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 1b25_1_D DATA FIRST_RESID 1 DATA SEQUENCE MYGWWGRILR VNLTTGEVKV QEYPEEVAKK FIGGRGLAAW ILWNEARGVE DATA SEQUENCE PLSPENKLIF AAGPFNGLPT PSGGKLVVAA KSPLTGGYGD GNLGTMASVH DATA SEQUENCE LRRAGYDALV VEGKAKKPVY IYIEDDNVSI LSAEGLWGKT TFETERELKE DATA SEQUENCE IHGKNVGVLT IGPAGENLVK YAVVISQEGR AAGRPGMGAV MGSKKLKAVV DATA SEQUENCE IRGTKEIPVA DKEELKKLSQ EAYNEILNSP GYPFWKRQGT MAAVEWCNTN DATA SEQUENCE YALPTRNFSD GYFEFARSID GYTMEGMKVQ QRGCPYCNMP CGNVVLDAEG DATA SEQUENCE QESELDYENV ALLGSNLGIG KLNEVSVLNR IADEMGMDTI SLGVSIAHVM DATA SEQUENCE EAVERGILKE GPTFGDFKGA KQLALDIAYR KGELGNLAAE GVKAMAEKLG DATA SEQUENCE THDFAMHVKG LEVSGYNCYI YPAMALAYGT SAIGAHHKEA WVIAWEIGTA DATA SEQUENCE PIEXXXXXXX XYKISYDPIK AQKVVELQRL RGGLFEMLTA CRLPWVEVGL DATA SEQUENCE SLDYYPKLLK AITGVTYTWD DLYKAADRVY SLIRAYWVRE FNGKWDRKMD DATA SEQUENCE YPPKRWFTEG LKSGPHKGEH LDEKKYDELL SEYYRIRGWD ERGIPKKETL DATA SEQUENCE KELDLDFVIP ELEKVTNLE 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 0.000 176.118 176.300 -0.303 0.000 1.140 1 M CA 0.000 55.196 55.300 -0.173 0.000 0.988 1 M CB 0.000 32.633 32.600 0.056 0.000 1.302 2 Y N 0.042 120.352 120.300 0.016 0.000 2.496 2 Y HA 0.782 5.331 4.550 -0.000 0.000 0.331 2 Y C 1.274 177.053 175.900 -0.201 0.000 1.140 2 Y CA 1.024 59.054 58.100 -0.116 0.000 1.166 2 Y CB 1.804 40.189 38.460 -0.126 0.000 1.249 2 Y HN 1.100 nan 8.280 nan 0.000 0.479 3 G N -0.033 108.664 108.800 -0.172 0.000 5.452 3 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.310 3 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.310 3 G C -0.083 174.587 174.900 -0.383 0.000 1.392 3 G CA 0.002 44.861 45.100 -0.403 0.000 0.942 3 G HN 0.566 nan 8.290 nan 0.000 0.776 4 W N 0.614 121.849 121.300 -0.108 0.000 2.202 4 W HA 0.558 5.218 4.660 -0.000 0.000 0.332 4 W C 0.935 177.380 176.519 -0.123 0.000 1.263 4 W CA -0.384 56.928 57.345 -0.054 0.000 1.223 4 W CB 0.087 29.556 29.460 0.016 0.000 1.128 4 W HN 0.460 nan 8.180 nan 0.000 0.573 5 W N -0.167 121.292 121.300 0.265 0.000 2.704 5 W HA 0.169 4.829 4.660 -0.000 0.000 0.266 5 W C 1.843 178.398 176.519 0.060 0.000 1.266 5 W CA 0.709 58.131 57.345 0.130 0.000 1.377 5 W CB 0.029 29.561 29.460 0.119 0.000 1.082 5 W HN 0.695 nan 8.180 nan 0.000 0.608 6 G N 1.525 110.468 108.800 0.238 0.000 2.198 6 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 6 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 6 G C -0.058 174.878 174.900 0.060 0.000 1.025 6 G CA -0.208 44.722 45.100 -0.282 0.000 0.769 6 G HN 0.275 nan 8.290 nan 0.000 0.507 7 R N -0.964 119.791 120.500 0.425 0.000 2.628 7 R HA 0.717 5.057 4.340 -0.000 0.000 0.288 7 R C -0.455 176.150 176.300 0.508 0.000 0.980 7 R CA -0.867 55.484 56.100 0.418 0.000 0.891 7 R CB 1.848 32.308 30.300 0.267 0.000 1.188 7 R HN 0.201 nan 8.270 nan 0.000 0.450 8 I N 3.443 124.258 120.570 0.407 0.000 2.418 8 I HA 0.204 4.373 4.170 -0.000 0.000 0.287 8 I C -0.734 175.478 176.117 0.159 0.000 1.008 8 I CA -1.137 60.330 61.300 0.278 0.000 1.104 8 I CB 1.924 40.037 38.000 0.189 0.000 1.264 8 I HN 0.308 nan 8.210 nan 0.000 0.438 9 L N 7.618 128.847 121.223 0.010 0.000 2.367 9 L HA 0.346 4.685 4.340 -0.000 0.000 0.275 9 L C -0.315 176.493 176.870 -0.103 0.000 1.129 9 L CA 0.392 55.088 54.840 -0.240 0.000 0.839 9 L CB -0.009 41.575 42.059 -0.792 0.000 1.133 9 L HN 0.446 nan 8.230 nan 0.000 0.453 10 R N 4.767 125.224 120.500 -0.071 0.000 2.393 10 R HA 0.578 4.918 4.340 -0.000 0.000 0.315 10 R C -1.451 174.825 176.300 -0.039 0.000 0.952 10 R CA -0.643 55.438 56.100 -0.032 0.000 0.842 10 R CB 1.626 31.922 30.300 -0.006 0.000 1.163 10 R HN 0.463 nan 8.270 nan 0.000 0.450 11 V N 3.613 123.512 119.914 -0.026 0.000 2.444 11 V HA 0.296 4.415 4.120 -0.000 0.000 0.294 11 V C -0.099 175.989 176.094 -0.009 0.000 1.022 11 V CA -0.975 61.312 62.300 -0.021 0.000 0.850 11 V CB 1.952 33.764 31.823 -0.020 0.000 0.992 11 V HN 0.538 nan 8.190 nan 0.000 0.426 12 N N 4.574 123.265 118.700 -0.014 0.000 2.501 12 N HA 0.375 5.115 4.740 -0.000 0.000 0.245 12 N C 0.663 176.165 175.510 -0.015 0.000 0.974 12 N CA -0.365 52.676 53.050 -0.014 0.000 0.941 12 N CB 1.583 40.059 38.487 -0.018 0.000 1.122 12 N HN 0.649 nan 8.380 nan 0.000 0.507 13 L N 1.754 122.972 121.223 -0.009 0.000 2.291 13 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 13 L C 1.743 178.600 176.870 -0.021 0.000 1.120 13 L CA 0.896 55.729 54.840 -0.012 0.000 0.799 13 L CB -0.191 41.867 42.059 -0.001 0.000 0.925 13 L HN 0.463 nan 8.230 nan 0.000 0.446 14 T N -1.221 113.320 114.554 -0.021 0.000 2.770 14 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 14 T C 1.927 176.612 174.700 -0.025 0.000 1.039 14 T CA 1.946 64.031 62.100 -0.025 0.000 1.142 14 T CB -0.179 68.674 68.868 -0.024 0.000 0.868 14 T HN 0.504 nan 8.240 nan 0.000 0.435 15 T N -1.509 113.031 114.554 -0.023 0.000 3.051 15 T HA 0.386 4.736 4.350 -0.000 0.000 0.255 15 T C 1.879 176.565 174.700 -0.023 0.000 1.085 15 T CA 0.947 63.033 62.100 -0.023 0.000 1.109 15 T CB -0.058 68.797 68.868 -0.020 0.000 0.921 15 T HN 0.534 nan 8.240 nan 0.000 0.488 16 G N 1.339 110.125 108.800 -0.024 0.000 2.176 16 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.253 16 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.253 16 G C -0.159 174.726 174.900 -0.025 0.000 0.979 16 G CA 0.226 45.310 45.100 -0.027 0.000 0.641 16 G HN 0.864 nan 8.290 nan 0.000 0.530 17 E N 0.369 120.556 120.200 -0.021 0.000 2.344 17 E HA 0.451 4.801 4.350 -0.000 0.000 0.270 17 E C -0.289 176.300 176.600 -0.019 0.000 1.021 17 E CA -0.331 56.059 56.400 -0.018 0.000 0.887 17 E CB 0.867 30.558 29.700 -0.014 0.000 0.997 17 E HN 0.164 nan 8.360 nan 0.000 0.429 18 V N 5.515 125.419 119.914 -0.018 0.000 2.540 18 V HA 0.437 4.557 4.120 -0.000 0.000 0.302 18 V C -0.327 175.760 176.094 -0.012 0.000 1.035 18 V CA -0.570 61.716 62.300 -0.023 0.000 0.873 18 V CB 1.544 33.350 31.823 -0.028 0.000 0.992 18 V HN 0.778 nan 8.190 nan 0.000 0.428 19 K N 2.804 123.198 120.400 -0.011 0.000 2.533 19 K HA 0.858 5.178 4.320 -0.000 0.000 0.284 19 K C -2.044 174.569 176.600 0.022 0.000 1.025 19 K CA -0.944 55.350 56.287 0.011 0.000 0.900 19 K CB 2.410 34.920 32.500 0.016 0.000 1.519 19 K HN 0.210 nan 8.250 nan 0.000 0.432 20 V N 1.498 121.448 119.914 0.059 0.000 2.448 20 V HA 0.277 4.396 4.120 -0.000 0.000 0.295 20 V C -0.663 175.499 176.094 0.113 0.000 1.025 20 V CA -0.645 61.717 62.300 0.104 0.000 0.859 20 V CB 1.283 33.201 31.823 0.158 0.000 0.988 20 V HN 0.753 nan 8.190 nan 0.000 0.431 21 Q N 3.820 123.703 119.800 0.139 0.000 2.278 21 Q HA 0.383 4.723 4.340 -0.000 0.000 0.257 21 Q C -0.452 175.690 176.000 0.236 0.000 0.928 21 Q CA -0.384 55.516 55.803 0.162 0.000 0.932 21 Q CB 1.438 30.269 28.738 0.155 0.000 1.221 21 Q HN 0.823 nan 8.270 nan 0.000 0.434 22 E N 3.836 124.156 120.200 0.200 0.000 2.174 22 E HA 0.196 4.546 4.350 -0.000 0.000 0.282 22 E C -1.480 175.271 176.600 0.252 0.000 0.992 22 E CA -0.545 55.968 56.400 0.190 0.000 0.803 22 E CB 0.634 30.397 29.700 0.105 0.000 1.090 22 E HN 0.539 nan 8.360 nan 0.000 0.396 23 Y N 2.619 122.989 120.300 0.115 0.000 2.509 23 Y HA 0.659 5.208 4.550 -0.000 0.000 0.341 23 Y C -2.562 173.336 175.900 -0.004 0.000 1.038 23 Y CA -3.362 54.801 58.100 0.104 0.000 1.089 23 Y CB 0.122 38.673 38.460 0.151 0.000 1.241 23 Y HN 0.304 nan 8.280 nan 0.000 0.468 24 P HA 0.077 nan 4.420 nan 0.000 0.268 24 P C -0.158 176.948 177.300 -0.324 0.000 1.205 24 P CA 0.025 63.035 63.100 -0.150 0.000 0.771 24 P CB 1.316 32.986 31.700 -0.049 0.000 0.858 25 E N 1.176 121.189 120.200 -0.312 0.000 2.118 25 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 25 E C 1.575 177.945 176.600 -0.384 0.000 0.992 25 E CA 1.280 57.450 56.400 -0.383 0.000 0.804 25 E CB -0.034 29.519 29.700 -0.244 0.000 0.741 25 E HN 0.573 nan 8.360 nan 0.000 0.458 26 E N 1.069 121.118 120.200 -0.252 0.000 2.085 26 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 26 E C 1.991 178.449 176.600 -0.237 0.000 0.994 26 E CA 1.079 57.354 56.400 -0.209 0.000 0.801 26 E CB -0.150 29.474 29.700 -0.127 0.000 0.743 26 E HN 0.049 nan 8.360 nan 0.000 0.453 27 V N 0.742 120.510 119.914 -0.244 0.000 2.358 27 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 27 V C 2.387 178.364 176.094 -0.194 0.000 1.047 27 V CA 1.721 63.864 62.300 -0.261 0.000 1.035 27 V CB -0.945 30.521 31.823 -0.596 0.000 0.658 27 V HN 0.468 nan 8.190 nan 0.000 0.452 28 A N -0.128 122.500 122.820 -0.320 0.000 1.902 28 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 28 A C 2.281 179.434 177.584 -0.718 0.000 1.181 28 A CA 2.057 53.732 52.037 -0.603 0.000 0.623 28 A CB -0.407 17.794 19.000 -1.331 0.000 0.818 28 A HN 0.548 nan 8.150 nan 0.000 0.443 29 K N -0.063 119.938 120.400 -0.665 0.000 2.103 29 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 29 K C 2.052 178.630 176.600 -0.037 0.000 1.052 29 K CA 1.576 57.702 56.287 -0.268 0.000 0.945 29 K CB -0.087 32.266 32.500 -0.246 0.000 0.722 29 K HN 0.726 nan 8.250 nan 0.000 0.443 30 K N -0.548 119.735 120.400 -0.195 0.000 2.305 30 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 30 K C 1.080 177.390 176.600 -0.482 0.000 1.047 30 K CA 0.968 57.059 56.287 -0.326 0.000 0.976 30 K CB 0.148 32.362 32.500 -0.475 0.000 0.765 30 K HN -0.012 nan 8.250 nan 0.000 0.474 31 F N 0.909 120.834 119.950 -0.041 0.000 2.720 31 F HA 0.365 4.892 4.527 -0.000 0.000 0.301 31 F C 1.191 177.027 175.800 0.060 0.000 1.103 31 F CA -0.569 57.429 58.000 -0.003 0.000 1.291 31 F CB 0.101 39.060 39.000 -0.069 0.000 1.086 31 F HN -0.125 nan 8.300 nan 0.000 0.592 32 I N -0.857 119.858 120.570 0.240 0.000 4.473 32 I HA -0.422 3.747 4.170 -0.000 0.000 0.062 32 I C 1.102 177.486 176.117 0.445 0.000 0.603 32 I CA 1.594 63.111 61.300 0.361 0.000 0.966 32 I CB -1.453 36.632 38.000 0.141 0.000 0.870 32 I HN 0.325 nan 8.210 nan 0.000 0.168 33 G N -1.752 107.225 108.800 0.295 0.000 2.333 33 G HA2 0.527 4.487 3.960 -0.000 0.000 0.288 33 G HA3 0.527 4.487 3.960 -0.000 0.000 0.288 33 G C 0.122 175.140 174.900 0.197 0.000 1.286 33 G CA 0.142 45.407 45.100 0.275 0.000 0.865 33 G HN 1.480 nan 8.290 nan 0.000 0.506 34 G N 0.134 109.046 108.800 0.186 0.000 2.672 34 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.324 34 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.324 34 G C 1.567 176.561 174.900 0.158 0.000 1.286 34 G CA 2.156 47.354 45.100 0.162 0.000 1.004 34 G HN 1.533 nan 8.290 nan 0.000 0.548 35 R N 1.166 121.762 120.500 0.160 0.000 2.105 35 R HA -0.034 4.306 4.340 -0.000 0.000 0.239 35 R C 2.826 179.213 176.300 0.145 0.000 1.135 35 R CA 2.520 58.728 56.100 0.181 0.000 0.967 35 R CB -1.067 29.337 30.300 0.174 0.000 0.861 35 R HN 0.732 nan 8.270 nan 0.000 0.442 36 G N 1.359 110.260 108.800 0.170 0.000 2.433 36 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.216 36 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.216 36 G C 1.298 176.291 174.900 0.155 0.000 1.186 36 G CA 0.704 45.954 45.100 0.248 0.000 0.779 36 G HN 0.325 nan 8.290 nan 0.000 0.543 37 L N 1.277 122.584 121.223 0.139 0.000 2.093 37 L HA 0.211 4.551 4.340 -0.000 0.000 0.208 37 L C 3.056 179.975 176.870 0.082 0.000 1.085 37 L CA 1.983 56.859 54.840 0.061 0.000 0.755 37 L CB -0.597 41.497 42.059 0.058 0.000 0.904 37 L HN 0.238 nan 8.230 nan 0.000 0.435 38 A N -0.587 122.293 122.820 0.100 0.000 1.933 38 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 38 A C 2.439 180.092 177.584 0.116 0.000 1.175 38 A CA 1.657 53.758 52.037 0.108 0.000 0.628 38 A CB -1.064 18.030 19.000 0.157 0.000 0.814 38 A HN 0.537 nan 8.150 nan 0.000 0.444 39 A N -1.537 121.323 122.820 0.067 0.000 1.930 39 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 39 A C 1.966 179.541 177.584 -0.015 0.000 1.175 39 A CA 1.530 53.532 52.037 -0.058 0.000 0.627 39 A CB -0.853 18.014 19.000 -0.222 0.000 0.815 39 A HN 0.867 nan 8.150 nan 0.000 0.443 40 W N 0.755 121.828 121.300 -0.379 0.000 2.355 40 W HA -0.167 4.493 4.660 -0.000 0.000 0.309 40 W C 1.742 178.165 176.519 -0.161 0.000 1.206 40 W CA 1.943 59.006 57.345 -0.470 0.000 1.284 40 W CB -0.347 28.541 29.460 -0.953 0.000 1.145 40 W HN 0.290 nan 8.180 nan 0.000 0.502 41 I N 0.315 120.786 120.570 -0.165 0.000 2.142 41 I HA -0.359 3.811 4.170 -0.000 0.000 0.240 41 I C 2.527 178.511 176.117 -0.222 0.000 1.078 41 I CA 1.543 62.649 61.300 -0.322 0.000 1.343 41 I CB -0.863 37.058 38.000 -0.132 0.000 1.046 41 I HN -0.001 nan 8.210 nan 0.000 0.405 42 L N -0.221 120.933 121.223 -0.115 0.000 2.083 42 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 42 L C 2.520 179.392 176.870 0.005 0.000 1.083 42 L CA 1.382 56.148 54.840 -0.123 0.000 0.752 42 L CB -0.679 41.215 42.059 -0.274 0.000 0.899 42 L HN 0.579 nan 8.230 nan 0.000 0.433 43 W N 1.653 122.913 121.300 -0.067 0.000 2.335 43 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 43 W C 2.086 178.613 176.519 0.012 0.000 1.213 43 W CA 1.719 59.144 57.345 0.133 0.000 1.274 43 W CB -0.305 29.232 29.460 0.129 0.000 1.148 43 W HN 0.277 nan 8.180 nan 0.000 0.498 44 N N 0.273 118.910 118.700 -0.105 0.000 2.354 44 N HA -0.108 4.631 4.740 -0.000 0.000 0.179 44 N C 1.006 176.369 175.510 -0.245 0.000 1.021 44 N CA 1.459 54.361 53.050 -0.246 0.000 0.887 44 N CB -0.187 38.059 38.487 -0.402 0.000 0.974 44 N HN 0.476 nan 8.380 nan 0.000 0.437 45 E N -0.618 119.459 120.200 -0.205 0.000 2.562 45 E HA 0.273 4.623 4.350 -0.000 0.000 0.214 45 E C -0.068 176.468 176.600 -0.107 0.000 0.979 45 E CA -0.158 56.146 56.400 -0.159 0.000 1.002 45 E CB 0.988 30.590 29.700 -0.163 0.000 1.048 45 E HN 0.108 nan 8.360 nan 0.000 0.488 46 A N 2.028 124.812 122.820 -0.061 0.000 2.985 46 A HA 0.242 4.561 4.320 -0.000 0.000 0.303 46 A C -0.073 177.515 177.584 0.007 0.000 1.048 46 A CA -0.441 51.598 52.037 0.003 0.000 1.016 46 A CB -0.188 18.849 19.000 0.060 0.000 1.118 46 A HN -0.007 nan 8.150 nan 0.000 0.529 47 R N 0.601 121.027 120.500 -0.123 0.000 2.220 47 R HA 0.416 4.756 4.340 -0.000 0.000 0.340 47 R C 1.101 177.291 176.300 -0.183 0.000 1.076 47 R CA 1.024 56.989 56.100 -0.225 0.000 0.920 47 R CB -0.018 30.112 30.300 -0.283 0.000 1.062 47 R HN 1.036 nan 8.270 nan 0.000 0.469 48 G N 2.915 111.593 108.800 -0.203 0.000 2.168 48 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 48 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 48 G C 0.173 175.004 174.900 -0.115 0.000 0.997 48 G CA 0.441 45.447 45.100 -0.158 0.000 0.708 48 G HN 0.681 nan 8.290 nan 0.000 0.520 49 V N -2.989 116.867 119.914 -0.096 0.000 2.953 49 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 49 V C 0.506 176.559 176.094 -0.069 0.000 1.073 49 V CA -1.242 61.014 62.300 -0.073 0.000 1.064 49 V CB 1.627 33.415 31.823 -0.058 0.000 1.047 49 V HN 0.169 nan 8.190 nan 0.000 0.478 50 E N 3.535 123.698 120.200 -0.061 0.000 2.259 50 E HA 0.267 4.617 4.350 -0.000 0.000 0.281 50 E C -1.825 174.745 176.600 -0.050 0.000 1.037 50 E CA -2.074 54.291 56.400 -0.058 0.000 0.854 50 E CB 1.608 31.277 29.700 -0.051 0.000 1.051 50 E HN 0.564 nan 8.360 nan 0.000 0.409 51 P HA -0.138 nan 4.420 nan 0.000 0.217 51 P C 0.763 178.039 177.300 -0.040 0.000 1.148 51 P CA 1.180 64.251 63.100 -0.047 0.000 0.828 51 P CB 0.269 31.940 31.700 -0.048 0.000 0.783 52 L N -1.884 119.318 121.223 -0.035 0.000 2.700 52 L HA 0.163 4.503 4.340 -0.000 0.000 0.234 52 L C 0.961 177.819 176.870 -0.021 0.000 1.156 52 L CA -0.248 54.577 54.840 -0.024 0.000 0.946 52 L CB -0.225 41.822 42.059 -0.021 0.000 1.216 52 L HN -0.029 nan 8.230 nan 0.000 0.493 53 S N -0.884 114.799 115.700 -0.029 0.000 2.646 53 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 53 S C -1.558 173.026 174.600 -0.027 0.000 1.222 53 S CA -1.218 56.965 58.200 -0.028 0.000 1.014 53 S CB 1.057 64.236 63.200 -0.035 0.000 0.991 53 S HN -0.100 nan 8.310 nan 0.000 0.533 54 P HA -0.063 nan 4.420 nan 0.000 0.223 54 P C 0.517 177.799 177.300 -0.029 0.000 1.144 54 P CA 1.051 64.137 63.100 -0.023 0.000 0.783 54 P CB -0.016 31.669 31.700 -0.024 0.000 0.771 55 E N -0.742 119.436 120.200 -0.036 0.000 2.358 55 E HA -0.035 4.314 4.350 -0.000 0.000 0.195 55 E C 0.951 177.523 176.600 -0.046 0.000 1.010 55 E CA 0.072 56.446 56.400 -0.043 0.000 0.856 55 E CB -0.727 28.944 29.700 -0.048 0.000 0.795 55 E HN 0.210 nan 8.360 nan 0.000 0.504 56 N N 1.768 120.442 118.700 -0.044 0.000 2.479 56 N HA -0.028 4.712 4.740 -0.000 0.000 0.257 56 N C -0.689 174.788 175.510 -0.055 0.000 1.232 56 N CA 0.153 53.174 53.050 -0.049 0.000 0.920 56 N CB 0.482 38.939 38.487 -0.049 0.000 1.105 56 N HN -0.261 nan 8.380 nan 0.000 0.444 57 K N 2.600 122.957 120.400 -0.072 0.000 2.235 57 K HA 0.299 4.619 4.320 -0.000 0.000 0.266 57 K C -0.794 175.740 176.600 -0.111 0.000 0.980 57 K CA -0.821 55.418 56.287 -0.079 0.000 0.849 57 K CB 1.390 33.838 32.500 -0.087 0.000 1.098 57 K HN 0.436 nan 8.250 nan 0.000 0.445 58 L N 5.086 126.247 121.223 -0.104 0.000 2.255 58 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 58 L C -0.784 175.932 176.870 -0.256 0.000 1.046 58 L CA -0.219 54.506 54.840 -0.192 0.000 0.816 58 L CB 0.276 42.262 42.059 -0.122 0.000 1.197 58 L HN 0.507 nan 8.230 nan 0.000 0.427 59 I N 5.434 125.789 120.570 -0.360 0.000 2.404 59 I HA 0.328 4.498 4.170 -0.000 0.000 0.293 59 I C -0.998 174.849 176.117 -0.450 0.000 0.992 59 I CA -0.317 60.820 61.300 -0.271 0.000 1.149 59 I CB 1.211 39.133 38.000 -0.130 0.000 1.315 59 I HN 0.421 nan 8.210 nan 0.000 0.446 60 F N 5.292 125.269 119.950 0.045 0.000 2.366 60 F HA 0.605 5.132 4.527 -0.000 0.000 0.366 60 F C 0.394 176.251 175.800 0.094 0.000 1.096 60 F CA -0.545 57.498 58.000 0.071 0.000 1.060 60 F CB 1.368 40.410 39.000 0.070 0.000 1.282 60 F HN 0.408 nan 8.300 nan 0.000 0.450 61 A N 2.359 125.304 122.820 0.208 0.000 2.303 61 A HA 0.910 5.229 4.320 -0.000 0.000 0.320 61 A C -0.409 177.305 177.584 0.216 0.000 1.192 61 A CA -0.346 51.808 52.037 0.196 0.000 0.821 61 A CB 0.676 19.762 19.000 0.143 0.000 1.188 61 A HN 0.773 nan 8.150 nan 0.000 0.492 62 A N 1.757 124.722 122.820 0.242 0.000 2.352 62 A HA 0.990 5.310 4.320 -0.000 0.000 0.299 62 A C 0.436 178.170 177.584 0.249 0.000 1.160 62 A CA -0.146 52.036 52.037 0.243 0.000 0.933 62 A CB 1.085 20.245 19.000 0.267 0.000 1.387 62 A HN 1.886 nan 8.150 nan 0.000 0.487 63 G N -2.426 106.514 108.800 0.233 0.000 2.766 63 G HA2 0.580 4.540 3.960 -0.000 0.000 0.288 63 G HA3 0.580 4.540 3.960 -0.000 0.000 0.288 63 G C -2.382 172.626 174.900 0.180 0.000 1.408 63 G CA -0.745 44.492 45.100 0.228 0.000 0.852 63 G HN 0.339 nan 8.290 nan 0.000 0.487 64 P HA -0.101 nan 4.420 nan 0.000 0.219 64 P C 1.254 178.583 177.300 0.048 0.000 1.146 64 P CA 0.925 63.960 63.100 -0.108 0.000 0.808 64 P CB 0.122 31.533 31.700 -0.482 0.000 0.779 65 F N 0.330 120.217 119.950 -0.104 0.000 2.325 65 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 65 F C 1.102 176.879 175.800 -0.038 0.000 1.090 65 F CA 0.187 58.141 58.000 -0.077 0.000 1.392 65 F CB -1.538 37.456 39.000 -0.011 0.000 1.053 65 F HN -0.081 nan 8.300 nan 0.000 0.521 66 N N -0.490 118.339 118.700 0.215 0.000 2.513 66 N HA 0.377 5.117 4.740 -0.000 0.000 0.268 66 N C 1.112 176.702 175.510 0.133 0.000 1.180 66 N CA 0.788 53.949 53.050 0.184 0.000 0.948 66 N CB 0.619 39.236 38.487 0.217 0.000 1.083 66 N HN 0.231 nan 8.380 nan 0.000 0.455 67 G N 0.505 109.390 108.800 0.142 0.000 2.217 67 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.246 67 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.246 67 G C -0.129 174.790 174.900 0.033 0.000 0.990 67 G CA -0.244 44.934 45.100 0.130 0.000 0.627 67 G HN 0.391 nan 8.290 nan 0.000 0.522 68 L N 0.582 121.743 121.223 -0.103 0.000 2.330 68 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 68 L C -2.266 174.216 176.870 -0.646 0.000 1.013 68 L CA -2.458 52.217 54.840 -0.275 0.000 0.816 68 L CB 2.060 43.958 42.059 -0.268 0.000 1.287 68 L HN -0.202 nan 8.230 nan 0.000 0.435 69 P HA 0.076 nan 4.420 nan 0.000 0.244 69 P C -0.848 176.158 177.300 -0.491 0.000 1.769 69 P CA -0.152 62.354 63.100 -0.989 0.000 1.102 69 P CB -0.230 31.245 31.700 -0.375 0.000 1.937 70 T N -0.340 113.937 114.554 -0.462 0.000 2.859 70 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 70 T C -2.713 171.902 174.700 -0.141 0.000 1.005 70 T CA -3.188 58.717 62.100 -0.325 0.000 1.025 70 T CB 1.062 69.695 68.868 -0.391 0.000 0.977 70 T HN -0.024 nan 8.240 nan 0.000 0.458 71 P HA 0.051 nan 4.420 nan 0.000 0.258 71 P C 0.061 177.428 177.300 0.112 0.000 1.187 71 P CA 0.366 63.257 63.100 -0.348 0.000 0.767 71 P CB -0.018 31.288 31.700 -0.657 0.000 0.770 72 S N 1.942 117.803 115.700 0.267 0.000 3.549 72 S HA -0.169 4.301 4.470 -0.000 0.000 0.366 72 S C 1.111 175.889 174.600 0.298 0.000 1.012 72 S CA 0.993 59.365 58.200 0.286 0.000 1.141 72 S CB -1.895 61.441 63.200 0.226 0.000 0.910 72 S HN 0.883 nan 8.310 nan 0.000 0.471 73 G N 0.100 109.094 108.800 0.323 0.000 3.949 73 G HA2 0.479 4.439 3.960 -0.000 0.000 0.295 73 G HA3 0.479 4.439 3.960 -0.000 0.000 0.295 73 G C 0.524 175.616 174.900 0.319 0.000 1.286 73 G CA 0.161 45.463 45.100 0.336 0.000 1.171 73 G HN 0.686 nan 8.290 nan 0.000 0.586 74 G N 0.424 109.408 108.800 0.306 0.000 3.936 74 G HA2 0.284 4.244 3.960 -0.000 0.000 0.296 74 G HA3 0.284 4.244 3.960 -0.000 0.000 0.296 74 G C 0.494 175.521 174.900 0.211 0.000 1.121 74 G CA -0.383 44.880 45.100 0.272 0.000 0.899 74 G HN 0.112 nan 8.290 nan 0.000 0.542 75 K N 0.024 120.549 120.400 0.209 0.000 2.090 75 K HA 0.696 5.016 4.320 -0.000 0.000 0.249 75 K C -0.992 175.720 176.600 0.187 0.000 0.995 75 K CA -0.778 55.619 56.287 0.184 0.000 0.914 75 K CB 2.339 34.944 32.500 0.174 0.000 1.057 75 K HN 0.176 nan 8.250 nan 0.000 0.462 76 L N -0.090 121.242 121.223 0.182 0.000 2.513 76 L HA 0.320 4.660 4.340 -0.000 0.000 0.261 76 L C -1.551 175.430 176.870 0.185 0.000 0.945 76 L CA -0.672 54.287 54.840 0.198 0.000 0.848 76 L CB 2.173 44.364 