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_B 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 0.000 176.175 176.300 -0.208 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.073 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 Y N 1.500 121.814 120.300 0.024 0.000 2.567 2 Y HA 0.754 5.304 4.550 -0.000 0.000 0.333 2 Y C 1.132 176.913 175.900 -0.199 0.000 1.106 2 Y CA 1.086 59.120 58.100 -0.109 0.000 1.157 2 Y CB 1.935 40.321 38.460 -0.123 0.000 1.277 2 Y HN 0.948 nan 8.280 nan 0.000 0.490 3 G N 0.018 108.720 108.800 -0.163 0.000 5.266 3 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.262 3 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.262 3 G C 0.003 174.681 174.900 -0.369 0.000 1.359 3 G CA 0.141 45.008 45.100 -0.387 0.000 0.955 3 G HN 0.564 nan 8.290 nan 0.000 0.754 4 W N 0.430 121.666 121.300 -0.106 0.000 2.184 4 W HA 0.565 5.224 4.660 -0.000 0.000 0.338 4 W C 0.947 177.383 176.519 -0.138 0.000 1.257 4 W CA -0.452 56.862 57.345 -0.050 0.000 1.243 4 W CB 0.102 29.586 29.460 0.040 0.000 1.122 4 W HN 0.437 nan 8.180 nan 0.000 0.585 5 W N -0.252 121.216 121.300 0.279 0.000 2.704 5 W HA 0.166 4.826 4.660 -0.000 0.000 0.266 5 W C 1.877 178.428 176.519 0.054 0.000 1.266 5 W CA 0.791 58.216 57.345 0.134 0.000 1.377 5 W CB 0.024 29.558 29.460 0.123 0.000 1.082 5 W HN 0.703 nan 8.180 nan 0.000 0.608 6 G N 1.195 110.116 108.800 0.201 0.000 2.153 6 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 6 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 6 G C 0.028 174.951 174.900 0.038 0.000 0.994 6 G CA -0.210 44.692 45.100 -0.330 0.000 0.698 6 G HN 0.256 nan 8.290 nan 0.000 0.521 7 R N -0.812 119.941 120.500 0.421 0.000 2.534 7 R HA 0.750 5.090 4.340 -0.000 0.000 0.301 7 R C -0.331 176.288 176.300 0.531 0.000 0.961 7 R CA -0.749 55.609 56.100 0.431 0.000 0.871 7 R CB 1.674 32.132 30.300 0.264 0.000 1.170 7 R HN 0.217 nan 8.270 nan 0.000 0.446 8 I N 3.527 124.355 120.570 0.431 0.000 2.447 8 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 8 I C -0.913 175.318 176.117 0.189 0.000 1.023 8 I CA -1.113 60.370 61.300 0.304 0.000 1.083 8 I CB 1.948 40.072 38.000 0.208 0.000 1.245 8 I HN 0.300 nan 8.210 nan 0.000 0.434 9 L N 7.725 128.979 121.223 0.052 0.000 2.360 9 L HA 0.369 4.709 4.340 -0.000 0.000 0.276 9 L C -0.324 176.501 176.870 -0.075 0.000 1.121 9 L CA 0.294 55.033 54.840 -0.169 0.000 0.845 9 L CB -0.028 41.623 42.059 -0.678 0.000 1.143 9 L HN 0.439 nan 8.230 nan 0.000 0.452 10 R N 4.977 125.450 120.500 -0.046 0.000 2.343 10 R HA 0.595 4.934 4.340 -0.000 0.000 0.320 10 R C -1.355 174.925 176.300 -0.033 0.000 0.956 10 R CA -0.708 55.379 56.100 -0.022 0.000 0.836 10 R CB 1.532 31.831 30.300 -0.002 0.000 1.151 10 R HN 0.442 nan 8.270 nan 0.000 0.450 11 V N 3.339 123.239 119.914 -0.024 0.000 2.487 11 V HA 0.297 4.417 4.120 -0.000 0.000 0.298 11 V C -0.130 175.958 176.094 -0.010 0.000 1.028 11 V CA -0.957 61.330 62.300 -0.022 0.000 0.860 11 V CB 1.987 33.797 31.823 -0.022 0.000 0.991 11 V HN 0.575 nan 8.190 nan 0.000 0.427 12 N N 4.476 123.167 118.700 -0.015 0.000 2.511 12 N HA 0.383 5.123 4.740 -0.000 0.000 0.249 12 N C 0.613 176.114 175.510 -0.015 0.000 0.971 12 N CA -0.390 52.651 53.050 -0.014 0.000 0.938 12 N CB 1.603 40.079 38.487 -0.018 0.000 1.131 12 N HN 0.639 nan 8.380 nan 0.000 0.505 13 L N 1.752 122.969 121.223 -0.010 0.000 2.217 13 L HA -0.076 4.263 4.340 -0.000 0.000 0.211 13 L C 1.795 178.653 176.870 -0.020 0.000 1.107 13 L CA 0.916 55.749 54.840 -0.012 0.000 0.783 13 L CB -0.236 41.823 42.059 -0.001 0.000 0.919 13 L HN 0.466 nan 8.230 nan 0.000 0.442 14 T N -1.142 113.399 114.554 -0.021 0.000 2.701 14 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 14 T C 1.909 176.594 174.700 -0.025 0.000 1.040 14 T CA 2.010 64.096 62.100 -0.025 0.000 1.147 14 T CB -0.237 68.616 68.868 -0.025 0.000 0.865 14 T HN 0.510 nan 8.240 nan 0.000 0.426 15 T N -1.463 113.077 114.554 -0.023 0.000 3.057 15 T HA 0.382 4.732 4.350 -0.000 0.000 0.254 15 T C 1.852 176.538 174.700 -0.023 0.000 1.094 15 T CA 0.894 62.981 62.100 -0.022 0.000 1.088 15 T CB -0.080 68.776 68.868 -0.020 0.000 0.934 15 T HN 0.543 nan 8.240 nan 0.000 0.497 16 G N 1.353 110.139 108.800 -0.024 0.000 2.159 16 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.256 16 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.256 16 G C -0.167 174.718 174.900 -0.024 0.000 0.977 16 G CA 0.284 45.368 45.100 -0.027 0.000 0.652 16 G HN 0.856 nan 8.290 nan 0.000 0.531 17 E N 0.247 120.435 120.200 -0.020 0.000 2.316 17 E HA 0.462 4.811 4.350 -0.000 0.000 0.275 17 E C -0.287 176.303 176.600 -0.018 0.000 1.029 17 E CA -0.415 55.975 56.400 -0.017 0.000 0.871 17 E CB 0.882 30.573 29.700 -0.014 0.000 1.022 17 E HN 0.151 nan 8.360 nan 0.000 0.418 18 V N 5.582 125.487 119.914 -0.016 0.000 2.487 18 V HA 0.415 4.535 4.120 -0.000 0.000 0.298 18 V C -0.422 175.668 176.094 -0.007 0.000 1.028 18 V CA -0.602 61.686 62.300 -0.020 0.000 0.860 18 V CB 1.501 33.308 31.823 -0.027 0.000 0.991 18 V HN 0.756 nan 8.190 nan 0.000 0.427 19 K N 2.978 123.376 120.400 -0.003 0.000 2.522 19 K HA 0.878 5.198 4.320 -0.000 0.000 0.275 19 K C -1.960 174.661 176.600 0.034 0.000 1.006 19 K CA -0.978 55.320 56.287 0.019 0.000 0.890 19 K CB 2.496 35.008 32.500 0.020 0.000 1.475 19 K HN 0.195 nan 8.250 nan 0.000 0.441 20 V N 1.638 121.594 119.914 0.070 0.000 2.409 20 V HA 0.256 4.376 4.120 -0.000 0.000 0.291 20 V C -0.647 175.520 176.094 0.123 0.000 1.020 20 V CA -0.611 61.760 62.300 0.118 0.000 0.848 20 V CB 1.293 33.216 31.823 0.167 0.000 0.990 20 V HN 0.765 nan 8.190 nan 0.000 0.430 21 Q N 4.246 124.134 119.800 0.147 0.000 2.243 21 Q HA 0.393 4.732 4.340 -0.000 0.000 0.252 21 Q C -0.657 175.489 176.000 0.244 0.000 0.909 21 Q CA -0.455 55.449 55.803 0.167 0.000 0.922 21 Q CB 1.317 30.148 28.738 0.155 0.000 1.215 21 Q HN 0.730 nan 8.270 nan 0.000 0.427 22 E N 3.599 123.929 120.200 0.216 0.000 2.166 22 E HA 0.224 4.574 4.350 -0.000 0.000 0.275 22 E C -1.360 175.407 176.600 0.278 0.000 0.941 22 E CA -0.595 55.934 56.400 0.214 0.000 0.784 22 E CB 1.084 30.853 29.700 0.115 0.000 1.115 22 E HN 0.502 nan 8.360 nan 0.000 0.399 23 Y N 0.663 121.050 120.300 0.145 0.000 2.468 23 Y HA 0.580 5.129 4.550 -0.000 0.000 0.342 23 Y C -2.647 173.269 175.900 0.027 0.000 1.021 23 Y CA -3.658 54.525 58.100 0.137 0.000 1.079 23 Y CB 0.110 38.701 38.460 0.219 0.000 1.226 23 Y HN 0.267 nan 8.280 nan 0.000 0.460 24 P HA -0.008 nan 4.420 nan 0.000 0.269 24 P C 0.216 177.330 177.300 -0.309 0.000 1.209 24 P CA 0.058 63.067 63.100 -0.152 0.000 0.776 24 P CB 1.333 32.997 31.700 -0.060 0.000 0.876 25 E N 0.960 120.988 120.200 -0.288 0.000 2.267 25 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 25 E C 1.505 177.887 176.600 -0.363 0.000 0.998 25 E CA 0.988 57.175 56.400 -0.355 0.000 0.830 25 E CB 0.100 29.675 29.700 -0.209 0.000 0.751 25 E HN 0.436 nan 8.360 nan 0.000 0.491 26 E N 0.108 120.160 120.200 -0.247 0.000 2.077 26 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 26 E C 1.908 178.348 176.600 -0.266 0.000 0.989 26 E CA 1.284 57.552 56.400 -0.220 0.000 0.800 26 E CB -0.262 29.352 29.700 -0.143 0.000 0.746 26 E HN 0.148 nan 8.360 nan 0.000 0.452 27 V N 0.828 120.585 119.914 -0.262 0.000 2.358 27 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 27 V C 2.399 178.366 176.094 -0.213 0.000 1.047 27 V CA 1.771 63.894 62.300 -0.295 0.000 1.035 27 V CB -0.943 30.572 31.823 -0.514 0.000 0.658 27 V HN 0.458 nan 8.190 nan 0.000 0.452 28 A N -0.490 122.157 122.820 -0.289 0.000 1.933 28 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 28 A C 2.302 179.424 177.584 -0.770 0.000 1.175 28 A CA 1.897 53.588 52.037 -0.577 0.000 0.628 28 A CB -0.386 17.886 19.000 -1.213 0.000 0.814 28 A HN 0.532 nan 8.150 nan 0.000 0.444 29 K N -0.658 119.337 120.400 -0.675 0.000 2.103 29 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 29 K C 2.175 178.754 176.600 -0.036 0.000 1.052 29 K CA 1.367 57.497 56.287 -0.261 0.000 0.945 29 K CB -0.094 32.277 32.500 -0.215 0.000 0.722 29 K HN 0.479 nan 8.250 nan 0.000 0.443 30 K N -0.073 120.188 120.400 -0.230 0.000 2.103 30 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 30 K C 1.170 177.471 176.600 -0.498 0.000 1.052 30 K CA 1.217 57.267 56.287 -0.396 0.000 0.945 30 K CB 0.162 32.292 32.500 -0.617 0.000 0.722 30 K HN -0.005 nan 8.250 nan 0.000 0.443 31 F N -0.241 119.673 119.950 -0.060 0.000 2.724 31 F HA 0.304 4.831 4.527 -0.000 0.000 0.306 31 F C 1.176 177.008 175.800 0.054 0.000 1.100 31 F CA -0.097 57.897 58.000 -0.009 0.000 1.255 31 F CB 0.360 39.326 39.000 -0.055 0.000 1.072 31 F HN -0.081 nan 8.300 nan 0.000 0.589 32 I N -1.008 119.699 120.570 0.229 0.000 4.381 32 I HA -0.397 3.773 4.170 -0.000 0.000 0.070 32 I C 1.056 177.443 176.117 0.449 0.000 0.586 32 I CA 1.464 62.980 61.300 0.360 0.000 1.055 32 I CB -1.500 36.599 38.000 0.165 0.000 0.943 32 I HN 0.324 nan 8.210 nan 0.000 0.171 33 G N -1.511 107.472 108.800 0.304 0.000 2.345 33 G HA2 0.524 4.483 3.960 -0.000 0.000 0.285 33 G HA3 0.524 4.483 3.960 -0.000 0.000 0.285 33 G C 0.171 175.194 174.900 0.206 0.000 1.297 33 G CA 0.178 45.450 45.100 0.286 0.000 0.875 33 G HN 1.476 nan 8.290 nan 0.000 0.506 34 G N 0.188 109.105 108.800 0.196 0.000 2.698 34 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.337 34 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.337 34 G C 1.598 176.591 174.900 0.155 0.000 1.286 34 G CA 2.386 47.587 45.100 0.167 0.000 1.000 34 G HN 1.566 nan 8.290 nan 0.000 0.547 35 R N 1.061 121.654 120.500 0.155 0.000 2.091 35 R HA -0.029 4.311 4.340 -0.000 0.000 0.238 35 R C 2.848 179.221 176.300 0.123 0.000 1.136 35 R CA 2.604 58.805 56.100 0.168 0.000 0.959 35 R CB -1.099 29.295 30.300 0.156 0.000 0.856 35 R HN 0.727 nan 8.270 nan 0.000 0.437 36 G N 1.413 110.301 108.800 0.147 0.000 2.459 36 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 36 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 36 G C 1.306 176.252 174.900 0.076 0.000 1.183 36 G CA 0.752 45.969 45.100 0.196 0.000 0.776 36 G HN 0.312 nan 8.290 nan 0.000 0.552 37 L N 1.403 122.697 121.223 0.119 0.000 2.042 37 L HA 0.080 4.419 4.340 -0.000 0.000 0.210 37 L C 3.122 180.036 176.870 0.073 0.000 1.076 37 L CA 2.117 57.003 54.840 0.076 0.000 0.749 37 L CB -0.681 41.433 42.059 0.092 0.000 0.893 37 L HN 0.263 nan 8.230 nan 0.000 0.432 38 A N -0.799 122.071 122.820 0.082 0.000 1.902 38 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 38 A C 2.442 180.077 177.584 0.086 0.000 1.181 38 A CA 1.757 53.844 52.037 0.083 0.000 0.623 38 A CB -1.094 17.989 19.000 0.138 0.000 0.818 38 A HN 0.535 nan 8.150 nan 0.000 0.443 39 A N -1.551 121.299 122.820 0.049 0.000 1.902 39 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 39 A C 1.966 179.535 177.584 -0.025 0.000 1.181 39 A CA 1.602 53.602 52.037 -0.060 0.000 0.623 39 A CB -0.870 17.993 19.000 -0.229 0.000 0.818 39 A HN 0.875 nan 8.150 nan 0.000 0.443 40 W N 0.802 121.861 121.300 -0.402 0.000 2.355 40 W HA -0.162 4.498 4.660 -0.000 0.000 0.309 40 W C 1.742 178.168 176.519 -0.156 0.000 1.206 40 W CA 1.830 58.891 57.345 -0.473 0.000 1.284 40 W CB -0.390 28.488 29.460 -0.969 0.000 1.145 40 W HN 0.300 nan 8.180 nan 0.000 0.502 41 I N 0.201 120.604 120.570 -0.280 0.000 2.142 41 I HA -0.346 3.824 4.170 -0.000 0.000 0.240 41 I C 2.514 178.478 176.117 -0.255 0.000 1.078 41 I CA 1.472 62.529 61.300 -0.405 0.000 1.343 41 I CB -0.861 37.003 38.000 -0.227 0.000 1.046 41 I HN -0.032 nan 8.210 nan 0.000 0.405 42 L N -0.197 120.939 121.223 -0.145 0.000 2.083 42 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 42 L C 2.512 179.389 176.870 0.013 0.000 1.083 42 L CA 1.286 56.041 54.840 -0.142 0.000 0.752 42 L CB -0.629 41.238 42.059 -0.321 0.000 0.899 42 L HN 0.574 nan 8.230 nan 0.000 0.433 43 W N 1.522 122.798 121.300 -0.040 0.000 2.335 43 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 43 W C 2.103 178.644 176.519 0.036 0.000 1.213 43 W CA 1.616 59.061 57.345 0.166 0.000 1.274 43 W CB -0.267 29.297 29.460 0.173 0.000 1.148 43 W HN 0.263 nan 8.180 nan 0.000 0.498 44 N N 0.278 118.917 118.700 -0.101 0.000 2.300 44 N HA -0.109 4.630 4.740 -0.000 0.000 0.179 44 N C 1.113 176.480 175.510 -0.237 0.000 1.016 44 N CA 1.415 54.327 53.050 -0.230 0.000 0.876 44 N CB -0.265 38.002 38.487 -0.366 0.000 0.979 44 N HN 0.441 nan 8.380 nan 0.000 0.432 45 E N -0.576 119.497 120.200 -0.210 0.000 2.526 45 E HA 0.271 4.621 4.350 -0.000 0.000 0.208 45 E C -0.133 176.397 176.600 -0.116 0.000 0.997 45 E CA -0.176 56.124 56.400 -0.166 0.000 0.961 45 E CB 0.930 30.525 29.700 -0.174 0.000 1.030 45 E HN 0.123 nan 8.360 nan 0.000 0.483 46 A N 1.903 124.678 122.820 -0.075 0.000 3.105 46 A HA 0.273 4.593 4.320 -0.000 0.000 0.297 46 A C -0.295 177.272 177.584 -0.028 0.000 0.977 46 A CA -0.535 51.492 52.037 -0.017 0.000 1.020 46 A CB -0.067 18.959 19.000 0.043 0.000 1.098 46 A HN -0.022 nan 8.150 nan 0.000 0.497 47 R N 0.119 120.530 120.500 -0.148 0.000 2.248 47 R HA 0.443 4.783 4.340 -0.000 0.000 0.328 47 R C 1.120 177.309 176.300 -0.185 0.000 1.067 47 R CA 0.458 56.413 56.100 -0.242 0.000 0.924 47 R CB 0.679 30.807 30.300 -0.286 0.000 1.013 47 R HN 0.915 nan 8.270 nan 0.000 0.454 48 G N 1.726 110.404 108.800 -0.202 0.000 2.168 48 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.257 48 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.257 48 G C 0.335 175.168 174.900 -0.112 0.000 0.997 48 G CA 0.477 45.486 45.100 -0.152 0.000 0.708 48 G HN 0.570 nan 8.290 nan 0.000 0.520 49 V N -2.972 116.885 119.914 -0.095 0.000 2.834 49 V HA 0.719 4.839 4.120 -0.000 0.000 0.301 49 V C 0.514 176.569 176.094 -0.066 0.000 1.066 49 V CA -1.368 60.889 62.300 -0.071 0.000 1.052 49 V CB 1.730 33.518 31.823 -0.058 0.000 1.021 49 V HN 0.172 nan 8.190 nan 0.000 0.480 50 E N 4.246 124.410 120.200 -0.059 0.000 2.290 50 E HA 0.239 4.589 4.350 -0.000 0.000 0.277 50 E C -1.795 174.775 176.600 -0.049 0.000 1.035 50 E CA -2.013 54.353 56.400 -0.056 0.000 0.873 50 E CB 1.638 31.308 29.700 -0.050 0.000 1.029 50 E HN 0.582 nan 8.360 nan 0.000 0.419 51 P HA -0.130 nan 4.420 nan 0.000 0.217 51 P C 0.834 178.110 177.300 -0.041 0.000 1.148 51 P CA 1.125 64.197 63.100 -0.046 0.000 0.828 51 P CB 0.277 31.949 31.700 -0.047 0.000 0.783 52 L N -1.788 119.413 121.223 -0.036 0.000 2.667 52 L HA 0.157 4.497 4.340 -0.000 0.000 0.232 52 L C 1.007 177.863 176.870 -0.023 0.000 1.138 52 L CA -0.190 54.634 54.840 -0.026 0.000 0.921 52 L CB -0.244 41.801 42.059 -0.024 0.000 1.180 52 L HN -0.008 nan 8.230 nan 0.000 0.487 53 S N -1.176 114.506 115.700 -0.030 0.000 2.632 53 S HA 0.325 4.795 4.470 -0.000 0.000 0.271 53 S C -1.796 172.787 174.600 -0.028 0.000 1.260 53 S CA -1.149 57.033 58.200 -0.030 0.000 1.010 53 S CB 1.276 64.454 63.200 -0.036 0.000 0.965 53 S HN -0.150 nan 8.310 nan 0.000 0.534 54 P HA -0.046 nan 4.420 nan 0.000 0.221 54 P C 0.638 177.920 177.300 -0.031 0.000 1.145 54 P CA 1.022 64.107 63.100 -0.025 0.000 0.795 54 P CB -0.019 31.665 31.700 -0.026 0.000 0.775 55 E N -1.350 118.827 120.200 -0.037 0.000 2.347 55 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 55 E C 0.832 177.403 176.600 -0.049 0.000 1.008 55 E CA 0.200 56.574 56.400 -0.045 0.000 0.852 55 E CB -0.775 28.895 29.700 -0.049 0.000 0.783 55 E HN 0.209 nan 8.360 nan 0.000 0.505 56 N N 1.806 120.479 118.700 -0.046 0.000 2.479 56 N HA -0.029 4.710 4.740 -0.000 0.000 0.257 56 N C -0.686 174.789 175.510 -0.059 0.000 1.232 56 N CA 0.166 53.184 53.050 -0.053 0.000 0.920 56 N CB 0.482 38.937 38.487 -0.053 0.000 1.105 56 N HN -0.244 nan 8.380 nan 0.000 0.444 57 K N 2.669 123.023 120.400 -0.077 0.000 2.265 57 K HA 0.293 4.613 4.320 -0.000 0.000 0.267 57 K C -0.757 175.775 176.600 -0.114 0.000 0.994 57 K CA -0.821 55.416 56.287 -0.084 0.000 0.860 57 K CB 1.416 33.858 32.500 -0.096 0.000 1.099 57 K HN 0.424 nan 8.250 nan 0.000 0.448 58 L N 4.986 126.149 121.223 -0.100 0.000 2.257 58 L HA 0.441 4.781 4.340 -0.000 0.000 0.290 58 L C -0.788 175.951 176.870 -0.219 0.000 1.044 58 L CA -0.228 54.505 54.840 -0.178 0.000 0.810 58 L CB 0.329 42.326 42.059 -0.104 0.000 1.193 58 L HN 0.508 nan 8.230 nan 0.000 0.425 59 I N 5.456 125.828 120.570 -0.330 0.000 2.404 59 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 59 I C -0.999 174.879 176.117 -0.398 0.000 0.992 59 I CA -0.311 60.846 61.300 -0.238 0.000 1.149 59 I CB 1.231 39.153 38.000 -0.130 0.000 1.315 59 I HN 0.425 nan 8.210 nan 0.000 0.446 60 F N 5.284 125.254 119.950 0.035 0.000 2.325 60 F HA 0.604 5.131 4.527 -0.000 0.000 0.369 60 F C 0.409 176.262 175.800 0.089 0.000 1.095 60 F CA -0.535 57.502 58.000 0.061 0.000 1.082 60 F CB 1.370 40.406 39.000 0.059 0.000 1.289 60 F HN 0.419 nan 8.300 nan 0.000 0.462 61 A N 2.513 125.457 122.820 0.206 0.000 2.287 61 A HA 0.888 5.208 4.320 -0.000 0.000 0.317 61 A C -0.318 177.399 177.584 0.221 0.000 1.220 61 A CA -0.364 51.793 52.037 0.200 0.000 0.835 61 A CB 0.561 19.649 19.000 0.147 0.000 1.180 61 A HN 0.769 nan 8.150 nan 0.000 0.500 62 A N 1.938 124.910 122.820 0.253 0.000 2.420 62 A HA 0.980 5.300 4.320 -0.000 0.000 0.291 62 A C 0.530 178.275 177.584 0.268 0.000 1.228 62 A CA -0.087 52.104 52.037 0.257 0.000 0.933 62 A CB 0.845 20.012 19.000 0.280 0.000 1.428 62 A HN 1.894 nan 8.150 nan 0.000 0.493 63 G N -2.700 106.256 108.800 0.260 0.000 2.766 63 G HA2 0.566 4.526 3.960 -0.000 0.000 0.288 63 G HA3 0.566 4.526 3.960 -0.000 0.000 0.288 63 G C -2.389 172.645 174.900 0.224 0.000 1.408 63 G CA -0.557 44.702 45.100 0.265 0.000 0.852 63 G HN 0.337 nan 8.290 nan 0.000 0.487 64 P HA -0.124 nan 4.420 nan 0.000 0.218 64 P C 1.227 178.581 177.300 0.091 0.000 1.146 64 P CA 1.028 64.091 63.100 -0.061 0.000 0.813 64 P CB 0.125 31.573 31.700 -0.419 0.000 0.778 65 F N 0.219 120.133 119.950 -0.061 0.000 2.456 65 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 65 F C 1.117 176.926 175.800 0.015 0.000 1.104 65 F CA 0.169 58.149 58.000 -0.033 0.000 1.435 65 F CB -1.363 37.655 39.000 0.029 0.000 1.078 65 F HN -0.092 nan 8.300 nan 0.000 0.546 66 N N -0.533 118.324 118.700 0.263 0.000 2.530 66 N HA 0.378 5.118 4.740 -0.000 0.000 0.273 66 N C 1.110 176.734 175.510 0.190 0.000 1.173 66 N CA 0.762 53.954 53.050 0.236 0.000 0.967 66 N CB 0.623 39.260 38.487 0.250 0.000 1.109 66 N HN 0.218 nan 8.380 nan 0.000 0.453 67 G N 0.460 109.389 108.800 0.215 0.000 2.195 67 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 67 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 67 G C -0.133 174.840 174.900 0.122 0.000 0.984 67 G CA -0.147 45.070 45.100 0.195 0.000 0.633 67 G HN 0.390 nan 8.290 nan 0.000 0.525 68 L N 0.316 121.541 121.223 0.004 0.000 2.322 68 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 68 L C -2.288 174.246 176.870 -0.559 0.000 1.012 68 L CA -2.546 52.178 54.840 -0.193 0.000 0.815 68 L CB 2.113 44.039 42.059 -0.222 0.000 1.295 68 L HN -0.213 nan 8.230 nan 0.000 0.438 69 P HA 0.096 nan 4.420 nan 0.000 0.244 69 P C -0.921 176.050 177.300 -0.549 0.000 1.769 69 P CA -0.208 62.270 63.100 -1.037 0.000 1.102 69 P CB -0.163 31.247 31.700 -0.482 0.000 1.937 70 T N -0.335 113.938 114.554 -0.469 0.000 2.895 70 T HA 0.502 4.851 4.350 -0.000 0.000 0.283 70 T C -2.806 171.833 174.700 -0.102 0.000 1.014 70 T CA -3.277 58.636 62.100 -0.312 0.000 1.037 70 T CB 0.861 69.545 68.868 -0.307 0.000 1.006 70 T HN -0.125 nan 8.240 nan 0.000 0.468 71 P HA 0.137 nan 4.420 nan 0.000 0.257 71 P C 0.178 177.605 177.300 0.212 0.000 1.189 71 P CA 0.470 63.467 63.100 -0.171 0.000 0.780 71 P CB -0.183 31.304 31.700 -0.355 0.000 0.772 72 S N 2.306 118.211 115.700 0.341 0.000 3.549 72 S HA -0.171 4.299 4.470 -0.000 0.000 0.366 72 S C 1.189 175.985 174.600 0.327 0.000 1.012 72 S CA 0.915 59.305 58.200 0.318 0.000 1.141 72 S CB -1.751 61.600 63.200 0.251 0.000 0.910 72 S HN 0.810 nan 8.310 nan 0.000 0.471 73 G N 0.094 109.115 108.800 0.368 0.000 3.591 73 G HA2 0.462 4.422 3.960 -0.000 0.000 0.282 73 G HA3 0.462 4.422 3.960 -0.000 0.000 0.282 73 G C 0.588 175.705 174.900 0.361 0.000 1.238 73 G CA 0.181 45.511 45.100 0.384 0.000 0.993 73 G HN 0.695 nan 8.290 nan 0.000 0.542 74 G N 0.528 109.522 108.800 0.323 0.000 3.702 74 G HA2 0.279 4.239 3.960 -0.000 0.000 0.288 74 G HA3 0.279 4.239 3.960 -0.000 0.000 0.288 74 G C 0.527 175.550 174.900 0.205 0.000 1.193 74 G CA -0.385 44.871 45.100 0.261 0.000 0.952 74 G HN 0.114 nan 8.290 nan 0.000 0.544 75 K N -0.086 120.442 120.400 0.213 0.000 2.090 75 K HA 0.697 5.017 4.320 -0.000 0.000 0.249 75 K C -1.015 175.699 176.600 0.191 0.000 0.995 75 K CA -0.822 55.576 56.287 0.186 0.000 0.914 75 K CB 2.368 34.974 32.500 0.178 0.000 1.057 75 K HN 0.157 nan 8.250 nan 0.000 0.462 76 L N -0.156 121.176 121.223 0.182 0.000 2.505 76 L HA 0.335 4.675 4.340 -0.000 0.000 0.259 76 L C -1.583 175.395 176.870 0.180 0.000 0.952 76 L CA -0.690 54.269 54.840 0.198 0.000 0.840 76 L CB 2.226 44.417 42.059 0.220 0.000 1.358 76 L HN 0.291 nan 8.230 nan 0.000 0.409 77 V N 4.501 124.519 119.914 0.172 0.000 2.472 77 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 77 V C -0.588 175.555 176.094 0.081 0.000 1.037 77 V CA -0.588 61.789 62.300 0.129 0.000 0.908 77 V CB 1.847 33.747 31.823 0.128 0.000 0.985 77 V HN 0.522 nan 8.190 nan 0.000 0.454 78 V N 4.054 123.972 119.914 0.007 0.000 2.409 78 V HA 0.898 5.018 4.120 -0.000 0.000 0.291 78 V C 0.144 176.126 176.094 -0.188 0.000 1.020 78 V CA -0.319 61.877 62.300 -0.174 0.000 0.848 78 V CB 1.377 33.114 31.823 -0.144 0.000 0.990 78 V HN 1.035 nan 8.190 nan 0.000 0.430 79 A N 3.752 126.409 122.820 -0.272 0.000 2.515 79 A HA 1.093 5.413 4.320 -0.000 0.000 0.296 79 A C -0.520 176.869 177.584 -0.325 0.000 1.094 79 A CA -0.102 51.757 52.037 -0.297 0.000 