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 2xwb_1_H DATA FIRST_RESID 10 DATA SEQUENCE GScSLEGVEI KGGSFRLLQE GQALEYVcPS GFYPYPVQTR TcRSTGSWST DATA SEQUENCE LKTQDQKTVR KAEcRAIHcP RPHDFENGEY WPRSPYYNVS DEISFHcYDG DATA SEQUENCE YTLRGSANRT cQVNGRWSGQ TAIcDNGAGY cSNPGIPIGT RKVGSQYRLE DATA SEQUENCE DSVTYHcSRG LTLRGSQRRT cQEGGSWSGT EPScQDSFMY DTPQEVAEAF DATA SEQUENCE LSSLTETIEG VDAEDXXXXX XXXXXXXXXD PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPXXXXX XXWNRTRHVI DATA SEQUENCE ILMTDGLHNM GGDPITVIDE IRDLLYIGKD RKNPREDYLD VYVFGVGPLV DATA SEQUENCE NQVNINALAS KKDNEQHVFK VKDMENLEDV FYQMIDESQS LSLcGMVWEH DATA SEQUENCE RKGTDYHKQP WQAKISVIRP SKGHEScMGA VVSEYFVLTA AHcFTVDDKE DATA SEQUENCE HSIKVSVGGE KRDLEIEVVL FHPNYNINGK KEAGIPEFYD YDVALIKLKN DATA SEQUENCE KLKYGQTIRP IcLPcTEGTT RALRLPPTTT cQQQKEELLP AQDIKALFVS DATA SEQUENCE EEEKKLTRKE VYIKNGDKKG ScERDAQYAP GYDKVKDISE VVTPRFLcTG DATA SEQUENCE GVSPYADPNT cRGDSGGPLI VHKRSRFIQV GVISWGVVDV cKNQKRQKQV DATA SEQUENCE PAHARDFHIN LFQVLPWLKE KLQDEDLGFL AA 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.833 174.900 -0.112 0.000 0.946 10 G CA 0.000 45.057 45.100 -0.072 0.000 0.502 11 S N -0.774 114.870 115.700 -0.093 0.000 2.516 11 S HA 0.353 4.823 4.470 -0.000 0.000 0.282 11 S C 0.713 175.213 174.600 -0.166 0.000 1.286 11 S CA -0.392 57.733 58.200 -0.124 0.000 1.066 11 S CB -0.047 63.129 63.200 -0.040 0.000 0.884 11 S HN 0.888 nan 8.310 nan 0.000 0.491 12 c N 3.695 122.079 118.600 -0.360 0.000 2.676 12 c HA 0.398 4.968 4.570 -0.000 0.000 0.416 12 c C 1.497 175.541 174.090 -0.075 0.000 1.299 12 c CA -0.514 55.564 56.329 -0.418 0.000 2.048 12 c CB -0.033 41.790 42.510 -1.144 0.000 2.713 12 c HN 1.008 nan 8.230 nan 0.000 0.624 13 S N 1.070 116.789 115.700 0.032 0.000 2.562 13 S HA 0.188 4.658 4.470 -0.000 0.000 0.281 13 S C 0.501 175.296 174.600 0.324 0.000 1.333 13 S CA -0.434 57.854 58.200 0.148 0.000 1.052 13 S CB 0.115 63.372 63.200 0.094 0.000 0.884 13 S HN 0.607 nan 8.310 nan 0.000 0.506 14 L N 3.518 124.889 121.223 0.246 0.000 2.737 14 L HA 0.257 4.597 4.340 -0.000 0.000 0.236 14 L C 0.422 177.345 176.870 0.089 0.000 1.219 14 L CA 0.114 55.066 54.840 0.186 0.000 1.021 14 L CB -0.302 41.870 42.059 0.187 0.000 1.291 14 L HN 0.664 nan 8.230 nan 0.000 0.470 15 E N 0.689 120.950 120.200 0.101 0.000 2.194 15 E HA 0.294 4.644 4.350 -0.000 0.000 0.284 15 E C 0.884 177.506 176.600 0.037 0.000 1.035 15 E CA 0.123 56.560 56.400 0.062 0.000 0.836 15 E CB 1.013 30.751 29.700 0.062 0.000 1.070 15 E HN 0.321 nan 8.360 nan 0.000 0.401 16 G N 2.454 111.259 108.800 0.009 0.000 2.221 16 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 16 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 16 G C 0.687 175.556 174.900 -0.053 0.000 1.041 16 G CA 0.499 45.593 45.100 -0.009 0.000 0.807 16 G HN 0.559 nan 8.290 nan 0.000 0.502 17 V N -2.650 117.185 119.914 -0.132 0.000 3.621 17 V HA 0.345 4.465 4.120 -0.000 0.000 0.263 17 V C 1.390 177.319 176.094 -0.275 0.000 1.272 17 V CA 0.861 62.987 62.300 -0.290 0.000 1.080 17 V CB 0.231 31.691 31.823 -0.605 0.000 0.816 17 V HN 0.627 nan 8.190 nan 0.000 0.451 18 E N 1.813 121.909 120.200 -0.172 0.000 2.447 18 E HA 0.117 4.467 4.350 -0.000 0.000 0.259 18 E C -0.493 176.124 176.600 0.028 0.000 1.196 18 E CA -0.162 56.231 56.400 -0.012 0.000 0.995 18 E CB 1.735 31.496 29.700 0.101 0.000 0.974 18 E HN 0.553 nan 8.360 nan 0.000 0.465 19 I N -0.239 120.373 120.570 0.071 0.000 2.545 19 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 19 I C -0.192 175.884 176.117 -0.069 0.000 1.040 19 I CA -1.101 60.139 61.300 -0.099 0.000 1.068 19 I CB 1.581 39.413 38.000 -0.281 0.000 1.251 19 I HN 0.495 nan 8.210 nan 0.000 0.424 20 K N 6.038 126.374 120.400 -0.107 0.000 2.412 20 K HA 0.286 4.606 4.320 -0.000 0.000 0.284 20 K C 0.552 177.073 176.600 -0.132 0.000 1.046 20 K CA 1.016 57.245 56.287 -0.097 0.000 0.999 20 K CB 0.268 32.711 32.500 -0.095 0.000 0.941 20 K HN 0.973 nan 8.250 nan 0.000 0.474 21 G N 2.431 111.156 108.800 -0.125 0.000 2.248 21 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.263 21 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.263 21 G C 0.118 174.913 174.900 -0.174 0.000 1.082 21 G CA -0.158 44.832 45.100 -0.184 0.000 0.863 21 G HN 1.145 nan 8.290 nan 0.000 0.495 22 G N -1.849 106.900 108.800 -0.085 0.000 2.316 22 G HA2 0.866 4.826 3.960 -0.000 0.000 0.296 22 G HA3 0.866 4.826 3.960 -0.000 0.000 0.296 22 G C -0.170 174.767 174.900 0.062 0.000 1.399 22 G CA 0.728 45.810 45.100 -0.030 0.000 0.833 22 G HN 1.830 nan 8.290 nan 0.000 0.565 23 S N -1.237 114.521 115.700 0.097 0.000 2.993 23 S HA 0.972 5.442 4.470 -0.000 0.000 0.281 23 S C -0.515 174.268 174.600 0.304 0.000 1.033 23 S CA -0.094 58.195 58.200 0.148 0.000 0.950 23 S CB 1.536 64.705 63.200 -0.052 0.000 1.349 23 S HN 2.125 nan 8.310 nan 0.000 0.652 24 F N -1.577 118.366 119.950 -0.011 0.000 2.817 24 F HA 0.797 5.324 4.527 -0.000 0.000 0.317 24 F C -1.507 174.237 175.800 -0.094 0.000 1.168 24 F CA -1.275 56.674 58.000 -0.084 0.000 0.911 24 F CB 1.146 40.007 39.000 -0.232 0.000 1.337 24 F HN 0.876 nan 8.300 nan 0.000 0.464 25 R N 1.741 122.257 120.500 0.027 0.000 2.533 25 R HA 0.654 4.994 4.340 -0.000 0.000 0.288 25 R C -2.109 174.222 176.300 0.052 0.000 1.039 25 R CA -0.890 55.184 56.100 -0.044 0.000 0.909 25 R CB 1.798 32.070 30.300 -0.047 0.000 1.195 25 R HN 0.834 nan 8.270 nan 0.000 0.438 26 L N 4.512 125.776 121.223 0.068 0.000 2.360 26 L HA 0.357 4.697 4.340 -0.000 0.000 0.276 26 L C -0.128 176.785 176.870 0.071 0.000 1.121 26 L CA -0.236 54.670 54.840 0.110 0.000 0.845 26 L CB 0.517 42.665 42.059 0.148 0.000 1.143 26 L HN 0.492 nan 8.230 nan 0.000 0.452 27 L N 3.080 124.352 121.223 0.082 0.000 2.256 27 L HA 0.378 4.718 4.340 -0.000 0.000 0.261 27 L C 0.157 177.067 176.870 0.067 0.000 1.022 27 L CA -0.859 54.015 54.840 0.056 0.000 0.828 27 L CB 1.475 43.558 42.059 0.040 0.000 1.374 27 L HN 0.583 nan 8.230 nan 0.000 0.436 28 Q N 0.465 120.290 119.800 0.041 0.000 2.453 28 Q HA -0.225 4.115 4.340 -0.000 0.000 0.294 28 Q C -0.609 175.417 176.000 0.043 0.000 1.295 28 Q CA 0.932 56.756 55.803 0.035 0.000 0.853 28 Q CB -1.327 27.434 28.738 0.040 0.000 1.193 28 Q HN 0.664 