42.059 0.221 0.000 1.334 76 L HN 0.282 nan 8.230 nan 0.000 0.407 77 V N 4.622 124.642 119.914 0.177 0.000 2.481 77 V HA 0.621 4.741 4.120 -0.000 0.000 0.286 77 V C -0.514 175.638 176.094 0.098 0.000 1.042 77 V CA -0.578 61.805 62.300 0.139 0.000 0.928 77 V CB 1.764 33.668 31.823 0.135 0.000 0.986 77 V HN 0.522 nan 8.190 nan 0.000 0.462 78 V N 4.087 124.020 119.914 0.032 0.000 2.409 78 V HA 0.890 5.010 4.120 -0.000 0.000 0.291 78 V C 0.165 176.160 176.094 -0.164 0.000 1.020 78 V CA -0.288 61.933 62.300 -0.133 0.000 0.848 78 V CB 1.316 33.086 31.823 -0.089 0.000 0.990 78 V HN 1.043 nan 8.190 nan 0.000 0.430 79 A N 3.799 126.467 122.820 -0.253 0.000 2.515 79 A HA 1.097 5.417 4.320 -0.000 0.000 0.296 79 A C -0.508 176.891 177.584 -0.309 0.000 1.094 79 A CA -0.100 51.767 52.037 -0.284 0.000 0.718 79 A CB 2.215 21.076 19.000 -0.231 0.000 1.307 79 A HN 1.991 nan 8.150 nan 0.000 0.408 80 A N 0.389 122.996 122.820 -0.355 0.000 2.522 80 A HA 0.606 4.926 4.320 -0.000 0.000 0.291 80 A C -0.846 176.558 177.584 -0.299 0.000 1.039 80 A CA -0.412 51.460 52.037 -0.274 0.000 0.643 80 A CB 0.373 19.253 19.000 -0.199 0.000 1.310 80 A HN 1.105 nan 8.150 nan 0.000 0.436 81 K N 0.818 121.106 120.400 -0.186 0.000 2.412 81 K HA 0.354 4.674 4.320 -0.000 0.000 0.281 81 K C 0.278 176.806 176.600 -0.120 0.000 1.027 81 K CA 0.431 56.652 56.287 -0.109 0.000 0.989 81 K CB 0.473 32.986 32.500 0.022 0.000 0.935 81 K HN 0.795 nan 8.250 nan 0.000 0.475 82 S N 5.334 120.956 115.700 -0.130 0.000 2.505 82 S HA 0.185 4.655 4.470 -0.000 0.000 0.276 82 S C -1.483 173.093 174.600 -0.040 0.000 1.274 82 S CA -1.544 56.607 58.200 -0.082 0.000 1.053 82 S CB 0.864 64.031 63.200 -0.056 0.000 0.919 82 S HN 0.590 nan 8.310 nan 0.000 0.490 83 P HA -0.004 nan 4.420 nan 0.000 0.231 83 P C 1.267 178.568 177.300 0.003 0.000 1.168 83 P CA 0.234 63.321 63.100 -0.022 0.000 0.779 83 P CB 0.171 31.854 31.700 -0.028 0.000 0.844 84 L N 0.622 121.865 121.223 0.034 0.000 2.202 84 L HA 0.047 4.386 4.340 -0.000 0.000 0.205 84 L C 2.135 179.069 176.870 0.106 0.000 1.083 84 L CA 2.301 57.185 54.840 0.073 0.000 0.790 84 L CB -1.103 41.025 42.059 0.116 0.000 0.942 84 L HN 0.001 nan 8.230 nan 0.000 0.452 85 T N -5.377 109.262 114.554 0.142 0.000 2.990 85 T HA 0.340 4.689 4.350 -0.000 0.000 0.249 85 T C 1.488 176.341 174.700 0.255 0.000 1.039 85 T CA 0.392 62.658 62.100 0.276 0.000 1.036 85 T CB 0.312 69.451 68.868 0.452 0.000 0.994 85 T HN 0.487 nan 8.240 nan 0.000 0.489 86 G N 0.621 109.458 108.800 0.062 0.000 2.179 86 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.260 86 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.260 86 G C 0.469 175.353 174.900 -0.027 0.000 0.977 86 G CA 0.070 45.167 45.100 -0.005 0.000 0.641 86 G HN 1.091 nan 8.290 nan 0.000 0.533 87 G N -1.363 107.212 108.800 -0.375 0.000 3.107 87 G HA2 0.600 4.560 3.960 -0.000 0.000 0.232 87 G HA3 0.600 4.560 3.960 -0.000 0.000 0.232 87 G C -0.387 174.128 174.900 -0.641 0.000 1.339 87 G CA -0.518 43.954 45.100 -1.047 0.000 1.033 87 G HN 0.844 nan 8.290 nan 0.000 0.567 88 Y N 0.667 120.484 120.300 -0.805 0.000 2.544 88 Y HA 0.451 5.001 4.550 -0.000 0.000 0.330 88 Y C 0.443 176.272 175.900 -0.119 0.000 1.136 88 Y CA 0.262 58.159 58.100 -0.338 0.000 1.417 88 Y CB 0.460 38.817 38.460 -0.171 0.000 1.229 88 Y HN 0.495 nan 8.280 nan 0.000 0.532 89 G N 5.161 113.488 108.800 -0.789 0.000 2.617 89 G HA2 0.531 4.491 3.960 -0.000 0.000 0.306 89 G HA3 0.531 4.491 3.960 -0.000 0.000 0.306 89 G C -1.968 172.575 174.900 -0.596 0.000 1.360 89 G CA -0.674 44.160 45.100 -0.443 0.000 0.983 89 G HN 0.783 nan 8.290 nan 0.000 0.496 90 D N -0.285 119.973 120.400 -0.236 0.000 2.643 90 D HA 0.764 5.404 4.640 -0.000 0.000 0.283 90 D C 0.005 176.334 176.300 0.049 0.000 1.242 90 D CA -0.419 53.510 54.000 -0.118 0.000 0.863 90 D CB 1.267 42.036 40.800 -0.052 0.000 1.382 90 D HN 0.931 nan 8.370 nan 0.000 0.444 91 G N -0.753 108.084 108.800 0.063 0.000 2.682 91 G HA2 0.510 4.470 3.960 -0.000 0.000 0.290 91 G HA3 0.510 4.470 3.960 -0.000 0.000 0.290 91 G C -1.721 173.246 174.900 0.111 0.000 1.425 91 G CA -0.835 44.333 45.100 0.114 0.000 0.807 91 G HN 0.605 nan 8.290 nan 0.000 0.482 92 N N -0.822 117.954 118.700 0.127 0.000 2.242 92 N HA 0.682 5.422 4.740 -0.000 0.000 0.292 92 N C -1.194 174.400 175.510 0.140 0.000 1.125 92 N CA -0.506 52.623 53.050 0.131 0.000 0.783 92 N CB 2.357 40.915 38.487 0.118 0.000 1.558 92 N HN 0.908 nan 8.380 nan 0.000 0.472 93 L N -0.641 120.671 121.223 0.149 0.000 2.466 93 L HA 0.829 5.169 4.340 -0.000 0.000 0.258 93 L C -0.238 176.720 176.870 0.147 0.000 0.973 93 L CA -0.909 54.018 54.840 0.145 0.000 0.826 93 L CB 1.855 44.002 42.059 0.147 0.000 1.372 93 L HN 0.480 nan 8.230 nan 0.000 0.409 94 G N 0.326 109.207 108.800 0.135 0.000 2.353 94 G HA2 0.533 4.493 3.960 -0.000 0.000 0.284 94 G HA3 0.533 4.493 3.960 -0.000 0.000 0.284 94 G C -0.554 174.419 174.900 0.122 0.000 1.172 94 G CA 0.056 45.237 45.100 0.134 0.000 0.854 94 G HN 0.910 nan 8.290 nan 0.000 0.485 95 T N 1.720 116.349 114.554 0.125 0.000 2.977 95 T HA 0.215 4.565 4.350 -0.000 0.000 0.345 95 T C 1.036 175.803 174.700 0.112 0.000 1.562 95 T CA -0.697 61.469 62.100 0.110 0.000 1.090 95 T CB 1.183 70.122 68.868 0.118 0.000 1.383 95 T HN 0.188 nan 8.240 nan 0.000 0.484 96 M N 2.340 122.001 119.600 0.101 0.000 2.446 96 M HA 0.074 4.554 4.480 -0.000 0.000 0.263 96 M C 2.373 178.787 176.300 0.190 0.000 1.066 96 M CA 1.548 56.919 55.300 0.118 0.000 1.087 96 M CB -1.565 31.127 32.600 0.152 0.000 1.406 96 M HN 0.822 nan 8.290 nan 0.000 0.459 97 A N -0.810 122.108 122.820 0.163 0.000 2.019 97 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 97 A C 2.463 180.145 177.584 0.163 0.000 1.164 97 A CA 1.963 54.090 52.037 0.151 0.000 0.644 97 A CB -0.642 18.399 19.000 0.069 0.000 0.805 97 A HN 0.485 nan 8.150 nan 0.000 0.449 98 S N -0.510 115.287 115.700 0.162 0.000 2.355 98 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 98 S C 1.914 176.622 174.600 0.180 0.000 1.031 98 S CA 1.682 59.992 58.200 0.183 0.000 0.993 98 S CB -0.491 62.823 63.200 0.189 0.000 0.859 98 S HN 0.309 nan 8.310 nan 0.000 0.453 99 V N 2.177 122.173 119.914 0.136 0.000 2.295 99 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 99 V C 2.503 178.614 176.094 0.028 0.000 1.049 99 V CA 2.016 64.367 62.300 0.086 0.000 1.024 99 V CB -0.935 30.882 31.823 -0.011 0.000 0.648 99 V HN 0.595 nan 8.190 nan 0.000 0.447 100 H N -0.835 118.310 119.070 0.125 0.000 2.389 100 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 100 H C 2.192 177.590 175.328 0.116 0.000 1.081 100 H CA 1.815 57.920 56.048 0.095 0.000 1.345 100 H CB -0.148 29.640 29.762 0.043 0.000 1.393 100 H HN 0.331 nan 8.280 nan 0.000 0.520 101 L N 1.155 122.527 121.223 0.248 0.000 2.012 101 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 101 L C 2.436 179.480 176.870 0.290 0.000 1.073 101 L CA 1.561 56.556 54.840 0.258 0.000 0.748 101 L CB -0.242 41.954 42.059 0.229 0.000 0.891 101 L HN -0.021 nan 8.230 nan 0.000 0.431 102 R N -0.366 120.306 120.500 0.286 0.000 2.090 102 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 102 R C 2.249 178.785 176.300 0.394 0.000 1.110 102 R CA 1.130 57.456 56.100 0.377 0.000 0.973 102 R CB -0.404 30.099 30.300 0.338 0.000 0.869 102 R HN 0.459 nan 8.270 nan 0.000 0.440 103 R N 0.248 120.902 120.500 0.257 0.000 2.235 103 R HA 0.051 4.391 4.340 -0.000 0.000 0.213 103 R C 1.768 178.121 176.300 0.090 0.000 1.059 103 R CA 0.843 57.076 56.100 0.222 0.000 0.997 103 R CB -0.030 30.364 30.300 0.157 0.000 0.884 103 R HN 0.104 nan 8.270 nan 0.000 0.462 104 A N 0.290 123.118 122.820 0.013 0.000 2.208 104 A HA 0.203 4.523 4.320 -0.000 0.000 0.209 104 A C 1.338 178.490 177.584 -0.719 0.000 1.161 104 A CA 0.847 52.790 52.037 -0.157 0.000 0.782 104 A CB 0.111 19.158 19.000 0.078 0.000 0.816 104 A HN 0.412 nan 8.150 nan 0.000 0.477 105 G N -2.477 105.765 108.800 -0.929 0.000 2.138 105 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.193 105 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.193 105 G C -0.316 173.547 174.900 -1.728 0.000 0.998 105 G CA 0.108 44.055 45.100 -1.922 0.000 0.668 105 G HN 0.459 nan 8.290 nan 0.000 0.516 106 Y N -0.269 119.812 120.300 -0.364 0.000 2.499 106 Y HA 0.628 5.178 4.550 -0.000 0.000 0.347 106 Y C 0.613 176.702 175.900 0.315 0.000 0.987 106 Y CA -1.384 56.724 58.100 0.012 0.000 1.044 106 Y CB 1.522 40.005 38.460 0.038 0.000 1.245 106 Y HN -0.052 nan 8.280 nan 0.000 0.461 107 D N 0.986 121.720 120.400 0.557 0.000 2.327 107 D HA 0.371 5.011 4.640 -0.000 0.000 0.205 107 D C 0.184 176.714 176.300 0.385 0.000 0.989 107 D CA 0.864 55.179 54.000 0.525 0.000 0.873 107 D CB 0.594 41.762 40.800 0.612 0.000 0.955 107 D HN 0.562 nan 8.370 nan 0.000 0.515 108 A N -0.134 122.890 122.820 0.341 0.000 2.586 108 A HA 0.561 4.881 4.320 -0.000 0.000 0.291 108 A C -2.190 175.508 177.584 0.190 0.000 1.062 108 A CA -0.690 51.497 52.037 0.249 0.000 0.666 108 A CB 1.069 20.175 19.000 0.177 0.000 1.281 108 A HN 0.031 nan 8.150 nan 0.000 0.421 109 L N 0.804 122.139 121.223 0.187 0.000 2.381 109 L HA 0.812 5.151 4.340 -0.000 0.000 0.274 109 L C -1.487 175.489 176.870 0.176 0.000 0.988 109 L CA -0.439 54.479 54.840 0.130 0.000 0.824 109 L CB 1.902 44.039 42.059 0.130 0.000 1.263 109 L HN 0.545 nan 8.230 nan 0.000 0.410 110 V N 5.700 125.666 119.914 0.087 0.000 2.409 110 V HA 0.567 4.687 4.120 -0.000 0.000 0.291 110 V C -0.431 175.693 176.094 0.051 0.000 1.020 110 V CA -0.664 61.669 62.300 0.054 0.000 0.848 110 V CB 1.798 33.624 31.823 0.006 0.000 0.990 110 V HN 0.559 nan 8.190 nan 0.000 0.430 111 V N 5.550 125.504 119.914 0.067 0.000 2.398 111 V HA 0.565 4.685 4.120 -0.000 0.000 0.286 111 V C 0.046 176.150 176.094 0.018 0.000 1.026 111 V CA -0.450 61.888 62.300 0.063 0.000 0.868 111 V CB 1.531 33.436 31.823 0.137 0.000 0.982 111 V HN 1.068 nan 8.190 nan 0.000 0.443 112 E N 3.527 123.730 120.200 0.005 0.000 2.378 112 E HA 0.843 5.192 4.350 -0.000 0.000 0.265 112 E C 0.240 176.836 176.600 -0.008 0.000 0.932 112 E CA -0.283 56.111 56.400 -0.011 0.000 0.795 112 E CB 2.260 31.945 29.700 -0.025 0.000 1.296 112 E HN 1.078 nan 8.360 nan 0.000 0.438 113 G N 0.725 109.515 108.800 -0.015 0.000 2.593 113 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 113 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 113 G C -0.873 174.022 174.900 -0.009 0.000 1.312 113 G CA 0.120 45.210 45.100 -0.016 0.000 0.896 113 G HN 0.782 nan 8.290 nan 0.000 0.574 114 K N -0.742 119.650 120.400 -0.013 0.000 2.570 114 K HA 0.646 4.966 4.320 -0.000 0.000 0.256 114 K C -0.035 176.549 176.600 -0.027 0.000 0.939 114 K CA -0.061 56.218 56.287 -0.014 0.000 0.833 114 K CB 1.327 33.817 32.500 -0.018 0.000 1.318 114 K HN 1.805 nan 8.250 nan 0.000 0.433 115 A N 3.020 125.820 122.820 -0.034 0.000 2.304 115 A HA 0.284 4.603 4.320 -0.000 0.000 0.271 115 A C 0.449 177.986 177.584 -0.078 0.000 1.091 115 A CA -0.240 51.766 52.037 -0.052 0.000 0.812 115 A CB 0.687 19.655 19.000 -0.053 0.000 1.056 115 A HN 0.917 nan 8.150 nan 0.000 0.489 116 K N 0.054 120.407 120.400 -0.077 0.000 2.097 116 K HA -0.051 4.268 4.320 -0.000 0.000 0.205 116 K C 0.400 176.924 176.600 -0.128 0.000 1.050 116 K CA 1.451 57.687 56.287 -0.086 0.000 0.938 116 K CB -0.043 32.416 32.500 -0.068 0.000 0.718 116 K HN 0.641 nan 8.250 nan 0.000 0.442 117 K N -0.555 119.756 120.400 -0.148 0.000 2.433 117 K HA 0.346 4.666 4.320 -0.000 0.000 0.252 117 K C -2.846 173.593 176.600 -0.269 0.000 1.015 117 K CA -2.500 53.655 56.287 -0.219 0.000 0.860 117 K CB 1.763 34.170 32.500 -0.156 0.000 1.359 117 K HN -0.350 nan 8.250 nan 0.000 0.452 118 P HA -0.051 nan 4.420 nan 0.000 0.264 118 P C -1.038 176.224 177.300 -0.063 0.000 1.193 118 P CA -0.131 62.737 63.100 -0.386 0.000 0.763 118 P CB 0.484 31.907 31.700 -0.462 0.000 0.810 119 V N 1.739 121.681 119.914 0.046 0.000 3.160 119 V HA 0.841 4.961 4.120 -0.000 0.000 0.310 119 V C -1.422 174.833 176.094 0.269 0.000 1.181 119 V CA -1.153 61.221 62.300 0.123 0.000 1.047 119 V CB 2.049 33.889 31.823 0.029 0.000 1.068 119 V HN 0.524 nan 8.190 nan 0.000 0.441 120 Y N -0.445 119.904 120.300 0.082 0.000 2.524 120 Y HA 0.853 5.402 4.550 -0.000 0.000 0.347 120 Y C -1.089 174.858 175.900 0.079 0.000 1.005 120 Y CA -1.687 56.469 58.100 0.094 0.000 1.025 120 Y CB 1.636 40.167 38.460 0.117 0.000 1.275 120 Y HN 0.678 nan 8.280 nan 0.000 0.460 121 I N 4.034 124.686 120.570 0.137 0.000 2.331 121 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 121 I C -1.155 175.003 176.117 0.068 0.000 0.998 121 I CA -0.754 60.554 61.300 0.014 0.000 1.267 121 I CB 0.945 38.947 38.000 0.003 0.000 1.386 121 I HN 0.723 nan 8.210 nan 0.000 0.476 122 Y N 7.901 128.104 120.300 -0.162 0.000 2.331 122 Y HA 0.676 5.226 4.550 -0.000 0.000 0.338 122 Y C -0.866 174.969 175.900 -0.109 0.000 0.992 122 Y CA -0.673 57.348 58.100 -0.131 0.000 1.121 122 Y CB 1.004 39.323 38.460 -0.236 0.000 1.184 122 Y HN 0.363 nan 8.280 nan 0.000 0.469 123 I N 5.901 126.208 120.570 -0.439 0.000 2.499 123 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 123 I C -1.129 174.743 176.117 -0.408 0.000 1.048 123 I CA -0.620 60.522 61.300 -0.263 0.000 1.062 123 I CB 2.124 40.049 38.000 -0.127 0.000 1.238 123 I HN 0.623 nan 8.210 nan 0.000 0.426 124 E N 6.549 126.634 120.200 -0.191 0.000 2.460 124 E HA 0.238 4.588 4.350 -0.000 0.000 0.249 124 E C -0.732 175.871 176.600 0.005 0.000 0.962 124 E CA -0.317 56.006 56.400 -0.128 0.000 0.787 124 E CB 0.615 30.274 29.700 -0.069 0.000 1.341 124 E HN 0.656 nan 8.360 nan 0.000 0.407 125 D N 2.493 122.902 120.400 0.016 0.000 3.927 125 D HA -0.273 4.367 4.640 -0.000 0.000 0.142 125 D C 0.409 176.739 176.300 0.050 0.000 0.830 125 D CA 1.886 55.877 54.000 -0.014 0.000 1.091 125 D CB -0.525 40.254 40.800 -0.034 0.000 0.495 125 D HN 0.621 nan 8.370 nan 0.000 0.489 126 D N 0.601 121.014 120.400 0.022 0.000 2.317 126 D HA -0.022 4.618 4.640 -0.000 0.000 0.211 126 D C 0.725 177.080 176.300 0.092 0.000 0.966 126 D CA 0.317 54.358 54.000 0.068 0.000 0.876 126 D CB -0.447 40.363 40.800 0.016 0.000 0.927 126 D HN 0.177 nan 8.370 nan 0.000 0.519 127 N N 0.984 119.735 118.700 0.086 0.000 2.415 127 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 127 N C -1.322 174.263 175.510 0.125 0.000 1.127 127 N CA -0.010 53.099 53.050 0.099 0.000 0.945 127 N CB 0.424 38.983 38.487 0.119 0.000 1.196 127 N HN -0.308 nan 8.380 nan 0.000 0.499 128 V N 2.246 122.212 119.914 0.085 0.000 2.540 128 V HA 0.683 4.802 4.120 -0.000 0.000 0.302 128 V C -0.353 175.764 176.094 0.037 0.000 1.035 128 V CA -0.732 61.604 62.300 0.060 0.000 0.873 128 V CB 1.516 33.331 31.823 -0.014 0.000 0.992 128 V HN 0.789 nan 8.190 nan 0.000 0.428 129 S N 3.948 119.671 115.700 0.038 0.000 2.570 129 S HA 0.754 5.223 4.470 -0.000 0.000 0.270 129 S C -1.144 173.404 174.600 -0.088 0.000 1.149 129 S CA -0.835 57.343 58.200 -0.038 0.000 0.837 129 S CB 1.727 64.878 63.200 -0.082 0.000 1.124 129 S HN 0.464 nan 8.310 nan 0.000 0.465 130 I N 2.031 122.536 120.570 -0.108 0.000 2.312 130 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 130 I C -0.785 175.220 176.117 -0.186 0.000 1.008 130 I CA -0.541 60.681 61.300 -0.129 0.000 1.226 130 I CB 0.854 38.809 38.000 -0.074 0.000 1.371 130 I HN 0.454 nan 8.210 nan 0.000 0.468 131 L N 4.387 125.417 121.223 -0.321 0.000 2.319 131 L HA 0.463 4.803 4.340 -0.000 0.000 0.267 131 L C 0.404 177.192 176.870 -0.137 0.000 1.011 131 L CA -0.809 53.839 54.840 -0.319 0.000 0.818 131 L CB 1.897 43.580 42.059 -0.626 0.000 1.316 131 L HN 0.486 nan 8.230 nan 0.000 0.432 132 S N 0.690 116.380 115.700 -0.017 0.000 2.533 132 S HA 0.382 4.852 4.470 -0.000 0.000 0.282 132 S C 0.469 175.207 174.600 0.229 0.000 1.304 132 S CA 0.046 58.289 58.200 0.070 0.000 1.063 132 S CB 0.824 64.048 63.200 0.041 0.000 0.881 132 S HN 0.709 nan 8.310 nan 0.000 0.493 133 A N 4.226 127.182 122.820 0.228 0.000 2.606 133 A HA 0.358 4.678 4.320 -0.000 0.000 0.290 133 A C 1.184 178.879 177.584 0.185 0.000 1.174 133 A CA -0.354 51.850 52.037 0.278 0.000 0.958 133 A CB -0.119 19.094 19.000 0.355 0.000 1.194 133 A HN 0.916 nan 8.150 nan 0.000 0.526 134 E N 0.088 120.352 120.200 0.107 0.000 2.118 134 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 134 E C 1.938 178.607 176.600 0.115 0.000 0.992 134 E CA 1.300 57.741 56.400 0.068 0.000 0.804 134 E CB -0.078 29.633 29.700 0.018 0.000 0.741 134 E HN 0.608 nan 8.360 nan 0.000 0.458 135 G N 0.520 109.382 108.800 0.103 0.000 2.484 135 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 135 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 135 G C 1.478 176.441 174.900 0.104 0.000 1.130 135 G CA 0.127 45.281 45.100 0.090 0.000 0.784 135 G HN 0.078 nan 8.290 nan 0.000 0.543 136 L N -1.044 120.257 121.223 0.131 0.000 2.270 136 L HA 0.205 4.545 4.340 -0.000 0.000 0.210 136 L C 1.470 178.449 176.870 0.182 0.000 1.104 136 L CA -0.472 54.437 54.840 0.116 0.000 0.804 136 L CB -0.086 42.021 42.059 0.079 0.000 0.937 136 L HN 0.250 nan 8.230 nan 0.000 0.450 137 W N 1.634 122.946 121.300 0.020 0.000 2.343 137 W HA 0.041 4.700 4.660 -0.000 0.000 0.337 137 W C 1.115 177.650 176.519 0.026 0.000 1.320 137 W CA 1.537 58.896 57.345 0.024 0.000 1.290 137 W CB 0.506 29.983 29.460 0.028 0.000 1.206 137 W HN 0.376 nan 8.180 nan 0.000 0.565 138 G N 3.370 112.030 108.800 -0.233 0.000 2.234 138 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.235 138 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.235 138 G C 0.289 175.144 174.900 -0.075 0.000 0.997 138 G CA 0.073 45.093 45.100 -0.132 0.000 0.623 138 G HN 0.465 nan 8.290 nan 0.000 0.514 139 K N 1.825 122.186 120.400 -0.064 0.000 2.202 139 K HA 0.509 4.829 4.320 -0.000 0.000 0.264 139 K C 1.270 177.816 176.600 -0.090 0.000 1.010 139 K CA 0.239 56.499 56.287 -0.044 0.000 0.940 139 K CB 0.679 33.170 32.500 -0.014 0.000 0.983 139 K HN 0.385 nan 8.250 nan 0.000 0.475 140 T N -1.795 112.709 114.554 -0.083 0.000 2.734 140 T HA -0.065 4.285 4.350 -0.000 0.000 0.314 140 T C 1.632 176.262 174.700 -0.118 0.000 1.057 140 T CA 0.052 62.060 62.100 -0.153 0.000 1.047 140 T CB 0.705 69.446 68.868 -0.212 0.000 0.991 140 T HN 0.758 nan 8.240 nan 0.000 0.540 141 T N -0.524 113.931 114.554 -0.165 0.000 2.708 141 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 141 T C 1.653 176.448 174.700 0.157 0.000 1.037 141 T CA 0.996 63.082 62.100 -0.023 0.000 1.146 141 T CB -0.705 68.159 68.868 -0.007 0.000 0.865 141 T HN 0.495 nan 8.240 nan 0.000 0.435 142 F N 2.314 122.253 119.950 -0.018 0.000 2.095 142 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 142 F C 2.699 178.490 175.800 -0.015 0.000 1.104 142 F CA 0.975 58.968 58.000 -0.011 0.000 1.232 142 F CB -1.505 37.491 39.000 -0.007 0.000 0.987 142 F HN 0.242 nan 8.300 nan 0.000 0.475 143 E N 0.206 120.514 120.200 0.180 0.000 2.106 143 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 143 E C 2.093 178.719 176.600 0.043 0.000 0.984 143 E CA 1.874 58.325 56.400 0.086 0.000 0.806 143 E CB -0.510 29.219 29.700 0.048 0.000 0.750 143 E HN 0.258 nan 8.360 nan 0.000 0.458 144 T N 0.301 114.872 114.554 0.029 0.000 2.708 144 T HA -0.185 4.164 4.350 -0.000 0.000 0.266 144 T C 1.739 176.433 174.700 -0.011 0.000 1.037 144 T CA 1.593 63.689 62.100 -0.007 0.000 1.146 144 T CB -0.321 68.536 68.868 -0.017 0.000 0.865 144 T HN 0.370 nan 8.240 nan 0.000 0.435 145 E N 0.780 120.997 120.200 0.028 0.000 2.106 145 E HA -0.126 4.223 4.350 -0.000 0.000 0.192 145 E C 2.414 179.022 176.600 0.013 0.000 0.984 145 E CA 0.705 57.118 56.400 0.022 0.000 0.806 145 E CB -0.027 29.702 29.700 0.049 0.000 0.750 145 E HN 0.305 nan 8.360 nan 0.000 0.458 146 R N 0.520 121.035 120.500 0.024 0.000 2.073 146 R HA -0.171 4.168 4.340 -0.000 0.000 0.234 146 R C 2.023 178.319 176.300 -0.007 0.000 1.134 146 R CA 1.894 58.001 56.100 0.012 0.000 0.952 146 R CB -0.064 30.252 30.300 0.026 0.000 0.850 146 R HN 0.264 nan 8.270 nan 0.000 0.433 147 E N 0.303 120.493 120.200 -0.016 0.000 2.072 147 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 147 E C 2.131 178.686 176.600 -0.075 0.000 0.985 147 E CA 1.135 57.511 56.400 -0.041 0.000 0.801 147 E CB -0.057 29.619 29.700 -0.041 0.000 0.750 147 E HN 0.353 nan 8.360 nan 0.000 0.452 148 L N 0.896 122.070 121.223 -0.081 0.000 2.083 148 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 148 L C 2.309 179.161 176.870 -0.030 0.000 1.083 148 L CA 1.216 56.002 54.840 -0.091 0.000 0.752 148 L CB -0.197 41.817 42.059 -0.075 0.000 0.899 148 L HN 0.020 nan 8.230 nan 0.000 0.433 149 K N -0.594 119.805 120.400 -0.002 0.000 2.217 149 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 149 K C 1.888 178.486 176.600 -0.004 0.000 1.051 149 K CA 0.563 56.863 56.287 0.022 0.000 0.952 149 K CB 0.068 32.580 32.500 0.020 0.000 0.736 149 K HN 0.162 nan 8.250 nan 0.000 0.453 150 E N 0.635 120.817 120.200 -0.031 0.000 2.338 150 E HA -0.104 4.245 4.350 -0.000 0.000 0.197 150 E C 1.755 178.318 176.600 -0.061 0.000 1.007 150 E CA 0.739 57.119 56.400 -0.034 0.000 0.849 150 E CB 0.166 29.848 29.700 -0.031 0.000 0.774 150 E HN 0.249 nan 8.360 nan 0.000 0.506 151 I N 0.064 120.555 120.570 -0.132 0.000 2.522 151 I HA -0.117 4.053 4.170 -0.000 0.000 0.240 151 I C 1.993 178.012 176.117 -0.164 0.000 1.078 151 I CA 0.952 62.116 61.300 -0.226 0.000 1.422 151 I CB -1.277 36.434 38.000 -0.482 0.000 1.188 151 I HN 0.117 nan 8.210 nan 0.000 0.442 152 H N 1.211 120.332 119.070 0.085 0.000 2.548 152 H HA 0.351 4.907 4.556 -0.000 0.000 0.268 152 H C 1.054 176.424 175.328 0.070 0.000 0.975 152 H CA 0.843 56.960 56.048 0.115 0.000 1.195 152 H CB -0.032 29.849 29.762 0.199 0.000 1.397 152 H HN 0.417 nan 8.280 nan 0.000 0.572 153 G N 0.518 109.394 108.800 0.127 0.000 2.570 153 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.686 153 