0.718 79 A CB 2.202 21.059 19.000 -0.237 0.000 1.307 79 A HN 1.981 nan 8.150 nan 0.000 0.408 80 A N 0.500 123.095 122.820 -0.375 0.000 2.549 80 A HA 0.612 4.931 4.320 -0.000 0.000 0.291 80 A C -0.820 176.575 177.584 -0.316 0.000 1.034 80 A CA -0.446 51.416 52.037 -0.291 0.000 0.655 80 A CB 0.445 19.318 19.000 -0.212 0.000 1.299 80 A HN 1.100 nan 8.150 nan 0.000 0.427 81 K N 0.844 121.124 120.400 -0.200 0.000 2.412 81 K HA 0.341 4.661 4.320 -0.000 0.000 0.281 81 K C 0.275 176.799 176.600 -0.128 0.000 1.027 81 K CA 0.405 56.622 56.287 -0.118 0.000 0.989 81 K CB 0.459 32.975 32.500 0.027 0.000 0.935 81 K HN 0.777 nan 8.250 nan 0.000 0.475 82 S N 5.296 120.912 115.700 -0.140 0.000 2.505 82 S HA 0.176 4.646 4.470 -0.000 0.000 0.276 82 S C -1.477 173.097 174.600 -0.044 0.000 1.274 82 S CA -1.549 56.597 58.200 -0.090 0.000 1.053 82 S CB 0.861 64.021 63.200 -0.066 0.000 0.919 82 S HN 0.594 nan 8.310 nan 0.000 0.490 83 P HA -0.004 nan 4.420 nan 0.000 0.231 83 P C 1.298 178.597 177.300 -0.001 0.000 1.168 83 P CA 0.217 63.302 63.100 -0.025 0.000 0.779 83 P CB 0.169 31.849 31.700 -0.033 0.000 0.844 84 L N 0.719 121.959 121.223 0.028 0.000 2.127 84 L HA 0.035 4.375 4.340 -0.000 0.000 0.203 84 L C 2.203 179.131 176.870 0.097 0.000 1.080 84 L CA 2.465 57.343 54.840 0.064 0.000 0.768 84 L CB -1.275 40.849 42.059 0.108 0.000 0.924 84 L HN 0.005 nan 8.230 nan 0.000 0.444 85 T N -5.046 109.588 114.554 0.133 0.000 2.990 85 T HA 0.325 4.675 4.350 -0.000 0.000 0.249 85 T C 1.520 176.370 174.700 0.250 0.000 1.039 85 T CA 0.443 62.698 62.100 0.258 0.000 1.036 85 T CB 0.224 69.347 68.868 0.425 0.000 0.994 85 T HN 0.549 nan 8.240 nan 0.000 0.489 86 G N 0.591 109.433 108.800 0.070 0.000 2.179 86 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.260 86 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.260 86 G C 0.495 175.394 174.900 -0.002 0.000 0.977 86 G CA 0.095 45.219 45.100 0.040 0.000 0.641 86 G HN 1.083 nan 8.290 nan 0.000 0.533 87 G N -1.269 107.266 108.800 -0.442 0.000 3.119 87 G HA2 0.595 4.555 3.960 -0.000 0.000 0.206 87 G HA3 0.595 4.555 3.960 -0.000 0.000 0.206 87 G C -0.373 174.098 174.900 -0.714 0.000 1.313 87 G CA -0.475 43.913 45.100 -1.186 0.000 1.010 87 G HN 0.824 nan 8.290 nan 0.000 0.578 88 Y N 0.613 120.360 120.300 -0.921 0.000 2.442 88 Y HA 0.477 5.027 4.550 -0.000 0.000 0.330 88 Y C 0.401 176.221 175.900 -0.134 0.000 1.129 88 Y CA 0.146 58.028 58.100 -0.364 0.000 1.365 88 Y CB 0.636 38.994 38.460 -0.169 0.000 1.233 88 Y HN 0.504 nan 8.280 nan 0.000 0.529 89 G N 5.148 113.477 108.800 -0.784 0.000 2.617 89 G HA2 0.529 4.489 3.960 -0.000 0.000 0.306 89 G HA3 0.529 4.489 3.960 -0.000 0.000 0.306 89 G C -1.977 172.572 174.900 -0.585 0.000 1.360 89 G CA -0.655 44.189 45.100 -0.427 0.000 0.983 89 G HN 0.786 nan 8.290 nan 0.000 0.496 90 D N -0.282 119.986 120.400 -0.221 0.000 2.643 90 D HA 0.777 5.417 4.640 -0.000 0.000 0.283 90 D C -0.004 176.322 176.300 0.043 0.000 1.242 90 D CA -0.355 53.576 54.000 -0.114 0.000 0.863 90 D CB 1.261 42.034 40.800 -0.044 0.000 1.382 90 D HN 1.030 nan 8.370 nan 0.000 0.444 91 G N -0.786 108.046 108.800 0.053 0.000 2.608 91 G HA2 0.483 4.443 3.960 -0.000 0.000 0.291 91 G HA3 0.483 4.443 3.960 -0.000 0.000 0.291 91 G C -1.807 173.151 174.900 0.098 0.000 1.425 91 G CA -0.816 44.344 45.100 0.099 0.000 0.787 91 G HN 0.600 nan 8.290 nan 0.000 0.484 92 N N -0.811 117.958 118.700 0.115 0.000 2.242 92 N HA 0.722 5.462 4.740 -0.000 0.000 0.292 92 N C -1.157 174.432 175.510 0.132 0.000 1.125 92 N CA -0.507 52.617 53.050 0.122 0.000 0.783 92 N CB 2.378 40.932 38.487 0.111 0.000 1.558 92 N HN 0.963 nan 8.380 nan 0.000 0.472 93 L N -0.794 120.513 121.223 0.141 0.000 2.518 93 L HA 0.815 5.155 4.340 -0.000 0.000 0.257 93 L C -0.359 176.595 176.870 0.140 0.000 0.980 93 L CA -0.906 54.016 54.840 0.137 0.000 0.837 93 L CB 1.805 43.948 42.059 0.139 0.000 1.410 93 L HN 0.482 nan 8.230 nan 0.000 0.410 94 G N 0.248 109.124 108.800 0.128 0.000 2.372 94 G HA2 0.553 4.513 3.960 -0.000 0.000 0.283 94 G HA3 0.553 4.513 3.960 -0.000 0.000 0.283 94 G C -0.624 174.343 174.900 0.112 0.000 1.177 94 G CA -0.025 45.151 45.100 0.126 0.000 0.842 94 G HN 0.905 nan 8.290 nan 0.000 0.503 95 T N 1.686 116.307 114.554 0.112 0.000 2.977 95 T HA 0.206 4.556 4.350 -0.000 0.000 0.345 95 T C 1.036 175.792 174.700 0.094 0.000 1.562 95 T CA -0.688 61.470 62.100 0.097 0.000 1.090 95 T CB 1.175 70.109 68.868 0.110 0.000 1.383 95 T HN 0.201 nan 8.240 nan 0.000 0.484 96 M N 2.402 122.052 119.600 0.083 0.000 2.446 96 M HA 0.056 4.536 4.480 -0.000 0.000 0.263 96 M C 2.361 178.772 176.300 0.185 0.000 1.066 96 M CA 1.538 56.897 55.300 0.098 0.000 1.087 96 M CB -1.552 31.128 32.600 0.133 0.000 1.406 96 M HN 0.821 nan 8.290 nan 0.000 0.459 97 A N -0.671 122.243 122.820 0.156 0.000 2.019 97 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 97 A C 2.454 180.135 177.584 0.161 0.000 1.164 97 A CA 2.023 54.147 52.037 0.144 0.000 0.644 97 A CB -0.676 18.364 19.000 0.065 0.000 0.805 97 A HN 0.499 nan 8.150 nan 0.000 0.449 98 S N -0.491 115.304 115.700 0.158 0.000 2.355 98 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 98 S C 1.907 176.617 174.600 0.184 0.000 1.031 98 S CA 1.695 60.005 58.200 0.183 0.000 0.993 98 S CB -0.524 62.788 63.200 0.187 0.000 0.859 98 S HN 0.297 nan 8.310 nan 0.000 0.453 99 V N 2.180 122.171 119.914 0.128 0.000 2.295 99 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 99 V C 2.530 178.649 176.094 0.042 0.000 1.049 99 V CA 2.044 64.389 62.300 0.075 0.000 1.024 99 V CB -0.937 30.836 31.823 -0.083 0.000 0.648 99 V HN 0.610 nan 8.190 nan 0.000 0.447 100 H N -0.896 118.243 119.070 0.115 0.000 2.423 100 H HA -0.067 4.489 4.556 -0.000 0.000 0.297 100 H C 2.178 177.578 175.328 0.120 0.000 1.075 100 H CA 1.760 57.863 56.048 0.092 0.000 1.342 100 H CB -0.081 29.702 29.762 0.036 0.000 1.395 100 H HN 0.326 nan 8.280 nan 0.000 0.530 101 L N 1.138 122.514 121.223 0.255 0.000 2.046 101 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 101 L C 2.435 179.494 176.870 0.315 0.000 1.077 101 L CA 1.487 56.485 54.840 0.264 0.000 0.747 101 L CB -0.232 41.965 42.059 0.230 0.000 0.896 101 L HN -0.035 nan 8.230 nan 0.000 0.432 102 R N -0.377 120.309 120.500 0.311 0.000 2.073 102 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 102 R C 2.286 178.839 176.300 0.421 0.000 1.120 102 R CA 1.124 57.468 56.100 0.407 0.000 0.967 102 R CB -0.429 30.087 30.300 0.360 0.000 0.862 102 R HN 0.434 nan 8.270 nan 0.000 0.436 103 R N 0.199 120.866 120.500 0.279 0.000 2.280 103 R HA 0.041 4.381 4.340 -0.000 0.000 0.207 103 R C 1.765 178.133 176.300 0.114 0.000 1.043 103 R CA 0.826 57.066 56.100 0.234 0.000 1.006 103 R CB 0.017 30.417 30.300 0.167 0.000 0.885 103 R HN 0.120 nan 8.270 nan 0.000 0.467 104 A N -0.079 122.771 122.820 0.051 0.000 2.218 104 A HA 0.208 4.528 4.320 -0.000 0.000 0.209 104 A C 1.274 178.481 177.584 -0.628 0.000 1.168 104 A CA 0.851 52.830 52.037 -0.096 0.000 0.804 104 A CB 0.254 19.340 19.000 0.143 0.000 0.834 104 A HN 0.390 nan 8.150 nan 0.000 0.482 105 G N -2.322 105.967 108.800 -0.851 0.000 2.141 105 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.164 105 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.164 105 G C -0.343 173.503 174.900 -1.758 0.000 1.009 105 G CA 0.027 44.006 45.100 -1.869 0.000 0.677 105 G HN 0.476 nan 8.290 nan 0.000 0.508 106 Y N -0.484 119.600 120.300 -0.359 0.000 2.512 106 Y HA 0.621 5.171 4.550 -0.000 0.000 0.348 106 Y C 0.560 176.667 175.900 0.345 0.000 0.990 106 Y CA -1.274 56.838 58.100 0.021 0.000 1.033 106 Y CB 1.471 39.955 38.460 0.041 0.000 1.259 106 Y HN -0.053 nan 8.280 nan 0.000 0.461 107 D N 0.885 121.637 120.400 0.586 0.000 2.301 107 D HA 0.350 4.990 4.640 -0.000 0.000 0.206 107 D C 0.251 176.791 176.300 0.400 0.000 0.979 107 D CA 0.921 55.249 54.000 0.546 0.000 0.874 107 D CB 0.598 41.773 40.800 0.626 0.000 0.968 107 D HN 0.563 nan 8.370 nan 0.000 0.510 108 A N -0.157 122.874 122.820 0.351 0.000 2.599 108 A HA 0.601 4.920 4.320 -0.000 0.000 0.290 108 A C -2.133 175.565 177.584 0.190 0.000 1.101 108 A CA -0.651 51.539 52.037 0.256 0.000 0.674 108 A CB 1.231 20.346 19.000 0.191 0.000 1.277 108 A HN 0.036 nan 8.150 nan 0.000 0.419 109 L N 0.590 121.921 121.223 0.181 0.000 2.409 109 L HA 0.791 5.130 4.340 -0.000 0.000 0.272 109 L C -1.570 175.406 176.870 0.176 0.000 0.980 109 L CA -0.395 54.516 54.840 0.118 0.000 0.826 109 L CB 1.935 44.050 42.059 0.093 0.000 1.268 109 L HN 0.514 nan 8.230 nan 0.000 0.407 110 V N 5.717 125.684 119.914 0.087 0.000 2.409 110 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 110 V C -0.437 175.689 176.094 0.052 0.000 1.020 110 V CA -0.657 61.678 62.300 0.059 0.000 0.848 110 V CB 1.767 33.592 31.823 0.003 0.000 0.990 110 V HN 0.552 nan 8.190 nan 0.000 0.430 111 V N 5.541 125.500 119.914 0.075 0.000 2.398 111 V HA 0.572 4.692 4.120 -0.000 0.000 0.286 111 V C 0.057 176.162 176.094 0.019 0.000 1.026 111 V CA -0.477 61.862 62.300 0.064 0.000 0.868 111 V CB 1.494 33.398 31.823 0.135 0.000 0.982 111 V HN 1.061 nan 8.190 nan 0.000 0.443 112 E N 3.392 123.594 120.200 0.004 0.000 2.378 112 E HA 0.836 5.186 4.350 -0.000 0.000 0.265 112 E C 0.259 176.853 176.600 -0.010 0.000 0.932 112 E CA -0.337 56.054 56.400 -0.014 0.000 0.795 112 E CB 2.223 31.907 29.700 -0.028 0.000 1.296 112 E HN 1.085 nan 8.360 nan 0.000 0.438 113 G N 0.737 109.527 108.800 -0.017 0.000 2.642 113 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.231 113 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.231 113 G C -0.858 174.036 174.900 -0.010 0.000 1.338 113 G CA 0.155 45.244 45.100 -0.017 0.000 0.883 113 G HN 0.743 nan 8.290 nan 0.000 0.570 114 K N -0.613 119.778 120.400 -0.015 0.000 2.550 114 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 114 K C 0.219 176.803 176.600 -0.027 0.000 0.943 114 K CA -0.096 56.182 56.287 -0.015 0.000 0.806 114 K CB 1.435 33.923 32.500 -0.021 0.000 1.289 114 K HN 1.651 nan 8.250 nan 0.000 0.435 115 A N 2.700 125.502 122.820 -0.030 0.000 2.366 115 A HA 0.214 4.533 4.320 -0.000 0.000 0.249 115 A C 0.336 177.878 177.584 -0.070 0.000 1.084 115 A CA -0.067 51.943 52.037 -0.046 0.000 0.794 115 A CB 0.497 19.471 19.000 -0.043 0.000 1.034 115 A HN 0.801 nan 8.150 nan 0.000 0.491 116 K N -0.324 120.033 120.400 -0.072 0.000 2.365 116 K HA 0.047 4.367 4.320 -0.000 0.000 0.197 116 K C 0.392 176.922 176.600 -0.116 0.000 1.042 116 K CA 1.346 57.584 56.287 -0.081 0.000 0.987 116 K CB -0.040 32.422 32.500 -0.063 0.000 0.779 116 K HN 0.768 nan 8.250 nan 0.000 0.484 117 K N -2.123 118.195 120.400 -0.137 0.000 2.578 117 K HA 0.418 4.738 4.320 -0.000 0.000 0.287 117 K C -3.088 173.374 176.600 -0.230 0.000 1.010 117 K CA -2.165 54.004 56.287 -0.196 0.000 0.889 117 K CB 1.101 33.521 32.500 -0.134 0.000 1.514 117 K HN -0.412 nan 8.250 nan 0.000 0.424 118 P HA 0.002 nan 4.420 nan 0.000 0.264 118 P C -0.833 176.468 177.300 0.001 0.000 1.193 118 P CA -0.295 62.649 63.100 -0.259 0.000 0.763 118 P CB 0.715 32.261 31.700 -0.257 0.000 0.810 119 V N 1.774 121.746 119.914 0.095 0.000 3.181 119 V HA 0.817 4.936 4.120 -0.000 0.000 0.308 119 V C -1.455 174.801 176.094 0.270 0.000 1.214 119 V CA -1.190 61.196 62.300 0.143 0.000 1.053 119 V CB 2.008 33.855 31.823 0.041 0.000 1.069 119 V HN 0.504 nan 8.190 nan 0.000 0.441 120 Y N -0.148 120.202 120.300 0.083 0.000 2.545 120 Y HA 0.863 5.413 4.550 -0.000 0.000 0.348 120 Y C -0.931 175.011 175.900 0.069 0.000 1.002 120 Y CA -1.771 56.381 58.100 0.087 0.000 1.039 120 Y CB 1.643 40.167 38.460 0.108 0.000 1.271 120 Y HN 0.673 nan 8.280 nan 0.000 0.467 121 I N 3.866 124.519 120.570 0.138 0.000 2.342 121 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 121 I C -1.135 175.019 176.117 0.062 0.000 1.010 121 I CA -0.708 60.599 61.300 0.012 0.000 1.308 121 I CB 0.881 38.873 38.000 -0.013 0.000 1.400 121 I HN 0.720 nan 8.210 nan 0.000 0.488 122 Y N 7.839 128.041 120.300 -0.164 0.000 2.331 122 Y HA 0.656 5.206 4.550 -0.000 0.000 0.338 122 Y C -0.800 175.028 175.900 -0.120 0.000 0.992 122 Y CA -0.636 57.380 58.100 -0.141 0.000 1.121 122 Y CB 0.990 39.306 38.460 -0.240 0.000 1.184 122 Y HN 0.361 nan 8.280 nan 0.000 0.469 123 I N 6.167 126.462 120.570 -0.457 0.000 2.468 123 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 123 I C -1.102 174.763 176.117 -0.419 0.000 1.039 123 I CA -0.552 60.573 61.300 -0.291 0.000 1.074 123 I CB 1.975 39.874 38.000 -0.169 0.000 1.228 123 I HN 0.608 nan 8.210 nan 0.000 0.436 124 E N 6.694 126.762 120.200 -0.220 0.000 2.402 124 E HA 0.240 4.590 4.350 -0.000 0.000 0.244 124 E C -0.695 175.910 176.600 0.007 0.000 0.945 124 E CA -0.314 56.004 56.400 -0.138 0.000 0.774 124 E CB 0.681 30.341 29.700 -0.066 0.000 1.296 124 E HN 0.638 nan 8.360 nan 0.000 0.414 125 D N 2.420 122.835 120.400 0.025 0.000 3.927 125 D HA -0.277 4.363 4.640 -0.000 0.000 0.142 125 D C 0.286 176.626 176.300 0.066 0.000 0.830 125 D CA 1.795 55.801 54.000 0.009 0.000 1.091 125 D CB -0.453 40.337 40.800 -0.017 0.000 0.495 125 D HN 0.648 nan 8.370 nan 0.000 0.489 126 D N 0.732 121.151 120.400 0.031 0.000 2.348 126 D HA -0.024 4.615 4.640 -0.000 0.000 0.211 126 D C 0.586 176.941 176.300 0.091 0.000 0.998 126 D CA 0.157 54.200 54.000 0.071 0.000 0.873 126 D CB -0.295 40.512 40.800 0.011 0.000 0.925 126 D HN 0.125 nan 8.370 nan 0.000 0.524 127 N N 1.048 119.800 118.700 0.085 0.000 2.415 127 N HA 0.094 4.833 4.740 -0.000 0.000 0.246 127 N C -1.272 174.307 175.510 0.115 0.000 1.078 127 N CA 0.000 53.107 53.050 0.094 0.000 0.942 127 N CB 0.667 39.224 38.487 0.118 0.000 1.140 127 N HN -0.315 nan 8.380 nan 0.000 0.501 128 V N 2.319 122.279 119.914 0.076 0.000 2.487 128 V HA 0.582 4.701 4.120 -0.000 0.000 0.298 128 V C -0.394 175.717 176.094 0.028 0.000 1.028 128 V CA -0.652 61.676 62.300 0.046 0.000 0.860 128 V CB 1.579 33.385 31.823 -0.027 0.000 0.991 128 V HN 0.683 nan 8.190 nan 0.000 0.427 129 S N 4.456 120.176 115.700 0.032 0.000 2.595 129 S HA 0.704 5.174 4.470 -0.000 0.000 0.281 129 S C -0.762 173.785 174.600 -0.088 0.000 1.117 129 S CA -0.606 57.569 58.200 -0.043 0.000 0.873 129 S CB 2.085 65.228 63.200 -0.096 0.000 1.108 129 S HN 0.536 nan 8.310 nan 0.000 0.477 130 I N 2.574 123.080 120.570 -0.106 0.000 2.307 130 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 130 I C -0.933 175.075 176.117 -0.180 0.000 1.021 130 I CA -0.326 60.901 61.300 -0.123 0.000 1.224 130 I CB 0.542 38.499 38.000 -0.071 0.000 1.376 130 I HN 0.298 nan 8.210 nan 0.000 0.470 131 L N 4.494 125.524 121.223 -0.321 0.000 2.330 131 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 131 L C 0.507 177.283 176.870 -0.157 0.000 1.013 131 L CA -0.764 53.869 54.840 -0.345 0.000 0.816 131 L CB 1.804 43.438 42.059 -0.707 0.000 1.287 131 L HN 0.485 nan 8.230 nan 0.000 0.435 132 S N 0.877 116.559 115.700 -0.031 0.000 2.533 132 S HA 0.354 4.824 4.470 -0.000 0.000 0.282 132 S C 0.494 175.232 174.600 0.230 0.000 1.304 132 S CA 0.026 58.267 58.200 0.068 0.000 1.063 132 S CB 0.811 64.037 63.200 0.043 0.000 0.881 132 S HN 0.720 nan 8.310 nan 0.000 0.493 133 A N 4.559 127.521 122.820 0.236 0.000 2.631 133 A HA 0.334 4.654 4.320 -0.000 0.000 0.294 133 A C 1.373 179.074 177.584 0.195 0.000 1.156 133 A CA -0.441 51.769 52.037 0.287 0.000 0.963 133 A CB -0.039 19.173 19.000 0.353 0.000 1.202 133 A HN 0.895 nan 8.150 nan 0.000 0.523 134 E N 0.245 120.518 120.200 0.122 0.000 2.118 134 E HA -0.186 4.163 4.350 -0.000 0.000 0.195 134 E C 1.916 178.587 176.600 0.119 0.000 0.992 134 E CA 1.491 57.942 56.400 0.084 0.000 0.804 134 E CB -0.091 29.630 29.700 0.036 0.000 0.741 134 E HN 0.614 nan 8.360 nan 0.000 0.458 135 G N 0.788 109.653 108.800 0.107 0.000 2.484 135 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 135 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 135 G C 1.608 176.569 174.900 0.101 0.000 1.130 135 G CA 0.069 45.223 45.100 0.090 0.000 0.784 135 G HN 0.094 nan 8.290 nan 0.000 0.543 136 L N -1.007 120.291 121.223 0.125 0.000 2.249 136 L HA 0.209 4.549 4.340 -0.000 0.000 0.207 136 L C 1.427 178.389 176.870 0.153 0.000 1.090 136 L CA -0.473 54.429 54.840 0.103 0.000 0.802 136 L CB -0.101 41.996 42.059 0.064 0.000 0.947 136 L HN 0.239 nan 8.230 nan 0.000 0.453 137 W N 2.027 123.339 121.300 0.019 0.000 2.443 137 W HA 0.075 4.734 4.660 -0.000 0.000 0.335 137 W C 0.970 177.503 176.519 0.023 0.000 1.382 137 W CA 1.651 59.009 57.345 0.021 0.000 1.305 137 W CB 0.355 29.831 29.460 0.026 0.000 1.283 137 W HN 0.363 nan 8.180 nan 0.000 0.567 138 G N 3.741 112.381 108.800 -0.267 0.000 2.259 138 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 138 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 138 G C 0.275 175.123 174.900 -0.086 0.000 1.001 138 G CA -0.191 44.823 45.100 -0.143 0.000 0.627 138 G HN 0.447 nan 8.290 nan 0.000 0.501 139 K N 1.921 122.277 120.400 -0.074 0.000 2.202 139 K HA 0.510 4.830 4.320 -0.000 0.000 0.264 139 K C 1.243 177.783 176.600 -0.101 0.000 1.010 139 K CA 0.264 56.519 56.287 -0.053 0.000 0.940 139 K CB 0.703 33.191 32.500 -0.021 0.000 0.983 139 K HN 0.387 nan 8.250 nan 0.000 0.475 140 T N -1.809 112.691 114.554 -0.090 0.000 2.734 140 T HA -0.068 4.282 4.350 -0.000 0.000 0.314 140 T C 1.616 176.244 174.700 -0.120 0.000 1.057 140 T CA 0.081 62.086 62.100 -0.159 0.000 1.047 140 T CB 0.692 69.429 68.868 -0.219 0.000 0.991 140 T HN 0.756 nan 8.240 nan 0.000 0.540 141 T N -0.559 113.897 114.554 -0.162 0.000 2.746 141 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 141 T C 1.657 176.456 174.700 0.164 0.000 1.039 141 T CA 0.923 63.012 62.100 -0.018 0.000 1.142 141 T CB -0.674 68.195 68.868 0.002 0.000 0.866 141 T HN 0.497 nan 8.240 nan 0.000 0.444 142 F N 2.333 122.270 119.950 -0.022 0.000 2.069 142 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 142 F C 2.697 178.486 175.800 -0.018 0.000 1.113 142 F CA 1.019 59.011 58.000 -0.014 0.000 1.214 142 F CB -1.518 37.477 39.000 -0.009 0.000 0.978 142 F HN 0.240 nan 8.300 nan 0.000 0.474 143 E N 0.175 120.481 120.200 0.177 0.000 2.106 143 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 143 E C 2.062 178.685 176.600 0.039 0.000 0.984 143 E CA 1.803 58.253 56.400 0.083 0.000 0.806 143 E CB -0.470 29.257 29.700 0.045 0.000 0.750 143 E HN 0.277 nan 8.360 nan 0.000 0.458 144 T N 0.190 114.758 114.554 0.025 0.000 2.708 144 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 144 T C 1.742 176.434 174.700 -0.013 0.000 1.037 144 T CA 1.514 63.608 62.100 -0.011 0.000 1.146 144 T CB -0.310 68.543 68.868 -0.025 0.000 0.865 144 T HN 0.348 nan 8.240 nan 0.000 0.435 145 E N 0.919 121.134 120.200 0.024 0.000 2.072 145 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 145 E C 2.429 179.035 176.600 0.011 0.000 0.985 145 E CA 0.763 57.174 56.400 0.019 0.000 0.801 145 E CB -0.032 29.695 29.700 0.045 0.000 0.750 145 E HN 0.290 nan 8.360 nan 0.000 0.452 146 R N 0.510 121.024 120.500 0.023 0.000 2.083 146 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 146 R C 2.055 178.351 176.300 -0.007 0.000 1.137 146 R CA 1.959 58.066 56.100 0.011 0.000 0.951 146 R CB -0.099 30.216 30.300 0.024 0.000 0.851 146 R HN 0.274 nan 8.270 nan 0.000 0.434 147 E N 0.258 120.449 120.200 -0.016 0.000 2.106 147 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 147 E C 2.129 178.685 176.600 -0.072 0.000 0.984 147 E CA 1.120 57.496 56.400 -0.039 0.000 0.806 147 E CB -0.051 29.626 29.700 -0.038 0.000 0.750 147 E HN 0.358 nan 8.360 nan 0.000 0.458 148 L N 0.810 121.987 121.223 -0.076 0.000 2.093 148 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 148 L C 2.319 179.179 176.870 -0.017 0.000 1.085 148 L CA 1.170 55.964 54.840 -0.078 0.000 0.755 148 L CB -0.162 41.856 42.059 -0.067 0.000 0.904 148 L HN 0.012 nan 8.230 nan 0.000 0.435 149 K N -0.605 119.796 120.400 0.001 0.000 2.228 149 K HA -0.097 4.222 4.320 -0.000 0.000 0.202 149 K C 1.910 178.507 176.600 -0.004 0.000 1.051 149 K CA 0.546 56.846 56.287 0.023 0.000 0.960 149 K CB 0.107 32.618 32.500 0.019 0.000 0.743 149 K HN 0.151 nan 8.250 nan 0.000 0.458 150 E N 0.612 120.794 120.200 -0.031 0.000 2.268 150 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 150 E C 1.730 178.292 176.600 -0.064 0.000 0.995 150 E CA 0.773 57.152 56.400 -0.035 0.000 0.836 150 E CB 0.173 29.853 29.700 -0.032 0.000 0.763 150 E HN 0.247 nan 8.360 nan 0.000 0.491 151 I N 0.004 120.493 120.570 -0.135 0.000 2.499 151 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 151 I C 1.981 177.988 176.117 -0.183 0.000 1.085 151 I CA 0.982 62.141 61.300 -0.235 0.000 1.422 151 I CB -1.259 36.448 38.000 -0.489 0.000 1.165 151 I HN 0.115 nan 8.210 nan 0.000 0.440 152 H N 1.167 120.284 119.070 0.079 0.000 2.548 152 H HA 0.377 4.933 4.556 -0.000 0.000 0.268 152 H C 1.023 176.392 175.328 0.068 0.000 0.975 152 H CA 0.844 56.958 56.048 0.110 0.000 1.195 152 H CB 0.069 29.947 29.762 0.194 0.000 1.397 152 H HN 0.396 nan 8.280 nan 0.000 0.572 153 G N 0.748 109.622 108.800 0.123 0.000 2.570 153 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G C 0.379 175.314 174.900 0.060 0.000 1.257 153 G CA -0.270 44.877 45.100 0.078 0.000 0.846 153 G HN 0.195 nan 8.290 nan 0.000 0.627 154 K N -0.100 120.324 120.400 0.041 0.000 2.148 154 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 154 K C 1.258 177.880 176.600 0.036 0.000 1.050 154 K CA 1.281 57.587 56.287 0.032 0.000 0.942 154 K CB -0.061 32.455 32.500 0.026 0.000 0.724 154 K HN 0.330 nan 8.250 nan 0.000 0.446 155 N N 1.294 120.017 118.700 0.040 0.000 3.115 155 N HA 0.002 4.742 4.740 -0.000 0.000 0.305 155 N C -1.053 174.414 175.510 -0.071 0.000 1.305 155 N CA 0.051 53.132 53.050 0.052 0.000 1.154 155 N CB 0.093 38.623 38.487 0.073 0.000 1.454 