A C 2.131 179.652 177.584 -0.106 0.000 1.175 511 A CA 1.526 53.404 52.037 -0.264 0.000 0.627 511 A CB -0.401 18.566 19.000 -0.056 0.000 0.815 511 A HN 0.373 nan 8.150 nan 0.000 0.443 512 K N -0.124 120.242 120.400 -0.057 0.000 2.097 512 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 512 K C 2.160 178.735 176.600 -0.041 0.000 1.050 512 K CA 1.707 57.991 56.287 -0.005 0.000 0.938 512 K CB -0.449 32.042 32.500 -0.014 0.000 0.718 512 K HN 0.800 nan 8.250 nan 0.000 0.442 513 M N -0.985 118.499 119.600 -0.194 0.000 2.267 513 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 513 M C 1.427 177.625 176.300 -0.170 0.000 1.063 513 M CA 1.681 56.833 55.300 -0.248 0.000 1.090 513 M CB -0.769 31.557 32.600 -0.457 0.000 1.392 513 M HN 0.009 nan 8.290 nan 0.000 0.422 514 Y N 2.344 122.606 120.300 -0.065 0.000 2.256 514 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 514 Y C 2.714 178.678 175.900 0.107 0.000 1.155 514 Y CA 1.878 59.987 58.100 0.015 0.000 1.203 514 Y CB -0.465 37.959 38.460 -0.060 0.000 0.980 514 Y HN 0.529 nan 8.280 nan 0.000 0.530 515 T N -2.980 111.725 114.554 0.252 0.000 3.129 515 T HA -0.046 4.304 4.350 -0.000 0.000 0.251 515 T C 0.445 175.235 174.700 0.149 0.000 1.117 515 T CA -0.135 62.087 62.100 0.203 0.000 1.034 515 T CB -0.505 68.473 68.868 0.183 0.000 0.968 515 T HN 0.237 nan 8.240 nan 0.000 0.526 516 H N 3.142 122.247 119.070 0.059 0.000 2.886 516 H HA 0.021 4.576 4.556 -0.000 0.000 0.329 516 H C 0.857 176.220 175.328 0.059 0.000 1.044 516 H CA 0.591 56.659 56.048 0.033 0.000 1.456 516 H CB 0.913 30.665 29.762 -0.016 0.000 1.464 516 H HN 0.371 nan 8.280 nan 0.000 0.573 517 D N 2.374 122.573 120.400 -0.335 0.000 2.350 517 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 517 D C 1.410 177.716 176.300 0.010 0.000 0.968 517 D CA 0.951 54.879 54.000 -0.121 0.000 0.894 517 D CB -0.060 40.652 40.800 -0.147 0.000 0.909 517 D HN 0.463 nan 8.370 nan 0.000 0.520 518 S N -0.067 115.722 115.700 0.149 0.000 2.461 518 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 518 S C 1.310 176.015 174.600 0.174 0.000 1.005 518 S CA -0.313 58.019 58.200 0.219 0.000 0.942 518 S CB -0.512 62.891 63.200 0.337 0.000 0.776 518 S HN 0.246 nan 8.310 nan 0.000 0.514 519 L N 2.501 123.844 121.223 0.200 0.000 2.385 519 L HA 0.242 4.582 4.340 -0.000 0.000 0.285 519 L C 1.023 178.020 176.870 0.212 0.000 1.125 519 L CA -0.162 54.788 54.840 0.184 0.000 0.890 519 L CB 0.547 42.717 42.059 0.186 0.000 1.251 519 L HN 0.384 nan 8.230 nan 0.000 0.445 520 E N 3.188 123.526 120.200 0.231 0.000 2.216 520 E HA -0.041 4.308 4.350 -0.000 0.000 0.192 520 E C -0.403 176.456 176.600 0.432 0.000 0.988 520 E CA 0.698 57.273 56.400 0.292 0.000 0.834 520 E CB 0.420 30.276 29.700 0.260 0.000 0.772 520 E HN 0.307 nan 8.360 nan 0.000 0.479 521 F N 0.169 120.213 119.950 0.157 0.000 2.615 521 F HA 0.311 4.837 4.527 -0.000 0.000 0.312 521 F C -1.726 174.113 175.800 0.065 0.000 1.119 521 F CA -1.197 56.845 58.000 0.070 0.000 0.979 521 F CB 1.559 40.635 39.000 0.127 0.000 1.266 521 F HN -0.413 nan 8.300 nan 0.000 0.444 522 V N 6.093 125.642 119.914 -0.608 0.000 2.483 522 V HA 0.664 4.784 4.120 -0.000 0.000 0.297 522 V C -1.020 174.569 176.094 -0.842 0.000 1.027 522 V CA -0.814 61.199 62.300 -0.478 0.000 0.855 522 V CB 1.674 33.428 31.823 -0.114 0.000 0.995 522 V HN 0.614 nan 8.190 nan 0.000 0.424 523 V N 3.188 122.666 119.914 -0.726 0.000 2.555 523 V HA 0.661 4.781 4.120 -0.000 0.000 0.302 523 V C -0.055 175.788 176.094 -0.419 0.000 1.038 523 V CA -0.405 61.483 62.300 -0.686 0.000 0.887 523 V CB 2.168 33.443 31.823 -0.915 0.000 0.991 523 V HN 0.837 nan 8.190 nan 0.000 0.434 524 S N 3.508 119.020 115.700 -0.313 0.000 2.659 524 S HA 0.422 4.892 4.470 -0.000 0.000 0.312 524 S C -0.714 173.814 174.600 -0.120 0.000 1.114 524 S CA -0.548 57.535 58.200 -0.196 0.000 1.063 524 S CB 1.135 64.193 63.200 -0.236 0.000 0.996 524 S HN 0.818 nan 8.310 nan 0.000 0.478 525 Q N 3.849 123.652 119.800 0.005 0.000 2.430 525 Q HA 0.600 4.940 4.340 -0.000 0.000 0.245 525 Q C -1.002 174.869 176.000 -0.215 0.000 1.021 525 Q CA -0.211 55.591 55.803 -0.001 0.000 0.867 525 Q CB 0.549 29.439 28.738 0.252 0.000 1.210 525 Q HN 0.700 nan 8.270 nan 0.000 0.487 526 S N 2.922 118.491 115.700 -0.219 0.000 2.720 526 S HA 0.503 4.973 4.470 -0.000 0.000 0.287 526 S C 0.484 174.917 174.600 -0.279 0.000 1.168 526 S CA -0.731 57.309 58.200 -0.266 0.000 0.832 526 S CB 0.974 64.057 63.200 -0.195 0.000 1.166 526 S HN 0.679 nan 8.310 nan 0.000 0.493 527 I N -0.634 119.735 120.570 -0.336 0.000 3.039 527 I HA 0.205 4.375 4.170 -0.000 0.000 0.270 527 I C -0.154 175.576 176.117 -0.644 0.000 1.150 527 I CA 0.590 61.520 61.300 -0.617 0.000 1.448 527 I CB 0.296 37.637 38.000 -1.099 0.000 1.197 527 I HN 0.326 nan 8.210 nan 0.000 0.450 528 W N 0.087 121.328 121.300 -0.099 0.000 2.689 528 W HA 0.296 4.956 4.660 -0.000 0.000 0.340 528 W C -0.849 175.625 176.519 -0.076 0.000 1.060 528 W CA -1.008 56.298 57.345 -0.064 0.000 1.218 528 W CB 1.316 30.730 29.460 -0.077 0.000 1.410 528 W HN -0.218 nan 8.180 nan 0.000 0.528 529 F N 4.111 124.056 119.950 -0.009 0.000 2.423 529 F HA 0.179 4.705 4.527 -0.000 0.000 0.356 529 F C 0.223 175.903 175.800 -0.200 0.000 1.170 529 F CA 0.206 58.037 58.000 -0.282 0.000 1.163 529 F CB -0.189 38.428 39.000 -0.640 0.000 1.318 529 F HN 0.359 nan 8.300 nan 0.000 0.569 530 E N 2.431 122.391 120.200 -0.399 0.000 2.435 530 E HA 0.604 4.954 4.350 -0.000 0.000 0.277 530 E C 0.379 176.811 176.600 -0.281 0.000 1.106 530 E CA -0.808 55.412 56.400 -0.301 0.000 0.868 530 E CB 0.278 29.906 29.700 -0.120 0.000 1.454 530 E HN 0.637 nan 8.360 nan 0.000 0.452 531 G N 1.179 109.883 108.800 -0.159 0.000 2.660 531 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.321 531 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.321 531 G C 0.648 175.521 174.900 -0.045 0.000 1.246 531 G CA 0.933 45.985 45.100 -0.081 0.000 1.000 531 G HN 0.705 nan 8.290 nan 0.000 0.550 532 E N 0.387 120.542 120.200 -0.075 0.000 2.435 532 E HA 0.187 4.537 4.350 -0.000 0.000 0.195 532 E C 2.628 179.148 176.600 -0.134 0.000 1.029 532 E CA 0.538 56.937 56.400 -0.002 0.000 0.865 532 E CB 0.069 29.726 29.700 -0.073 0.000 0.833 532 E HN 0.335 nan 8.360 nan 0.000 0.510 533 V N 1.514 121.249 119.914 -0.299 0.000 2.324 533 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 533 V C -0.953 174.821 176.094 -0.533 0.000 1.060 533 V CA 1.696 63.737 62.300 -0.431 0.000 1.042 533 V CB -1.371 30.140 31.823 -0.520 0.000 0.650 533 V HN 0.205 nan 8.190 nan 0.000 0.450 534 P HA -0.020 nan 4.420 nan 0.000 0.244 534 P C 0.792 177.884 177.300 -0.347 0.000 1.211 534 P CA 1.041 63.802 63.100 -0.566 0.000 0.760 534 P CB -0.257 31.013 31.700 -0.717 0.000 0.961 535 F N -1.265 118.488 119.950 -0.328 0.000 2.704 535 F HA 0.318 4.845 4.527 -0.000 0.000 0.304 535 F C 1.465 177.069 175.800 -0.326 0.000 1.094 535 F CA -0.414 57.346 58.000 -0.399 0.000 1.275 535 F CB -0.168 38.231 39.000 -1.001 0.000 1.073 535 F HN -0.205 nan 8.300 nan 0.000 0.586 536 A N 0.186 122.952 122.820 -0.090 0.000 2.332 536 A HA 0.220 4.540 4.320 -0.000 0.000 0.258 536 A C 0.843 178.417 177.584 -0.017 0.000 1.087 536 A CA -0.316 51.647 52.037 -0.124 0.000 0.802 536 A CB 0.293 19.163 19.000 -0.216 0.000 1.042 536 A HN 0.162 nan 8.150 nan 0.000 0.489 537 D N -0.211 120.037 120.400 -0.252 0.000 2.183 537 D HA 0.099 4.739 4.640 -0.000 0.000 0.205 537 D C 0.206 176.438 176.300 -0.114 0.000 0.962 537 D CA 1.280 55.066 54.000 -0.357 0.000 0.849 537 D CB 0.182 40.364 40.800 -1.031 0.000 0.978 537 D HN 0.324 nan 8.370 nan 0.000 0.488 538 I N 1.263 121.719 120.570 -0.190 0.000 2.533 538 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 538 I C -0.532 175.490 176.117 -0.158 0.000 1.056 538 I CA -0.549 60.711 61.300 -0.067 0.000 1.057 538 I CB 2.356 40.366 38.000 0.017 0.000 1.240 538 I HN -0.239 nan 8.210 nan 0.000 0.423 539 I N 6.490 126.979 120.570 -0.135 0.000 2.406 539 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 539 I C -0.642 175.353 176.117 -0.204 0.000 0.999 539 I CA -0.592 60.591 61.300 -0.195 0.000 1.124 539 I CB 1.995 39.844 38.000 -0.252 0.000 1.289 539 I HN 0.227 nan 8.210 nan 0.000 0.441 540 L N 7.813 128.937 121.223 -0.165 0.000 2.305 540 L HA 0.489 4.829 4.340 -0.000 0.000 0.284 540 L C -2.530 174.302 176.870 -0.063 0.000 1.013 540 L CA -1.922 52.822 54.840 -0.160 0.000 0.819 540 L CB 1.545 43.658 42.059 0.090 0.000 1.227 540 L HN 0.246 nan 8.230 nan 0.000 0.417 541 P HA 0.204 nan 4.420 nan 0.000 0.275 541 P C -0.704 176.675 177.300 0.132 0.000 1.276 541 P CA -0.025 63.085 63.100 0.017 0.000 0.782 541 P CB 1.149 32.860 31.700 0.019 0.000 0.851 542 A N 3.271 126.059 122.820 -0.053 0.000 2.281 542 A HA 0.695 5.015 4.320 -0.000 0.000 0.329 542 A C 0.307 177.794 177.584 -0.161 0.000 1.122 542 A CA -0.422 51.560 52.037 -0.091 0.000 0.850 542 A CB 0.560 19.442 19.000 -0.197 0.000 1.207 542 A HN 0.693 nan 8.150 nan 0.000 0.495 543 C N -0.405 118.822 119.300 -0.121 0.000 2.505 543 C HA 0.917 5.377 4.460 -0.000 0.000 0.358 543 C C 0.888 175.808 174.990 -0.117 0.000 1.226 543 C CA 0.049 58.987 59.018 -0.133 0.000 1.900 543 C CB 0.589 28.299 27.740 -0.049 0.000 2.306 543 C HN 1.177 nan 8.230 nan 0.000 0.512 544 T N -0.285 114.229 114.554 -0.065 0.000 2.788 544 T HA 0.211 4.561 4.350 -0.000 0.000 0.280 544 T C 1.131 175.930 174.700 0.166 0.000 0.984 544 T CA 0.134 62.298 62.100 0.107 0.000 0.972 544 T CB 0.389 69.451 68.868 0.322 0.000 1.039 544 T HN 0.910 nan 8.240 nan 0.000 0.530 545 N N -0.018 118.812 118.700 0.218 0.000 2.573 545 N HA -0.076 4.664 4.740 -0.000 0.000 0.187 545 N C 0.869 176.337 175.510 -0.069 0.000 1.107 545 N CA 0.666 53.753 53.050 0.063 0.000 0.918 545 N CB -0.533 37.961 38.487 0.012 0.000 0.966 545 N HN 0.614 nan 8.380 nan 0.000 0.448 546 F N 0.891 120.861 119.950 0.032 0.000 2.789 546 F HA 0.205 4.732 4.527 -0.000 0.000 0.300 546 F C 1.215 176.966 175.800 -0.082 0.000 1.132 546 F CA 0.205 58.193 58.000 -0.020 0.000 1.404 546 F CB 0.209 39.222 39.000 0.021 0.000 1.114 546 F HN 0.047 nan 8.300 nan 0.000 0.584 547 E N 0.490 120.736 120.200 0.076 0.000 2.569 547 E HA 0.181 4.530 4.350 -0.000 0.000 0.205 547 E C 0.144 176.705 176.600 -0.066 0.000 1.006 547 E CA -0.217 56.180 56.400 -0.006 0.000 0.985 547 E CB 0.373 30.084 29.700 0.017 0.000 1.060 547 E HN 0.340 nan 8.360 nan 0.000 0.460 548 R N -1.111 119.316 120.500 -0.121 0.000 2.733 548 R HA 0.404 4.744 4.340 -0.000 0.000 0.272 548 R C -1.662 174.540 176.300 -0.162 0.000 1.029 548 R CA -1.037 55.000 56.100 -0.105 0.000 0.888 548 R CB 0.501 30.834 30.300 0.054 0.000 1.251 548 R HN -0.104 nan 8.270 nan 0.000 0.464 549 W N 0.755 122.124 121.300 0.115 0.000 2.376 549 W HA 0.539 5.199 4.660 -0.000 0.000 0.322 549 W C 0.099 176.691 176.519 0.122 0.000 1.160 549 W CA 0.542 57.971 57.345 0.140 0.000 1.218 549 W CB 1.087 30.666 29.460 0.199 0.000 1.205 549 W HN 0.486 nan 8.180 nan 0.000 0.559 550 D N 0.877 121.509 120.400 0.388 0.000 2.738 550 D HA 0.466 5.106 4.640 -0.000 0.000 0.308 550 D C -1.806 174.671 176.300 0.295 0.000 1.311 550 D CA -0.685 53.465 54.000 0.249 0.000 0.799 550 D CB 1.908 42.786 40.800 0.130 0.000 1.332 550 D HN 0.373 nan 8.370 nan 0.000 0.441 551 I N 0.470 121.162 120.570 0.204 0.000 2.802 551 I HA 0.622 4.791 4.170 -0.000 0.000 0.298 551 I C -1.360 174.884 176.117 0.212 0.000 1.176 551 I CA -0.051 61.446 61.300 0.328 0.000 1.025 551 I CB 1.657 39.949 38.000 0.487 0.000 1.243 551 I HN 0.590 nan 8.210 nan 0.000 0.424 552 S N 4.047 119.952 115.700 0.342 0.000 2.643 552 S HA 0.457 4.927 4.470 -0.000 0.000 0.266 552 S C -1.454 173.381 174.600 0.391 0.000 1.130 552 S CA -0.903 57.482 58.200 0.308 0.000 0.817 552 S CB 1.653 64.865 63.200 0.019 0.000 1.107 552 S HN 0.821 nan 8.310 nan 0.000 0.471 553 E N 0.279 120.756 120.200 0.462 0.000 2.238 553 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 553 E C -1.249 175.740 176.600 0.648 0.000 0.887 553 E CA -0.959 55.678 56.400 0.395 0.000 0.769 553 E CB 1.013 30.886 29.700 0.288 0.000 1.187 553 E HN 0.530 nan 8.360 nan 0.000 0.416 554 F N 4.018 124.168 119.950 0.334 0.000 2.477 554 F HA 0.041 4.567 4.527 -0.000 0.000 0.392 554 F C 0.956 176.957 175.800 0.336 0.000 1.028 554 F CA 1.191 59.354 58.000 0.272 0.000 1.069 554 F CB -0.911 38.200 39.000 0.184 0.000 0.970 554 F HN 0.773 nan 8.300 nan 0.000 0.540 555 A N 3.755 126.987 122.820 0.687 0.000 2.829 555 A HA -0.330 3.990 4.320 -0.000 0.000 0.267 555 A C 0.809 178.769 177.584 0.628 0.000 1.370 555 A CA 1.076 53.422 52.037 0.516 0.000 0.900 555 A CB -2.566 16.574 19.000 0.233 0.000 1.044 555 A HN 0.775 nan 8.150 nan 0.000 0.691 556 N N -0.293 118.816 118.700 0.682 0.000 2.415 556 N HA 0.308 5.048 4.740 -0.000 0.000 0.250 556 N C 0.856 176.460 175.510 0.157 0.000 1.127 556 N CA 0.325 53.636 53.050 0.434 0.000 0.945 556 N CB 0.441 39.188 38.487 0.435 0.000 1.196 556 N HN 0.648 