nan 8.270 nan 0.000 0.461 29 E N -2.501 117.724 120.200 0.042 0.000 2.389 29 E HA -0.292 4.058 4.350 -0.000 0.000 0.243 29 E C 0.776 177.412 176.600 0.060 0.000 1.154 29 E CA 0.580 57.005 56.400 0.042 0.000 0.723 29 E CB -1.698 28.019 29.700 0.028 0.000 1.261 29 E HN 0.951 nan 8.360 nan 0.000 0.390 30 G N -0.084 108.775 108.800 0.098 0.000 2.162 30 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 30 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 30 G C 0.692 175.687 174.900 0.158 0.000 0.976 30 G CA 0.554 45.749 45.100 0.158 0.000 0.655 30 G HN 0.311 nan 8.290 nan 0.000 0.533 31 Q N -0.452 119.407 119.800 0.098 0.000 2.451 31 Q HA 0.536 4.876 4.340 -0.000 0.000 0.206 31 Q C 1.088 177.171 176.000 0.137 0.000 0.947 31 Q CA 1.292 57.112 55.803 0.028 0.000 0.937 31 Q CB 0.563 29.308 28.738 0.012 0.000 1.025 31 Q HN 1.452 nan 8.270 nan 0.000 0.511 32 A N 0.529 123.531 122.820 0.303 0.000 2.589 32 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 32 A C -1.507 176.224 177.584 0.245 0.000 1.062 32 A CA -0.857 51.414 52.037 0.391 0.000 0.686 32 A CB 0.986 20.100 19.000 0.191 0.000 1.282 32 A HN 0.135 nan 8.150 nan 0.000 0.404 33 L N -1.092 120.136 121.223 0.009 0.000 2.341 33 L HA 0.959 5.299 4.340 -0.000 0.000 0.267 33 L C -0.335 176.384 176.870 -0.251 0.000 1.009 33 L CA -0.536 54.174 54.840 -0.216 0.000 0.819 33 L CB 1.886 43.571 42.059 -0.623 0.000 1.323 33 L HN 0.772 nan 8.230 nan 0.000 0.425 34 E N 1.265 121.359 120.200 -0.178 0.000 2.218 34 E HA 0.367 4.717 4.350 -0.000 0.000 0.263 34 E C -1.585 174.961 176.600 -0.090 0.000 0.879 34 E CA -0.748 55.580 56.400 -0.121 0.000 0.762 34 E CB 1.018 30.713 29.700 -0.008 0.000 1.166 34 E HN 0.650 nan 8.360 nan 0.000 0.415 35 Y N 2.061 122.389 120.300 0.046 0.000 2.526 35 Y HA 0.130 4.680 4.550 -0.000 0.000 0.330 35 Y C 0.204 176.143 175.900 0.065 0.000 1.156 35 Y CA -0.175 57.964 58.100 0.066 0.000 1.419 35 Y CB 0.965 39.435 38.460 0.017 0.000 1.250 35 Y HN 0.238 nan 8.280 nan 0.000 0.540 36 V N 4.342 124.388 119.914 0.220 0.000 2.311 36 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 36 V C -0.271 175.881 176.094 0.096 0.000 1.022 36 V CA -0.871 61.502 62.300 0.121 0.000 0.830 36 V CB 0.343 32.202 31.823 0.059 0.000 1.012 36 V HN 0.848 nan 8.190 nan 0.000 0.452 37 c N 6.613 125.267 118.600 0.091 0.000 2.358 37 c HA 0.595 5.165 4.570 -0.000 0.000 0.342 37 c C -1.583 172.551 174.090 0.074 0.000 1.234 37 c CA -1.069 55.295 56.329 0.058 0.000 1.969 37 c CB 1.153 43.708 42.510 0.074 0.000 2.346 37 c HN 0.672 nan 8.230 nan 0.000 0.525 38 P HA 0.063 nan 4.420 nan 0.000 0.271 38 P C -0.296 177.121 177.300 0.195 0.000 1.238 38 P CA 0.012 63.162 63.100 0.084 0.000 0.794 38 P CB 0.350 32.058 31.700 0.014 0.000 0.959 39 S N 0.125 115.917 115.700 0.152 0.000 2.515 39 S HA 0.341 4.811 4.470 -0.000 0.000 0.285 39 S C 1.281 175.963 174.600 0.137 0.000 1.265 39 S CA 0.918 59.191 58.200 0.121 0.000 1.079 39 S CB -1.424 61.819 63.200 0.072 0.000 0.877 39 S HN 0.853 nan 8.310 nan 0.000 0.493 40 G N 3.623 112.433 108.800 0.017 0.000 2.195 40 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.224 40 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.224 40 G C -0.110 174.505 174.900 -0.475 0.000 0.990 40 G CA -0.012 44.948 45.100 -0.234 0.000 0.639 40 G HN 0.624 nan 8.290 nan 0.000 0.514 41 F N -0.091 119.828 119.950 -0.052 0.000 2.618 41 F HA 0.826 5.353 4.527 -0.000 0.000 0.332 41 F C 0.126 175.911 175.800 -0.024 0.000 1.061 41 F CA -1.237 56.719 58.000 -0.072 0.000 0.974 41 F CB 1.514 40.448 39.000 -0.110 0.000 1.310 41 F HN 0.279 nan 8.300 nan 0.000 0.491 42 Y N -1.227 119.060 120.300 -0.022 0.000 2.534 42 Y HA 0.743 5.293 4.550 -0.000 0.000 0.345 42 Y C -3.399 172.505 175.900 0.006 0.000 1.031 42 Y CA -3.762 54.281 58.100 -0.095 0.000 1.022 42 Y CB 0.928 39.129 38.460 -0.433 0.000 1.292 42 Y HN 0.212 nan 8.280 nan 0.000 0.459 43 P HA 0.094 nan 4.420 nan 0.000 0.267 43 P C -1.593 175.720 177.300 0.022 0.000 1.205 43 P CA 0.678 63.774 63.100 -0.005 0.000 0.765 43 P CB 0.134 31.939 31.700 0.175 0.000 0.828 44 Y N 5.770 125.913 120.300 -0.262 0.000 2.442 44 Y HA 0.421 4.971 4.550 -0.000 0.000 0.344 44 Y C -2.140 173.671 175.900 -0.148 0.000 0.976 44 Y CA -2.575 55.437 58.100 -0.146 0.000 1.040 44 Y CB 2.045 40.356 38.460 -0.248 0.000 1.228 44 Y HN 0.282 nan 8.280 nan 0.000 0.451 45 P HA -0.034 nan 4.420 nan 0.000 0.216 45 P C -0.115 177.089 177.300 -0.159 0.000 1.156 45 P CA 1.091 63.676 63.100 -0.858 0.000 0.855 45 P CB 0.152 31.392 31.700 -0.767 0.000 0.786 46 V N -2.256 117.619 119.914 -0.066 0.000 3.036 46 V HA 0.315 4.435 4.120 -0.000 0.000 0.308 46 V C 1.545 177.747 176.094 0.180 0.000 1.070 46 V CA -0.424 61.924 62.300 0.080 0.000 1.056 46 V CB 0.813 32.682 31.823 0.077 0.000 1.084 46 V HN -0.149 nan 8.190 nan 0.000 0.471 47 Q N 1.773 121.693 119.800 0.201 0.000 2.061 47 Q HA 0.124 4.464 4.340 -0.000 0.000 0.195 47 Q C 1.045 177.166 176.000 0.201 0.000 0.967 47 Q CA 1.765 57.705 55.803 0.229 0.000 0.829 47 Q CB -0.157 28.701 28.738 0.199 0.000 0.900 47 Q HN 1.132 nan 8.270 nan 0.000 0.450 48 T N -1.710 112.919 114.554 0.125 0.000 2.926 48 T HA 0.784 5.134 4.350 -0.000 0.000 0.289 48 T C -0.720 174.005 174.700 0.041 0.000 1.054 48 T CA -1.072 61.052 62.100 0.040 0.000 1.015 48 T CB 1.887 70.782 68.868 0.046 0.000 1.167 48 T HN 0.177 nan 8.240 nan 0.000 0.526 49 R N 0.555 121.051 120.500 -0.007 0.000 2.621 49 R HA 0.605 4.945 4.340 -0.000 0.000 0.284 49 R C -0.450 176.015 176.300 0.275 0.000 0.998 49 R CA -0.854 55.300 56.100 0.090 0.000 0.895 49 R CB 2.183 32.469 30.300 -0.024 0.000 1.195 49 R HN 0.970 nan 8.270 nan 0.000 0.450 50 T N -1.980 112.740 114.554 0.276 0.000 2.918 50 T HA 0.244 4.594 4.350 -0.000 0.000 0.283 50 T C 0.159 174.983 174.700 0.206 0.000 1.001 50 T CA -0.685 61.558 62.100 0.238 0.000 1.041 50 T CB 1.499 70.436 68.868 0.116 0.000 1.028 50 T HN 0.635 nan 8.240 nan 0.000 0.511 51 c N 4.343 122.900 118.600 -0.070 0.000 2.168 51 c HA 0.481 5.051 4.570 -0.000 0.000 0.333 51 c C 0.702 174.647 174.090 -0.243 0.000 1.106 51 c CA -0.889 55.173 56.329 -0.445 0.000 1.574 51 c CB -1.513 40.567 42.510 -0.716 0.000 2.055 51 c HN 0.783 nan 8.230 nan 0.000 