155 N HN 0.036 nan 8.380 nan 0.000 0.551 156 V N -3.877 115.973 119.914 -0.107 0.000 3.007 156 V HA 0.896 5.016 4.120 -0.000 0.000 0.311 156 V C 0.396 176.413 176.094 -0.128 0.000 1.120 156 V CA -1.310 60.795 62.300 -0.324 0.000 0.980 156 V CB 1.618 33.329 31.823 -0.187 0.000 1.033 156 V HN 0.048 nan 8.190 nan 0.000 0.429 157 G N 1.113 109.838 108.800 -0.125 0.000 2.343 157 G HA2 0.624 4.584 3.960 -0.000 0.000 0.319 157 G HA3 0.624 4.584 3.960 -0.000 0.000 0.319 157 G C -0.973 173.922 174.900 -0.008 0.000 1.126 157 G CA -0.632 44.508 45.100 0.067 0.000 0.889 157 G HN 1.081 nan 8.290 nan 0.000 0.457 158 V N 3.219 123.141 119.914 0.013 0.000 2.588 158 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 158 V C -0.172 175.931 176.094 0.015 0.000 1.042 158 V CA -0.670 61.631 62.300 0.002 0.000 0.877 158 V CB 1.624 33.453 31.823 0.010 0.000 0.996 158 V HN 0.621 nan 8.190 nan 0.000 0.425 159 L N 4.694 125.913 121.223 -0.006 0.000 2.341 159 L HA 0.865 5.205 4.340 -0.000 0.000 0.278 159 L C 0.190 177.083 176.870 0.037 0.000 1.005 159 L CA -0.204 54.651 54.840 0.024 0.000 0.818 159 L CB 2.249 44.293 42.059 -0.024 0.000 1.259 159 L HN 0.885 nan 8.230 nan 0.000 0.418 160 T N 0.160 114.751 114.554 0.061 0.000 2.838 160 T HA 0.807 5.157 4.350 -0.000 0.000 0.292 160 T C -0.566 174.156 174.700 0.038 0.000 1.113 160 T CA -0.782 61.344 62.100 0.044 0.000 1.008 160 T CB 2.030 70.911 68.868 0.021 0.000 1.259 160 T HN 0.499 nan 8.240 nan 0.000 0.520 161 I N -1.657 118.907 120.570 -0.010 0.000 2.892 161 I HA 0.925 5.095 4.170 -0.000 0.000 0.306 161 I C 0.240 176.268 176.117 -0.149 0.000 1.078 161 I CA -1.297 59.965 61.300 -0.063 0.000 1.032 161 I CB 1.865 39.821 38.000 -0.073 0.000 1.229 161 I HN 0.929 nan 8.210 nan 0.000 0.435 162 G N 2.044 110.728 108.800 -0.192 0.000 2.887 162 G HA2 0.559 4.519 3.960 -0.000 0.000 0.277 162 G HA3 0.559 4.519 3.960 -0.000 0.000 0.277 162 G C -2.359 172.331 174.900 -0.349 0.000 1.346 162 G CA -1.608 43.338 45.100 -0.257 0.000 1.058 162 G HN 0.450 nan 8.290 nan 0.000 0.535 163 P HA -0.104 nan 4.420 nan 0.000 0.218 163 P C 1.940 178.991 177.300 -0.416 0.000 1.146 163 P CA 2.057 64.886 63.100 -0.451 0.000 0.813 163 P CB 0.192 31.545 31.700 -0.578 0.000 0.778 164 A N -0.379 122.216 122.820 -0.375 0.000 1.898 164 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 164 A C 2.460 179.905 177.584 -0.232 0.000 1.181 164 A CA 1.997 53.856 52.037 -0.297 0.000 0.620 164 A CB -1.773 17.078 19.000 -0.248 0.000 0.819 164 A HN 0.282 nan 8.150 nan 0.000 0.442 165 G N -0.390 108.282 108.800 -0.214 0.000 2.402 165 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 165 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 165 G C 1.381 176.189 174.900 -0.152 0.000 1.162 165 G CA 0.908 45.914 45.100 -0.155 0.000 0.777 165 G HN 0.645 nan 8.290 nan 0.000 0.539 166 E N 0.685 120.712 120.200 -0.288 0.000 2.160 166 E HA -0.084 4.265 4.350 -0.000 0.000 0.195 166 E C 1.593 178.180 176.600 -0.022 0.000 0.991 166 E CA 0.763 56.988 56.400 -0.292 0.000 0.810 166 E CB -0.010 29.204 29.700 -0.810 0.000 0.742 166 E HN 0.312 nan 8.360 nan 0.000 0.466 167 N N 0.353 118.994 118.700 -0.099 0.000 2.322 167 N HA 0.083 4.822 4.740 -0.000 0.000 0.194 167 N C -0.032 175.443 175.510 -0.058 0.000 1.126 167 N CA 0.211 53.232 53.050 -0.048 0.000 0.845 167 N CB 0.539 38.976 38.487 -0.083 0.000 0.976 167 N HN 0.111 nan 8.380 nan 0.000 0.475 168 L N -0.316 120.868 121.223 -0.064 0.000 3.717 168 L HA -0.190 4.150 4.340 -0.000 0.000 0.414 168 L C -0.410 176.381 176.870 -0.132 0.000 1.228 168 L CA -0.085 54.712 54.840 -0.072 0.000 0.918 168 L CB -2.295 39.745 42.059 -0.032 0.000 1.865 168 L HN -0.142 nan 8.230 nan 0.000 0.922 169 V N 1.451 121.244 119.914 -0.201 0.000 2.540 169 V HA -0.023 4.096 4.120 -0.000 0.000 0.297 169 V C 1.902 177.783 176.094 -0.355 0.000 1.024 169 V CA 0.084 62.181 62.300 -0.338 0.000 1.105 169 V CB 1.259 32.821 31.823 -0.436 0.000 0.938 169 V HN 0.304 nan 8.190 nan 0.000 0.482 170 K N 4.619 124.808 120.400 -0.352 0.000 2.218 170 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 170 K C 1.011 177.555 176.600 -0.093 0.000 1.046 170 K CA 1.629 57.809 56.287 -0.177 0.000 0.933 170 K CB -0.310 32.151 32.500 -0.065 0.000 0.728 170 K HN 0.957 nan 8.250 nan 0.000 0.454 171 Y N -1.341 118.949 120.300 -0.017 0.000 2.751 171 Y HA 0.614 5.163 4.550 -0.000 0.000 0.289 171 Y C 0.274 176.166 175.900 -0.013 0.000 1.110 171 Y CA -1.245 56.852 58.100 -0.006 0.000 1.251 171 Y CB -0.448 38.013 38.460 0.001 0.000 1.178 171 Y HN -0.159 nan 8.280 nan 0.000 0.540 172 A N 1.482 124.252 122.820 -0.083 0.000 2.425 172 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 172 A C 0.397 177.986 177.584 0.009 0.000 1.084 172 A CA 0.071 52.071 52.037 -0.061 0.000 0.781 172 A CB 0.116 19.046 19.000 -0.117 0.000 1.019 172 A HN 0.633 nan 8.150 nan 0.000 0.490 173 V N 0.268 120.197 119.914 0.026 0.000 3.181 173 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 173 V C -0.083 176.039 176.094 0.047 0.000 1.173 173 V CA -0.865 61.465 62.300 0.050 0.000 1.052 173 V CB 1.348 33.218 31.823 0.078 0.000 1.123 173 V HN 0.628 nan 8.190 nan 0.000 0.454 174 V N 2.378 122.340 119.914 0.080 0.000 2.472 174 V HA 0.518 4.638 4.120 -0.000 0.000 0.290 174 V C -0.219 175.941 176.094 0.110 0.000 1.037 174 V CA -0.343 62.023 62.300 0.110 0.000 0.908 174 V CB 1.198 33.131 31.823 0.184 0.000 0.985 174 V HN 0.635 nan 8.190 nan 0.000 0.454 175 I N 3.252 123.882 120.570 0.101 0.000 2.603 175 I HA 0.599 4.769 4.170 -0.000 0.000 0.300 175 I C -0.020 176.166 176.117 0.115 0.000 1.017 175 I CA -0.092 61.276 61.300 0.113 0.000 1.098 175 I CB 1.951 40.021 38.000 0.117 0.000 1.279 175 I HN 0.661 nan 8.210 nan 0.000 0.437 176 S N 3.496 119.265 115.700 0.115 0.000 2.540 176 S HA 0.385 4.855 4.470 -0.000 0.000 0.275 176 S C -0.800 173.843 174.600 0.073 0.000 1.123 176 S CA -0.300 57.955 58.200 0.092 0.000 0.907 176 S CB 1.104 64.358 63.200 0.089 0.000 1.081 176 S HN 0.641 nan 8.310 nan 0.000 0.476 177 Q N 2.221 122.046 119.800 0.043 0.000 2.434 177 Q HA -0.174 4.166 4.340 -0.000 0.000 0.299 177 Q C -0.729 175.229 176.000 -0.070 0.000 1.286 177 Q CA 1.193 56.990 55.803 -0.010 0.000 0.872 177 Q CB -1.694 27.043 28.738 -0.001 0.000 1.193 177 Q HN 0.851 nan 8.270 nan 0.000 0.466 178 E N -2.442 117.706 120.200 -0.087 0.000 2.246 178 E HA -0.290 4.060 4.350 -0.000 0.000 0.173 178 E C 0.872 177.404 176.600 -0.114 0.000 1.532 178 E CA 0.552 56.758 56.400 -0.322 0.000 0.672 178 E CB -1.559 27.547 29.700 -0.990 0.000 1.078 178 E HN 0.868 nan 8.360 nan 0.000 0.338 179 G N 0.462 109.317 108.800 0.092 0.000 3.382 179 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 179 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 179 G C -0.123 174.828 174.900 0.086 0.000 1.025 179 G CA -0.680 44.468 45.100 0.079 0.000 0.869 179 G HN 0.115 nan 8.290 nan 0.000 0.458 180 R N 1.455 122.005 120.500 0.083 0.000 2.340 180 R HA 0.814 5.154 4.340 -0.000 0.000 0.300 180 R C 0.112 176.478 176.300 0.111 0.000 1.069 180 R CA 0.308 56.464 56.100 0.092 0.000 0.984 180 R CB 0.811 31.163 30.300 0.087 0.000 1.003 180 R HN 0.790 nan 8.270 nan 0.000 0.459 181 A N 1.072 123.961 122.820 0.114 0.000 2.454 181 A HA 0.879 5.199 4.320 -0.000 0.000 0.302 181 A C -1.189 176.471 177.584 0.126 0.000 1.079 181 A CA -0.456 51.652 52.037 0.118 0.000 0.731 181 A CB 1.964 21.031 19.000 0.111 0.000 1.299 181 A HN 0.726 nan 8.150 nan 0.000 0.413 182 A N -0.105 122.789 122.820 0.124 0.000 2.520 182 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 182 A C 0.312 177.957 177.584 0.101 0.000 1.051 182 A CA 0.066 52.176 52.037 0.123 0.000 0.690 182 A CB 0.991 20.069 19.000 0.129 0.000 1.281 182 A HN 2.779 nan 8.150 nan 0.000 0.402 183 G N 1.524 110.384 108.800 0.101 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 0.599 175.555 174.900 0.093 0.000 1.105 183 G CA 0.308 45.451 45.100 0.072 0.000 0.861 183 G HN 0.949 nan 8.290 nan 0.000 0.493 184 R N -0.263 120.319 120.500 0.136 0.000 2.119 184 R HA -0.155 4.185 4.340 -0.000 0.000 0.246 184 R C -0.849 175.537 176.300 0.144 0.000 1.146 184 R CA 1.843 58.028 56.100 0.141 0.000 0.962 184 R CB -0.662 29.719 30.300 0.134 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 0.263 185 P C -0.068 177.269 177.300 0.063 0.000 1.386 185 P CA 0.872 64.040 63.100 0.114 0.000 0.797 185 P CB 0.212 31.975 31.700 0.104 0.000 1.381 186 G N -0.946 107.891 108.800 0.061 0.000 2.140 186 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.211 186 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.211 186 G C 0.857 175.745 174.900 -0.019 0.000 1.013 186 G CA -0.068 45.041 45.100 0.016 0.000 0.705 186 G HN 0.053 nan 8.290 nan 0.000 0.508 187 M N 0.317 119.904 119.600 -0.021 0.000 2.213 187 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 187 M C 2.572 178.857 176.300 -0.025 0.000 1.062 187 M CA 1.967 57.234 55.300 -0.055 0.000 1.105 187 M CB -1.455 31.104 32.600 -0.070 0.000 1.385 187 M HN 0.457 nan 8.290 nan 0.000 0.417 188 G N -0.208 108.590 108.800 -0.002 0.000 2.422 188 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 188 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 188 G C 1.657 176.549 174.900 -0.015 0.000 1.140 188 G CA 0.963 46.064 45.100 0.002 0.000 0.775 188 G HN 0.542 nan 8.290 nan 0.000 0.545 189 A N 0.057 122.859 122.820 -0.031 0.000 1.970 189 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 189 A C 2.517 180.095 177.584 -0.010 0.000 1.170 189 A CA 1.380 53.396 52.037 -0.035 0.000 0.645 189 A CB -0.314 18.651 19.000 -0.058 0.000 0.816 189 A HN 0.205 nan 8.150 nan 0.000 0.447 190 V N -0.329 119.574 119.914 -0.018 0.000 2.358 190 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 190 V C 2.549 178.654 176.094 0.020 0.000 1.047 190 V CA 2.183 64.473 62.300 -0.017 0.000 1.035 190 V CB -0.633 31.158 31.823 -0.054 0.000 0.658 190 V HN 0.706 nan 8.190 nan 0.000 0.452 191 M N 0.573 120.195 119.600 0.038 0.000 2.086 191 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 191 M C 2.039 178.420 176.300 0.134 0.000 1.067 191 M CA 2.312 57.672 55.300 0.101 0.000 1.116 191 M CB -0.603 32.075 32.600 0.131 0.000 1.348 191 M HN 0.369 nan 8.290 nan 0.000 0.407 192 G N -0.723 108.145 108.800 0.112 0.000 2.422 192 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 192 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 192 G C 1.482 176.509 174.900 0.212 0.000 1.146 192 G CA 1.076 46.292 45.100 0.194 0.000 0.769 192 G HN 0.633 nan 8.290 nan 0.000 0.547 193 S N 0.244 116.008 115.700 0.107 0.000 2.469 193 S HA 0.015 4.485 4.470 -0.000 0.000 0.238 193 S C 1.826 176.461 174.600 0.058 0.000 0.998 193 S CA 1.159 59.400 58.200 0.069 0.000 0.957 193 S CB -0.100 63.116 63.200 0.026 0.000 0.764 193 S HN 0.444 nan 8.310 nan 0.000 0.514 194 K N 0.758 121.204 120.400 0.077 0.000 2.374 194 K HA 0.243 4.563 4.320 -0.000 0.000 0.196 194 K C -0.122 176.510 176.600 0.053 0.000 1.023 194 K CA -0.126 56.193 56.287 0.053 0.000 1.103 194 K CB 0.067 32.603 32.500 0.061 0.000 0.848 194 K HN 0.272 nan 8.250 nan 0.000 0.528 195 K N 0.883 121.340 120.400 0.094 0.000 3.129 195 K HA -0.174 4.146 4.320 -0.000 0.000 0.273 195 K C -0.649 176.041 176.600 0.150 0.000 1.123 195 K CA 0.185 56.473 56.287 0.003 0.000 0.800 195 K CB -1.273 31.083 32.500 -0.241 0.000 1.238 195 K HN 0.075 nan 8.250 nan 0.000 0.492 196 L N 0.796 122.171 121.223 0.253 0.000 2.259 196 L HA 0.199 4.539 4.340 -0.000 0.000 0.288 196 L C 1.040 178.104 176.870 0.323 0.000 1.051 196 L CA 0.087 55.075 54.840 0.246 0.000 0.824 196 L CB 1.264 43.437 42.059 0.191 0.000 1.206 196 L HN -0.013 nan 8.230 nan 0.000 0.429 197 K N 4.143 124.759 120.400 0.360 0.000 2.186 197 K HA 0.490 4.809 4.320 -0.000 0.000 0.202 197 K C 0.024 176.717 176.600 0.156 0.000 1.052 197 K CA 1.078 57.539 56.287 0.289 0.000 0.965 197 K CB 0.334 33.053 32.500 0.366 0.000 0.746 197 K HN 0.698 nan 8.250 nan 0.000 0.457 198 A N -1.177 121.749 122.820 0.178 0.000 2.586 198 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 198 A C -1.719 175.943 177.584 0.131 0.000 1.086 198 A CA -0.690 51.412 52.037 0.110 0.000 0.665 198 A CB 1.488 20.503 19.000 0.026 0.000 1.279 198 A HN -0.137 nan 8.150 nan 0.000 0.423 199 V N 0.575 120.510 119.914 0.035 0.000 2.569 199 V HA 0.543 4.662 4.120 -0.000 0.000 0.301 199 V C -0.870 175.210 176.094 -0.023 0.000 1.044 199 V CA -0.522 61.762 62.300 -0.028 0.000 0.874 199 V CB 1.572 33.230 31.823 -0.276 0.000 1.002 199 V HN 0.791 nan 8.190 nan 0.000 0.424 200 V N 6.509 126.439 119.914 0.026 0.000 2.384 200 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 200 V C -0.298 175.656 176.094 -0.234 0.000 1.020 200 V CA -0.332 61.937 62.300 -0.053 0.000 0.850 200 V CB 1.630 33.498 31.823 0.074 0.000 0.987 200 V HN 0.701 nan 8.190 nan 0.000 0.436 201 I N 4.946 125.372 120.570 -0.239 0.000 2.582 201 I HA 0.671 4.841 4.170 -0.000 0.000 0.292 201 I C -0.337 175.555 176.117 -0.375 0.000 1.066 201 I CA -0.742 60.406 61.300 -0.254 0.000 1.053 201 I CB 2.308 40.259 38.000 -0.081 0.000 1.241 201 I HN 0.536 nan 8.210 nan 0.000 0.421 202 R N 3.327 123.623 120.500 -0.340 0.000 2.621 202 R HA 0.756 5.096 4.340 -0.000 0.000 0.284 202 R C -1.209 175.098 176.300 0.011 0.000 0.998 202 R CA -0.515 55.370 56.100 -0.358 0.000 0.895 202 R CB 2.412 32.514 30.300 -0.331 0.000 1.195 202 R HN 0.899 nan 8.270 nan 0.000 0.450 203 G N 0.213 109.201 108.800 0.315 0.000 2.591 203 G HA2 0.386 4.346 3.960 -0.000 0.000 0.306 203 G HA3 0.386 4.346 3.960 -0.000 0.000 0.306 203 G C 0.158 175.171 174.900 0.190 0.000 1.334 203 G CA -0.325 44.903 45.100 0.212 0.000 0.981 203 G HN 0.604 nan 8.290 nan 0.000 0.491 204 T N -1.941 112.679 114.554 0.110 0.000 3.041 204 T HA 0.295 4.645 4.350 -0.000 0.000 0.276 204 T C 0.644 175.400 174.700 0.092 0.000 0.948 204 T CA -0.139 62.021 62.100 0.099 0.000 0.885 204 T CB 0.086 68.999 68.868 0.076 0.000 1.175 204 T HN 0.387 nan 8.240 nan 0.000 0.529 205 K N 1.900 122.356 120.400 0.093 0.000 2.276 205 K HA 0.298 4.618 4.320 -0.000 0.000 0.259 205 K C -0.318 176.400 176.600 0.197 0.000 1.001 205 K CA -0.051 56.314 56.287 0.130 0.000 0.927 205 K CB 0.575 33.133 32.500 0.097 0.000 0.969 205 K HN 0.434 nan 8.250 nan 0.000 0.490 206 E N 1.954 122.270 120.200 0.194 0.000 2.167 206 E HA 0.157 4.507 4.350 -0.000 0.000 0.284 206 E C -0.504 176.204 176.600 0.180 0.000 1.016 206 E CA -0.290 56.199 56.400 0.148 0.000 0.817 206 E CB 0.761 30.517 29.700 0.093 0.000 1.080 206 E HN 0.310 nan 8.360 nan 0.000 0.397 207 I N 5.640 126.257 120.570 0.079 0.000 2.396 207 I HA 0.120 4.290 4.170 -0.000 0.000 0.289 207 I C -1.786 174.191 176.117 -0.233 0.000 1.056 207 I CA -2.086 59.096 61.300 -0.198 0.000 1.365 207 I CB 0.320 38.205 38.000 -0.191 0.000 1.407 207 I HN 0.267 nan 8.210 nan 0.000 0.509 208 P HA 0.053 nan 4.420 nan 0.000 0.265 208 P C -0.629 176.668 177.300 -0.005 0.000 1.222 208 P CA 0.102 63.137 63.100 -0.108 0.000 0.767 208 P CB 0.767 32.359 31.700 -0.180 0.000 0.801 209 V N 3.782 123.713 119.914 0.029 0.000 2.459 209 V HA 0.309 4.429 4.120 -0.000 0.000 0.295 209 V C 1.540 177.487 176.094 -0.246 0.000 1.029 209 V CA -0.142 62.102 62.300 -0.094 0.000 0.874 209 V CB 1.346 33.078 31.823 -0.152 0.000 0.985 209 V HN 0.613 nan 8.190 nan 0.000 0.438 210 A N 3.150 125.668 122.820 -0.504 0.000 1.933 210 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 210 A C 1.024 178.301 177.584 -0.513 0.000 1.175 210 A CA 1.747 53.228 52.037 -0.926 0.000 0.628 210 A CB -0.070 18.499 19.000 -0.718 0.000 0.814 210 A HN 0.779 nan 8.150 nan 0.000 0.444 211 D N -1.439 118.765 120.400 -0.327 0.000 2.364 211 D HA 0.226 4.866 4.640 -0.000 0.000 0.251 211 D C 0.563 176.753 176.300 -0.184 0.000 1.282 211 D CA -0.336 53.527 54.000 -0.230 0.000 0.927 211 D CB 0.366 41.045 40.800 -0.203 0.000 1.267 211 D HN 0.139 nan 8.370 nan 0.000 0.531 212 K N 0.684 120.991 120.400 -0.156 0.000 2.074 212 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 212 K C 1.284 177.816 176.600 -0.113 0.000 1.048 212 K CA 0.964 57.176 56.287 -0.126 0.000 0.926 212 K CB 0.389 32.834 32.500 -0.091 0.000 0.713 212 K HN 0.345 nan 8.250 nan 0.000 0.444 213 E N 0.663 120.803 120.200 -0.100 0.000 2.106 213 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 213 E C 1.991 178.536 176.600 -0.092 0.000 0.984 213 E CA 0.841 57.190 56.400 -0.084 0.000 0.806 213 E CB 0.046 29.705 29.700 -0.068 0.000 0.750 213 E HN 0.220 nan 8.360 nan 0.000 0.458 214 E N 0.713 120.847 120.200 -0.109 0.000 2.072 214 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 214 E C 2.189 178.709 176.600 -0.132 0.000 0.985 214 E CA 0.306 56.639 56.400 -0.112 0.000 0.801 214 E CB -0.327 29.299 29.700 -0.124 0.000 0.750 214 E HN 0.143 nan 8.360 nan 0.000 0.452 215 L N 1.886 123.011 121.223 -0.164 0.000 1.990 215 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 215 L C 2.336 179.096 176.870 -0.182 0.000 1.072 215 L CA 2.198 56.914 54.840 -0.206 0.000 0.755 215 L CB -0.602 41.320 42.059 -0.229 0.000 0.889 215 L HN -0.011 nan 8.230 nan 0.000 0.432 216 K N -0.598 119.719 120.400 -0.138 0.000 2.097 216 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 216 K C 2.339 178.890 176.600 -0.082 0.000 1.049 216 K CA 1.691 57.917 56.287 -0.103 0.000 0.933 216 K CB -0.171 32.285 32.500 -0.074 0.000 0.717 216 K HN 0.406 nan 8.250 nan 0.000 0.442 217 K N 0.774 121.128 120.400 -0.077 0.000 2.001 217 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 217 K C 2.178 178.750 176.600 -0.047 0.000 1.048 217 K CA 1.146 57.403 56.287 -0.051 0.000 0.932 217 K CB -0.113 32.359 32.500 -0.046 0.000 0.715 217 K HN 0.145 nan 8.250 nan 0.000 0.437 218 L N 0.890 122.074 121.223 -0.065 0.000 2.042 218 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 218 L C 2.528 179.311 176.870 -0.145 0.000 1.076 218 L CA 1.247 56.072 54.840 -0.026 0.000 0.749 218 L CB -0.337 41.691 42.059 -0.050 0.000 0.893 218 L HN 0.194 nan 8.230 nan 0.000 0.432 219 S N -0.874 114.685 115.700 -0.234 0.000 2.368 219 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 219 S C 1.887 176.292 174.600 -0.324 0.000 1.030 219 S CA 1.234 59.200 58.200 -0.390 0.000 0.999 219 S CB -0.190 62.809 63.200 -0.335 0.000 0.844 219 S HN 0.342 nan 8.310 nan 0.000 0.459 220 Q N 1.475 121.220 119.800 -0.091 0.000 2.124 220 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 220 Q C 1.828 177.828 176.000 0.000 0.000 0.977 220 Q CA 1.596 57.423 55.803 0.039 0.000 0.850 220 Q CB -0.313 28.448 28.738 0.039 0.000 0.901 220 Q HN 0.598 nan 8.270 nan 0.000 0.429 221 E N -0.532 119.647 120.200 -0.034 0.000 2.031 221 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 221 E C 1.887 178.421 176.600 -0.111 0.000 0.994 221 E CA 1.059 57.472 56.400 0.021 0.000 0.800 221 E CB -0.274 29.539 29.700 0.188 0.000 0.752 221 E HN 0.470 nan 8.360 nan 0.000 0.447 222 A N 0.769 123.296 122.820 -0.490 0.000 1.883 222 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 222 A C 1.963 179.344 177.584 -0.337 0.000 1.186 222 A CA 1.491 53.026 52.037 -0.838 0.000 0.624 222 A CB -0.891 17.394 19.000 -1.191 0.000 0.822 222 A HN 0.259 nan 8.150 nan 0.000 0.444 223 Y N 0.389 120.577 120.300 -0.186 0.000 2.128 223 Y HA -0.207 4.342 4.550 -0.000 0.000 0.284 223 Y C 2.480 178.335 175.900 -0.074 0.000 1.154 223 Y CA 1.547 59.595 58.100 -0.087 0.000 1.149 223 Y CB -0.840 37.588 38.460 -0.054 0.000 0.976 223 Y HN 0.332 nan 8.280 nan 0.000 0.505 224 N N -0.012 118.744 118.700 0.094 0.000 2.120 224 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 224 N C 1.904 177.421 175.510 0.012 0.000 1.024 224 N CA 1.429 54.499 53.050 0.034 0.000 0.852 224 N CB -0.373 38.133 38.487 0.032 0.000 1.003 224 N HN 0.502 nan 8.380 nan 0.000 0.424 225 E N 0.288 120.501 120.200 0.022 0.000 2.077 225 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 225 E C 1.840 178.467 176.600 0.045 0.000 0.989 225 E CA 0.849 57.278 56.400 0.049 0.000 0.800 225 E CB -0.083 29.674 29.700 0.095 0.000 0.746 225 E HN 0.327 nan 8.360 nan 0.000 0.452 226 I N 0.685 121.281 120.570 0.043 0.000 2.142 226 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 226 I C 2.435 178.561 176.117 0.016 0.000 1.078 226 I CA 0.981 62.338 61.300 0.096 0.000 1.343 226 I CB -0.238 37.858 38.000 0.160 0.000 1.046 226 I HN 0.202 nan 8.210 nan 0.000 0.405 227 L N 0.610 121.738 121.223 -0.157 0.000 2.129 227 L HA -0.240 4.099 4.340 -0.000 0.000 0.212 227 L C 1.697 178.334 176.870 -0.389 0.000 1.087 227 L CA 1.255 55.768 54.840 -0.546 0.000 0.757 227 L CB -0.552 41.310 42.059 -0.329 0.000 0.896 227 L HN 0.388 nan 8.230 nan 0.000 0.434 228 N N -0.689 117.930 118.700 -0.134 0.000 2.280 228 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 228 N C 0.542 176.067 175.510 0.025 0.000 1.109 228 N CA 0.248 53.269 53.050 -0.048 0.000 0.855 228 N CB 0.238 38.716 38.487 -0.015 0.000 0.974 228 N HN 0.264 nan 8.380 nan 0.000 0.482 229 S N 1.467 117.205 115.700 0.064 0.000 2.572 229 S HA 0.184 4.654 4.470 -0.000 0.000 0.279 229 S C -1.219 173.467 174.600 0.143 0.000 1.341 229 S CA -0.888 57.379 58.200 0.112 0.000 1.043 229 S CB 1.513 64.794 63.200 0.134 0.000 0.887 229 S HN 0.012 nan 8.310 nan 0.000 0.516 230 P HA 0.022 nan 4.420 nan 0.000 0.222 230 P C 1.372 178.769 177.300 0.162 0.000 1.147 230 P CA 1.370 64.543 63.100 0.121 0.000 0.790 230 P CB -0.477 31.274 31.700 0.085 0.000 0.780 231 G N -1.431 107.473 108.800 0.174 0.000 2.712 231 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.212 231 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.212 231 G C 1.445 176.522 174.900 0.295 0.000 1.142 231 G CA -0.088 45.140 45.100 0.213 0.000 0.789 231 G HN 0.155 nan 8.290 nan 0.000 0.535 232 Y N 2.551 122.953 