nan 8.380 nan 0.000 0.499 557 C N 2.723 122.021 119.300 -0.002 0.000 2.520 557 C HA 0.277 4.737 4.460 -0.000 0.000 0.291 557 C C 1.397 176.011 174.990 -0.627 0.000 1.364 557 C CA 1.123 59.764 59.018 -0.629 0.000 1.781 557 C CB -0.981 26.686 27.740 -0.122 0.000 2.171 557 C HN 0.882 nan 8.230 nan 0.000 0.516 558 S N -1.129 114.364 115.700 -0.345 0.000 3.387 558 S HA 0.105 4.575 4.470 -0.000 0.000 0.633 558 S C 1.089 175.305 174.600 -0.640 0.000 2.641 558 S CA 2.193 60.147 58.200 -0.411 0.000 2.931 558 S CB -1.644 61.426 63.200 -0.217 0.000 0.327 558 S HN 2.614 nan 8.310 nan 0.000 1.716 559 G N 0.771 109.142 108.800 -0.714 0.000 2.620 559 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.315 559 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.315 559 G C 0.597 175.123 174.900 -0.623 0.000 1.179 559 G CA 1.471 46.189 45.100 -0.637 0.000 0.971 559 G HN 2.092 nan 8.290 nan 0.000 0.544 560 Y N 0.800 121.043 120.300 -0.095 0.000 2.578 560 Y HA 0.635 5.185 4.550 -0.000 0.000 0.297 560 Y C 1.560 177.401 175.900 -0.099 0.000 1.176 560 Y CA 0.252 58.310 58.100 -0.070 0.000 1.315 560 Y CB -0.222 38.222 38.460 -0.026 0.000 1.031 560 Y HN 0.364 nan 8.280 nan 0.000 0.524 561 I N 1.879 122.381 120.570 -0.113 0.000 2.926 561 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 561 I C -2.810 173.053 176.117 -0.424 0.000 1.463 561 I CA -2.035 59.165 61.300 -0.166 0.000 0.892 561 I CB 0.861 38.855 38.000 -0.010 0.000 1.874 561 I HN -0.211 nan 8.210 nan 0.000 0.620 562 P HA -0.056 nan 4.420 nan 0.000 0.260 562 P C -0.125 176.873 177.300 -0.504 0.000 1.172 562 P CA 0.676 63.248 63.100 -0.880 0.000 0.760 562 P CB 0.220 31.215 31.700 -1.175 0.000 0.773 563 D N 1.501 121.694 120.400 -0.344 0.000 2.708 563 D HA -0.210 4.429 4.640 -0.000 0.000 0.236 563 D C 0.575 176.361 176.300 -0.856 0.000 1.146 563 D CA 1.116 54.783 54.000 -0.555 0.000 0.662 563 D CB -1.714 38.882 40.800 -0.340 0.000 1.059 563 D HN 0.671 nan 8.370 nan 0.000 0.428 564 N N -0.592 117.816 118.700 -0.487 0.000 2.521 564 N HA -0.150 4.589 4.740 -0.000 0.000 0.188 564 N C 1.767 177.145 175.510 -0.221 0.000 1.146 564 N CA 0.213 53.052 53.050 -0.352 0.000 0.893 564 N CB -0.414 37.961 38.487 -0.186 0.000 0.975 564 N HN 0.537 nan 8.380 nan 0.000 0.451 565 Y N 0.155 120.492 120.300 0.061 0.000 2.569 565 Y HA -0.092 4.458 4.550 -0.000 0.000 0.293 565 Y C 1.965 177.898 175.900 0.055 0.000 1.144 565 Y CA 0.273 58.429 58.100 0.094 0.000 1.321 565 Y CB -0.736 37.830 38.460 0.177 0.000 0.982 565 Y HN 0.312 nan 8.280 nan 0.000 0.558 566 Q N 0.873 120.560 119.800 -0.188 0.000 2.557 566 Q HA 0.004 4.344 4.340 -0.000 0.000 0.217 566 Q C 1.241 177.221 176.000 -0.035 0.000 0.978 566 Q CA 0.766 56.565 55.803 -0.007 0.000 0.950 566 Q CB -0.399 28.304 28.738 -0.057 0.000 0.991 566 Q HN 0.634 nan 8.270 nan 0.000 0.533 567 L N 0.041 121.221 121.223 -0.073 0.000 2.341 567 L HA 0.075 4.414 4.340 -0.000 0.000 0.214 567 L C 0.671 177.476 176.870 -0.107 0.000 1.115 567 L CA -0.193 54.590 54.840 -0.096 0.000 0.820 567 L CB 0.246 42.237 42.059 -0.113 0.000 0.944 567 L HN 0.350 nan 8.230 nan 0.000 0.452 568 C N -0.350 118.876 119.300 -0.124 0.000 2.335 568 C HA 0.189 4.648 4.460 -0.000 0.000 0.363 568 C C 1.742 176.781 174.990 0.082 0.000 1.198 568 C CA -0.912 58.002 59.018 -0.173 0.000 2.279 568 C CB 0.892 28.351 27.740 -0.468 0.000 2.334 568 C HN 0.342 nan 8.230 nan 0.000 0.559 569 N N 0.020 118.830 118.700 0.183 0.000 2.457 569 N HA 0.020 4.760 4.740 -0.000 0.000 0.180 569 N C -0.257 175.340 175.510 0.144 0.000 1.050 569 N CA 0.960 54.196 53.050 0.310 0.000 0.906 569 N CB -0.067 38.591 38.487 0.285 0.000 0.968 569 N HN 0.736 nan 8.380 nan 0.000 0.445 570 H N -1.227 118.058 119.070 0.358 0.000 2.996 570 H HA 0.371 4.927 4.556 -0.000 0.000 0.368 570 H C -0.508 174.964 175.328 0.240 0.000 1.185 570 H CA -0.684 55.554 56.048 0.317 0.000 1.160 570 H CB 1.432 31.403 29.762 0.348 0.000 1.820 570 H HN -0.204 nan 8.280 nan 0.000 0.547 571 R N 1.716 122.363 120.500 0.245 0.000 2.216 571 R HA 0.431 4.771 4.340 -0.000 0.000 0.332 571 R C -0.971 175.386 176.300 0.095 0.000 1.056 571 R CA -0.528 55.657 56.100 0.142 0.000 0.901 571 R CB 0.772 31.056 30.300 -0.027 0.000 1.039 571 R HN 0.207 nan 8.270 nan 0.000 0.456 572 V N 6.195 126.240 119.914 0.218 0.000 2.407 572 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 572 V C 0.036 176.228 176.094 0.163 0.000 1.018 572 V CA -0.663 61.740 62.300 0.172 0.000 0.842 572 V CB 1.707 33.684 31.823 0.257 0.000 0.996 572 V HN 0.638 nan 8.190 nan 0.000 0.426 573 I N 4.880 125.516 120.570 0.110 0.000 2.321 573 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 573 I C 0.305 176.656 176.117 0.391 0.000 0.998 573 I CA 0.085 61.416 61.300 0.053 0.000 1.227 573 I CB 1.732 39.574 38.000 -0.264 0.000 1.368 573 I HN 0.733 nan 8.210 nan 0.000 0.466 574 S N 6.380 122.317 115.700 0.396 0.000 2.570 574 S HA 0.657 5.127 4.470 -0.000 0.000 0.286 574 S C -0.847 173.996 174.600 0.404 0.000 1.099 574 S CA -0.929 57.505 58.200 0.391 0.000 0.913 574 S CB 2.175 65.490 63.200 0.192 0.000 1.085 574 S HN 0.470 nan 8.310 nan 0.000 0.480 575 L N 1.838 123.138 121.223 0.129 0.000 2.319 575 L HA 0.397 4.736 4.340 -0.000 0.000 0.280 575 L C -0.147 176.785 176.870 0.102 0.000 1.099 575 L CA 0.225 55.138 54.840 0.121 0.000 0.828 575 L CB 0.636 42.535 42.059 -0.266 0.000 1.150 575 L HN 0.781 nan 8.230 nan 0.000 0.442 576 Q N 5.436 125.342 119.800 0.177 0.000 2.490 576 Q HA 0.460 4.799 4.340 -0.000 0.000 0.226 576 Q C -0.147 175.883 176.000 0.050 0.000 1.132 576 Q CA -0.465 55.367 55.803 0.049 0.000 0.928 576 Q CB 0.841 29.602 28.738 0.039 0.000 1.299 576 Q HN 0.857 nan 8.270 nan 0.000 0.528 577 A N 2.790 125.582 122.820 -0.046 0.000 2.425 577 A HA 0.082 4.402 4.320 -0.000 0.000 0.249 577 A C 0.160 177.427 177.584 -0.528 0.000 1.084 577 A CA -0.258 51.661 52.037 -0.197 0.000 0.781 577 A CB 0.310 19.231 19.000 -0.131 0.000 1.019 577 A HN 0.640 nan 8.150 nan 0.000 0.490 578 K N 2.816 122.463 120.400 -1.255 0.000 2.166 578 K HA 0.168 4.488 4.320 -0.000 0.000 0.273 578 K C 0.451 176.752 176.600 -0.497 0.000 1.095 578 K CA -0.387 55.338 56.287 -0.937 0.000 0.985 578 K CB -0.477 31.172 32.500 -1.418 0.000 1.172 578 K HN 0.731 nan 8.250 nan 0.000 0.401 579 C N 4.362 123.534 119.300 -0.213 0.000 2.446 579 C HA 0.004 4.464 4.460 -0.000 0.000 0.277 579 C C 1.342 176.329 174.990 -0.004 0.000 1.275 579 C CA -0.016 58.972 59.018 -0.049 0.000 1.727 579 C CB -0.994 26.808 27.740 0.103 0.000 2.010 579 C HN 0.846 nan 8.230 nan 0.000 0.486 580 I N -2.974 117.599 120.570 0.006 0.000 3.264 580 I HA 0.579 4.749 4.170 -0.000 0.000 0.315 580 I C -0.935 175.194 176.117 0.021 0.000 1.154 580 I CA -0.743 60.584 61.300 0.044 0.000 0.962 580 I CB 1.004 39.068 38.000 0.107 0.000 1.265 580 I HN -0.200 nan 8.210 nan 0.000 0.463 581 E N 2.005 122.235 120.200 0.051 0.000 2.366 581 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 581 E C -2.379 174.252 176.600 0.050 0.000 1.051 581 E CA -1.588 54.840 56.400 0.047 0.000 0.884 581 E CB 0.295 30.032 29.700 0.063 0.000 1.006 581 E HN 0.404 nan 8.360 nan 0.000 0.417 582 P HA -0.081 nan 4.420 nan 0.000 0.263 582 P C -0.462 176.870 177.300 0.052 0.000 1.175 582 P CA 0.214 63.335 63.100 0.034 0.000 0.761 582 P CB 0.373 32.092 31.700 0.032 0.000 0.794 583 V N 3.920 123.858 119.914 0.039 0.000 2.637 583 V HA 0.362 4.482 4.120 -0.000 0.000 0.296 583 V C 1.393 177.518 176.094 0.051 0.000 1.046 583 V CA 1.194 63.531 62.300 0.061 0.000 1.066 583 V CB -0.124 31.728 31.823 0.049 0.000 0.968 583 V HN 1.067 nan 8.190 nan 0.000 0.483 584 G N 4.785 113.626 108.800 0.068 0.000 2.566 584 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 584 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 584 G C 0.378 175.353 174.900 0.125 0.000 1.225 584 G CA 0.582 45.730 45.100 0.079 0.000 0.966 584 G HN 0.733 nan 8.290 nan 0.000 0.560 585 E N 0.913 121.219 120.200 0.177 0.000 2.423 585 E HA 0.369 4.719 4.350 -0.000 0.000 0.198 585 E C 1.133 177.980 176.600 0.412 0.000 1.038 585 E CA 0.421 57.002 56.400 0.300 0.000 1.011 585 E CB 0.016 29.932 29.700 0.359 0.000 1.118 585 E HN 0.665 nan 8.360 nan 0.000 0.451 586 S N 0.632 116.469 115.700 0.228 0.000 2.614 586 S HA 0.524 4.994 4.470 -0.000 0.000 0.265 586 S C 0.124 174.799 174.600 0.125 0.000 1.303 586 S CA -0.674 57.655 58.200 0.214 0.000 1.000 586 S CB 0.990 64.215 63.200 0.042 0.000 0.935 586 S HN 0.221 nan 8.310 nan 0.000 0.551 587 M N 0.004 119.639 119.600 0.058 0.000 2.644 587 M HA 0.518 4.998 4.480 -0.000 0.000 0.273 587 M C -0.436 175.835 176.300 -0.048 0.000 1.253 587 M CA -0.982 54.277 55.300 -0.069 0.000 0.852 587 M CB 1.654 34.082 32.600 -0.288 0.000 1.708 587 M HN 0.725 nan 8.290 nan 0.000 0.471 588 S N -0.393 115.301 115.700 -0.010 0.000 2.573 588 S HA 0.069 4.539 4.470 -0.000 0.000 0.277 588 S C 0.290 174.900 174.600 0.017 0.000 1.346 588 S CA 0.030 58.259 58.200 0.048 0.000 1.034 588 S CB 0.485 63.770 63.200 0.143 0.000 0.879 588 S HN 0.755 nan 8.310 nan 0.000 0.528 589 D N 0.475 120.905 120.400 0.049 0.000 2.144 589 D HA -0.140 4.499 4.640 -0.000 0.000 0.199 589 D C 1.430 177.691 176.300 -0.065 0.000 0.984 589 D CA 1.539 55.501 54.000 -0.063 0.000 0.834 589 D CB -0.237 40.657 40.800 0.157 0.000 0.955 589 D HN 0.818 nan 8.370 nan 0.000 0.465 590 Y N 1.968 122.338 120.300 0.117 0.000 2.181 590 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 590 Y C 2.217 178.252 175.900 0.225 0.000 1.146 590 Y CA 1.402 59.673 58.100 0.285 0.000 1.164 590 Y CB 0.186 38.814 38.460 0.281 0.000 0.982 590 Y HN -0.200 nan 8.280 nan 0.000 0.515 591 E N 0.387 120.678 120.200 0.150 0.000 2.204 591 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 591 E C 2.266 178.764 176.600 -0.171 0.000 0.989 591 E CA 1.239 57.641 56.400 0.005 0.000 0.824 591 E CB -0.235 29.468 29.700 0.004 0.000 0.756 591 E HN 0.629 nan 8.360 nan 0.000 0.477 592 I N -0.202 120.224 120.570 -0.240 0.000 2.202 592 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 592 I C 2.130 178.155 176.117 -0.153 0.000 1.091 592 I CA 1.112 62.247 61.300 -0.275 0.000 1.368 592 I CB -0.374 37.486 38.000 -0.233 0.000 1.058 592 I HN 0.112 nan 8.210 nan 0.000 0.410 593 Y N 0.320 120.481 120.300 -0.232 0.000 2.293 593 Y HA -0.204 4.346 4.550 -0.000 0.000 0.291 593 Y C 2.811 178.386 175.900 -0.540 0.000 1.137 593 Y CA 0.603 58.272 58.100 -0.719 0.000 1.202 593 Y CB -0.209 37.641 38.460 -1.017 0.000 0.990 593 Y HN 0.065 nan 8.280 nan 0.000 0.537 594 R N 0.357 120.780 120.500 -0.128 0.000 2.115 594 R HA -0.178 4.162 4.340 -0.000 0.000 0.230 594 R C 2.120 178.440 176.300 0.033 0.000 1.111 594 R CA 1.088 57.212 56.100 0.039 0.000 0.976 594 R CB -0.321 29.997 30.300 0.031 0.000 0.870 594 R HN 0.314 nan 8.270 nan 0.000 0.445 595 L N 0.013 121.203 121.223 -0.055 0.000 2.027 595 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 595 L C 1.674 178.520 176.870 -0.040 0.000 1.074 595 L CA 1.702 56.486 54.840 -0.094 0.000 0.745 595 L CB -0.589 41.324 42.059 -0.242 0.000 0.898 595 L HN 0.109 nan 8.230 nan 0.000 0.433 596 F N -0.199 119.762 119.950 0.018 0.000 2.134 596 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 596 F C 2.499 178.416 175.800 0.195 0.000 1.097 596 F CA 1.290 59.370 58.000 0.133 0.000 1.264 596 F CB -0.649 38.440 39.000 0.149 0.000 1.001 596 F HN 0.217 nan 8.300 nan 0.000 0.479 597 A N -0.056 122.969 122.820 0.342 0.000 1.908 597 A HA -0.278 4.041 4.320 -0.000 0.000 0.218 597 A C 2.187 179.905 177.584 0.223 0.000 1.181 597 A CA 2.044 54.256 52.037 0.291 0.000 0.627 597 A CB -0.779 18.357 19.000 0.226 0.000 0.818 597 A HN 0.369 nan 8.150 nan 0.000 0.445 598 K N -0.105 120.401 120.400 0.176 0.000 2.026 598 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 598 K C 1.831 178.508 176.600 0.128 0.000 1.048 598 K CA 1.746 58.113 56.287 0.134 0.000 0.929 598 K CB -0.181 32.375 32.500 0.093 0.000 0.713 598 K HN 0.433 nan 8.250 nan 0.000 0.439 599 K N 0.278 120.762 120.400 0.140 0.000 2.439 599 K HA -0.007 4.312 4.320 -0.000 0.000 0.197 599 K C 1.534 178.236 176.600 0.170 0.000 1.041 599 K CA 0.520 56.891 56.287 0.140 0.000 0.970 599 K CB 0.176 32.755 32.500 0.132 0.000 0.773 599 K HN 0.223 nan 8.250 nan 0.000 0.479 600 L N 0.348 121.692 121.223 0.202 0.000 2.607 600 L HA 0.084 4.424 4.340 -0.000 0.000 0.228 600 L C 0.143 177.085 176.870 0.121 0.000 1.123 600 L CA -0.217 54.726 54.840 0.172 0.000 0.890 600 L CB -0.206 41.976 42.059 0.205 0.000 1.103 600 L HN 0.240 nan 8.230 nan 0.000 0.468 601 N N 1.132 119.905 118.700 0.121 0.000 2.776 601 N HA -0.229 4.510 4.740 -0.000 0.000 0.249 601 N C 0.300 175.870 175.510 0.100 0.000 1.111 601 N CA 1.036 54.146 53.050 0.099 0.000 0.711 601 N CB -1.109 37.425 38.487 0.078 0.000 1.065 601 N HN 0.608 nan 8.380 nan 0.000 0.556 602 I N -3.987 116.660 120.570 0.128 0.000 3.813 602 I HA 0.293 4.463 4.170 -0.000 0.000 0.323 602 I C 1.322 177.564 176.117 