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.686 153 G C 0.284 175.219 174.900 0.059 0.000 1.257 153 G CA -0.298 44.849 45.100 0.079 0.000 0.846 153 G HN 0.183 nan 8.290 nan 0.000 0.627 154 K N -0.162 120.261 120.400 0.039 0.000 2.296 154 K HA 0.038 4.358 4.320 -0.000 0.000 0.200 154 K C 1.053 177.672 176.600 0.031 0.000 1.048 154 K CA 0.718 57.023 56.287 0.030 0.000 0.966 154 K CB 0.000 32.515 32.500 0.024 0.000 0.754 154 K HN 0.374 nan 8.250 nan 0.000 0.466 155 N N 1.768 120.486 118.700 0.031 0.000 3.259 155 N HA 0.024 4.764 4.740 -0.000 0.000 0.308 155 N C -0.672 174.778 175.510 -0.099 0.000 1.334 155 N CA 0.205 53.279 53.050 0.040 0.000 1.202 155 N CB 0.385 38.913 38.487 0.069 0.000 1.485 155 N HN -0.015 nan 8.380 nan 0.000 0.549 156 V N -3.596 116.238 119.914 -0.133 0.000 3.159 156 V HA 0.899 5.019 4.120 -0.000 0.000 0.308 156 V C 0.238 176.257 176.094 -0.124 0.000 1.190 156 V CA -1.171 60.912 62.300 -0.362 0.000 1.037 156 V CB 1.623 33.323 31.823 -0.205 0.000 1.060 156 V HN 0.134 nan 8.190 nan 0.000 0.437 157 G N 0.564 109.312 108.800 -0.088 0.000 2.372 157 G HA2 0.649 4.609 3.960 -0.000 0.000 0.323 157 G HA3 0.649 4.609 3.960 -0.000 0.000 0.323 157 G C -1.110 173.797 174.900 0.012 0.000 1.152 157 G CA -0.709 44.448 45.100 0.096 0.000 0.906 157 G HN 1.109 nan 8.290 nan 0.000 0.460 158 V N 2.852 122.782 119.914 0.027 0.000 2.588 158 V HA 0.526 4.645 4.120 -0.000 0.000 0.304 158 V C -0.239 175.868 176.094 0.021 0.000 1.042 158 V CA -0.674 61.634 62.300 0.012 0.000 0.877 158 V CB 1.682 33.517 31.823 0.020 0.000 0.996 158 V HN 0.627 nan 8.190 nan 0.000 0.425 159 L N 4.546 125.768 121.223 -0.002 0.000 2.341 159 L HA 0.871 5.211 4.340 -0.000 0.000 0.278 159 L C 0.098 176.991 176.870 0.039 0.000 1.005 159 L CA -0.204 54.647 54.840 0.019 0.000 0.818 159 L CB 2.302 44.328 42.059 -0.056 0.000 1.259 159 L HN 0.896 nan 8.230 nan 0.000 0.418 160 T N 0.320 114.914 114.554 0.067 0.000 2.841 160 T HA 0.794 5.144 4.350 -0.000 0.000 0.296 160 T C -0.625 174.104 174.700 0.049 0.000 1.166 160 T CA -0.772 61.361 62.100 0.055 0.000 1.007 160 T CB 2.043 70.931 68.868 0.034 0.000 1.253 160 T HN 0.500 nan 8.240 nan 0.000 0.511 161 I N -1.405 119.170 120.570 0.008 0.000 2.740 161 I HA 0.930 5.100 4.170 -0.000 0.000 0.303 161 I C 0.258 176.296 176.117 -0.133 0.000 1.044 161 I CA -1.224 60.049 61.300 -0.046 0.000 1.064 161 I CB 1.863 39.834 38.000 -0.049 0.000 1.249 161 I HN 0.927 nan 8.210 nan 0.000 0.433 162 G N 2.409 111.101 108.800 -0.180 0.000 2.938 162 G HA2 0.561 4.521 3.960 -0.000 0.000 0.258 162 G HA3 0.561 4.521 3.960 -0.000 0.000 0.258 162 G C -2.327 172.371 174.900 -0.336 0.000 1.356 162 G CA -1.539 43.413 45.100 -0.246 0.000 1.052 162 G HN 0.452 nan 8.290 nan 0.000 0.550 163 P HA -0.120 nan 4.420 nan 0.000 0.216 163 P C 2.079 179.140 177.300 -0.398 0.000 1.150 163 P CA 2.329 65.169 63.100 -0.433 0.000 0.843 163 P CB 0.126 31.479 31.700 -0.578 0.000 0.787 164 A N -0.389 122.207 122.820 -0.373 0.000 1.940 164 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 164 A C 2.467 179.910 177.584 -0.234 0.000 1.176 164 A CA 2.131 53.988 52.037 -0.299 0.000 0.631 164 A CB -1.819 17.024 19.000 -0.261 0.000 0.814 164 A HN 0.297 nan 8.150 nan 0.000 0.446 165 G N -0.484 108.188 108.800 -0.214 0.000 2.394 165 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 165 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 165 G C 1.387 176.197 174.900 -0.150 0.000 1.165 165 G CA 0.873 45.882 45.100 -0.152 0.000 0.784 165 G HN 0.651 nan 8.290 nan 0.000 0.535 166 E N 0.838 120.866 120.200 -0.286 0.000 2.110 166 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 166 E C 1.653 178.227 176.600 -0.043 0.000 0.988 166 E CA 0.844 57.066 56.400 -0.297 0.000 0.804 166 E CB -0.026 29.154 29.700 -0.866 0.000 0.745 166 E HN 0.278 nan 8.360 nan 0.000 0.458 167 N N 0.462 119.097 118.700 -0.109 0.000 2.383 167 N HA 0.071 4.810 4.740 -0.000 0.000 0.192 167 N C 0.048 175.521 175.510 -0.062 0.000 1.141 167 N CA 0.273 53.291 53.050 -0.054 0.000 0.851 167 N CB 0.401 38.840 38.487 -0.081 0.000 0.976 167 N HN 0.126 nan 8.380 nan 0.000 0.465 168 L N -0.646 120.534 121.223 -0.071 0.000 3.717 168 L HA -0.193 4.147 4.340 -0.000 0.000 0.411 168 L C -0.472 176.318 176.870 -0.134 0.000 1.233 168 L CA -0.115 54.680 54.840 -0.075 0.000 0.917 168 L CB -2.334 39.706 42.059 -0.033 0.000 1.902 168 L HN -0.142 nan 8.230 nan 0.000 0.894 169 V N 1.383 121.172 119.914 -0.208 0.000 2.557 169 V HA -0.056 4.064 4.120 -0.000 0.000 0.301 169 V C 1.935 177.817 176.094 -0.354 0.000 1.026 169 V CA 0.204 62.293 62.300 -0.352 0.000 1.137 169 V CB 1.133 32.677 31.823 -0.466 0.000 0.917 169 V HN 0.300 nan 8.190 nan 0.000 0.484 170 K N 4.443 124.641 120.400 -0.337 0.000 2.281 170 K HA -0.155 4.164 4.320 -0.000 0.000 0.203 170 K C 0.972 177.542 176.600 -0.051 0.000 1.046 170 K CA 1.541 57.740 56.287 -0.147 0.000 0.938 170 K CB -0.240 32.240 32.500 -0.032 0.000 0.737 170 K HN 0.968 nan 8.250 nan 0.000 0.458 171 Y N -1.411 118.880 120.300 -0.014 0.000 2.751 171 Y HA 0.602 5.151 4.550 -0.000 0.000 0.289 171 Y C 0.283 176.177 175.900 -0.010 0.000 1.110 171 Y CA -1.249 56.850 58.100 -0.003 0.000 1.251 171 Y CB -0.416 38.045 38.460 0.003 0.000 1.178 171 Y HN -0.166 nan 8.280 nan 0.000 0.540 172 A N 1.440 124.214 122.820 -0.077 0.000 2.445 172 A HA 0.574 4.894 4.320 -0.000 0.000 0.242 172 A C 0.371 177.966 177.584 0.017 0.000 1.075 172 A CA 0.184 52.185 52.037 -0.060 0.000 0.777 172 A CB 0.173 19.105 19.000 -0.113 0.000 1.013 172 A HN 0.710 nan 8.150 nan 0.000 0.493 173 V N -0.298 119.633 119.914 0.028 0.000 3.155 173 V HA 0.821 4.941 4.120 -0.000 0.000 0.313 173 V C -0.222 175.906 176.094 0.057 0.000 1.162 173 V CA -0.866 61.469 62.300 0.057 0.000 1.048 173 V CB 1.396 33.270 31.823 0.085 0.000 1.092 173 V HN 0.665 nan 8.190 nan 0.000 0.447 174 V N 2.561 122.530 119.914 0.092 0.000 2.472 174 V HA 0.530 4.650 4.120 -0.000 0.000 0.290 174 V C -0.224 175.942 176.094 0.119 0.000 1.037 174 V CA -0.356 62.018 62.300 0.123 0.000 0.908 174 V CB 1.237 33.180 31.823 0.201 0.000 0.985 174 V HN 0.649 nan 8.190 nan 0.000 0.454 175 I N 3.315 123.950 120.570 0.108 0.000 2.603 175 I HA 0.582 4.752 4.170 -0.000 0.000 0.300 175 I C -0.043 176.146 176.117 0.120 0.000 1.017 175 I CA -0.067 61.305 61.300 0.119 0.000 1.098 175 I CB 1.972 40.046 38.000 0.123 0.000 1.279 175 I HN 0.659 nan 8.210 nan 0.000 0.437 176 S N 3.800 119.572 115.700 0.120 0.000 2.540 176 S HA 0.389 4.858 4.470 -0.000 0.000 0.275 176 S C -0.758 173.889 174.600 0.078 0.000 1.123 176 S CA -0.282 57.976 58.200 0.097 0.000 0.907 176 S CB 1.108 64.364 63.200 0.094 0.000 1.081 176 S HN 0.649 nan 8.310 nan 0.000 0.476 177 Q N 2.322 122.151 119.800 0.049 0.000 2.453 177 Q HA -0.171 4.169 4.340 -0.000 0.000 0.294 177 Q C -0.532 175.425 176.000 -0.071 0.000 1.295 177 Q CA 1.111 56.911 55.803 -0.005 0.000 0.853 177 Q CB -1.754 26.988 28.738 0.006 0.000 1.193 177 Q HN 0.881 nan 8.270 nan 0.000 0.461 178 E N -2.752 117.392 120.200 -0.093 0.000 2.269 178 E HA -0.319 4.031 4.350 -0.000 0.000 0.223 178 E C 0.815 177.329 176.600 -0.143 0.000 1.244 178 E CA 0.573 56.745 56.400 -0.380 0.000 0.713 178 E CB -1.503 27.636 29.700 -0.935 0.000 1.178 178 E HN 0.872 nan 8.360 nan 0.000 0.370 179 G N -0.340 108.505 108.800 0.075 0.000 3.751 179 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 179 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 179 G C -0.132 174.822 174.900 0.091 0.000 0.911 179 G CA -0.785 44.364 45.100 0.081 0.000 0.869 179 G HN 0.019 nan 8.290 nan 0.000 0.462 180 R N 1.410 121.963 120.500 0.088 0.000 2.308 180 R HA 0.822 5.162 4.340 -0.000 0.000 0.305 180 R C 0.002 176.372 176.300 0.117 0.000 1.053 180 R CA 0.205 56.364 56.100 0.098 0.000 0.957 180 R CB 0.890 31.246 30.300 0.093 0.000 1.022 180 R HN 0.611 nan 8.270 nan 0.000 0.461 181 A N 1.043 123.935 122.820 0.121 0.000 2.454 181 A HA 0.882 5.202 4.320 -0.000 0.000 0.302 181 A C -1.224 176.440 177.584 0.134 0.000 1.079 181 A CA -0.446 51.666 52.037 0.125 0.000 0.731 181 A CB 1.995 21.065 19.000 0.117 0.000 1.299 181 A HN 0.729 nan 8.150 nan 0.000 0.413 182 A N -0.207 122.693 122.820 0.133 0.000 2.520 182 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 182 A C 0.316 177.968 177.584 0.114 0.000 1.051 182 A CA 0.060 52.178 52.037 0.135 0.000 0.690 182 A CB 1.012 20.097 19.000 0.143 0.000 1.281 182 A HN 2.782 nan 8.150 nan 0.000 0.402 183 G N 1.393 110.261 108.800 0.113 0.000 2.356 183 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.233 183 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.233 183 G C 0.597 175.557 174.900 0.100 0.000 1.105 183 G CA 0.320 45.470 45.100 0.083 0.000 0.861 183 G HN 0.945 nan 8.290 nan 0.000 0.493 184 R N -0.255 120.329 120.500 0.140 0.000 2.119 184 R HA -0.152 4.188 4.340 -0.000 0.000 0.246 184 R C -0.876 175.511 176.300 0.144 0.000 1.146 184 R CA 1.824 58.008 56.100 0.140 0.000 0.962 184 R CB -0.688 29.687 30.300 0.125 0.000 0.863 184 R HN 0.422 nan 8.270 nan 0.000 0.442 185 P HA 0.084 nan 4.420 nan 0.000 0.269 185 P C -0.035 177.307 177.300 0.070 0.000 1.461 185 P CA 0.869 64.039 63.100 0.117 0.000 0.809 185 P CB 0.159 31.924 31.700 0.108 0.000 1.503 186 G N -0.996 107.846 108.800 0.070 0.000 2.140 186 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.211 186 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.211 186 G C 0.878 175.773 174.900 -0.009 0.000 1.013 186 G CA -0.018 45.098 45.100 0.025 0.000 0.705 186 G HN 0.062 nan 8.290 nan 0.000 0.508 187 M N 0.363 119.957 119.600 -0.011 0.000 2.213 187 M HA 0.012 4.492 4.480 -0.000 0.000 0.263 187 M C 2.582 178.875 176.300 -0.013 0.000 1.062 187 M CA 1.962 57.237 55.300 -0.042 0.000 1.105 187 M CB -1.552 31.015 32.600 -0.054 0.000 1.385 187 M HN 0.448 nan 8.290 nan 0.000 0.417 188 G N -0.135 108.670 108.800 0.009 0.000 2.408 188 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.217 188 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.217 188 G C 1.668 176.564 174.900 -0.007 0.000 1.150 188 G CA 1.015 46.122 45.100 0.012 0.000 0.776 188 G HN 0.547 nan 8.290 nan 0.000 0.542 189 A N 0.068 122.873 122.820 -0.026 0.000 1.968 189 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 189 A C 2.548 180.129 177.584 -0.005 0.000 1.169 189 A CA 1.486 53.505 52.037 -0.030 0.000 0.638 189 A CB -0.348 18.619 19.000 -0.055 0.000 0.812 189 A HN 0.219 nan 8.150 nan 0.000 0.446 190 V N -0.299 119.607 119.914 -0.013 0.000 2.307 190 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 190 V C 2.559 178.667 176.094 0.024 0.000 1.045 190 V CA 2.255 64.548 62.300 -0.013 0.000 1.024 190 V CB -0.706 31.087 31.823 -0.050 0.000 0.651 190 V HN 0.706 nan 8.190 nan 0.000 0.449 191 M N 0.696 120.322 119.600 0.043 0.000 2.080 191 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 191 M C 2.047 178.431 176.300 0.139 0.000 1.068 191 M CA 2.415 57.779 55.300 0.106 0.000 1.109 191 M CB -0.659 32.027 32.600 0.143 0.000 1.342 191 M HN 0.386 nan 8.290 nan 0.000 0.405 192 G N -0.842 108.029 108.800 0.118 0.000 2.432 192 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 192 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 192 G C 1.479 176.507 174.900 0.214 0.000 1.135 192 G CA 1.092 46.306 45.100 0.190 0.000 0.767 192 G HN 0.637 nan 8.290 nan 0.000 0.550 193 S N 0.046 115.813 115.700 0.111 0.000 2.474 193 S HA 0.055 4.525 4.470 -0.000 0.000 0.235 193 S C 1.843 176.482 174.600 0.064 0.000 0.997 193 S CA 1.044 59.290 58.200 0.076 0.000 0.949 193 S CB -0.073 63.146 63.200 0.031 0.000 0.766 193 S HN 0.425 nan 8.310 nan 0.000 0.517 194 K N 0.466 120.914 120.400 0.080 0.000 2.374 194 K HA 0.212 4.531 4.320 -0.000 0.000 0.196 194 K C -0.234 176.396 176.600 0.050 0.000 1.023 194 K CA -0.185 56.134 56.287 0.054 0.000 1.103 194 K CB 0.225 32.761 32.500 0.060 0.000 0.848 194 K HN 0.028 nan 8.250 nan 0.000 0.528 195 K N 0.540 120.997 120.400 0.095 0.000 3.192 195 K HA -0.176 4.144 4.320 -0.000 0.000 0.278 195 K C -0.610 176.059 176.600 0.115 0.000 1.164 195 K CA 0.340 56.626 56.287 -0.002 0.000 0.816 195 K CB -1.958 30.408 32.500 -0.222 0.000 1.256 195 K HN 0.155 nan 8.250 nan 0.000 0.497 196 L N 0.923 122.292 121.223 0.244 0.000 2.259 196 L HA 0.274 4.613 4.340 -0.000 0.000 0.288 196 L C 1.260 178.336 176.870 0.343 0.000 1.051 196 L CA 0.033 55.023 54.840 0.249 0.000 0.824 196 L CB 1.305 43.482 42.059 0.197 0.000 1.206 196 L HN 0.025 nan 8.230 nan 0.000 0.429 197 K N 4.093 124.728 120.400 0.391 0.000 2.186 197 K HA 0.514 4.834 4.320 -0.000 0.000 0.202 197 K C -0.043 176.667 176.600 0.184 0.000 1.052 197 K CA 1.033 57.523 56.287 0.338 0.000 0.965 197 K CB 0.358 33.115 32.500 0.427 0.000 0.746 197 K HN 0.693 nan 8.250 nan 0.000 0.457 198 A N -1.092 121.849 122.820 0.201 0.000 2.586 198 A HA 0.604 4.924 4.320 -0.000 0.000 0.290 198 A C -1.732 175.945 177.584 0.155 0.000 1.086 198 A CA -0.707 51.408 52.037 0.130 0.000 0.665 198 A CB 1.467 20.492 19.000 0.042 0.000 1.279 198 A HN -0.134 nan 8.150 nan 0.000 0.423 199 V N 0.641 120.587 119.914 0.053 0.000 2.525 199 V HA 0.553 4.672 4.120 -0.000 0.000 0.299 199 V C -0.768 175.325 176.094 -0.002 0.000 1.034 199 V CA -0.562 61.733 62.300 -0.009 0.000 0.863 199 V CB 1.509 33.174 31.823 -0.264 0.000 0.999 199 V HN 0.775 nan 8.190 nan 0.000 0.423 200 V N 6.511 126.456 119.914 0.053 0.000 2.384 200 V HA 0.586 4.705 4.120 -0.000 0.000 0.287 200 V C -0.272 175.699 176.094 -0.204 0.000 1.020 200 V CA -0.310 61.975 62.300 -0.024 0.000 0.850 200 V CB 1.597 33.487 31.823 0.111 0.000 0.987 200 V HN 0.710 nan 8.190 nan 0.000 0.436 201 I N 4.869 125.315 120.570 -0.208 0.000 2.545 201 I HA 0.685 4.855 4.170 -0.000 0.000 0.292 201 I C -0.352 175.563 176.117 -0.336 0.000 1.040 201 I CA -0.790 60.378 61.300 -0.220 0.000 1.068 201 I CB 2.332 40.303 38.000 -0.049 0.000 1.251 201 I HN 0.543 nan 8.210 nan 0.000 0.424 202 R N 3.272 123.592 120.500 -0.301 0.000 2.564 202 R HA 0.740 5.079 4.340 -0.000 0.000 0.284 202 R C -1.199 175.112 176.300 0.018 0.000 1.031 202 R CA -0.458 55.451 56.100 -0.318 0.000 0.904 202 R CB 2.242 32.355 30.300 -0.313 0.000 1.199 202 R HN 0.898 nan 8.270 nan 0.000 0.443 203 G N 0.293 109.277 108.800 0.307 0.000 2.591 203 G HA2 0.400 4.360 3.960 -0.000 0.000 0.306 203 G HA3 0.400 4.360 3.960 -0.000 0.000 0.306 203 G C 0.151 175.161 174.900 0.183 0.000 1.334 203 G CA -0.304 44.918 45.100 0.202 0.000 0.981 203 G HN 0.612 nan 8.290 nan 0.000 0.491 204 T N -1.960 112.656 114.554 0.103 0.000 3.041 204 T HA 0.295 4.645 4.350 -0.000 0.000 0.276 204 T C 0.624 175.377 174.700 0.089 0.000 0.948 204 T CA -0.139 62.018 62.100 0.094 0.000 0.885 204 T CB 0.079 68.990 68.868 0.071 0.000 1.175 204 T HN 0.391 nan 8.240 nan 0.000 0.529 205 K N 1.836 122.291 120.400 0.092 0.000 2.219 205 K HA 0.346 4.666 4.320 -0.000 0.000 0.258 205 K C -0.269 176.454 176.600 0.206 0.000 1.008 205 K CA -0.473 55.897 56.287 0.138 0.000 0.928 205 K CB 0.443 33.014 32.500 0.118 0.000 0.983 205 K HN 0.124 nan 8.250 nan 0.000 0.484 206 E N 1.965 122.287 120.200 0.204 0.000 2.167 206 E HA 0.172 4.521 4.350 -0.000 0.000 0.284 206 E C -0.137 176.555 176.600 0.154 0.000 1.016 206 E CA -0.303 56.184 56.400 0.144 0.000 0.817 206 E CB 0.651 30.401 29.700 0.084 0.000 1.080 206 E HN 0.366 nan 8.360 nan 0.000 0.397 207 I N 5.258 125.852 120.570 0.041 0.000 2.471 207 I HA 0.069 4.239 4.170 -0.000 0.000 0.286 207 I C -1.891 174.046 176.117 -0.300 0.000 1.079 207 I CA -1.679 59.451 61.300 -0.282 0.000 1.398 207 I CB 0.394 38.255 38.000 -0.231 0.000 1.403 207 I HN 0.109 nan 8.210 nan 0.000 0.530 208 P HA 0.100 nan 4.420 nan 0.000 0.267 208 P C -0.947 176.307 177.300 -0.076 0.000 1.205 208 P CA 0.032 63.039 63.100 -0.155 0.000 0.765 208 P CB 0.613 32.199 31.700 -0.190 0.000 0.828 209 V N 2.963 122.872 119.914 -0.009 0.000 2.638 209 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 209 V C 1.079 176.986 176.094 -0.311 0.000 1.052 209 V CA -0.314 61.905 62.300 -0.135 0.000 0.885 209 V CB 1.586 33.303 31.823 -0.177 0.000 0.999 209 V HN 0.604 nan 8.190 nan 0.000 0.424 210 A N 2.908 125.398 122.820 -0.550 0.000 1.902 210 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 210 A C 0.981 178.264 177.584 -0.502 0.000 1.181 210 A CA 1.808 53.297 52.037 -0.914 0.000 0.623 210 A CB -0.068 18.531 19.000 -0.668 0.000 0.818 210 A HN 0.762 nan 8.150 nan 0.000 0.443 211 D N -1.748 118.454 120.400 -0.329 0.000 2.363 211 D HA 0.270 4.910 4.640 -0.000 0.000 0.258 211 D C 0.575 176.760 176.300 -0.191 0.000 1.259 211 D CA -0.306 53.554 54.000 -0.232 0.000 0.921 211 D CB 0.802 41.482 40.800 -0.200 0.000 1.201 211 D HN 0.198 nan 8.370 nan 0.000 0.524 212 K N 1.494 121.794 120.400 -0.167 0.000 2.057 212 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 212 K C 1.570 178.100 176.600 -0.117 0.000 1.049 212 K CA 1.210 57.414 56.287 -0.138 0.000 0.931 212 K CB 0.306 32.742 32.500 -0.108 0.000 0.714 212 K HN 0.356 nan 8.250 nan 0.000 0.440 213 E N 0.070 120.208 120.200 -0.103 0.000 2.106 213 E HA -0.229 4.120 4.350 -0.000 0.000 0.192 213 E C 1.732 178.279 176.600 -0.088 0.000 0.984 213 E CA 1.210 57.560 56.400 -0.083 0.000 0.806 213 E CB 0.094 29.753 29.700 -0.069 0.000 0.750 213 E HN 0.223 nan 8.360 nan 0.000 0.458 214 E N 0.386 120.522 120.200 -0.106 0.000 2.152 214 E HA -0.148 4.201 4.350 -0.000 0.000 0.192 214 E C 1.944 178.470 176.600 -0.123 0.000 0.983 214 E CA 0.535 56.871 56.400 -0.105 0.000 0.818 214 E CB -0.234 29.398 29.700 -0.114 0.000 0.758 214 E HN 0.284 nan 8.360 nan 0.000 0.467 215 L N 0.758 121.888 121.223 -0.154 0.000 2.017 215 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 215 L C 2.104 178.877 176.870 -0.161 0.000 1.073 215 L CA 1.913 56.637 54.840 -0.193 0.000 0.745 215 L CB -0.568 41.356 42.059 -0.224 0.000 0.894 215 L HN -0.017 nan 8.230 nan 0.000 0.432 216 K N 0.258 120.586 120.400 -0.119 0.000 2.057 216 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 216 K C 2.266 178.832 176.600 -0.056 0.000 1.049 216 K CA 1.814 58.053 56.287 -0.079 0.000 0.931 216 K CB -0.198 32.267 32.500 -0.059 0.000 0.714 216 K HN 0.465 nan 8.250 nan 0.000 0.440 217 K N 0.589 120.955 120.400 -0.056 0.000 2.026 217 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 217 K C 2.335 178.924 176.600 -0.019 0.000 1.048 217 K CA 1.098 57.366 56.287 -0.031 0.000 0.929 217 K CB -0.121 32.359 32.500 -0.034 0.000 0.713 217 K HN 0.044 nan 8.250 nan 0.000 0.439 218 L N 0.640 121.839 121.223 -0.040 0.000 2.046 218 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 218 L C 2.537 179.345 176.870 -0.103 0.000 1.077 218 L CA 1.240 56.082 54.840 0.003 0.000 0.747 218 L CB -0.354 41.688 42.059 -0.028 0.000 0.896 218 L HN 0.193 nan 8.230 nan 0.000 0.432 219 S N -0.859 114.729 115.700 -0.185 0.000 2.368 219 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 219 S C 1.965 176.451 174.600 -0.189 0.000 1.030 219 S CA 1.014 59.029 58.200 -0.308 0.000 0.999 219 S CB -0.165 62.898 63.200 -0.228 0.000 0.844 219 S HN 0.397 nan 8.310 nan 0.000 0.459 220 Q N 1.162 120.963 119.800 0.003 0.000 2.124 220 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 220 Q C 2.008 178.038 176.000 0.051 0.000 0.977 220 Q CA 1.200 57.066 55.803 0.106 0.000 0.850 220 Q CB -0.451 28.329 28.738 0.069 0.000 0.901 220 Q HN 0.658 nan 8.270 nan 0.000 0.429 221 E N 0.496 120.702 120.200 0.010 0.000 2.072 221 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 221 E C 1.929 178.484 176.600 -0.074 0.000 0.985 221 E CA 0.949 57.382 56.400 0.055 0.000 0.801 221 E CB -0.080 29.741 29.700 0.200 0.000 0.750 221 E HN 0.331 nan 8.360 nan 0.000 0.452 222 A N 0.654 123.205 122.820 -0.447 0.000 1.902 222 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 222 A C 1.846 179.229 177.584 -0.335 0.000 1.181 222 A CA 1.230 52.772 52.037 -0.825 0.000 0.623 222 A CB -0.735 17.565 19.000 -1.167 0.000 0.818 222 A HN 0.233 nan 8.150 nan 0.000 0.443 223 Y N 0.847 121.040 120.300 -0.178 0.000 2.181 223 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 223 Y C 2.472 178.326 175.900 -0.077 0.000 1.146 223 Y CA 1.411 59.458 58.100 -0.087 0.000 1.164 223 Y CB -0.466 37.962 38.460 -0.054 0.000 0.982 223 Y HN 0.327 nan 8.280 nan 0.000 0.515 224 N N 0.029 118.786 118.700 0.095 0.000 2.188 224 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 224 N C 1.899 177.417 175.510 0.014 0.000 1.018 224 N CA 1.265 54.335 53.050 0.033 0.000 0.858 224 N CB -0.403 38.105 38.487 0.035 0.000 0.989 224 N HN 0.515 nan 8.380 nan 0.000 0.426 225 E N 0.751 120.965 120.200 0.025 0.000 2.110 225 E HA -0.087 4.262 4.350 -0.000 0.000 0.193 225 E C 1.943 178.568 176.600 0.041 0.000 0.988 225 E CA 0.628 57.058 56.400 0.051 0.000 0.804 225 E CB 0.005 29.768 29.700 0.105 0.000 0.745 225 E HN 0.285 nan 8.360 nan 0.000 0.458 226 I N 0.703 121.292 120.570 0.031 0.000 2.142 226 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 226 I C 2.434 178.550 176.117 -0.002 0.000 1.078 226 I CA 0.926 62.271 61.300 0.076 0.000 1.343 226 I CB -0.216 37.864 38.000 0.134 0.000 1.046 226 I HN 0.209 nan 8.210 nan 0.000 0.405 227 L N 0.587 121.703 121.223 -0.179 0.000 2.079 227 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 227 L C 1.783 178.447 176.870 -0.344 0.000 1.081 227 L CA 1.310 55.822 54.840 -0.548 0.000 0.752 227 L CB -0.571 41.274 42.059 -0.358 0.000 0.896 227 L HN 0.377 nan 8.230 nan 0.000 0.433 228 N N -0.367 118.261 118.700 -0.119 0.000 2.398 228 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 228 N C 0.566 176.094 175.510 0.029 0.000 1.122 228 N CA 0.266 53.295 53.050 -0.035 0.000 0.866 228 N CB 0.040 38.522 38.487 -0.007 0.000 0.970 228 N HN 0.280 nan 8.380 nan 0.000 0.462 229 S N 1.154 116.891 115.700 0.062 0.000 2.576 229 S HA 0.193 4.663 4.470 -0.000 0.000 0.276 229 S C -1.240 173.442 174.600 0.136 0.000 