120.300 0.170 0.000 2.114 232 Y HA -0.146 4.404 4.550 -0.000 0.000 0.282 232 Y C 0.178 176.214 175.900 0.226 0.000 1.165 232 Y CA 2.115 60.337 58.100 0.203 0.000 1.148 232 Y CB -0.700 37.843 38.460 0.139 0.000 0.972 232 Y HN 0.231 nan 8.280 nan 0.000 0.504 233 P HA -0.207 nan 4.420 nan 0.000 0.215 233 P C 1.477 178.874 177.300 0.162 0.000 1.157 233 P CA 1.749 64.986 63.100 0.229 0.000 0.863 233 P CB -0.326 31.519 31.700 0.241 0.000 0.787 234 F N -1.155 118.829 119.950 0.058 0.000 2.259 234 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 234 F C 2.125 177.912 175.800 -0.021 0.000 1.088 234 F CA 0.802 58.811 58.000 0.016 0.000 1.358 234 F CB -0.737 38.292 39.000 0.048 0.000 1.040 234 F HN 0.004 nan 8.300 nan 0.000 0.505 235 W N 1.641 122.852 121.300 -0.148 0.000 2.388 235 W HA -0.209 4.451 4.660 -0.000 0.000 0.294 235 W C 2.170 178.480 176.519 -0.349 0.000 1.212 235 W CA 1.667 58.847 57.345 -0.276 0.000 1.271 235 W CB -0.387 28.945 29.460 -0.214 0.000 1.126 235 W HN 0.040 nan 8.180 nan 0.000 0.535 236 K N 0.701 120.867 120.400 -0.391 0.000 2.097 236 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 236 K C 2.229 178.587 176.600 -0.403 0.000 1.050 236 K CA 1.325 57.351 56.287 -0.435 0.000 0.938 236 K CB -0.103 32.198 32.500 -0.331 0.000 0.718 236 K HN 0.112 nan 8.250 nan 0.000 0.442 237 R N -0.190 120.088 120.500 -0.369 0.000 2.055 237 R HA -0.045 4.294 4.340 -0.000 0.000 0.226 237 R C 2.178 178.173 176.300 -0.508 0.000 1.135 237 R CA 1.535 57.423 56.100 -0.352 0.000 0.959 237 R CB 0.017 30.174 30.300 -0.240 0.000 0.854 237 R HN 0.279 nan 8.270 nan 0.000 0.431 238 Q N -0.801 118.540 119.800 -0.765 0.000 2.316 238 Q HA 0.190 4.530 4.340 -0.000 0.000 0.235 238 Q C 0.798 176.336 176.000 -0.770 0.000 0.863 238 Q CA 0.254 55.601 55.803 -0.759 0.000 0.939 238 Q CB 1.450 29.624 28.738 -0.940 0.000 1.108 238 Q HN 0.392 nan 8.270 nan 0.000 0.522 239 G N 1.773 109.905 108.800 -1.114 0.000 2.594 239 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.297 239 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.297 239 G C 0.849 175.207 174.900 -0.904 0.000 1.273 239 G CA 1.050 45.166 45.100 -1.641 0.000 0.974 239 G HN 0.387 nan 8.290 nan 0.000 0.552 240 T N -1.751 112.502 114.554 -0.502 0.000 3.007 240 T HA 0.050 4.400 4.350 -0.000 0.000 0.270 240 T C 2.304 176.945 174.700 -0.099 0.000 1.107 240 T CA 2.042 64.073 62.100 -0.114 0.000 1.118 240 T CB -0.112 68.774 68.868 0.030 0.000 0.889 240 T HN 0.399 nan 8.240 nan 0.000 0.506 241 M N 1.264 120.765 119.600 -0.164 0.000 2.539 241 M HA 0.184 4.664 4.480 -0.000 0.000 0.261 241 M C 2.606 178.853 176.300 -0.088 0.000 1.069 241 M CA 0.906 56.159 55.300 -0.078 0.000 1.081 241 M CB -1.409 31.106 32.600 -0.141 0.000 1.412 241 M HN 0.558 nan 8.290 nan 0.000 0.482 242 A N -0.037 122.682 122.820 -0.168 0.000 2.121 242 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 242 A C 2.289 179.909 177.584 0.059 0.000 1.154 242 A CA 1.491 53.496 52.037 -0.054 0.000 0.679 242 A CB -0.566 18.430 19.000 -0.007 0.000 0.795 242 A HN 0.474 nan 8.150 nan 0.000 0.458 243 A N -0.630 122.150 122.820 -0.066 0.000 2.168 243 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 243 A C 2.022 179.577 177.584 -0.048 0.000 1.152 243 A CA 1.218 53.166 52.037 -0.149 0.000 0.716 243 A CB -0.501 18.076 19.000 -0.706 0.000 0.794 243 A HN 0.296 nan 8.150 nan 0.000 0.465 244 V N 0.049 120.039 119.914 0.127 0.000 2.270 244 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 244 V C 2.561 178.773 176.094 0.196 0.000 1.043 244 V CA 2.080 64.540 62.300 0.266 0.000 1.014 244 V CB -0.561 31.406 31.823 0.239 0.000 0.645 244 V HN 0.483 nan 8.190 nan 0.000 0.447 245 E N -1.121 119.200 120.200 0.201 0.000 2.106 245 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 245 E C 1.786 178.497 176.600 0.185 0.000 0.984 245 E CA 1.335 57.851 56.400 0.194 0.000 0.806 245 E CB -0.344 29.509 29.700 0.255 0.000 0.750 245 E HN 0.798 nan 8.360 nan 0.000 0.458 246 W N 0.862 122.195 121.300 0.055 0.000 2.358 246 W HA -0.222 4.438 4.660 -0.000 0.000 0.303 246 W C 2.337 178.863 176.519 0.012 0.000 1.208 246 W CA 1.434 58.802 57.345 0.038 0.000 1.274 246 W CB -0.455 29.038 29.460 0.055 0.000 1.138 246 W HN 0.022 nan 8.180 nan 0.000 0.515 247 C N 0.237 119.597 119.300 0.099 0.000 2.440 247 C HA -0.138 4.321 4.460 -0.000 0.000 0.278 247 C C 2.495 177.401 174.990 -0.141 0.000 1.295 247 C CA 1.505 60.481 59.018 -0.070 0.000 1.738 247 C CB -1.720 26.101 27.740 0.135 0.000 1.987 247 C HN 0.498 nan 8.230 nan 0.000 0.492 248 N N 0.685 119.348 118.700 -0.061 0.000 2.142 248 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 248 N C 1.655 177.021 175.510 -0.240 0.000 1.023 248 N CA 1.764 54.766 53.050 -0.081 0.000 0.852 248 N CB -0.314 38.168 38.487 -0.007 0.000 0.998 248 N HN 0.387 nan 8.380 nan 0.000 0.424 249 T N 0.212 114.621 114.554 -0.241 0.000 2.833 249 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 249 T C 0.952 175.368 174.700 -0.473 0.000 1.054 249 T CA 0.923 62.839 62.100 -0.307 0.000 1.135 249 T CB -0.156 68.598 68.868 -0.190 0.000 0.869 249 T HN 0.324 nan 8.240 nan 0.000 0.466 250 N N 0.270 118.666 118.700 -0.508 0.000 2.251 250 N HA 0.093 4.833 4.740 -0.000 0.000 0.217 250 N C -0.611 174.824 175.510 -0.125 0.000 1.124 250 N CA -0.021 52.796 53.050 -0.388 0.000 0.843 250 N CB 0.302 38.372 38.487 -0.695 0.000 1.024 250 N HN 0.366 nan 8.380 nan 0.000 0.501 251 Y N -0.434 119.869 120.300 0.004 0.000 3.589 251 Y HA -0.312 4.238 4.550 -0.000 0.000 0.218 251 Y C 1.084 177.066 175.900 0.138 0.000 1.234 251 Y CA 0.450 58.608 58.100 0.097 0.000 1.576 251 Y CB -2.225 36.283 38.460 0.080 0.000 1.487 251 Y HN 0.214 nan 8.280 nan 0.000 0.616 252 A N -0.776 122.109 122.820 0.108 0.000 2.469 252 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 252 A C 0.244 177.903 177.584 0.126 0.000 1.221 252 A CA -0.282 51.844 52.037 0.147 0.000 0.946 252 A CB 0.408 19.415 19.000 0.010 0.000 1.049 252 A HN 0.226 nan 8.150 nan 0.000 0.529 253 L N 1.998 123.263 121.223 0.070 0.000 2.325 253 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 253 L C -2.734 174.086 176.870 -0.084 0.000 1.089 253 L CA -2.141 52.708 54.840 0.014 0.000 0.836 253 L CB 0.394 42.463 42.059 0.016 0.000 1.184 253 L HN -0.098 nan 8.230 nan 0.000 0.444 254 P HA 0.081 nan 4.420 nan 0.000 0.261 254 P C -1.202 175.819 177.300 -0.464 0.000 1.203 254 P CA 0.366 63.126 63.100 -0.566 0.000 0.767 254 P CB 0.321 31.310 31.700 -1.183 0.000 0.785 255 T N 5.045 119.403 114.554 -0.325 0.000 2.840 255 T HA 0.344 4.694 4.350 -0.000 0.000 0.287 255 T C -0.273 174.215 174.700 -0.353 0.000 0.991 255 T CA -0.850 61.038 62.100 -0.354 0.000 0.964 255 T CB 0.707 69.456 68.868 -0.199 0.000 0.954 255 T HN 0.287 nan 8.240 nan 0.000 0.438 256 R N 2.804 122.989 120.500 -0.525 0.000 2.992 256 R HA -0.200 4.139 4.340 -0.000 0.000 0.263 256 R C -0.028 176.001 176.300 -0.452 0.000 0.902 256 R CA 0.195 55.728 56.100 -0.946 0.000 0.667 256 R CB -1.559 27.963 30.300 -1.296 0.000 1.504 256 R HN 0.887 nan 8.270 nan 0.000 0.489 257 N N 0.643 119.333 118.700 -0.017 0.000 2.725 257 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 257 N C -0.320 175.415 175.510 0.376 0.000 1.031 257 N CA 1.607 54.834 53.050 0.295 0.000 0.720 257 N CB -0.891 37.866 38.487 0.449 0.000 0.930 257 N HN 0.589 nan 8.380 nan 0.000 0.543 258 F N -2.968 117.002 119.950 0.034 0.000 2.973 258 F HA -0.328 4.199 4.527 -0.000 0.000 0.299 258 F C 1.912 177.840 175.800 0.214 0.000 0.737 258 F CA 1.209 59.276 58.000 0.112 0.000 1.151 258 F CB -2.147 36.908 39.000 0.092 0.000 1.440 258 F HN 0.338 nan 8.300 nan 0.000 0.367 259 S N -0.933 114.909 115.700 0.236 0.000 2.370 259 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 259 S C 0.827 175.593 174.600 0.278 0.000 1.033 259 S CA 1.943 60.275 58.200 0.219 0.000 1.011 259 S CB 0.014 63.220 63.200 0.010 0.000 0.852 259 S HN 0.504 nan 8.310 nan 0.000 0.457 260 D N -2.623 117.903 120.400 0.210 0.000 2.531 260 D HA 0.603 5.242 4.640 -0.000 0.000 0.244 260 D C 0.255 176.715 176.300 0.267 0.000 1.090 260 D CA -0.017 54.117 54.000 0.223 0.000 0.989 260 D CB 1.580 42.466 40.800 0.142 0.000 1.433 260 D HN 0.107 nan 8.370 nan 0.000 0.492 261 G N -0.124 108.869 108.800 0.321 0.000 3.393 261 G HA2 0.157 4.117 3.960 -0.000 0.000 0.255 261 G HA3 0.157 4.117 3.960 -0.000 0.000 0.255 261 G C -0.629 174.442 174.900 0.285 0.000 1.097 261 G CA 0.085 45.369 45.100 0.306 0.000 0.780 261 G HN 0.307 nan 8.290 nan 0.000 0.540 262 Y N 0.141 120.540 120.300 0.165 0.000 2.477 262 Y HA 0.709 5.259 4.550 -0.000 0.000 0.347 262 Y C -2.209 173.786 175.900 0.158 0.000 0.981 262 Y CA -2.527 55.642 58.100 0.116 0.000 1.033 262 Y CB 1.937 40.511 38.460 0.189 0.000 1.245 262 Y HN -0.089 nan 8.280 nan 0.000 0.455 263 F N 5.540 124.932 119.950 -0.930 0.000 2.477 263 F HA 0.420 4.947 4.527 -0.000 0.000 0.335 263 F C 0.469 175.647 175.800 -1.036 0.000 1.130 263 F CA -1.602 55.964 58.000 -0.723 0.000 0.948 263 F CB 1.785 40.572 39.000 -0.355 0.000 1.154 263 F HN 0.678 nan 8.300 nan 0.000 0.439 264 E N 3.706 123.271 120.200 -1.059 0.000 2.209 264 E HA -0.157 4.192 4.350 -0.000 0.000 0.196 264 E C 0.452 176.335 176.600 -1.195 0.000 0.993 264 E CA 1.527 57.304 56.400 -1.039 0.000 0.819 264 E CB -0.263 28.767 29.700 -1.117 0.000 0.745 264 E HN 0.482 nan 8.360 nan 0.000 0.477 265 F N -0.412 118.787 119.950 -1.252 0.000 2.750 265 F HA 0.503 5.029 4.527 -0.000 0.000 0.297 265 F C 1.590 177.032 175.800 -0.597 0.000 1.138 265 F CA -0.557 56.895 58.000 -0.912 0.000 1.346 265 F CB -0.214 38.243 39.000 -0.905 0.000 0.965 265 F HN -0.009 nan 8.300 nan 0.000 0.514 266 A N 0.471 123.112 122.820 -0.299 0.000 2.024 266 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 266 A C 2.416 180.043 177.584 0.072 0.000 1.164 266 A CA 1.364 53.435 52.037 0.057 0.000 0.643 266 A CB -0.391 18.628 19.000 0.033 0.000 0.806 266 A HN 0.371 nan 8.150 nan 0.000 0.451 267 R N 0.328 120.847 120.500 0.032 0.000 2.092 267 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 267 R C 2.083 178.430 176.300 0.079 0.000 1.119 267 R CA 1.527 57.670 56.100 0.072 0.000 0.970 267 R CB -0.375 29.955 30.300 0.049 0.000 0.864 267 R HN 0.664 nan 8.270 nan 0.000 0.440 268 S N 0.718 116.453 115.700 0.059 0.000 2.607 268 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 268 S C 1.514 176.145 174.600 0.052 0.000 0.969 268 S CA 0.290 58.514 58.200 0.041 0.000 0.927 268 S CB -0.350 62.851 63.200 0.002 0.000 0.772 268 S HN 0.514 nan 8.310 nan 0.000 0.533 269 I N -1.239 119.384 120.570 0.090 0.000 3.994 269 I HA 0.388 4.557 4.170 -0.000 0.000 0.323 269 I C -0.296 175.872 176.117 0.084 0.000 1.501 269 I CA -0.826 60.525 61.300 0.086 0.000 1.112 269 I CB 0.183 38.261 38.000 0.130 0.000 1.254 269 I HN 0.003 nan 8.210 nan 0.000 0.495 270 D N 1.240 121.699 120.400 0.098 0.000 2.506 270 D HA 0.283 4.923 4.640 -0.000 0.000 0.272 270 D C 1.549 177.873 176.300 0.041 0.000 1.214 270 D CA 0.080 54.144 54.000 0.106 0.000 1.067 270 D CB 0.648 41.551 40.800 0.172 0.000 1.117 270 D HN -0.019 nan 8.370 nan 0.000 0.578 271 G N -1.431 107.353 108.800 -0.027 0.000 2.432 271 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 271 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 271 G C 1.146 175.888 174.900 -0.262 0.000 1.135 271 G CA 0.620 45.595 45.100 -0.208 0.000 0.767 271 G HN 0.477 nan 8.290 nan 0.000 0.550 272 Y N 1.006 121.322 120.300 0.027 0.000 2.263 272 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 272 Y C 3.247 179.151 175.900 0.006 0.000 1.130 272 Y CA 1.507 59.624 58.100 0.028 0.000 1.179 272 Y CB -0.619 37.873 38.460 0.054 0.000 0.998 272 Y HN 0.092 nan 8.280 nan 0.000 0.532 273 T N 0.534 115.175 114.554 0.145 0.000 2.746 273 T HA -0.208 4.141 4.350 -0.000 0.000 0.267 273 T C 2.080 176.790 174.700 0.017 0.000 1.039 273 T CA 1.395 63.538 62.100 0.072 0.000 1.142 273 T CB -0.292 68.611 68.868 0.058 0.000 0.866 273 T HN 0.243 nan 8.240 nan 0.000 0.444 274 M N 1.538 121.128 119.600 -0.018 0.000 2.117 274 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 274 M C 1.985 178.244 176.300 -0.068 0.000 1.065 274 M CA 1.735 57.001 55.300 -0.057 0.000 1.114 274 M CB -0.710 31.834 32.600 -0.094 0.000 1.361 274 M HN 0.288 nan 8.290 nan 0.000 0.408 275 E N -0.521 119.632 120.200 -0.079 0.000 2.085 275 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 275 E C 1.796 178.380 176.600 -0.028 0.000 0.994 275 E CA 1.272 57.629 56.400 -0.072 0.000 0.801 275 E CB -0.452 29.213 29.700 -0.057 0.000 0.743 275 E HN 0.724 nan 8.360 nan 0.000 0.453 276 G N 0.993 109.794 108.800 0.002 0.000 2.598 276 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 276 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 276 G C 1.379 176.274 174.900 -0.008 0.000 1.131 276 G CA 0.545 45.649 45.100 0.008 0.000 0.785 276 G HN 0.234 nan 8.290 nan 0.000 0.539 277 M N -1.069 118.519 119.600 -0.021 0.000 2.347 277 M HA 0.449 4.928 4.480 -0.000 0.000 0.324 277 M C 0.431 176.709 176.300 -0.036 0.000 1.028 277 M CA -0.304 54.980 55.300 -0.026 0.000 0.988 277 M CB 0.380 32.965 32.600 -0.026 0.000 1.528 277 M HN -0.166 nan 8.290 nan 0.000 0.550 278 K N 2.550 122.922 120.400 -0.046 0.000 2.368 278 K HA 0.237 4.556 4.320 -0.000 0.000 0.282 278 K C 0.758 177.330 176.600 -0.047 0.000 1.035 278 K CA -0.036 56.216 56.287 -0.058 0.000 0.973 278 K CB 1.279 33.731 32.500 -0.080 0.000 0.957 278 K HN 0.275 nan 8.250 nan 0.000 0.474 279 V N 0.397 120.283 119.914 -0.046 0.000 3.572 279 V HA 0.247 4.367 4.120 -0.000 0.000 0.260 279 V C 0.170 176.238 176.094 -0.042 0.000 1.324 279 V CA -0.028 62.249 62.300 -0.038 0.000 1.068 279 V CB 0.183 31.987 31.823 -0.031 0.000 0.837 279 V HN 0.742 nan 8.190 nan 0.000 0.450 280 Q N -0.062 119.707 119.800 -0.052 0.000 2.534 280 Q HA 0.615 4.954 4.340 -0.000 0.000 0.290 280 Q C -1.519 174.440 176.000 -0.069 0.000 0.991 280 Q CA -0.402 55.368 55.803 -0.055 0.000 0.783 280 Q CB 2.724 31.430 28.738 -0.053 0.000 1.470 280 Q HN 0.477 nan 8.270 nan 0.000 0.406 281 Q N 1.267 121.028 119.800 -0.066 0.000 2.271 281 Q HA 0.554 4.894 4.340 -0.000 0.000 0.268 281 Q C -1.696 174.269 176.000 -0.058 0.000 1.021 281 Q CA -0.512 55.245 55.803 -0.077 0.000 0.802 281 Q CB 1.696 30.380 28.738 -0.091 0.000 1.282 281 Q HN 0.665 nan 8.270 nan 0.000 0.431 282 R N 1.173 121.639 120.500 -0.055 0.000 2.869 282 R HA 0.952 5.291 4.340 -0.000 0.000 0.263 282 R C -0.700 175.590 176.300 -0.018 0.000 1.066 282 R CA -0.922 55.157 56.100 -0.036 0.000 0.960 282 R CB 1.525 31.800 30.300 -0.041 0.000 1.221 282 R HN 0.589 nan 8.270 nan 0.000 0.474 283 G N -0.319 108.483 108.800 0.003 0.000 2.721 283 G HA2 0.483 4.442 3.960 -0.000 0.000 0.296 283 G HA3 0.483 4.442 3.960 -0.000 0.000 0.296 283 G C -1.017 173.908 174.900 0.042 0.000 1.383 283 G CA -0.864 44.257 45.100 0.035 0.000 0.788 283 G HN 0.716 nan 8.290 nan 0.000 0.500 284 C N 0.335 119.679 119.300 0.073 0.000 2.500 284 C HA 0.565 5.025 4.460 -0.000 0.000 0.367 284 C C -1.882 173.143 174.990 0.059 0.000 1.283 284 C CA -0.861 58.202 59.018 0.076 0.000 2.456 284 C CB 0.567 28.375 27.740 0.113 0.000 2.457 284 C HN 0.500 nan 8.230 nan 0.000 0.632 285 P HA 0.075 nan 4.420 nan 0.000 0.266 285 P C -0.584 176.745 177.300 0.048 0.000 1.195 285 P CA 0.453 63.493 63.100 -0.098 0.000 0.768 285 P CB -0.082 31.520 31.700 -0.164 0.000 0.838 286 Y N -2.140 118.221 120.300 0.102 0.000 4.079 286 Y HA -0.232 4.318 4.550 -0.000 0.000 0.223 286 Y C 0.646 176.684 175.900 0.230 0.000 1.155 286 Y CA 0.137 58.331 58.100 0.157 0.000 1.805 286 Y CB -2.123 36.456 38.460 0.198 0.000 1.571 286 Y HN 0.422 nan 8.280 nan 0.000 0.654 287 C N 2.341 121.802 119.300 0.269 0.000 2.322 287 C HA 0.593 5.053 4.460 -0.000 0.000 0.324 287 C C 1.167 176.262 174.990 0.175 0.000 1.284 287 C CA -0.102 59.077 59.018 0.269 0.000 1.606 287 C CB 0.290 28.163 27.740 0.220 0.000 2.251 287 C HN 0.530 nan 8.230 nan 0.000 0.502 288 N N 4.186 123.003 118.700 0.194 0.000 2.235 288 N HA 0.077 4.816 4.740 -0.000 0.000 0.209 288 N C -0.030 175.654 175.510 0.290 0.000 1.122 288 N CA -0.093 53.037 53.050 0.133 0.000 0.845 288 N CB -0.062 38.416 38.487 -0.015 0.000 1.004 288 N HN 0.878 nan 8.380 nan 0.000 0.499 289 M N -1.791 117.986 119.600 0.296 0.000 3.124 289 M HA 0.563 5.043 4.480 -0.000 0.000 0.298 289 M C -2.914 173.580 176.300 0.323 0.000 1.403 289 M CA -1.597 53.900 55.300 0.328 0.000 0.651 289 M CB 1.138 33.931 32.600 0.322 0.000 1.412 289 M HN -0.352 nan 8.290 nan 0.000 0.477 290 P HA -0.043 nan 4.420 nan 0.000 0.261 290 P C 0.565 177.874 177.300 0.016 0.000 1.173 290 P CA 0.129 63.287 63.100 0.098 0.000 0.760 290 P CB 0.487 32.205 31.700 0.030 0.000 0.783 291 C N 1.071 120.377 119.300 0.011 0.000 3.525 291 C HA 0.454 4.914 4.460 -0.000 0.000 0.289 291 C C 1.144 176.036 174.990 -0.164 0.000 1.496 291 C CA -0.082 58.820 59.018 -0.193 0.000 1.804 291 C CB -0.659 27.020 27.740 -0.101 0.000 2.708 291 C HN 0.549 nan 8.230 nan 0.000 0.642 292 G N 3.059 111.811 108.800 -0.081 0.000 2.821 292 G HA2 0.254 4.214 3.960 -0.000 0.000 0.289 292 G HA3 0.254 4.214 3.960 -0.000 0.000 0.289 292 G C -0.362 174.476 174.900 -0.102 0.000 0.771 292 G CA -0.046 45.013 45.100 -0.069 0.000 1.908 292 G HN 0.567 nan 8.290 nan 0.000 0.539 293 N N 1.240 119.858 118.700 -0.137 0.000 2.411 293 N HA 0.176 4.916 4.740 -0.000 0.000 0.259 293 N C -0.211 175.240 175.510 -0.100 0.000 1.103 293 N CA -0.084 52.881 53.050 -0.141 0.000 0.954 293 N CB 2.284 40.654 38.487 -0.195 0.000 1.085 293 N HN 0.069 nan 8.380 nan 0.000 0.485 294 V N 2.949 122.811 119.914 -0.086 0.000 2.394 294 V HA 0.387 4.507 4.120 -0.000 0.000 0.282 294 V C 0.730 176.789 176.094 -0.058 0.000 1.031 294 V CA -0.735 61.525 62.300 -0.066 0.000 0.881 294 V CB 1.328 33.111 31.823 -0.067 0.000 0.982 294 V HN 0.425 nan 8.190 nan 0.000 0.451 295 V N 3.327 123.214 119.914 -0.045 0.000 3.204 295 V HA 0.688 4.807 4.120 -0.000 0.000 0.316 295 V C -0.558 175.522 176.094 -0.024 0.000 1.160 295 V CA -1.113 61.164 62.300 -0.038 0.000 1.044 295 V CB 2.165 33.965 31.823 -0.038 0.000 1.136 295 V HN 0.599 nan 8.190 nan 0.000 0.455 296 L N 2.217 123.427 121.223 -0.021 0.000 2.295 296 L HA 0.514 4.854 4.340 -0.000 0.000 0.285 296 L C -0.254 176.610 176.870 -0.011 0.000 1.035 296 L CA -0.591 54.242 54.840 -0.011 0.000 0.806 296 L CB 1.532 43.585 42.059 -0.011 0.000 1.214 296 L HN 1.018 nan 8.230 nan 0.000 0.426 297 D N 2.316 122.717 120.400 0.001 0.000 2.447 297 D HA 0.169 4.809 4.640 -0.000 0.000 0.265 297 D C 1.001 177.294 176.300 -0.012 0.000 1.250 297 D CA -0.289 53.708 54.000 -0.005 0.000 1.046 297 D CB 0.862 41.675 40.800 0.022 0.000 1.095 297 D HN 0.464 nan 8.370 nan 0.000 0.555 298 A N -0.827 121.973 122.820 -0.032 0.000 2.125 298 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 298 A C 1.505 179.096 177.584 0.011 0.000 1.156 298 A CA 1.157 53.172 52.037 -0.038 0.000 0.671 298 A CB -0.703 18.233 19.000 -0.105 0.000 0.794 298 A HN 0.638 nan 8.150 nan 0.000 0.459 299 E N -1.669 118.553 120.200 0.036 0.000 2.501 299 E HA 0.325 4.675 4.350 -0.000 0.000 0.201 299 E C 0.909 177.529 176.600 0.033 0.000 1.016 299 E CA 0.157 56.585 56.400 0.047 0.000 0.920 299 E CB 0.165 29.907 29.700 0.070 0.000 1.023 299 E HN 0.638 nan 8.360 nan 0.000 0.474 300 G N 1.805 110.618 108.800 0.022 0.000 2.143 300 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 300 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 300 G C 0.093 175.006 174.900 0.022 0.000 0.991 300 G CA 0.042 45.151 45.100 0.016 0.000 0.689 300 G HN 0.122 nan 8.290 nan 0.000 0.522 301 Q N 0.354 120.174 119.800 0.033 0.000 2.235 301 Q HA 0.425 4.765 4.340 -0.000 0.000 0.256 301 Q C 0.359 176.382 176.000 0.038 0.000 0.951 301 Q CA -0.460 55.371 55.803 0.046 0.000 0.890 301 Q CB 1.234 30.017 28.738 0.074 0.000 1.279 301 Q HN 0.651 nan 8.270 nan 0.000 0.444 302 E N 0.777 120.995 120.200 0.030 0.000 2.360 302 E HA 0.259 4.608 4.350 -0.000 0.000 0.269 302 E C -0.564 176.054 176.600 0.031 0.000 1.022 302 E CA 0.056 56.459 56.400 0.005 0.000 0.887 302 E CB 0.923 30.603 29.700 -0.034 0.000 0.990 302 E HN 0.279 nan 8.360 nan 0.000 0.426 303 S N 1.973 117.682 115.700 0.015 0.000 2.575 303 S HA 0.101 4.571 4.470 -0.000 0.000 0.278 303 S C -1.202 173.399 174.600 0.003 0.000 1.139 303 S CA -0.768 57.456 58.200 0.039 0.000 0.954 303 S CB 1.338 64.564 63.200 0.044 0.000 1.054 303 S HN 0.514 nan 8.310 nan 0.000 0.483 304 E N 4.870 125.076 120.200 0.009 0.000 2.115 304 E HA 0.397 4.746 4.350 -0.000 0.000 0.282 304 E C -1.014 175.580 176.600 -0.009 0.000 0.987 304 E CA -0.408 55.982 56.400 -0.016 0.000 0.797 304 E CB 0.551 30.240 29.700 -0.019 0.000 1.086 304 E HN 0.589 nan 8.360 nan 0.000 0.397 305 L N 4.608 125.810 121.223 -0.035 0.000 2.309 305 L HA 0.460 4.799 4.340 -0.000 0.000 0.282 305 L C -0.092 176.750 176.870 -0.047 0.000 1.036 305 L CA -0.717 54.099 54.840 -0.039 0.000 0.806 305 L CB 1.269 43.298 42.059 -0.051 0.000 1.220 305 L HN 0.455 nan 8.230 nan 0.000 0.429 306 D N 0.378 120.761 120.400 -0.028 0.000 2.527 306 D HA 0.075 4.715 4.640 -0.000 0.000 0.233 306 D C 0.219 176.518 176.300 -0.002 0.000 1.063 306 D CA -0.517 53.480 54.000 -0.004 0.000 0.880 306 D CB 2.361 43.179 40.800 0.031 0.000 1.457 306 D HN 0.442 nan 8.370 nan 0.000 0.475 307 Y N 1.980 122.236 120.300 -0.073 0.000 2.081 307 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 307 Y C 1.927 177.772 175.900 -0.092 0.000 1.163 307 Y CA 1.984 60.032 58.100 -0.085 0.000 1.135 307 Y CB 0.132 38.537 38.460 -0.092 0.000 0.970 307 Y HN 0.326 nan 8.280 nan 0.000 0.498 308 E N 0.482 120.482 120.200 -0.333 0.000 2.097 308 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 308 E C 1.776 