0.207 0.000 1.536 602 I CA -0.551 60.831 61.300 0.136 0.000 1.083 602 I CB 0.318 38.380 38.000 0.103 0.000 1.265 602 I HN 0.091 nan 8.210 nan 0.000 0.507 603 E N 2.227 122.550 120.200 0.206 0.000 2.085 603 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 603 E C 1.924 178.681 176.600 0.261 0.000 0.994 603 E CA 2.151 58.706 56.400 0.258 0.000 0.801 603 E CB 0.203 30.020 29.700 0.195 0.000 0.743 603 E HN 0.604 nan 8.360 nan 0.000 0.453 604 E N 0.233 120.545 120.200 0.187 0.000 2.051 604 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 604 E C 1.872 178.584 176.600 0.187 0.000 0.991 604 E CA 1.813 58.310 56.400 0.161 0.000 0.799 604 E CB -0.156 29.610 29.700 0.111 0.000 0.748 604 E HN 0.271 nan 8.360 nan 0.000 0.449 605 M N -0.546 119.166 119.600 0.187 0.000 2.117 605 M HA 0.028 4.508 4.480 -0.000 0.000 0.262 605 M C 1.956 178.423 176.300 0.280 0.000 1.065 605 M CA 1.291 56.705 55.300 0.190 0.000 1.114 605 M CB -0.743 31.938 32.600 0.136 0.000 1.361 605 M HN 0.205 nan 8.290 nan 0.000 0.408 606 F N 0.664 120.730 119.950 0.192 0.000 2.074 606 F HA -0.153 4.374 4.527 -0.000 0.000 0.293 606 F C 2.618 178.655 175.800 0.395 0.000 1.116 606 F CA 1.800 59.947 58.000 0.245 0.000 1.212 606 F CB -0.670 38.464 39.000 0.223 0.000 0.998 606 F HN 0.251 nan 8.300 nan 0.000 0.471 607 S N -0.776 115.049 115.700 0.208 0.000 2.446 607 S HA -0.026 4.443 4.470 -0.000 0.000 0.225 607 S C 0.919 175.689 174.600 0.284 0.000 1.016 607 S CA 0.669 59.034 58.200 0.275 0.000 0.943 607 S CB -0.490 62.914 63.200 0.340 0.000 0.786 607 S HN 0.567 nan 8.310 nan 0.000 0.508 608 E N 0.359 120.683 120.200 0.206 0.000 2.791 608 E HA -0.200 4.149 4.350 -0.000 0.000 0.271 608 E C 0.743 177.339 176.600 -0.006 0.000 1.044 608 E CA 0.292 56.752 56.400 0.101 0.000 0.814 608 E CB -2.166 27.573 29.700 0.065 0.000 1.400 608 E HN 1.034 nan 8.360 nan 0.000 0.423 609 G N 0.223 109.055 108.800 0.054 0.000 2.155 609 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.257 609 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.257 609 G C 0.057 174.934 174.900 -0.038 0.000 0.983 609 G CA 1.048 46.161 45.100 0.022 0.000 0.676 609 G HN 0.275 nan 8.290 nan 0.000 0.528 610 K N 0.804 121.151 120.400 -0.088 0.000 2.164 610 K HA 0.566 4.885 4.320 -0.000 0.000 0.258 610 K C -0.134 176.504 176.600 0.064 0.000 0.951 610 K CA -0.498 55.659 56.287 -0.216 0.000 0.844 610 K CB 1.369 33.381 32.500 -0.814 0.000 1.099 610 K HN 0.327 nan 8.250 nan 0.000 0.435 611 D N 0.168 120.593 120.400 0.042 0.000 2.478 611 D HA 0.066 4.706 4.640 -0.000 0.000 0.263 611 D C 0.500 176.833 176.300 0.055 0.000 1.153 611 D CA -0.555 53.555 54.000 0.184 0.000 1.038 611 D CB 0.545 41.429 40.800 0.141 0.000 1.120 611 D HN 0.497 nan 8.370 nan 0.000 0.564 612 E N -1.185 119.031 120.200 0.027 0.000 2.070 612 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 612 E C 1.780 178.421 176.600 0.069 0.000 1.004 612 E CA 0.760 57.148 56.400 -0.021 0.000 0.805 612 E CB -0.153 29.610 29.700 0.105 0.000 0.744 612 E HN 0.287 nan 8.360 nan 0.000 0.451 613 L N 0.565 121.810 121.223 0.037 0.000 2.083 613 L HA -0.136 4.203 4.340 -0.000 0.000 0.209 613 L C 2.124 178.892 176.870 -0.171 0.000 1.083 613 L CA 1.831 56.630 54.840 -0.069 0.000 0.752 613 L CB -0.703 41.176 42.059 -0.300 0.000 0.899 613 L HN 0.076 nan 8.230 nan 0.000 0.433 614 A N -1.752 120.956 122.820 -0.186 0.000 1.898 614 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 614 A C 2.138 179.544 177.584 -0.295 0.000 1.181 614 A CA 1.607 53.465 52.037 -0.299 0.000 0.620 614 A CB -1.198 17.610 19.000 -0.322 0.000 0.819 614 A HN 0.599 nan 8.150 nan 0.000 0.442 615 W N -0.646 120.533 121.300 -0.203 0.000 2.388 615 W HA -0.175 4.484 4.660 -0.000 0.000 0.294 615 W C 2.585 179.027 176.519 -0.129 0.000 1.212 615 W CA 0.916 58.164 57.345 -0.162 0.000 1.271 615 W CB -0.497 28.847 29.460 -0.193 0.000 1.126 615 W HN 0.355 nan 8.180 nan 0.000 0.535 616 C N -0.651 118.689 119.300 0.067 0.000 2.429 616 C HA -0.208 4.252 4.460 -0.000 0.000 0.277 616 C C 2.520 177.357 174.990 -0.255 0.000 1.262 616 C CA 1.522 60.551 59.018 0.018 0.000 1.733 616 C CB -1.256 26.561 27.740 0.129 0.000 2.010 616 C HN 0.436 nan 8.230 nan 0.000 0.483 617 E N 0.456 120.191 120.200 -0.775 0.000 2.072 617 E HA -0.271 4.078 4.350 -0.000 0.000 0.191 617 E C 2.244 178.631 176.600 -0.356 0.000 0.985 617 E CA 1.176 56.879 56.400 -1.163 0.000 0.801 617 E CB -0.288 28.590 29.700 -1.369 0.000 0.750 617 E HN 0.717 nan 8.360 nan 0.000 0.452 618 Q N -0.583 119.091 119.800 -0.210 0.000 2.084 618 Q HA -0.235 4.104 4.340 -0.000 0.000 0.202 618 Q C 1.996 178.027 176.000 0.051 0.000 0.978 618 Q CA 1.579 57.328 55.803 -0.090 0.000 0.844 618 Q CB -0.287 28.388 28.738 -0.106 0.000 0.898 618 Q HN 0.456 nan 8.270 nan 0.000 0.426 619 Y N 0.156 120.483 120.300 0.045 0.000 2.128 619 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 619 Y C 1.937 177.931 175.900 0.156 0.000 1.154 619 Y CA 2.084 60.276 58.100 0.152 0.000 1.149 619 Y CB -0.504 38.059 38.460 0.172 0.000 0.976 619 Y HN 0.289 nan 8.280 nan 0.000 0.505 620 F N 1.346 121.453 119.950 0.261 0.000 2.091 620 F HA -0.315 4.212 4.527 -0.000 0.000 0.299 620 F C 1.993 177.858 175.800 0.108 0.000 1.103 620 F CA 2.191 60.342 58.000 0.251 0.000 1.228 620 F CB -0.552 38.662 39.000 0.357 0.000 0.984 620 F HN 0.078 nan 8.300 nan 0.000 0.477 621 N N 0.478 119.313 118.700 0.226 0.000 2.512 621 N HA -0.040 4.699 4.740 -0.000 0.000 0.183 621 N C 1.537 177.005 175.510 -0.070 0.000 1.073 621 N CA 0.974 54.068 53.050 0.074 0.000 0.911 621 N CB -0.345 38.190 38.487 0.081 0.000 0.964 621 N HN 0.413 nan 8.380 nan 0.000 0.447 622 A N 0.283 123.037 122.820 -0.110 0.000 2.251 622 A HA 0.069 4.389 4.320 -0.000 0.000 0.209 622 A C 1.311 178.841 177.584 -0.090 0.000 1.187 622 A CA 0.253 52.191 52.037 -0.164 0.000 0.823 622 A CB -0.169 18.635 19.000 -0.326 0.000 0.846 622 A HN 0.343 nan 8.150 nan 0.000 0.486 623 T N -4.263 110.194 114.554 -0.162 0.000 2.876 623 T HA 0.408 4.757 4.350 -0.000 0.000 0.277 623 T C 0.106 174.709 174.700 -0.163 0.000 0.997 623 T CA -0.063 61.925 62.100 -0.187 0.000 0.966 623 T CB 0.816 69.474 68.868 -0.351 0.000 1.312 623 T HN -0.064 nan 8.240 nan 0.000 0.598 624 D N -0.273 119.994 120.400 -0.221 0.000 2.349 624 D HA 0.139 4.779 4.640 -0.000 0.000 0.215 624 D C 1.900 178.194 176.300 -0.010 0.000 1.016 624 D CA 0.164 54.046 54.000 -0.197 0.000 0.870 624 D CB -0.123 40.389 40.800 -0.480 0.000 0.917 624 D HN 0.293 nan 8.370 nan 0.000 0.524 625 M N 0.390 119.947 119.600 -0.071 0.000 2.106 625 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 625 M C -0.815 175.413 176.300 -0.120 0.000 1.068 625 M CA 1.478 56.708 55.300 -0.116 0.000 1.100 625 M CB -2.062 30.073 32.600 -0.776 0.000 1.351 625 M HN -0.041 nan 8.290 nan 0.000 0.404 626 P HA -0.161 nan 4.420 nan 0.000 0.224 626 P C 0.865 178.179 177.300 0.023 0.000 1.142 626 P CA 1.227 64.346 63.100 0.031 0.000 0.778 626 P CB -0.217 31.497 31.700 0.023 0.000 0.764 627 K N -2.630 117.759 120.400 -0.019 0.000 2.432 627 K HA -0.029 4.291 4.320 -0.000 0.000 0.196 627 K C 1.103 177.536 176.600 -0.279 0.000 1.038 627 K CA 0.974 57.176 56.287 -0.141 0.000 0.986 627 K CB -0.098 32.292 32.500 -0.184 0.000 0.782 627 K HN 0.312 nan 8.250 nan 0.000 0.485 628 Y N -0.193 120.098 120.300 -0.014 0.000 2.607 628 Y HA 0.256 4.806 4.550 -0.000 0.000 0.276 628 Y C 0.866 176.715 175.900 -0.084 0.000 1.117 628 Y CA -0.462 57.589 58.100 -0.083 0.000 1.273 628 Y CB 0.749 39.026 38.460 -0.306 0.000 1.282 628 Y HN -0.081 nan 8.280 nan 0.000 0.514 629 M N -0.896 118.769 119.600 0.108 0.000 2.603 629 M HA 0.460 4.940 4.480 -0.000 0.000 0.275 629 M C -0.722 175.746 176.300 0.280 0.000 1.226 629 M CA -0.906 54.478 55.300 0.141 0.000 0.870 629 M CB 1.840 34.492 32.600 0.088 0.000 1.716 629 M HN -0.019 nan 8.290 nan 0.000 0.482 630 T N -1.800 112.884 114.554 0.215 0.000 2.754 630 T HA 0.130 4.480 4.350 -0.000 0.000 0.286 630 T C 0.788 175.585 174.700 0.163 0.000 0.997 630 T CA -0.393 61.859 62.100 0.253 0.000 0.982 630 T CB 1.102 70.058 68.868 0.146 0.000 1.027 630 T HN 0.943 nan 8.240 nan 0.000 0.529 631 W N 1.130 122.343 121.300 -0.145 0.000 2.355 631 W HA -0.175 4.485 4.660 -0.000 0.000 0.309 631 W C 1.035 177.440 176.519 -0.191 0.000 1.206 631 W CA 1.799 58.815 57.345 -0.548 0.000 1.284 631 W CB -0.524 28.706 29.460 -0.383 0.000 1.145 631 W HN 0.699 nan 8.180 nan 0.000 0.502 632 D N 0.524 120.810 120.400 -0.191 0.000 2.104 632 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 632 D C 1.969 178.162 176.300 -0.179 0.000 0.994 632 D CA 2.122 55.982 54.000 -0.233 0.000 0.830 632 D CB -0.676 40.087 40.800 -0.063 0.000 0.959 632 D HN 0.415 nan 8.370 nan 0.000 0.452 633 E N -0.478 119.670 120.200 -0.087 0.000 2.077 633 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 633 E C 1.961 178.517 176.600 -0.073 0.000 0.989 633 E CA 0.469 56.840 56.400 -0.047 0.000 0.800 633 E CB -0.220 29.491 29.700 0.018 0.000 0.746 633 E HN 0.245 nan 8.360 nan 0.000 0.452 634 F N 0.936 120.738 119.950 -0.246 0.000 2.146 634 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 634 F C 2.008 177.600 175.800 -0.346 0.000 1.096 634 F CA 1.096 58.948 58.000 -0.246 0.000 1.275 634 F CB -0.346 38.512 39.000 -0.237 0.000 1.008 634 F HN -0.051 nan 8.300 nan 0.000 0.480 635 F N 1.411 120.881 119.950 -0.800 0.000 2.126 635 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 635 F C 2.540 178.035 175.800 -0.508 0.000 1.096 635 F CA 2.383 59.868 58.000 -0.858 0.000 1.255 635 F CB -0.605 37.769 39.000 -1.045 0.000 0.997 635 F HN -0.017 nan 8.300 nan 0.000 0.479 636 K N 0.353 120.599 120.400 -0.257 0.000 2.057 636 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 636 K C 2.339 178.778 176.600 -0.268 0.000 1.050 636 K CA 1.542 57.707 56.287 -0.203 0.000 0.935 636 K CB -0.224 32.224 32.500 -0.086 0.000 0.715 636 K HN 0.252 nan 8.250 nan 0.000 0.439 637 K N -1.177 119.043 120.400 -0.299 0.000 2.062 637 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 637 K C 1.182 177.580 176.600 -0.336 0.000 1.051 637 K CA 1.477 57.588 56.287 -0.293 0.000 0.941 637 K CB 0.084 32.419 32.500 -0.274 0.000 0.719 637 K HN 0.426 nan 8.250 nan 0.000 0.440 638 G N -0.343 108.138 108.800 -0.532 0.000 2.336 638 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.233 638 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.233 638 G C -0.058 174.673 174.900 -0.281 0.000 1.053 638 G CA 0.650 45.494 45.100 -0.426 0.000 0.625 638 G HN 0.509 nan 8.290 nan 0.000 0.511 639 Y N -1.955 118.200 120.300 -0.241 0.000 2.592 639 Y HA 0.773 5.323 4.550 -0.000 0.000 0.334 639 Y C -1.506 174.529 175.900 0.224 0.000 1.136 639 Y CA -2.478 55.632 58.100 0.018 0.000 1.042 639 Y CB 0.937 39.409 38.460 0.019 0.000 1.325 639 Y HN 0.689 nan 8.280 nan 0.000 0.457 640 F N 2.683 122.757 119.950 0.206 0.000 2.561 640 F HA 0.735 5.262 4.527 -0.000 0.000 0.313 640 F C -1.855 173.920 175.800 -0.041 0.000 1.126 640 F CA -1.343 56.666 58.000 0.015 0.000 0.918 640 F CB 2.016 41.088 39.000 0.121 0.000 1.199 640 F HN 0.512 nan 8.300 nan 0.000 0.444 641 V N 6.744 126.108 119.914 -0.917 0.000 2.333 641 V HA 0.270 4.390 4.120 -0.000 0.000 0.274 641 V C -0.208 175.112 176.094 -1.290 0.000 1.028 641 V CA -0.846 60.938 62.300 -0.861 0.000 0.851 641 V CB 0.993 32.321 31.823 -0.825 0.000 1.000 641 V HN 0.614 nan 8.190 nan 0.000 0.456 642 V N 8.547 127.896 119.914 -0.942 0.000 2.617 642 V HA 0.075 4.195 4.120 -0.000 0.000 0.304 642 V C -1.750 173.993 176.094 -0.584 0.000 1.040 642 V CA -0.789 60.968 62.300 -0.905 0.000 1.149 642 V CB 0.423 31.831 31.823 -0.692 0.000 0.914 642 V HN 0.745 nan 8.190 nan 0.000 0.487 643 P HA 0.130 nan 4.420 nan 0.000 0.272 643 P C -0.565 176.687 177.300 -0.080 0.000 1.230 643 P CA -0.334 62.632 63.100 -0.224 0.000 0.788 643 P CB 0.421 32.060 31.700 -0.102 0.000 0.949 644 D N 0.623 121.027 120.400 0.006 0.000 2.339 644 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 644 D C -0.327 176.014 176.300 0.068 0.000 1.115 644 D CA 0.060 54.102 54.000 0.071 0.000 0.917 644 D CB 0.087 40.959 40.800 0.120 0.000 1.192 644 D HN 0.115 nan 8.370 nan 0.000 0.428 645 N N 2.389 121.127 118.700 0.065 0.000 2.844 645 N HA 0.345 5.085 4.740 -0.000 0.000 0.268 645 N C -2.277 173.263 175.510 0.050 0.000 1.574 645 N CA -1.640 51.450 53.050 0.067 0.000 0.838 645 N CB 1.216 39.749 38.487 0.077 0.000 1.177 645 N HN 0.162 nan 8.380 nan 0.000 0.495 646 P HA -0.067 nan 4.420 nan 0.000 0.224 646 P C 0.278 177.605 177.300 0.045 0.000 1.142 646 P CA 1.023 64.157 63.100 0.058 0.000 0.778 646 P CB 0.293 32.033 31.700 0.067 0.000 0.764 647 N N -0.821 117.906 118.700 0.045 0.000 2.414 647 N HA 0.012 4.752 4.740 -0.000 0.000 0.177 647 N C 0.773 176.306 175.510 0.039 0.000 1.062 647 N CA 0.040 53.115 53.050 0.042 0.000 0.890 647 N CB -0.206 38.308 38.487 0.044 0.000 1.070 647 N HN 0.292 nan 8.380 nan 0.000 0.454 648 R N 2.913 