1.339 229 S CA -0.958 57.304 58.200 0.104 0.000 1.039 229 S CB 1.549 64.820 63.200 0.118 0.000 0.902 229 S HN 0.008 nan 8.310 nan 0.000 0.516 230 P HA -0.012 nan 4.420 nan 0.000 0.218 230 P C 1.409 178.800 177.300 0.152 0.000 1.149 230 P CA 1.524 64.692 63.100 0.114 0.000 0.817 230 P CB -0.498 31.249 31.700 0.079 0.000 0.785 231 G N -1.614 107.280 108.800 0.157 0.000 2.712 231 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.212 231 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.212 231 G C 1.443 176.505 174.900 0.270 0.000 1.142 231 G CA -0.104 45.112 45.100 0.195 0.000 0.789 231 G HN 0.165 nan 8.290 nan 0.000 0.535 232 Y N 2.533 122.924 120.300 0.151 0.000 2.081 232 Y HA -0.157 4.392 4.550 -0.000 0.000 0.280 232 Y C 0.262 176.295 175.900 0.221 0.000 1.163 232 Y CA 2.273 60.483 58.100 0.184 0.000 1.135 232 Y CB -0.718 37.819 38.460 0.128 0.000 0.970 232 Y HN 0.228 nan 8.280 nan 0.000 0.498 233 P HA -0.232 nan 4.420 nan 0.000 0.214 233 P C 1.513 178.906 177.300 0.156 0.000 1.163 233 P CA 1.856 65.080 63.100 0.206 0.000 0.883 233 P CB -0.362 31.475 31.700 0.227 0.000 0.788 234 F N -0.990 118.991 119.950 0.052 0.000 2.186 234 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 234 F C 2.241 178.035 175.800 -0.011 0.000 1.090 234 F CA 0.929 58.938 58.000 0.015 0.000 1.307 234 F CB -0.883 38.143 39.000 0.043 0.000 1.019 234 F HN 0.000 nan 8.300 nan 0.000 0.489 235 W N 1.799 123.012 121.300 -0.146 0.000 2.335 235 W HA -0.281 4.379 4.660 -0.000 0.000 0.311 235 W C 2.290 178.599 176.519 -0.350 0.000 1.213 235 W CA 2.025 59.202 57.345 -0.280 0.000 1.274 235 W CB -0.531 28.801 29.460 -0.212 0.000 1.148 235 W HN 0.090 nan 8.180 nan 0.000 0.498 236 K N 0.652 120.839 120.400 -0.355 0.000 2.103 236 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 236 K C 2.270 178.641 176.600 -0.381 0.000 1.048 236 K CA 1.612 57.654 56.287 -0.409 0.000 0.930 236 K CB -0.203 32.095 32.500 -0.337 0.000 0.716 236 K HN 0.085 nan 8.250 nan 0.000 0.444 237 R N -0.173 120.118 120.500 -0.348 0.000 2.057 237 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 237 R C 2.261 178.273 176.300 -0.481 0.000 1.136 237 R CA 1.801 57.702 56.100 -0.332 0.000 0.952 237 R CB 0.005 30.171 30.300 -0.224 0.000 0.848 237 R HN 0.332 nan 8.270 nan 0.000 0.430 238 Q N -0.918 118.442 119.800 -0.733 0.000 2.353 238 Q HA 0.190 4.530 4.340 -0.000 0.000 0.240 238 Q C 0.853 176.398 176.000 -0.758 0.000 0.868 238 Q CA 0.309 55.669 55.803 -0.739 0.000 0.944 238 Q CB 1.411 29.587 28.738 -0.938 0.000 1.104 238 Q HN 0.402 nan 8.270 nan 0.000 0.531 239 G N 1.809 109.953 108.800 -1.094 0.000 2.582 239 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.288 239 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.288 239 G C 0.842 175.154 174.900 -0.981 0.000 1.247 239 G CA 1.011 45.142 45.100 -1.615 0.000 0.972 239 G HN 0.376 nan 8.290 nan 0.000 0.557 240 T N -1.665 112.545 114.554 -0.573 0.000 3.035 240 T HA 0.080 4.429 4.350 -0.000 0.000 0.268 240 T C 2.326 176.957 174.700 -0.116 0.000 1.109 240 T CA 1.972 63.980 62.100 -0.154 0.000 1.119 240 T CB -0.101 68.772 68.868 0.008 0.000 0.900 240 T HN 0.399 nan 8.240 nan 0.000 0.503 241 M N 1.409 120.903 119.600 -0.176 0.000 2.435 241 M HA 0.138 4.618 4.480 -0.000 0.000 0.262 241 M C 2.626 178.877 176.300 -0.083 0.000 1.065 241 M CA 0.984 56.234 55.300 -0.082 0.000 1.076 241 M CB -1.480 31.032 32.600 -0.146 0.000 1.403 241 M HN 0.558 nan 8.290 nan 0.000 0.454 242 A N -0.005 122.714 122.820 -0.169 0.000 2.070 242 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 242 A C 2.340 179.962 177.584 0.064 0.000 1.159 242 A CA 1.600 53.605 52.037 -0.054 0.000 0.656 242 A CB -0.611 18.380 19.000 -0.015 0.000 0.800 242 A HN 0.484 nan 8.150 nan 0.000 0.453 243 A N -0.539 122.246 122.820 -0.058 0.000 2.121 243 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 243 A C 2.087 179.675 177.584 0.007 0.000 1.154 243 A CA 1.340 53.301 52.037 -0.127 0.000 0.679 243 A CB -0.625 17.938 19.000 -0.729 0.000 0.795 243 A HN 0.318 nan 8.150 nan 0.000 0.458 244 V N 0.229 120.241 119.914 0.163 0.000 2.233 244 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 244 V C 2.596 178.813 176.094 0.205 0.000 1.050 244 V CA 2.225 64.696 62.300 0.285 0.000 1.010 244 V CB -0.636 31.329 31.823 0.236 0.000 0.637 244 V HN 0.512 nan 8.190 nan 0.000 0.444 245 E N -1.179 119.141 120.200 0.201 0.000 2.072 245 E HA -0.244 4.106 4.350 -0.000 0.000 0.191 245 E C 1.793 178.497 176.600 0.174 0.000 0.985 245 E CA 1.457 57.967 56.400 0.184 0.000 0.801 245 E CB -0.381 29.462 29.700 0.240 0.000 0.750 245 E HN 0.805 nan 8.360 nan 0.000 0.452 246 W N 1.047 122.382 121.300 0.058 0.000 2.335 246 W HA -0.250 4.409 4.660 -0.000 0.000 0.311 246 W C 2.396 178.925 176.519 0.017 0.000 1.213 246 W CA 1.623 58.991 57.345 0.039 0.000 1.274 246 W CB -0.518 28.975 29.460 0.056 0.000 1.148 246 W HN 0.029 nan 8.180 nan 0.000 0.498 247 C N 0.213 119.580 119.300 0.112 0.000 2.440 247 C HA -0.153 4.307 4.460 -0.000 0.000 0.278 247 C C 2.508 177.411 174.990 -0.146 0.000 1.295 247 C CA 1.561 60.542 59.018 -0.062 0.000 1.738 247 C CB -1.741 26.108 27.740 0.180 0.000 1.987 247 C HN 0.509 nan 8.230 nan 0.000 0.492 248 N N 0.604 119.264 118.700 -0.067 0.000 2.166 248 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 248 N C 1.616 176.971 175.510 -0.259 0.000 1.019 248 N CA 1.736 54.722 53.050 -0.106 0.000 0.856 248 N CB -0.279 38.176 38.487 -0.053 0.000 0.993 248 N HN 0.407 nan 8.380 nan 0.000 0.426 249 T N -0.009 114.393 114.554 -0.254 0.000 2.915 249 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 249 T C 0.865 175.295 174.700 -0.451 0.000 1.071 249 T CA 0.824 62.742 62.100 -0.303 0.000 1.132 249 T CB -0.116 68.643 68.868 -0.183 0.000 0.878 249 T HN 0.315 nan 8.240 nan 0.000 0.479 250 N N 0.328 118.721 118.700 -0.512 0.000 2.238 250 N HA 0.109 4.849 4.740 -0.000 0.000 0.222 250 N C -0.657 174.781 175.510 -0.119 0.000 1.133 250 N CA -0.073 52.744 53.050 -0.389 0.000 0.854 250 N CB 0.377 38.434 38.487 -0.717 0.000 1.041 250 N HN 0.341 nan 8.380 nan 0.000 0.510 251 Y N -0.253 120.050 120.300 0.005 0.000 3.491 251 Y HA -0.321 4.229 4.550 -0.000 0.000 0.215 251 Y C 1.137 177.124 175.900 0.146 0.000 1.219 251 Y CA 0.492 58.654 58.100 0.103 0.000 1.485 251 Y CB -2.200 36.315 38.460 0.091 0.000 1.450 251 Y HN 0.230 nan 8.280 nan 0.000 0.603 252 A N -0.819 122.065 122.820 0.107 0.000 2.469 252 A HA 0.437 4.757 4.320 -0.000 0.000 0.245 252 A C 0.319 177.994 177.584 0.152 0.000 1.221 252 A CA -0.264 51.869 52.037 0.160 0.000 0.946 252 A CB 0.410 19.427 19.000 0.029 0.000 1.049 252 A HN 0.230 nan 8.150 nan 0.000 0.529 253 L N 1.988 123.265 121.223 0.090 0.000 2.385 253 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 253 L C -2.743 174.101 176.870 -0.043 0.000 1.106 253 L CA -2.096 52.771 54.840 0.045 0.000 0.856 253 L CB 0.365 42.447 42.059 0.038 0.000 1.186 253 L HN -0.099 nan 8.230 nan 0.000 0.453 254 P HA 0.082 nan 4.420 nan 0.000 0.261 254 P C -1.242 175.799 177.300 -0.432 0.000 1.203 254 P CA 0.393 63.195 63.100 -0.497 0.000 0.767 254 P CB 0.348 31.414 31.700 -1.057 0.000 0.785 255 T N 4.980 119.352 114.554 -0.303 0.000 2.840 255 T HA 0.341 4.690 4.350 -0.000 0.000 0.287 255 T C -0.329 174.159 174.700 -0.353 0.000 0.991 255 T CA -0.861 61.036 62.100 -0.338 0.000 0.964 255 T CB 0.798 69.566 68.868 -0.167 0.000 0.954 255 T HN 0.286 nan 8.240 nan 0.000 0.438 256 R N 2.745 122.922 120.500 -0.537 0.000 2.992 256 R HA -0.204 4.136 4.340 -0.000 0.000 0.263 256 R C -0.003 175.990 176.300 -0.512 0.000 0.902 256 R CA 0.250 55.732 56.100 -1.030 0.000 0.667 256 R CB -1.611 27.870 30.300 -1.365 0.000 1.504 256 R HN 0.894 nan 8.270 nan 0.000 0.489 257 N N 0.462 119.134 118.700 -0.047 0.000 2.727 257 N HA -0.250 4.489 4.740 -0.000 0.000 0.249 257 N C -0.367 175.356 175.510 0.356 0.000 1.048 257 N CA 1.629 54.837 53.050 0.263 0.000 0.714 257 N CB -0.891 37.852 38.487 0.428 0.000 0.959 257 N HN 0.598 nan 8.380 nan 0.000 0.544 258 F N -3.201 116.772 119.950 0.039 0.000 2.973 258 F HA -0.322 4.205 4.527 -0.000 0.000 0.299 258 F C 1.865 177.800 175.800 0.226 0.000 0.737 258 F CA 1.166 59.239 58.000 0.122 0.000 1.151 258 F CB -2.148 36.918 39.000 0.110 0.000 1.440 258 F HN 0.320 nan 8.300 nan 0.000 0.367 259 S N -0.886 114.956 115.700 0.237 0.000 2.370 259 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 259 S C 0.857 175.626 174.600 0.281 0.000 1.033 259 S CA 1.953 60.282 58.200 0.215 0.000 1.011 259 S CB 0.029 63.229 63.200 0.000 0.000 0.852 259 S HN 0.502 nan 8.310 nan 0.000 0.457 260 D N -2.598 117.934 120.400 0.219 0.000 2.566 260 D HA 0.616 5.255 4.640 -0.000 0.000 0.254 260 D C 0.297 176.776 176.300 0.299 0.000 1.090 260 D CA -0.001 54.148 54.000 0.247 0.000 1.034 260 D CB 1.580 42.480 40.800 0.167 0.000 1.434 260 D HN 0.124 nan 8.370 nan 0.000 0.509 261 G N -0.360 108.648 108.800 0.347 0.000 3.324 261 G HA2 0.154 4.114 3.960 -0.000 0.000 0.251 261 G HA3 0.154 4.114 3.960 -0.000 0.000 0.251 261 G C -0.673 174.402 174.900 0.292 0.000 1.072 261 G CA 0.057 45.352 45.100 0.325 0.000 0.787 261 G HN 0.312 nan 8.290 nan 0.000 0.537 262 Y N 0.199 120.601 120.300 0.170 0.000 2.442 262 Y HA 0.704 5.254 4.550 -0.000 0.000 0.344 262 Y C -2.176 173.818 175.900 0.157 0.000 0.976 262 Y CA -2.342 55.823 58.100 0.108 0.000 1.040 262 Y CB 1.927 40.489 38.460 0.169 0.000 1.228 262 Y HN -0.088 nan 8.280 nan 0.000 0.451 263 F N 5.721 125.164 119.950 -0.846 0.000 2.477 263 F HA 0.422 4.948 4.527 -0.000 0.000 0.335 263 F C 0.469 175.676 175.800 -0.988 0.000 1.130 263 F CA -1.581 56.022 58.000 -0.663 0.000 0.948 263 F CB 1.785 40.586 39.000 -0.332 0.000 1.154 263 F HN 0.678 nan 8.300 nan 0.000 0.439 264 E N 3.760 123.320 120.200 -1.066 0.000 2.209 264 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 264 E C 0.408 176.222 176.600 -1.310 0.000 0.993 264 E CA 1.537 57.289 56.400 -1.081 0.000 0.819 264 E CB -0.275 28.755 29.700 -1.117 0.000 0.745 264 E HN 0.487 nan 8.360 nan 0.000 0.477 265 F N -0.412 118.745 119.950 -1.321 0.000 2.772 265 F HA 0.512 5.038 4.527 -0.000 0.000 0.302 265 F C 1.567 176.984 175.800 -0.638 0.000 1.136 265 F CA -0.513 56.936 58.000 -0.919 0.000 1.322 265 F CB -0.220 38.306 39.000 -0.789 0.000 0.967 265 F HN -0.011 nan 8.300 nan 0.000 0.513 266 A N 0.596 123.174 122.820 -0.403 0.000 1.940 266 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 266 A C 2.456 180.063 177.584 0.039 0.000 1.176 266 A CA 1.398 53.427 52.037 -0.013 0.000 0.631 266 A CB -0.385 18.591 19.000 -0.040 0.000 0.814 266 A HN 0.364 nan 8.150 nan 0.000 0.446 267 R N 0.360 120.859 120.500 -0.001 0.000 2.105 267 R HA -0.118 4.221 4.340 -0.000 0.000 0.239 267 R C 2.185 178.525 176.300 0.066 0.000 1.135 267 R CA 1.676 57.806 56.100 0.050 0.000 0.967 267 R CB -0.444 29.871 30.300 0.026 0.000 0.861 267 R HN 0.690 nan 8.270 nan 0.000 0.442 268 S N 0.577 116.309 115.700 0.053 0.000 2.607 268 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 268 S C 1.520 176.153 174.600 0.055 0.000 0.969 268 S CA 0.360 58.587 58.200 0.045 0.000 0.927 268 S CB -0.330 62.880 63.200 0.018 0.000 0.772 268 S HN 0.523 nan 8.310 nan 0.000 0.533 269 I N -1.172 119.450 120.570 0.088 0.000 3.994 269 I HA 0.391 4.560 4.170 -0.000 0.000 0.323 269 I C -0.312 175.854 176.117 0.082 0.000 1.501 269 I CA -0.832 60.517 61.300 0.083 0.000 1.112 269 I CB 0.172 38.247 38.000 0.124 0.000 1.254 269 I HN 0.003 nan 8.210 nan 0.000 0.495 270 D N 1.246 121.703 120.400 0.095 0.000 2.506 270 D HA 0.278 4.917 4.640 -0.000 0.000 0.272 270 D C 1.525 177.858 176.300 0.055 0.000 1.214 270 D CA 0.081 54.145 54.000 0.107 0.000 1.067 270 D CB 0.760 41.658 40.800 0.165 0.000 1.117 270 D HN -0.013 nan 8.370 nan 0.000 0.578 271 G N -1.354 107.445 108.800 -0.001 0.000 2.432 271 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 271 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 271 G C 1.181 175.958 174.900 -0.204 0.000 1.135 271 G CA 0.619 45.618 45.100 -0.169 0.000 0.767 271 G HN 0.497 nan 8.290 nan 0.000 0.550 272 Y N 0.955 121.271 120.300 0.026 0.000 2.263 272 Y HA -0.019 4.530 4.550 -0.000 0.000 0.292 272 Y C 3.231 179.134 175.900 0.005 0.000 1.130 272 Y CA 1.471 59.587 58.100 0.028 0.000 1.179 272 Y CB -0.545 37.947 38.460 0.053 0.000 0.998 272 Y HN 0.092 nan 8.280 nan 0.000 0.532 273 T N 0.462 115.107 114.554 0.153 0.000 2.777 273 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 273 T C 2.071 176.785 174.700 0.023 0.000 1.040 273 T CA 1.323 63.468 62.100 0.075 0.000 1.141 273 T CB -0.276 68.629 68.868 0.060 0.000 0.868 273 T HN 0.251 nan 8.240 nan 0.000 0.444 274 M N 1.450 121.045 119.600 -0.008 0.000 2.117 274 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 274 M C 1.982 178.245 176.300 -0.061 0.000 1.065 274 M CA 1.720 56.990 55.300 -0.050 0.000 1.114 274 M CB -0.646 31.902 32.600 -0.087 0.000 1.361 274 M HN 0.296 nan 8.290 nan 0.000 0.408 275 E N -0.569 119.593 120.200 -0.063 0.000 2.085 275 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 275 E C 1.784 178.373 176.600 -0.019 0.000 0.994 275 E CA 1.259 57.625 56.400 -0.057 0.000 0.801 275 E CB -0.424 29.255 29.700 -0.035 0.000 0.743 275 E HN 0.710 nan 8.360 nan 0.000 0.453 276 G N -0.049 108.756 108.800 0.009 0.000 2.679 276 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.212 276 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.212 276 G C 1.275 176.172 174.900 -0.005 0.000 1.137 276 G CA 0.209 45.315 45.100 0.011 0.000 0.787 276 G HN 0.118 nan 8.290 nan 0.000 0.534 277 M N -0.721 118.868 119.600 -0.017 0.000 2.313 277 M HA 0.259 4.739 4.480 -0.000 0.000 0.273 277 M C 0.777 177.057 176.300 -0.033 0.000 1.049 277 M CA -0.124 55.161 55.300 -0.024 0.000 1.004 277 M CB 0.813 33.397 32.600 -0.027 0.000 1.461 277 M HN -0.118 nan 8.290 nan 0.000 0.514 278 K N 1.957 122.331 120.400 -0.043 0.000 2.412 278 K HA 0.130 4.449 4.320 -0.000 0.000 0.281 278 K C 0.726 177.300 176.600 -0.043 0.000 1.027 278 K CA -0.001 56.254 56.287 -0.054 0.000 0.989 278 K CB 1.078 33.534 32.500 -0.074 0.000 0.935 278 K HN 0.123 nan 8.250 nan 0.000 0.475 279 V N 0.320 120.208 119.914 -0.043 0.000 3.562 279 V HA 0.247 4.367 4.120 -0.000 0.000 0.270 279 V C 0.179 176.249 176.094 -0.040 0.000 1.418 279 V CA -0.130 62.149 62.300 -0.036 0.000 1.033 279 V CB 0.308 32.113 31.823 -0.029 0.000 0.820 279 V HN 0.782 nan 8.190 nan 0.000 0.441 280 Q N 0.278 120.048 119.800 -0.050 0.000 2.522 280 Q HA 0.482 4.822 4.340 -0.000 0.000 0.285 280 Q C -1.998 173.963 176.000 -0.064 0.000 0.982 280 Q CA -0.492 55.280 55.803 -0.052 0.000 0.805 280 Q CB 2.825 31.533 28.738 -0.051 0.000 1.457 280 Q HN 0.521 nan 8.270 nan 0.000 0.394 281 Q N 2.302 122.065 119.800 -0.061 0.000 2.274 281 Q HA 0.503 4.842 4.340 -0.000 0.000 0.268 281 Q C -1.500 174.469 176.000 -0.052 0.000 1.015 281 Q CA -0.350 55.411 55.803 -0.071 0.000 0.775 281 Q CB 1.728 30.417 28.738 -0.081 0.000 1.256 281 Q HN 0.571 nan 8.270 nan 0.000 0.442 282 R N 1.261 121.732 120.500 -0.050 0.000 2.939 282 R HA 0.896 5.236 4.340 -0.000 0.000 0.254 282 R C -0.473 175.820 176.300 -0.010 0.000 1.123 282 R CA -0.805 55.277 56.100 -0.031 0.000 1.020 282 R CB 2.095 32.371 30.300 -0.039 0.000 1.206 282 R HN 0.716 nan 8.270 nan 0.000 0.491 283 G N -0.298 108.508 108.800 0.010 0.000 2.645 283 G HA2 0.425 4.385 3.960 -0.000 0.000 0.292 283 G HA3 0.425 4.385 3.960 -0.000 0.000 0.292 283 G C -0.970 173.960 174.900 0.051 0.000 1.415 283 G CA -0.602 44.524 45.100 0.044 0.000 0.785 283 G HN 0.616 nan 8.290 nan 0.000 0.483 284 C N 0.101 119.452 119.300 0.084 0.000 2.480 284 C HA 0.591 5.050 4.460 -0.000 0.000 0.358 284 C C -1.877 173.160 174.990 0.079 0.000 1.309 284 C CA -0.837 58.235 59.018 0.091 0.000 2.465 284 C CB 0.695 28.511 27.740 0.127 0.000 2.379 284 C HN 0.508 nan 8.230 nan 0.000 0.642 285 P HA 0.105 nan 4.420 nan 0.000 0.266 285 P C -0.641 176.728 177.300 0.115 0.000 1.195 285 P CA 0.459 63.541 63.100 -0.030 0.000 0.768 285 P CB -0.080 31.600 31.700 -0.033 0.000 0.838 286 Y N -1.832 118.534 120.300 0.110 0.000 4.177 286 Y HA -0.239 4.311 4.550 -0.000 0.000 0.227 286 Y C 0.636 176.690 175.900 0.257 0.000 1.154 286 Y CA 0.212 58.412 58.100 0.168 0.000 1.887 286 Y CB -2.099 36.478 38.460 0.196 0.000 1.594 286 Y HN 0.398 nan 8.280 nan 0.000 0.668 287 C N 2.504 121.974 119.300 0.283 0.000 2.303 287 C HA 0.551 5.010 4.460 -0.000 0.000 0.326 287 C C 1.213 176.337 174.990 0.223 0.000 1.285 287 C CA -0.111 59.084 59.018 0.294 0.000 1.675 287 C CB 0.132 28.010 27.740 0.230 0.000 2.289 287 C HN 0.529 nan 8.230 nan 0.000 0.512 288 N N 4.248 123.113 118.700 0.275 0.000 2.235 288 N HA 0.076 4.816 4.740 -0.000 0.000 0.209 288 N C -0.053 175.659 175.510 0.336 0.000 1.122 288 N CA -0.091 53.081 53.050 0.203 0.000 0.845 288 N CB -0.076 38.466 38.487 0.091 0.000 1.004 288 N HN 0.875 nan 8.380 nan 0.000 0.499 289 M N -1.367 118.430 119.600 0.328 0.000 3.124 289 M HA 0.502 4.982 4.480 -0.000 0.000 0.298 289 M C -2.879 173.625 176.300 0.339 0.000 1.403 289 M CA -1.567 53.948 55.300 0.359 0.000 0.651 289 M CB 1.346 34.151 32.600 0.342 0.000 1.412 289 M HN -0.300 nan 8.290 nan 0.000 0.477 290 P HA -0.017 nan 4.420 nan 0.000 0.264 290 P C 0.401 177.718 177.300 0.030 0.000 1.183 290 P CA 0.208 63.379 63.100 0.119 0.000 0.763 290 P CB 0.858 32.590 31.700 0.054 0.000 0.807 291 C N 0.528 119.838 119.300 0.017 0.000 3.386 291 C HA 0.453 4.913 4.460 -0.000 0.000 0.279 291 C C 1.205 176.094 174.990 -0.167 0.000 1.508 291 C CA -0.098 58.800 59.018 -0.200 0.000 1.801 291 C CB -0.666 26.984 27.740 -0.149 0.000 2.798 291 C HN 0.560 nan 8.230 nan 0.000 0.605 292 G N 2.908 111.659 108.800 -0.081 0.000 2.865 292 G HA2 0.237 4.197 3.960 -0.000 0.000 0.292 292 G HA3 0.237 4.197 3.960 -0.000 0.000 0.292 292 G C -0.324 174.516 174.900 -0.099 0.000 0.800 292 G CA -0.086 44.974 45.100 -0.067 0.000 1.838 292 G HN 0.563 nan 8.290 nan 0.000 0.535 293 N N 1.158 119.777 118.700 -0.135 0.000 2.411 293 N HA 0.156 4.896 4.740 -0.000 0.000 0.259 293 N C -0.200 175.252 175.510 -0.096 0.000 1.103 293 N CA -0.023 52.945 53.050 -0.137 0.000 0.954 293 N CB 2.231 40.604 38.487 -0.191 0.000 1.085 293 N HN 0.059 nan 8.380 nan 0.000 0.485 294 V N 3.034 122.898 119.914 -0.082 0.000 2.394 294 V HA 0.383 4.502 4.120 -0.000 0.000 0.282 294 V C 0.713 176.774 176.094 -0.056 0.000 1.031 294 V CA -0.741 61.521 62.300 -0.064 0.000 0.881 294 V CB 1.373 33.157 31.823 -0.064 0.000 0.982 294 V HN 0.413 nan 8.190 nan 0.000 0.451 295 V N 3.335 123.223 119.914 -0.044 0.000 3.204 295 V HA 0.684 4.804 4.120 -0.000 0.000 0.316 295 V C -0.527 175.552 176.094 -0.024 0.000 1.160 295 V CA -1.109 61.169 62.300 -0.037 0.000 1.044 295 V CB 2.139 33.939 31.823 -0.038 0.000 1.136 295 V HN 0.599 nan 8.190 nan 0.000 0.455 296 L N 2.148 123.358 121.223 -0.021 0.000 2.295 296 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 296 L C -0.220 176.642 176.870 -0.013 0.000 1.035 296 L CA -0.578 54.255 54.840 -0.011 0.000 0.806 296 L CB 1.556 43.608 42.059 -0.011 0.000 1.214 296 L HN 1.023 nan 8.230 nan 0.000 0.426 297 D N 2.183 122.582 120.400 -0.003 0.000 2.478 297 D HA 0.191 4.831 4.640 -0.000 0.000 0.269 297 D C 1.036 177.324 176.300 -0.021 0.000 1.232 297 D CA -0.236 53.757 54.000 -0.013 0.000 1.059 297 D CB 0.785 41.591 40.800 0.011 0.000 1.104 297 D HN 0.464 nan 8.370 nan 0.000 0.566 298 A N -0.755 122.037 122.820 -0.047 0.000 2.076 298 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 298 A C 1.556 179.143 177.584 0.005 0.000 1.160 298 A CA 1.354 53.362 52.037 -0.049 0.000 0.653 298 A CB -0.771 18.157 19.000 -0.120 0.000 0.801 298 A HN 0.652 nan 8.150 nan 0.000 0.455 299 E N -1.517 118.703 120.200 0.033 0.000 2.465 299 E HA 0.335 4.685 4.350 -0.000 0.000 0.195 299 E C 0.963 177.583 176.600 0.032 0.000 1.028 299 E CA 0.157 56.584 56.400 0.046 0.000 0.899 299 E CB 0.007 29.750 29.700 0.071 0.000 1.032 299 E HN 0.654 nan 8.360 nan 0.000 0.468 300 G N 1.602 110.414 108.800 0.019 0.000 2.155 300 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.257 300 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.257 300 G C 0.161 175.073 174.900 0.021 0.000 0.983 300 G CA 0.116 45.225 45.100 0.015 0.000 0.676 300 G HN 0.154 nan 8.290 nan 0.000 0.528 301 Q N 0.373 120.193 119.800 0.032 0.000 2.222 301 Q HA 0.421 4.761 4.340 -0.000 0.000 0.252 301 Q C 0.414 176.436 176.000 0.037 0.000 0.926 301 Q CA -0.449 55.380 55.803 0.045 0.000 0.899 301 Q CB 1.150 29.931 28.738 0.072 0.000 1.250 301 Q HN 0.636 nan 8.270 nan 0.000 0.441 302 E N 0.784 121.002 120.200 0.029 0.000 2.392 302 E HA 0.213 4.562 4.350 -0.000 0.000 0.264 302 E C -0.560 176.059 176.600 0.032 0.000 1.024 302 E CA 0.153 56.556 56.400 0.006 0.000 0.903 302 E CB 0.814 30.494 29.700 -0.033 0.000 0.963 302 E HN 0.306 nan 8.360 nan 0.000 0.432 303 S N 2.253 117.962 115.700 0.015 0.000 2.614 303 S HA 0.080 4.550 4.470 -0.000 0.000 0.275 303 S C -1.186 173.417 174.600 0.004 0.000 1.161 303 S CA -0.768 57.456 58.200 0.040 0.000 0.969 303 S CB 1.256 64.484 63.200 0.046 0.000 1.059 303 S HN 0.506 nan 8.310 nan 0.000 0.482 304 E N 4.819 125.024 120.200 0.009 0.000 2.194 304 E HA 0.367 4.717 4.350 -0.000 0.000 0.284 304 E C -0.928 175.667 176.600 -0.008 0.000 1.035 304 E CA -0.347 56.044 56.400 -0.015 0.000 0.836 304 E CB 0.554 30.244 29.700 -0.017 0.000 1.070 304 E HN 0.602 nan 8.360 nan 0.000 0.401 305 L N 4.792 125.994 121.223 -0.035 0.000 2.295 305 L HA 0.440 4.780 4.340 -0.000 0.000 0.285 305 L C -0.139 176.702 176.870 -0.049 0.000 1.035 305 L CA -0.667 54.149 54.840 -0.040 0.000 0.806 305 L CB 1.274 43.301 42.059 -0.053 0.000 1.214 305 L HN 0.437 nan 8.230 nan 0.000 0.426 306 D N 0.797 121.180 120.400 -0.029 0.000 2.575 306 D HA 0.068 4.708 4.640 -0.000 0.000 0.236 306 D C 0.265 176.562 176.300 -0.006 0.000 1.075 