178.175 176.600 -0.335 0.000 1.000 308 E CA 1.472 57.620 56.400 -0.421 0.000 0.804 308 E CB -0.601 29.049 29.700 -0.084 0.000 0.740 308 E HN 0.621 nan 8.360 nan 0.000 0.454 309 N N 0.640 119.228 118.700 -0.188 0.000 2.069 309 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 309 N C 2.077 177.486 175.510 -0.169 0.000 1.031 309 N CA 1.111 54.086 53.050 -0.126 0.000 0.852 309 N CB -0.675 37.777 38.487 -0.058 0.000 1.018 309 N HN 0.042 nan 8.380 nan 0.000 0.423 310 V N 1.195 120.981 119.914 -0.214 0.000 2.453 310 V HA -0.087 4.033 4.120 -0.000 0.000 0.247 310 V C 2.403 178.331 176.094 -0.276 0.000 1.048 310 V CA 1.583 63.768 62.300 -0.192 0.000 1.049 310 V CB -0.998 30.748 31.823 -0.129 0.000 0.672 310 V HN 0.313 nan 8.190 nan 0.000 0.457 311 A N 0.019 122.537 122.820 -0.503 0.000 1.873 311 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 311 A C 2.079 179.433 177.584 -0.384 0.000 1.186 311 A CA 1.505 53.226 52.037 -0.525 0.000 0.616 311 A CB -0.428 18.037 19.000 -0.891 0.000 0.823 311 A HN 0.389 nan 8.150 nan 0.000 0.442 312 L N -0.904 120.125 121.223 -0.323 0.000 2.341 312 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 312 L C 1.865 178.649 176.870 -0.143 0.000 1.115 312 L CA 1.161 55.872 54.840 -0.214 0.000 0.820 312 L CB -1.062 40.911 42.059 -0.143 0.000 0.944 312 L HN 0.367 nan 8.230 nan 0.000 0.452 313 L N -1.897 119.249 121.223 -0.128 0.000 2.640 313 L HA 0.221 4.561 4.340 -0.000 0.000 0.230 313 L C 1.650 178.486 176.870 -0.057 0.000 1.123 313 L CA 0.153 54.956 54.840 -0.060 0.000 0.900 313 L CB 0.196 42.238 42.059 -0.028 0.000 1.146 313 L HN 0.197 nan 8.230 nan 0.000 0.484 314 G N -0.296 108.427 108.800 -0.128 0.000 2.487 314 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.212 314 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.212 314 G C 1.395 176.108 174.900 -0.312 0.000 1.988 314 G CA 0.734 45.758 45.100 -0.126 0.000 0.724 314 G HN 0.192 nan 8.290 nan 0.000 0.755 315 S N 1.136 116.529 115.700 -0.512 0.000 2.387 315 S HA -0.217 4.253 4.470 -0.000 0.000 0.230 315 S C 1.942 176.075 174.600 -0.777 0.000 1.035 315 S CA 1.967 59.498 58.200 -1.115 0.000 1.014 315 S CB -0.556 62.175 63.200 -0.782 0.000 0.836 315 S HN 0.414 nan 8.310 nan 0.000 0.466 316 N N 1.268 119.684 118.700 -0.472 0.000 2.381 316 N HA 0.058 4.798 4.740 -0.000 0.000 0.182 316 N C 1.288 176.721 175.510 -0.128 0.000 1.025 316 N CA 0.991 53.837 53.050 -0.341 0.000 0.888 316 N CB -0.355 37.948 38.487 -0.308 0.000 0.965 316 N HN 0.532 nan 8.380 nan 0.000 0.438 317 L N -1.603 119.567 121.223 -0.088 0.000 2.640 317 L HA 0.353 4.693 4.340 -0.000 0.000 0.230 317 L C 1.113 178.095 176.870 0.187 0.000 1.123 317 L CA 0.286 55.217 54.840 0.151 0.000 0.900 317 L CB -0.115 41.999 42.059 0.092 0.000 1.146 317 L HN 0.263 nan 8.230 nan 0.000 0.484 318 G N 1.565 110.298 108.800 -0.113 0.000 2.153 318 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 318 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 318 G C 0.174 175.214 174.900 0.234 0.000 0.994 318 G CA 0.019 45.111 45.100 -0.012 0.000 0.698 318 G HN 0.342 nan 8.290 nan 0.000 0.521 319 I N 0.977 121.622 120.570 0.124 0.000 2.304 319 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 319 I C 1.433 177.731 176.117 0.303 0.000 1.018 319 I CA 0.276 61.693 61.300 0.194 0.000 1.260 319 I CB 1.484 39.557 38.000 0.123 0.000 1.390 319 I HN 0.073 nan 8.210 nan 0.000 0.475 320 G N 5.985 114.970 108.800 0.309 0.000 3.337 320 G HA2 0.178 4.137 3.960 -0.000 0.000 0.246 320 G HA3 0.178 4.137 3.960 -0.000 0.000 0.246 320 G C 0.408 175.332 174.900 0.040 0.000 1.131 320 G CA -0.210 45.051 45.100 0.268 0.000 0.773 320 G HN 0.465 nan 8.290 nan 0.000 0.544 321 K N 0.575 120.959 120.400 -0.027 0.000 2.394 321 K HA 0.329 4.649 4.320 -0.000 0.000 0.260 321 K C 0.381 176.930 176.600 -0.085 0.000 0.967 321 K CA -0.808 55.426 56.287 -0.088 0.000 0.855 321 K CB 2.393 34.797 32.500 -0.160 0.000 1.101 321 K HN -0.039 nan 8.250 nan 0.000 0.433 322 L N 3.837 125.030 121.223 -0.050 0.000 2.079 322 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 322 L C 1.843 178.665 176.870 -0.080 0.000 1.081 322 L CA 2.004 56.816 54.840 -0.046 0.000 0.752 322 L CB -0.480 41.565 42.059 -0.023 0.000 0.896 322 L HN 0.762 nan 8.230 nan 0.000 0.433 323 N N -0.800 117.838 118.700 -0.104 0.000 2.223 323 N HA -0.225 4.515 4.740 -0.000 0.000 0.185 323 N C 1.571 176.964 175.510 -0.194 0.000 1.016 323 N CA 1.850 54.830 53.050 -0.117 0.000 0.863 323 N CB -0.584 37.841 38.487 -0.104 0.000 0.983 323 N HN 0.544 nan 8.380 nan 0.000 0.429 324 E N 0.087 120.083 120.200 -0.341 0.000 2.076 324 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 324 E C 1.961 178.370 176.600 -0.318 0.000 0.979 324 E CA 0.680 56.655 56.400 -0.709 0.000 0.807 324 E CB 0.101 29.089 29.700 -1.186 0.000 0.761 324 E HN 0.109 nan 8.360 nan 0.000 0.454 325 V N 1.192 121.015 119.914 -0.152 0.000 2.407 325 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 325 V C 2.171 178.269 176.094 0.007 0.000 1.055 325 V CA 1.765 64.051 62.300 -0.023 0.000 1.049 325 V CB -0.367 31.439 31.823 -0.029 0.000 0.662 325 V HN 0.197 nan 8.190 nan 0.000 0.455 326 S N -0.280 115.408 115.700 -0.021 0.000 2.399 326 S HA -0.141 4.328 4.470 -0.000 0.000 0.231 326 S C 1.981 176.611 174.600 0.051 0.000 1.022 326 S CA 1.321 59.524 58.200 0.006 0.000 0.983 326 S CB -0.108 63.084 63.200 -0.013 0.000 0.803 326 S HN 0.421 nan 8.310 nan 0.000 0.480 327 V N 2.122 122.085 119.914 0.081 0.000 2.307 327 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 327 V C 2.148 178.335 176.094 0.156 0.000 1.045 327 V CA 1.426 63.820 62.300 0.157 0.000 1.024 327 V CB -0.695 31.316 31.823 0.313 0.000 0.651 327 V HN 0.438 nan 8.190 nan 0.000 0.449 328 L N 0.279 121.614 121.223 0.187 0.000 2.046 328 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 328 L C 2.417 179.330 176.870 0.072 0.000 1.077 328 L CA 2.191 57.108 54.840 0.129 0.000 0.747 328 L CB -0.856 41.288 42.059 0.141 0.000 0.896 328 L HN 0.459 nan 8.230 nan 0.000 0.432 329 N N 0.501 119.239 118.700 0.063 0.000 2.069 329 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 329 N C 2.042 177.592 175.510 0.067 0.000 1.031 329 N CA 1.383 54.462 53.050 0.048 0.000 0.852 329 N CB -0.079 38.429 38.487 0.034 0.000 1.018 329 N HN 0.096 nan 8.380 nan 0.000 0.423 330 R N 0.195 120.746 120.500 0.085 0.000 2.081 330 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 330 R C 2.123 178.436 176.300 0.022 0.000 1.131 330 R CA 1.355 57.523 56.100 0.115 0.000 0.960 330 R CB -0.332 30.050 30.300 0.137 0.000 0.856 330 R HN 0.350 nan 8.270 nan 0.000 0.436 331 I N 0.813 121.390 120.570 0.011 0.000 2.208 331 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 331 I C 2.585 178.660 176.117 -0.071 0.000 1.097 331 I CA 1.371 62.648 61.300 -0.038 0.000 1.363 331 I CB -0.426 37.573 38.000 -0.002 0.000 1.051 331 I HN 0.321 nan 8.210 nan 0.000 0.413 332 A N 0.486 123.293 122.820 -0.022 0.000 1.883 332 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 332 A C 1.965 179.527 177.584 -0.036 0.000 1.186 332 A CA 2.215 54.243 52.037 -0.014 0.000 0.624 332 A CB -0.617 18.397 19.000 0.024 0.000 0.822 332 A HN 0.354 nan 8.150 nan 0.000 0.444 333 D N -0.449 119.944 120.400 -0.013 0.000 2.117 333 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 333 D C 1.977 178.125 176.300 -0.254 0.000 0.982 333 D CA 1.361 55.369 54.000 0.013 0.000 0.828 333 D CB -0.399 40.559 40.800 0.264 0.000 0.967 333 D HN 0.634 nan 8.370 nan 0.000 0.464 334 E N -0.299 119.569 120.200 -0.554 0.000 2.077 334 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 334 E C 1.935 178.282 176.600 -0.420 0.000 0.989 334 E CA 0.723 56.643 56.400 -0.801 0.000 0.800 334 E CB 0.046 29.362 29.700 -0.640 0.000 0.746 334 E HN 0.198 nan 8.360 nan 0.000 0.452 335 M N -1.138 118.286 119.600 -0.293 0.000 2.447 335 M HA 0.085 4.564 4.480 -0.000 0.000 0.264 335 M C 1.183 177.352 176.300 -0.219 0.000 1.095 335 M CA 0.864 56.001 55.300 -0.273 0.000 1.125 335 M CB -0.098 32.341 32.600 -0.268 0.000 1.389 335 M HN 0.215 nan 8.290 nan 0.000 0.459 336 G N 3.120 111.829 108.800 -0.152 0.000 2.291 336 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.271 336 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.271 336 G C -0.077 174.791 174.900 -0.053 0.000 1.099 336 G CA 0.442 45.490 45.100 -0.085 0.000 0.919 336 G HN 0.541 nan 8.290 nan 0.000 0.496 337 M N -1.084 118.507 119.600 -0.016 0.000 2.464 337 M HA 0.667 5.147 4.480 -0.000 0.000 0.308 337 M C -0.528 175.845 176.300 0.120 0.000 1.127 337 M CA -1.202 54.135 55.300 0.062 0.000 0.913 337 M CB 1.860 34.499 32.600 0.065 0.000 1.689 337 M HN 0.011 nan 8.290 nan 0.000 0.445 338 D N 2.472 122.987 120.400 0.191 0.000 2.472 338 D HA 0.037 4.677 4.640 -0.000 0.000 0.248 338 D C 1.275 177.610 176.300 0.058 0.000 1.174 338 D CA 0.705 54.779 54.000 0.124 0.000 0.883 338 D CB 1.312 42.189 40.800 0.128 0.000 1.149 338 D HN 0.791 nan 8.370 nan 0.000 0.488 339 T N 1.864 116.436 114.554 0.030 0.000 2.788 339 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 339 T C 2.130 176.797 174.700 -0.054 0.000 1.044 339 T CA 0.891 62.988 62.100 -0.005 0.000 1.139 339 T CB -0.307 68.558 68.868 -0.006 0.000 0.867 339 T HN 0.511 nan 8.240 nan 0.000 0.454 340 I N 1.274 121.810 120.570 -0.057 0.000 2.133 340 I HA -0.132 4.038 4.170 -0.000 0.000 0.238 340 I C 2.986 179.018 176.117 -0.141 0.000 1.074 340 I CA 1.341 62.596 61.300 -0.075 0.000 1.342 340 I CB -0.499 37.475 38.000 -0.043 0.000 1.053 340 I HN 0.239 nan 8.210 nan 0.000 0.404 341 S N 0.804 116.360 115.700 -0.241 0.000 2.399 341 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 341 S C 1.849 175.977 174.600 -0.786 0.000 1.022 341 S CA 1.060 58.955 58.200 -0.508 0.000 0.983 341 S CB -0.358 62.464 63.200 -0.630 0.000 0.803 341 S HN 0.298 nan 8.310 nan 0.000 0.480 342 L N 2.113 122.980 121.223 -0.593 0.000 2.017 342 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 342 L C 2.243 179.029 176.870 -0.139 0.000 1.073 342 L CA 2.162 56.830 54.840 -0.287 0.000 0.745 342 L CB -1.302 40.761 42.059 0.006 0.000 0.894 342 L HN 0.274 nan 8.230 nan 0.000 0.432 343 G N -1.096 107.642 108.800 -0.103 0.000 2.418 343 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.217 343 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.217 343 G C 1.476 176.373 174.900 -0.005 0.000 1.158 343 G CA 1.009 46.083 45.100 -0.043 0.000 0.771 343 G HN 0.346 nan 8.290 nan 0.000 0.545 344 V N 0.981 120.883 119.914 -0.021 0.000 2.548 344 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 344 V C 3.041 179.171 176.094 0.060 0.000 1.055 344 V CA 2.022 64.364 62.300 0.069 0.000 1.065 344 V CB -0.199 31.662 31.823 0.062 0.000 0.681 344 V HN 0.336 nan 8.190 nan 0.000 0.462 345 S N -0.034 115.638 115.700 -0.046 0.000 2.368 345 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 345 S C 1.891 176.548 174.600 0.095 0.000 1.029 345 S CA 1.332 59.538 58.200 0.010 0.000 0.988 345 S CB -0.224 62.965 63.200 -0.019 0.000 0.838 345 S HN 0.498 nan 8.310 nan 0.000 0.462 346 I N 1.666 122.273 120.570 0.062 0.000 2.252 346 I HA -0.172 3.997 4.170 -0.000 0.000 0.245 346 I C 2.688 178.845 176.117 0.068 0.000 1.102 346 I CA 1.027 62.362 61.300 0.059 0.000 1.385 346 I CB -0.465 37.557 38.000 0.036 0.000 1.064 346 I HN 0.259 nan 8.210 nan 0.000 0.414 347 A N 0.051 122.949 122.820 0.130 0.000 1.933 347 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 347 A C 2.155 179.880 177.584 0.234 0.000 1.175 347 A CA 2.023 54.195 52.037 0.226 0.000 0.628 347 A CB -0.986 18.203 19.000 0.316 0.000 0.814 347 A HN 0.516 nan 8.150 nan 0.000 0.444 348 H N -0.647 118.527 119.070 0.174 0.000 2.353 348 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 348 H C 1.843 177.296 175.328 0.208 0.000 1.090 348 H CA 1.922 58.121 56.048 0.252 0.000 1.327 348 H CB -0.057 29.795 29.762 0.151 0.000 1.383 348 H HN 0.142 nan 8.280 nan 0.000 0.508 349 V N 0.484 120.496 119.914 0.163 0.000 2.358 349 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 349 V C 2.441 178.478 176.094 -0.094 0.000 1.047 349 V CA 2.077 64.409 62.300 0.055 0.000 1.035 349 V CB -0.497 31.352 31.823 0.044 0.000 0.658 349 V HN 0.516 nan 8.190 nan 0.000 0.452 350 M N -0.491 118.966 119.600 -0.239 0.000 2.149 350 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 350 M C 2.233 178.140 176.300 -0.656 0.000 1.064 350 M CA 2.113 57.062 55.300 -0.586 0.000 1.102 350 M CB -0.472 31.474 32.600 -1.091 0.000 1.369 350 M HN 0.398 nan 8.290 nan 0.000 0.408 351 E N 0.486 120.426 120.200 -0.433 0.000 2.107 351 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 351 E C 1.965 178.379 176.600 -0.310 0.000 0.982 351 E CA 1.081 57.305 56.400 -0.292 0.000 0.809 351 E CB 0.062 29.583 29.700 -0.299 0.000 0.756 351 E HN 0.465 nan 8.360 nan 0.000 0.459 352 A N 0.329 123.088 122.820 -0.102 0.000 1.969 352 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 352 A C 2.306 179.877 177.584 -0.022 0.000 1.169 352 A CA 1.106 53.177 52.037 0.057 0.000 0.635 352 A CB -0.377 18.714 19.000 0.152 0.000 0.810 352 A HN 0.218 nan 8.150 nan 0.000 0.445 353 V N 0.166 120.032 119.914 -0.080 0.000 2.323 353 V HA -0.215 3.904 4.120 -0.000 0.000 0.244 353 V C 2.352 178.402 176.094 -0.073 0.000 1.041 353 V CA 2.058 64.314 62.300 -0.073 0.000 1.025 353 V CB -0.746 31.017 31.823 -0.100 0.000 0.656 353 V HN 0.610 nan 8.190 nan 0.000 0.451 354 E N -0.004 120.131 120.200 -0.108 0.000 2.204 354 E HA -0.184 4.165 4.350 -0.000 0.000 0.195 354 E C 2.203 178.777 176.600 -0.043 0.000 0.990 354 E CA 0.825 57.190 56.400 -0.059 0.000 0.821 354 E CB -0.140 29.545 29.700 -0.025 0.000 0.750 354 E HN 0.520 nan 8.360 nan 0.000 0.477 355 R N -0.485 119.973 120.500 -0.069 0.000 2.310 355 R HA 0.036 4.376 4.340 -0.000 0.000 0.202 355 R C 1.193 177.488 176.300 -0.009 0.000 0.933 355 R CA 0.496 56.567 56.100 -0.049 0.000 1.054 355 R CB 0.405 30.653 30.300 -0.087 0.000 0.985 355 R HN 0.248 nan 8.270 nan 0.000 0.489 356 G N 1.073 109.869 108.800 -0.007 0.000 2.184 356 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 356 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 356 G C 0.801 175.714 174.900 0.022 0.000 0.975 356 G CA 0.333 45.437 45.100 0.007 0.000 0.642 356 G HN 0.327 nan 8.290 nan 0.000 0.536 357 I N -0.204 120.389 120.570 0.039 0.000 2.252 357 I HA 0.088 4.258 4.170 -0.000 0.000 0.245 357 I C 1.449 177.595 176.117 0.049 0.000 1.102 357 I CA 0.997 62.335 61.300 0.064 0.000 1.385 357 I CB -0.108 37.967 38.000 0.125 0.000 1.064 357 I HN 0.120 nan 8.210 nan 0.000 0.414 358 L N 1.320 122.565 121.223 0.037 0.000 2.295 358 L HA 0.231 4.571 4.340 -0.000 0.000 0.285 358 L C 1.029 177.905 176.870 0.010 0.000 1.035 358 L CA -0.546 54.309 54.840 0.025 0.000 0.806 358 L CB 1.630 43.703 42.059 0.023 0.000 1.214 358 L HN -0.006 nan 8.230 nan 0.000 0.426 359 K N 1.536 121.942 120.400 0.009 0.000 2.167 359 K HA 0.090 4.410 4.320 -0.000 0.000 0.203 359 K C 0.074 176.673 176.600 -0.003 0.000 1.052 359 K CA 0.900 57.190 56.287 0.004 0.000 0.956 359 K CB 0.253 32.757 32.500 0.006 0.000 0.735 359 K HN 0.589 nan 8.250 nan 0.000 0.451 360 E N -0.881 119.317 120.200 -0.004 0.000 2.343 360 E HA 0.583 4.933 4.350 -0.000 0.000 0.270 360 E C -0.498 176.092 176.600 -0.015 0.000 0.895 360 E CA -0.766 55.628 56.400 -0.010 0.000 0.767 360 E CB 2.375 32.071 29.700 -0.007 0.000 1.248 360 E HN 0.174 nan 8.360 nan 0.000 0.440 361 G N 1.794 110.580 108.800 -0.025 0.000 2.359 361 G HA2 0.045 4.004 3.960 -0.000 0.000 0.314 361 G HA3 0.045 4.004 3.960 -0.000 0.000 0.314 361 G C -3.033 171.836 174.900 -0.053 0.000 1.364 361 G CA -1.053 44.027 45.100 -0.034 0.000 0.978 361 G HN 0.368 nan 8.290 nan 0.000 0.615 362 P HA 0.498 nan 4.420 nan 0.000 0.276 362 P C 0.097 177.313 177.300 -0.141 0.000 1.252 362 P CA 0.110 63.161 63.100 -0.082 0.000 0.802 362 P CB 1.260 32.917 31.700 -0.072 0.000 1.035 363 T N -2.626 111.850 114.554 -0.131 0.000 2.926 363 T HA 0.551 4.901 4.350 -0.000 0.000 0.289 363 T C 0.091 174.693 174.700 -0.162 0.000 1.054 363 T CA -0.696 61.282 62.100 -0.203 0.000 1.015 363 T CB 0.289 69.111 68.868 -0.076 0.000 1.167 363 T HN 0.060 nan 8.240 nan 0.000 0.526 364 F N 1.310 121.275 119.950 0.025 0.000 2.607 364 F HA 0.415 4.941 4.527 -0.000 0.000 0.374 364 F C 1.909 177.749 175.800 0.066 0.000 1.104 364 F CA 1.237 59.259 58.000 0.037 0.000 1.296 364 F CB -0.307 38.713 39.000 0.033 0.000 1.085 364 F HN 1.104 nan 8.300 nan 0.000 0.584 365 G N 1.709 110.679 108.800 0.283 0.000 2.217 365 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.246 365 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.246 365 G C 0.115 175.114 174.900 0.164 0.000 0.990 365 G CA 0.057 45.287 45.100 0.218 0.000 0.627 365 G HN 0.705 nan 8.290 nan 0.000 0.522 366 D N 0.359 120.836 120.400 0.128 0.000 2.470 366 D HA 0.397 5.036 4.640 -0.000 0.000 0.226 366 D C 1.215 177.584 176.300 0.115 0.000 1.196 366 D CA -0.799 53.257 54.000 0.094 0.000 0.979 366 D CB -0.450 40.368 40.800 0.030 0.000 1.059 366 D HN 0.123 nan 8.370 nan 0.000 0.515 367 F N 3.958 123.920 119.950 0.020 0.000 2.102 367 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 367 F C 1.748 177.553 175.800 0.008 0.000 1.105 367 F CA 1.475 59.484 58.000 0.015 0.000 1.239 367 F CB 0.080 39.087 39.000 0.012 0.000 0.991 367 F HN 0.193 nan 8.300 nan 0.000 0.474 368 K N 0.006 120.229 120.400 -0.295 0.000 2.063 368 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 368 K C 2.398 178.835 176.600 -0.272 0.000 1.048 368 K CA 1.335 57.384 56.287 -0.397 0.000 0.928 368 K CB -0.967 31.440 32.500 -0.154 0.000 0.713 368 K HN 0.460 nan 8.250 nan 0.000 0.442 369 G N 0.575 109.287 108.800 -0.146 0.000 2.408 369 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 369 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 369 G C 1.563 176.401 174.900 -0.104 0.000 1.150 369 G CA 0.811 45.850 45.100 -0.101 0.000 0.776 369 G HN 0.348 nan 8.290 nan 0.000 0.542 370 A N 0.739 123.496 122.820 -0.104 0.000 1.898 370 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 370 A C 2.192 179.714 177.584 -0.103 0.000 1.181 370 A CA 2.025 54.025 52.037 -0.063 0.000 0.620 370 A CB -0.399 18.609 19.000 0.014 0.000 0.819 370 A HN 0.376 nan 8.150 nan 0.000 0.442 371 K N -0.848 119.404 120.400 -0.245 0.000 2.026 371 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 371 K C 2.292 178.809 176.600 -0.139 0.000 1.048 371 K CA 1.870 58.011 56.287 -0.243 0.000 0.929 371 K CB -0.161 32.034 32.500 -0.509 0.000 0.713 371 K HN 0.393 nan 8.250 nan 0.000 0.439 372 Q N 0.941 120.655 119.800 -0.143 0.000 2.084 372 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 372 Q C 1.957 177.935 176.000 -0.037 0.000 0.978 372 Q CA 1.380 57.136 55.803 -0.079 0.000 0.844 372 Q CB -0.383 28.307 28.738 -0.079 0.000 0.898 372 Q HN 0.356 nan 8.270 nan 0.000 0.426 373 L N 0.120 121.320 121.223 -0.037 0.000 2.046 373 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 373 L C 2.047 178.923 176.870 0.011 0.000 1.077 373 L CA 2.212 57.047 54.840 -0.008 0.000 0.747 373 L CB -1.213 40.841 42.059 -0.007 0.000 0.896 373 L HN 0.243 nan 8.230 nan 0.000 0.432 374 A N -0.482 122.339 122.820 0.003 0.000 1.883 374 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 374 A C 2.281 179.875 177.584 0.015 0.000 1.186 374 A CA 2.143 54.191 52.037 0.018 0.000 0.624 374 A CB -0.935 18.072 19.000 0.011 0.000 0.822 374 A HN 0.501 nan 8.150 nan 0.000 0.444 375 L N -0.590 120.649 121.223 0.028 0.000 2.046 375 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 375 L C 1.977 178.935 176.870 0.148 0.000 1.077 375 L CA 1.414 56.312 54.840 0.096 0.000 0.747 375 L CB -0.627 41.493 42.059 0.103 0.000 0.896 375 L HN 0.299 nan 8.230 nan 0.000 0.432 376 D N 0.029 120.480 120.400 0.084 0.000 2.219 376 D HA -0.114 4.525 4.640 -0.000 0.000 0.205 376 D C 2.256 178.588 176.300 0.054 0.000 0.970 376 D CA 1.074 55.122 54.000 0.080 0.000 0.851 376 D CB 0.039 40.862 40.800 0.038 0.000 0.943 376 D HN 0.330 nan 8.370 nan 0.000 0.488 377 I N 0.987 121.571 120.570 0.023 0.000 2.202 377 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 377 I C 2.438 178.504 176.117 -0.085 0.000 1.091 377 I CA 0.909 62.203 61.300 -0.011 0.000 1.368 377 I CB -0.164 37.854 38.000 0.030 0.000 1.058 377 I HN -0.077 nan 8.210 nan 0.000 0.410 378 A N 0.032 122.770 122.820 -0.137 0.000 1.933 378 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 378 A C 1.830 179.158 177.584 -0.428 0.000 1.175 378 A CA 1.660 53.499 52.037 -0.329 0.000 0.628 378 A CB -0.786 17.939 19.000 -0.458 0.000 0.814 378 A HN 0.505 nan 8.150 nan 0.000 0.444 379 Y N -1.887 118.374 120.300 -0.066 0.000 2.457 379 Y HA 0.308 4.858 4.550 -0.000 0.000 0.263 379 Y C 0.717 176.590 175.900 -0.044 0.000 1.164 379 Y CA -0.055 58.010 58.100 -0.057 0.000 1.274 379 Y CB 0.089 38.519 38.460 -0.050 0.000 1.097 379 Y HN 0.263 nan 8.280 nan 0.000 0.523 380 R N 0.968 121.499 120.500 0.051 0.000 3.333 380 R HA -0.219 4.121 4.340 -0.000 0.000 0.256 380 R C -0.756 175.572 176.300 0.047 0.000 1.010 380 R CA 0.498 56.613 56.100 0.026 0.000 0.680 380 R CB -1.544 28.757 30.300 0.002 0.000 1.102 380 R HN 0.298 nan 8.270 nan 0.000 0.440 381 K N 0.881 121.317 120.400 0.060 0.000 2.253 381 K HA 0.435 4.755 4.320 -0.000 0.000 0.277 381 K C 0.673 177.286 176.600 0.022 0.000 1.053 381 K CA 0.493 56.803 56.287 0.040 0.000 0.892 381 K CB 1.650 34.173 32.500 0.038 0.000 1.102 381 K HN 0.453 nan 8.250 nan 0.000 0.469 382 G N 2.199 111.007 108.800 0.013 0.000 2.781 382 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.683 382 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.683 382 G C 0.419 175.324 174.900 0.009 0.000 1.390 382 