0.473 52 R N 3.015 123.408 120.500 -0.178 0.000 2.774 52 R HA 0.113 4.453 4.340 -0.000 0.000 0.269 52 R C 1.265 177.489 176.300 -0.126 0.000 1.068 52 R CA 0.096 56.133 56.100 -0.104 0.000 1.180 52 R CB 0.324 30.590 30.300 -0.057 0.000 1.077 52 R HN 0.868 nan 8.270 nan 0.000 0.513 53 S N -1.483 114.169 115.700 -0.080 0.000 2.871 53 S HA -0.013 4.457 4.470 -0.000 0.000 0.254 53 S C 0.841 175.402 174.600 -0.065 0.000 1.088 53 S CA 0.154 58.310 58.200 -0.073 0.000 1.166 53 S CB -0.523 62.648 63.200 -0.048 0.000 0.826 53 S HN 0.692 nan 8.310 nan 0.000 0.471 54 T N -4.611 109.897 114.554 -0.076 0.000 3.111 54 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 54 T C 1.439 176.097 174.700 -0.070 0.000 0.983 54 T CA 0.293 62.359 62.100 -0.057 0.000 0.900 54 T CB 0.177 69.022 68.868 -0.038 0.000 1.132 54 T HN 1.038 nan 8.240 nan 0.000 0.531 55 G N 1.266 109.999 108.800 -0.112 0.000 2.253 55 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 55 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 55 G C 0.193 175.001 174.900 -0.154 0.000 0.998 55 G CA 0.116 45.140 45.100 -0.127 0.000 0.621 55 G HN 0.766 nan 8.290 nan 0.000 0.524 56 S N -0.120 115.507 115.700 -0.121 0.000 2.608 56 S HA 0.652 5.122 4.470 -0.000 0.000 0.291 56 S C -0.100 174.439 174.600 -0.102 0.000 1.146 56 S CA -0.647 57.515 58.200 -0.064 0.000 1.043 56 S CB 1.044 64.253 63.200 0.015 0.000 1.037 56 S HN 0.362 nan 8.310 nan 0.000 0.520 57 W N 2.051 123.339 121.300 -0.020 0.000 2.093 57 W HA 0.277 4.937 4.660 -0.000 0.000 0.352 57 W C 0.977 177.488 176.519 -0.014 0.000 1.294 57 W CA -0.372 56.958 57.345 -0.024 0.000 1.290 57 W CB 0.200 29.635 29.460 -0.043 0.000 1.149 57 W HN 0.676 nan 8.180 nan 0.000 0.606 58 S N 0.143 116.009 115.700 0.277 0.000 2.552 58 S HA 0.038 4.508 4.470 -0.000 0.000 0.289 58 S C 0.175 174.854 174.600 0.132 0.000 1.304 58 S CA -0.707 57.587 58.200 0.156 0.000 1.063 58 S CB 0.844 64.129 63.200 0.141 0.000 0.848 58 S HN 0.501 nan 8.310 nan 0.000 0.499 59 T N 2.778 117.382 114.554 0.083 0.000 2.940 59 T HA 0.142 4.492 4.350 -0.000 0.000 0.309 59 T C 0.192 174.918 174.700 0.043 0.000 1.056 59 T CA -0.509 61.627 62.100 0.059 0.000 1.137 59 T CB -0.426 68.465 68.868 0.038 0.000 0.976 59 T HN 0.566 nan 8.240 nan 0.000 0.547 60 L N 5.959 127.196 121.223 0.023 0.000 2.462 60 L HA 0.257 4.597 4.340 -0.000 0.000 0.283 60 L C 0.715 177.564 176.870 -0.035 0.000 1.166 60 L CA -0.293 54.540 54.840 -0.012 0.000 0.964 60 L CB -0.119 41.915 42.059 -0.042 0.000 1.294 60 L HN 0.396 nan 8.230 nan 0.000 0.449 61 K N 2.030 122.416 120.400 -0.023 0.000 2.156 61 K HA 0.378 4.698 4.320 -0.000 0.000 0.271 61 K C 0.566 177.135 176.600 -0.051 0.000 0.995 61 K CA -0.297 55.976 56.287 -0.024 0.000 0.890 61 K CB 1.903 34.404 32.500 0.001 0.000 1.073 61 K HN 0.503 nan 8.250 nan 0.000 0.454 62 T N -0.934 113.589 114.554 -0.052 0.000 2.994 62 T HA 0.051 4.401 4.350 -0.000 0.000 0.322 62 T C 1.243 175.946 174.700 0.005 0.000 1.199 62 T CA -0.019 62.047 62.100 -0.055 0.000 0.945 62 T CB 0.313 69.169 68.868 -0.020 0.000 1.754 62 T HN 0.340 nan 8.240 nan 0.000 0.571 63 Q N -0.085 119.739 119.800 0.040 0.000 2.302 63 Q HA 0.111 4.451 4.340 -0.000 0.000 0.202 63 Q C 0.922 176.947 176.000 0.043 0.000 0.936 63 Q CA 1.000 56.832 55.803 0.048 0.000 0.886 63 Q CB -0.153 28.626 28.738 0.067 0.000 0.986 63 Q HN 0.633 nan 8.270 nan 0.000 0.487 64 D N -0.240 120.189 120.400 0.047 0.000 2.336 64 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 64 D C -0.316 176.003 176.300 0.031 0.000 1.120 64 D CA 0.056 54.081 54.000 0.041 0.000 0.839 64 D CB 0.262 41.091 40.800 0.048 0.000 0.932 64 D HN 0.073 nan 8.370 nan 0.000 0.509 65 Q N 0.052 119.867 119.800 0.025 0.000 2.468 65 Q HA -0.222 4.118 4.340 -0.000 0.000 0.289 65 Q C -0.937 175.073 176.000 0.017 0.000 1.299 65 Q CA 0.735 56.548 55.803 0.018 0.000 0.838 65 Q CB -1.441 27.308 28.738 0.018 0.000 1.195 65 Q HN 0.299 nan 8.270 nan 0.000 0.456 66 K N -0.332 120.078 120.400 0.017 0.000 2.123 66 K HA 0.627 4.947 4.320 -0.000 0.000 0.248 66 K C -0.217 176.387 176.600 0.007 0.000 0.969 66 K CA -0.539 55.759 56.287 0.019 0.000 0.882 66 K CB 1.383 33.903 32.500 0.034 0.000 1.080 66 K HN 0.026 nan 8.250 nan 0.000 0.441 67 T N 1.248 115.809 114.554 0.011 0.000 2.837 67 T HA 0.355 4.705 4.350 -0.000 0.000 0.285 67 T C -0.493 174.210 174.700 0.006 0.000 0.984 67 T CA -0.663 61.440 62.100 0.005 0.000 1.049 67 T CB 1.054 69.929 68.868 0.011 0.000 0.947 67 T HN 0.160 nan 8.240 nan 0.000 0.472 68 V N 4.250 124.159 119.914 -0.009 0.000 2.656 68 V HA 0.381 4.501 4.120 -0.000 0.000 0.307 68 V C 0.954 177.045 176.094 -0.004 0.000 1.051 68 V CA -0.904 61.396 62.300 0.000 0.000 0.893 68 V CB 2.015 33.825 31.823 -0.021 0.000 0.999 68 V HN 0.797 nan 8.190 nan 0.000 0.426 69 R N 1.629 122.133 120.500 0.007 0.000 2.051 69 R HA 0.068 4.408 4.340 -0.000 0.000 0.225 69 R C 0.516 176.810 176.300 -0.011 0.000 1.155 69 R CA 0.674 56.775 56.100 0.002 0.000 0.945 69 R CB 0.046 30.349 30.300 0.006 0.000 0.840 69 R HN 0.444 nan 8.270 nan 0.000 0.432 70 K N 1.049 121.441 120.400 -0.014 0.000 2.182 70 K HA 0.388 4.708 4.320 -0.000 0.000 0.262 70 K C -1.287 175.278 176.600 -0.058 0.000 0.957 70 K CA -0.401 55.864 56.287 -0.037 0.000 0.842 70 K CB 1.846 34.327 32.500 -0.031 0.000 1.099 70 K HN 0.171 nan 8.250 nan 0.000 0.438 71 A N 3.863 126.604 122.820 -0.131 0.000 2.363 71 A HA 0.414 4.734 4.320 -0.000 0.000 0.270 71 A C -0.871 176.592 177.584 -0.201 0.000 1.121 71 A CA -0.262 51.635 52.037 -0.233 0.000 0.800 71 A CB 0.164 18.837 19.000 -0.545 0.000 1.052 71 A HN 0.815 nan 8.150 nan 0.000 0.493 72 E N 0.918 121.040 120.200 -0.130 0.000 2.272 72 E HA 0.315 4.665 4.350 -0.000 0.000 0.269 72 E C -1.509 174.975 176.600 -0.193 0.000 0.877 72 E CA -0.662 55.654 56.400 -0.140 0.000 0.755 72 E CB 1.882 31.523 29.700 -0.098 0.000 1.192 72 E HN 0.620 nan 8.360 nan 0.000 0.422 73 c N 3.086 121.554 118.600 -0.220 0.000 2.442 73 c HA 0.280 4.850 4.570 -0.000 0.000 0.362 73 c C 0.458 174.437 174.090 -0.185 0.000 1.242 73 c CA -0.390 55.798 56.329 -0.236 0.000 1.741 73 c CB -1.251 41.124 42.510 -0.224 0.000 2.378 73 c HN 0.484 nan 8.230 nan 0.000 0.549 74 R N 2.204 122.514 