123.438 120.500 0.041 0.000 2.678 648 R HA -0.021 4.319 4.340 -0.000 0.000 0.264 648 R C 0.202 176.527 176.300 0.042 0.000 0.995 648 R CA -0.051 56.077 56.100 0.046 0.000 1.098 648 R CB 0.127 30.458 30.300 0.051 0.000 0.949 648 R HN 0.061 nan 8.270 nan 0.000 0.422 649 K N 2.350 122.779 120.400 0.049 0.000 2.350 649 K HA 0.106 4.426 4.320 -0.000 0.000 0.279 649 K C -0.724 175.916 176.600 0.066 0.000 1.027 649 K CA -0.577 55.740 56.287 0.050 0.000 0.969 649 K CB 0.814 33.342 32.500 0.045 0.000 0.954 649 K HN 0.357 nan 8.250 nan 0.000 0.474 650 K N 2.849 123.288 120.400 0.065 0.000 2.276 650 K HA 0.107 4.427 4.320 -0.000 0.000 0.283 650 K C -0.353 176.310 176.600 0.105 0.000 1.044 650 K CA -0.336 56.002 56.287 0.085 0.000 0.944 650 K CB 1.201 33.738 32.500 0.061 0.000 1.012 650 K HN 0.871 nan 8.250 nan 0.000 0.472 651 T N -1.500 113.138 114.554 0.141 0.000 3.068 651 T HA 0.257 4.607 4.350 -0.000 0.000 0.364 651 T C 0.088 174.904 174.700 0.193 0.000 1.161 651 T CA -0.841 61.347 62.100 0.147 0.000 1.155 651 T CB 0.226 69.156 68.868 0.103 0.000 1.060 651 T HN 0.101 nan 8.240 nan 0.000 0.513 652 V N 2.947 122.962 119.914 0.168 0.000 2.673 652 V HA 0.421 4.540 4.120 -0.000 0.000 0.303 652 V C 1.436 177.654 176.094 0.206 0.000 1.046 652 V CA -0.385 62.006 62.300 0.152 0.000 1.126 652 V CB -0.027 31.852 31.823 0.093 0.000 0.934 652 V HN 1.135 nan 8.190 nan 0.000 0.487 653 A N 5.349 128.286 122.820 0.196 0.000 2.584 653 A HA 0.257 4.577 4.320 -0.000 0.000 0.239 653 A C 1.126 178.800 177.584 0.149 0.000 1.043 653 A CA 0.306 52.478 52.037 0.225 0.000 0.756 653 A CB -0.684 18.383 19.000 0.112 0.000 0.963 653 A HN 1.291 nan 8.150 nan 0.000 0.511 654 L N -0.260 121.039 121.223 0.127 0.000 4.914 654 L HA -0.324 4.016 4.340 -0.000 0.000 0.443 654 L C 2.048 178.767 176.870 -0.251 0.000 1.095 654 L CA 1.343 56.036 54.840 -0.246 0.000 0.975 654 L CB -1.251 40.780 42.059 -0.047 0.000 1.914 654 L HN 0.962 nan 8.230 nan 0.000 0.837 655 R N 1.103 121.588 120.500 -0.024 0.000 2.120 655 R HA -0.168 4.171 4.340 -0.000 0.000 0.234 655 R C 2.230 178.554 176.300 0.040 0.000 1.123 655 R CA 2.102 58.224 56.100 0.037 0.000 0.975 655 R CB -0.197 30.167 30.300 0.107 0.000 0.866 655 R HN 0.762 nan 8.270 nan 0.000 0.446 656 W N -0.427 120.953 121.300 0.132 0.000 2.363 656 W HA -0.200 4.460 4.660 -0.000 0.000 0.296 656 W C 1.503 178.100 176.519 0.129 0.000 1.212 656 W CA 0.243 57.650 57.345 0.104 0.000 1.260 656 W CB -1.271 28.244 29.460 0.091 0.000 1.131 656 W HN 0.034 nan 8.180 nan 0.000 0.530 657 F N 2.855 122.337 119.950 -0.781 0.000 2.146 657 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 657 F C 2.614 178.227 175.800 -0.312 0.000 1.096 657 F CA 2.415 60.005 58.000 -0.684 0.000 1.275 657 F CB -0.857 37.497 39.000 -1.077 0.000 1.008 657 F HN -0.100 nan 8.300 nan 0.000 0.480 658 A N -0.194 122.466 122.820 -0.266 0.000 2.015 658 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 658 A C 1.951 179.417 177.584 -0.197 0.000 1.163 658 A CA 1.727 53.664 52.037 -0.167 0.000 0.646 658 A CB -0.701 18.387 19.000 0.147 0.000 0.806 658 A HN 0.575 nan 8.150 nan 0.000 0.448 659 E N -1.333 118.796 120.200 -0.119 0.000 2.474 659 E HA 0.284 4.634 4.350 -0.000 0.000 0.195 659 E C 0.838 177.391 176.600 -0.078 0.000 1.039 659 E CA 0.134 56.494 56.400 -0.067 0.000 0.881 659 E CB 0.012 29.718 29.700 0.010 0.000 0.970 659 E HN 0.661 nan 8.360 nan 0.000 0.486 660 G N 3.043 111.757 108.800 -0.143 0.000 2.273 660 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.280 660 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.280 660 G C 0.147 175.066 174.900 0.032 0.000 1.047 660 G CA 1.011 46.054 45.100 -0.095 0.000 0.869 660 G HN 0.346 nan 8.290 nan 0.000 0.502 661 R N -1.561 119.016 120.500 0.128 0.000 2.960 661 R HA 0.747 5.087 4.340 -0.000 0.000 0.249 661 R C -0.441 175.995 176.300 0.228 0.000 1.192 661 R CA -1.098 55.087 56.100 0.142 0.000 1.035 661 R CB 0.968 31.334 30.300 0.111 0.000 1.234 661 R HN 0.069 nan 8.270 nan 0.000 0.493 662 E N 1.804 122.071 120.200 0.112 0.000 2.413 662 E HA -0.008 4.342 4.350 -0.000 0.000 0.263 662 E C -0.502 176.041 176.600 -0.096 0.000 1.015 662 E CA -0.097 56.312 56.400 0.015 0.000 0.916 662 E CB 0.532 30.202 29.700 -0.050 0.000 0.947 662 E HN 0.246 nan 8.360 nan 0.000 0.440 663 K N 3.148 123.256 120.400 -0.488 0.000 2.511 663 K HA -0.097 4.223 4.320 -0.000 0.000 0.280 663 K C -0.420 175.789 176.600 -0.651 0.000 1.008 663 K CA 0.389 55.904 56.287 -1.286 0.000 1.050 663 K CB 0.367 31.967 32.500 -1.499 0.000 0.889 663 K HN 0.629 nan 8.250 nan 0.000 0.484 664 D N 1.357 121.439 120.400 -0.531 0.000 2.527 664 D HA -0.018 4.622 4.640 -0.000 0.000 0.224 664 D C 0.354 176.548 176.300 -0.177 0.000 1.217 664 D CA -0.291 53.574 54.000 -0.224 0.000 0.819 664 D CB -0.049 40.718 40.800 -0.056 0.000 1.061 664 D HN 0.493 nan 8.370 nan 0.000 0.515 665 T N -2.419 111.990 114.554 -0.242 0.000 2.824 665 T HA 0.461 4.811 4.350 -0.000 0.000 0.277 665 T C -1.980 172.507 174.700 -0.355 0.000 0.975 665 T CA -1.415 60.531 62.100 -0.258 0.000 0.966 665 T CB 1.668 70.439 68.868 -0.161 0.000 1.054 665 T HN -0.341 nan 8.240 nan 0.000 0.533 666 P HA 0.196 nan 4.420 nan 0.000 0.249 666 P C -0.066 177.166 177.300 -0.113 0.000 1.241 666 P CA -0.014 62.875 63.100 -0.353 0.000 0.781 666 P CB -0.110 31.355 31.700 -0.391 0.000 1.088 667 D N -1.124 119.207 120.400 -0.114 0.000 2.443 667 D HA -0.102 4.538 4.640 -0.000 0.000 0.234 667 D C 0.293 176.720 176.300 0.212 0.000 1.172 667 D CA 0.162 54.318 54.000 0.260 0.000 0.878 667 D CB 0.355 41.386 40.800 0.385 0.000 1.204 667 D HN 0.028 nan 8.370 nan 0.000 0.453 668 W N 1.835 123.003 121.300 -0.219 0.000 3.292 668 W HA 0.344 5.004 4.660 -0.000 0.000 0.263 668 W C 0.894 176.859 176.519 -0.922 0.000 1.318 668 W CA -0.167 56.896 57.345 -0.470 0.000 1.663 668 W CB -0.440 28.664 29.460 -0.594 0.000 1.114 668 W HN 0.358 nan 8.180 nan 0.000 0.706 669 G N -0.628 107.478 108.800 -1.157 0.000 2.608 669 G HA2 0.491 4.451 3.960 -0.000 0.000 0.291 669 G HA3 0.491 4.451 3.960 -0.000 0.000 0.291 669 G C -3.068 171.140 174.900 -1.153 0.000 1.425 669 G CA -1.161 42.774 45.100 -1.942 0.000 0.787 669 G HN -0.425 nan 8.290 nan 0.000 0.484 670 P HA 0.307 nan 4.420 nan 0.000 0.276 670 P C -0.400 176.587 177.300 -0.522 0.000 1.252 670 P CA -0.420 62.180 63.100 -0.833 0.000 0.802 670 P CB 1.240 32.812 31.700 -0.214 0.000 1.035 671 R N 0.737 121.022 120.500 -0.357 0.000 2.643 671 R HA 0.154 4.494 4.340 -0.000 0.000 0.270 671 R C 1.786 177.987 176.300 -0.165 0.000 1.061 671 R CA -0.417 55.551 56.100 -0.220 0.000 1.107 671 R CB 0.043 30.269 30.300 -0.124 0.000 0.999 671 R HN 0.480 nan 8.270 nan 0.000 0.460 672 L N 2.014 123.149 121.223 -0.146 0.000 2.081 672 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 672 L C 1.819 178.641 176.870 -0.080 0.000 1.080 672 L CA 2.099 56.869 54.840 -0.117 0.000 0.754 672 L CB -0.658 41.334 42.059 -0.111 0.000 0.893 672 L HN 0.760 nan 8.230 nan 0.000 0.433 673 N N -1.010 117.651 118.700 -0.066 0.000 2.512 673 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 673 N C 1.058 176.549 175.510 -0.031 0.000 1.073 673 N CA 0.928 53.954 53.050 -0.041 0.000 0.911 673 N CB -0.349 38.121 38.487 -0.030 0.000 0.964 673 N HN 0.377 nan 8.380 nan 0.000 0.447 674 N N -0.834 117.841 118.700 -0.041 0.000 2.268 674 N HA 0.123 4.863 4.740 -0.000 0.000 0.204 674 N C -0.693 174.807 175.510 -0.017 0.000 1.124 674 N CA -0.105 52.931 53.050 -0.023 0.000 0.838 674 N CB 0.352 38.828 38.487 -0.018 0.000 0.994 674 N HN 0.318 nan 8.380 nan 0.000 0.489 675 Q N -0.215 119.570 119.800 -0.026 0.000 2.495 675 Q HA 0.483 4.823 4.340 -0.000 0.000 0.287 675 Q C -1.344 174.652 176.000 -0.007 0.000 1.078 675 Q CA -0.865 54.933 55.803 -0.008 0.000 0.793 675 Q CB 2.992 31.713 28.738 -0.028 0.000 1.459 675 Q HN -0.109 nan 8.270 nan 0.000 0.422 676 V N 0.997 120.918 119.914 0.010 0.000 2.357 676 V HA 0.134 4.254 4.120 -0.000 0.000 0.284 676 V C -0.120 175.977 176.094 0.004 0.000 1.018 676 V CA -0.438 61.865 62.300 0.006 0.000 0.841 676 V CB 1.104 32.937 31.823 0.016 0.000 0.991 676 V HN 1.080 nan 8.190 nan 0.000 0.437 677 C N 5.329 124.622 119.300 -0.012 0.000 4.365 677 C HA -0.150 4.310 4.460 -0.000 0.000 0.299 677 C C 1.443 176.419 174.990 -0.024 0.000 1.409 677 C CA 0.831 59.838 59.018 -0.018 0.000 2.007 677 C CB -2.400 25.337 27.740 -0.006 0.000 1.264 677 C HN 1.207 nan 8.230 nan 0.000 0.777 678 R N -1.680 118.795 120.500 -0.042 0.000 3.387 678 R HA -0.242 4.097 4.340 -0.000 0.000 0.254 678 R C -0.479 175.797 176.300 -0.040 0.000 1.006 678 R CA 1.757 57.812 56.100 -0.075 0.000 0.677 678 R CB -1.795 28.430 30.300 -0.124 0.000 1.063 678 R HN 0.780 nan 8.270 nan 0.000 0.453 679 K N 0.187 120.615 120.400 0.047 0.000 2.385 679 K HA 0.702 5.022 4.320 -0.000 0.000 0.248 679 K C 0.369 177.116 176.600 0.245 0.000 0.955 679 K CA -0.402 55.987 56.287 0.169 0.000 0.816 679 K CB 2.188 34.765 32.500 0.128 0.000 1.250 679 K HN 0.395 nan 8.250 nan 0.000 0.434 680 G N 0.778 109.851 108.800 0.455 0.000 2.795 680 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.664 680 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.664 680 G C -0.597 174.522 174.900 0.366 0.000 1.381 680 G CA -0.928 44.434 45.100 0.437 0.000 0.853 680 G HN 0.393 nan 8.290 nan 0.000 0.545 681 L N -0.010 121.301 121.223 0.148 0.000 2.479 681 L HA 0.373 4.712 4.340 -0.000 0.000 0.249 681 L C 2.213 179.087 176.870 0.008 0.000 1.178 681 L CA 0.050 54.861 54.840 -0.048 0.000 0.811 681 L CB 0.671 42.580 42.059 -0.250 0.000 1.187 681 L HN 0.880 nan 8.230 nan 0.000 0.480 682 Q N 0.165 119.948 119.800 -0.028 0.000 2.369 682 Q HA -0.064 4.276 4.340 -0.000 0.000 0.206 682 Q C 0.504 176.509 176.000 0.009 0.000 0.963 682 Q CA 0.647 56.463 55.803 0.022 0.000 0.894 682 Q CB 0.051 28.853 28.738 0.106 0.000 0.965 682 Q HN 0.832 nan 8.270 nan 0.000 0.475 683 T N -2.320 112.236 114.554 0.003 0.000 2.855 683 T HA 0.019 4.369 4.350 -0.000 0.000 0.314 683 T C 1.067 175.775 174.700 0.014 0.000 1.077 683 T CA 0.182 62.293 62.100 0.018 0.000 1.095 683 T CB 1.023 69.914 68.868 0.039 0.000 0.987 683 T HN 0.050 nan 8.240 nan 0.000 0.546 684 T N 1.764 116.321 114.554 0.005 0.000 2.624 684 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 684 T C 2.272 176.962 174.700 -0.017 0.000 1.041 684 T CA 2.404 64.499 62.100 -0.007 0.000 1.159 684 T CB -1.041 67.817 68.868 -0.017 0.000 0.863 684 T HN 1.004 nan 8.240 nan 0.000 0.434 685 T N -1.247 113.279 114.554 -0.048 0.000 3.055 685 T HA 0.285 4.635 4.350 -0.000 0.000 0.265 685 T C 1.839 176.564 174.700 0.042 0.000 1.111 685 T CA 1.111 63.187 62.100 -0.040 0.000 1.118 685 T CB -0.362 68.429 68.868 -0.128 0.000 0.909 685 T HN 0.635 nan 8.240 nan 0.000 0.501 686 G N 1.120 109.959 108.800 0.064 0.000 2.179 686 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 686 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 686 G C -0.020 175.007 174.900 0.212 0.000 0.977 686 G CA 0.451 45.623 45.100 0.120 0.000 0.641 686 G HN 0.716 nan 8.290 nan 0.000 0.533 687 K N -0.755 119.761 120.400 0.194 0.000 2.313 687 K HA 0.702 5.022 4.320 -0.000 0.000 0.235 687 K C 0.070 176.821 176.600 0.251 0.000 1.035 687 K CA -1.030 55.438 56.287 0.302 0.000 0.868 687 K CB 2.158 34.823 32.500 0.275 0.000 1.232 687 K HN 0.003 nan 8.250 nan 0.000 0.459 688 V N 2.366 122.474 119.914 0.325 0.000 2.439 688 V HA 0.016 4.136 4.120 -0.000 0.000 0.271 688 V C -0.211 176.033 176.094 0.250 0.000 1.040 688 V CA 0.169 62.601 62.300 0.221 0.000 1.002 688 V CB 0.169 32.132 31.823 0.233 0.000 1.000 688 V HN 0.602 nan 8.190 nan 0.000 0.477 689 E N 4.654 124.943 120.200 0.148 0.000 2.014 689 E HA 0.247 4.596 4.350 -0.000 0.000 0.275 689 E C -0.092 176.570 176.600 0.103 0.000 0.997 689 E CA -0.273 56.279 56.400 0.253 0.000 0.804 689 E CB 0.632 30.477 29.700 0.242 0.000 1.090 689 E HN 0.607 nan 8.360 nan 0.000 0.401 690 F N 1.445 121.421 119.950 0.043 0.000 2.293 690 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 690 F C 1.066 176.888 175.800 0.036 0.000 1.086 690 F CA 0.721 58.666 58.000 -0.092 0.000 1.375 690 F CB 0.183 39.060 39.000 -0.204 0.000 1.045 690 F HN 0.343 nan 8.300 nan 0.000 0.516 691 I N 0.543 121.277 120.570 0.273 0.000 2.405 691 I HA 0.319 4.489 4.170 -0.000 0.000 0.280 691 I C -0.061 176.204 176.117 0.247 0.000 1.027 691 I CA -0.897 60.536 61.300 0.221 0.000 1.161 691 I CB 0.833 38.941 38.000 0.181 0.000 1.300 691 I HN -0.177 nan 8.210 nan 0.000 0.463 692 A N 4.150 127.074 122.820 0.173 0.000 2.491 692 A HA 0.214 4.534 4.320 -0.000 0.000 0.261 692 A C 1.530 179.208 177.584 0.156 0.000 1.101 692 A CA 0.130 52.263 52.037 0.159 0.000 0.772 692 A CB 0.042 19.119 19.000 0.129 0.000 1.043 692 A HN 0.861 nan 8.150 nan 0.000 0.501 693 T N 0.617 115.259 114.554 0.147 0.000 2.821 693 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 693 T C 1.964 176.729 174.700 0.109 0.000 1.046 693 