306 D CA -0.520 53.476 54.000 -0.007 0.000 0.860 306 D CB 2.476 43.294 40.800 0.030 0.000 1.475 306 D HN 0.445 nan 8.370 nan 0.000 0.474 307 Y N 2.358 122.613 120.300 -0.076 0.000 2.062 307 Y HA -0.331 4.219 4.550 -0.000 0.000 0.276 307 Y C 1.930 177.778 175.900 -0.088 0.000 1.189 307 Y CA 2.049 60.099 58.100 -0.084 0.000 1.130 307 Y CB 0.112 38.518 38.460 -0.091 0.000 0.959 307 Y HN 0.352 nan 8.280 nan 0.000 0.499 308 E N 0.366 120.363 120.200 -0.338 0.000 2.097 308 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 308 E C 1.783 178.189 176.600 -0.323 0.000 1.000 308 E CA 1.477 57.634 56.400 -0.406 0.000 0.804 308 E CB -0.611 29.055 29.700 -0.057 0.000 0.740 308 E HN 0.624 nan 8.360 nan 0.000 0.454 309 N N 0.574 119.164 118.700 -0.184 0.000 2.104 309 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 309 N C 2.040 177.451 175.510 -0.164 0.000 1.024 309 N CA 0.993 53.969 53.050 -0.123 0.000 0.853 309 N CB -0.578 37.875 38.487 -0.056 0.000 1.008 309 N HN 0.038 nan 8.380 nan 0.000 0.424 310 V N 1.048 120.833 119.914 -0.215 0.000 2.488 310 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 310 V C 2.349 178.280 176.094 -0.271 0.000 1.046 310 V CA 1.481 63.666 62.300 -0.191 0.000 1.053 310 V CB -0.907 30.838 31.823 -0.130 0.000 0.679 310 V HN 0.298 nan 8.190 nan 0.000 0.458 311 A N 0.022 122.551 122.820 -0.486 0.000 1.873 311 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 311 A C 2.058 179.417 177.584 -0.376 0.000 1.186 311 A CA 1.485 53.220 52.037 -0.504 0.000 0.616 311 A CB -0.417 18.075 19.000 -0.845 0.000 0.823 311 A HN 0.386 nan 8.150 nan 0.000 0.442 312 L N -0.909 120.122 121.223 -0.320 0.000 2.341 312 L HA 0.134 4.473 4.340 -0.000 0.000 0.214 312 L C 1.859 178.642 176.870 -0.145 0.000 1.115 312 L CA 1.145 55.855 54.840 -0.217 0.000 0.820 312 L CB -1.023 40.948 42.059 -0.148 0.000 0.944 312 L HN 0.367 nan 8.230 nan 0.000 0.452 313 L N -1.971 119.174 121.223 -0.130 0.000 2.693 313 L HA 0.223 4.563 4.340 -0.000 0.000 0.235 313 L C 1.657 178.490 176.870 -0.062 0.000 1.127 313 L CA 0.179 54.981 54.840 -0.062 0.000 0.914 313 L CB 0.258 42.299 42.059 -0.030 0.000 1.193 313 L HN 0.203 nan 8.230 nan 0.000 0.502 314 G N -0.258 108.463 108.800 -0.131 0.000 2.583 314 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 314 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 314 G C 1.405 176.115 174.900 -0.316 0.000 2.072 314 G CA 0.745 45.764 45.100 -0.135 0.000 0.745 314 G HN 0.193 nan 8.290 nan 0.000 0.762 315 S N 1.171 116.577 115.700 -0.491 0.000 2.387 315 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 315 S C 1.957 176.102 174.600 -0.757 0.000 1.035 315 S CA 1.958 59.522 58.200 -1.060 0.000 1.014 315 S CB -0.587 62.193 63.200 -0.702 0.000 0.836 315 S HN 0.407 nan 8.310 nan 0.000 0.466 316 N N 1.326 119.748 118.700 -0.463 0.000 2.364 316 N HA 0.043 4.782 4.740 -0.000 0.000 0.183 316 N C 1.276 176.706 175.510 -0.133 0.000 1.022 316 N CA 1.026 53.869 53.050 -0.345 0.000 0.883 316 N CB -0.382 37.913 38.487 -0.320 0.000 0.965 316 N HN 0.541 nan 8.380 nan 0.000 0.438 317 L N -1.648 119.521 121.223 -0.089 0.000 2.640 317 L HA 0.348 4.688 4.340 -0.000 0.000 0.230 317 L C 1.075 178.057 176.870 0.187 0.000 1.123 317 L CA 0.269 55.199 54.840 0.151 0.000 0.900 317 L CB -0.127 41.982 42.059 0.085 0.000 1.146 317 L HN 0.248 nan 8.230 nan 0.000 0.484 318 G N 1.644 110.372 108.800 -0.121 0.000 2.160 318 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 318 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 318 G C 0.120 175.135 174.900 0.191 0.000 1.008 318 G CA 0.005 45.086 45.100 -0.030 0.000 0.724 318 G HN 0.342 nan 8.290 nan 0.000 0.514 319 I N 0.784 121.404 120.570 0.085 0.000 2.312 319 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 319 I C 1.383 177.673 176.117 0.288 0.000 1.008 319 I CA 0.125 61.529 61.300 0.173 0.000 1.226 319 I CB 1.560 39.625 38.000 0.108 0.000 1.371 319 I HN 0.076 nan 8.210 nan 0.000 0.468 320 G N 5.925 114.915 108.800 0.316 0.000 3.434 320 G HA2 0.185 4.145 3.960 -0.000 0.000 0.258 320 G HA3 0.185 4.145 3.960 -0.000 0.000 0.258 320 G C 0.390 175.328 174.900 0.063 0.000 1.128 320 G CA -0.210 45.069 45.100 0.297 0.000 0.792 320 G HN 0.467 nan 8.290 nan 0.000 0.539 321 K N 0.570 120.963 120.400 -0.012 0.000 2.394 321 K HA 0.335 4.655 4.320 -0.000 0.000 0.260 321 K C 0.372 176.922 176.600 -0.082 0.000 0.967 321 K CA -0.807 55.434 56.287 -0.076 0.000 0.855 321 K CB 2.434 34.846 32.500 -0.148 0.000 1.101 321 K HN -0.042 nan 8.250 nan 0.000 0.433 322 L N 3.779 124.973 121.223 -0.049 0.000 2.079 322 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 322 L C 1.886 178.705 176.870 -0.086 0.000 1.081 322 L CA 2.012 56.823 54.840 -0.049 0.000 0.752 322 L CB -0.464 41.580 42.059 -0.024 0.000 0.896 322 L HN 0.768 nan 8.230 nan 0.000 0.433 323 N N -0.819 117.816 118.700 -0.109 0.000 2.223 323 N HA -0.227 4.513 4.740 -0.000 0.000 0.185 323 N C 1.542 176.924 175.510 -0.214 0.000 1.016 323 N CA 1.866 54.841 53.050 -0.126 0.000 0.863 323 N CB -0.557 37.865 38.487 -0.108 0.000 0.983 323 N HN 0.552 nan 8.380 nan 0.000 0.429 324 E N 0.114 120.097 120.200 -0.362 0.000 2.086 324 E HA 0.022 4.372 4.350 -0.000 0.000 0.190 324 E C 1.988 178.364 176.600 -0.373 0.000 0.975 324 E CA 0.709 56.654 56.400 -0.758 0.000 0.813 324 E CB 0.078 29.085 29.700 -1.154 0.000 0.768 324 E HN 0.107 nan 8.360 nan 0.000 0.457 325 V N 1.373 121.178 119.914 -0.181 0.000 2.392 325 V HA -0.250 3.869 4.120 -0.000 0.000 0.249 325 V C 2.177 178.262 176.094 -0.015 0.000 1.059 325 V CA 1.817 64.090 62.300 -0.046 0.000 1.051 325 V CB -0.401 31.398 31.823 -0.041 0.000 0.658 325 V HN 0.193 nan 8.190 nan 0.000 0.455 326 S N -0.381 115.295 115.700 -0.040 0.000 2.423 326 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 326 S C 1.969 176.591 174.600 0.037 0.000 1.014 326 S CA 1.230 59.426 58.200 -0.006 0.000 0.965 326 S CB -0.063 63.125 63.200 -0.021 0.000 0.785 326 S HN 0.419 nan 8.310 nan 0.000 0.495 327 V N 2.086 122.033 119.914 0.056 0.000 2.307 327 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 327 V C 2.126 178.313 176.094 0.155 0.000 1.045 327 V CA 1.413 63.797 62.300 0.142 0.000 1.024 327 V CB -0.654 31.342 31.823 0.289 0.000 0.651 327 V HN 0.438 nan 8.190 nan 0.000 0.449 328 L N 0.227 121.559 121.223 0.182 0.000 2.046 328 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 328 L C 2.406 179.319 176.870 0.072 0.000 1.077 328 L CA 2.115 57.034 54.840 0.132 0.000 0.747 328 L CB -0.845 41.297 42.059 0.139 0.000 0.896 328 L HN 0.444 nan 8.230 nan 0.000 0.432 329 N N 0.583 119.318 118.700 0.059 0.000 2.069 329 N HA -0.260 4.480 4.740 -0.000 0.000 0.191 329 N C 2.038 177.587 175.510 0.066 0.000 1.031 329 N CA 1.440 54.517 53.050 0.046 0.000 0.852 329 N CB -0.087 38.419 38.487 0.031 0.000 1.018 329 N HN 0.118 nan 8.380 nan 0.000 0.423 330 R N 0.214 120.764 120.500 0.083 0.000 2.096 330 R HA -0.037 4.302 4.340 -0.000 0.000 0.235 330 R C 2.074 178.387 176.300 0.020 0.000 1.127 330 R CA 1.266 57.434 56.100 0.113 0.000 0.968 330 R CB -0.316 30.066 30.300 0.136 0.000 0.861 330 R HN 0.348 nan 8.270 nan 0.000 0.440 331 I N 0.941 121.517 120.570 0.010 0.000 2.226 331 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 331 I C 2.584 178.656 176.117 -0.075 0.000 1.100 331 I CA 1.304 62.579 61.300 -0.041 0.000 1.374 331 I CB -0.392 37.607 38.000 -0.002 0.000 1.057 331 I HN 0.319 nan 8.210 nan 0.000 0.413 332 A N 0.422 123.227 122.820 -0.024 0.000 1.902 332 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 332 A C 1.965 179.525 177.584 -0.040 0.000 1.181 332 A CA 2.054 54.081 52.037 -0.017 0.000 0.623 332 A CB -0.543 18.472 19.000 0.024 0.000 0.818 332 A HN 0.333 nan 8.150 nan 0.000 0.443 333 D N -0.379 120.011 120.400 -0.018 0.000 2.097 333 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 333 D C 1.976 178.114 176.300 -0.270 0.000 0.984 333 D CA 1.344 55.350 54.000 0.009 0.000 0.826 333 D CB -0.386 40.574 40.800 0.266 0.000 0.973 333 D HN 0.626 nan 8.370 nan 0.000 0.460 334 E N -0.214 119.642 120.200 -0.573 0.000 2.077 334 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 334 E C 1.928 178.267 176.600 -0.436 0.000 0.989 334 E CA 0.736 56.637 56.400 -0.831 0.000 0.800 334 E CB 0.032 29.337 29.700 -0.659 0.000 0.746 334 E HN 0.197 nan 8.360 nan 0.000 0.452 335 M N -0.999 118.419 119.600 -0.303 0.000 2.506 335 M HA 0.082 4.562 4.480 -0.000 0.000 0.260 335 M C 1.124 177.290 176.300 -0.222 0.000 1.104 335 M CA 0.829 55.960 55.300 -0.282 0.000 1.112 335 M CB -0.148 32.280 32.600 -0.286 0.000 1.401 335 M HN 0.216 nan 8.290 nan 0.000 0.473 336 G N 3.299 112.006 108.800 -0.156 0.000 2.326 336 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.286 336 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.286 336 G C -0.065 174.800 174.900 -0.058 0.000 1.096 336 G CA 0.503 45.551 45.100 -0.086 0.000 1.003 336 G HN 0.563 nan 8.290 nan 0.000 0.503 337 M N -1.077 118.509 119.600 -0.023 0.000 2.457 337 M HA 0.664 5.144 4.480 -0.000 0.000 0.300 337 M C -0.600 175.769 176.300 0.116 0.000 1.141 337 M CA -1.177 54.152 55.300 0.049 0.000 0.901 337 M CB 1.930 34.549 32.600 0.031 0.000 1.687 337 M HN 0.018 nan 8.290 nan 0.000 0.449 338 D N 2.685 123.200 120.400 0.191 0.000 2.472 338 D HA 0.042 4.682 4.640 -0.000 0.000 0.248 338 D C 1.262 177.608 176.300 0.078 0.000 1.174 338 D CA 0.789 54.870 54.000 0.135 0.000 0.883 338 D CB 1.367 42.252 40.800 0.142 0.000 1.149 338 D HN 0.787 nan 8.370 nan 0.000 0.488 339 T N 2.024 116.604 114.554 0.043 0.000 2.720 339 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 339 T C 2.167 176.844 174.700 -0.039 0.000 1.037 339 T CA 1.029 63.133 62.100 0.007 0.000 1.144 339 T CB -0.379 68.490 68.868 0.001 0.000 0.864 339 T HN 0.518 nan 8.240 nan 0.000 0.444 340 I N 1.408 121.952 120.570 -0.043 0.000 2.090 340 I HA -0.158 4.012 4.170 -0.000 0.000 0.236 340 I C 3.025 179.068 176.117 -0.124 0.000 1.064 340 I CA 1.491 62.754 61.300 -0.062 0.000 1.324 340 I CB -0.589 37.391 38.000 -0.034 0.000 1.044 340 I HN 0.241 nan 8.210 nan 0.000 0.399 341 S N 0.728 116.297 115.700 -0.218 0.000 2.399 341 S HA -0.143 4.326 4.470 -0.000 0.000 0.231 341 S C 1.835 175.983 174.600 -0.754 0.000 1.022 341 S CA 1.092 58.996 58.200 -0.493 0.000 0.983 341 S CB -0.361 62.459 63.200 -0.633 0.000 0.803 341 S HN 0.295 nan 8.310 nan 0.000 0.480 342 L N 2.088 123.006 121.223 -0.508 0.000 2.005 342 L HA 0.061 4.400 4.340 -0.000 0.000 0.207 342 L C 2.269 179.073 176.870 -0.109 0.000 1.072 342 L CA 2.164 56.878 54.840 -0.211 0.000 0.744 342 L CB -1.361 40.729 42.059 0.051 0.000 0.895 342 L HN 0.274 nan 8.230 nan 0.000 0.433 343 G N -1.057 107.693 108.800 -0.083 0.000 2.422 343 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 343 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 343 G C 1.496 176.393 174.900 -0.005 0.000 1.146 343 G CA 1.058 46.136 45.100 -0.037 0.000 0.769 343 G HN 0.349 nan 8.290 nan 0.000 0.547 344 V N 0.955 120.857 119.914 -0.020 0.000 2.427 344 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 344 V C 3.076 179.211 176.094 0.069 0.000 1.051 344 V CA 2.109 64.451 62.300 0.069 0.000 1.048 344 V CB -0.340 31.524 31.823 0.070 0.000 0.666 344 V HN 0.347 nan 8.190 nan 0.000 0.456 345 S N -0.086 115.590 115.700 -0.040 0.000 2.368 345 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 345 S C 1.891 176.552 174.600 0.101 0.000 1.029 345 S CA 1.412 59.621 58.200 0.015 0.000 0.988 345 S CB -0.262 62.925 63.200 -0.023 0.000 0.838 345 S HN 0.497 nan 8.310 nan 0.000 0.462 346 I N 1.647 122.256 120.570 0.066 0.000 2.252 346 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 346 I C 2.662 178.815 176.117 0.060 0.000 1.102 346 I CA 1.069 62.403 61.300 0.058 0.000 1.385 346 I CB -0.459 37.561 38.000 0.034 0.000 1.064 346 I HN 0.263 nan 8.210 nan 0.000 0.414 347 A N -0.069 122.824 122.820 0.122 0.000 1.969 347 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 347 A C 2.136 179.851 177.584 0.218 0.000 1.169 347 A CA 1.851 54.012 52.037 0.207 0.000 0.635 347 A CB -0.921 18.267 19.000 0.313 0.000 0.810 347 A HN 0.509 nan 8.150 nan 0.000 0.445 348 H N -0.559 118.618 119.070 0.178 0.000 2.326 348 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 348 H C 1.854 177.320 175.328 0.230 0.000 1.081 348 H CA 2.028 58.239 56.048 0.272 0.000 1.334 348 H CB -0.068 29.798 29.762 0.172 0.000 1.385 348 H HN 0.129 nan 8.280 nan 0.000 0.504 349 V N 0.481 120.505 119.914 0.184 0.000 2.343 349 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 349 V C 2.494 178.534 176.094 -0.089 0.000 1.051 349 V CA 2.070 64.413 62.300 0.072 0.000 1.036 349 V CB -0.523 31.332 31.823 0.054 0.000 0.654 349 V HN 0.505 nan 8.190 nan 0.000 0.451 350 M N -0.486 118.967 119.600 -0.245 0.000 2.086 350 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 350 M C 2.285 178.215 176.300 -0.616 0.000 1.067 350 M CA 2.238 57.181 55.300 -0.594 0.000 1.116 350 M CB -0.441 31.447 32.600 -1.187 0.000 1.348 350 M HN 0.377 nan 8.290 nan 0.000 0.407 351 E N 0.340 120.273 120.200 -0.445 0.000 2.077 351 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 351 E C 1.896 178.310 176.600 -0.311 0.000 0.989 351 E CA 1.358 57.585 56.400 -0.288 0.000 0.800 351 E CB -0.009 29.471 29.700 -0.368 0.000 0.746 351 E HN 0.475 nan 8.360 nan 0.000 0.452 352 A N 0.291 123.040 122.820 -0.119 0.000 1.972 352 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 352 A C 2.345 179.923 177.584 -0.010 0.000 1.169 352 A CA 1.355 53.432 52.037 0.067 0.000 0.635 352 A CB -0.465 18.643 19.000 0.180 0.000 0.810 352 A HN 0.233 nan 8.150 nan 0.000 0.446 353 V N 0.081 119.952 119.914 -0.070 0.000 2.323 353 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 353 V C 2.319 178.374 176.094 -0.064 0.000 1.041 353 V CA 2.061 64.322 62.300 -0.065 0.000 1.025 353 V CB -0.770 30.996 31.823 -0.095 0.000 0.656 353 V HN 0.617 nan 8.190 nan 0.000 0.451 354 E N 0.011 120.152 120.200 -0.097 0.000 2.204 354 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 354 E C 2.158 178.736 176.600 -0.035 0.000 0.989 354 E CA 0.759 57.128 56.400 -0.050 0.000 0.824 354 E CB -0.102 29.588 29.700 -0.016 0.000 0.756 354 E HN 0.533 nan 8.360 nan 0.000 0.477 355 R N -0.561 119.905 120.500 -0.057 0.000 2.317 355 R HA 0.074 4.414 4.340 -0.000 0.000 0.208 355 R C 1.144 177.446 176.300 0.003 0.000 0.914 355 R CA 0.465 56.544 56.100 -0.035 0.000 1.060 355 R CB 0.558 30.814 30.300 -0.074 0.000 1.015 355 R HN 0.214 nan 8.270 nan 0.000 0.498 356 G N 1.081 109.882 108.800 0.002 0.000 2.162 356 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 356 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 356 G C 0.768 175.686 174.900 0.030 0.000 0.976 356 G CA 0.354 45.462 45.100 0.014 0.000 0.655 356 G HN 0.332 nan 8.290 nan 0.000 0.533 357 I N -0.274 120.326 120.570 0.049 0.000 2.353 357 I HA 0.152 4.322 4.170 -0.000 0.000 0.248 357 I C 1.405 177.555 176.117 0.056 0.000 1.119 357 I CA 0.855 62.197 61.300 0.071 0.000 1.417 357 I CB -0.048 38.029 38.000 0.127 0.000 1.078 357 I HN 0.115 nan 8.210 nan 0.000 0.421 358 L N 1.399 122.650 121.223 0.046 0.000 2.296 358 L HA 0.251 4.590 4.340 -0.000 0.000 0.286 358 L C 0.887 177.767 176.870 0.016 0.000 1.023 358 L CA -0.574 54.286 54.840 0.033 0.000 0.812 358 L CB 1.562 43.640 42.059 0.031 0.000 1.223 358 L HN -0.033 nan 8.230 nan 0.000 0.421 359 K N 1.522 121.930 120.400 0.014 0.000 2.228 359 K HA 0.102 4.422 4.320 -0.000 0.000 0.202 359 K C 0.003 176.603 176.600 0.000 0.000 1.051 359 K CA 0.741 57.032 56.287 0.007 0.000 0.960 359 K CB 0.152 32.657 32.500 0.009 0.000 0.743 359 K HN 0.553 nan 8.250 nan 0.000 0.458 360 E N -1.362 118.837 120.200 -0.001 0.000 2.367 360 E HA 0.640 4.990 4.350 -0.000 0.000 0.273 360 E C -0.525 176.067 176.600 -0.013 0.000 0.903 360 E CA -0.595 55.800 56.400 -0.008 0.000 0.764 360 E CB 2.415 32.111 29.700 -0.006 0.000 1.252 360 E HN 0.148 nan 8.360 nan 0.000 0.446 361 G N 1.342 110.128 108.800 -0.023 0.000 2.361 361 G HA2 0.069 4.029 3.960 -0.000 0.000 0.331 361 G HA3 0.069 4.029 3.960 -0.000 0.000 0.331 361 G C -2.941 171.927 174.900 -0.053 0.000 1.324 361 G CA -1.020 44.060 45.100 -0.033 0.000 0.984 361 G HN 0.401 nan 8.290 nan 0.000 0.586 362 P HA 0.523 nan 4.420 nan 0.000 0.276 362 P C 0.041 177.254 177.300 -0.146 0.000 1.261 362 P CA 0.171 63.219 63.100 -0.087 0.000 0.800 362 P CB 1.323 32.974 31.700 -0.081 0.000 1.066 363 T N -2.954 111.514 114.554 -0.144 0.000 2.907 363 T HA 0.547 4.897 4.350 -0.000 0.000 0.290 363 T C 0.047 174.628 174.700 -0.198 0.000 1.066 363 T CA -0.704 61.263 62.100 -0.222 0.000 1.012 363 T CB 0.268 69.085 68.868 -0.086 0.000 1.184 363 T HN 0.060 nan 8.240 nan 0.000 0.522 364 F N 1.358 121.318 119.950 0.017 0.000 2.607 364 F HA 0.406 4.932 4.527 -0.000 0.000 0.374 364 F C 1.920 177.754 175.800 0.057 0.000 1.104 364 F CA 1.295 59.311 58.000 0.027 0.000 1.296 364 F CB -0.349 38.665 39.000 0.023 0.000 1.085 364 F HN 1.125 nan 8.300 nan 0.000 0.584 365 G N 1.767 110.727 108.800 0.268 0.000 2.176 365 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 365 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 365 G C -0.017 174.975 174.900 0.153 0.000 0.979 365 G CA 0.056 45.280 45.100 0.207 0.000 0.641 365 G HN 0.734 nan 8.290 nan 0.000 0.530 366 D N 0.165 120.635 120.400 0.116 0.000 2.494 366 D HA 0.441 5.081 4.640 -0.000 0.000 0.217 366 D C 1.201 177.560 176.300 0.099 0.000 1.153 366 D CA -0.925 53.125 54.000 0.082 0.000 0.954 366 D CB -0.396 40.416 40.800 0.019 0.000 1.034 366 D HN 0.079 nan 8.370 nan 0.000 0.518 367 F N 4.189 124.148 119.950 0.014 0.000 2.069 367 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 367 F C 1.747 177.549 175.800 0.004 0.000 1.113 367 F CA 1.404 59.410 58.000 0.010 0.000 1.214 367 F CB 0.063 39.068 39.000 0.008 0.000 0.978 367 F HN 0.167 nan 8.300 nan 0.000 0.474 368 K N 0.605 120.763 120.400 -0.403 0.000 2.063 368 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 368 K C 2.413 178.832 176.600 -0.302 0.000 1.048 368 K CA 1.364 57.375 56.287 -0.460 0.000 0.928 368 K CB -1.552 30.831 32.500 -0.195 0.000 0.713 368 K HN 0.486 nan 8.250 nan 0.000 0.442 369 G N 0.801 109.500 108.800 -0.168 0.000 2.408 369 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.217 369 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.217 369 G C 1.705 176.538 174.900 -0.111 0.000 1.150 369 G CA 1.019 46.051 45.100 -0.113 0.000 0.776 369 G HN 0.377 nan 8.290 nan 0.000 0.542 370 A N 0.840 123.594 122.820 -0.109 0.000 1.873 370 A HA 0.010 4.329 4.320 -0.000 0.000 0.215 370 A C 2.196 179.725 177.584 -0.092 0.000 1.186 370 A CA 2.074 54.074 52.037 -0.062 0.000 0.616 370 A CB -0.436 18.573 19.000 0.014 0.000 0.823 370 A HN 0.385 nan 8.150 nan 0.000 0.442 371 K N -0.896 119.373 120.400 -0.219 0.000 2.032 371 K HA -0.269 4.050 4.320 -0.000 0.000 0.209 371 K C 2.279 178.802 176.600 -0.127 0.000 1.048 371 K CA 1.914 58.073 56.287 -0.213 0.000 0.927 371 K CB -0.164 32.055 32.500 -0.469 0.000 0.712 371 K HN 0.395 nan 8.250 nan 0.000 0.441 372 Q N 0.833 120.551 119.800 -0.138 0.000 2.084 372 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 372 Q C 1.930 177.908 176.000 -0.036 0.000 0.978 372 Q CA 1.320 57.077 55.803 -0.077 0.000 0.844 372 Q CB -0.321 28.368 28.738 -0.081 0.000 0.898 372 Q HN 0.365 nan 8.270 nan 0.000 0.426 373 L N 0.012 121.213 121.223 -0.037 0.000 2.093 373 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 373 L C 2.004 178.879 176.870 0.008 0.000 1.085 373 L CA 2.111 56.945 54.840 -0.009 0.000 0.755 373 L CB -1.143 40.911 42.059 -0.009 0.000 0.904 373 L HN 0.225 nan 8.230 nan 0.000 0.435 374 A N -0.505 122.317 122.820 0.002 0.000 1.902 374 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 374 A C 2.265 179.850 177.584 0.002 0.000 1.181 374 A CA 2.050 54.095 52.037 0.013 0.000 0.623 374 A CB -0.851 18.156 19.000 0.011 0.000 0.818 374 A HN 0.497 nan 8.150 nan 0.000 0.443 375 L N -0.667 120.566 121.223 0.016 0.000 2.093 375 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 375 L C 1.913 178.859 176.870 0.126 0.000 1.085 375 L CA 1.252 56.137 54.840 0.075 0.000 0.755 375 L CB -0.568 41.552 42.059 0.101 0.000 0.904 375 L HN 0.276 nan 8.230 nan 0.000 0.435 376 D N 0.118 120.563 120.400 0.074 0.000 2.219 376 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 376 D C 2.254 178.579 176.300 0.042 0.000 0.970 376 D CA 1.100 55.144 54.000 0.073 0.000 0.851 376 D CB 0.062 40.883 40.800 0.035 0.000 0.943 376 D HN 0.317 nan 8.370 nan 0.000 0.488 377 I N 0.990 121.566 120.570 0.010 0.000 2.233 377 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 377 I C 2.461 178.517 176.117 -0.101 0.000 1.093 377 I CA 0.869 62.155 61.300 -0.024 0.000 1.380 377 I CB -0.160 37.850 38.000 0.016 0.000 1.067 377 I HN -0.083 nan 8.210 nan 0.000 0.413 378 A N 0.240 122.965 122.820 -0.158 0.000 1.908 378 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 378 A C 1.855 179.188 177.584 -0.418 0.000 1.181 378 A CA 1.791 53.619 52.037 -0.349 0.000 0.627 378 A CB -0.913 17.783 19.000 -0.508 0.000 0.818 378 A HN 0.509 nan 8.150 nan 0.000 0.445 379 Y N -1.743 118.512 120.300 -0.075 0.000 2.457 379 Y HA 0.305 4.854 4.550 -0.000 0.000 0.263 379 Y C 0.719 176.588 175.900 -0.052 0.000 1.164 379 Y CA -0.030 58.031 58.100 -0.067 0.000 1.274 379 Y CB 0.011 38.437 38.460 -0.057 0.000 1.097 379 Y HN 0.270 nan 8.280 nan 0.000 0.523 380 R N 1.143 121.669 120.500 0.044 0.000 3.333 380 R HA -0.232 4.108 4.340 -0.000 0.000 0.256 380 R C -0.127 176.199 176.300 0.043 0.000 1.010 380 R CA 0.540 56.652 56.100 0.020 0.000 0.680 380 R CB -1.158 29.141 30.300 -0.002 0.000 1.102 380 R HN 0.276 nan 8.270 nan 0.000 0.440 381 K N 1.082 121.517 120.400 0.058 0.000 2.253 381 K HA 0.369 4.688 4.320 -0.000 0.000 0.277 381 K C 0.474 