120.500 -0.316 0.000 2.668 74 R HA 0.662 5.002 4.340 -0.000 0.000 0.279 74 R C 0.125 176.437 176.300 0.020 0.000 0.976 74 R CA -0.438 55.562 56.100 -0.167 0.000 0.978 74 R CB 1.105 31.188 30.300 -0.361 0.000 1.133 74 R HN 0.767 nan 8.270 nan 0.000 0.484 75 A N 2.651 125.501 122.820 0.050 0.000 2.498 75 A HA 0.125 4.445 4.320 -0.000 0.000 0.239 75 A C 0.311 177.676 177.584 -0.366 0.000 1.068 75 A CA -0.066 51.698 52.037 -0.456 0.000 0.766 75 A CB -0.069 18.606 19.000 -0.542 0.000 1.003 75 A HN 0.656 nan 8.150 nan 0.000 0.497 76 I N 3.092 123.386 120.570 -0.460 0.000 2.347 76 I HA 0.147 4.317 4.170 -0.000 0.000 0.294 76 I C -0.144 175.763 176.117 -0.349 0.000 1.090 76 I CA 0.112 61.215 61.300 -0.328 0.000 1.314 76 I CB -0.193 37.614 38.000 -0.322 0.000 1.423 76 I HN 0.653 nan 8.210 nan 0.000 0.503 77 H N 3.969 123.078 119.070 0.065 0.000 2.533 77 H HA 0.411 4.967 4.556 -0.000 0.000 0.343 77 H C -0.579 174.798 175.328 0.082 0.000 1.160 77 H CA -0.490 55.619 56.048 0.101 0.000 1.218 77 H CB 1.328 31.194 29.762 0.173 0.000 1.566 77 H HN 0.507 nan 8.280 nan 0.000 0.522 78 c N 3.721 122.382 118.600 0.102 0.000 2.350 78 c HA 0.271 4.841 4.570 -0.000 0.000 0.348 78 c C -2.064 172.204 174.090 0.296 0.000 1.260 78 c CA -1.639 54.614 56.329 -0.126 0.000 1.966 78 c CB 0.397 42.265 42.510 -1.069 0.000 2.380 78 c HN 0.655 nan 8.230 nan 0.000 0.535 79 P HA -0.020 nan 4.420 nan 0.000 0.257 79 P C -0.306 177.360 177.300 0.610 0.000 1.162 79 P CA 0.670 64.015 63.100 0.408 0.000 0.762 79 P CB 0.222 32.108 31.700 0.309 0.000 0.753 80 R N 4.668 125.478 120.500 0.517 0.000 2.390 80 R HA 0.425 4.765 4.340 -0.000 0.000 0.291 80 R C -2.521 173.994 176.300 0.358 0.000 1.070 80 R CA -2.134 54.303 56.100 0.562 0.000 1.014 80 R CB -0.425 30.185 30.300 0.517 0.000 1.007 80 R HN 0.236 nan 8.270 nan 0.000 0.466 81 P HA 0.009 nan 4.420 nan 0.000 0.265 81 P C -0.856 176.531 177.300 0.144 0.000 1.222 81 P CA 0.102 63.190 63.100 -0.020 0.000 0.767 81 P CB 0.201 31.569 31.700 -0.553 0.000 0.801 82 H N 0.169 119.288 119.070 0.081 0.000 2.512 82 H HA 0.548 5.104 4.556 -0.000 0.000 0.276 82 H C -0.664 174.729 175.328 0.108 0.000 1.126 82 H CA -0.604 55.516 56.048 0.120 0.000 1.060 82 H CB 0.203 30.035 29.762 0.117 0.000 1.646 82 H HN 0.095 nan 8.280 nan 0.000 0.571 83 D N 0.398 120.710 120.400 -0.148 0.000 2.711 83 D HA 0.249 4.889 4.640 -0.000 0.000 0.204 83 D C -1.988 174.330 176.300 0.031 0.000 1.257 83 D CA -0.482 53.462 54.000 -0.094 0.000 0.808 83 D CB 0.998 41.649 40.800 -0.248 0.000 1.780 83 D HN 0.216 nan 8.370 nan 0.000 0.537 84 F N 2.651 122.557 119.950 -0.074 0.000 2.622 84 F HA 0.394 4.921 4.527 -0.000 0.000 0.318 84 F C -1.456 174.331 175.800 -0.022 0.000 1.135 84 F CA -0.500 57.459 58.000 -0.068 0.000 1.015 84 F CB 1.417 40.373 39.000 -0.073 0.000 1.275 84 F HN 0.312 nan 8.300 nan 0.000 0.457 85 E N 3.524 123.378 120.200 -0.577 0.000 2.320 85 E HA 0.467 4.817 4.350 -0.000 0.000 0.264 85 E C -0.612 175.699 176.600 -0.482 0.000 0.923 85 E CA -0.995 55.208 56.400 -0.328 0.000 0.796 85 E CB 1.481 31.048 29.700 -0.221 0.000 1.262 85 E HN 0.587 nan 8.360 nan 0.000 0.428 86 N N -0.829 117.720 118.700 -0.251 0.000 2.753 86 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 86 N C -0.315 174.898 175.510 -0.496 0.000 1.097 86 N CA 1.630 54.422 53.050 -0.429 0.000 0.786 86 N CB -1.293 36.693 38.487 -0.835 0.000 1.137 86 N HN 0.894 nan 8.380 nan 0.000 0.566 87 G N -1.305 107.200 108.800 -0.492 0.000 2.427 87 G HA2 0.507 4.467 3.960 -0.000 0.000 0.306 87 G HA3 0.507 4.467 3.960 -0.000 0.000 0.306 87 G C -2.021 172.764 174.900 -0.192 0.000 1.280 87 G CA -0.260 44.497 45.100 -0.571 0.000 0.837 87 G HN 0.181 nan 8.290 nan 0.000 0.482 88 E N -1.363 118.715 120.200 -0.202 0.000 2.367 88 E HA 0.711 5.061 4.350 -0.000 0.000 0.273 88 E C -1.730 174.616 176.600 -0.423 0.000 0.903 88 E CA -0.891 55.361 56.400 -0.245 0.000 0.764 88 E CB 1.848 31.363 29.700 -0.309 0.000 1.252 88 E HN 0.827 nan 8.360 nan 0.000 0.446 89 Y N 0.891 120.813 120.300 -0.630 0.000 2.442 89 Y HA 0.863 5.413 4.550 -0.000 0.000 0.344 89 Y C -1.573 174.098 175.900 -0.382 0.000 0.976 89 Y CA -1.374 56.255 58.100 -0.785 0.000 1.040 89 Y CB 0.963 38.722 38.460 -1.168 0.000 1.228 89 Y HN 0.485 nan 8.280 nan 0.000 0.451 90 W N 2.325 123.336 121.300 -0.482 0.000 2.936 90 W HA 0.908 5.567 4.660 -0.000 0.000 0.338 90 W C -3.546 172.828 176.519 -0.242 0.000 1.121 90 W CA -3.659 53.472 57.345 -0.357 0.000 1.209 90 W CB 0.663 29.972 29.460 -0.252 0.000 1.420 90 W HN 0.430 nan 8.180 nan 0.000 0.516 91 P HA 0.474 nan 4.420 nan 0.000 0.283 91 P C -0.548 176.785 177.300 0.056 0.000 1.271 91 P CA -0.646 62.481 63.100 0.044 0.000 0.841 91 P CB 1.157 32.862 31.700 0.008 0.000 1.122 92 R N 0.760 121.222 120.500 -0.063 0.000 2.265 92 R HA 0.609 4.949 4.340 -0.000 0.000 0.319 92 R C -0.392 175.864 176.300 -0.072 0.000 1.006 92 R CA -0.140 55.938 56.100 -0.037 0.000 0.880 92 R CB 0.765 30.962 30.300 -0.172 0.000 1.077 92 R HN 0.496 nan 8.270 nan 0.000 0.454 93 S N 2.897 118.486 115.700 -0.185 0.000 2.595 93 S HA 0.309 4.779 4.470 -0.000 0.000 0.281 93 S C -2.037 172.327 174.600 -0.394 0.000 1.117 93 S CA -1.201 56.739 58.200 -0.434 0.000 0.873 93 S CB 2.199 64.941 63.200 -0.763 0.000 1.108 93 S HN 0.405 nan 8.310 nan 0.000 0.477 94 P HA 0.049 nan 4.420 nan 0.000 0.222 94 P C -0.612 176.676 177.300 -0.021 0.000 1.147 94 P CA 1.213 64.244 63.100 -0.114 0.000 0.790 94 P CB -0.117 31.578 31.700 -0.008 0.000 0.780 95 Y N -5.382 114.745 120.300 -0.289 0.000 2.662 95 Y HA 0.566 5.116 4.550 -0.000 0.000 0.334 95 Y C -1.658 174.074 175.900 -0.281 0.000 1.185 95 Y CA -2.014 55.951 58.100 -0.225 0.000 1.074 95 Y CB 0.148 38.421 38.460 -0.312 0.000 1.330 95 Y HN -0.299 nan 8.280 nan 0.000 0.458 96 Y N 1.777 122.321 120.300 0.408 0.000 2.331 96 Y HA 0.470 5.020 4.550 -0.000 0.000 0.334 96 Y C -0.085 176.007 175.900 0.321 0.000 0.960 96 Y CA -0.965 57.334 58.100 0.331 0.000 1.130 96 Y CB 1.395 40.111 38.460 0.427 0.000 1.164 96 Y HN 0.623 nan 8.280 nan 0.000 0.458 97 N N 0.685 119.592 118.700 0.345 0.000 2.327 97 N HA 0.245 4.985 4.740 -0.000 0.000 0.257 97 N C -0.468 175.037 175.510 -0.007 0.000 1.281 97 N CA -0.518 52.595 