T CA 1.764 63.933 62.100 0.116 0.000 1.139 693 T CB -0.712 68.188 68.868 0.053 0.000 0.871 693 T HN 1.018 nan 8.240 nan 0.000 0.454 694 S N 2.520 118.290 115.700 0.117 0.000 2.356 694 S HA 0.004 4.474 4.470 -0.000 0.000 0.223 694 S C 2.121 176.777 174.600 0.094 0.000 1.032 694 S CA 1.054 59.326 58.200 0.120 0.000 1.005 694 S CB -1.047 62.274 63.200 0.201 0.000 0.867 694 S HN 0.503 nan 8.310 nan 0.000 0.449 695 L N 1.252 122.501 121.223 0.042 0.000 2.141 695 L HA 0.032 4.371 4.340 -0.000 0.000 0.209 695 L C 2.874 179.833 176.870 0.148 0.000 1.094 695 L CA 1.319 56.183 54.840 0.041 0.000 0.763 695 L CB -0.434 41.590 42.059 -0.057 0.000 0.908 695 L HN 0.376 nan 8.230 nan 0.000 0.437 696 K N 0.683 121.159 120.400 0.126 0.000 2.057 696 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 696 K C 1.743 178.419 176.600 0.128 0.000 1.050 696 K CA 1.544 57.905 56.287 0.123 0.000 0.935 696 K CB -0.010 32.563 32.500 0.121 0.000 0.715 696 K HN 0.386 nan 8.250 nan 0.000 0.439 697 N N -0.386 118.397 118.700 0.138 0.000 2.084 697 N HA -0.176 4.563 4.740 -0.000 0.000 0.190 697 N C 1.692 177.317 175.510 0.191 0.000 1.030 697 N CA 1.122 54.256 53.050 0.139 0.000 0.849 697 N CB -0.186 38.380 38.487 0.131 0.000 1.012 697 N HN 0.077 nan 8.380 nan 0.000 0.423 698 F N 2.619 122.587 119.950 0.030 0.000 2.095 698 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 698 F C 2.342 178.202 175.800 0.101 0.000 1.104 698 F CA 1.542 59.557 58.000 0.025 0.000 1.232 698 F CB -0.395 38.565 39.000 -0.066 0.000 0.987 698 F HN 0.142 nan 8.300 nan 0.000 0.475 699 E N -0.567 119.690 120.200 0.095 0.000 2.150 699 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 699 E C 1.772 178.360 176.600 -0.020 0.000 0.985 699 E CA 1.486 57.882 56.400 -0.007 0.000 0.814 699 E CB -0.776 28.959 29.700 0.058 0.000 0.752 699 E HN 0.566 nan 8.360 nan 0.000 0.466 700 E N 0.904 121.119 120.200 0.025 0.000 2.274 700 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 700 E C 1.676 178.269 176.600 -0.012 0.000 0.996 700 E CA 0.530 56.938 56.400 0.012 0.000 0.840 700 E CB 0.023 29.747 29.700 0.039 0.000 0.772 700 E HN 0.374 nan 8.360 nan 0.000 0.491 701 Q N -0.578 119.221 119.800 -0.002 0.000 2.444 701 Q HA 0.061 4.400 4.340 -0.000 0.000 0.206 701 Q C 0.915 176.803 176.000 -0.186 0.000 0.948 701 Q CA 0.453 56.247 55.803 -0.015 0.000 0.946 701 Q CB 0.736 29.552 28.738 0.130 0.000 1.027 701 Q HN 0.395 nan 8.270 nan 0.000 0.513 702 G N -0.155 108.511 108.800 -0.224 0.000 2.179 702 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 702 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 702 G C -0.313 174.294 174.900 -0.488 0.000 0.990 702 G CA -0.526 44.371 45.100 -0.339 0.000 0.646 702 G HN 0.374 nan 8.290 nan 0.000 0.517 703 Y N 1.987 121.981 120.300 -0.510 0.000 2.636 703 Y HA 0.446 4.996 4.550 -0.000 0.000 0.334 703 Y C 1.025 176.714 175.900 -0.352 0.000 1.286 703 Y CA -0.988 56.670 58.100 -0.737 0.000 1.688 703 Y CB 0.086 37.319 38.460 -2.045 0.000 1.662 703 Y HN 0.077 nan 8.280 nan 0.000 0.465 704 I N 2.333 122.912 120.570 0.015 0.000 2.533 704 I HA 0.041 4.211 4.170 -0.000 0.000 0.284 704 I C 0.098 176.360 176.117 0.242 0.000 1.109 704 I CA 0.067 61.425 61.300 0.097 0.000 1.412 704 I CB 0.684 38.711 38.000 0.045 0.000 1.396 704 I HN 0.447 nan 8.210 nan 0.000 0.543 705 D N 5.487 126.028 120.400 0.236 0.000 2.386 705 D HA 0.076 4.716 4.640 -0.000 0.000 0.247 705 D C 0.812 177.217 176.300 0.174 0.000 1.336 705 D CA -0.357 53.801 54.000 0.263 0.000 0.976 705 D CB 1.055 42.117 40.800 0.437 0.000 1.257 705 D HN 0.666 nan 8.370 nan 0.000 0.570 706 E N 2.075 122.346 120.200 0.120 0.000 2.130 706 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 706 E C 0.175 176.727 176.600 -0.080 0.000 0.998 706 E CA 1.263 57.667 56.400 0.007 0.000 0.806 706 E CB 0.110 29.787 29.700 -0.038 0.000 0.738 706 E HN 0.519 nan 8.360 nan 0.000 0.459 707 H N -0.766 118.379 119.070 0.125 0.000 2.538 707 H HA 0.261 4.817 4.556 -0.000 0.000 0.286 707 H C 0.078 175.500 175.328 0.156 0.000 1.035 707 H CA 0.286 56.429 56.048 0.158 0.000 1.169 707 H CB 0.283 30.181 29.762 0.227 0.000 1.417 707 H HN -0.088 nan 8.280 nan 0.000 0.567 708 R N 1.353 121.975 120.500 0.203 0.000 2.797 708 R HA 0.136 4.476 4.340 -0.000 0.000 0.230 708 R C -3.234 173.154 176.300 0.146 0.000 1.591 708 R CA -1.421 54.789 56.100 0.184 0.000 1.501 708 R CB 0.654 31.087 30.300 0.221 0.000 1.524 708 R HN 0.111 nan 8.270 nan 0.000 0.711 709 P HA 0.055 nan 4.420 nan 0.000 0.274 709 P C 0.655 178.007 177.300 0.086 0.000 1.231 709 P CA -0.005 63.145 63.100 0.083 0.000 0.790 709 P CB 1.511 33.236 31.700 0.041 0.000 0.951 710 S N 2.244 117.995 115.700 0.085 0.000 2.399 710 S HA -0.112 4.357 4.470 -0.000 0.000 0.231 710 S C 1.148 175.811 174.600 0.105 0.000 1.022 710 S CA 0.618 58.872 58.200 0.089 0.000 0.983 710 S CB -0.529 62.730 63.200 0.100 0.000 0.803 710 S HN 0.602 nan 8.310 nan 0.000 0.480 711 M N 2.363 122.024 119.600 0.101 0.000 2.264 711 M HA 0.286 4.766 4.480 -0.000 0.000 0.352 711 M C -0.450 175.954 176.300 0.173 0.000 1.173 711 M CA -0.651 54.734 55.300 0.142 0.000 1.075 711 M CB 0.932 33.596 32.600 0.106 0.000 1.621 711 M HN 0.341 nan 8.290 nan 0.000 0.457 712 H N 4.091 123.258 119.070 0.162 0.000 3.082 712 H HA 0.293 4.848 4.556 -0.000 0.000 0.275 712 H C -0.917 174.700 175.328 0.481 0.000 1.032 712 H CA 0.748 56.938 56.048 0.236 0.000 1.477 712 H CB 0.098 29.909 29.762 0.081 0.000 1.520 712 H HN 0.735 nan 8.280 nan 0.000 0.521 713 T N 1.508 116.125 114.554 0.104 0.000 2.804 713 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 713 T C -0.785 174.069 174.700 0.257 0.000 1.099 713 T CA -1.025 60.987 62.100 -0.147 0.000 1.011 713 T CB 0.565 69.068 68.868 -0.608 0.000 1.291 713 T HN 0.463 nan 8.240 nan 0.000 0.523 714 Y N 1.772 122.065 120.300 -0.012 0.000 2.636 714 Y HA 0.512 5.061 4.550 -0.000 0.000 0.341 714 Y C -0.538 175.503 175.900 0.235 0.000 1.169 714 Y CA -0.887 57.351 58.100 0.230 0.000 1.498 714 Y CB -0.439 38.020 38.460 -0.001 0.000 1.362 714 Y HN 0.505 nan 8.280 nan 0.000 0.494 715 V N 8.923 128.836 119.914 -0.000 0.000 2.408 715 V HA 0.224 4.343 4.120 -0.000 0.000 0.267 715 V C -1.985 173.989 176.094 -0.199 0.000 1.047 715 V CA -1.982 60.275 62.300 -0.071 0.000 0.937 715 V CB 0.667 32.501 31.823 0.018 0.000 0.999 715 V HN 0.651 nan 8.190 nan 0.000 0.472 716 P HA 0.127 nan 4.420 nan 0.000 0.265 716 P C -0.166 177.137 177.300 0.004 0.000 1.193 716 P CA 0.097 62.984 63.100 -0.355 0.000 0.765 716 P CB 0.492 31.783 31.700 -0.683 0.000 0.823 717 A N 5.010 127.877 122.820 0.078 0.000 2.524 717 A HA 0.019 4.339 4.320 -0.000 0.000 0.250 717 A C 1.289 178.921 177.584 0.081 0.000 1.078 717 A CA -0.489 51.560 52.037 0.020 0.000 0.761 717 A CB -0.403 18.556 19.000 -0.069 0.000 1.012 717 A HN 0.845 nan 8.150 nan 0.000 0.500 718 W N 1.726 123.101 121.300 0.125 0.000 2.721 718 W HA 0.039 4.699 4.660 -0.000 0.000 0.245 718 W C 0.101 176.658 176.519 0.063 0.000 1.276 718 W CA 0.701 58.092 57.345 0.076 0.000 1.342 718 W CB -0.199 29.202 29.460 -0.098 0.000 1.135 718 W HN 0.748 nan 8.180 nan 0.000 0.654 719 E N 2.115 122.312 120.200 -0.005 0.000 3.374 719 E HA 0.189 4.538 4.350 -0.000 0.000 0.223 719 E C -0.668 175.905 176.600 -0.044 0.000 1.210 719 E CA -0.185 56.234 56.400 0.032 0.000 0.987 719 E CB 0.295 29.943 29.700 -0.086 0.000 1.322 719 E HN 0.062 nan 8.360 nan 0.000 0.404 720 S N 0.734 116.457 115.700 0.040 0.000 2.632 720 S HA 0.288 4.758 4.470 -0.000 0.000 0.289 720 S C 0.866 175.482 174.600 0.026 0.000 1.115 720 S CA -0.790 57.419 58.200 0.016 0.000 0.889 720 S CB 1.657 64.897 63.200 0.067 0.000 1.116 720 S HN 0.321 nan 8.310 nan 0.000 0.486 721 Q N 0.710 120.499 119.800 -0.017 0.000 2.167 721 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 721 Q C 1.647 177.606 176.000 -0.069 0.000 0.970 721 Q CA 1.544 57.328 55.803 -0.031 0.000 0.855 721 Q CB -0.330 28.381 28.738 -0.045 0.000 0.911 721 Q HN 0.874 nan 8.270 nan 0.000 0.438 722 K N -1.359 118.950 120.400 -0.153 0.000 2.355 722 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 722 K C 0.882 177.276 176.600 -0.343 0.000 1.039 722 K CA 0.324 56.446 56.287 -0.275 0.000 1.075 722 K CB 0.498 32.761 32.500 -0.396 0.000 0.870 722 K HN 0.140 nan 8.250 nan 0.000 0.540 723 H N -0.256 118.852 119.070 0.064 0.000 3.058 723 H HA 0.175 4.731 4.556 -0.000 0.000 0.258 723 H C -0.121 175.273 175.328 0.111 0.000 1.015 723 H CA -0.142 55.964 56.048 0.096 0.000 1.210 723 H CB 1.071 30.908 29.762 0.125 0.000 1.481 723 H HN 0.108 nan 8.280 nan 0.000 0.492 724 S N 1.957 117.773 115.700 0.193 0.000 2.499 724 S HA 0.182 4.652 4.470 -0.000 0.000 0.279 724 S C -1.612 173.061 174.600 0.122 0.000 1.219 724 S CA -1.367 56.939 58.200 0.177 0.000 1.062 724 S CB 1.466 64.772 63.200 0.176 0.000 0.978 724 S HN -0.066 nan 8.310 nan 0.000 0.489 725 P HA -0.031 nan 4.420 nan 0.000 0.220 725 P C 1.188 178.525 177.300 0.062 0.000 1.148 725 P CA 0.349 63.495 63.100 0.078 0.000 0.803 725 P CB 0.154 31.899 31.700 0.076 0.000 0.782 726 L N -0.636 120.646 121.223 0.099 0.000 2.291 726 L HA 0.026 4.366 4.340 -0.000 0.000 0.214 726 L C 2.146 179.063 176.870 0.077 0.000 1.120 726 L CA 1.104 56.016 54.840 0.120 0.000 0.799 726 L CB -1.544 40.647 42.059 0.220 0.000 0.925 726 L HN -0.112 nan 8.230 nan 0.000 0.446 727 A N -0.923 121.935 122.820 0.065 0.000 2.070 727 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 727 A C 2.241 179.812 177.584 -0.022 0.000 1.159 727 A CA 1.677 53.734 52.037 0.033 0.000 0.656 727 A CB -0.944 18.070 19.000 0.023 0.000 0.800 727 A HN 0.384 nan 8.150 nan 0.000 0.453 728 V N -3.102 116.783 119.914 -0.048 0.000 2.667 728 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 728 V C 1.854 177.867 176.094 -0.136 0.000 1.065 728 V CA 2.199 64.456 62.300 -0.071 0.000 1.083 728 V CB -0.495 31.296 31.823 -0.054 0.000 0.692 728 V HN 0.457 nan 8.190 nan 0.000 0.468 729 K N -0.998 119.243 120.400 -0.265 0.000 2.244 729 K HA 0.194 4.514 4.320 -0.000 0.000 0.200 729 K C -0.239 176.007 176.600 -0.590 0.000 1.052 729 K CA 0.403 56.385 56.287 -0.508 0.000 0.980 729 K CB 0.294 32.280 32.500 -0.856 0.000 0.838 729 K HN 0.583 nan 8.250 nan 0.000 0.481 730 Y N 0.959 121.239 120.300 -0.034 0.000 2.805 730 Y HA 0.216 4.766 4.550 -0.000 0.000 0.339 730 Y C -1.992 173.871 175.900 -0.063 0.000 1.012 730 Y CA -2.960 55.089 58.100 -0.085 0.000 1.262 730 Y CB 1.005 39.408 38.460 -0.095 0.000 1.100 730 Y HN 0.029 nan 8.280 nan 0.000 0.559 731 P HA -0.080 nan 4.420 nan 0.000 0.225 731 P C 0.060 177.362 177.300 0.004 0.000 1.156 731 P CA 0.902 64.007 63.100 0.008 0.000 0.787 731 P CB 0.963 32.657 31.700 -0.010 0.000 0.802 732 L N 0.401 121.626 121.223 0.003 0.000 2.290 732 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 732 L C 1.085 177.945 176.870 -0.017 0.000 1.078 732 L CA -0.719 54.113 54.840 -0.012 0.000 0.815 732 L CB 0.947 42.991 42.059 -0.025 0.000 1.162 732 L HN -0.098 nan 8.230 nan 0.000 0.435 733 G N 4.315 113.104 108.800 -0.018 0.000 2.320 733 G HA2 0.501 4.461 3.960 -0.000 0.000 0.300 733 G HA3 0.501 4.461 3.960 -0.000 0.000 0.300 733 G C -0.645 174.238 174.900 -0.027 0.000 1.126 733 G CA -0.470 44.615 45.100 -0.025 0.000 0.896 733 G HN 0.565 nan 8.290 nan 0.000 0.436 734 M N 3.686 123.261 119.600 -0.042 0.000 2.364 734 M HA 0.699 5.179 4.480 -0.000 0.000 0.334 734 M C -0.953 175.313 176.300 -0.057 0.000 1.107 734 M CA -1.026 54.243 55.300 -0.052 0.000 0.988 734 M CB 1.765 34.322 32.600 -0.071 0.000 1.673 734 M HN 0.477 nan 8.290 nan 0.000 0.441 735 L N 2.695 123.878 121.223 -0.067 0.000 2.362 735 L HA 0.856 5.196 4.340 -0.000 0.000 0.271 735 L C -0.886 175.872 176.870 -0.188 0.000 1.002 735 L CA -0.561 54.236 54.840 -0.072 0.000 0.818 735 L CB 2.161 44.222 42.059 0.002 0.000 1.298 735 L HN 0.772 nan 8.230 nan 0.000 0.420 736 S N 0.935 116.558 115.700 -0.128 0.000 2.216 736 S HA 0.562 5.032 4.470 -0.000 0.000 0.156 736 S C -2.656 171.961 174.600 0.028 0.000 1.665 736 S CA -1.061 57.059 58.200 -0.133 0.000 1.262 736 S CB 0.375 63.537 63.200 -0.063 0.000 1.207 736 S HN 0.548 nan 8.310 nan 0.000 0.427 737 P HA 0.184 nan 4.420 nan 0.000 0.288 737 P C -0.162 177.432 177.300 0.490 0.000 1.291 737 P CA -0.411 62.880 63.100 0.319 0.000 0.766 737 P CB 0.248 32.158 31.700 0.349 0.000 1.242 738 H N 0.393 119.546 119.070 0.139 0.000 2.764 738 H HA 0.105 4.661 4.556 -0.000 0.000 0.341 738 H C -1.654 173.506 175.328 -0.281 0.000 1.072 738 H CA -1.730 54.290 56.048 -0.046 0.000 1.444 738 H CB -0.224 29.418 29.762 -0.201 0.000 1.458 738 H HN 0.334 nan 8.280 nan 0.000 0.572 739 P HA -0.085 nan 4.420 nan 0.000 0.261 739 P C 0.629 177.587 177.300 -0.571 0.000 1.183 739 P CA 0.002 62.831 63.100 -0.452 0.000 0.761 739 P CB 1.013 32.737 31.700 0.040 0.000 0.785 740 R N 4.163 124.113 120.500 -0.916 0.000 2.081 740 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 740 R C 0.975 176.872 176.300 -0.672 0.000 1.131 740 R CA 1.832 57.461 56.100 -0.785 0.000 0.960 740 R CB -1.015 28.694 30.300 -0.985 0.000 0.856 740 R HN 0.440 nan 8.270 nan 0.000 0.436 741 F N -0.171 119.733 119.950 -0.076 0.000 2.750 741 F HA 0.461 4.988 4.527 -0.000 0.000 0.297 741 F C -0.005 175.801 175.800 0.011 0.000 1.138 741 F CA -0.269 57.706 58.000 -0.041 0.000 1.346 741 F CB 0.532 39.422 39.000 -0.184 0.000 0.965 741 F HN -0.062 nan 8.300 nan 0.000 0.514 742 S N 0.649 116.429 115.700 0.133 0.000 2.552 742 S HA 0.441 4.911 4.470 -0.000 0.000 0.272 742 S C -1.159 173.119 174.600 -0.536 0.000 1.150 742 S CA -0.687 57.461 58.200 -0.088 0.000 0.849 742 S CB 1.228 64.434 63.200 0.010 0.000 1.113 742 S HN 0.035 nan 8.310 nan 0.000 0.458 743 M N 5.451 124.482 119.600 -0.947 0.000 2.664 743 M HA 0.326 4.806 4.480 -0.000 0.000 0.332 743 M C 0.322 176.390 176.300 -0.386 0.000 1.354 743 M CA 0.752 55.523 55.300 -0.881 0.000 1.399 743 M CB -1.754 30.317 32.600 -0.882 0.000 1.224 743 M HN 0.952 nan 8.290 nan 0.000 0.479 744 H N 0.315 119.219 119.070 -0.277 0.000 1.452 744 H HA -0.257 4.299 4.556 -0.000 0.000 0.090 744 H C 1.206 176.451 175.328 -0.138 0.000 0.973 744 H CA 2.461 58.392 56.048 -0.194 0.000 1.901 744 H CB -1.405 28.256 29.762 -0.168 0.000 2.257 744 H HN 0.619 nan 8.280 nan 0.000 0.961 745 T N 0.229 114.804 114.554 0.035 0.000 3.072 745 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 745 T C 1.355 175.981 174.700 -0.124 0.000 1.127 745 T CA 1.121 63.186 62.100 -0.057 0.000 1.107 745 T CB -0.187 68.633 68.868 -0.081 0.000 0.910 745 T HN 0.282 nan 8.240 nan 0.000 0.513 746 M N 2.035 121.573 119.600 -0.104 0.000 3.011 746 M HA 0.452 4.932 4.480 -0.000 0.000 0.292 746 M C 1.286 177.480 176.300 -0.176 0.000 1.440 746 M CA 0.154 55.361 55.300 -0.155 0.000 1.552 746 M CB 0.103 32.718 32.600 0.024 0.000 1.187 746 M HN 0.560 nan 8.290 nan 0.000 0.520 747 G N 0.684 109.341 108.800 -0.239 0.000 3.819 747 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.210 747 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.210 747 G C -0.325 174.480 174.900 -0.158 0.000 1.018 747 G CA -0.624 44.383 45.100 -0.154 0.000 0.882 747 G HN 0.526 nan 8.290 nan 0.000 0.377 748 D N 0.815 121.180 120.400 -0.058 0.000 2.344 748 D HA 0.504 5.143 4.640 -0.000 0.000 0.244 748 D C 1.312 177.578 176.300 -0.056 0.000 1.134 748 D CA 1.915 55.986 54.000 0.118 0.000 0.930 748 D CB 0.716 41.721 40.800 0.341 0.000 1.175 748 D HN 1.312 nan 8.370 nan 0.000 0.437 749 G N 2.241 111.035 108.800 -0.010 0.000 2.575 749 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.267 749 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.267 749 G C 0.134 174.914 174.900 -0.200 0.000 1.264 749 G CA 0.432 45.464 45.100 -0.113 0.000 0.935 749 G HN 0.917 nan 8.290 nan 0.000 0.568 750 K N -1.067 119.213 120.400 -0.200 0.000 3.274 750 K HA -0.349 3.971 4.320 -0.000 0.000 0.305 750 K C 0.729 177.248 176.600 -0.135 0.000 1.225 750 K CA 1.388 57.547 56.287 -0.214 0.000 0.904 750 K CB -1.568 30.606 32.500 -0.543 0.000 1.227 750 K HN 1.969 nan 8.250 nan 0.000 0.453 751 N N -0.050 118.580 118.700 -0.118 0.000 2.725 751 N HA -0.191 4.548 4.740 -0.000 0.000 0.249 751 N C -0.161 175.298 175.510 -0.084 0.000 1.103 751 N CA 1.085 54.086 53.050 -0.081 0.000 0.707 751 N CB -0.743 37.737 38.487 -0.012 0.000 1.043 751 N HN 0.640 nan 8.380 nan 0.000 0.553 752 S N -1.375 114.227 115.700 -0.162 0.000 2.634 752 S HA 0.269 4.738 4.470 -0.000 0.000 0.261 752 S C 1.239 175.834 174.600 -0.008 0.000 1.271 752 S CA -0.318 57.755 58.200 -0.212 0.000 0.985 752 S CB 0.441 63.479 63.200 -0.269 0.000 0.968 752 S HN 0.180 nan 8.310 nan 0.000 0.568 753 Y N 0.019 120.358 120.300 0.065 0.000 2.439 753 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 753 Y C 2.230 178.188 175.900 0.096 0.000 1.130 753 Y CA 0.294 58.512 58.100 0.196 0.000 1.254 753 Y CB -1.180 37.337 38.460 0.096 0.000 1.000 753 Y HN 0.473 nan 8.280 nan 0.000 0.554 754 M N 0.007 119.649 119.600 0.071 0.000 2.358 754 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 754 M C 1.473 177.660 176.300 -0.188 0.000 1.064 754 M CA 1.087 56.314 55.300 -0.121 0.000 1.093 754 M CB -0.587 31.873 32.600 -0.234 0.000 1.401 754 M HN 0.144 nan 8.290 nan 0.000 0.440 755 N N -0.890 117.717 118.700 -0.154 0.000 2.520 755 N HA -0.106 4.634 4.740 -0.000 0.000 0.185 755 N C 0.785 176.090 175.510 -0.343 0.000 1.068 755 N CA 1.069 54.007 53.050 -0.186 0.000 0.911 755 N CB -0.111 38.160 38.487 -0.361 0.000 0.961 755 N HN 0.508 nan 8.380 nan 0.000 0.446 756 Y N 0.522 120.812 120.300 -0.017 0.000 2.466 756 Y HA 0.309 4.859 4.550 -0.000 0.000 0.272 756 Y C 0.906 176.745 175.900 -0.101 0.000 1.169 756 Y CA -0.375 57.699 58.100 -0.044 0.000 1.285 756 Y CB 0.248 38.686 38.460 -0.037 0.000 1.078 756 Y HN -0.115 nan 8.280 nan 0.000 0.523 757 I N 1.377 121.896 120.570 -0.085 0.000 2.533 757 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 757 I C 1.182 177.172 176.117 -0.212 0.000 1.109 757 I CA 0.178 61.321 61.300 -0.262 0.000 1.412 757 I CB 1.202 38.803 38.000 -0.667 0.000 1.396 757 I HN 0.233 nan 8.210 nan 0.000 0.543 758 K N 3.282 123.587 120.400 -0.159 0.000 2.059 758 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 758 K C 0.973 177.530 176.600 -0.072 0.000 1.050 758 K CA 1.842 58.078 56.287 -0.085 0.000 0.927 758 K CB -0.098 32.370 32.500 -0.054 0.000 0.714 758 K HN 0.572 nan 8.250 nan 0.000 0.447 759 D N -0.854 119.496 120.400 -0.083 0.000 2.370 759 D HA -0.023 4.617 4.640 -0.000 0.000 0.230 759 D C 0.950 177.338 176.300 0.147 0.000 1.143 759 D CA 0.248 54.296 54.000 0.080 0.000 0.834 759 D CB 0.239 41.208 40.800 0.281 0.000 0.944 759 D HN 0.243 nan 8.370 nan 0.000 0.504 760 H N -0.713 118.252 119.070 -0.176 0.000 2.367 760 H HA 0.440 4.996 4.556 -0.000 0.000 0.304 760 H C 0.035 175.204 175.328 -0.265 0.000 1.023 760 H CA 0.615 56.556 56.048 -0.179 0.000 1.342 760 H CB 0.599 30.208 29.762 -0.255 0.000 1.486 760 H HN -0.177 nan 8.280 nan 0.000 0.596 761 R N -0.126 120.243 120.500 -0.219 0.000 2.771 761 R HA 0.553 4.893 4.340 -0.000 0.000 0.274 761 R C -1.670 174.592 176.300 -0.064 0.000 0.987 761 R CA -1.045 54.942 56.100 -0.189 0.000 0.908 761 R CB 3.171 33.378 30.300 -0.154 0.000 1.213 761 R HN -0.013 nan 8.270 nan 0.000 0.468 762 V N 1.381 121.304 119.914 0.015 0.000 2.444 762 V HA 0.245 4.365 4.120 -0.000 0.000 0.294 762 V C -0.259 175.922 176.094 0.145 0.000 1.022 762 V CA -0.767 61.571 62.300 0.063 0.000 0.850 762 V CB 1.564 33.427 31.823 0.066 0.000 0.992 762 V HN 0.717 nan 8.190 nan 0.000 0.426 763 E N 3.725 123.990 120.200 0.108 0.000 2.259 763 E HA 0.525 4.875 4.350 -0.000 0.000 0.281 763 E C -1.399 175.320 176.600 0.199 0.000 1.037 763 E CA -0.244 56.244 56.400 0.148 0.000 0.854 763 E CB 1.332 31.086 29.700 0.090 0.000 1.051 763 E HN 0.506 nan 8.360 nan 0.000 0.409 764 V N 5.352 125.456 119.914 0.317 0.000 2.567 764 V HA 0.139 4.259 4.120 -0.000 0.000 0.298 764 V C -0.639 175.645 176.094 0.316 0.000 1.047 764 V CA -0.778 61.682 62.300 0.266 0.000 0.880 764 V CB 1.726 33.666 31.823 0.195 0.000 1.009 764 V HN 0.940 nan 8.190 nan 0.000 0.429 765 D N 3.980 124.501 120.400 0.203 0.000 2.800 765 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 765 D C 1.263 177.683 176.300 0.200 0.000 1.137 765 D CA 1.710 55.820 54.000 0.183 0.000 0.718 765 D CB -0.967 39.948 40.800 0.191 0.000 1.084 765 D HN 1.544 nan 8.370 nan 0.000 0.432 766 G N -0.525 108.383 108.800 0.180 0.000 2.159 766 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.256 766 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.256 766 G C -0.134 174.870 174.900 0.173 0.000 0.977 766 G CA 0.525 45.716 45.100 0.151 0.000 0.652 766 G HN 0.561 nan 8.290 nan 0.000 0.531 767 Y N 0.695 121.042 120.300 0.078 0.000 2.425 767 Y HA 0.607 5.157 4.550 -0.000 0.000 0.344 767 Y C -0.056 175.800 175.900 -0.073 0.000 0.969 767 Y CA -1.159 56.903 58.100 -0.063 0.000 1.052 767 Y CB 1.341 39.688 38.460 -0.188 0.000 1.215 767 Y HN 0.020 nan 8.280 nan 0.000 0.451 768 K N 6.246 126.333 120.400 -0.521 0.000 2.268 768 K HA 0.235 4.555 4.320 -0.000 0.000 0.276 768 K C -1.597 174.862 176.600 -0.235 0.000 1.080 768 K CA -0.369 55.766 56.287 -0.253 0.000 0.910 768 K CB 0.618 32.944 32.500 -0.290 0.000 1.163 768 K HN 0.504 nan 8.250 nan 0.000 0.465 769 Y N 1.319 121.687 120.300 0.112 0.000 2.320 769 Y HA 0.112 4.662 4.550 -0.000 0.000 0.324 769 Y C 0.604 176.583 175.900 0.130 0.000 1.190 769 Y CA -0.712 57.505 58.100 0.195 0.000 1.215 769 Y CB 0.645 39.217 38.460 0.186 0.000 1.221 769 Y HN 0.541 nan 8.280 nan 0.000 0.486 770 W N 4.327 125.691 121.300 0.106 0.000 2.137 770 W HA 0.314 4.973 4.660 -0.000 0.000 0.344 770 W C -0.965 175.576 176.519 0.036 0.000 1.286 770 W CA -0.418 56.925 57.345 -0.003 0.000 1.240 770 W CB 0.502 29.952 29.460 -0.016 0.000 1.141 770 W HN 0.418 nan 8.180 nan 0.000 0.579 771 I N 5.754 126.105 120.570 -0.366 0.000 2.437 771 I HA 0.313 4.483 4.170 -0.000 0.000 0.298 771 I C 0.191 176.242 176.117 -0.110 0.000 0.984 771 I CA -0.769 60.412 61.300 -0.198 0.000 1.214 771 I CB 1.718 39.572 38.000 -0.243 0.000 1.365 771 I HN 0.255 nan 8.210 nan 0.000 0.469 772 M N 5.857 125.439 119.600 -0.030 0.000 2.204 772 M HA 0.472 4.952 4.480 -0.000 0.000 0.293 772 M C -1.301 174.978 176.300 -0.036 0.000 0.994 772 M CA -0.513 54.779 55.300 -0.014 0.000 0.925 772 M CB 1.542 34.153 32.600 0.018 0.000 1.577 772 M HN 0.500 nan 8.290 nan 0.000 0.439 773 R N 3.189 123.655 120.500 -0.057 0.000 2.308 773 R HA 0.665 5.005 4.340 -0.000 0.000 0.305 773 R C -1.206 175.071 176.300 -0.038 0.000 1.053 773 R CA -0.610 55.446 56.100 -0.073 0.000 0.957 773 R CB 1.384 31.577 30.300 -0.177 0.000 1.022 773 R HN 0.492 nan 8.270 nan 0.000 0.461 774 V N 2.843 122.745 119.914 -0.020 0.000 2.656 774 V HA 0.182 4.302 4.120 -0.000 0.000 0.307 774 V C -0.072 176.028 176.094 0.009 0.000 1.051 774 V CA -1.167 61.132 62.300 -0.001 0.000 0.893 774 V CB 1.915 33.740 31.823 0.003 0.000 0.999 774 V HN 0.752 nan 8.190 nan 0.000 0.426 775 N N 2.269 120.982 118.700 0.021 0.000 2.492 775 N HA -0.017 4.723 4.740 -0.000 0.000 0.262 775 N C 1.530 177.053 175.510 0.022 0.000 1.202 775 N CA 0.755 53.824 53.050 0.032 0.000 0.926 775 N CB 1.652 40.163 38.487 0.041 0.000 1.078 775 N HN 0.869 nan 8.380 nan 0.000 0.454 776 S N 4.583 120.297 115.700 0.022 0.000 2.380 776 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 776 S C 2.035 176.644 174.600 0.015 0.000 1.043 776 S CA 1.115 59.325 58.200 0.017 0.000 1.038 776 S CB -0.505 62.705 63.200 0.017 0.000 0.872 776 S HN 0.685 nan 8.310 nan 0.000 0.456 777 I N 2.443 123.022 120.570 0.015 0.000 2.226 777 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 777 I C 2.213 178.336 176.117 0.010 0.000 1.100 777 I CA 1.705 63.011 61.300 0.011 0.000 1.374 777 I CB -0.531 37.474 38.000 0.007 0.000 1.057 777 I HN 0.303 nan 8.210 nan 0.000 0.413 778 D N 1.071 121.478 120.400 0.011 0.000 2.149 778 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 778 D C 2.251 178.559 176.300 0.014 0.000 0.972 778 D CA 1.396 55.402 54.000 0.011 0.000 0.835 778 D CB -0.002 40.804 40.800 0.009 0.000 0.966 778 D HN 0.344 nan 8.370 nan 0.000 0.476 779 A N 1.451 124.280 122.820 0.015 0.000 1.873 779 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 779 A C 2.156 179.751 177.584 0.018 0.000 1.186 779 A CA 1.344 53.391 52.037 0.017 0.000 0.616 779 A CB -0.380 18.629 19.000 0.015 0.000 0.823 779 A HN 0.045 nan 8.150 nan 0.000 0.442 780 E N 0.749 120.958 120.200 0.015 0.000 2.058 780 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 780 E C 2.132 178.741 176.600 0.015 0.000 0.997 780 E CA 1.542 57.950 56.400 0.014 0.000 0.801 780 E CB -0.514 29.192 29.700 0.011 0.000 0.746 780 E HN 0.429 nan 8.360 nan 0.000 0.450 781 A N 0.926 123.755 122.820 0.015 0.000 2.131 781 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 781 A C 2.052 179.649 177.584 0.022 0.000 1.158 781 A CA 1.442 53.488 52.037 0.015 0.000 0.665 781 A CB -0.355 18.652 19.000 0.012 0.000 0.795 781 A HN 0.216 nan 8.150 nan 0.000 0.460 782 R N -2.096 118.420 120.500 0.026 0.000 2.472 782 R HA 0.282 4.622 4.340 -0.000 0.000 0.279 782 R C 1.051 177.372 176.300 0.036 0.000 0.953 782 R CA 0.432 56.554 56.100 0.036 0.000 1.088 782 R CB 0.284 30.609 30.300 0.043 0.000 1.197 782 R HN 0.593 nan 8.270 nan 0.000 0.536 783 G N 1.936 110.753 108.800 0.027 0.000 2.160 783 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 783 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 783 G C 0.111 175.027 174.900 0.026 0.000 1.008 783 G CA 0.004 45.118 45.100 0.025 0.000 0.724 783 G HN 0.254 nan 8.290 nan 0.000 0.514 784 I N 0.352 120.938 120.570 0.027 0.000 2.342 784 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 784 I C 0.612 176.740 176.117 0.019 0.000 1.010 784 I CA -0.252 61.064 61.300 0.027 0.000 1.308 784 I CB 1.130 39.147 38.000 0.029 0.000 1.400 784 I HN -0.006 