G CA -0.557 44.547 45.100 0.008 0.000 0.850 382 G HN 0.733 nan 8.290 nan 0.000 0.557 383 E N -0.494 119.710 120.200 0.007 0.000 2.077 383 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 383 E C 2.668 179.276 176.600 0.013 0.000 0.989 383 E CA 1.425 57.830 56.400 0.009 0.000 0.800 383 E CB -0.021 29.684 29.700 0.008 0.000 0.746 383 E HN 0.394 nan 8.360 nan 0.000 0.452 384 L N 0.604 121.835 121.223 0.014 0.000 2.027 384 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 384 L C 2.244 179.129 176.870 0.024 0.000 1.074 384 L CA 2.130 56.982 54.840 0.020 0.000 0.745 384 L CB -0.933 41.136 42.059 0.015 0.000 0.898 384 L HN 0.098 nan 8.230 nan 0.000 0.433 385 G N -0.877 107.936 108.800 0.020 0.000 2.418 385 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 385 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 385 G C 1.531 176.439 174.900 0.013 0.000 1.158 385 G CA 0.718 45.831 45.100 0.022 0.000 0.771 385 G HN 0.438 nan 8.290 nan 0.000 0.545 386 N N 0.019 118.724 118.700 0.008 0.000 2.188 386 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 386 N C 2.129 177.639 175.510 -0.001 0.000 1.018 386 N CA 0.971 54.020 53.050 -0.003 0.000 0.858 386 N CB -0.132 38.354 38.487 -0.001 0.000 0.989 386 N HN 0.253 nan 8.380 nan 0.000 0.426 387 L N 1.464 122.695 121.223 0.013 0.000 2.005 387 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 387 L C 2.206 179.097 176.870 0.035 0.000 1.072 387 L CA 1.605 56.457 54.840 0.019 0.000 0.744 387 L CB -0.963 41.113 42.059 0.028 0.000 0.895 387 L HN 0.057 nan 8.230 nan 0.000 0.433 388 A N -0.564 122.289 122.820 0.056 0.000 2.019 388 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 388 A C 2.351 180.022 177.584 0.146 0.000 1.164 388 A CA 1.473 53.570 52.037 0.100 0.000 0.644 388 A CB -1.065 17.997 19.000 0.104 0.000 0.805 388 A HN 0.567 nan 8.150 nan 0.000 0.449 389 A N -0.528 122.316 122.820 0.041 0.000 2.121 389 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 389 A C 1.702 179.208 177.584 -0.130 0.000 1.154 389 A CA 1.362 53.336 52.037 -0.105 0.000 0.679 389 A CB -0.223 18.698 19.000 -0.131 0.000 0.795 389 A HN 0.434 nan 8.150 nan 0.000 0.458 390 E N -0.691 119.506 120.200 -0.005 0.000 2.442 390 E HA 0.276 4.626 4.350 -0.000 0.000 0.195 390 E C 1.074 177.721 176.600 0.078 0.000 1.030 390 E CA 0.764 57.164 56.400 0.001 0.000 0.869 390 E CB -0.250 29.444 29.700 -0.010 0.000 0.857 390 E HN 0.734 nan 8.360 nan 0.000 0.505 391 G N 0.440 109.363 108.800 0.206 0.000 2.662 391 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.686 391 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.686 391 G C 0.808 175.683 174.900 -0.042 0.000 1.271 391 G CA -0.222 44.977 45.100 0.165 0.000 0.816 391 G HN 0.225 nan 8.290 nan 0.000 0.608 392 V N -1.025 118.800 119.914 -0.149 0.000 2.515 392 V HA -0.017 4.103 4.120 -0.000 0.000 0.250 392 V C 2.566 178.453 176.094 -0.345 0.000 1.058 392 V CA 2.809 64.906 62.300 -0.338 0.000 1.064 392 V CB -0.646 30.960 31.823 -0.362 0.000 0.675 392 V HN 0.966 nan 8.190 nan 0.000 0.461 393 K N 0.991 121.173 120.400 -0.363 0.000 2.002 393 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 393 K C 2.301 178.784 176.600 -0.195 0.000 1.048 393 K CA 1.753 57.786 56.287 -0.423 0.000 0.930 393 K CB -0.583 31.517 32.500 -0.667 0.000 0.714 393 K HN 0.545 nan 8.250 nan 0.000 0.438 394 A N 1.423 124.157 122.820 -0.143 0.000 1.902 394 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 394 A C 2.174 179.718 177.584 -0.066 0.000 1.181 394 A CA 1.836 53.826 52.037 -0.079 0.000 0.623 394 A CB -0.577 18.393 19.000 -0.051 0.000 0.818 394 A HN 0.567 nan 8.150 nan 0.000 0.443 395 M N -0.321 119.228 119.600 -0.084 0.000 2.159 395 M HA -0.112 4.367 4.480 -0.000 0.000 0.263 395 M C 2.146 178.420 176.300 -0.044 0.000 1.063 395 M CA 1.730 56.997 55.300 -0.054 0.000 1.110 395 M CB -0.191 32.376 32.600 -0.055 0.000 1.374 395 M HN 0.394 nan 8.290 nan 0.000 0.411 396 A N -0.202 122.550 122.820 -0.113 0.000 1.969 396 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 396 A C 1.980 179.557 177.584 -0.011 0.000 1.169 396 A CA 1.461 53.464 52.037 -0.057 0.000 0.635 396 A CB -0.642 18.294 19.000 -0.107 0.000 0.810 396 A HN 0.541 nan 8.150 nan 0.000 0.445 397 E N 0.049 120.237 120.200 -0.020 0.000 2.072 397 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 397 E C 2.010 178.607 176.600 -0.005 0.000 0.985 397 E CA 1.582 57.976 56.400 -0.010 0.000 0.801 397 E CB -0.110 29.578 29.700 -0.020 0.000 0.750 397 E HN 0.617 nan 8.360 nan 0.000 0.452 398 K N 0.620 121.017 120.400 -0.005 0.000 2.103 398 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 398 K C 1.961 178.570 176.600 0.015 0.000 1.052 398 K CA 0.905 57.194 56.287 0.004 0.000 0.945 398 K CB -0.141 32.361 32.500 0.003 0.000 0.722 398 K HN 0.079 nan 8.250 nan 0.000 0.443 399 L N -0.830 120.407 121.223 0.023 0.000 2.585 399 L HA 0.299 4.639 4.340 -0.000 0.000 0.226 399 L C 0.933 177.819 176.870 0.028 0.000 1.113 399 L CA 0.252 55.112 54.840 0.035 0.000 0.876 399 L CB -0.060 42.034 42.059 0.058 0.000 1.072 399 L HN 0.500 nan 8.230 nan 0.000 0.468 400 G N 1.263 110.074 108.800 0.018 0.000 2.198 400 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 400 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 400 G C 0.557 175.463 174.900 0.011 0.000 1.042 400 G CA 0.584 45.698 45.100 0.024 0.000 0.791 400 G HN 0.406 nan 8.290 nan 0.000 0.502 401 T N -3.135 111.382 114.554 -0.061 0.000 3.258 401 T HA 0.379 4.729 4.350 -0.000 0.000 0.263 401 T C 1.266 175.773 174.700 -0.322 0.000 0.983 401 T CA 0.695 62.605 62.100 -0.317 0.000 0.907 401 T CB 0.238 68.713 68.868 -0.656 0.000 1.096 401 T HN 0.604 nan 8.240 nan 0.000 0.556 402 H N 1.946 120.928 119.070 -0.146 0.000 2.426 402 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 402 H C 1.359 176.649 175.328 -0.063 0.000 1.107 402 H CA 2.038 58.038 56.048 -0.081 0.000 1.298 402 H CB -0.218 29.527 29.762 -0.028 0.000 1.377 402 H HN 0.263 nan 8.280 nan 0.000 0.519 403 D N -0.113 120.207 120.400 -0.133 0.000 2.182 403 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 403 D C 0.954 177.268 176.300 0.025 0.000 0.986 403 D CA 1.515 55.489 54.000 -0.044 0.000 0.847 403 D CB -0.280 40.623 40.800 0.171 0.000 0.942 403 D HN 0.718 nan 8.370 nan 0.000 0.467 404 F N -1.836 118.093 119.950 -0.035 0.000 2.805 404 F HA 0.634 5.161 4.527 -0.000 0.000 0.317 404 F C 0.102 175.981 175.800 0.133 0.000 1.146 404 F CA -1.220 56.782 58.000 0.003 0.000 1.265 404 F CB -0.284 38.726 39.000 0.017 0.000 0.992 404 F HN -0.210 nan 8.300 nan 0.000 0.511 405 A N 2.447 125.232 122.820 -0.059 0.000 2.506 405 A HA 0.530 4.850 4.320 -0.000 0.000 0.320 405 A C 0.219 177.695 177.584 -0.179 0.000 1.424 405 A CA -0.442 51.541 52.037 -0.089 0.000 1.044 405 A CB -0.144 18.782 19.000 -0.123 0.000 1.140 405 A HN 0.322 nan 8.150 nan 0.000 0.538 406 M N 4.549 124.038 119.600 -0.186 0.000 2.775 406 M HA 0.228 4.708 4.480 -0.000 0.000 0.313 406 M C -0.095 175.991 176.300 -0.357 0.000 1.429 406 M CA 0.405 55.428 55.300 -0.463 0.000 1.494 406 M CB -1.576 30.636 32.600 -0.648 0.000 1.274 406 M HN 0.896 nan 8.290 nan 0.000 0.491 407 H N -0.353 118.489 119.070 -0.380 0.000 2.990 407 H HA 0.841 5.397 4.556 -0.000 0.000 0.336 407 H C -1.827 173.389 175.328 -0.187 0.000 1.306 407 H CA -1.122 54.782 56.048 -0.240 0.000 1.118 407 H CB 1.323 31.004 29.762 -0.134 0.000 1.856 407 H HN 0.094 nan 8.280 nan 0.000 0.538 408 V N 1.919 121.823 119.914 -0.018 0.000 2.569 408 V HA 0.294 4.414 4.120 -0.000 0.000 0.301 408 V C -0.126 176.106 176.094 0.229 0.000 1.044 408 V CA -0.965 61.343 62.300 0.014 0.000 0.874 408 V CB 1.307 33.152 31.823 0.037 0.000 1.002 408 V HN 0.987 nan 8.190 nan 0.000 0.424 409 K N 3.288 123.834 120.400 0.244 0.000 3.274 409 K HA -0.247 4.072 4.320 -0.000 0.000 0.300 409 K C 1.105 177.944 176.600 0.398 0.000 1.230 409 K CA 0.908 57.349 56.287 0.258 0.000 0.884 409 K CB -1.393 31.141 32.500 0.057 0.000 1.242 409 K HN 1.654 nan 8.250 nan 0.000 0.467 410 G N -0.264 108.764 108.800 0.379 0.000 2.195 410 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 410 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 410 G C -0.191 174.778 174.900 0.114 0.000 0.984 410 G CA 0.149 45.277 45.100 0.047 0.000 0.633 410 G HN 0.204 nan 8.290 nan 0.000 0.525 411 L N 1.709 123.077 121.223 0.241 0.000 2.275 411 L HA 0.804 5.144 4.340 -0.000 0.000 0.288 411 L C 0.219 177.176 176.870 0.145 0.000 1.046 411 L CA -1.218 53.740 54.840 0.197 0.000 0.805 411 L CB 1.006 43.222 42.059 0.263 0.000 1.193 411 L HN 0.164 nan 8.230 nan 0.000 0.426 412 E N 2.781 123.018 120.200 0.061 0.000 2.452 412 E HA 0.128 4.478 4.350 -0.000 0.000 0.261 412 E C -0.444 176.138 176.600 -0.031 0.000 0.987 412 E CA 0.138 56.534 56.400 -0.008 0.000 0.926 412 E CB 0.506 30.165 29.700 -0.068 0.000 0.934 412 E HN 0.426 nan 8.360 nan 0.000 0.452 413 V N 3.487 123.295 119.914 -0.176 0.000 2.763 413 V HA 0.011 4.131 4.120 -0.000 0.000 0.306 413 V C 0.956 177.063 176.094 0.023 0.000 1.059 413 V CA 0.263 62.380 62.300 -0.306 0.000 1.138 413 V CB 0.858 32.199 31.823 -0.804 0.000 0.940 413 V HN 0.870 nan 8.190 nan 0.000 0.489 414 S N 3.903 119.732 115.700 0.214 0.000 2.397 414 S HA 0.322 4.792 4.470 -0.000 0.000 0.261 414 S C 1.377 176.210 174.600 0.388 0.000 1.187 414 S CA 0.101 58.526 58.200 0.374 0.000 1.023 414 S CB 0.343 63.885 63.200 0.570 0.000 1.103 414 S HN 1.012 nan 8.310 nan 0.000 0.474 415 G N -0.474 108.408 108.800 0.137 0.000 3.186 415 G HA2 0.273 4.233 3.960 -0.000 0.000 0.214 415 G HA3 0.273 4.233 3.960 -0.000 0.000 0.214 415 G C -0.813 173.860 174.900 -0.378 0.000 1.222 415 G CA 0.026 45.005 45.100 -0.202 0.000 0.921 415 G HN 0.508 nan 8.290 nan 0.000 0.504 416 Y N -0.437 120.183 120.300 0.533 0.000 2.326 416 Y HA 0.347 4.897 4.550 -0.000 0.000 0.329 416 Y C -0.198 176.003 175.900 0.502 0.000 0.973 416 Y CA -1.713 56.672 58.100 0.475 0.000 1.162 416 Y CB 1.292 40.039 38.460 0.478 0.000 1.147 416 Y HN -0.097 nan 8.280 nan 0.000 0.456 417 N N 2.141 121.097 118.700 0.427 0.000 2.408 417 N HA 0.163 4.903 4.740 -0.000 0.000 0.257 417 N C -0.687 174.789 175.510 -0.058 0.000 1.064 417 N CA -0.183 53.082 53.050 0.357 0.000 0.952 417 N CB 0.806 39.503 38.487 0.350 0.000 1.093 417 N HN 0.710 nan 8.380 nan 0.000 0.490 418 C N 4.299 123.016 119.300 -0.971 0.000 2.470 418 C HA 0.212 4.672 4.460 -0.000 0.000 0.311 418 C C 1.489 175.848 174.990 -1.051 0.000 1.387 418 C CA -0.640 57.767 59.018 -1.018 0.000 1.783 418 C CB -2.227 24.833 27.740 -1.133 0.000 2.416 418 C HN 0.725 nan 8.230 nan 0.000 0.558 419 Y N 1.818 121.675 120.300 -0.737 0.000 2.193 419 Y HA -0.154 4.396 4.550 -0.000 0.000 0.285 419 Y C 2.091 177.788 175.900 -0.337 0.000 1.166 419 Y CA 1.828 59.697 58.100 -0.384 0.000 1.181 419 Y CB -0.169 38.222 38.460 -0.115 0.000 0.976 419 Y HN 0.504 nan 8.280 nan 0.000 0.520 420 I N -4.395 115.972 120.570 -0.339 0.000 3.936 420 I HA 0.220 4.390 4.170 -0.000 0.000 0.330 420 I C -1.121 174.525 176.117 -0.785 0.000 1.509 420 I CA -0.214 60.771 61.300 -0.524 0.000 1.126 420 I CB 0.001 37.641 38.000 -0.601 0.000 1.115 420 I HN -0.168 nan 8.210 nan 0.000 0.424 421 Y N 1.646 121.831 120.300 -0.192 0.000 2.863 421 Y HA 0.480 5.030 4.550 -0.000 0.000 0.348 421 Y C -1.974 173.831 175.900 -0.159 0.000 1.028 421 Y CA -2.558 55.446 58.100 -0.161 0.000 1.213 421 Y CB 0.646 38.990 38.460 -0.193 0.000 1.120 421 Y HN -0.013 nan 8.280 nan 0.000 0.598 422 P HA -0.258 nan 4.420 nan 0.000 0.216 422 P C 1.453 178.789 177.300 0.060 0.000 1.153 422 P CA 2.372 65.413 63.100 -0.097 0.000 0.858 422 P CB 0.459 31.840 31.700 -0.532 0.000 0.789 423 A N -1.357 121.504 122.820 0.068 0.000 1.930 423 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 423 A C 2.212 179.837 177.584 0.069 0.000 1.175 423 A CA 1.874 53.967 52.037 0.092 0.000 0.627 423 A CB -1.377 17.725 19.000 0.170 0.000 0.815 423 A HN 0.102 nan 8.150 nan 0.000 0.443 424 M N 0.136 119.775 119.600 0.064 0.000 2.175 424 M HA 0.069 4.548 4.480 -0.000 0.000 0.264 424 M C 2.105 178.477 176.300 0.120 0.000 1.063 424 M CA 1.423 56.732 55.300 0.015 0.000 1.119 424 M CB -0.615 31.980 32.600 -0.009 0.000 1.377 424 M HN 0.369 nan 8.290 nan 0.000 0.415 425 A N -0.327 122.588 122.820 0.159 0.000 1.933 425 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 425 A C 2.114 179.911 177.584 0.356 0.000 1.175 425 A CA 1.719 53.918 52.037 0.271 0.000 0.628 425 A CB -1.083 17.969 19.000 0.088 0.000 0.814 425 A HN 0.551 nan 8.150 nan 0.000 0.444 426 L N -0.436 120.985 121.223 0.330 0.000 2.093 426 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 426 L C 2.643 179.557 176.870 0.073 0.000 1.085 426 L CA 1.972 56.955 54.840 0.238 0.000 0.755 426 L CB -0.646 41.436 42.059 0.039 0.000 0.904 426 L HN 0.326 nan 8.230 nan 0.000 0.435 427 A N -1.166 121.684 122.820 0.051 0.000 1.877 427 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 427 A C 2.135 179.765 177.584 0.077 0.000 1.186 427 A CA 1.982 54.020 52.037 0.001 0.000 0.620 427 A CB -1.109 17.842 19.000 -0.081 0.000 0.822 427 A HN 0.526 nan 8.150 nan 0.000 0.443 428 Y N 0.116 120.540 120.300 0.206 0.000 2.200 428 Y HA -0.038 4.512 4.550 -0.000 0.000 0.290 428 Y C 2.803 178.803 175.900 0.166 0.000 1.137 428 Y CA 0.771 59.010 58.100 0.231 0.000 1.163 428 Y CB -1.033 37.608 38.460 0.302 0.000 0.988 428 Y HN 0.313 nan 8.280 nan 0.000 0.518 429 G N -1.273 107.718 108.800 0.318 0.000 2.422 429 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 429 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 429 G C 1.600 176.595 174.900 0.157 0.000 1.146 429 G CA 1.692 46.928 45.100 0.227 0.000 0.769 429 G HN 0.459 nan 8.290 nan 0.000 0.547 430 T N -2.341 112.258 114.554 0.076 0.000 3.069 430 T HA 0.311 4.661 4.350 -0.000 0.000 0.252 430 T C 1.242 176.061 174.700 0.199 0.000 1.053 430 T CA 0.568 62.693 62.100 0.042 0.000 0.964 430 T CB 0.054 68.654 68.868 -0.447 0.000 1.005 430 T HN 0.146 nan 8.240 nan 0.000 0.532 431 S N 1.068 116.895 115.700 0.212 0.000 2.626 431 S HA 0.308 4.778 4.470 -0.000 0.000 0.303 431 S C 1.773 176.519 174.600 0.244 0.000 1.256 431 S CA 0.166 58.524 58.200 0.264 0.000 1.069 431 S CB 0.042 63.416 63.200 0.290 0.000 0.807 431 S HN 0.621 nan 8.310 nan 0.000 0.500 432 A N 5.146 128.109 122.820 0.238 0.000 1.978 432 A HA -0.085 4.234 4.320 -0.000 0.000 0.220 432 A C 1.788 179.609 177.584 0.395 0.000 1.170 432 A CA 1.799 53.941 52.037 0.175 0.000 0.636 432 A CB -0.726 18.189 19.000 -0.142 0.000 0.810 432 A HN 1.110 nan 8.150 nan 0.000 0.448 433 I N -5.214 115.620 120.570 0.439 0.000 3.956 433 I HA 0.551 4.721 4.170 -0.000 0.000 0.333 433 I C 0.813 177.289 176.117 0.599 0.000 1.302 433 I CA 0.244 61.926 61.300 0.637 0.000 1.122 433 I CB -0.127 38.151 38.000 0.464 0.000 1.013 433 I HN 0.396 nan 8.210 nan 0.000 0.405 434 G N 1.478 110.508 108.800 0.384 0.000 2.423 434 G HA2 0.204 4.164 3.960 -0.000 0.000 0.684 434 G HA3 0.204 4.164 3.960 -0.000 0.000 0.684 434 G C -0.334 174.770 174.900 0.341 0.000 1.309 434 G CA -0.603 44.690 45.100 0.322 0.000 0.950 434 G HN 0.689 nan 8.290 nan 0.000 0.587 435 A N 0.963 123.968 122.820 0.308 0.000 2.563 435 A HA 0.482 4.802 4.320 -0.000 0.000 0.256 435 A C 0.461 178.354 177.584 0.515 0.000 1.056 435 A CA 1.754 54.033 52.037 0.404 0.000 0.775 435 A CB -0.337 18.763 19.000 0.165 0.000 0.973 435 A HN 2.081 nan 8.150 nan 0.000 0.516 436 H N 1.527 120.934 119.070 0.562 0.000 3.060 436 H HA 0.207 4.762 4.556 -0.000 0.000 0.330 436 H C 0.305 175.810 175.328 0.294 0.000 1.305 436 H CA -0.381 55.929 56.048 0.437 0.000 1.209 436 H CB 0.928 30.825 29.762 0.226 0.000 1.913 436 H HN 0.807 nan 8.280 nan 0.000 0.534 437 H N 2.356 121.829 119.070 0.672 0.000 2.553 437 H HA 0.123 4.678 4.556 -0.000 0.000 0.265 437 H C 1.511 176.962 175.328 0.205 0.000 0.964 437 H CA 0.288 56.496 56.048 0.267 0.000 1.156 437 H CB 0.621 30.625 29.762 0.404 0.000 1.411 437 H HN 0.456 nan 8.280 nan 0.000 0.558 438 K N 1.940 122.093 120.400 -0.412 0.000 2.015 438 K HA -0.225 4.095 4.320 -0.000 0.000 0.216 438 K C 1.456 177.996 176.600 -0.101 0.000 1.052 438 K CA 2.282 58.294 56.287 -0.459 0.000 0.937 438 K CB 0.009 31.988 32.500 -0.868 0.000 0.719 438 K HN 0.430 nan 8.250 nan 0.000 0.446 439 E N -0.621 119.574 120.200 -0.009 0.000 2.274 439 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 439 E C -0.092 176.587 176.600 0.131 0.000 0.996 439 E CA 0.566 57.045 56.400 0.132 0.000 0.840 439 E CB 0.259 30.106 29.700 0.244 0.000 0.772 439 E HN 0.386 nan 8.360 nan 0.000 0.491 440 A N 0.940 123.817 122.820 0.096 0.000 2.686 440 A HA 0.189 4.508 4.320 -0.000 0.000 0.299 440 A C -1.989 175.640 177.584 0.075 0.000 1.151 440 A CA -0.639 51.438 52.037 0.067 0.000 0.851 440 A CB -0.267 18.744 19.000 0.017 0.000 1.448 440 A HN 0.286 nan 8.150 nan 0.000 0.404 441 W N 4.090 125.319 121.300 -0.118 0.000 2.120 441 W HA 0.468 5.128 4.660 -0.000 0.000 0.371 441 W C 0.085 176.489 176.519 -0.191 0.000 0.865 441 W CA -0.370 56.857 57.345 -0.196 0.000 1.529 441 W CB 1.223 30.570 29.460 -0.188 0.000 1.623 441 W HN 0.463 nan 8.180 nan 0.000 0.325 442 V N 7.782 127.516 119.914 -0.301 0.000 3.647 442 V HA -0.025 4.095 4.120 -0.000 0.000 0.279 442 V C 1.605 177.545 176.094 -0.257 0.000 1.314 442 V CA 0.882 63.020 62.300 -0.270 0.000 1.125 442 V CB -0.312 31.413 31.823 -0.162 0.000 0.907 442 V HN 0.639 nan 8.190 nan 0.000 0.434 443 I N 0.479 120.751 120.570 -0.496 0.000 2.361 443 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 443 I C 2.354 178.255 176.117 -0.359 0.000 1.133 443 I CA 1.714 62.751 61.300 -0.440 0.000 1.413 443 I CB -0.160 37.529 38.000 -0.518 0.000 1.073 443 I HN 0.370 nan 8.210 nan 0.000 0.424 444 A N 0.428 122.856 122.820 -0.654 0.000 1.877 444 A HA -0.294 4.026 4.320 -0.000 0.000 0.216 444 A C 2.114 179.611 177.584 -0.146 0.000 1.186 444 A CA 1.755 53.518 52.037 -0.457 0.000 0.620 444 A CB -1.448 16.837 19.000 -1.192 0.000 0.822 444 A HN 0.788 nan 8.150 nan 0.000 0.443 445 W N 0.776 121.861 121.300 -0.358 0.000 2.363 445 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 445 W C 1.873 178.338 176.519 -0.090 0.000 1.212 445 W CA 1.717 58.947 57.345 -0.191 0.000 1.260 445 W CB -0.038 29.309 29.460 -0.188 0.000 1.131 445 W HN 0.460 nan 8.180 nan 0.000 0.530 446 E N 0.100 120.353 120.200 0.088 0.000 2.153 446 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 446 E C 2.049 178.668 176.600 0.031 0.000 0.988 446 E CA 1.698 58.081 56.400 -0.028 0.000 0.811 446 E CB -0.297 29.515 29.700 0.188 0.000 0.746 446 E HN 0.418 nan 8.360 nan 0.000 0.466 447 I N -1.226 119.348 120.570 0.007 0.000 2.585 447 I HA 0.010 4.180 4.170 -0.000 0.000 0.254 447 I C 1.698 177.845 176.117 0.050 0.000 1.129 447 I CA 0.785 62.114 61.300 0.050 0.000 1.455 447 I CB 0.330 38.296 38.000 -0.056 0.000 1.111 447 I HN 0.278 nan 8.210 nan 0.000 0.433 448 G N 1.216 110.016 108.800 -0.000 0.000 2.179 448 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 448 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 448 G C 0.473 175.404 174.900 0.052 0.000 0.990 448 G CA 0.265 45.357 45.100 -0.014 0.000 0.646 448 G HN 0.463 nan 8.290 nan 0.000 0.517 449 T N -2.260 112.384 114.554 0.151 0.000 2.887 449 T HA 0.977 5.326 4.350 -0.000 0.000 0.292 449 T C -0.326 174.459 174.700 0.142 0.000 1.087 449 T CA 0.291 62.521 62.100 0.216 0.000 1.009 449 T CB 2.423 71.510 68.868 0.365 0.000 1.203 449 T HN 1.904 nan 8.240 nan 0.000 0.518 450 A N 0.839 123.596 122.820 -0.105 0.000 2.539 450 A HA 0.806 5.126 4.320 -0.000 0.000 0.296 450 A C -2.407 174.782 177.584 -0.659 0.000 1.073 450 A CA -1.918 49.755 52.037 -0.607 0.000 0.700 450 A CB 1.086 19.902 19.000 -0.306 0.000 1.296 450 A HN 0.562 nan 8.150 nan 0.000 0.405 451 P HA -0.187 nan 4.420 nan 0.000 0.216 451 P C 1.251 178.597 177.300 0.078 0.000 1.157 451 P CA 1.927 64.850 63.100 -0.296 0.000 0.880 451 P CB -0.274 31.296 31.700 -0.218 0.000 0.791 452 I N -2.573 118.060 120.570 0.106 0.000 2.800 452 I HA -0.119 4.051 4.170 -0.000 0.000 0.266 452 I C 0.939 177.138 176.117 0.137 0.000 1.249 452 I CA 0.805 62.285 61.300 0.300 0.000 1.458 452 I CB -1.585 36.554 38.000 0.232 0.000 1.093 452 I HN -0.002 nan 8.210 nan 0.000 0.466 463 K N 7.738 127.614 120.400 -0.873 0.000 2.426 463 K HA 0.493 4.813 4.320 -0.000 0.000 0.254 463 K C -1.144 174.913 176.600 -0.905 0.000 0.936 463 K CA -0.566 55.337 56.287 -0.640 0.000 0.801 463 K CB 1.247 33.559 32.500 -0.314 0.000 1.139 463 K HN 0.838 nan 8.250 nan 0.000 0.424 464 I N 2.747 122.979 120.570 -0.564 0.000 2.662 464 I HA -0.054 4.115 4.170 -0.000 0.000 0.285 464 I C 0.606 176.575 176.117 -0.248 0.000 1.161 464 I CA 0.491 61.567 61.300 -0.374 0.000 1.415 464 I CB 0.770 38.670 38.000 -0.166 0.000 1.385 464 I HN 0.477 nan 8.210 nan 0.000 0.552 465 S N 5.634 121.166 115.700 -0.281 0.000 2.548 465 S HA 0.508 4.978 4.470 -0.000 0.000 0.286 465 S C -0.523 173.956 174.600 -0.202 0.000 1.098 465 S CA -0.535 57.582 58.200 -0.139 0.000 0.930 465 S CB 0.997 64.108 63.200 -0.148 0.000 1.070 465 S HN 0.443 nan 8.310 nan 0.000 0.480 466 Y N 1.132 121.427 120.300 -0.008 0.000 2.696 466 Y HA 0.335 4.885 4.550 -0.000 0.000 0.260 466 Y C 0.567 176.476 175.900 0.015 0.000 1.165 466 Y CA -0.818 57.293 58.100 0.018 0.000 1.189 466 Y CB 0.291 38.763 38.460 0.021 0.000 1.180 466 Y HN 0.630 nan 8.280 nan 0.000 0.538 467 D N 2.118 122.588 120.400 0.117 0.000 2.581 467 D HA -0.067 4.573 4.640 -0.000 0.000 0.238 467 D C -1.674 174.679 176.300 0.090 0.000 1.145 467 D CA -0.939 53.112 54.000 0.085 0.000 0.866 467 D CB 1.376 42.210 40.800 0.058 0.000 1.151 467 D HN 0.132 nan 8.370 nan 0.000 0.500 468 P HA -0.155 nan 4.420 nan 0.000 0.219 468 P C 1.424 178.749 177.300 0.042 