53.050 0.105 0.000 0.942 97 N CB 0.681 39.208 38.487 0.067 0.000 1.199 97 N HN 0.273 nan 8.380 nan 0.000 0.532 98 V N 0.875 120.723 119.914 -0.109 0.000 2.843 98 V HA 0.035 4.155 4.120 -0.000 0.000 0.305 98 V C 1.170 177.231 176.094 -0.056 0.000 1.065 98 V CA 0.849 63.079 62.300 -0.116 0.000 1.116 98 V CB 0.630 32.373 31.823 -0.134 0.000 0.968 98 V HN 1.010 nan 8.190 nan 0.000 0.487 99 S N 0.971 116.641 115.700 -0.051 0.000 2.857 99 S HA -0.186 4.284 4.470 -0.000 0.000 0.268 99 S C 0.007 174.631 174.600 0.039 0.000 1.297 99 S CA 0.935 59.132 58.200 -0.005 0.000 1.280 99 S CB -1.970 61.227 63.200 -0.004 0.000 1.562 99 S HN 0.812 nan 8.310 nan 0.000 0.661 100 D N 2.721 123.161 120.400 0.066 0.000 2.414 100 D HA 0.506 5.146 4.640 -0.000 0.000 0.242 100 D C 0.451 176.887 176.300 0.227 0.000 1.129 100 D CA 0.404 54.502 54.000 0.164 0.000 0.885 100 D CB 0.654 41.628 40.800 0.290 0.000 1.198 100 D HN 0.661 nan 8.370 nan 0.000 0.437 101 E N 1.036 121.348 120.200 0.186 0.000 2.195 101 E HA 0.607 4.957 4.350 -0.000 0.000 0.271 101 E C -0.276 176.374 176.600 0.083 0.000 0.923 101 E CA -0.804 55.694 56.400 0.163 0.000 0.790 101 E CB 2.117 31.862 29.700 0.076 0.000 1.155 101 E HN 0.406 nan 8.360 nan 0.000 0.402 102 I N -1.275 119.296 120.570 0.002 0.000 2.619 102 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 102 I C -0.697 175.319 176.117 -0.168 0.000 1.100 102 I CA -0.738 60.454 61.300 -0.180 0.000 1.043 102 I CB 2.130 39.833 38.000 -0.496 0.000 1.239 102 I HN 0.354 nan 8.210 nan 0.000 0.420 103 S N 4.148 119.804 115.700 -0.073 0.000 2.607 103 S HA 0.796 5.266 4.470 -0.000 0.000 0.303 103 S C -0.928 173.583 174.600 -0.149 0.000 1.086 103 S CA -0.643 57.612 58.200 0.092 0.000 0.995 103 S CB 1.685 65.087 63.200 0.336 0.000 1.084 103 S HN 0.508 nan 8.310 nan 0.000 0.507 104 F N 0.689 120.667 119.950 0.047 0.000 2.546 104 F HA 0.559 5.086 4.527 -0.000 0.000 0.320 104 F C 0.463 176.242 175.800 -0.036 0.000 1.076 104 F CA -0.528 57.403 58.000 -0.115 0.000 0.928 104 F CB 1.694 40.596 39.000 -0.163 0.000 1.189 104 F HN 0.682 nan 8.300 nan 0.000 0.465 105 H N 1.282 120.299 119.070 -0.089 0.000 2.894 105 H HA 0.515 5.071 4.556 -0.000 0.000 0.367 105 H C -1.576 173.691 175.328 -0.101 0.000 1.144 105 H CA -0.606 55.374 56.048 -0.114 0.000 1.180 105 H CB 2.112 31.699 29.762 -0.292 0.000 1.758 105 H HN 0.740 nan 8.280 nan 0.000 0.541 106 c N 3.797 122.057 118.600 -0.567 0.000 2.366 106 c HA 0.357 4.927 4.570 -0.000 0.000 0.345 106 c C 0.066 173.994 174.090 -0.271 0.000 1.209 106 c CA -0.675 55.452 56.329 -0.337 0.000 2.050 106 c CB -0.146 42.269 42.510 -0.158 0.000 2.359 106 c HN 0.624 nan 8.230 nan 0.000 0.527 107 Y N 0.957 121.256 120.300 -0.001 0.000 2.321 107 Y HA 0.105 4.655 4.550 -0.000 0.000 0.353 107 Y C 1.157 177.165 175.900 0.180 0.000 1.276 107 Y CA 0.545 58.708 58.100 0.106 0.000 1.545 107 Y CB 0.142 38.664 38.460 0.104 0.000 1.377 107 Y HN 0.587 nan 8.280 nan 0.000 0.650 108 D N -0.371 120.251 120.400 0.370 0.000 2.378 108 D HA 0.244 4.884 4.640 -0.000 0.000 0.238 108 D C 1.291 177.711 176.300 0.201 0.000 1.180 108 D CA 1.363 55.497 54.000 0.223 0.000 0.895 108 D CB 0.348 41.238 40.800 0.150 0.000 1.192 108 D HN 0.764 nan 8.370 nan 0.000 0.438 109 G N 0.114 108.951 108.800 0.062 0.000 2.189 109 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 109 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 109 G C -0.118 174.647 174.900 -0.225 0.000 0.975 109 G CA 0.462 45.507 45.100 -0.093 0.000 0.644 109 G HN 0.443 nan 8.290 nan 0.000 0.537 110 Y N 0.857 121.177 120.300 0.033 0.000 2.377 110 Y HA 0.601 5.151 4.550 -0.000 0.000 0.339 110 Y C 0.817 176.703 175.900 -0.023 0.000 1.011 110 Y CA -0.354 57.754 58.100 0.012 0.000 1.093 110 Y CB 2.009 40.486 38.460 0.028 0.000 1.201 110 Y HN 0.047 nan 8.280 nan 0.000 0.455 111 T N 4.613 119.237 114.554 0.117 0.000 2.875 111 T HA 0.371 4.721 4.350 -0.000 0.000 0.284 111 T C -1.063 173.655 174.700 0.030 0.000 0.995 111 T CA -0.555 61.572 62.100 0.045 0.000 1.060 111 T CB 0.877 69.756 68.868 0.017 0.000 0.967 111 T HN 0.347 nan 8.240 nan 0.000 0.476 112 L N 4.645 125.867 121.223 -0.002 0.000 2.265 112 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 112 L C 0.103 176.962 176.870 -0.018 0.000 1.033 112 L CA -0.491 54.340 54.840 -0.015 0.000 0.814 112 L CB 0.418 42.465 42.059 -0.021 0.000 1.203 112 L HN 0.690 nan 8.230 nan 0.000 0.423 113 R N 4.264 124.744 120.500 -0.034 0.000 2.637 113 R HA 0.958 5.298 4.340 -0.000 0.000 0.291 113 R C -0.226 176.037 176.300 -0.060 0.000 0.963 113 R CA -0.073 56.002 56.100 -0.042 0.000 0.901 113 R CB 1.536 31.807 30.300 -0.048 0.000 1.160 113 R HN 0.998 nan 8.270 nan 0.000 0.457 114 G N 1.064 109.834 108.800 -0.051 0.000 2.603 114 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 114 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 114 G C -1.059 173.813 174.900 -0.048 0.000 1.286 114 G CA -0.562 44.498 45.100 -0.066 0.000 0.871 114 G HN 0.626 nan 8.290 nan 0.000 0.568 115 S N 0.599 116.268 115.700 -0.051 0.000 2.546 115 S HA 0.398 4.868 4.470 -0.000 0.000 0.290 115 S C 1.654 176.271 174.600 0.029 0.000 1.262 115 S CA 0.780 58.979 58.200 -0.003 0.000 1.083 115 S CB 1.142 64.347 63.200 0.009 0.000 0.859 115 S HN 1.806 nan 8.310 nan 0.000 0.495 116 A N 4.665 127.539 122.820 0.089 0.000 1.872 116 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 116 A C 0.759 178.498 177.584 0.258 0.000 1.187 116 A CA 0.735 52.874 52.037 0.170 0.000 0.614 116 A CB -0.173 18.915 19.000 0.147 0.000 0.826 116 A HN 0.704 nan 8.150 nan 0.000 0.442 117 N N 0.629 119.438 118.700 0.182 0.000 2.421 117 N HA 0.520 5.260 4.740 -0.000 0.000 0.285 117 N C -0.808 174.803 175.510 0.168 0.000 1.027 117 N CA -0.128 53.026 53.050 0.172 0.000 0.918 117 N CB 1.283 39.842 38.487 0.120 0.000 1.152 117 N HN 0.317 nan 8.380 nan 0.000 0.485 118 R N 0.426 121.040 120.500 0.190 0.000 2.686 118 R HA 0.566 4.906 4.340 -0.000 0.000 0.286 118 R C -0.746 175.751 176.300 0.329 0.000 0.969 118 R CA -0.704 55.534 56.100 0.231 0.000 0.898 118 R CB 1.916 32.352 30.300 0.225 0.000 1.183 118 R HN 0.373 nan 8.270 nan 0.000 0.456 119 T N 0.909 115.672 114.554 0.348 0.000 2.829 119 T HA 0.137 