177.087 176.600 0.021 0.000 1.053 381 K CA 0.683 56.994 56.287 0.040 0.000 0.892 381 K CB 1.078 33.605 32.500 0.045 0.000 1.102 381 K HN 0.429 nan 8.250 nan 0.000 0.469 382 G N 3.105 111.912 108.800 0.012 0.000 2.758 382 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 382 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 382 G C 0.354 175.260 174.900 0.009 0.000 1.389 382 G CA -0.141 44.963 45.100 0.007 0.000 0.845 382 G HN 0.785 nan 8.290 nan 0.000 0.572 383 E N -0.490 119.715 120.200 0.007 0.000 2.058 383 E HA -0.163 4.186 4.350 -0.000 0.000 0.194 383 E C 2.692 179.300 176.600 0.013 0.000 0.997 383 E CA 1.498 57.903 56.400 0.009 0.000 0.801 383 E CB -0.052 29.653 29.700 0.008 0.000 0.746 383 E HN 0.433 nan 8.360 nan 0.000 0.450 384 L N 0.718 121.950 121.223 0.015 0.000 1.994 384 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 384 L C 2.248 179.133 176.870 0.025 0.000 1.071 384 L CA 2.345 57.198 54.840 0.021 0.000 0.745 384 L CB -1.085 40.984 42.059 0.017 0.000 0.892 384 L HN 0.131 nan 8.230 nan 0.000 0.431 385 G N -0.756 108.056 108.800 0.020 0.000 2.440 385 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 385 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 385 G C 1.536 176.443 174.900 0.011 0.000 1.154 385 G CA 0.874 45.986 45.100 0.020 0.000 0.767 385 G HN 0.483 nan 8.290 nan 0.000 0.552 386 N N -0.005 118.699 118.700 0.007 0.000 2.166 386 N HA -0.070 4.669 4.740 -0.000 0.000 0.186 386 N C 2.124 177.633 175.510 -0.002 0.000 1.019 386 N CA 1.002 54.050 53.050 -0.004 0.000 0.856 386 N CB -0.108 38.378 38.487 -0.002 0.000 0.993 386 N HN 0.274 nan 8.380 nan 0.000 0.426 387 L N 1.309 122.539 121.223 0.012 0.000 2.044 387 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 387 L C 2.179 179.069 176.870 0.033 0.000 1.075 387 L CA 1.453 56.303 54.840 0.017 0.000 0.747 387 L CB -0.790 41.284 42.059 0.024 0.000 0.903 387 L HN 0.032 nan 8.230 nan 0.000 0.435 388 A N -0.540 122.312 122.820 0.053 0.000 2.015 388 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 388 A C 2.296 179.970 177.584 0.150 0.000 1.163 388 A CA 1.287 53.383 52.037 0.099 0.000 0.646 388 A CB -1.002 18.060 19.000 0.103 0.000 0.806 388 A HN 0.534 nan 8.150 nan 0.000 0.448 389 A N -0.581 122.264 122.820 0.041 0.000 2.209 389 A HA 0.007 4.326 4.320 -0.000 0.000 0.212 389 A C 1.603 179.121 177.584 -0.110 0.000 1.158 389 A CA 1.148 53.124 52.037 -0.102 0.000 0.742 389 A CB -0.185 18.734 19.000 -0.135 0.000 0.790 389 A HN 0.423 nan 8.150 nan 0.000 0.472 390 E N -0.682 119.527 120.200 0.015 0.000 2.447 390 E HA 0.295 4.645 4.350 -0.000 0.000 0.195 390 E C 1.023 177.680 176.600 0.094 0.000 1.028 390 E CA 0.763 57.173 56.400 0.017 0.000 0.876 390 E CB -0.033 29.664 29.700 -0.005 0.000 0.885 390 E HN 0.713 nan 8.360 nan 0.000 0.500 391 G N 0.657 109.585 108.800 0.213 0.000 2.662 391 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.686 391 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.686 391 G C 0.825 175.691 174.900 -0.057 0.000 1.271 391 G CA -0.239 44.950 45.100 0.148 0.000 0.816 391 G HN 0.203 nan 8.290 nan 0.000 0.608 392 V N -0.763 119.053 119.914 -0.163 0.000 2.407 392 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 392 V C 2.648 178.529 176.094 -0.355 0.000 1.055 392 V CA 2.861 64.955 62.300 -0.344 0.000 1.049 392 V CB -0.730 30.894 31.823 -0.331 0.000 0.662 392 V HN 1.033 nan 8.190 nan 0.000 0.455 393 K N 1.198 121.369 120.400 -0.381 0.000 2.009 393 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 393 K C 2.245 178.727 176.600 -0.196 0.000 1.049 393 K CA 1.972 58.006 56.287 -0.423 0.000 0.929 393 K CB -0.597 31.493 32.500 -0.682 0.000 0.714 393 K HN 0.559 nan 8.250 nan 0.000 0.440 394 A N 1.305 124.037 122.820 -0.147 0.000 1.930 394 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 394 A C 2.147 179.688 177.584 -0.073 0.000 1.175 394 A CA 1.604 53.593 52.037 -0.081 0.000 0.627 394 A CB -0.502 18.466 19.000 -0.052 0.000 0.815 394 A HN 0.582 nan 8.150 nan 0.000 0.443 395 M N -0.272 119.268 119.600 -0.100 0.000 2.132 395 M HA -0.064 4.415 4.480 -0.000 0.000 0.263 395 M C 2.169 178.423 176.300 -0.078 0.000 1.065 395 M CA 1.699 56.951 55.300 -0.079 0.000 1.122 395 M CB -0.197 32.348 32.600 -0.092 0.000 1.365 395 M HN 0.362 nan 8.290 nan 0.000 0.411 396 A N -0.045 122.677 122.820 -0.164 0.000 2.019 396 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 396 A C 1.827 179.398 177.584 -0.021 0.000 1.164 396 A CA 1.890 53.871 52.037 -0.094 0.000 0.644 396 A CB -0.728 18.187 19.000 -0.141 0.000 0.805 396 A HN 0.700 nan 8.150 nan 0.000 0.449 397 E N -0.663 119.521 120.200 -0.028 0.000 2.152 397 E HA -0.093 4.256 4.350 -0.000 0.000 0.192 397 E C 1.926 178.522 176.600 -0.007 0.000 0.983 397 E CA 0.678 57.071 56.400 -0.011 0.000 0.818 397 E CB 0.051 29.739 29.700 -0.020 0.000 0.758 397 E HN 0.305 nan 8.360 nan 0.000 0.467 398 K N 0.289 120.684 120.400 -0.007 0.000 2.076 398 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 398 K C 1.878 178.488 176.600 0.015 0.000 1.051 398 K CA 0.745 57.033 56.287 0.003 0.000 0.949 398 K CB 0.136 32.638 32.500 0.003 0.000 0.726 398 K HN 0.195 nan 8.250 nan 0.000 0.443 399 L N -0.713 120.525 121.223 0.025 0.000 2.529 399 L HA 0.164 4.504 4.340 -0.000 0.000 0.223 399 L C 0.933 177.823 176.870 0.033 0.000 1.113 399 L CA 0.405 55.269 54.840 0.040 0.000 0.861 399 L CB -0.047 42.054 42.059 0.070 0.000 1.012 399 L HN 0.265 nan 8.230 nan 0.000 0.461 400 G N 1.375 110.188 108.800 0.021 0.000 2.225 400 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 400 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 400 G C 0.502 175.406 174.900 0.008 0.000 1.060 400 G CA 0.502 45.617 45.100 0.024 0.000 0.833 400 G HN 0.393 nan 8.290 nan 0.000 0.498 401 T N -3.296 111.221 114.554 -0.061 0.000 3.248 401 T HA 0.351 4.701 4.350 -0.000 0.000 0.271 401 T C 1.283 175.774 174.700 -0.348 0.000 1.005 401 T CA 0.739 62.642 62.100 -0.329 0.000 0.902 401 T CB 0.260 68.775 68.868 -0.588 0.000 1.102 401 T HN 0.596 nan 8.240 nan 0.000 0.548 402 H N 3.204 122.180 119.070 -0.155 0.000 2.390 402 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 402 H C 1.962 177.253 175.328 -0.063 0.000 1.106 402 H CA 2.497 58.495 56.048 -0.083 0.000 1.297 402 H CB -0.135 29.608 29.762 -0.031 0.000 1.375 402 H HN 0.542 nan 8.280 nan 0.000 0.509 403 D N 0.205 120.530 120.400 -0.124 0.000 2.265 403 D HA -0.207 4.433 4.640 -0.000 0.000 0.208 403 D C 0.943 177.258 176.300 0.025 0.000 0.977 403 D CA 1.130 55.101 54.000 -0.049 0.000 0.871 403 D CB -0.571 40.309 40.800 0.133 0.000 0.925 403 D HN 0.710 nan 8.370 nan 0.000 0.485 404 F N -1.037 118.896 119.950 -0.028 0.000 2.805 404 F HA 0.675 5.201 4.527 -0.000 0.000 0.317 404 F C 0.092 175.965 175.800 0.122 0.000 1.146 404 F CA -1.450 56.552 58.000 0.003 0.000 1.265 404 F CB 0.027 39.033 39.000 0.010 0.000 0.992 404 F HN -0.014 nan 8.300 nan 0.000 0.511 405 A N 2.569 125.361 122.820 -0.046 0.000 2.391 405 A HA 0.549 4.868 4.320 -0.000 0.000 0.316 405 A C 0.155 177.666 177.584 -0.121 0.000 1.381 405 A CA -0.451 51.569 52.037 -0.028 0.000 0.998 405 A CB -0.098 18.849 19.000 -0.087 0.000 1.147 405 A HN 0.340 nan 8.150 nan 0.000 0.545 406 M N 4.561 124.089 119.600 -0.121 0.000 2.497 406 M HA 0.259 4.738 4.480 -0.000 0.000 0.336 406 M C -0.138 175.984 176.300 -0.298 0.000 1.378 406 M CA 0.340 55.396 55.300 -0.407 0.000 1.375 406 M CB -1.403 30.835 32.600 -0.603 0.000 1.337 406 M HN 0.908 nan 8.290 nan 0.000 0.461 407 H N -0.166 118.695 119.070 -0.348 0.000 2.981 407 H HA 0.838 5.394 4.556 -0.000 0.000 0.327 407 H C -1.872 173.357 175.328 -0.166 0.000 1.342 407 H CA -1.119 54.800 56.048 -0.215 0.000 1.123 407 H CB 1.280 30.975 29.762 -0.112 0.000 1.851 407 H HN 0.124 nan 8.280 nan 0.000 0.531 408 V N 1.907 121.796 119.914 -0.041 0.000 2.569 408 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 408 V C -0.136 176.098 176.094 0.232 0.000 1.044 408 V CA -0.988 61.307 62.300 -0.010 0.000 0.874 408 V CB 1.318 33.160 31.823 0.031 0.000 1.002 408 V HN 0.989 nan 8.190 nan 0.000 0.424 409 K N 3.222 123.770 120.400 0.248 0.000 3.274 409 K HA -0.252 4.068 4.320 -0.000 0.000 0.300 409 K C 1.117 177.982 176.600 0.442 0.000 1.230 409 K CA 0.887 57.354 56.287 0.299 0.000 0.884 409 K CB -1.447 31.135 32.500 0.137 0.000 1.242 409 K HN 1.673 nan 8.250 nan 0.000 0.467 410 G N -0.292 108.776 108.800 0.446 0.000 2.217 410 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 410 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 410 G C -0.180 174.801 174.900 0.136 0.000 0.990 410 G CA 0.159 45.314 45.100 0.092 0.000 0.627 410 G HN 0.205 nan 8.290 nan 0.000 0.522 411 L N 1.729 123.107 121.223 0.259 0.000 2.275 411 L HA 0.800 5.140 4.340 -0.000 0.000 0.288 411 L C 0.197 177.160 176.870 0.155 0.000 1.046 411 L CA -1.281 53.681 54.840 0.202 0.000 0.805 411 L CB 1.019 43.236 42.059 0.264 0.000 1.193 411 L HN 0.177 nan 8.230 nan 0.000 0.426 412 E N 2.806 123.046 120.200 0.067 0.000 2.414 412 E HA 0.137 4.487 4.350 -0.000 0.000 0.263 412 E C -0.408 176.186 176.600 -0.009 0.000 1.000 412 E CA 0.098 56.504 56.400 0.009 0.000 0.914 412 E CB 0.510 30.177 29.700 -0.055 0.000 0.948 412 E HN 0.425 nan 8.360 nan 0.000 0.444 413 V N 3.567 123.393 119.914 -0.148 0.000 2.763 413 V HA -0.017 4.102 4.120 -0.000 0.000 0.306 413 V C 0.909 177.037 176.094 0.057 0.000 1.059 413 V CA 0.334 62.461 62.300 -0.289 0.000 1.138 413 V CB 0.732 32.071 31.823 -0.808 0.000 0.940 413 V HN 0.872 nan 8.190 nan 0.000 0.489 414 S N 3.975 119.826 115.700 0.252 0.000 2.397 414 S HA 0.326 4.796 4.470 -0.000 0.000 0.261 414 S C 1.419 176.262 174.600 0.405 0.000 1.187 414 S CA 0.082 58.523 58.200 0.403 0.000 1.023 414 S CB 0.224 63.780 63.200 0.592 0.000 1.103 414 S HN 0.992 nan 8.310 nan 0.000 0.474 415 G N -0.518 108.366 108.800 0.140 0.000 3.186 415 G HA2 0.252 4.212 3.960 -0.000 0.000 0.214 415 G HA3 0.252 4.212 3.960 -0.000 0.000 0.214 415 G C -0.807 173.860 174.900 -0.388 0.000 1.222 415 G CA 0.113 45.087 45.100 -0.210 0.000 0.921 415 G HN 0.501 nan 8.290 nan 0.000 0.504 416 Y N -0.470 120.171 120.300 0.568 0.000 2.329 416 Y HA 0.342 4.892 4.550 -0.000 0.000 0.328 416 Y C -0.211 175.995 175.900 0.509 0.000 0.992 416 Y CA -1.746 56.652 58.100 0.497 0.000 1.151 416 Y CB 1.185 39.939 38.460 0.490 0.000 1.150 416 Y HN -0.117 nan 8.280 nan 0.000 0.450 417 N N 2.127 121.094 118.700 0.445 0.000 2.411 417 N HA 0.146 4.886 4.740 -0.000 0.000 0.259 417 N C -0.616 174.842 175.510 -0.086 0.000 1.103 417 N CA -0.081 53.173 53.050 0.341 0.000 0.954 417 N CB 0.843 39.544 38.487 0.357 0.000 1.085 417 N HN 0.721 nan 8.380 nan 0.000 0.485 418 C N 4.254 122.935 119.300 -1.032 0.000 2.470 418 C HA 0.207 4.667 4.460 -0.000 0.000 0.311 418 C C 1.525 175.848 174.990 -1.112 0.000 1.387 418 C CA -0.652 57.732 59.018 -1.056 0.000 1.783 418 C CB -2.171 24.898 27.740 -1.117 0.000 2.416 418 C HN 0.720 nan 8.230 nan 0.000 0.558 419 Y N 1.938 121.752 120.300 -0.811 0.000 2.151 419 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 419 Y C 2.054 177.733 175.900 -0.368 0.000 1.166 419 Y CA 1.893 59.740 58.100 -0.421 0.000 1.163 419 Y CB -0.207 38.168 38.460 -0.141 0.000 0.974 419 Y HN 0.500 nan 8.280 nan 0.000 0.511 420 I N -4.450 115.902 120.570 -0.363 0.000 3.856 420 I HA 0.233 4.402 4.170 -0.000 0.000 0.330 420 I C -1.186 174.470 176.117 -0.769 0.000 1.546 420 I CA -0.241 60.740 61.300 -0.532 0.000 1.132 420 I CB -0.008 37.627 38.000 -0.609 0.000 1.157 420 I HN -0.175 nan 8.210 nan 0.000 0.440 421 Y N 2.631 122.808 120.300 -0.205 0.000 2.749 421 Y HA 0.465 5.015 4.550 -0.000 0.000 0.343 421 Y C -1.873 173.927 175.900 -0.166 0.000 1.015 421 Y CA -2.576 55.422 58.100 -0.170 0.000 1.270 421 Y CB 0.745 39.084 38.460 -0.200 0.000 1.097 421 Y HN -0.019 nan 8.280 nan 0.000 0.571 422 P HA -0.202 nan 4.420 nan 0.000 0.217 422 P C 1.339 178.689 177.300 0.084 0.000 1.150 422 P CA 1.852 64.912 63.100 -0.067 0.000 0.832 422 P CB 0.426 31.825 31.700 -0.503 0.000 0.787 423 A N -0.374 122.492 122.820 0.078 0.000 1.898 423 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 423 A C 2.318 179.962 177.584 0.100 0.000 1.181 423 A CA 2.122 54.228 52.037 0.114 0.000 0.620 423 A CB -1.376 17.738 19.000 0.190 0.000 0.819 423 A HN 0.117 nan 8.150 nan 0.000 0.442 424 M N -0.009 119.645 119.600 0.090 0.000 2.229 424 M HA 0.084 4.563 4.480 -0.000 0.000 0.264 424 M C 2.063 178.468 176.300 0.176 0.000 1.063 424 M CA 1.386 56.721 55.300 0.057 0.000 1.114 424 M CB -0.506 32.106 32.600 0.019 0.000 1.387 424 M HN 0.371 nan 8.290 nan 0.000 0.420 425 A N -0.348 122.595 122.820 0.205 0.000 1.930 425 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 425 A C 2.080 179.892 177.584 0.381 0.000 1.175 425 A CA 1.584 53.819 52.037 0.331 0.000 0.627 425 A CB -1.035 18.057 19.000 0.154 0.000 0.815 425 A HN 0.536 nan 8.150 nan 0.000 0.443 426 L N -0.321 121.118 121.223 0.359 0.000 2.093 426 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 426 L C 2.638 179.567 176.870 0.099 0.000 1.085 426 L CA 1.980 56.981 54.840 0.269 0.000 0.755 426 L CB -0.631 41.476 42.059 0.080 0.000 0.904 426 L HN 0.334 nan 8.230 nan 0.000 0.435 427 A N -1.277 121.593 122.820 0.084 0.000 1.877 427 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 427 A C 2.132 179.776 177.584 0.101 0.000 1.186 427 A CA 1.927 53.982 52.037 0.029 0.000 0.620 427 A CB -1.077 17.897 19.000 -0.043 0.000 0.822 427 A HN 0.519 nan 8.150 nan 0.000 0.443 428 Y N 0.097 120.531 120.300 0.223 0.000 2.200 428 Y HA -0.031 4.519 4.550 -0.000 0.000 0.290 428 Y C 2.786 178.789 175.900 0.172 0.000 1.137 428 Y CA 0.823 59.069 58.100 0.242 0.000 1.163 428 Y CB -0.960 37.687 38.460 0.312 0.000 0.988 428 Y HN 0.315 nan 8.280 nan 0.000 0.518 429 G N -1.413 107.578 108.800 0.318 0.000 2.422 429 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 429 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 429 G C 1.583 176.574 174.900 0.152 0.000 1.140 429 G CA 1.577 46.808 45.100 0.218 0.000 0.775 429 G HN 0.457 nan 8.290 nan 0.000 0.545 430 T N -2.231 112.366 114.554 0.072 0.000 3.060 430 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 430 T C 1.291 176.113 174.700 0.203 0.000 1.079 430 T CA 0.543 62.660 62.100 0.028 0.000 1.013 430 T CB 0.051 68.623 68.868 -0.495 0.000 0.975 430 T HN 0.144 nan 8.240 nan 0.000 0.518 431 S N 1.157 116.992 115.700 0.226 0.000 2.626 431 S HA 0.309 4.778 4.470 -0.000 0.000 0.303 431 S C 1.796 176.570 174.600 0.289 0.000 1.256 431 S CA 0.147 58.523 58.200 0.293 0.000 1.069 431 S CB 0.022 63.407 63.200 0.309 0.000 0.807 431 S HN 0.610 nan 8.310 nan 0.000 0.500 432 A N 5.193 128.196 122.820 0.305 0.000 1.986 432 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 432 A C 1.776 179.623 177.584 0.439 0.000 1.171 432 A CA 1.884 54.062 52.037 0.235 0.000 0.640 432 A CB -0.768 18.178 19.000 -0.089 0.000 0.811 432 A HN 1.149 nan 8.150 nan 0.000 0.451 433 I N -5.204 115.651 120.570 0.475 0.000 4.018 433 I HA 0.555 4.725 4.170 -0.000 0.000 0.337 433 I C 0.797 177.290 176.117 0.626 0.000 1.327 433 I CA 0.200 61.894 61.300 0.655 0.000 1.100 433 I CB -0.194 38.089 38.000 0.472 0.000 1.025 433 I HN 0.415 nan 8.210 nan 0.000 0.396 434 G N 1.522 110.577 108.800 0.425 0.000 2.479 434 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 434 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 434 G C -0.289 174.826 174.900 0.359 0.000 1.295 434 G CA -0.596 44.717 45.100 0.354 0.000 0.922 434 G HN 0.718 nan 8.290 nan 0.000 0.582 435 A N 0.948 123.962 122.820 0.323 0.000 2.563 435 A HA 0.490 4.810 4.320 -0.000 0.000 0.256 435 A C 0.446 178.346 177.584 0.525 0.000 1.056 435 A CA 1.713 54.001 52.037 0.418 0.000 0.775 435 A CB -0.336 18.776 19.000 0.187 0.000 0.973 435 A HN 2.055 nan 8.150 nan 0.000 0.516 436 H N 1.545 120.955 119.070 0.566 0.000 3.094 436 H HA 0.204 4.760 4.556 -0.000 0.000 0.335 436 H C 0.440 175.935 175.328 0.278 0.000 1.254 436 H CA -0.440 55.871 56.048 0.438 0.000 1.240 436 H CB 0.937 30.838 29.762 0.232 0.000 1.936 436 H HN 0.803 nan 8.280 nan 0.000 0.536 437 H N 2.547 122.002 119.070 0.642 0.000 2.548 437 H HA 0.090 4.646 4.556 -0.000 0.000 0.265 437 H C 1.569 177.004 175.328 0.178 0.000 0.969 437 H CA 0.460 56.655 56.048 0.244 0.000 1.155 437 H CB 0.542 30.542 29.762 0.396 0.000 1.394 437 H HN 0.473 nan 8.280 nan 0.000 0.570 438 K N 1.857 121.968 120.400 -0.481 0.000 2.032 438 K HA -0.246 4.074 4.320 -0.000 0.000 0.218 438 K C 1.420 177.956 176.600 -0.105 0.000 1.054 438 K CA 2.456 58.444 56.287 -0.497 0.000 0.941 438 K CB -0.011 31.956 32.500 -0.889 0.000 0.720 438 K HN 0.467 nan 8.250 nan 0.000 0.449 439 E N -0.736 119.465 120.200 0.001 0.000 2.358 439 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 439 E C -0.171 176.513 176.600 0.139 0.000 1.010 439 E CA 0.435 56.919 56.400 0.141 0.000 0.856 439 E CB 0.407 30.267 29.700 0.266 0.000 0.795 439 E HN 0.386 nan 8.360 nan 0.000 0.504 440 A N 1.029 123.915 122.820 0.110 0.000 2.562 440 A HA 0.196 4.516 4.320 -0.000 0.000 0.297 440 A C -2.044 175.605 177.584 0.108 0.000 1.100 440 A CA -0.664 51.427 52.037 0.091 0.000 0.914 440 A CB -0.243 18.780 19.000 0.040 0.000 1.490 440 A HN 0.290 nan 8.150 nan 0.000 0.391 441 W N 4.326 125.571 121.300 -0.093 0.000 1.978 441 W HA 0.464 5.124 4.660 -0.000 0.000 0.373 441 W C 0.154 176.568 176.519 -0.176 0.000 0.813 441 W CA -0.438 56.802 57.345 -0.175 0.000 1.571 441 W CB 1.142 30.498 29.460 -0.173 0.000 1.746 441 W HN 0.509 nan 8.180 nan 0.000 0.302 442 V N 7.196 126.974 119.914 -0.227 0.000 3.608 442 V HA -0.063 4.057 4.120 -0.000 0.000 0.269 442 V C 1.673 177.631 176.094 -0.227 0.000 1.245 442 V CA 1.152 63.331 62.300 -0.202 0.000 1.138 442 V CB -0.357 31.421 31.823 -0.076 0.000 0.841 442 V HN 0.617 nan 8.190 nan 0.000 0.451 443 I N 0.496 120.788 120.570 -0.462 0.000 2.361 443 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 443 I C 2.359 178.237 176.117 -0.397 0.000 1.133 443 I CA 1.736 62.771 61.300 -0.441 0.000 1.413 443 I CB -0.178 37.522 38.000 -0.499 0.000 1.073 443 I HN 0.367 nan 8.210 nan 0.000 0.424 444 A N 0.119 122.508 122.820 -0.717 0.000 1.930 444 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 444 A C 2.080 179.527 177.584 -0.227 0.000 1.175 444 A CA 1.573 53.276 52.037 -0.556 0.000 0.627 444 A CB -1.278 16.899 19.000 -1.371 0.000 0.815 444 A HN 0.790 nan 8.150 nan 0.000 0.443 445 W N 0.762 121.825 121.300 -0.396 0.000 2.418 445 W HA -0.070 4.590 4.660 -0.000 0.000 0.292 445 W C 1.860 178.312 176.519 -0.112 0.000 1.213 445 W CA 1.590 58.803 57.345 -0.219 0.000 1.283 445 W CB -0.013 29.324 29.460 -0.205 0.000 1.119 445 W HN 0.434 nan 8.180 nan 0.000 0.542 446 E N 0.207 120.375 120.200 -0.054 0.000 2.110 446 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 446 E C 2.113 178.688 176.600 -0.041 0.000 0.988 446 E CA 1.750 58.073 56.400 -0.128 0.000 0.804 446 E CB -0.327 29.430 29.700 0.095 0.000 0.745 446 E HN 0.385 nan 8.360 nan 0.000 0.458 447 I N -0.935 119.590 120.570 -0.075 0.000 2.235 447 I HA -0.078 4.092 4.170 -0.000 0.000 0.241 447 I C 1.788 177.906 176.117 0.002 0.000 1.085 447 I CA 1.135 62.413 61.300 -0.037 0.000 1.378 447 I CB 0.119 38.048 38.000 -0.119 0.000 1.076 447 I HN 0.328 nan 8.210 nan 0.000 0.415 448 G N 0.621 109.400 108.800 -0.036 0.000 2.192 448 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.193 448 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.193 448 G C 0.447 175.361 174.900 0.023 0.000 0.999 448 G CA 0.154 45.229 45.100 -0.043 0.000 0.659 448 G HN 0.472 nan 8.290 nan 0.000 0.503 449 T N -2.116 112.507 114.554 0.116 0.000 2.864 449 T HA 0.976 5.325 4.350 -0.000 0.000 0.289 449 T C -0.305 174.465 174.700 0.117 0.000 1.082 449 T CA 0.244 62.451 62.100 0.177 0.000 1.009 449 T CB 2.341 71.398 68.868 0.315 0.000 1.234 449 T HN 1.878 nan 8.240 nan 0.000 0.526 450 A N 0.461 123.234 122.820 -0.077 0.000 2.539 450 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 450 A C -2.448 174.782 177.584 -0.591 0.000 1.073 450 A CA -1.882 49.819 52.037 -0.559 0.000 0.700 450 A CB 1.108 19.925 19.000 -0.304 0.000 1.296 450 A HN 0.556 nan 8.150 nan 0.000 0.405 451 P HA -0.163 nan 4.420 nan 0.000 0.216 451 P C 1.401 178.753 177.300 0.086 0.000 1.153 451 P CA 1.052 63.999 63.100 -0.253 0.000 0.858 451 P CB 0.113 31.697 31.700 -0.193 0.000 0.789 452 I N -0.723 119.895 120.570 0.080 0.000 2.530 452 I HA -0.173 3.997 4.170 -0.000 0.000 0.257 452 I C 0.961 177.170 176.117 0.153 0.000 1.179 452 I CA 1.087 62.533 61.300 0.243 0.000 1.440 452 I CB -0.659 37.426 38.000 0.142 0.000 1.087 452 I HN -0.021 nan 8.210 nan 0.000 0.440 463 K N 6.715 126.573 120.400 -0.904 0.000 2.378 463 K HA 0.594 4.914 4.320 -0.000 0.000 0.252 463 K C -1.022 175.031 176.600 -0.913 0.000 0.931 463 K CA -0.970 54.925 56.287 -0.654 0.000 0.794 463 K CB 2.221 34.521 32.500 -0.334 0.000 1.181 463 K HN 0.605 nan 8.250 nan 0.000 0.425 464 I N 2.035 122.269 120.570 -0.560 0.000 2.533 464 I HA -0.011 4.159 4.170 -0.000 0.000 0.284 464 I C 0.414 176.372 176.117 -0.265 0.000 1.109 464 I CA 0.481 61.543 61.300 -0.397 0.000 1.412 464 I CB 0.828 38.702 38.000 -0.211 0.000 1.396 464 I HN 0.432 nan 8.210 nan 0.000 0.543 465 S N 5.563 121.086 115.700 -0.296 0.000 2.541 465 S HA 0.499 4.969 4.470 -0.000 0.000 0.280 465 S C -0.557 173.908 174.600 -0.225 0.000 1.112 465 S CA -0.534 57.572 58.200 -0.156 0.000 0.925 465 S CB 0.945 64.057 63.200 -0.147 0.000 1.067 465 S HN 0.447 nan 8.310 nan 0.000 0.479 466 Y N 1.289 121.585 120.300 -0.007 0.000 2.720 466 Y HA 0.345 4.894 4.550 -0.000 0.000 0.268 466 Y C 0.722 176.631 175.900 0.014 0.000 1.142 466 Y CA -0.802 57.309 58.100 0.019 0.000 1.193 466 Y CB 0.255 38.729 38.460 0.023 0.000 1.176 466 Y HN 0.631 nan 8.280 nan 0.000 0.542 467 D N 1.956 122.423 120.400 0.112 