nan 8.210 nan 0.000 0.488 785 K N 4.605 125.015 120.400 0.017 0.000 2.208 785 K HA 0.306 4.626 4.320 -0.000 0.000 0.247 785 K C -0.287 176.320 176.600 0.010 0.000 0.953 785 K CA -0.912 55.383 56.287 0.012 0.000 0.837 785 K CB 1.421 33.928 32.500 0.011 0.000 1.131 785 K HN 0.492 nan 8.250 nan 0.000 0.431 786 N N 0.621 119.326 118.700 0.008 0.000 2.365 786 N HA -0.107 4.633 4.740 -0.000 0.000 0.265 786 N C 0.613 176.127 175.510 0.007 0.000 1.288 786 N CA 1.126 54.179 53.050 0.006 0.000 0.869 786 N CB 0.166 38.656 38.487 0.004 0.000 1.071 786 N HN 0.835 nan 8.380 nan 0.000 0.480 787 G N 2.426 111.229 108.800 0.005 0.000 2.213 787 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 787 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 787 G C -0.238 174.661 174.900 -0.001 0.000 0.991 787 G CA -0.201 44.903 45.100 0.006 0.000 0.629 787 G HN 0.617 nan 8.290 nan 0.000 0.517 788 D N 0.594 120.994 120.400 0.001 0.000 2.399 788 D HA 0.410 5.050 4.640 -0.000 0.000 0.241 788 D C 1.076 177.367 176.300 -0.015 0.000 1.133 788 D CA 0.018 54.019 54.000 0.002 0.000 0.890 788 D CB 0.787 41.599 40.800 0.019 0.000 1.201 788 D HN 0.280 nan 8.370 nan 0.000 0.432 789 L N 2.761 123.974 121.223 -0.018 0.000 2.319 789 L HA 0.353 4.692 4.340 -0.000 0.000 0.280 789 L C 0.565 177.479 176.870 0.073 0.000 1.099 789 L CA -0.421 54.391 54.840 -0.047 0.000 0.828 789 L CB 0.216 42.254 42.059 -0.034 0.000 1.150 789 L HN 0.246 nan 8.230 nan 0.000 0.442 790 I N 0.943 121.532 120.570 0.031 0.000 3.067 790 I HA 0.634 4.804 4.170 -0.000 0.000 0.312 790 I C -0.542 175.589 176.117 0.023 0.000 1.073 790 I CA -1.063 60.281 61.300 0.073 0.000 1.016 790 I CB 2.162 40.191 38.000 0.049 0.000 1.227 790 I HN 0.578 nan 8.210 nan 0.000 0.456 791 R N 2.884 123.423 120.500 0.064 0.000 2.360 791 R HA 0.752 5.091 4.340 -0.000 0.000 0.318 791 R C -1.348 175.010 176.300 0.097 0.000 0.950 791 R CA -0.491 55.607 56.100 -0.004 0.000 0.837 791 R CB 1.676 31.965 30.300 -0.019 0.000 1.165 791 R HN 0.961 nan 8.270 nan 0.000 0.458 792 A N 4.615 127.455 122.820 0.033 0.000 2.292 792 A HA 0.596 4.915 4.320 -0.000 0.000 0.319 792 A C -1.387 176.223 177.584 0.045 0.000 1.206 792 A CA -0.534 51.508 52.037 0.009 0.000 0.835 792 A CB 0.477 19.450 19.000 -0.045 0.000 1.164 792 A HN 0.812 nan 8.150 nan 0.000 0.505 793 Y N 0.603 120.822 120.300 -0.135 0.000 2.689 793 Y HA 0.750 5.300 4.550 -0.000 0.000 0.333 793 Y C -0.699 175.012 175.900 -0.315 0.000 1.208 793 Y CA -0.993 56.999 58.100 -0.181 0.000 1.055 793 Y CB 1.068 39.461 38.460 -0.111 0.000 1.304 793 Y HN 0.840 nan 8.280 nan 0.000 0.455 794 N N -1.784 116.733 118.700 -0.306 0.000 3.441 794 N HA 0.196 4.936 4.740 -0.000 0.000 0.313 794 N C -0.681 174.705 175.510 -0.205 0.000 1.526 794 N CA -0.290 52.197 53.050 -0.939 0.000 0.871 794 N CB 0.042 37.873 38.487 -1.094 0.000 1.779 794 N HN 0.538 nan 8.380 nan 0.000 0.529 795 D N -0.327 120.000 120.400 -0.120 0.000 2.218 795 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 795 D C 1.242 177.633 176.300 0.152 0.000 0.976 795 D CA 1.126 55.230 54.000 0.174 0.000 0.853 795 D CB -0.056 40.858 40.800 0.189 0.000 0.939 795 D HN 0.439 nan 8.370 nan 0.000 0.481 796 R N -0.114 120.375 120.500 -0.019 0.000 2.193 796 R HA 0.266 4.606 4.340 -0.000 0.000 0.213 796 R C 1.309 177.411 176.300 -0.329 0.000 1.055 796 R CA 0.757 56.804 56.100 -0.087 0.000 0.995 796 R CB 0.361 30.595 30.300 -0.110 0.000 0.893 796 R HN 0.130 nan 8.270 nan 0.000 0.459 797 G N -1.482 106.974 108.800 -0.574 0.000 2.327 797 G HA2 0.201 4.161 3.960 -0.000 0.000 0.291 797 G HA3 0.201 4.161 3.960 -0.000 0.000 0.291 797 G C -1.424 173.079 174.900 -0.661 0.000 1.290 797 G CA -0.805 43.498 45.100 -1.327 0.000 0.857 797 G HN -0.016 nan 8.290 nan 0.000 0.520 798 S N -1.458 113.946 115.700 -0.494 0.000 2.536 798 S HA 0.797 5.267 4.470 -0.000 0.000 0.287 798 S C -0.780 173.727 174.600 -0.156 0.000 1.101 798 S CA -0.558 57.545 58.200 -0.162 0.000 0.950 798 S CB 1.997 65.146 63.200 -0.086 0.000 1.056 798 S HN 1.113 nan 8.310 nan 0.000 0.481 799 V N 3.180 123.013 119.914 -0.137 0.000 2.623 799 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 799 V C -1.117 174.878 176.094 -0.165 0.000 1.054 799 V CA -0.674 61.546 62.300 -0.134 0.000 0.882 799 V CB 1.655 33.419 31.823 -0.099 0.000 1.002 799 V HN 0.743 nan 8.190 nan 0.000 0.424 800 I N 5.910 126.341 120.570 -0.233 0.000 2.342 800 I HA 0.545 4.715 4.170 -0.000 0.000 0.291 800 I C -0.111 175.979 176.117 -0.045 0.000 1.010 800 I CA 0.418 61.529 61.300 -0.316 0.000 1.308 800 I CB 0.933 38.517 38.000 -0.693 0.000 1.400 800 I HN 0.429 nan 8.210 nan 0.000 0.488 801 L N 4.953 126.160 121.223 -0.027 0.000 2.341 801 L HA 0.863 5.203 4.340 -0.000 0.000 0.254 801 L C -0.323 176.554 176.870 0.012 0.000 1.040 801 L CA -1.053 53.845 54.840 0.096 0.000 0.837 801 L CB 1.702 43.829 42.059 0.113 0.000 1.425 801 L HN 0.549 nan 8.230 nan 0.000 0.414 802 A N 0.835 123.693 122.820 0.063 0.000 2.274 802 A HA 0.803 5.123 4.320 -0.000 0.000 0.309 802 A C -0.066 177.522 177.584 0.006 0.000 1.226 802 A CA -0.351 51.688 52.037 0.004 0.000 0.853 802 A CB 0.773 19.806 19.000 0.055 0.000 1.146 802 A HN 0.721 nan 8.150 nan 0.000 0.518 803 A N 2.349 125.167 122.820 -0.003 0.000 2.401 803 A HA 0.526 4.845 4.320 -0.000 0.000 0.259 803 A C 0.177 177.757 177.584 -0.006 0.000 1.103 803 A CA -0.195 51.842 52.037 -0.001 0.000 0.789 803 A CB 0.209 19.213 19.000 0.006 0.000 1.035 803 A HN 0.855 nan 8.150 nan 0.000 0.491 804 Q N 3.033 122.825 119.800 -0.014 0.000 2.401 804 Q HA 0.466 4.806 4.340 -0.000 0.000 0.260 804 Q C -1.432 174.559 176.000 -0.015 0.000 1.034 804 Q CA -0.479 55.314 55.803 -0.016 0.000 0.737 804 Q CB 1.175 29.897 28.738 -0.028 0.000 1.227 804 Q HN 0.567 nan 8.270 nan 0.000 0.488 805 V N 3.344 123.255 119.914 -0.005 0.000 2.572 805 V HA 0.290 4.410 4.120 -0.000 0.000 0.291 805 V C 0.434 176.526 176.094 -0.003 0.000 1.039 805 V CA 0.406 62.705 62.300 -0.001 0.000 1.055 805 V CB 1.113 32.939 31.823 0.004 0.000 0.969 805 V HN 0.821 nan 8.190 nan 0.000 0.482 806 T N 2.694 117.249 114.554 0.001 0.000 2.787 806 T HA 0.392 4.742 4.350 -0.000 0.000 0.297 806 T C -0.000 174.714 174.700 0.023 0.000 1.221 806 T CA -0.519 61.582 62.100 0.002 0.000 1.006 806 T CB 2.111 70.972 68.868 -0.013 0.000 1.328 806 T HN 0.630 nan 8.240 nan 0.000 0.509 807 E N 0.566 120.782 120.200 0.026 0.000 2.526 807 E HA 0.200 4.549 4.350 -0.000 0.000 0.208 807 E C 1.023 177.699 176.600 0.125 0.000 0.997 807 E CA 0.121 56.563 56.400 0.070 0.000 0.961 807 E CB -0.008 29.727 29.700 0.058 0.000 1.030 807 E HN 0.585 nan 8.360 nan 0.000 0.483 808 C N 1.333 120.656 119.300 0.039 0.000 2.460 808 C HA 0.279 4.739 4.460 -0.000 0.000 0.322 808 C C 0.743 175.886 174.990 0.255 0.000 1.333 808 C CA 0.025 59.006 59.018 -0.062 0.000 1.631 808 C CB -1.731 25.880 27.740 -0.215 0.000 1.672 808 C HN 0.139 nan 8.230 nan 0.000 0.596 809 L N -0.140 121.306 121.223 0.370 0.000 2.505 809 L HA 0.331 4.671 4.340 -0.000 0.000 0.259 809 L C -0.301 176.702 176.870 0.221 0.000 0.952 809 L CA -0.393 54.651 54.840 0.340 0.000 0.840 809 L CB 1.446 43.609 42.059 0.173 0.000 1.358 809 L HN 0.064 nan 8.230 nan 0.000 0.409 810 Q N 2.992 122.867 119.800 0.125 0.000 2.337 810 Q HA 0.239 4.579 4.340 -0.000 0.000 0.270 810 Q C -2.296 173.717 176.000 0.022 0.000 1.002 810 Q CA -1.344 54.467 55.803 0.013 0.000 0.888 810 Q CB 1.096 29.798 28.738 -0.061 0.000 1.222 810 Q HN 0.225 nan 8.270 nan 0.000 0.400 811 P HA -0.039 nan 4.420 nan 0.000 0.262 811 P C 0.078 177.374 177.300 -0.006 0.000 1.182 811 P CA 1.510 64.612 63.100 0.005 0.000 0.761 811 P CB 0.476 32.172 31.700 -0.005 0.000 0.795 812 G N 1.463 110.263 108.800 -0.001 0.000 2.213 812 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 812 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 812 G C 0.150 175.048 174.900 -0.004 0.000 0.992 812 G CA -0.089 45.006 45.100 -0.009 0.000 0.632 812 G HN 0.597 nan 8.290 nan 0.000 0.511 813 T N 1.165 115.726 114.554 0.010 0.000 2.823 813 T HA 0.665 5.015 4.350 -0.000 0.000 0.279 813 T C 0.157 174.873 174.700 0.027 0.000 0.998 813 T CA 0.154 62.267 62.100 0.021 0.000 0.994 813 T CB 2.386 71.282 68.868 0.047 0.000 0.960 813 T HN 1.343 nan 8.240 nan 0.000 0.448 814 V N 0.588 120.510 119.914 0.013 0.000 2.864 814 V HA 0.710 4.830 4.120 -0.000 0.000 0.314 814 V C -0.833 175.271 176.094 0.016 0.000 1.073 814 V CA -0.891 61.413 62.300 0.007 0.000 0.956 814 V CB 2.092 33.906 31.823 -0.016 0.000 1.023 814 V HN 0.955 nan 8.190 nan 0.000 0.435 815 H N 1.891 120.868 119.070 -0.154 0.000 2.667 815 H HA 0.727 5.282 4.556 -0.000 0.000 0.353 815 H C -1.586 173.582 175.328 -0.266 0.000 1.072 815 H CA -0.013 55.884 56.048 -0.252 0.000 1.214 815 H CB 2.134 31.622 29.762 -0.457 0.000 1.600 815 H HN 0.942 nan 8.280 nan 0.000 0.527 816 S N 5.244 120.673 115.700 -0.453 0.000 2.649 816 S HA 0.304 4.773 4.470 -0.000 0.000 0.274 816 S C -1.311 173.193 174.600 -0.161 0.000 1.176 816 S CA -0.519 57.565 58.200 -0.194 0.000 0.988 816 S CB 0.329 63.562 63.200 0.054 0.000 1.071 816 S HN 0.526 nan 8.310 nan 0.000 0.478 817 Y N 2.864 123.224 120.300 0.099 0.000 2.578 817 Y HA 0.136 4.686 4.550 -0.000 0.000 0.339 817 Y C 1.354 177.475 175.900 0.368 0.000 1.231 817 Y CA 0.111 58.343 58.100 0.219 0.000 1.461 817 Y CB 0.549 39.193 38.460 0.308 0.000 1.323 817 Y HN 0.765 nan 8.280 nan 0.000 0.590 818 E N -0.775 119.633 120.200 0.346 0.000 2.849 818 E HA 0.417 4.767 4.350 -0.000 0.000 0.257 818 E C -0.020 176.621 176.600 0.070 0.000 1.306 818 E CA -0.204 56.258 56.400 0.103 0.000 1.058 818 E CB 0.554 30.266 29.700 0.019 0.000 1.249 818 E HN 0.522 nan 8.360 nan 0.000 0.638 819 S N -2.357 113.291 115.700 -0.087 0.000 3.482 819 S HA -0.237 4.233 4.470 -0.000 0.000 0.294 819 S C 0.221 174.690 174.600 -0.219 0.000 1.244 819 S CA 0.501 58.647 58.200 -0.091 0.000 0.911 819 S CB -2.640 60.606 63.200 0.078 0.000 1.070 819 S HN 0.781 nan 8.310 nan 0.000 0.614 820 C N 2.029 121.005 119.300 -0.540 0.000 2.596 820 C HA 0.472 4.932 4.460 -0.000 0.000 0.414 820 C C 1.890 176.664 174.990 -0.359 0.000 1.396 820 C CA 0.433 58.978 59.018 -0.788 0.000 1.698 820 C CB -0.261 26.813 27.740 -1.110 0.000 2.572 820 C HN 0.793 nan 8.230 nan 0.000 0.604 821 A N 4.757 127.437 122.820 -0.233 0.000 2.132 821 A HA 0.286 4.606 4.320 -0.000 0.000 0.213 821 A C 0.665 178.168 177.584 -0.135 0.000 1.154 821 A CA 0.496 52.437 52.037 -0.161 0.000 0.753 821 A CB -0.085 18.825 19.000 -0.150 0.000 0.826 821 A HN 0.820 nan 8.150 nan 0.000 0.469 822 V N 0.490 120.324 119.914 -0.134 0.000 2.383 822 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 822 V C -0.730 175.354 176.094 -0.017 0.000 1.036 822 V CA -0.491 61.762 62.300 -0.078 0.000 0.889 822 V CB 0.638 32.419 31.823 -0.071 0.000 0.985 822 V HN 0.381 nan 8.190 nan 0.000 0.459 823 Y N 4.339 124.566 120.300 -0.121 0.000 2.356 823 Y HA 0.617 5.167 4.550 -0.000 0.000 0.334 823 Y C -0.433 175.428 175.900 -0.065 0.000 0.958 823 Y CA -1.469 56.577 58.100 -0.090 0.000 1.196 823 Y CB 1.362 39.790 38.460 -0.054 0.000 1.137 823 Y HN 0.714 nan 8.280 nan 0.000 0.485 824 D N 9.305 129.431 120.400 -0.457 0.000 2.405 824 D HA 0.288 4.928 4.640 -0.000 0.000 0.264 824 D C -3.091 172.939 176.300 -0.450 0.000 1.240 824 D CA -2.133 51.629 54.000 -0.397 0.000 0.893 824 D CB 1.284 42.003 40.800 -0.134 0.000 1.198 824 D HN 0.237 nan 8.370 nan 0.000 0.514 825 P HA 0.066 nan 4.420 nan 0.000 0.271 825 P C 0.930 178.130 177.300 -0.166 0.000 1.216 825 P CA -0.318 62.566 63.100 -0.359 0.000 0.776 825 P CB 1.560 33.064 31.700 -0.326 0.000 0.881 826 L N 1.168 122.351 121.223 -0.067 0.000 2.418 826 L HA 0.141 4.481 4.340 -0.000 0.000 0.218 826 L C 1.653 178.544 176.870 0.035 0.000 1.125 826 L CA 1.034 55.877 54.840 0.004 0.000 0.835 826 L CB -0.457 41.653 42.059 0.085 0.000 0.953 826 L HN 0.549 nan 8.230 nan 0.000 0.454 827 G N -1.222 107.603 108.800 0.042 0.000 3.259 827 G HA2 0.259 4.218 3.960 -0.000 0.000 0.178 827 G HA3 0.259 4.218 3.960 -0.000 0.000 0.178 827 G C -0.714 174.218 174.900 0.054 0.000 1.129 827 G CA -0.232 44.901 45.100 0.055 0.000 0.816 827 G HN -0.138 nan 8.290 nan 0.000 0.634 828 T N 1.646 116.248 114.554 0.080 0.000 2.928 828 T HA 0.449 4.799 4.350 -0.000 0.000 0.305 828 T C 0.776 175.566 174.700 0.150 0.000 1.035 828 T CA 0.451 62.611 62.100 0.099 0.000 1.145 828 T CB 0.838 69.768 68.868 0.104 0.000 0.963 828 T HN 0.866 nan 8.240 nan 0.000 0.545 829 A N 2.616 125.546 122.820 0.183 0.000 2.540 829 A HA 0.479 4.799 4.320 -0.000 0.000 0.239 829 A C 1.702 179.506 177.584 0.366 0.000 1.061 829 A CA 0.171 52.415 52.037 0.344 0.000 0.758 829 A CB -0.845 18.429 19.000 0.457 0.000 0.991 829 A HN 1.671 nan 8.150 nan 0.000 0.502 830 G N 1.696 110.748 108.800 0.420 0.000 2.189 830 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.267 830 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.267 830 G C 0.674 175.707 