4.487 4.350 -0.000 0.000 0.280 119 T C -0.460 174.367 174.700 0.212 0.000 0.999 119 T CA -0.451 61.830 62.100 0.302 0.000 0.983 119 T CB 1.450 70.403 68.868 0.142 0.000 0.968 119 T HN 0.609 nan 8.240 nan 0.000 0.446 120 c N 5.134 123.694 118.600 -0.068 0.000 2.610 120 c HA 0.252 4.822 4.570 -0.000 0.000 0.382 120 c C 0.709 174.633 174.090 -0.277 0.000 1.287 120 c CA -0.150 55.810 56.329 -0.615 0.000 1.640 120 c CB -1.787 40.224 42.510 -0.831 0.000 2.335 120 c HN 0.827 nan 8.230 nan 0.000 0.577 121 Q N 2.912 122.572 119.800 -0.233 0.000 2.222 121 Q HA 0.208 4.548 4.340 -0.000 0.000 0.211 121 Q C 1.052 176.983 176.000 -0.115 0.000 1.013 121 Q CA -0.500 55.233 55.803 -0.117 0.000 0.993 121 Q CB 1.009 29.709 28.738 -0.064 0.000 1.151 121 Q HN 0.637 nan 8.270 nan 0.000 0.544 122 V N 1.459 121.341 119.914 -0.053 0.000 2.970 122 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 122 V C 1.057 177.157 176.094 0.010 0.000 1.100 122 V CA 1.750 64.035 62.300 -0.026 0.000 1.122 122 V CB -0.542 31.287 31.823 0.010 0.000 0.721 122 V HN 0.800 nan 8.190 nan 0.000 0.483 123 N N 0.772 119.460 118.700 -0.020 0.000 2.370 123 N HA 0.146 4.886 4.740 -0.000 0.000 0.198 123 N C 1.241 176.661 175.510 -0.150 0.000 1.156 123 N CA 0.768 53.756 53.050 -0.104 0.000 0.839 123 N CB -0.150 38.222 38.487 -0.192 0.000 0.989 123 N HN 0.561 nan 8.380 nan 0.000 0.468 124 G N 0.105 108.868 108.800 -0.061 0.000 2.198 124 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 124 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 124 G C -0.281 174.485 174.900 -0.223 0.000 1.025 124 G CA 0.194 45.265 45.100 -0.048 0.000 0.769 124 G HN 0.556 nan 8.290 nan 0.000 0.507 125 R N -1.853 118.497 120.500 -0.249 0.000 2.795 125 R HA 0.521 4.861 4.340 -0.000 0.000 0.275 125 R C -0.736 175.428 176.300 -0.227 0.000 0.981 125 R CA -0.984 54.989 56.100 -0.212 0.000 0.917 125 R CB 1.242 31.468 30.300 -0.124 0.000 1.202 125 R HN 0.171 nan 8.270 nan 0.000 0.469 126 W N 1.707 122.996 121.300 -0.018 0.000 2.272 126 W HA 0.176 4.836 4.660 -0.000 0.000 0.318 126 W C 0.902 177.417 176.519 -0.007 0.000 1.255 126 W CA -0.126 57.215 57.345 -0.007 0.000 1.200 126 W CB 1.027 30.484 29.460 -0.006 0.000 1.170 126 W HN 0.530 nan 8.180 nan 0.000 0.549 127 S N 3.035 118.887 115.700 0.253 0.000 2.589 127 S HA 0.701 5.171 4.470 -0.000 0.000 0.265 127 S C 0.735 175.417 174.600 0.137 0.000 1.342 127 S CA 0.053 58.343 58.200 0.150 0.000 1.005 127 S CB 0.769 64.044 63.200 0.125 0.000 0.909 127 S HN 1.397 nan 8.310 nan 0.000 0.555 128 G N 0.942 109.793 108.800 0.085 0.000 2.752 128 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.234 128 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.234 128 G C -0.877 174.041 174.900 0.029 0.000 1.367 128 G CA -0.225 44.908 45.100 0.055 0.000 0.879 128 G HN 0.915 nan 8.290 nan 0.000 0.563 129 Q N -0.518 119.280 119.800 -0.005 0.000 2.180 129 Q HA 0.579 4.919 4.340 -0.000 0.000 0.241 129 Q C 0.536 176.477 176.000 -0.098 0.000 0.970 129 Q CA -0.400 55.380 55.803 -0.040 0.000 0.919 129 Q CB 0.627 29.341 28.738 -0.041 0.000 1.222 129 Q HN 0.696 nan 8.270 nan 0.000 0.482 130 T N 1.359 115.837 114.554 -0.127 0.000 2.928 130 T HA 0.280 4.630 4.350 -0.000 0.000 0.305 130 T C -0.057 174.486 174.700 -0.261 0.000 1.035 130 T CA -0.140 61.835 62.100 -0.209 0.000 1.145 130 T CB 0.283 69.042 68.868 -0.182 0.000 0.963 130 T HN 0.566 nan 8.240 nan 0.000 0.545 131 A N 4.295 126.849 122.820 -0.444 0.000 2.362 131 A HA 0.618 4.938 4.320 -0.000 0.000 0.276 131 A C -0.049 177.395 177.584 -0.234 0.000 1.153 131 A CA -0.472 51.318 52.037 -0.412 0.000 0.813 131 A CB -0.120 18.356 19.000 -0.874 0.000 1.081 131 A HN 0.850 nan 8.150 nan 0.000 0.507 132 I N 2.001 122.474 120.570 -0.163 0.000 2.478 132 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 132 I C -0.934 175.101 176.117 -0.138 0.000 1.042 132 I CA -0.399 60.792 61.300 -0.182 0.000 1.067 132 I CB 2.040 39.939 38.000 -0.169 0.000 1.233 132 I HN 0.519 nan 8.210 nan 0.000 0.431 133 c N 4.101 122.579 118.600 -0.204 0.000 2.223 133 c HA 0.441 5.011 4.570 -0.000 0.000 0.324 133 c C 0.101 174.162 174.090 -0.049 0.000 1.196 133 c CA -0.272 55.979 56.329 -0.129 0.000 1.628 133 c CB -0.496 41.879 42.510 -0.225 0.000 2.229 133 c HN 0.612 nan 8.230 nan 0.000 0.486 134 D N 1.742 122.187 120.400 0.075 0.000 2.340 134 D HA 0.357 4.997 4.640 -0.000 0.000 0.240 134 D C 0.570 177.020 176.300 0.250 0.000 1.001 134 D CA -0.333 53.750 54.000 0.139 0.000 0.888 134 D CB 1.135 41.941 40.800 0.010 0.000 1.310 134 D HN 0.526 nan 8.370 nan 0.000 0.474 135 N N 1.115 119.934 118.700 0.198 0.000 2.184 135 N HA 0.147 4.887 4.740 -0.000 0.000 0.206 135 N C 0.875 176.377 175.510 -0.013 0.000 1.151 135 N CA 0.299 53.330 53.050 -0.032 0.000 0.878 135 N CB 0.325 38.663 38.487 -0.249 0.000 1.014 135 N HN 0.565 nan 8.380 nan 0.000 0.512 136 G N 0.109 108.930 108.800 0.035 0.000 2.372 136 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.297 136 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.297 136 G C 0.600 175.521 174.900 0.034 0.000 1.005 136 G CA 0.410 45.527 45.100 0.028 0.000 1.173 136 G HN 0.855 nan 8.290 nan 0.000 0.511 137 A N -0.722 122.142 122.820 0.073 0.000 2.469 137 A HA 0.738 5.058 4.320 -0.000 0.000 0.245 137 A C 1.252 178.902 177.584 0.110 0.000 1.221 137 A CA 1.164 53.240 52.037 0.065 0.000 0.946 137 A CB 0.586 19.615 19.000 0.049 0.000 1.049 137 A HN 1.769 nan 8.150 nan 0.000 0.529 138 G N -2.698 106.199 108.800 0.162 0.000 2.473 138 G HA2 0.398 4.358 3.960 -0.000 0.000 0.321 138 G HA3 0.398 4.358 3.960 -0.000 0.000 0.321 138 G C 0.272 175.291 174.900 0.198 0.000 1.200 138 G CA -0.433 44.798 45.100 0.217 0.000 0.963 138 G HN 0.122 nan 8.290 nan 0.000 0.483 139 Y N 0.129 120.484 120.300 0.092 0.000 2.151 139 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 139 Y C 1.418 177.324 175.900 0.009 0.000 1.166 139 Y CA 0.907 59.050 58.100 0.071 0.000 1.163 139 Y CB 0.006 38.487 38.460 0.034 0.000 0.974 139 Y HN 0.403 nan 8.280 nan 0.000 0.511 140 c N 0.519 119.155 118.600 0.060 0.000 2.397 140 c HA 0.523 5.093 4.570 -0.000 0.000 0.343 140 c C 0.439 174.586 174.090 0.096 0.000 1.188 140 c CA -0.780 55.496 56.329 -0.087 0.000 1.992 140 c CB 0.808 43.001 42.510 -0.528 0.000 2.358 140 c HN 0.518 nan 8.230 nan 0.000 0.518 141 S N 1.771 117.532 115.700 0.102 0.000 2.608 141 S HA 0.134 4.604 4.470 -0.000 0.000 0.261 141 S C -0.146 174.448 174.600 -0.010 0.000 1.314 141 S CA -0.351 57.881 58.200 0.053 0.000 0.992 141 S CB 0.199 63.412 63.200 0.023 0.000 0.935 141 S HN 0.768 nan 8.310 nan 0.000 0.564 142 N N 1.772 120.287 118.700 -0.308 0.000 2.438 142 N HA 0.207 4.947 4.740 -0.000 0.000 0.267 142 N C -1.811 173.466 175.510 -0.388 0.000 1.222 142 N CA -1.966 50.690 53.050 -0.657 0.000 0.930 142 N CB 0.491 38.689 38.487 -0.481 0.000 1.083 142 N HN 0.285 nan 8.380 nan 0.000 0.476 143 P HA 0.026 nan 4.420 nan 0.000 0.221 143 P C 0.253 177.391 177.300 -0.270 0.000 1.145 143 P CA 1.019 63.821 63.100 -0.497 0.000 0.795 143 P CB -0.215 30.995 31.700 -0.817 0.000 0.775 144 G N -0.348 108.309 108.800 -0.238 0.000 2.795 144 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.664 144 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.664 144 G C -0.724 174.132 174.900 -0.074 0.000 1.381 144 G CA -0.617 44.371 45.100 -0.186 0.000 0.853 144 G HN 0.164 nan 8.290 nan 0.000 0.545 145 I N 1.616 122.123 120.570 -0.105 0.000 2.537 145 I HA 0.269 4.439 4.170 -0.000 0.000 0.276 145 I C -2.231 173.843 176.117 -0.071 0.000 1.063 145 I CA -1.818 59.475 61.300 -0.011 0.000 1.144 145 I CB 1.957 39.920 38.000 -0.062 0.000 1.252 145 I HN 0.174 nan 8.210 nan 0.000 0.480 146 P HA 0.033 nan 4.420 nan 0.000 0.263 146 P C 0.130 177.389 177.300 -0.069 0.000 1.175 146 P CA 0.203 63.229 63.100 -0.124 0.000 0.761 146 P CB 0.465 32.063 31.700 -0.170 0.000 0.794 147 I N 2.300 122.823 120.570 -0.077 0.000 2.741 147 I HA -0.000 4.170 4.170 -0.000 0.000 0.288 147 I C 1.680 177.839 176.117 0.070 0.000 1.192 147 I CA 1.370 62.642 61.300 -0.047 0.000 1.426 147 I CB -0.597 37.320 38.000 -0.139 0.000 1.367 147 I HN 0.771 nan 8.210 nan 0.000 0.563 148 G N 3.762 112.636 108.800 0.122 0.000 2.213 148 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 148 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 148 G C 0.280 175.353 174.900 0.288 0.000 0.992 148 G CA 0.138 45.382 45.100 0.240 0.000 0.632 148 G HN 0.778 nan 8.290 nan 0.000 0.511 149 T N -2.288 112.350 114.554 0.140 0.000 2.889 149 T HA 0.761 5.111 4.350 -0.000 0.000 0.278 149 T C -0.150 174.522 174.700 -0.046 0.000 0.995 149 T CA 0.036 62.231 62.100 0.159 0.000 0.966 149 T CB 2.465 71.415 68.868 0.137 0.000 1.237 149 T HN 0.867 nan 8.240 nan 0.000 0.591 150 R N 0.254 120.797 120.500 0.071 0.000 2.515 150 R HA 0.455 4.795 4.340 -0.000 0.000 0.291 150 R C -1.198 175.102 176.300 -0.002 0.000 1.046 150 R CA -0.728 55.348 56.100 -0.040 0.000 0.914 150 R CB 1.466 31.775 30.300 0.014 0.000 1.191 150 R HN 0.796 nan 8.270 nan 0.000 0.435 151 K N 3.689 124.012 120.400 -0.128 0.000 2.183 151 K HA 0.347 4.667 4.320 -0.000 0.000 0.274 151 K C -1.201 175.259 176.600 -0.232 0.000 1.009 151 K CA -0.580 55.480 56.287 -0.378 0.000 0.888 151 K CB 1.554 33.815 32.500 -0.399 0.000 1.078 151 K HN 0.356 nan 8.250 nan 0.000 0.459 152 V N 3.091 122.854 119.914 -0.252 0.000 2.284 152 V HA 0.594 4.714 4.120 -0.000 0.000 0.274 152 V C -0.165 175.842 176.094 -0.145 0.000 1.023 152 V CA -0.404 61.821 62.300 -0.125 0.000 0.808 152 V CB 0.831 32.643 31.823 -0.020 0.000 1.035 152 V HN 0.989 nan 8.190 nan 0.000 0.445 153 G N 2.844 111.564 108.800 -0.133 0.000 2.400 153 G HA2 0.154 4.114 3.960 -0.000 0.000 0.199 153 G HA3 0.154 4.114 3.960 -0.000 0.000 0.199 153 G C 0.104 174.897 174.900 -0.180 0.000 1.383 153 G CA 0.026 45.051 45.100 -0.126 0.000 1.117 153 G HN 0.782 nan 8.290 nan 0.000 0.621 154 S N 0.857 116.407 115.700 -0.251 0.000 2.492 154 S HA 0.185 4.655 4.470 -0.000 0.000 0.218 154 S C 0.771 174.843 174.600 -0.880 0.000 1.016 154 S CA 0.139 58.071 58.200 -0.448 0.000 0.916 154 S CB 0.212 63.274 63.200 -0.230 0.000 0.791 154 S HN 0.640 nan 8.310 nan 0.000 0.513 155 Q N 1.053 120.559 119.800 -0.490 0.000 2.293 155 Q HA 0.190 4.530 4.340 -0.000 0.000 0.263 155 Q C -1.117 174.729 176.000 -0.256 0.000 1.002 155 Q CA -0.003 55.587 55.803 -0.354 0.000 0.910 155 Q CB 0.330 28.994 28.738 -0.124 0.000 1.185 155 Q HN 0.568 nan 8.270 nan 0.000 0.401 156 Y N 1.609 122.029 120.300 0.200 0.000 2.781 156 Y HA 0.260 4.810 4.550 -0.000 0.000 0.326 156 Y C 0.200 176.189 175.900 0.148 0.000 1.019 156 Y CA -0.521 57.761 58.100 0.304 0.000 1.372 156 Y CB 0.136 38.818 38.460 0.370 0.000 1.260 156 Y HN 0.368 nan 8.280 nan 0.000 0.546 157 R N 0.001 120.602 120.500 0.167 0.000 2.571 157 R HA 0.360 4.700 4.340 -0.000 0.000 0.259 157 R C -0.466 175.831 176.300 -0.003 0.000 1.226 157 R CA -1.146 55.006 56.100 0.086 0.000 1.157 157 R CB 0.435 30.752 30.300 0.028 0.000 1.220 157 R HN 0.114 nan 8.270 nan 0.000 0.605 158 L N 1.625 122.779 121.223 -0.114 0.000 2.426 158 L HA 0.009 4.349 4.340 -0.000 0.000 0.271 158 L C 0.246 177.028 176.870 -0.147 0.000 1.169 158 L CA 0.942 55.634 54.840 -0.247 0.000 0.836 158 L CB -0.067 41.669 42.059 -0.539 0.000 1.112 158 L HN 0.804 nan 8.230 nan 0.000 0.465 159 E N -0.120 120.004 120.200 -0.127 0.000 4.086 159 E HA -0.235 4.115 4.350 -0.000 0.000 0.363 159 E C -0.282 176.312 176.600 -0.009 0.000 0.616 159 E CA 1.183 57.545 56.400 -0.064 0.000 1.293 159 E CB -1.053 28.610 29.700 -0.062 0.000 1.747 159 E HN 0.767 nan 8.360 nan 0.000 0.405 160 D N 0.285 120.689 120.400 0.006 0.000 2.371 160 D HA 0.401 5.041 4.640 -0.000 0.000 0.242 160 D C 0.100 176.533 176.300 0.221 0.000 1.218 160 D CA 0.358 54.414 54.000 0.095 0.000 0.945 160 D CB 0.907 41.782 40.800 0.125 0.000 1.137 160 D HN -0.038 nan 8.370 nan 0.000 0.464 161 S N -1.126 114.731 115.700 0.260 0.000 2.651 161 S HA 0.754 5.224 4.470 -0.000 0.000 0.279 161 S C -0.878 173.838 174.600 0.193 0.000 1.148 161 S CA -0.859 57.529 58.200 0.313 0.000 0.837 161 S CB 1.865 65.164 63.200 0.164 0.000 1.138 161 S HN 0.370 nan 8.310 nan 0.000 0.478 162 V N -0.960 118.997 119.914 0.072 0.000 3.114 162 V HA 0.992 5.112 4.120 -0.000 0.000 0.308 162 V C -0.755 175.219 176.094 -0.201 0.000 1.168 162 V CA -0.813 61.397 62.300 -0.151 0.000 1.015 162 V CB 1.447 33.051 31.823 -0.364 0.000 1.050 162 V HN 