0.000 2.583 467 D HA -0.077 4.563 4.640 -0.000 0.000 0.232 467 D C -1.624 174.728 176.300 0.086 0.000 1.128 467 D CA -0.674 53.375 54.000 0.081 0.000 0.859 467 D CB 1.465 42.297 40.800 0.054 0.000 1.169 467 D HN 0.127 nan 8.370 nan 0.000 0.481 468 P HA -0.148 nan 4.420 nan 0.000 0.218 468 P C 1.500 178.824 177.300 0.040 0.000 1.146 468 P CA 0.453 63.578 63.100 0.041 0.000 0.813 468 P CB 0.154 31.868 31.700 0.023 0.000 0.778 469 I N -0.346 120.262 120.570 0.064 0.000 2.567 469 I HA -0.213 3.957 4.170 -0.000 0.000 0.257 469 I C 1.750 177.925 176.117 0.096 0.000 1.184 469 I CA 1.534 62.879 61.300 0.074 0.000 1.451 469 I CB -0.496 37.576 38.000 0.121 0.000 1.089 469 I HN -0.149 nan 8.210 nan 0.000 0.441 470 K N 0.135 120.628 120.400 0.156 0.000 2.147 470 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 470 K C 2.124 178.742 176.600 0.030 0.000 1.049 470 K CA 1.308 57.700 56.287 0.174 0.000 0.936 470 K CB -0.299 32.322 32.500 0.202 0.000 0.722 470 K HN 0.418 nan 8.250 nan 0.000 0.446 471 A N 1.199 124.033 122.820 0.023 0.000 1.929 471 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 471 A C 2.151 179.710 177.584 -0.041 0.000 1.176 471 A CA 1.388 53.442 52.037 0.029 0.000 0.628 471 A CB -0.363 18.654 19.000 0.029 0.000 0.816 471 A HN 0.222 nan 8.150 nan 0.000 0.444 472 Q N 0.243 119.989 119.800 -0.091 0.000 2.084 472 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 472 Q C 1.982 177.846 176.000 -0.227 0.000 0.978 472 Q CA 2.332 58.040 55.803 -0.159 0.000 0.844 472 Q CB -0.271 28.388 28.738 -0.132 0.000 0.898 472 Q HN 0.467 nan 8.270 nan 0.000 0.426 473 K N -0.709 119.519 120.400 -0.287 0.000 2.057 473 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 473 K C 1.831 178.217 176.600 -0.356 0.000 1.049 473 K CA 1.479 57.468 56.287 -0.498 0.000 0.931 473 K CB -0.583 31.309 32.500 -1.014 0.000 0.714 473 K HN 0.171 nan 8.250 nan 0.000 0.440 474 V N -0.143 119.647 119.914 -0.207 0.000 2.343 474 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 474 V C 2.216 178.262 176.094 -0.080 0.000 1.051 474 V CA 1.656 63.900 62.300 -0.092 0.000 1.036 474 V CB -0.237 31.594 31.823 0.012 0.000 0.654 474 V HN 0.142 nan 8.190 nan 0.000 0.451 475 V N -0.190 119.650 119.914 -0.123 0.000 2.358 475 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 475 V C 2.380 178.304 176.094 -0.284 0.000 1.047 475 V CA 1.992 64.145 62.300 -0.245 0.000 1.035 475 V CB -0.605 30.997 31.823 -0.369 0.000 0.658 475 V HN 0.627 nan 8.190 nan 0.000 0.452 476 E N 0.020 120.048 120.200 -0.286 0.000 2.077 476 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 476 E C 2.219 178.697 176.600 -0.203 0.000 0.989 476 E CA 1.244 57.457 56.400 -0.311 0.000 0.800 476 E CB -0.182 29.317 29.700 -0.336 0.000 0.746 476 E HN 0.503 nan 8.360 nan 0.000 0.452 477 L N 0.728 121.866 121.223 -0.141 0.000 2.109 477 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 477 L C 2.531 179.417 176.870 0.027 0.000 1.086 477 L CA 1.046 55.885 54.840 -0.003 0.000 0.760 477 L CB -0.335 41.721 42.059 -0.007 0.000 0.910 477 L HN 0.138 nan 8.230 nan 0.000 0.437 478 Q N -0.118 119.647 119.800 -0.058 0.000 2.124 478 Q HA -0.209 4.130 4.340 -0.000 0.000 0.202 478 Q C 2.344 178.289 176.000 -0.092 0.000 0.977 478 Q CA 1.382 57.138 55.803 -0.077 0.000 0.850 478 Q CB -0.091 28.459 28.738 -0.313 0.000 0.901 478 Q HN 0.448 nan 8.270 nan 0.000 0.429 479 R N 0.084 120.492 120.500 -0.154 0.000 2.096 479 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 479 R C 2.174 178.512 176.300 0.064 0.000 1.127 479 R CA 1.096 57.166 56.100 -0.049 0.000 0.968 479 R CB -0.151 30.104 30.300 -0.075 0.000 0.861 479 R HN 0.240 nan 8.270 nan 0.000 0.440 480 L N -0.563 120.694 121.223 0.056 0.000 2.130 480 L HA -0.016 4.324 4.340 -0.000 0.000 0.200 480 L C 2.436 179.453 176.870 0.245 0.000 1.075 480 L CA 1.079 55.954 54.840 0.059 0.000 0.768 480 L CB -0.258 41.769 42.059 -0.053 0.000 0.933 480 L HN 0.047 nan 8.230 nan 0.000 0.451 481 R N -0.074 120.618 120.500 0.320 0.000 2.093 481 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 481 R C 2.110 178.573 176.300 0.271 0.000 1.101 481 R CA 1.151 57.463 56.100 0.354 0.000 0.979 481 R CB -0.452 30.020 30.300 0.288 0.000 0.877 481 R HN 0.353 nan 8.270 nan 0.000 0.441 482 G N -0.810 108.159 108.800 0.283 0.000 2.838 482 G HA2 0.073 4.033 3.960 -0.000 0.000 0.210 482 G HA3 0.073 4.033 3.960 -0.000 0.000 0.210 482 G C 0.819 175.948 174.900 0.380 0.000 1.153 482 G CA 0.443 45.763 45.100 0.367 0.000 0.778 482 G HN 0.398 nan 8.290 nan 0.000 0.539 483 G N 0.564 109.537 108.800 0.289 0.000 2.495 483 G HA2 0.232 4.191 3.960 -0.000 0.000 0.219 483 G HA3 0.232 4.191 3.960 -0.000 0.000 0.219 483 G C 1.362 176.298 174.900 0.060 0.000 1.875 483 G CA 0.486 45.713 45.100 0.212 0.000 0.757 483 G HN 0.171 nan 8.290 nan 0.000 0.682 484 L N 0.285 121.475 121.223 -0.056 0.000 1.991 484 L HA -0.102 4.238 4.340 -0.000 0.000 0.221 484 L C 2.622 179.238 176.870 -0.423 0.000 1.079 484 L CA 2.180 56.835 54.840 -0.308 0.000 0.778 484 L CB -0.793 40.970 42.059 -0.494 0.000 0.893 484 L HN 0.225 nan 8.230 nan 0.000 0.437 485 F N -0.350 119.519 119.950 -0.135 0.000 2.365 485 F HA -0.097 4.429 4.527 -0.000 0.000 0.300 485 F C 2.372 178.134 175.800 -0.064 0.000 1.090 485 F CA 0.944 58.855 58.000 -0.148 0.000 1.408 485 F CB -0.410 38.526 39.000 -0.106 0.000 1.060 485 F HN 0.201 nan 8.300 nan 0.000 0.534 486 E N -0.771 119.501 120.200 0.119 0.000 2.442 486 E HA 0.034 4.383 4.350 -0.000 0.000 0.195 486 E C 1.916 178.568 176.600 0.086 0.000 1.030 486 E CA 0.584 57.056 56.400 0.119 0.000 0.869 486 E CB -0.109 29.677 29.700 0.143 0.000 0.857 486 E HN 0.455 nan 8.360 nan 0.000 0.505 487 M N -0.561 119.052 119.600 0.022 0.000 2.567 487 M HA 0.131 4.611 4.480 -0.000 0.000 0.261 487 M C 1.968 178.253 176.300 -0.026 0.000 1.180 487 M CA 0.222 55.538 55.300 0.027 0.000 1.143 487 M CB 0.295 32.904 32.600 0.014 0.000 1.319 487 M HN -0.007 nan 8.290 nan 0.000 0.490 488 L N -0.529 120.589 121.223 -0.175 0.000 1.994 488 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 488 L C 1.454 178.280 176.870 -0.074 0.000 1.071 488 L CA 0.926 55.572 54.840 -0.324 0.000 0.745 488 L CB -0.597 40.936 42.059 -0.877 0.000 0.892 488 L HN 0.211 nan 8.230 nan 0.000 0.431 489 T N -0.753 113.818 114.554 0.028 0.000 2.823 489 T HA 0.698 5.048 4.350 -0.000 0.000 0.279 489 T C -0.698 174.048 174.700 0.077 0.000 0.998 489 T CA -0.370 61.744 62.100 0.023 0.000 0.994 489 T CB 1.483 70.415 68.868 0.107 0.000 0.960 489 T HN 0.236 nan 8.240 nan 0.000 0.448 490 A N 2.742 125.623 122.820 0.102 0.000 2.532 490 A HA 0.661 4.981 4.320 -0.000 0.000 0.290 490 A C -0.024 177.719 177.584 0.264 0.000 1.143 490 A CA -0.805 51.369 52.037 0.229 0.000 0.728 490 A CB 0.934 20.108 19.000 0.289 0.000 1.317 490 A HN 1.033 nan 8.150 nan 0.000 0.414 491 C N 0.934 120.353 119.300 0.198 0.000 2.648 491 C HA 0.358 4.818 4.460 -0.000 0.000 0.419 491 C C 1.987 176.860 174.990 -0.195 0.000 1.352 491 C CA 0.122 59.174 59.018 0.056 0.000 1.816 491 C CB -0.632 27.158 27.740 0.084 0.000 2.598 491 C HN 0.901 nan 8.230 nan 0.000 0.598 492 R N 4.451 124.670 120.500 -0.468 0.000 2.299 492 R HA 0.074 4.414 4.340 -0.000 0.000 0.197 492 R C 1.305 177.331 176.300 -0.456 0.000 0.971 492 R CA 0.774 56.267 56.100 -1.011 0.000 1.030 492 R CB -0.216 29.605 30.300 -0.798 0.000 0.932 492 R HN 0.771 nan 8.270 nan 0.000 0.477 493 L N 0.812 121.861 121.223 -0.290 0.000 2.083 493 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 493 L C -0.546 176.114 176.870 -0.349 0.000 1.083 493 L CA 1.068 55.711 54.840 -0.329 0.000 0.752 493 L CB -1.336 40.548 42.059 -0.291 0.000 0.899 493 L HN 0.153 nan 8.230 nan 0.000 0.433 494 P HA -0.224 nan 4.420 nan 0.000 0.216 494 P C 1.166 178.463 177.300 -0.006 0.000 1.150 494 P CA 1.394 64.437 63.100 -0.095 0.000 0.837 494 P CB -0.078 31.664 31.700 0.070 0.000 0.786 495 W N 0.032 121.267 121.300 -0.108 0.000 2.408 495 W HA -0.122 4.538 4.660 -0.000 0.000 0.311 495 W C 1.847 178.314 176.519 -0.085 0.000 1.190 495 W CA 1.055 58.383 57.345 -0.028 0.000 1.321 495 W CB -1.186 28.283 29.460 0.014 0.000 1.143 495 W HN -0.331 nan 8.180 nan 0.000 0.501 496 V N 1.645 121.164 119.914 -0.659 0.000 2.295 496 V HA -0.277 3.842 4.120 -0.000 0.000 0.246 496 V C 2.431 178.240 176.094 -0.474 0.000 1.049 496 V CA 2.451 64.274 62.300 -0.794 0.000 1.024 496 V CB -0.793 30.695 31.823 -0.558 0.000 0.648 496 V HN 0.173 nan 8.190 nan 0.000 0.447 497 E N 0.184 120.111 120.200 -0.456 0.000 2.075 497 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 497 E C 2.003 178.428 176.600 -0.292 0.000 0.969 497 E CA 1.585 57.723 56.400 -0.436 0.000 0.815 497 E CB -0.142 29.021 29.700 -0.896 0.000 0.776 497 E HN 0.625 nan 8.360 nan 0.000 0.457 498 V N -2.810 116.941 119.914 -0.271 0.000 3.578 498 V HA 0.507 4.627 4.120 -0.000 0.000 0.290 498 V C 1.115 177.201 176.094 -0.014 0.000 1.376 498 V CA 0.469 62.708 62.300 -0.102 0.000 1.083 498 V CB 0.057 31.843 31.823 -0.063 0.000 0.911 498 V HN 0.259 nan 8.190 nan 0.000 0.433 499 G N 0.907 109.691 108.800 -0.027 0.000 2.147 499 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 499 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 499 G C -0.211 174.818 174.900 0.215 0.000 1.005 499 G CA 0.299 45.447 45.100 0.081 0.000 0.713 499 G HN 0.822 nan 8.290 nan 0.000 0.515 500 L N 1.604 122.971 121.223 0.241 0.000 2.540 500 L HA 0.517 4.856 4.340 -0.000 0.000 0.276 500 L C 1.115 178.271 176.870 0.478 0.000 1.212 500 L CA 0.799 55.827 54.840 0.313 0.000 0.893 500 L CB 0.815 43.033 42.059 0.266 0.000 1.138 500 L HN 0.466 nan 8.230 nan 0.000 0.491 501 S N 4.322 120.302 115.700 0.466 0.000 2.537 501 S HA 0.067 4.537 4.470 -0.000 0.000 0.286 501 S C 1.421 176.296 174.600 0.459 0.000 1.299 501 S CA -0.325 58.110 58.200 0.392 0.000 1.067 501 S CB 0.151 63.474 63.200 0.206 0.000 0.864 501 S HN 0.707 nan 8.310 nan 0.000 0.494 502 L N 3.488 124.908 121.223 0.329 0.000 2.265 502 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 502 L C 1.753 178.953 176.870 0.549 0.000 1.117 502 L CA 0.876 55.942 54.840 0.378 0.000 0.782 502 L CB -0.360 41.694 42.059 -0.007 0.000 0.914 502 L HN 0.643 nan 8.230 nan 0.000 0.441 503 D N -0.790 119.808 120.400 0.330 0.000 2.310 503 D HA -0.179 4.461 4.640 -0.000 0.000 0.212 503 D C 1.877 178.175 176.300 -0.003 0.000 0.965 503 D CA 1.083 55.208 54.000 0.208 0.000 0.879 503 D CB 0.036 40.876 40.800 0.067 0.000 0.921 503 D HN 0.347 nan 8.370 nan 0.000 0.510 504 Y N -0.242 120.037 120.300 -0.034 0.000 2.293 504 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 504 Y C 1.951 177.652 175.900 -0.332 0.000 1.137 504 Y CA 0.815 58.769 58.100 -0.243 0.000 1.202 504 Y CB -0.520 37.693 38.460 -0.410 0.000 0.990 504 Y HN 0.059 nan 8.280 nan 0.000 0.537 505 Y N -0.026 120.382 120.300 0.181 0.000 2.114 505 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 505 Y C -0.145 175.698 175.900 -0.094 0.000 1.143 505 Y CA 1.272 59.411 58.100 0.065 0.000 1.135 505 Y CB -2.161 36.231 38.460 -0.113 0.000 0.980 505 Y HN 0.083 nan 8.280 nan 0.000 0.499 506 P HA -0.101 nan 4.420 nan 0.000 0.221 506 P C 0.793 177.988 177.300 -0.175 0.000 1.150 506 P CA 1.590 64.494 63.100 -0.328 0.000 0.800 506 P CB 0.074 31.361 31.700 -0.688 0.000 0.787 507 K N -0.246 120.069 120.400 -0.142 0.000 2.057 507 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 507 K C 2.316 178.844 176.600 -0.119 0.000 1.050 507 K CA 0.950 57.165 56.287 -0.121 0.000 0.935 507 K CB -0.542 31.887 32.500 -0.118 0.000 0.715 507 K HN 0.123 nan 8.250 nan 0.000 0.439 508 L N 0.633 121.788 121.223 -0.113 0.000 2.056 508 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 508 L C 2.356 179.106 176.870 -0.200 0.000 1.078 508 L CA 0.505 55.214 54.840 -0.218 0.000 0.749 508 L CB -0.353 41.503 42.059 -0.339 0.000 0.901 508 L HN 0.172 nan 8.230 nan 0.000 0.433 509 L N 0.398 121.614 121.223 -0.012 0.000 2.042 509 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 509 L C 2.535 179.355 176.870 -0.082 0.000 1.076 509 L CA 1.893 56.731 54.840 -0.004 0.000 0.749 509 L CB -0.624 41.398 42.059 -0.062 0.000 0.893 509 L HN 0.166 nan 8.230 nan 0.000 0.432 510 K N -0.883 119.480 120.400 -0.062 0.000 2.025 510 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 510 K C 2.002 178.523 176.600 -0.131 0.000 1.049 510 K CA 1.257 57.507 56.287 -0.061 0.000 0.933 510 K CB -0.267 32.194 32.500 -0.066 0.000 0.714 510 K HN 0.392 nan 8.250 nan 0.000 0.438 511 A N 1.013 123.735 122.820 -0.164 0.000 1.978 511 A HA -0.120 4.199 4.320 -0.000 0.000 0.220 511 A C 2.016 179.456 177.584 -0.241 0.000 1.170 511 A CA 1.417 53.335 52.037 -0.198 0.000 0.636 511 A CB -0.471 18.410 19.000 -0.198 0.000 0.810 511 A HN 0.366 nan 8.150 nan 0.000 0.448 512 I N -0.654 119.758 120.570 -0.262 0.000 2.296 512 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 512 I C 2.732 178.684 176.117 -0.276 0.000 1.087 512 I CA 1.726 62.849 61.300 -0.296 0.000 1.393 512 I CB -0.312 37.476 38.000 -0.353 0.000 1.093 512 I HN 0.489 nan 8.210 nan 0.000 0.421 513 T N -2.271 112.112 114.554 -0.286 0.000 3.067 513 T HA 0.214 4.564 4.350 -0.000 0.000 0.257 513 T C 1.645 176.327 174.700 -0.030 0.000 1.105 513 T CA 0.599 62.543 62.100 -0.260 0.000 1.104 513 T CB 0.424 68.961 68.868 -0.552 0.000 0.925 513 T HN 0.528 nan 8.240 nan 0.000 0.498 514 G N 0.675 109.423 108.800 -0.086 0.000 2.179 514 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 514 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 514 G C 0.033 174.938 174.900 0.008 0.000 0.977 514 G CA 0.079 45.143 45.100 -0.060 0.000 0.641 514 G HN 0.766 nan 8.290 nan 0.000 0.533 515 V N 1.577 121.522 119.914 0.051 0.000 2.394 515 V HA 0.556 4.675 4.120 -0.000 0.000 0.282 515 V C 0.751 176.836 176.094 -0.015 0.000 1.031 515 V CA -0.172 62.150 62.300 0.037 0.000 0.881 515 V CB 1.631 33.545 31.823 0.153 0.000 0.982 515 V HN 0.260 nan 8.190 nan 0.000 0.451 516 T N 5.319 119.802 114.554 -0.119 0.000 2.814 516 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 516 T C -0.754 173.800 174.700 -0.245 0.000 0.956 516 T CA 0.390 62.417 62.100 -0.121 0.000 1.123 516 T CB -0.090 68.706 68.868 -0.121 0.000 0.902 516 T HN 0.465 nan 8.240 nan 0.000 0.528 517 Y N 2.308 122.512 120.300 -0.160 0.000 2.338 517 Y HA 0.341 4.891 4.550 -0.000 0.000 0.328 517 Y C 1.252 176.968 175.900 -0.307 0.000 0.965 517 Y CA -0.995 56.981 58.100 -0.206 0.000 1.208 517 Y CB 1.083 39.405 38.460 -0.229 0.000 1.132 517 Y HN 0.710 nan 8.280 nan 0.000 0.469 518 T N -2.240 112.227 114.554 -0.146 0.000 2.788 518 T HA 0.017 4.366 4.350 -0.000 0.000 0.287 518 T C 0.950 175.474 174.700 -0.293 0.000 1.007 518 T CA -0.433 61.550 62.100 -0.195 0.000 1.005 518 T CB 0.655 69.462 68.868 -0.102 0.000 1.012 518 T HN 0.765 nan 8.240 nan 0.000 0.530 519 W N 0.056 121.202 121.300 -0.257 0.000 2.374 519 W HA 0.007 4.667 4.660 -0.000 0.000 0.288 519 W C 2.328 178.347 176.519 -0.833 0.000 1.218 519 W CA 1.096 58.095 57.345 -0.577 0.000 1.245 519 W CB -0.242 28.919 29.460 -0.498 0.000 1.126 519 W HN 0.939 nan 8.180 nan 0.000 0.545 520 D N -0.030 120.273 120.400 -0.162 0.000 2.144 520 D HA -0.208 4.431 4.640 -0.000 0.000 0.200 520 D C 1.626 177.896 176.300 -0.050 0.000 0.978 520 D CA 1.740 55.716 54.000 -0.040 0.000 0.833 520 D CB -0.098 40.727 40.800 0.040 0.000 0.961 520 D HN -0.093 nan 8.370 nan 0.000 0.470 521 D N -0.097 120.258 120.400 -0.075 0.000 2.104 521 D HA -0.142 4.497 4.640 -0.000 0.000 0.194 521 D C 2.238 178.552 176.300 0.023 0.000 0.994 521 D CA 0.739 54.727 54.000 -0.019 0.000 0.830 521 D CB -0.287 40.504 40.800 -0.015 0.000 0.959 521 D HN 0.338 nan 8.370 nan 0.000 0.452 522 L N -0.190 120.990 121.223 -0.072 0.000 2.093 522 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 522 L C 2.488 179.389 176.870 0.053 0.000 1.085 522 L CA 0.791 55.584 54.840 -0.080 0.000 0.755 522 L CB -0.458 41.453 42.059 -0.246 0.000 0.904 522 L HN 0.048 nan 8.230 nan 0.000 0.435 523 Y N 0.297 120.652 120.300 0.091 0.000 2.181 523 Y HA -0.241 4.308 4.550 -0.000 0.000 0.288 523 Y C 2.639 178.547 175.900 0.013 0.000 1.146 523 Y CA 0.948 59.074 58.100 0.043 0.000 1.164 523 Y CB -0.751 37.729 38.460 0.033 0.000 0.982 523 Y HN 0.118 nan 8.280 nan 0.000 0.515 524 K N 0.104 120.603 120.400 0.164 0.000 2.057 524 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 524 K C 2.300 178.934 176.600 0.058 0.000 1.050 524 K CA 1.070 57.407 56.287 0.084 0.000 0.935 524 K CB -0.227 32.300 32.500 0.045 0.000 0.715 524 K HN 0.186 nan 8.250 nan 0.000 0.439 525 A N 0.877 123.729 122.820 0.052 0.000 1.902 525 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 525 A C 2.304 179.938 177.584 0.082 0.000 1.181 525 A CA 1.825 53.876 52.037 0.024 0.000 0.623 525 A CB -0.814 18.206 19.000 0.033 0.000 0.818 525 A HN 0.457 nan 8.150 nan 0.000 0.443 526 A N -0.012 122.881 122.820 0.122 0.000 1.898 526 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 526 A C 1.758 179.490 177.584 0.246 0.000 1.181 526 A CA 1.827 53.978 52.037 0.190 0.000 0.620 526 A CB -0.546 18.549 19.000 0.158 0.000 0.819 526 A HN 0.438 nan 8.150 nan 0.000 0.442 527 D N -0.765 119.723 120.400 0.146 0.000 2.144 527 D HA -0.139 4.500 4.640 -0.000 0.000 0.200 527 D C 2.049 178.471 176.300 0.204 0.000 0.978 527 D CA 1.213 55.297 54.000 0.139 0.000 0.833 527 D CB -0.332 40.494 40.800 0.044 0.000 0.961 527 D HN 0.554 nan 8.370 nan 0.000 0.470 528 R N 0.790 121.374 120.500 0.140 0.000 2.073 528 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 528 R C 2.059 178.479 176.300 0.201 0.000 1.134 528 R CA 1.136 57.304 56.100 0.113 0.000 0.952 528 R CB -0.334 29.962 30.300 -0.008 0.000 0.850 528 R HN -0.001 nan 8.270 nan 0.000 0.433 529 V N 0.415 120.474 119.914 0.241 0.000 2.332 529 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 529 V C 2.009 178.202 176.094 0.165 0.000 1.055 529 V CA 1.791 64.234 62.300 0.239 0.000 1.038 529 V CB -0.690 31.267 31.823 0.223 0.000 0.651 529 V HN 0.355 nan 8.190 nan 0.000 0.450 530 Y N 0.463 120.870 120.300 0.178 0.000 2.181 530 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 530 Y C 2.854 178.970 175.900 0.360 0.000 1.146 530 Y CA 1.881 60.143 58.100 0.270 0.000 1.164 530 Y CB -0.383 38.242 38.460 0.275 0.000 0.982 530 Y HN 0.169 nan 8.280 nan 0.000 0.515 531 S N -0.463 115.503 115.700 0.443 0.000 2.406 531 S HA -0.108 4.361 4.470 -0.000 0.000 0.228 531 S C 1.907 176.530 174.600 0.039 0.000 1.020 531 S CA 0.797 59.169 58.200 0.287 0.000 0.965 531 S CB -0.426 62.931 63.200 0.261 0.000 0.798 531 S HN 0.299 nan 8.310 nan 0.000 0.488 532 L N 1.903 123.153 121.223 0.045 0.000 2.072 532 L HA 0.124 4.464 4.340 -0.000 0.000 0.205 532 L C 1.798 178.695 176.870 0.045 0.000 1.079 532 L CA 1.535 56.350 54.840 -0.042 0.000 0.752 532 L CB -0.593 41.501 42.059 0.059 0.000 0.906 532 L HN 0.267 nan 8.230 nan 0.000 0.436 533 I N -0.734 119.850 120.570 0.023 0.000 2.179 533 I HA -0.281 3.888 4.170 -0.000 0.000 0.242 533 I C 2.630 178.919 176.117 0.288 0.000 1.088 533 I CA 1.172 62.501 61.300 0.048 0.000 1.357 533 I CB -0.318 37.578 38.000 -0.174 0.000 1.051 533 I HN 0.272 nan 8.210 nan 0.000 0.409 534 R N 1.767 122.335 120.500 0.113 0.000 2.096 534 R HA -0.128 4.211 4.340 -0.000 0.000 0.235 534 R C 2.130 178.330 176.300 -0.166 0.000 1.127 534 R CA 1.896 57.930 56.100 -0.110 0.000 0.968 534 R CB -0.805 29.190 30.300 -0.508 0.000 0.861 534 R HN 0.355 nan 8.270 nan 0.000 0.440 535 A N -0.710 122.062 122.820 -0.081 0.000 1.933 535 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 535 A C 2.166 179.914 177.584 0.273 0.000 1.175 535 A CA 1.464 53.502 52.037 0.002 0.000 0.628 535 A CB -0.935 18.021 19.000 -0.073 0.000 0.814 535 A HN 0.568 nan 8.150 nan 0.000 0.444 536 Y N -1.189 119.295 120.300 0.305 0.000 2.145 536 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 536 Y C 2.085 178.059 175.900 0.123 0.000 1.145 536 Y CA 1.933 60.212 58.100 0.299 0.000 1.148 536 Y CB -0.409 38.224 38.460 0.289 0.000 0.981 536 Y HN 0.446 nan 8.280 nan 0.000 0.507 537 W N -0.566 120.726 121.300 -0.013 0.000 2.355 537 W HA -0.208 4.452 4.660 -0.000 0.000 0.309 537 W C 2.504 178.757 176.519 -0.443 0.000 1.206 537 W CA 2.192 59.398 57.345 -0.233 0.000 1.284 537 W CB -0.974 28.143 29.460 -0.573 0.000 1.145 537 W HN -0.159 nan 8.180 nan 0.000 0.502 538 V N 0.597 120.258 119.914 -0.421 0.000 2.295 538 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 538 V C 2.536 178.582 176.094 -0.080 0.000 1.049 538 V CA 2.118 64.183 62.300 -0.391 0.000 1.024 538 V CB -0.915 30.624 31.823 -0.474 0.000 0.648 538 V HN 0.178 nan 8.190 nan 0.000 0.447 539 R N 0.133 120.579 120.500 -0.091 0.000 2.073 539 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 539 R C 2.215 178.429 176.300 -0.144 0.000 1.134 539 R CA 1.666 57.698 56.100 -0.114 0.000 0.952 539 R CB -0.222 29.965 30.300 -0.188 0.000 0.850 539 R HN 0.491 nan 8.270 nan 0.000 0.433 540 E N -0.247 119.829 120.200 -0.207 0.000 2.208 540 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 540 E C 1.475 178.107 176.600 0.053 0.000 0.988 540 E CA 0.732 57.029 56.400 -0.172 0.000 0.828 540 E CB -0.159 29.346 29.700 -0.326 0.000 0.763 540 E HN 0.290 nan 8.360 nan 0.000 0.478 541 F N 0.851 120.795 119.950 -0.010 0.000 2.773 541 F HA 0.086 4.613 4.527 -0.000 0.000 0.304 541 F C 0.723 176.570 175.800 0.078 0.000 1.129 541 F CA -0.089 57.984 58.000 0.122 0.000 1.378 541 F CB -0.524 38.691 39.000 0.360 0.000 1.095 541 F HN -0.072 nan 8.300 nan 0.000 0.565 542 N N 0.701 119.484 118.700 0.137 0.000 2.740 542 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 542 N C 1.176 176.750 175.510 0.107 0.000 1.062 542 N CA 0.965 54.056 53.050 0.069 0.000 0.704 542 N CB -1.071 37.433 38.487 0.029 0.000 0.968 542 N HN 0.598 nan 8.380 nan 0.000 0.547 543 G N -0.746 108.135 