0.000 1.144 468 P CA 0.444 63.571 63.100 0.044 0.000 0.806 468 P CB 0.126 31.842 31.700 0.026 0.000 0.771 469 I N -0.553 120.058 120.570 0.067 0.000 2.700 469 I HA -0.191 3.979 4.170 -0.000 0.000 0.261 469 I C 1.734 177.910 176.117 0.098 0.000 1.219 469 I CA 1.476 62.822 61.300 0.077 0.000 1.463 469 I CB -0.445 37.627 38.000 0.120 0.000 1.092 469 I HN -0.157 nan 8.210 nan 0.000 0.452 470 K N 0.182 120.670 120.400 0.147 0.000 2.097 470 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 470 K C 2.145 178.746 176.600 0.002 0.000 1.050 470 K CA 1.277 57.652 56.287 0.147 0.000 0.938 470 K CB -0.290 32.322 32.500 0.186 0.000 0.718 470 K HN 0.413 nan 8.250 nan 0.000 0.442 471 A N 1.228 124.055 122.820 0.011 0.000 1.969 471 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 471 A C 2.127 179.687 177.584 -0.040 0.000 1.169 471 A CA 1.532 53.581 52.037 0.021 0.000 0.635 471 A CB -0.383 18.633 19.000 0.027 0.000 0.810 471 A HN 0.244 nan 8.150 nan 0.000 0.445 472 Q N 0.170 119.917 119.800 -0.088 0.000 2.079 472 Q HA -0.158 4.181 4.340 -0.000 0.000 0.200 472 Q C 1.959 177.825 176.000 -0.222 0.000 0.974 472 Q CA 2.256 57.968 55.803 -0.151 0.000 0.840 472 Q CB -0.247 28.419 28.738 -0.119 0.000 0.898 472 Q HN 0.482 nan 8.270 nan 0.000 0.430 473 K N -0.748 119.481 120.400 -0.284 0.000 2.097 473 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 473 K C 1.792 178.167 176.600 -0.375 0.000 1.050 473 K CA 1.398 57.393 56.287 -0.488 0.000 0.938 473 K CB -0.486 31.411 32.500 -1.006 0.000 0.718 473 K HN 0.159 nan 8.250 nan 0.000 0.442 474 V N -0.041 119.731 119.914 -0.238 0.000 2.343 474 V HA -0.203 3.916 4.120 -0.000 0.000 0.247 474 V C 2.216 178.256 176.094 -0.090 0.000 1.051 474 V CA 1.628 63.856 62.300 -0.119 0.000 1.036 474 V CB -0.249 31.564 31.823 -0.017 0.000 0.654 474 V HN 0.139 nan 8.190 nan 0.000 0.451 475 V N -0.202 119.638 119.914 -0.123 0.000 2.343 475 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 475 V C 2.399 178.316 176.094 -0.295 0.000 1.051 475 V CA 2.052 64.203 62.300 -0.247 0.000 1.036 475 V CB -0.603 31.003 31.823 -0.362 0.000 0.654 475 V HN 0.619 nan 8.190 nan 0.000 0.451 476 E N -0.054 119.968 120.200 -0.297 0.000 2.051 476 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 476 E C 2.236 178.699 176.600 -0.228 0.000 0.991 476 E CA 1.296 57.495 56.400 -0.335 0.000 0.799 476 E CB -0.194 29.301 29.700 -0.341 0.000 0.748 476 E HN 0.495 nan 8.360 nan 0.000 0.449 477 L N 0.737 121.864 121.223 -0.160 0.000 2.093 477 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 477 L C 2.490 179.371 176.870 0.019 0.000 1.085 477 L CA 1.089 55.917 54.840 -0.020 0.000 0.755 477 L CB -0.283 41.755 42.059 -0.034 0.000 0.904 477 L HN 0.156 nan 8.230 nan 0.000 0.435 478 Q N -0.379 119.380 119.800 -0.069 0.000 2.167 478 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 478 Q C 2.319 178.248 176.000 -0.118 0.000 0.970 478 Q CA 1.107 56.863 55.803 -0.079 0.000 0.855 478 Q CB -0.029 28.536 28.738 -0.288 0.000 0.911 478 Q HN 0.434 nan 8.270 nan 0.000 0.438 479 R N 0.129 120.521 120.500 -0.179 0.000 2.096 479 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 479 R C 2.126 178.453 176.300 0.046 0.000 1.127 479 R CA 1.109 57.159 56.100 -0.083 0.000 0.968 479 R CB -0.120 30.105 30.300 -0.124 0.000 0.861 479 R HN 0.232 nan 8.270 nan 0.000 0.440 480 L N -0.669 120.582 121.223 0.046 0.000 2.084 480 L HA -0.020 4.320 4.340 -0.000 0.000 0.202 480 L C 2.426 179.457 176.870 0.268 0.000 1.074 480 L CA 1.107 55.986 54.840 0.065 0.000 0.757 480 L CB -0.214 41.823 42.059 -0.037 0.000 0.918 480 L HN 0.043 nan 8.230 nan 0.000 0.444 481 R N -0.203 120.498 120.500 0.334 0.000 2.075 481 R HA 0.020 4.359 4.340 -0.000 0.000 0.226 481 R C 2.113 178.576 176.300 0.273 0.000 1.114 481 R CA 1.105 57.423 56.100 0.363 0.000 0.972 481 R CB -0.437 30.038 30.300 0.291 0.000 0.869 481 R HN 0.335 nan 8.270 nan 0.000 0.437 482 G N -0.842 108.130 108.800 0.286 0.000 2.939 482 G HA2 0.068 4.028 3.960 -0.000 0.000 0.210 482 G HA3 0.068 4.028 3.960 -0.000 0.000 0.210 482 G C 0.806 175.931 174.900 0.376 0.000 1.160 482 G CA 0.445 45.757 45.100 0.354 0.000 0.770 482 G HN 0.396 nan 8.290 nan 0.000 0.543 483 G N 0.582 109.560 108.800 0.298 0.000 2.495 483 G HA2 0.234 4.194 3.960 -0.000 0.000 0.219 483 G HA3 0.234 4.194 3.960 -0.000 0.000 0.219 483 G C 1.367 176.312 174.900 0.076 0.000 1.875 483 G CA 0.494 45.726 45.100 0.220 0.000 0.757 483 G HN 0.174 nan 8.290 nan 0.000 0.682 484 L N 0.311 121.512 121.223 -0.036 0.000 1.976 484 L HA -0.105 4.234 4.340 -0.000 0.000 0.223 484 L C 2.631 179.280 176.870 -0.368 0.000 1.081 484 L CA 2.199 56.872 54.840 -0.278 0.000 0.784 484 L CB -0.877 40.893 42.059 -0.481 0.000 0.896 484 L HN 0.224 nan 8.230 nan 0.000 0.438 485 F N -0.276 119.602 119.950 -0.121 0.000 2.269 485 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 485 F C 2.371 178.143 175.800 -0.048 0.000 1.082 485 F CA 1.033 58.956 58.000 -0.129 0.000 1.360 485 F CB -0.457 38.496 39.000 -0.077 0.000 1.041 485 F HN 0.202 nan 8.300 nan 0.000 0.512 486 E N -0.752 119.535 120.200 0.145 0.000 2.478 486 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 486 E C 1.862 178.522 176.600 0.100 0.000 1.045 486 E CA 0.561 57.040 56.400 0.132 0.000 0.868 486 E CB -0.130 29.657 29.700 0.146 0.000 0.885 486 E HN 0.460 nan 8.360 nan 0.000 0.505 487 M N -0.812 118.812 119.600 0.040 0.000 2.571 487 M HA 0.137 4.617 4.480 -0.000 0.000 0.259 487 M C 1.930 178.231 176.300 0.001 0.000 1.205 487 M CA 0.173 55.499 55.300 0.043 0.000 1.138 487 M CB 0.329 32.945 32.600 0.027 0.000 1.329 487 M HN -0.004 nan 8.290 nan 0.000 0.503 488 L N -0.373 120.765 121.223 -0.141 0.000 1.989 488 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 488 L C 1.460 178.317 176.870 -0.023 0.000 1.071 488 L CA 1.025 55.706 54.840 -0.266 0.000 0.749 488 L CB -0.655 40.935 42.059 -0.783 0.000 0.890 488 L HN 0.234 nan 8.230 nan 0.000 0.431 489 T N -0.902 113.692 114.554 0.066 0.000 2.823 489 T HA 0.693 5.043 4.350 -0.000 0.000 0.279 489 T C -0.727 174.038 174.700 0.108 0.000 0.998 489 T CA -0.308 61.826 62.100 0.057 0.000 0.994 489 T CB 1.541 70.484 68.868 0.126 0.000 0.960 489 T HN 0.259 nan 8.240 nan 0.000 0.448 490 A N 2.654 125.556 122.820 0.137 0.000 2.566 490 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 490 A C -0.063 177.682 177.584 0.267 0.000 1.112 490 A CA -0.809 51.375 52.037 0.245 0.000 0.707 490 A CB 0.891 20.066 19.000 0.292 0.000 1.302 490 A HN 1.046 nan 8.150 nan 0.000 0.409 491 C N 0.946 120.363 119.300 0.195 0.000 2.648 491 C HA 0.360 4.820 4.460 -0.000 0.000 0.419 491 C C 2.018 176.876 174.990 -0.220 0.000 1.352 491 C CA 0.276 59.319 59.018 0.042 0.000 1.816 491 C CB -0.518 27.269 27.740 0.078 0.000 2.598 491 C HN 0.921 nan 8.230 nan 0.000 0.598 492 R N 4.315 124.515 120.500 -0.500 0.000 2.276 492 R HA 0.088 4.428 4.340 -0.000 0.000 0.196 492 R C 1.311 177.343 176.300 -0.447 0.000 0.961 492 R CA 0.784 56.277 56.100 -1.010 0.000 1.024 492 R CB -0.219 29.602 30.300 -0.798 0.000 0.940 492 R HN 0.773 nan 8.270 nan 0.000 0.480 493 L N 0.724 121.766 121.223 -0.303 0.000 2.131 493 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 493 L C -0.604 176.059 176.870 -0.345 0.000 1.092 493 L CA 0.912 55.543 54.840 -0.349 0.000 0.759 493 L CB -1.317 40.538 42.059 -0.340 0.000 0.903 493 L HN 0.159 nan 8.230 nan 0.000 0.435 494 P HA -0.212 nan 4.420 nan 0.000 0.216 494 P C 1.210 178.533 177.300 0.038 0.000 1.150 494 P CA 1.300 64.361 63.100 -0.064 0.000 0.837 494 P CB -0.064 31.695 31.700 0.099 0.000 0.786 495 W N 0.079 121.344 121.300 -0.058 0.000 2.408 495 W HA -0.122 4.538 4.660 -0.000 0.000 0.311 495 W C 1.775 178.263 176.519 -0.052 0.000 1.190 495 W CA 1.037 58.395 57.345 0.022 0.000 1.321 495 W CB -1.264 28.258 29.460 0.104 0.000 1.143 495 W HN -0.333 nan 8.180 nan 0.000 0.501 496 V N 1.795 121.315 119.914 -0.657 0.000 2.287 496 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 496 V C 2.481 178.292 176.094 -0.471 0.000 1.053 496 V CA 2.497 64.296 62.300 -0.835 0.000 1.027 496 V CB -0.803 30.619 31.823 -0.668 0.000 0.646 496 V HN 0.194 nan 8.190 nan 0.000 0.447 497 E N 0.106 120.034 120.200 -0.453 0.000 2.075 497 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 497 E C 2.087 178.519 176.600 -0.281 0.000 0.969 497 E CA 1.592 57.729 56.400 -0.439 0.000 0.815 497 E CB -0.213 28.938 29.700 -0.914 0.000 0.776 497 E HN 0.621 nan 8.360 nan 0.000 0.457 498 V N -2.683 117.078 119.914 -0.255 0.000 3.621 498 V HA 0.473 4.593 4.120 -0.000 0.000 0.285 498 V C 1.157 177.257 176.094 0.010 0.000 1.346 498 V CA 0.584 62.835 62.300 -0.082 0.000 1.104 498 V CB 0.064 31.865 31.823 -0.038 0.000 0.913 498 V HN 0.270 nan 8.190 nan 0.000 0.432 499 G N 0.952 109.759 108.800 0.012 0.000 2.171 499 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.238 499 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.238 499 G C -0.285 174.749 174.900 0.224 0.000 1.039 499 G CA 0.253 45.425 45.100 0.120 0.000 0.759 499 G HN 0.866 nan 8.290 nan 0.000 0.501 500 L N 1.518 122.894 121.223 0.254 0.000 2.499 500 L HA 0.597 4.937 4.340 -0.000 0.000 0.273 500 L C 1.080 178.210 176.870 0.433 0.000 1.195 500 L CA 0.655 55.675 54.840 0.301 0.000 0.882 500 L CB 0.989 43.200 42.059 0.255 0.000 1.133 500 L HN 0.472 nan 8.230 nan 0.000 0.483 501 S N 4.238 120.190 115.700 0.420 0.000 2.546 501 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 501 S C 1.323 176.176 174.600 0.421 0.000 1.290 501 S CA -0.268 58.141 58.200 0.349 0.000 1.069 501 S CB 0.122 63.431 63.200 0.181 0.000 0.846 501 S HN 0.714 nan 8.310 nan 0.000 0.495 502 L N 3.608 125.010 121.223 0.299 0.000 2.456 502 L HA -0.032 4.308 4.340 -0.000 0.000 0.224 502 L C 1.693 178.887 176.870 0.540 0.000 1.148 502 L CA 0.560 55.638 54.840 0.397 0.000 0.825 502 L CB -0.330 41.707 42.059 -0.037 0.000 0.937 502 L HN 0.623 nan 8.230 nan 0.000 0.450 503 D N -0.576 119.998 120.400 0.290 0.000 2.263 503 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 503 D C 1.904 178.200 176.300 -0.007 0.000 0.971 503 D CA 1.217 55.322 54.000 0.174 0.000 0.867 503 D CB -0.016 40.782 40.800 -0.004 0.000 0.929 503 D HN 0.345 nan 8.370 nan 0.000 0.492 504 Y N -0.049 120.228 120.300 -0.038 0.000 2.274 504 Y HA -0.218 4.331 4.550 -0.000 0.000 0.290 504 Y C 2.047 177.769 175.900 -0.298 0.000 1.145 504 Y CA 0.877 58.833 58.100 -0.239 0.000 1.203 504 Y CB -0.625 37.589 38.460 -0.410 0.000 0.984 504 Y HN 0.063 nan 8.280 nan 0.000 0.533 505 Y N -0.118 120.299 120.300 0.194 0.000 2.114 505 Y HA -0.178 4.371 4.550 -0.000 0.000 0.284 505 Y C -0.125 175.728 175.900 -0.079 0.000 1.143 505 Y CA 1.280 59.431 58.100 0.084 0.000 1.135 505 Y CB -2.206 36.204 38.460 -0.083 0.000 0.980 505 Y HN 0.095 nan 8.280 nan 0.000 0.499 506 P HA -0.105 nan 4.420 nan 0.000 0.223 506 P C 0.767 177.977 177.300 -0.149 0.000 1.151 506 P CA 1.611 64.533 63.100 -0.297 0.000 0.787 506 P CB 0.082 31.409 31.700 -0.623 0.000 0.788 507 K N -0.249 120.079 120.400 -0.121 0.000 2.062 507 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 507 K C 2.320 178.854 176.600 -0.110 0.000 1.051 507 K CA 0.853 57.074 56.287 -0.110 0.000 0.941 507 K CB -0.547 31.887 32.500 -0.110 0.000 0.719 507 K HN 0.106 nan 8.250 nan 0.000 0.440 508 L N 1.104 122.268 121.223 -0.098 0.000 2.083 508 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 508 L C 2.351 179.106 176.870 -0.192 0.000 1.083 508 L CA 0.805 55.515 54.840 -0.216 0.000 0.752 508 L CB -0.224 41.634 42.059 -0.335 0.000 0.899 508 L HN 0.234 nan 8.230 nan 0.000 0.433 509 L N 0.393 121.619 121.223 0.005 0.000 2.046 509 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 509 L C 2.749 179.573 176.870 -0.077 0.000 1.077 509 L CA 1.731 56.579 54.840 0.013 0.000 0.747 509 L CB -0.202 41.850 42.059 -0.011 0.000 0.896 509 L HN 0.379 nan 8.230 nan 0.000 0.432 510 K N -0.578 119.782 120.400 -0.066 0.000 2.103 510 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 510 K C 1.943 178.454 176.600 -0.148 0.000 1.052 510 K CA 1.128 57.368 56.287 -0.079 0.000 0.945 510 K CB -0.423 32.032 32.500 -0.075 0.000 0.722 510 K HN 0.189 nan 8.250 nan 0.000 0.443 511 A N 1.562 124.278 122.820 -0.173 0.000 1.933 511 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 511 A C 2.122 179.556 177.584 -0.251 0.000 1.175 511 A CA 1.236 53.149 52.037 -0.207 0.000 0.628 511 A CB -0.533 18.343 19.000 -0.207 0.000 0.814 511 A HN 0.331 nan 8.150 nan 0.000 0.444 512 I N -0.588 119.820 120.570 -0.269 0.000 2.270 512 I HA -0.143 4.027 4.170 -0.000 0.000 0.239 512 I C 2.761 178.705 176.117 -0.290 0.000 1.080 512 I CA 1.767 62.888 61.300 -0.299 0.000 1.383 512 I CB -0.340 37.450 38.000 -0.349 0.000 1.097 512 I HN 0.493 nan 8.210 nan 0.000 0.420 513 T N -2.249 112.114 114.554 -0.320 0.000 3.054 513 T HA 0.204 4.554 4.350 -0.000 0.000 0.259 513 T C 1.633 176.280 174.700 -0.088 0.000 1.092 513 T CA 0.614 62.523 62.100 -0.319 0.000 1.121 513 T CB 0.417 68.891 68.868 -0.658 0.000 0.912 513 T HN 0.548 nan 8.240 nan 0.000 0.489 514 G N 0.727 109.449 108.800 -0.131 0.000 2.179 514 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 514 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 514 G C 0.055 174.935 174.900 -0.034 0.000 0.977 514 G CA 0.067 45.102 45.100 -0.109 0.000 0.641 514 G HN 0.752 nan 8.290 nan 0.000 0.533 515 V N 1.334 121.258 119.914 0.016 0.000 2.439 515 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 515 V C 0.706 176.782 176.094 -0.030 0.000 1.039 515 V CA -0.060 62.243 62.300 0.004 0.000 0.913 515 V CB 1.693 33.577 31.823 0.102 0.000 0.983 515 V HN 0.226 nan 8.190 nan 0.000 0.460 516 T N 5.266 119.743 114.554 -0.127 0.000 2.728 516 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 516 T C -0.781 173.803 174.700 -0.194 0.000 0.940 516 T CA 0.215 62.247 62.100 -0.114 0.000 1.013 516 T CB -0.180 68.618 68.868 -0.116 0.000 0.912 516 T HN 0.444 nan 8.240 nan 0.000 0.484 517 Y N 2.314 122.518 120.300 -0.159 0.000 2.335 517 Y HA 0.414 4.964 4.550 -0.000 0.000 0.338 517 Y C 1.278 176.997 175.900 -0.303 0.000 0.977 517 Y CA -0.911 57.068 58.100 -0.201 0.000 1.114 517 Y CB 1.335 39.667 38.460 -0.214 0.000 1.182 517 Y HN 0.626 nan 8.280 nan 0.000 0.463 518 T N -2.151 112.321 114.554 -0.138 0.000 2.881 518 T HA 0.106 4.456 4.350 -0.000 0.000 0.278 518 T C 0.804 175.305 174.700 -0.332 0.000 0.982 518 T CA -0.624 61.344 62.100 -0.221 0.000 0.989 518 T CB 0.694 69.490 68.868 -0.119 0.000 1.058 518 T HN 0.775 nan 8.240 nan 0.000 0.529 519 W N 0.255 121.384 121.300 -0.285 0.000 2.342 519 W HA -0.058 4.602 4.660 -0.000 0.000 0.297 519 W C 2.128 178.076 176.519 -0.952 0.000 1.213 519 W CA 0.878 57.841 57.345 -0.637 0.000 1.251 519 W CB -0.172 28.926 29.460 -0.602 0.000 1.136 519 W HN 0.747 nan 8.180 nan 0.000 0.526 520 D N -0.084 120.152 120.400 -0.273 0.000 2.178 520 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 520 D C 1.437 177.696 176.300 -0.068 0.000 0.974 520 D CA 1.337 55.266 54.000 -0.117 0.000 0.841 520 D CB -0.354 40.455 40.800 0.016 0.000 0.953 520 D HN 0.184 nan 8.370 nan 0.000 0.478 521 D N 0.617 120.967 120.400 -0.082 0.000 2.097 521 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 521 D C 2.435 178.755 176.300 0.034 0.000 0.984 521 D CA 0.400 54.399 54.000 -0.002 0.000 0.826 521 D CB -0.256 40.562 40.800 0.030 0.000 0.973 521 D HN 0.243 nan 8.370 nan 0.000 0.460 522 L N -0.010 121.173 121.223 -0.066 0.000 2.017 522 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 522 L C 2.559 179.465 176.870 0.059 0.000 1.073 522 L CA 0.943 55.732 54.840 -0.084 0.000 0.745 522 L CB -0.559 41.354 42.059 -0.243 0.000 0.894 522 L HN 0.056 nan 8.230 nan 0.000 0.432 523 Y N 0.323 120.670 120.300 0.079 0.000 2.224 523 Y HA -0.251 4.298 4.550 -0.000 0.000 0.289 523 Y C 2.635 178.539 175.900 0.006 0.000 1.146 523 Y CA 0.967 59.088 58.100 0.034 0.000 1.182 523 Y CB -0.773 37.702 38.460 0.025 0.000 0.983 523 Y HN 0.161 nan 8.280 nan 0.000 0.524 524 K N 0.044 120.537 120.400 0.154 0.000 2.103 524 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 524 K C 2.272 178.910 176.600 0.064 0.000 1.052 524 K CA 0.944 57.281 56.287 0.083 0.000 0.945 524 K CB -0.151 32.377 32.500 0.046 0.000 0.722 524 K HN 0.191 nan 8.250 nan 0.000 0.443 525 A N 0.995 123.853 122.820 0.063 0.000 1.930 525 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 525 A C 2.283 179.928 177.584 0.101 0.000 1.175 525 A CA 1.687 53.753 52.037 0.048 0.000 0.627 525 A CB -0.678 18.348 19.000 0.043 0.000 0.815 525 A HN 0.445 nan 8.150 nan 0.000 0.443 526 A N 0.085 122.978 122.820 0.122 0.000 1.898 526 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 526 A C 1.732 179.448 177.584 0.220 0.000 1.181 526 A CA 1.853 53.996 52.037 0.177 0.000 0.620 526 A CB -0.533 18.549 19.000 0.136 0.000 0.819 526 A HN 0.437 nan 8.150 nan 0.000 0.442 527 D N -0.835 119.639 120.400 0.123 0.000 2.178 527 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 527 D C 2.038 178.452 176.300 0.190 0.000 0.974 527 D CA 1.219 55.285 54.000 0.109 0.000 0.841 527 D CB -0.301 40.514 40.800 0.024 0.000 0.953 527 D HN 0.563 nan 8.370 nan 0.000 0.478 528 R N 0.680 121.267 120.500 0.146 0.000 2.073 528 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 528 R C 2.051 178.480 176.300 0.215 0.000 1.134 528 R CA 1.013 57.193 56.100 0.132 0.000 0.952 528 R CB -0.305 30.023 30.300 0.048 0.000 0.850 528 R HN -0.024 nan 8.270 nan 0.000 0.433 529 V N 0.380 120.450 119.914 0.260 0.000 2.332 529 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 529 V C 1.969 178.167 176.094 0.173 0.000 1.055 529 V CA 1.825 64.268 62.300 0.238 0.000 1.038 529 V CB -0.669 31.290 31.823 0.227 0.000 0.651 529 V HN 0.359 nan 8.190 nan 0.000 0.450 530 Y N 0.511 120.904 120.300 0.155 0.000 2.181 530 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 530 Y C 2.856 178.959 175.900 0.339 0.000 1.146 530 Y CA 1.889 60.131 58.100 0.238 0.000 1.164 530 Y CB -0.450 38.147 38.460 0.229 0.000 0.982 530 Y HN 0.174 nan 8.280 nan 0.000 0.515 531 S N -0.428 115.536 115.700 0.439 0.000 2.406 531 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 531 S C 1.934 176.561 174.600 0.044 0.000 1.020 531 S CA 0.854 59.236 58.200 0.304 0.000 0.965 531 S CB -0.472 62.886 63.200 0.263 0.000 0.798 531 S HN 0.306 nan 8.310 nan 0.000 0.488 532 L N 1.963 123.211 121.223 0.041 0.000 2.056 532 L HA 0.085 4.424 4.340 -0.000 0.000 0.207 532 L C 1.830 178.730 176.870 0.049 0.000 1.078 532 L CA 1.548 56.361 54.840 -0.046 0.000 0.749 532 L CB -0.567 41.516 42.059 0.041 0.000 0.901 532 L HN 0.270 nan 8.230 nan 0.000 0.433 533 I N -0.756 119.830 120.570 0.026 0.000 2.179 533 I HA -0.291 3.878 4.170 -0.000 0.000 0.242 533 I C 2.644 178.933 176.117 0.286 0.000 1.088 533 I CA 1.252 62.575 61.300 0.040 0.000 1.357 533 I CB -0.313 37.568 38.000 -0.197 0.000 1.051 533 I HN 0.284 nan 8.210 nan 0.000 0.409 534 R N 1.751 122.326 120.500 0.125 0.000 2.096 534 R HA -0.121 4.218 4.340 -0.000 0.000 0.235 534 R C 2.129 178.324 176.300 -0.176 0.000 1.127 534 R CA 1.886 57.928 56.100 -0.097 0.000 0.968 534 R CB -0.804 29.215 30.300 -0.468 0.000 0.861 534 R HN 0.348 nan 8.270 nan 0.000 0.440 535 A N -0.541 122.222 122.820 -0.094 0.000 1.902 535 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 535 A C 2.174 179.930 177.584 0.286 0.000 1.181 535 A CA 1.522 53.547 52.037 -0.019 0.000 0.623 535 A CB -1.030 17.887 19.000 -0.138 0.000 0.818 535 A HN 0.557 nan 8.150 nan 0.000 0.443 536 Y N -1.088 119.413 120.300 0.335 0.000 2.097 536 Y HA -0.284 4.265 4.550 -0.000 0.000 0.282 536 Y C 2.141 178.130 175.900 0.149 0.000 1.152 536 Y CA 2.068 60.371 58.100 0.338 0.000 1.136 536 Y CB -0.511 38.128 38.460 0.298 0.000 0.975 536 Y HN 0.457 nan 8.280 nan 0.000 0.498 537 W N -0.575 120.733 121.300 0.013 0.000 2.333 537 W HA -0.235 4.425 4.660 -0.000 0.000 0.316 537 W C 2.544 178.811 176.519 -0.420 0.000 1.215 537 W CA 2.292 59.512 57.345 -0.209 0.000 1.278 537 W CB -1.039 28.151 29.460 -0.450 0.000 1.154 537 W HN -0.159 nan 8.180 nan 0.000 0.486 538 V N 0.633 120.291 119.914 -0.426 0.000 2.287 538 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 538 V C 2.519 178.573 176.094 -0.068 0.000 1.053 538 V CA 2.209 64.262 62.300 -0.412 0.000 1.027 538 V CB -0.931 30.585 31.823 -0.512 0.000 0.646 538 V HN 0.201 nan 8.190 nan 0.000 0.447 539 R N 0.017 120.479 120.500 -0.064 0.000 2.066 539 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 539 R C 2.237 178.473 176.300 -0.107 0.000 1.131 539 R CA 1.580 57.632 56.100 -0.080 0.000 0.955 539 R CB -0.212 29.998 30.300 -0.149 0.000 0.851 539 R HN 0.497 nan 8.270 nan 0.000 0.432 540 E N -0.133 119.967 120.200 -0.165 0.000 2.204 540 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 540 E C 1.500 178.154 176.600 0.090 0.000 0.989 540 E CA 0.775 57.097 56.400 -0.131 0.000 0.824 540 E CB -0.183 29.354 29.700 -0.272 0.000 0.756 540 E HN 0.289 nan 8.360 nan 0.000 0.477 541 F N 0.887 120.846 119.950 0.015 0.000 2.804 541 F HA 0.070 4.597 4.527 -0.000 0.000 0.303 541 F C 0.766 176.621 175.800 0.091 0.000 1.154 541 F CA -0.076 58.009 58.000 0.141 0.000 1.401 541 F CB -0.670 38.563 39.000 0.388 0.000 1.106 541 F HN -0.057 nan 8.300 nan 0.000 0.568 542 N N 0.718 119.502 118.700 0.139 0.000 2.727 542 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 542 N C 1.176 176.752 175.510 0.109 0.000 1.048 542 N CA 0.982 54.074 53.050 0.070 0.000 0.714 542 N CB -1.065 37.436 38.487 0.023 0.000 0.959 542 N HN 0.606 nan 8.380 nan 0.000 0.544 543 G N -0.767 108.117 108.800 0.140 0.000 2.245 543 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.264 543 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.264 