174.900 0.221 0.000 0.975 830 G CA 1.104 46.358 45.100 0.257 0.000 0.644 830 G HN 0.849 nan 8.290 nan 0.000 0.537 831 K N -0.316 120.231 120.400 0.245 0.000 2.477 831 K HA 0.332 4.652 4.320 -0.000 0.000 0.208 831 K C 0.747 177.547 176.600 0.332 0.000 1.117 831 K CA 0.682 57.123 56.287 0.257 0.000 1.039 831 K CB 0.979 33.585 32.500 0.177 0.000 0.937 831 K HN 0.549 nan 8.250 nan 0.000 0.570 832 S N -0.496 115.392 115.700 0.314 0.000 2.732 832 S HA 0.719 5.189 4.470 -0.000 0.000 0.293 832 S C -0.507 174.249 174.600 0.259 0.000 1.159 832 S CA -1.103 57.294 58.200 0.329 0.000 0.847 832 S CB 1.471 64.791 63.200 0.200 0.000 1.169 832 S HN 0.063 nan 8.310 nan 0.000 0.501 833 A N 0.383 123.351 122.820 0.248 0.000 2.445 833 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 833 A C -0.149 177.432 177.584 -0.006 0.000 1.075 833 A CA 0.084 52.179 52.037 0.096 0.000 0.777 833 A CB -0.526 18.533 19.000 0.098 0.000 1.013 833 A HN 0.870 nan 8.150 nan 0.000 0.493 834 D N -0.419 119.942 120.400 -0.064 0.000 2.248 834 D HA 0.471 5.111 4.640 -0.000 0.000 0.246 834 D C 0.806 177.017 176.300 -0.149 0.000 1.027 834 D CA -0.656 53.280 54.000 -0.108 0.000 0.853 834 D CB 1.010 41.806 40.800 -0.007 0.000 1.243 834 D HN 0.502 nan 8.370 nan 0.000 0.462 835 R N 1.979 122.375 120.500 -0.173 0.000 2.437 835 R HA 0.319 4.659 4.340 -0.000 0.000 0.257 835 R C 1.354 177.637 176.300 -0.029 0.000 0.927 835 R CA -0.178 55.832 56.100 -0.149 0.000 1.078 835 R CB 0.308 30.430 30.300 -0.297 0.000 1.161 835 R HN 0.392 nan 8.270 nan 0.000 0.529 836 G N 1.065 109.841 108.800 -0.041 0.000 2.408 836 G HA2 0.095 4.055 3.960 -0.000 0.000 0.217 836 G HA3 0.095 4.055 3.960 -0.000 0.000 0.217 836 G C 1.071 175.948 174.900 -0.039 0.000 1.150 836 G CA 0.788 45.888 45.100 0.000 0.000 0.776 836 G HN 0.601 nan 8.290 nan 0.000 0.542 837 G N -2.211 106.527 108.800 -0.103 0.000 2.147 837 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.128 837 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.128 837 G C 0.157 174.740 174.900 -0.528 0.000 1.026 837 G CA -0.166 44.791 45.100 -0.240 0.000 0.693 837 G HN 0.514 nan 8.290 nan 0.000 0.499 838 C N 2.362 121.482 119.300 -0.300 0.000 2.612 838 C HA 0.249 4.709 4.460 -0.000 0.000 0.403 838 C C 2.274 177.128 174.990 -0.226 0.000 1.056 838 C CA -0.490 58.359 59.018 -0.281 0.000 1.256 838 C CB -1.782 25.881 27.740 -0.127 0.000 1.741 838 C HN 0.465 nan 8.230 nan 0.000 0.542 839 I N 2.671 123.085 120.570 -0.260 0.000 2.335 839 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 839 I C 2.117 178.150 176.117 -0.139 0.000 1.129 839 I CA 1.464 62.673 61.300 -0.152 0.000 1.402 839 I CB -0.641 37.310 38.000 -0.082 0.000 1.069 839 I HN 0.609 nan 8.210 nan 0.000 0.424 840 N N 0.850 119.454 118.700 -0.160 0.000 2.635 840 N HA -0.066 4.674 4.740 -0.000 0.000 0.191 840 N C 1.775 177.202 175.510 -0.140 0.000 1.155 840 N CA 0.521 53.485 53.050 -0.144 0.000 0.927 840 N CB -0.092 38.294 38.487 -0.169 0.000 0.976 840 N HN 0.424 nan 8.380 nan 0.000 0.448 841 I N 0.150 120.632 120.570 -0.146 0.000 2.493 841 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 841 I C 1.511 177.538 176.117 -0.150 0.000 1.160 841 I CA 0.826 62.039 61.300 -0.144 0.000 1.445 841 I CB 0.122 38.035 38.000 -0.144 0.000 1.086 841 I HN 0.094 nan 8.210 nan 0.000 0.433 842 L N -0.234 120.903 121.223 -0.144 0.000 2.529 842 L HA 0.063 4.403 4.340 -0.000 0.000 0.223 842 L C 1.151 177.956 176.870 -0.109 0.000 1.113 842 L CA -0.036 54.716 54.840 -0.147 0.000 0.861 842 L CB -0.635 41.331 42.059 -0.155 0.000 1.012 842 L HN 0.260 nan 8.230 nan 0.000 0.461 843 T N -1.178 113.325 114.554 -0.085 0.000 2.913 843 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 843 T C -2.406 172.289 174.700 -0.009 0.000 1.029 843 T CA -1.751 60.321 62.100 -0.046 0.000 1.104 843 T CB 0.808 69.649 68.868 -0.045 0.000 0.964 843 T HN -0.104 nan 8.240 nan 0.000 0.532 844 P HA 0.180 nan 4.420 nan 0.000 0.271 844 P C -0.120 177.241 177.300 0.103 0.000 1.220 844 P CA -0.203 62.975 63.100 0.129 0.000 0.768 844 P CB 0.739 32.649 31.700 0.350 0.000 0.848 845 D N 2.319 122.728 120.400 0.015 0.000 2.339 845 D HA -0.018 4.621 4.640 -0.000 0.000 0.217 845 D C 0.787 177.013 176.300 -0.122 0.000 1.050 845 D CA 0.015 53.981 54.000 -0.056 0.000 0.856 845 D CB -0.249 40.480 40.800 -0.118 0.000 0.922 845 D HN 0.318 nan 8.370 nan 0.000 0.518 846 R N 0.466 120.912 120.500 -0.090 0.000 2.537 846 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 846 R C -0.426 175.861 176.300 -0.022 0.000 1.058 846 R CA -0.371 55.581 56.100 -0.247 0.000 1.057 846 R CB 0.199 30.127 30.300 -0.620 0.000 0.973 846 R HN 0.040 nan 8.270 nan 0.000 0.438 847 Y N 3.688 123.935 120.300 -0.089 0.000 2.550 847 Y HA -0.103 4.447 4.550 -0.000 0.000 0.343 847 Y C 1.950 177.921 175.900 0.119 0.000 1.245 847 Y CA -0.578 57.512 58.100 -0.017 0.000 1.462 847 Y CB 0.609 39.016 38.460 -0.089 0.000 1.340 847 Y HN 0.588 nan 8.280 nan 0.000 0.604 848 I N 0.939 121.717 120.570 0.346 0.000 2.236 848 I HA -0.299 3.871 4.170 -0.000 0.000 0.249 848 I C 1.026 177.386 176.117 0.406 0.000 1.102 848 I CA 1.681 63.221 61.300 0.400 0.000 1.365 848 I CB -0.377 37.716 38.000 0.155 0.000 1.051 848 I HN 0.545 nan 8.210 nan 0.000 0.420 849 S N -1.397 114.399 115.700 0.159 0.000 2.688 849 S HA 0.266 4.736 4.470 -0.000 0.000 0.275 849 S C 0.459 175.057 174.600 -0.003 0.000 1.175 849 S CA -0.870 57.405 58.200 0.125 0.000 0.818 849 S CB 1.831 65.151 63.200 0.200 0.000 1.157 849 S HN 0.070 nan 8.310 nan 0.000 0.482 850 K N -0.489 119.879 120.400 -0.053 0.000 2.063 850 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 850 K C 0.704 177.056 176.600 -0.412 0.000 1.048 850 K CA 1.977 58.100 56.287 -0.273 0.000 0.928 850 K CB -0.328 31.914 32.500 -0.430 0.000 0.713 850 K HN 0.720 nan 8.250 nan 0.000 0.442 851 Y N -1.240 119.124 120.300 0.107 0.000 2.430 851 Y HA 0.360 4.910 4.550 -0.000 0.000 0.248 851 Y C 0.336 176.166 175.900 -0.116 0.000 1.108 851 Y CA -0.247 57.911 58.100 0.096 0.000 1.264 851 Y CB 0.712 39.371 38.460 0.331 0.000 1.172 851 Y HN -0.027 nan 8.280 nan 0.000 0.520 852 A N 0.038 122.786 122.820 -0.120 0.000 2.807 852 A HA 0.307 4.627 4.320 -0.000 0.000 0.307 852 A C -0.056 176.809 177.584 -1.199 0.000 1.532 852 A CA -0.385 51.325 52.037 -0.547 0.000 1.215 852 A CB -1.242 17.683 19.000 -0.126 0.000 1.127 852 A HN 0.470 nan 8.150 nan 0.000 0.543 853 C N 2.891 121.094 119.300 -1.828 0.000 3.506 853 C HA 0.449 4.909 4.460 -0.000 0.000 0.578 853 C C 1.445 175.685 174.990 -1.249 0.000 1.153 853 C CA -0.126 57.729 59.018 -1.938 0.000 1.248 853 C CB -2.003 24.908 27.740 -1.382 0.000 1.532 853 C HN 0.846 nan 8.230 nan 0.000 0.646 854 G N 0.935 109.216 108.800 -0.865 0.000 2.644 854 G HA2 0.694 4.654 3.960 -0.000 0.000 0.307 854 G HA3 0.694 4.654 3.960 -0.000 0.000 0.307 854 G C -0.444 174.542 174.900 0.144 0.000 1.250 854 G CA -0.840 44.193 45.100 -0.112 0.000 0.996 854 G HN 0.531 nan 8.290 nan 0.000 0.489 855 M N 0.117 119.836 119.600 0.197 0.000 2.235 855 M HA 0.667 5.147 4.480 -0.000 0.000 0.351 855 M C 0.114 176.503 176.300 0.149 0.000 1.178 855 M CA -0.516 54.887 55.300 0.172 0.000 1.143 855 M CB 1.905 34.571 32.600 0.109 0.000 1.530 855 M HN 0.439 nan 8.290 nan 0.000 0.461 856 A N 2.932 125.843 122.820 0.152 0.000 2.793 856 A HA 0.287 4.607 4.320 -0.000 0.000 0.301 856 A C 0.459 178.047 177.584 0.007 0.000 1.172 856 A CA -0.655 51.423 52.037 0.069 0.000 0.973 856 A CB -0.754 18.288 19.000 0.069 0.000 1.164 856 A HN 1.021 nan 8.150 nan 0.000 0.542 857 N N 1.399 120.116 118.700 0.027 0.000 2.060 857 N HA -0.185 4.555 4.740 -0.000 0.000 0.195 857 N C 0.985 176.482 175.510 -0.021 0.000 1.028 857 N CA 1.702 54.752 53.050 0.000 0.000 0.861 857 N CB -0.225 38.260 38.487 -0.003 0.000 1.029 857 N HN 0.463 nan 8.380 nan 0.000 0.428 858 N N 0.076 118.768 118.700 -0.012 0.000 2.567 858 N HA -0.030 4.710 4.740 -0.000 0.000 0.195 858 N C -0.400 175.091 175.510 -0.032 0.000 1.242 858 N CA 0.622 53.664 53.050 -0.013 0.000 0.884 858 N CB -0.202 38.292 38.487 0.011 0.000 1.007 858 N HN 0.390 nan 8.380 nan 0.000 0.450 859 T N -1.901 112.607 114.554 -0.075 0.000 3.009 859 T HA 0.738 5.088 4.350 -0.000 0.000 0.346 859 T C -0.543 174.093 174.700 -0.105 0.000 1.092 859 T CA -0.931 61.097 62.100 -0.119 0.000 1.080 859 T CB 1.559 70.296 68.868 -0.218 0.000 1.037 859 T HN 0.071 nan 8.240 nan 0.000 0.487 860 A N 4.151 126.929 122.820 -0.069 0.000 2.381 860 A HA 0.758 5.078 4.320 -0.000 0.000 0.299 860 A C -0.659 176.896 177.584 -0.048 0.000 1.049 860 A CA -0.908 51.099 52.037 -0.051 0.000 0.715 860 A CB 1.204 20.166 19.000 -0.062 0.000 1.222 860 A HN 0.870 nan 8.150 nan 0.000 0.428 861 L N 3.128 124.337 121.223 -0.024 0.000 2.276 861 L HA 0.683 5.023 4.340 -0.000 0.000 0.286 861 L C 0.150 176.973 176.870 -0.079 0.000 1.061 861 L CA -0.580 54.260 54.840 -0.000 0.000 0.807 861 L CB 1.376 43.491 42.059 0.093 0.000 1.177 861 L HN 0.716 nan 8.230 nan 0.000 0.429 862 V N 0.217 120.079 119.914 -0.086 0.000 3.165 862 V HA 0.788 4.908 4.120 -0.000 0.000 0.309 862 V C -1.346 174.659 176.094 -0.148 0.000 1.267 862 V CA -0.714 61.449 62.300 -0.228 0.000 1.067 862 V CB 2.279 33.964 31.823 -0.230 0.000 1.082 862 V HN 0.683 nan 8.190 nan 0.000 0.451 863 E N 0.544 120.534 120.200 -0.352 0.000 2.314 863 E HA 0.761 5.111 4.350 -0.000 0.000 0.272 863 E C -1.122 175.272 176.600 -0.344 0.000 0.884 863 E CA -0.489 55.724 56.400 -0.311 0.000 0.753 863 E CB 1.853 31.333 29.700 -0.367 0.000 1.213 863 E HN 1.115 nan 8.360 nan 0.000 0.432 864 I N 0.055 120.575 120.570 -0.084 0.000 2.785 864 I HA 0.819 4.989 4.170 -0.000 0.000 0.302 864 I C -0.939 175.253 176.117 0.126 0.000 1.069 864 I CA -0.825 60.496 61.300 0.036 0.000 1.045 864 I CB 2.204 40.212 38.000 0.014 0.000 1.236 864 I HN 0.642 nan 8.210 nan 0.000 0.429 865 E N 2.870 123.172 120.200 0.169 0.000 2.423 865 E HA 0.411 4.761 4.350 -0.000 0.000 0.280 865 E C -1.719 174.971 176.600 0.149 0.000 1.030 865 E CA -1.262 55.235 56.400 0.161 0.000 0.812 865 E CB 1.550 31.376 29.700 0.210 0.000 1.313 865 E HN 0.549 nan 8.360 nan 0.000 0.456 866 K N 0.872 121.349 120.400 0.129 0.000 2.448 866 K HA 0.025 4.345 4.320 -0.000 0.000 0.278 866 K C -0.673 176.057 176.600 0.216 0.000 1.009 866 K CA -0.223 56.147 56.287 0.138 0.000 0.995 866 K CB 0.458 33.013 32.500 0.091 0.000 0.917 866 K HN 0.455 nan 8.250 nan 0.000 0.481 867 W N 5.350 126.660 121.300 0.018 0.000 2.266 867 W HA -0.005 4.655 4.660 -0.000 0.000 0.317 867 W C 0.768 177.321 176.519 0.057 0.000 1.310 867 W CA -0.640 56.729 57.345 0.040 0.000 1.207 867 W CB 0.375 29.844 29.460 0.014 0.000 1.199 867 W HN 0.693 nan 8.180 nan 0.000 0.544 868 D N 3.162 123.510 120.400 -0.085 0.000 2.340 868 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 868 D C 1.446 177.372 176.300 -0.623 0.000 1.039 868 D CA 0.718 54.569 54.000 -0.250 0.000 0.866 868 D CB -0.051 40.719 40.800 -0.050 0.000 0.913 868 D HN 0.755 nan 8.370 nan 0.000 0.523 869 G N 0.778 108.663 108.800 -1.525 0.000 2.194 869 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 869 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 869 G C -0.046 174.563 174.900 -0.485 0.000 0.987 869 G CA 0.153 44.314 45.100 -1.566 0.000 0.635 869 G HN 0.562 nan 8.290 nan 0.000 0.520 870 D N 0.684 121.025 120.400 -0.098 0.000 2.362 870 D HA 0.447 5.087 4.640 -0.000 0.000 0.242 870 D C 1.807 178.348 176.300 0.401 0.000 1.132 870 D CA 0.253 54.251 54.000 -0.003 0.000 0.907 870 D CB 0.630 41.153 40.800 -0.461 0.000 1.195 870 D HN 0.445 nan 8.370 nan 0.000 0.429 871 K N 1.465 121.986 120.400 0.201 0.000 2.400 871 K HA -0.032 4.287 4.320 -0.000 0.000 0.194 871 K C -0.116 176.695 176.600 0.352 0.000 1.033 871 K CA -0.085 56.382 56.287 0.300 0.000 1.021 871 K CB -0.201 32.396 32.500 0.162 0.000 0.808 871 K HN 0.459 nan 8.250 nan 0.000 0.505 872 Y N 1.950 122.332 120.300 0.136 0.000 2.983 872 Y HA -0.219 4.331 4.550 -0.000 0.000 0.185 872 Y C -0.413 175.529 175.900 0.070 0.000 1.476 872 Y CA 0.613 58.766 58.100 0.089 0.000 0.866 872 Y CB -1.960 36.592 38.460 0.154 0.000 1.331 872 Y HN 0.405 nan 8.280 nan 0.000 0.403 873 E N 2.675 122.924 120.200 0.082 0.000 1.892 873 E HA 0.358 4.708 4.350 -0.000 0.000 0.271 873 E C 0.746 177.316 176.600 -0.050 0.000 1.146 873 E CA 0.010 56.452 56.400 0.069 0.000 1.096 873 E CB -0.244 29.489 29.700 0.055 0.000 1.155 873 E HN 0.629 nan 8.360 nan 0.000 0.458 874 I N -0.463 119.965 120.570 -0.237 0.000 3.813 874 I HA 0.293 4.463 4.170 -0.000 0.000 0.323 874 I C -0.944 174.836 176.117 -0.561 0.000 1.536 874 I CA -0.690 60.375 61.300 -0.391 0.000 1.083 874 I CB 0.020 37.760 38.000 -0.432 0.000 1.265 874 I HN 0.082 nan 8.210 nan 0.000 0.507 875 Y N 0.000 120.348 120.300 0.080 0.000 2.660 875 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.068 0.000 1.940 875 Y CB 0.000 38.502 38.460 0.070 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758