108.800 0.134 0.000 2.245 543 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.264 543 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.264 543 G C 0.181 175.210 174.900 0.216 0.000 0.985 543 G CA 0.710 45.889 45.100 0.132 0.000 0.625 543 G HN 0.685 nan 8.290 nan 0.000 0.536 544 K N 0.524 121.091 120.400 0.279 0.000 2.228 544 K HA 0.377 4.697 4.320 -0.000 0.000 0.284 544 K C -0.688 176.195 176.600 0.471 0.000 1.088 544 K CA -0.553 55.916 56.287 0.302 0.000 0.941 544 K CB -0.081 32.577 32.500 0.263 0.000 1.158 544 K HN 0.342 nan 8.250 nan 0.000 0.438 545 W N 4.176 125.526 121.300 0.084 0.000 3.645 545 W HA 0.108 4.768 4.660 -0.000 0.000 0.285 545 W C -1.839 174.685 176.519 0.008 0.000 1.266 545 W CA -0.684 56.678 57.345 0.028 0.000 1.212 545 W CB 1.455 30.903 29.460 -0.020 0.000 1.306 545 W HN 0.741 nan 8.180 nan 0.000 0.552 546 D N 1.744 122.017 120.400 -0.212 0.000 2.677 546 D HA 0.278 4.918 4.640 -0.000 0.000 0.298 546 D C 1.068 177.287 176.300 -0.137 0.000 1.250 546 D CA -0.557 53.404 54.000 -0.065 0.000 0.888 546 D CB 0.552 41.335 40.800 -0.028 0.000 1.397 546 D HN 0.398 nan 8.370 nan 0.000 0.461 547 R N 0.104 120.641 120.500 0.061 0.000 2.200 547 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 547 R C 0.848 177.243 176.300 0.158 0.000 1.127 547 R CA 0.816 57.065 56.100 0.247 0.000 0.989 547 R CB -0.494 30.049 30.300 0.405 0.000 0.869 547 R HN 0.271 nan 8.270 nan 0.000 0.459 548 K N 0.316 120.653 120.400 -0.105 0.000 2.362 548 K HA -0.022 4.298 4.320 -0.000 0.000 0.200 548 K C 1.864 178.392 176.600 -0.120 0.000 1.046 548 K CA 0.755 56.899 56.287 -0.239 0.000 0.952 548 K CB -0.091 32.207 32.500 -0.337 0.000 0.753 548 K HN 0.278 nan 8.250 nan 0.000 0.466 549 M N 1.093 120.520 119.600 -0.288 0.000 2.296 549 M HA -0.098 4.382 4.480 -0.000 0.000 0.265 549 M C 0.533 176.745 176.300 -0.148 0.000 1.064 549 M CA 1.313 56.338 55.300 -0.459 0.000 1.109 549 M CB -0.492 31.320 32.600 -1.312 0.000 1.396 549 M HN 0.007 nan 8.290 nan 0.000 0.430 550 D N -1.077 119.377 120.400 0.091 0.000 2.388 550 D HA 0.083 4.723 4.640 -0.000 0.000 0.221 550 D C -0.428 176.086 176.300 0.357 0.000 1.133 550 D CA 0.075 54.217 54.000 0.236 0.000 0.831 550 D CB 0.058 41.057 40.800 0.332 0.000 0.962 550 D HN 0.144 nan 8.370 nan 0.000 0.502 551 Y N 1.755 122.121 120.300 0.109 0.000 2.320 551 Y HA 0.273 4.822 4.550 -0.000 0.000 0.324 551 Y C -1.707 174.193 175.900 0.000 0.000 1.190 551 Y CA -2.369 55.793 58.100 0.103 0.000 1.215 551 Y CB 0.889 39.376 38.460 0.045 0.000 1.221 551 Y HN -0.086 nan 8.280 nan 0.000 0.486 552 P HA 0.178 nan 4.420 nan 0.000 0.279 552 P C -2.726 174.498 177.300 -0.127 0.000 1.276 552 P CA -1.786 61.273 63.100 -0.067 0.000 0.801 552 P CB 0.279 31.989 31.700 0.017 0.000 1.127 553 P HA -0.028 nan 4.420 nan 0.000 0.266 553 P C 0.933 178.073 177.300 -0.267 0.000 1.195 553 P CA 0.156 62.934 63.100 -0.536 0.000 0.768 553 P CB 0.751 31.892 31.700 -0.931 0.000 0.838 554 K N 3.676 124.020 120.400 -0.093 0.000 2.173 554 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 554 K C 2.092 178.765 176.600 0.121 0.000 1.046 554 K CA 1.621 57.991 56.287 0.139 0.000 0.929 554 K CB -0.141 32.393 32.500 0.058 0.000 0.720 554 K HN 0.306 nan 8.250 nan 0.000 0.453 555 R N -0.278 120.169 120.500 -0.088 0.000 2.127 555 R HA -0.162 4.177 4.340 -0.000 0.000 0.238 555 R C 1.514 177.911 176.300 0.162 0.000 1.134 555 R CA 1.781 57.886 56.100 0.008 0.000 0.975 555 R CB -0.288 29.965 30.300 -0.078 0.000 0.865 555 R HN 0.325 nan 8.270 nan 0.000 0.447 556 W N -0.314 120.893 121.300 -0.155 0.000 2.699 556 W HA 0.012 4.672 4.660 -0.000 0.000 0.249 556 W C 1.108 177.507 176.519 -0.200 0.000 1.280 556 W CA 0.327 57.506 57.345 -0.277 0.000 1.345 556 W CB -0.390 28.732 29.460 -0.564 0.000 1.128 556 W HN 0.158 nan 8.180 nan 0.000 0.642 557 F N -0.444 119.693 119.950 0.310 0.000 2.500 557 F HA -0.027 4.500 4.527 -0.000 0.000 0.285 557 F C 2.565 178.399 175.800 0.056 0.000 1.088 557 F CA 1.665 59.814 58.000 0.248 0.000 1.432 557 F CB -1.039 38.068 39.000 0.178 0.000 1.131 557 F HN -0.244 nan 8.300 nan 0.000 0.582 558 T N -1.622 113.076 114.554 0.241 0.000 3.088 558 T HA 0.086 4.436 4.350 -0.000 0.000 0.259 558 T C 0.398 175.104 174.700 0.009 0.000 1.122 558 T CA 0.311 62.461 62.100 0.083 0.000 1.095 558 T CB -0.537 68.401 68.868 0.116 0.000 0.930 558 T HN 0.458 nan 8.240 nan 0.000 0.508 559 E N -0.906 119.347 120.200 0.088 0.000 2.458 559 E HA 0.676 5.025 4.350 -0.000 0.000 0.278 559 E C -0.557 176.092 176.600 0.080 0.000 1.004 559 E CA -1.492 54.943 56.400 0.058 0.000 0.823 559 E CB 1.171 30.932 29.700 0.101 0.000 1.396 559 E HN 0.157 nan 8.360 nan 0.000 0.463 560 G N 0.109 108.811 108.800 -0.163 0.000 3.022 560 G HA2 0.490 4.450 3.960 -0.000 0.000 0.284 560 G HA3 0.490 4.450 3.960 -0.000 0.000 0.284 560 G C -0.786 173.607 174.900 -0.845 0.000 1.375 560 G CA -1.288 43.517 45.100 -0.492 0.000 0.902 560 G HN 0.411 nan 8.290 nan 0.000 0.538 561 L N 0.780 121.558 121.223 -0.740 0.000 2.543 561 L HA 0.039 4.379 4.340 -0.000 0.000 0.285 561 L C 1.369 178.098 176.870 -0.235 0.000 1.236 561 L CA -0.025 54.562 54.840 -0.422 0.000 0.871 561 L CB 0.532 42.476 42.059 -0.192 0.000 1.121 561 L HN 0.463 nan 8.230 nan 0.000 0.501 562 K N 1.231 121.557 120.400 -0.122 0.000 2.393 562 K HA 0.128 4.448 4.320 -0.000 0.000 0.193 562 K C 0.280 176.848 176.600 -0.054 0.000 1.026 562 K CA 0.264 56.511 56.287 -0.067 0.000 1.064 562 K CB 0.406 32.897 32.500 -0.015 0.000 0.833 562 K HN 0.763 nan 8.250 nan 0.000 0.521 563 S N -1.551 114.107 115.700 -0.069 0.000 2.643 563 S HA 0.683 5.153 4.470 -0.000 0.000 0.270 563 S C 0.066 174.508 174.600 -0.264 0.000 1.166 563 S CA -0.211 57.920 58.200 -0.115 0.000 0.815 563 S CB 1.964 65.129 63.200 -0.058 0.000 1.139 563 S HN 0.337 nan 8.310 nan 0.000 0.472 564 G N 0.935 109.549 108.800 -0.310 0.000 2.760 564 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.246 564 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.246 564 G C -2.327 172.300 174.900 -0.454 0.000 1.359 564 G CA -0.162 44.638 45.100 -0.500 0.000 0.861 564 G HN 0.747 nan 8.290 nan 0.000 0.541 565 P HA 0.022 nan 4.420 nan 0.000 0.222 565 P C 0.920 177.878 177.300 -0.571 0.000 1.147 565 P CA 1.371 64.189 63.100 -0.471 0.000 0.790 565 P CB -0.019 31.387 31.700 -0.489 0.000 0.780 566 H N -1.637 117.208 119.070 -0.375 0.000 2.505 566 H HA 0.172 4.728 4.556 -0.000 0.000 0.286 566 H C 0.575 175.749 175.328 -0.255 0.000 1.072 566 H CA -0.375 55.507 56.048 -0.276 0.000 1.141 566 H CB 0.034 29.636 29.762 -0.267 0.000 1.550 566 H HN 0.185 nan 8.280 nan 0.000 0.547 567 K N 0.686 120.971 120.400 -0.192 0.000 2.511 567 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 567 K C 1.077 177.616 176.600 -0.101 0.000 1.008 567 K CA 1.178 57.372 56.287 -0.155 0.000 1.050 567 K CB 0.181 32.591 32.500 -0.150 0.000 0.889 567 K HN 0.504 nan 8.250 nan 0.000 0.484 568 G N 2.827 111.569 108.800 -0.098 0.000 2.253 568 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 568 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 568 G C -0.276 174.645 174.900 0.035 0.000 0.998 568 G CA 0.313 45.391 45.100 -0.037 0.000 0.621 568 G HN 0.699 nan 8.290 nan 0.000 0.524 569 E N 0.882 121.071 120.200 -0.018 0.000 2.373 569 E HA 0.521 4.870 4.350 -0.000 0.000 0.267 569 E C 0.529 177.142 176.600 0.021 0.000 1.032 569 E CA 0.406 56.791 56.400 -0.026 0.000 0.889 569 E CB 0.402 30.079 29.700 -0.038 0.000 0.984 569 E HN 0.867 nan 8.360 nan 0.000 0.425 570 H N -0.118 118.977 119.070 0.042 0.000 2.947 570 H HA 0.494 5.049 4.556 -0.000 0.000 0.290 570 H C -1.074 174.325 175.328 0.118 0.000 1.430 570 H CA -1.013 55.107 56.048 0.120 0.000 1.189 570 H CB 0.361 30.226 29.762 0.173 0.000 1.875 570 H HN 0.247 nan 8.280 nan 0.000 0.568 571 L N 0.562 121.907 121.223 0.203 0.000 2.399 571 L HA 0.253 4.593 4.340 -0.000 0.000 0.266 571 L C 0.035 177.201 176.870 0.493 0.000 1.114 571 L CA -0.533 54.427 54.840 0.199 0.000 0.804 571 L CB 0.812 42.773 42.059 -0.162 0.000 1.146 571 L HN 0.668 nan 8.230 nan 0.000 0.451 572 D N 1.418 122.108 120.400 0.483 0.000 2.280 572 D HA 0.038 4.677 4.640 -0.000 0.000 0.236 572 D C 0.624 177.170 176.300 0.410 0.000 1.082 572 D CA -0.180 54.026 54.000 0.342 0.000 0.834 572 D CB 1.706 42.504 40.800 -0.004 0.000 1.100 572 D HN 0.648 nan 8.370 nan 0.000 0.486 573 E N 3.313 123.724 120.200 0.353 0.000 2.058 573 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 573 E C 1.286 177.958 176.600 0.119 0.000 0.997 573 E CA 1.442 57.886 56.400 0.074 0.000 0.801 573 E CB 0.361 29.987 29.700 -0.124 0.000 0.746 573 E HN 0.409 nan 8.360 nan 0.000 0.450 574 K N -0.011 120.428 120.400 0.065 0.000 2.097 574 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 574 K C 2.178 178.758 176.600 -0.032 0.000 1.050 574 K CA 0.995 57.300 56.287 0.030 0.000 0.938 574 K CB 0.078 32.583 32.500 0.008 0.000 0.718 574 K HN -0.031 nan 8.250 nan 0.000 0.442 575 K N 0.244 120.548 120.400 -0.161 0.000 2.097 575 K HA -0.163 4.156 4.320 -0.000 0.000 0.205 575 K C 2.087 178.572 176.600 -0.191 0.000 1.050 575 K CA 1.288 57.330 56.287 -0.408 0.000 0.938 575 K CB -0.430 31.340 32.500 -1.217 0.000 0.718 575 K HN 0.233 nan 8.250 nan 0.000 0.442 576 Y N 2.374 122.642 120.300 -0.053 0.000 2.200 576 Y HA -0.228 4.321 4.550 -0.000 0.000 0.290 576 Y C 2.044 177.944 175.900 0.001 0.000 1.137 576 Y CA 1.754 59.935 58.100 0.135 0.000 1.163 576 Y CB -0.347 38.261 38.460 0.246 0.000 0.988 576 Y HN 0.121 nan 8.280 nan 0.000 0.518 577 D N -0.188 120.228 120.400 0.026 0.000 2.149 577 D HA -0.196 4.443 4.640 -0.000 0.000 0.198 577 D C 1.852 178.116 176.300 -0.060 0.000 0.990 577 D CA 1.893 55.914 54.000 0.034 0.000 0.839 577 D CB -0.030 40.882 40.800 0.187 0.000 0.948 577 D HN 0.585 nan 8.370 nan 0.000 0.460 578 E N -0.712 119.454 120.200 -0.057 0.000 2.107 578 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 578 E C 1.968 178.516 176.600 -0.086 0.000 0.982 578 E CA 0.326 56.699 56.400 -0.045 0.000 0.809 578 E CB -0.054 29.628 29.700 -0.030 0.000 0.756 578 E HN 0.224 nan 8.360 nan 0.000 0.459 579 L N 0.992 122.134 121.223 -0.135 0.000 2.083 579 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 579 L C 2.104 178.811 176.870 -0.272 0.000 1.083 579 L CA 1.220 55.969 54.840 -0.151 0.000 0.752 579 L CB -0.333 41.664 42.059 -0.103 0.000 0.899 579 L HN 0.136 nan 8.230 nan 0.000 0.433 580 L N -1.293 119.649 121.223 -0.470 0.000 2.141 580 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 580 L C 2.405 179.005 176.870 -0.451 0.000 1.094 580 L CA 1.798 56.321 54.840 -0.529 0.000 0.763 580 L CB -0.727 41.004 42.059 -0.548 0.000 0.908 580 L HN 0.250 nan 8.230 nan 0.000 0.437 581 S N -0.703 114.883 115.700 -0.191 0.000 2.402 581 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 581 S C 1.805 176.414 174.600 0.014 0.000 1.021 581 S CA 1.141 59.341 58.200 0.001 0.000 0.974 581 S CB -0.176 63.067 63.200 0.072 0.000 0.800 581 S HN 0.546 nan 8.310 nan 0.000 0.484 582 E N 0.730 120.908 120.200 -0.036 0.000 2.106 582 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 582 E C 1.671 178.246 176.600 -0.042 0.000 0.984 582 E CA 1.095 57.480 56.400 -0.024 0.000 0.806 582 E CB -0.435 29.250 29.700 -0.025 0.000 0.750 582 E HN 0.629 nan 8.360 nan 0.000 0.458 583 Y N -0.364 119.814 120.300 -0.202 0.000 2.145 583 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 583 Y C 1.637 177.450 175.900 -0.145 0.000 1.145 583 Y CA 2.047 60.009 58.100 -0.230 0.000 1.148 583 Y CB -0.414 37.858 38.460 -0.314 0.000 0.981 583 Y HN 0.098 nan 8.280 nan 0.000 0.507 584 Y N 0.371 120.697 120.300 0.044 0.000 2.224 584 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 584 Y C 2.767 178.616 175.900 -0.084 0.000 1.146 584 Y CA 1.370 59.484 58.100 0.023 0.000 1.182 584 Y CB -1.078 37.520 38.460 0.231 0.000 0.983 584 Y HN 0.150 nan 8.280 nan 0.000 0.524 585 R N 0.569 121.125 120.500 0.094 0.000 2.080 585 R HA -0.168 4.171 4.340 -0.000 0.000 0.236 585 R C 2.153 178.403 176.300 -0.083 0.000 1.137 585 R CA 1.989 58.102 56.100 0.021 0.000 0.943 585 R CB -0.584 29.725 30.300 0.014 0.000 0.846 585 R HN 0.309 nan 8.270 nan 0.000 0.431 586 I N 0.454 120.920 120.570 -0.174 0.000 2.264 586 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 586 I C 2.334 178.252 176.117 -0.332 0.000 1.111 586 I CA 1.312 62.464 61.300 -0.247 0.000 1.382 586 I CB -0.192 37.627 38.000 -0.302 0.000 1.060 586 I HN 0.187 nan 8.210 nan 0.000 0.418 587 R N 0.605 120.805 120.500 -0.500 0.000 2.276 587 R HA 0.096 4.436 4.340 -0.000 0.000 0.196 587 R C 1.299 177.397 176.300 -0.337 0.000 0.961 587 R CA 0.744 56.447 56.100 -0.663 0.000 1.024 587 R CB 0.143 29.551 30.300 -1.487 0.000 0.940 587 R HN 0.500 nan 8.270 nan 0.000 0.480 588 G N 0.790 109.521 108.800 -0.116 0.000 2.160 588 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 588 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 588 G C -0.529 174.556 174.900 0.309 0.000 1.022 588 G CA -0.077 45.071 45.100 0.080 0.000 0.741 588 G HN 0.140 nan 8.290 nan 0.000 0.508 589 W N 1.011 122.316 121.300 0.007 0.000 2.509 589 W HA 0.595 5.255 4.660 -0.000 0.000 0.351 589 W C 0.715 177.193 176.519 -0.068 0.000 1.107 589 W CA -1.032 56.288 57.345 -0.042 0.000 1.264 589 W CB 0.590 30.014 29.460 -0.059 0.000 1.312 589 W HN 0.342 nan 8.180 nan 0.000 0.608 590 D N -0.065 120.385 120.400 0.084 0.000 2.398 590 D HA 0.001 4.641 4.640 -0.000 0.000 0.264 590 D C 0.637 176.904 176.300 -0.055 0.000 1.263 590 D CA -0.062 53.955 54.000 0.028 0.000 1.037 590 D CB 0.555 41.360 40.800 0.008 0.000 1.101 590 D HN 0.239 nan 8.370 nan 0.000 0.551 591 E N -1.088 119.138 120.200 0.043 0.000 2.511 591 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 591 E C 1.104 177.754 176.600 0.083 0.000 1.066 591 E CA 0.217 56.695 56.400 0.131 0.000 0.871 591 E CB -0.069 29.733 29.700 0.171 0.000 0.863 591 E HN 0.428 nan 8.360 nan 0.000 0.520 592 R N -0.738 119.744 120.500 -0.031 0.000 2.397 592 R HA 0.141 4.480 4.340 -0.000 0.000 0.241 592 R C 0.894 177.197 176.300 0.005 0.000 0.914 592 R CA 0.474 56.600 56.100 0.043 0.000 1.071 592 R CB 0.716 31.068 30.300 0.088 0.000 1.116 592 R HN 0.131 nan 8.270 nan 0.000 0.524 593 G N 1.762 110.289 108.800 -0.455 0.000 2.160 593 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 593 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 593 G C 0.006 174.746 174.900 -0.267 0.000 1.022 593 G CA -0.083 44.746 45.100 -0.453 0.000 0.741 593 G HN 0.227 nan 8.290 nan 0.000 0.508 594 I N 0.604 120.988 120.570 -0.309 0.000 2.404 594 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 594 I C -2.133 173.708 176.117 -0.461 0.000 0.992 594 I CA -2.745 58.292 61.300 -0.437 0.000 1.149 594 I CB 2.098 39.961 38.000 -0.228 0.000 1.315 594 I HN -0.172 nan 8.210 nan 0.000 0.446 595 P HA 0.061 nan 4.420 nan 0.000 0.266 595 P C -0.885 176.343 177.300 -0.120 0.000 1.195 595 P CA -0.091 62.779 63.100 -0.382 0.000 0.768 595 P CB 0.449 31.934 31.700 -0.359 0.000 0.838 596 K N 2.397 122.809 120.400 0.020 0.000 2.154 596 K HA 0.139 4.459 4.320 -0.000 0.000 0.264 596 K C 1.425 178.021 176.600 -0.006 0.000 1.008 596 K CA -0.400 55.894 56.287 0.013 0.000 0.937 596 K CB 0.605 33.136 32.500 0.051 0.000 1.002 596 K HN 0.314 nan 8.250 nan 0.000 0.469 597 K N 1.349 121.742 120.400 -0.013 0.000 2.044 597 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 597 K C 1.562 178.155 176.600 -0.012 0.000 1.049 597 K CA 1.464 57.739 56.287 -0.020 0.000 0.927 597 K CB 0.070 32.563 32.500 -0.011 0.000 0.713 597 K HN 0.447 nan 8.250 nan 0.000 0.443 598 E N 0.183 120.386 120.200 0.003 0.000 2.153 598 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 598 E C 2.037 178.644 176.600 0.011 0.000 0.988 598 E CA 1.204 57.608 56.400 0.007 0.000 0.811 598 E CB -0.348 29.360 29.700 0.013 0.000 0.746 598 E HN 0.304 nan 8.360 nan 0.000 0.466 599 T N 1.443 116.013 114.554 0.027 0.000 2.777 599 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 599 T C 2.103 176.815 174.700 0.020 0.000 1.040 599 T CA 0.629 62.758 62.100 0.048 0.000 1.141 599 T CB -0.148 68.792 68.868 0.120 0.000 0.868 599 T HN 0.094 nan 8.240 nan 0.000 0.444 600 L N 0.378 121.591 121.223 -0.017 0.000 2.141 600 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 600 L C 2.578 179.402 176.870 -0.077 0.000 1.094 600 L CA 1.280 56.072 54.840 -0.079 0.000 0.763 600 L CB -0.405 41.571 42.059 -0.138 0.000 0.908 600 L HN 0.217 nan 8.230 nan 0.000 0.437 601 K N 0.057 120.431 120.400 -0.043 0.000 2.062 601 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 601 K C 1.933 178.522 176.600 -0.018 0.000 1.051 601 K CA 1.120 57.390 56.287 -0.029 0.000 0.941 601 K CB -0.053 32.439 32.500 -0.014 0.000 0.719 601 K HN 0.311 nan 8.250 nan 0.000 0.440 602 E N 0.711 120.905 120.200 -0.010 0.000 2.265 602 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 602 E C 1.369 177.964 176.600 -0.009 0.000 0.996 602 E CA 0.713 57.110 56.400 -0.005 0.000 0.832 602 E CB 0.063 29.764 29.700 0.002 0.000 0.756 602 E HN 0.255 nan 8.360 nan 0.000 0.491 603 L N 0.668 121.883 121.223 -0.014 0.000 2.628 603 L HA 0.050 4.390 4.340 -0.000 0.000 0.229 603 L C -0.379 176.469 176.870 -0.037 0.000 1.137 603 L CA -0.168 54.661 54.840 -0.018 0.000 0.909 603 L CB 0.144 42.204 42.059 0.002 0.000 1.137 603 L HN 0.000 nan 8.230 nan 0.000 0.470 604 D N 0.859 121.241 120.400 -0.030 0.000 2.746 604 D HA -0.182 4.458 4.640 -0.000 0.000 0.236 604 D C 0.175 176.484 176.300 0.015 0.000 1.129 604 D CA 0.750 54.750 54.000 0.000 0.000 0.691 604 D CB -1.313 39.484 40.800 -0.004 0.000 1.077 604 D HN 0.330 nan 8.370 nan 0.000 0.432 605 L N -0.068 121.074 121.223 -0.135 0.000 3.255 605 L HA 0.162 4.502 4.340 -0.000 0.000 0.293 605 L C 1.078 177.620 176.870 -0.548 0.000 1.302 605 L CA -0.438 54.099 54.840 -0.506 0.000 0.977 605 L CB 0.574 42.334 42.059 -0.497 0.000 1.390 605 L HN -0.219 nan 8.230 nan 0.000 0.588 606 D N 0.921 121.198 120.400 -0.205 0.000 2.149 606 D HA -0.257 4.383 4.640 -0.000 0.000 0.198 606 D C 1.918 178.167 176.300 -0.084 0.000 0.990 606 D CA 1.624 55.568 54.000 -0.093 0.000 0.839 606 D CB -0.121 40.699 40.800 0.034 0.000 0.948 606 D HN 0.519 nan 8.370 nan 0.000 0.460 607 F N -0.008 119.956 119.950 0.023 0.000 2.287 607 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 607 F C 1.780 177.627 175.800 0.079 0.000 1.069 607 F CA 0.443 58.484 58.000 0.068 0.000 1.372 607 F CB -0.925 38.139 39.000 0.105 0.000 1.056 607 F HN -0.125 nan 8.300 nan 0.000 0.523 608 V N 1.270 120.841 119.914 -0.572 0.000 2.488 608 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 608 V C 2.521 178.577 176.094 -0.065 0.000 1.046 608 V CA 1.541 63.587 62.300 -0.423 0.000 1.053 608 V CB -0.523 30.824 31.823 -0.793 0.000 0.679 608 V HN 0.426 nan 8.190 nan 0.000 0.458 609 I N 1.067 121.583 120.570 -0.090 0.000 2.091 609 I HA -0.200 3.970 4.170 -0.000 0.000 0.239 609 I C 0.133 176.276 176.117 0.044 0.000 1.061 609 I CA 1.961 63.248 61.300 -0.022 0.000 1.317 609 I CB -1.786 36.197 38.000 -0.028 0.000 1.031 609 I HN 0.351 nan 8.210 nan 0.000 0.401 610 P HA -0.185 nan 4.420 nan 0.000 0.216 610 P C 1.239 178.601 177.300 0.103 0.000 1.150 610 P CA 1.673 64.825 63.100 0.087 0.000 0.837 610 P CB -0.132 31.629 31.700 0.103 0.000 0.786 611 E N -0.267 120.036 120.200 0.172 0.000 2.107 611 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 611 E C 2.268 178.941 176.600 0.121 0.000 0.982 611 E CA 0.740 57.243 56.400 0.172 0.000 0.809 611 E CB -0.392 29.505 29.700 0.329 0.000 0.756 611 E HN 0.290 nan 8.360 nan 0.000 0.459 612 L N 0.790 122.091 121.223 0.129 0.000 2.156 612 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 612 L C 2.126 179.013 176.870 0.029 0.000 1.095 612 L CA 0.895 55.772 54.840 0.061 0.000 0.770 612 L CB -0.228 41.844 42.059 0.021 0.000 0.914 612 L HN 0.104 nan 8.230 nan 0.000 0.439 613 E N 0.308 120.528 120.200 0.032 0.000 2.268 613 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 613 E C 1.750 178.363 176.600 0.021 0.000 0.995 613 E CA 0.732 57.145 56.400 0.022 0.000 0.836 613 E CB 0.138 29.852 29.700 0.023 0.000 0.763 613 E HN 0.428 nan 8.360 nan 0.000 0.491 614 K N -0.159 120.255 120.400 0.023 0.000 2.486 614 K HA 0.005 4.325 4.320 -0.000 0.000 0.194 614 K C 1.487 178.091 176.600 0.008 0.000 1.033 614 K CA 0.286 56.581 56.287 0.013 0.000 1.004 614 K CB 0.617 33.121 32.500 0.007 0.000 0.798 614 K HN -0.037 nan 8.250 nan 0.000 0.495 615 V N -0.654 119.267 119.914 0.011 0.000 3.473 615 V HA 0.062 4.182 4.120 -0.000 0.000 0.253 615 V C 0.217 176.326 176.094 0.025 0.000 1.340 615 V CA 0.646 62.954 62.300 0.014 0.000 1.103 615 V CB 1.572 33.400 31.823 0.007 0.000 0.881 615 V HN 0.211 nan 8.190 nan 0.000 0.451 616 T N 0.087 114.654 114.554 0.021 0.000 2.711 616 T HA 0.307 4.657 4.350 -0.000 0.000 0.302 616 T C -1.811 172.898 174.700 0.016 0.000 1.373 616 T CA -0.593 61.522 62.100 0.025 0.000 1.000 616 T CB 1.560 70.446 68.868 0.031 0.000 1.483 616 T HN 0.392 nan 8.240 nan 0.000 0.499 617 N N 2.299 121.009 118.700 0.016 0.000 2.473 617 N HA 0.417 5.157 4.740 -0.000 0.000 0.291 617 N C -0.825 174.687 175.510 0.003 0.000 1.083 617 N CA -0.560 52.497 53.050 0.012 0.000 0.951 617 N CB 1.184 39.680 38.487 0.016 0.000 1.164 617 N HN 0.539 nan 8.380 nan 0.000 0.480 618 L N 1.201 122.424 121.223 -0.002 0.000 2.307 618 L HA 0.399 4.739 4.340 -0.000 0.000 0.282 618 L C 0.482 177.350 176.870 -0.004 0.000 1.051 618 L CA -0.374 54.458 54.840 -0.012 0.000 0.804 618 L CB 0.421 42.468 42.059 -0.020 0.000 1.197 618 L HN 0.718 nan 8.230 nan 0.000 0.431 619 E N 0.000 120.197 120.200 -0.005 0.000 2.725 619 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 619 E CA 0.000 56.405 56.400 0.008 0.000 0.976 619 E CB 0.000 29.707 29.700 0.012 0.000 0.812 619 E HN 0.000 nan 8.360 nan 0.000 0.440