543 G C 0.137 175.173 174.900 0.225 0.000 0.985 543 G CA 0.707 45.892 45.100 0.141 0.000 0.625 543 G HN 0.686 nan 8.290 nan 0.000 0.536 544 K N 0.533 121.103 120.400 0.283 0.000 2.278 544 K HA 0.363 4.683 4.320 -0.000 0.000 0.289 544 K C -0.752 176.136 176.600 0.479 0.000 1.080 544 K CA -0.442 56.023 56.287 0.297 0.000 0.934 544 K CB -0.067 32.579 32.500 0.243 0.000 1.093 544 K HN 0.364 nan 8.250 nan 0.000 0.459 545 W N 4.208 125.571 121.300 0.105 0.000 3.645 545 W HA 0.102 4.762 4.660 -0.000 0.000 0.285 545 W C -1.852 174.684 176.519 0.029 0.000 1.266 545 W CA -0.661 56.723 57.345 0.065 0.000 1.212 545 W CB 1.351 30.825 29.460 0.023 0.000 1.306 545 W HN 0.766 nan 8.180 nan 0.000 0.552 546 D N 1.566 121.870 120.400 -0.160 0.000 2.768 546 D HA 0.262 4.902 4.640 -0.000 0.000 0.327 546 D C 0.992 177.232 176.300 -0.099 0.000 1.302 546 D CA -0.542 53.443 54.000 -0.024 0.000 0.897 546 D CB 0.469 41.262 40.800 -0.011 0.000 1.420 546 D HN 0.384 nan 8.370 nan 0.000 0.494 547 R N -0.285 120.262 120.500 0.079 0.000 2.200 547 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 547 R C 0.828 177.195 176.300 0.112 0.000 1.127 547 R CA 0.591 56.839 56.100 0.247 0.000 0.989 547 R CB -0.398 30.140 30.300 0.397 0.000 0.869 547 R HN 0.123 nan 8.270 nan 0.000 0.459 548 K N 0.549 120.857 120.400 -0.153 0.000 2.362 548 K HA 0.022 4.342 4.320 -0.000 0.000 0.200 548 K C 1.851 178.369 176.600 -0.136 0.000 1.046 548 K CA 0.775 56.886 56.287 -0.293 0.000 0.952 548 K CB -0.097 32.196 32.500 -0.345 0.000 0.753 548 K HN 0.290 nan 8.250 nan 0.000 0.466 549 M N 0.756 120.189 119.600 -0.278 0.000 2.374 549 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 549 M C 0.360 176.581 176.300 -0.132 0.000 1.067 549 M CA 1.228 56.272 55.300 -0.426 0.000 1.103 549 M CB -0.426 31.440 32.600 -1.224 0.000 1.402 549 M HN -0.033 nan 8.290 nan 0.000 0.444 550 D N -1.032 119.434 120.400 0.110 0.000 2.388 550 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 550 D C -0.403 176.137 176.300 0.400 0.000 1.133 550 D CA 0.078 54.235 54.000 0.263 0.000 0.831 550 D CB 0.107 41.129 40.800 0.370 0.000 0.962 550 D HN 0.133 nan 8.370 nan 0.000 0.502 551 Y N 1.762 122.141 120.300 0.132 0.000 2.320 551 Y HA 0.264 4.813 4.550 -0.000 0.000 0.324 551 Y C -1.667 174.249 175.900 0.027 0.000 1.190 551 Y CA -2.329 55.853 58.100 0.136 0.000 1.215 551 Y CB 0.828 39.345 38.460 0.095 0.000 1.221 551 Y HN -0.074 nan 8.280 nan 0.000 0.486 552 P HA 0.253 nan 4.420 nan 0.000 0.282 552 P C -2.753 174.440 177.300 -0.179 0.000 1.287 552 P CA -1.852 61.191 63.100 -0.095 0.000 0.792 552 P CB 0.336 32.012 31.700 -0.041 0.000 1.163 553 P HA 0.090 nan 4.420 nan 0.000 0.269 553 P C 1.049 178.167 177.300 -0.303 0.000 1.209 553 P CA -0.054 62.705 63.100 -0.569 0.000 0.776 553 P CB 0.368 31.481 31.700 -0.979 0.000 0.876 554 K N 3.271 123.604 120.400 -0.111 0.000 2.160 554 K HA -0.246 4.073 4.320 -0.000 0.000 0.206 554 K C 1.944 178.588 176.600 0.074 0.000 1.047 554 K CA 1.510 57.879 56.287 0.136 0.000 0.930 554 K CB -0.115 32.425 32.500 0.068 0.000 0.720 554 K HN 0.243 nan 8.250 nan 0.000 0.450 555 R N -0.225 120.189 120.500 -0.143 0.000 2.117 555 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 555 R C 1.554 177.912 176.300 0.096 0.000 1.143 555 R CA 1.902 57.969 56.100 -0.055 0.000 0.968 555 R CB -0.298 29.902 30.300 -0.166 0.000 0.863 555 R HN 0.332 nan 8.270 nan 0.000 0.444 556 W N -0.361 120.798 121.300 -0.234 0.000 2.595 556 W HA 0.012 4.672 4.660 -0.000 0.000 0.257 556 W C 1.263 177.676 176.519 -0.177 0.000 1.267 556 W CA 0.300 57.448 57.345 -0.328 0.000 1.300 556 W CB -0.429 28.669 29.460 -0.603 0.000 1.120 556 W HN 0.147 nan 8.180 nan 0.000 0.618 557 F N -0.265 119.850 119.950 0.274 0.000 2.505 557 F HA -0.020 4.506 4.527 -0.000 0.000 0.289 557 F C 2.476 178.299 175.800 0.038 0.000 1.101 557 F CA 1.686 59.819 58.000 0.222 0.000 1.446 557 F CB -0.974 38.119 39.000 0.155 0.000 1.123 557 F HN -0.222 nan 8.300 nan 0.000 0.564 558 T N -3.351 111.327 114.554 0.208 0.000 3.022 558 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 558 T C 0.511 175.212 174.700 0.002 0.000 1.060 558 T CA 0.135 62.267 62.100 0.054 0.000 1.013 558 T CB 0.127 69.057 68.868 0.103 0.000 0.982 558 T HN 0.081 nan 8.240 nan 0.000 0.508 559 E N -0.395 119.874 120.200 0.114 0.000 2.359 559 E HA 0.658 5.007 4.350 -0.000 0.000 0.266 559 E C -0.559 176.120 176.600 0.132 0.000 0.920 559 E CA -1.240 55.237 56.400 0.128 0.000 0.788 559 E CB 2.230 32.082 29.700 0.252 0.000 1.279 559 E HN 0.359 nan 8.360 nan 0.000 0.438 560 G N 0.259 108.987 108.800 -0.121 0.000 2.818 560 G HA2 0.525 4.485 3.960 -0.000 0.000 0.286 560 G HA3 0.525 4.485 3.960 -0.000 0.000 0.286 560 G C -0.871 173.544 174.900 -0.808 0.000 1.364 560 G CA -0.847 44.042 45.100 -0.350 0.000 0.938 560 G HN 0.341 nan 8.290 nan 0.000 0.490 561 L N 0.641 121.441 121.223 -0.705 0.000 2.483 561 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 561 L C 1.238 177.960 176.870 -0.247 0.000 1.213 561 L CA -0.351 54.204 54.840 -0.474 0.000 0.843 561 L CB 0.750 42.669 42.059 -0.235 0.000 1.107 561 L HN 0.424 nan 8.230 nan 0.000 0.487 562 K N 0.901 121.221 120.400 -0.133 0.000 2.367 562 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 562 K C 0.178 176.749 176.600 -0.050 0.000 1.027 562 K CA 0.212 56.458 56.287 -0.069 0.000 1.075 562 K CB 0.362 32.851 32.500 -0.019 0.000 0.845 562 K HN 0.724 nan 8.250 nan 0.000 0.529 563 S N -1.659 114.003 115.700 -0.063 0.000 2.643 563 S HA 0.709 5.179 4.470 -0.000 0.000 0.270 563 S C 0.170 174.623 174.600 -0.245 0.000 1.166 563 S CA -0.253 57.889 58.200 -0.096 0.000 0.815 563 S CB 1.993 65.186 63.200 -0.013 0.000 1.139 563 S HN 0.344 nan 8.310 nan 0.000 0.472 564 G N 1.075 109.711 108.800 -0.274 0.000 2.741 564 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.222 564 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.222 564 G C -2.207 172.443 174.900 -0.417 0.000 1.364 564 G CA -0.106 44.743 45.100 -0.418 0.000 0.866 564 G HN 0.746 nan 8.290 nan 0.000 0.555 565 P HA 0.008 nan 4.420 nan 0.000 0.220 565 P C 1.052 178.037 177.300 -0.524 0.000 1.148 565 P CA 1.477 64.310 63.100 -0.444 0.000 0.803 565 P CB -0.051 31.363 31.700 -0.478 0.000 0.782 566 H N -1.376 117.460 119.070 -0.389 0.000 2.519 566 H HA 0.150 4.706 4.556 -0.000 0.000 0.289 566 H C 0.663 175.834 175.328 -0.261 0.000 1.040 566 H CA -0.191 55.683 56.048 -0.289 0.000 1.165 566 H CB -0.124 29.469 29.762 -0.282 0.000 1.462 566 H HN 0.204 nan 8.280 nan 0.000 0.555 567 K N 0.598 120.881 120.400 -0.195 0.000 2.511 567 K HA 0.012 4.331 4.320 -0.000 0.000 0.280 567 K C 1.077 177.618 176.600 -0.098 0.000 1.008 567 K CA 1.132 57.327 56.287 -0.154 0.000 1.050 567 K CB 0.196 32.609 32.500 -0.146 0.000 0.889 567 K HN 0.478 nan 8.250 nan 0.000 0.484 568 G N 2.781 111.527 108.800 -0.090 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 -0.230 174.694 174.900 0.040 0.000 0.998 568 G CA 0.287 45.372 45.100 -0.026 0.000 0.621 568 G HN 0.692 nan 8.290 nan 0.000 0.524 569 E N 0.896 121.088 120.200 -0.013 0.000 2.373 569 E HA 0.523 4.873 4.350 -0.000 0.000 0.267 569 E C 0.524 177.159 176.600 0.059 0.000 1.032 569 E CA 0.471 56.864 56.400 -0.011 0.000 0.889 569 E CB 0.386 30.073 29.700 -0.022 0.000 0.984 569 E HN 0.869 nan 8.360 nan 0.000 0.425 570 H N -0.203 118.904 119.070 0.063 0.000 2.928 570 H HA 0.465 5.020 4.556 -0.000 0.000 0.285 570 H C -1.238 174.188 175.328 0.163 0.000 1.438 570 H CA -1.005 55.137 56.048 0.156 0.000 1.176 570 H CB 0.327 30.213 29.762 0.206 0.000 1.864 570 H HN 0.251 nan 8.280 nan 0.000 0.567 571 L N 0.865 122.284 121.223 0.327 0.000 2.350 571 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 571 L C -0.192 177.027 176.870 0.583 0.000 1.099 571 L CA -0.601 54.435 54.840 0.325 0.000 0.808 571 L CB 0.841 42.922 42.059 0.037 0.000 1.149 571 L HN 0.656 nan 8.230 nan 0.000 0.442 572 D N 2.033 122.716 120.400 0.472 0.000 2.347 572 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 572 D C 0.767 177.280 176.300 0.356 0.000 1.149 572 D CA -0.086 54.093 54.000 0.299 0.000 0.850 572 D CB 1.386 42.172 40.800 -0.024 0.000 1.061 572 D HN 0.606 nan 8.370 nan 0.000 0.487 573 E N 3.419 123.802 120.200 0.305 0.000 2.085 573 E HA -0.231 4.118 4.350 -0.000 0.000 0.194 573 E C 1.241 177.885 176.600 0.073 0.000 0.994 573 E CA 1.288 57.685 56.400 -0.005 0.000 0.801 573 E CB 0.336 29.865 29.700 -0.284 0.000 0.743 573 E HN 0.445 nan 8.360 nan 0.000 0.453 574 K N 0.454 120.879 120.400 0.042 0.000 2.009 574 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 574 K C 2.240 178.827 176.600 -0.021 0.000 1.049 574 K CA 1.778 58.075 56.287 0.016 0.000 0.929 574 K CB -0.138 32.355 32.500 -0.011 0.000 0.714 574 K HN 0.024 nan 8.250 nan 0.000 0.440 575 K N -0.106 120.209 120.400 -0.141 0.000 2.148 575 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 575 K C 2.147 178.699 176.600 -0.080 0.000 1.050 575 K CA 1.280 57.376 56.287 -0.319 0.000 0.942 575 K CB -0.195 31.698 32.500 -1.011 0.000 0.724 575 K HN 0.186 nan 8.250 nan 0.000 0.446 576 Y N 2.094 122.418 120.300 0.039 0.000 2.163 576 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 576 Y C 1.920 177.845 175.900 0.041 0.000 1.136 576 Y CA 1.718 59.934 58.100 0.193 0.000 1.147 576 Y CB -0.287 38.354 38.460 0.302 0.000 0.987 576 Y HN 0.064 nan 8.280 nan 0.000 0.509 577 D N -0.124 120.325 120.400 0.081 0.000 2.158 577 D HA -0.206 4.433 4.640 -0.000 0.000 0.197 577 D C 1.826 178.107 176.300 -0.031 0.000 0.995 577 D CA 1.943 55.989 54.000 0.076 0.000 0.846 577 D CB -0.046 40.879 40.800 0.208 0.000 0.941 577 D HN 0.604 nan 8.370 nan 0.000 0.456 578 E N -0.725 119.455 120.200 -0.034 0.000 2.106 578 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 578 E C 1.976 178.534 176.600 -0.070 0.000 0.984 578 E CA 0.357 56.739 56.400 -0.029 0.000 0.806 578 E CB -0.062 29.627 29.700 -0.018 0.000 0.750 578 E HN 0.236 nan 8.360 nan 0.000 0.458 579 L N 0.915 122.068 121.223 -0.117 0.000 2.141 579 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 579 L C 2.072 178.785 176.870 -0.261 0.000 1.094 579 L CA 1.120 55.875 54.840 -0.142 0.000 0.763 579 L CB -0.245 41.749 42.059 -0.109 0.000 0.908 579 L HN 0.128 nan 8.230 nan 0.000 0.437 580 L N -1.367 119.595 121.223 -0.434 0.000 2.093 580 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 580 L C 2.441 179.041 176.870 -0.450 0.000 1.085 580 L CA 1.742 56.279 54.840 -0.504 0.000 0.755 580 L CB -0.728 41.045 42.059 -0.477 0.000 0.904 580 L HN 0.227 nan 8.230 nan 0.000 0.435 581 S N -0.608 114.975 115.700 -0.194 0.000 2.399 581 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 581 S C 1.828 176.436 174.600 0.015 0.000 1.022 581 S CA 1.272 59.467 58.200 -0.009 0.000 0.983 581 S CB -0.215 63.026 63.200 0.067 0.000 0.803 581 S HN 0.548 nan 8.310 nan 0.000 0.480 582 E N 0.577 120.759 120.200 -0.031 0.000 2.106 582 E HA -0.136 4.213 4.350 -0.000 0.000 0.192 582 E C 1.676 178.263 176.600 -0.023 0.000 0.984 582 E CA 1.061 57.452 56.400 -0.014 0.000 0.806 582 E CB -0.421 29.268 29.700 -0.018 0.000 0.750 582 E HN 0.642 nan 8.360 nan 0.000 0.458 583 Y N -0.386 119.800 120.300 -0.191 0.000 2.145 583 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 583 Y C 1.600 177.436 175.900 -0.106 0.000 1.145 583 Y CA 1.985 59.962 58.100 -0.204 0.000 1.148 583 Y CB -0.386 37.907 38.460 -0.279 0.000 0.981 583 Y HN 0.093 nan 8.280 nan 0.000 0.507 584 Y N 0.385 120.726 120.300 0.068 0.000 2.224 584 Y HA -0.185 4.364 4.550 -0.000 0.000 0.289 584 Y C 2.778 178.638 175.900 -0.065 0.000 1.146 584 Y CA 1.391 59.514 58.100 0.038 0.000 1.182 584 Y CB -1.092 37.508 38.460 0.235 0.000 0.983 584 Y HN 0.150 nan 8.280 nan 0.000 0.524 585 R N 0.528 121.096 120.500 0.113 0.000 2.073 585 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 585 R C 2.112 178.373 176.300 -0.065 0.000 1.134 585 R CA 1.810 57.932 56.100 0.037 0.000 0.952 585 R CB -0.486 29.831 30.300 0.028 0.000 0.850 585 R HN 0.318 nan 8.270 nan 0.000 0.433 586 I N 0.257 120.736 120.570 -0.151 0.000 2.286 586 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 586 I C 2.336 178.260 176.117 -0.322 0.000 1.115 586 I CA 1.137 62.302 61.300 -0.226 0.000 1.392 586 I CB -0.225 37.613 38.000 -0.269 0.000 1.065 586 I HN 0.159 nan 8.210 nan 0.000 0.418 587 R N 0.802 121.007 120.500 -0.492 0.000 2.240 587 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 587 R C 1.155 177.233 176.300 -0.369 0.000 1.011 587 R CA 0.774 56.470 56.100 -0.673 0.000 1.007 587 R CB 0.083 29.516 30.300 -1.445 0.000 0.911 587 R HN 0.496 nan 8.270 nan 0.000 0.468 588 G N 1.003 109.719 108.800 -0.140 0.000 2.212 588 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.255 588 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.255 588 G C -0.633 174.451 174.900 0.307 0.000 1.062 588 G CA -0.077 45.061 45.100 0.064 0.000 0.815 588 G HN 0.136 nan 8.290 nan 0.000 0.497 589 W N 0.589 121.886 121.300 -0.004 0.000 2.578 589 W HA 0.597 5.257 4.660 -0.000 0.000 0.353 589 W C 0.640 177.109 176.519 -0.084 0.000 1.088 589 W CA -1.087 56.219 57.345 -0.064 0.000 1.235 589 W CB 0.736 30.129 29.460 -0.111 0.000 1.362 589 W HN 0.352 nan 8.180 nan 0.000 0.592 590 D N -0.135 120.307 120.400 0.069 0.000 2.414 590 D HA 0.006 4.646 4.640 -0.000 0.000 0.259 590 D C 0.646 176.924 176.300 -0.036 0.000 1.269 590 D CA -0.095 53.923 54.000 0.029 0.000 1.028 590 D CB 0.585 41.390 40.800 0.009 0.000 1.093 590 D HN 0.232 nan 8.370 nan 0.000 0.545 591 E N -0.975 119.268 120.200 0.073 0.000 2.526 591 E HA -0.039 4.311 4.350 -0.000 0.000 0.198 591 E C 1.092 177.771 176.600 0.133 0.000 1.091 591 E CA 0.253 56.760 56.400 0.178 0.000 0.880 591 E CB -0.095 29.719 29.700 0.189 0.000 0.873 591 E HN 0.433 nan 8.360 nan 0.000 0.527 592 R N -0.892 119.610 120.500 0.003 0.000 2.397 592 R HA 0.131 4.470 4.340 -0.000 0.000 0.241 592 R C 0.927 177.259 176.300 0.053 0.000 0.914 592 R CA 0.500 56.645 56.100 0.075 0.000 1.071 592 R CB 0.767 31.132 30.300 0.108 0.000 1.116 592 R HN 0.152 nan 8.270 nan 0.000 0.524 593 G N 1.694 110.261 108.800 -0.387 0.000 2.137 593 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.237 593 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.237 593 G C -0.013 174.707 174.900 -0.300 0.000 1.002 593 G CA -0.134 44.748 45.100 -0.363 0.000 0.702 593 G HN 0.205 nan 8.290 nan 0.000 0.515 594 I N 0.942 121.301 120.570 -0.353 0.000 2.377 594 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 594 I C -2.117 173.678 176.117 -0.538 0.000 0.987 594 I CA -2.778 58.220 61.300 -0.504 0.000 1.185 594 I CB 2.095 39.934 38.000 -0.268 0.000 1.341 594 I HN -0.174 nan 8.210 nan 0.000 0.455 595 P HA 0.057 nan 4.420 nan 0.000 0.265 595 P C -0.976 176.233 177.300 -0.151 0.000 1.193 595 P CA -0.139 62.689 63.100 -0.452 0.000 0.765 595 P CB 0.415 31.877 31.700 -0.396 0.000 0.823 596 K N 2.527 122.926 120.400 -0.001 0.000 2.237 596 K HA 0.122 4.442 4.320 -0.000 0.000 0.270 596 K C 1.431 178.022 176.600 -0.015 0.000 1.015 596 K CA -0.350 55.938 56.287 0.002 0.000 0.949 596 K CB 0.566 33.093 32.500 0.044 0.000 0.976 596 K HN 0.316 nan 8.250 nan 0.000 0.472 597 K N 1.569 121.955 120.400 -0.022 0.000 2.074 597 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 597 K C 1.807 178.395 176.600 -0.021 0.000 1.048 597 K CA 1.739 58.009 56.287 -0.028 0.000 0.926 597 K CB 0.038 32.528 32.500 -0.017 0.000 0.713 597 K HN 0.628 nan 8.250 nan 0.000 0.444 598 E N 0.366 120.564 120.200 -0.004 0.000 2.150 598 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 598 E C 1.492 178.093 176.600 0.003 0.000 0.985 598 E CA 1.229 57.630 56.400 0.000 0.000 0.814 598 E CB 0.180 29.885 29.700 0.009 0.000 0.752 598 E HN 0.224 nan 8.360 nan 0.000 0.466 599 T N 1.261 115.826 114.554 0.018 0.000 2.812 599 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 599 T C 1.898 176.602 174.700 0.008 0.000 1.042 599 T CA 0.872 62.995 62.100 0.038 0.000 1.140 599 T CB -0.128 68.807 68.868 0.111 0.000 0.870 599 T HN 0.142 nan 8.240 nan 0.000 0.445 600 L N 0.656 121.861 121.223 -0.029 0.000 2.012 600 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 600 L C 2.704 179.517 176.870 -0.096 0.000 1.073 600 L CA 1.470 56.253 54.840 -0.095 0.000 0.748 600 L CB -0.529 41.440 42.059 -0.150 0.000 0.891 600 L HN 0.216 nan 8.230 nan 0.000 0.431 601 K N -0.161 120.201 120.400 -0.063 0.000 2.032 601 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 601 K C 2.058 178.637 176.600 -0.035 0.000 1.048 601 K CA 1.535 57.794 56.287 -0.045 0.000 0.927 601 K CB -0.243 32.242 32.500 -0.025 0.000 0.712 601 K HN 0.323 nan 8.250 nan 0.000 0.441 602 E N 1.161 121.347 120.200 -0.024 0.000 2.204 602 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 602 E C 1.504 178.090 176.600 -0.022 0.000 0.990 602 E CA 0.795 57.184 56.400 -0.017 0.000 0.821 602 E CB 0.127 29.823 29.700 -0.007 0.000 0.750 602 E HN 0.285 nan 8.360 nan 0.000 0.477 603 L N 0.733 121.938 121.223 -0.030 0.000 2.628 603 L HA 0.051 4.390 4.340 -0.000 0.000 0.229 603 L C -0.289 176.545 176.870 -0.061 0.000 1.137 603 L CA -0.002 54.818 54.840 -0.033 0.000 0.909 603 L CB 0.207 42.260 42.059 -0.010 0.000 1.137 603 L HN -0.006 nan 8.230 nan 0.000 0.470 604 D N 0.564 120.927 120.400 -0.061 0.000 2.775 604 D HA -0.174 4.465 4.640 -0.000 0.000 0.235 604 D C 0.208 176.469 176.300 -0.066 0.000 1.120 604 D CA 0.689 54.663 54.000 -0.043 0.000 0.708 604 D CB -1.373 39.404 40.800 -0.039 0.000 1.084 604 D HN 0.325 nan 8.370 nan 0.000 0.434 605 L N -0.052 121.039 121.223 -0.220 0.000 3.209 605 L HA 0.164 4.504 4.340 -0.000 0.000 0.279 605 L C 1.119 177.631 176.870 -0.595 0.000 1.301 605 L CA -0.439 54.023 54.840 -0.630 0.000 1.004 605 L CB 0.442 42.156 42.059 -0.575 0.000 1.402 605 L HN -0.214 nan 8.230 nan 0.000 0.577 606 D N 1.008 121.261 120.400 -0.244 0.000 2.149 606 D HA -0.263 4.377 4.640 -0.000 0.000 0.198 606 D C 1.915 178.178 176.300 -0.062 0.000 0.990 606 D CA 1.634 55.574 54.000 -0.100 0.000 0.839 606 D CB -0.119 40.694 40.800 0.023 0.000 0.948 606 D HN 0.527 nan 8.370 nan 0.000 0.460 607 F N -0.132 119.828 119.950 0.016 0.000 2.307 607 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 607 F C 1.775 177.618 175.800 0.073 0.000 1.076 607 F CA 0.431 58.471 58.000 0.066 0.000 1.383 607 F CB -0.934 38.133 39.000 0.110 0.000 1.055 607 F HN -0.123 nan 8.300 nan 0.000 0.526 608 V N 1.290 120.962 119.914 -0.403 0.000 2.488 608 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 608 V C 2.540 178.619 176.094 -0.025 0.000 1.046 608 V CA 1.495 63.600 62.300 -0.325 0.000 1.053 608 V CB -0.561 30.821 31.823 -0.735 0.000 0.679 608 V HN 0.423 nan 8.190 nan 0.000 0.458 609 I N 0.466 120.998 120.570 -0.064 0.000 2.087 609 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 609 I C -0.034 176.115 176.117 0.053 0.000 1.054 609 I CA 2.069 63.364 61.300 -0.010 0.000 1.311 609 I CB -1.759 36.229 38.000 -0.020 0.000 1.024 609 I HN 0.352 nan 8.210 nan 0.000 0.402 610 P HA -0.182 nan 4.420 nan 0.000 0.215 610 P C 1.360 178.726 177.300 0.110 0.000 1.157 610 P CA 1.552 64.709 63.100 0.095 0.000 0.874 610 P CB -0.066 31.705 31.700 0.119 0.000 0.790 611 E N -0.672 119.637 120.200 0.181 0.000 2.077 611 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 611 E C 2.067 178.747 176.600 0.134 0.000 0.989 611 E CA 0.899 57.408 56.400 0.182 0.000 0.800 611 E CB -0.581 29.320 29.700 0.336 0.000 0.746 611 E HN 0.260 nan 8.360 nan 0.000 0.452 612 L N 0.831 122.141 121.223 0.145 0.000 2.156 612 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 612 L C 2.195 179.087 176.870 0.036 0.000 1.095 612 L CA 1.004 55.888 54.840 0.074 0.000 0.770 612 L CB -0.266 41.809 42.059 0.028 0.000 0.914 612 L HN 0.123 nan 8.230 nan 0.000 0.439 613 E N 0.107 120.329 120.200 0.038 0.000 2.268 613 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 613 E C 1.932 178.547 176.600 0.026 0.000 0.995 613 E CA 0.666 57.081 56.400 0.026 0.000 0.836 613 E CB 0.114 29.829 29.700 0.025 0.000 0.763 613 E HN 0.410 nan 8.360 nan 0.000 0.491 614 K N 0.128 120.546 120.400 0.030 0.000 2.283 614 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 614 K C 1.732 178.341 176.600 0.015 0.000 1.048 614 K CA 0.535 56.834 56.287 0.020 0.000 0.948 614 K CB 0.360 32.870 32.500 0.016 0.000 0.742 614 K HN -0.004 nan 8.250 nan 0.000 0.458 615 V N 0.370 120.296 119.914 0.019 0.000 3.379 615 V HA -0.005 4.115 4.120 -0.000 0.000 0.249 615 V C 0.426 176.538 176.094 0.030 0.000 1.184 615 V CA 1.021 63.334 62.300 0.021 0.000 1.106 615 V CB 1.014 32.848 31.823 0.017 0.000 0.826 615 V HN 0.418 nan 8.190 nan 0.000 0.465 616 T N -1.428 113.141 114.554 0.025 0.000 2.665 616 T HA 0.326 4.676 4.350 -0.000 0.000 0.303 616 T C -1.100 173.611 174.700 0.018 0.000 1.334 616 T CA -0.795 61.321 62.100 0.027 0.000 1.011 616 T CB 1.472 70.359 68.868 0.031 0.000 1.573 616 T HN 0.238 nan 8.240 nan 0.000 0.492 617 N N 0.618 119.329 118.700 0.018 0.000 2.473 617 N HA 0.457 5.196 4.740 -0.000 0.000 0.291 617 N C -0.772 174.739 175.510 0.003 0.000 1.083 617 N CA -0.709 52.348 53.050 0.013 0.000 0.951 617 N CB 1.444 39.941 38.487 0.017 0.000 1.164 617 N HN 0.668 nan 8.380 nan 0.000 0.480 618 L N 0.359 121.581 121.223 -0.003 0.000 2.365 618 L HA 0.468 4.808 4.340 -0.000 0.000 0.267 618 L C 0.751 177.617 176.870 -0.006 0.000 1.033 618 L CA -0.812 54.018 54.840 -0.016 0.000 0.802 618 L CB 1.268 43.312 42.059 -0.025 0.000 1.267 618 L HN 0.552 nan 8.230 nan 0.000 0.457 619 E N 0.000 120.195 120.200 -0.008 0.000 2.725 619 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 619 E CA 0.000 56.403 56.400 0.005 0.000 0.976 619 E CB 0.000 29.709 29.700 0.014 0.000 0.812 619 E HN 0.000 nan 8.360 nan 0.000 0.440