1.055 nan 8.190 nan 0.000 0.433 163 T N -0.011 114.344 114.554 -0.332 0.000 2.893 163 T HA 0.798 5.148 4.350 -0.000 0.000 0.293 163 T C -1.378 173.011 174.700 -0.519 0.000 1.027 163 T CA -0.487 61.437 62.100 -0.294 0.000 0.988 163 T CB 1.597 70.384 68.868 -0.135 0.000 1.043 163 T HN 0.733 nan 8.240 nan 0.000 0.461 164 Y N 0.357 120.484 120.300 -0.288 0.000 2.429 164 Y HA 0.636 5.186 4.550 -0.000 0.000 0.342 164 Y C 0.161 175.800 175.900 -0.435 0.000 1.004 164 Y CA -0.798 57.157 58.100 -0.241 0.000 1.075 164 Y CB 2.046 40.412 38.460 -0.157 0.000 1.214 164 Y HN 0.822 nan 8.280 nan 0.000 0.455 165 H N 0.087 119.255 119.070 0.163 0.000 2.717 165 H HA 0.561 5.117 4.556 -0.000 0.000 0.366 165 H C -1.118 174.317 175.328 0.178 0.000 1.132 165 H CA -0.736 55.393 56.048 0.135 0.000 1.180 165 H CB 1.330 31.154 29.762 0.104 0.000 1.678 165 H HN 0.664 nan 8.280 nan 0.000 0.537 166 c N 1.708 120.455 118.600 0.246 0.000 2.364 166 c HA 0.447 5.017 4.570 -0.000 0.000 0.356 166 c C 0.598 174.776 174.090 0.147 0.000 1.201 166 c CA -0.607 55.844 56.329 0.203 0.000 2.227 166 c CB 0.876 43.456 42.510 0.117 0.000 2.387 166 c HN 0.891 nan 8.230 nan 0.000 0.546 167 S N 1.163 116.908 115.700 0.075 0.000 2.572 167 S HA 0.086 4.556 4.470 -0.000 0.000 0.267 167 S C 0.335 174.929 174.600 -0.009 0.000 1.361 167 S CA -0.168 57.976 58.200 -0.093 0.000 1.009 167 S CB 0.193 63.305 63.200 -0.146 0.000 0.888 167 S HN 0.611 nan 8.310 nan 0.000 0.553 168 R N 0.594 121.080 120.500 -0.023 0.000 2.537 168 R HA 0.343 4.683 4.340 -0.000 0.000 0.280 168 R C 1.427 177.753 176.300 0.042 0.000 1.058 168 R CA 0.747 56.857 56.100 0.017 0.000 1.057 168 R CB -0.182 30.126 30.300 0.013 0.000 0.973 168 R HN 1.017 nan 8.270 nan 0.000 0.438 169 G N 1.638 110.473 108.800 0.059 0.000 2.175 169 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 169 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 169 G C -0.327 174.615 174.900 0.070 0.000 0.982 169 G CA -0.320 44.830 45.100 0.083 0.000 0.641 169 G HN 0.355 nan 8.290 nan 0.000 0.527 170 L N 1.111 122.364 121.223 0.051 0.000 2.334 170 L HA 0.741 5.081 4.340 -0.000 0.000 0.273 170 L C 0.457 177.345 176.870 0.030 0.000 1.013 170 L CA -0.425 54.434 54.840 0.032 0.000 0.816 170 L CB 2.077 44.157 42.059 0.036 0.000 1.278 170 L HN 0.057 nan 8.230 nan 0.000 0.431 171 T N 2.811 117.370 114.554 0.009 0.000 2.795 171 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 171 T C -0.610 174.091 174.700 0.001 0.000 0.980 171 T CA -0.364 61.742 62.100 0.010 0.000 1.012 171 T CB 1.125 69.994 68.868 0.003 0.000 0.936 171 T HN 0.315 nan 8.240 nan 0.000 0.457 172 L N 4.151 125.379 121.223 0.008 0.000 2.319 172 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 172 L C 0.297 177.150 176.870 -0.029 0.000 1.099 172 L CA -0.099 54.737 54.840 -0.007 0.000 0.828 172 L CB 0.309 42.370 42.059 0.002 0.000 1.150 172 L HN 0.536 nan 8.230 nan 0.000 0.442 173 R N 4.398 124.867 120.500 -0.051 0.000 2.393 173 R HA 0.721 5.061 4.340 -0.000 0.000 0.310 173 R C 0.110 176.358 176.300 -0.088 0.000 0.968 173 R CA 0.304 56.364 56.100 -0.066 0.000 0.867 173 R CB 0.950 31.206 30.300 -0.072 0.000 1.124 173 R HN 0.977 nan 8.270 nan 0.000 0.450 174 G N 1.802 110.551 108.800 -0.085 0.000 2.443 174 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 174 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 174 G C -1.206 173.647 174.900 -0.079 0.000 1.176 174 G CA -0.376 44.668 45.100 -0.093 0.000 1.074 174 G HN 0.603 nan 8.290 nan 0.000 0.577 175 S N 0.651 116.299 115.700 -0.087 0.000 2.541 175 S HA 0.483 4.953 4.470 -0.000 0.000 0.283 175 S C 1.109 175.688 174.600 -0.034 0.000 1.196 175 S CA 0.553 58.723 58.200 -0.050 0.000 1.062 175 S CB 1.641 64.825 63.200 -0.026 0.000 1.009 175 S HN 0.996 nan 8.310 nan 0.000 0.502 176 Q N 2.066 121.863 119.800 -0.006 0.000 2.396 176 Q HA 0.166 4.506 4.340 -0.000 0.000 0.209 176 Q C 0.509 176.535 176.000 0.042 0.000 0.906 176 Q CA 0.464 56.268 55.803 0.003 0.000 0.927 176 Q CB 0.301 29.008 28.738 -0.051 0.000 1.069 176 Q HN 0.564 nan 8.270 nan 0.000 0.523 177 R N 0.066 120.597 120.500 0.052 0.000 2.574 177 R HA 0.548 4.888 4.340 -0.000 0.000 0.288 177 R C -1.419 174.945 176.300 0.106 0.000 1.004 177 R CA -0.697 55.442 56.100 0.065 0.000 0.895 177 R CB 1.406 31.727 30.300 0.035 0.000 1.191 177 R HN 0.087 nan 8.270 nan 0.000 0.444 178 R N 2.227 122.816 120.500 0.149 0.000 2.621 178 R HA 0.392 4.732 4.340 -0.000 0.000 0.292 178 R C -1.094 175.460 176.300 0.423 0.000 0.969 178 R CA -0.950 55.294 56.100 0.240 0.000 0.887 178 R CB 2.729 33.152 30.300 0.204 0.000 1.180 178 R HN 0.559 nan 8.270 nan 0.000 0.450 179 T N 1.213 116.023 114.554 0.425 0.000 2.797 179 T HA 0.121 4.471 4.350 -0.000 0.000 0.279 179 T C -0.336 174.492 174.700 0.212 0.000 0.991 179 T CA -0.451 61.867 62.100 0.364 0.000 0.979 179 T CB 1.394 70.358 68.868 0.159 0.000 0.943 179 T HN 0.621 nan 8.240 nan 0.000 0.444 180 c N 5.282 123.756 118.600 -0.211 0.000 2.663 180 c HA 0.217 4.787 4.570 -0.000 0.000 0.398 180 c C 0.566 174.487 174.090 -0.281 0.000 1.356 180 c CA -0.153 55.715 56.329 -0.768 0.000 1.629 180 c CB -1.696 40.188 42.510 -1.043 0.000 2.402 180 c HN 0.783 nan 8.230 nan 0.000 0.598 181 Q N 3.064 122.752 119.800 -0.186 0.000 2.227 181 Q HA 0.280 4.620 4.340 -0.000 0.000 0.245 181 Q C -0.066 175.944 176.000 0.017 0.000 0.926 181 Q CA -0.317 55.449 55.803 -0.062 0.000 0.895 181 Q CB 1.255 29.981 28.738 -0.020 0.000 1.230 181 Q HN 0.807 nan 8.270 nan 0.000 0.450 182 E N -0.035 120.182 120.200 0.028 0.000 2.502 182 E HA 0.046 4.396 4.350 -0.000 0.000 0.261 182 E C 0.208 176.898 176.600 0.150 0.000 0.974 182 E CA 0.984 57.455 56.400 0.118 0.000 0.936 182 E CB 0.036 29.744 29.700 0.013 0.000 0.926 182 E HN 0.818 nan 8.360 nan 0.000 0.459 183 G N 2.711 111.654 108.800 0.237 0.000 2.131 183 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.223 183 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.223 183 G C 0.564 175.388 174.900 -0.126 0.000 0.990 183 G CA 0.048 45.155 45.100 0.012 0.000 0.671 183 G HN 1.382 nan 8.290 nan 0.000 0.521 184 G N -0.884 107.793 108.800 -0.204 0.000 2.342 184 G HA2 0.380 4.340 3.960 -0.000 0.000 0.267 184 G HA3 0.380 4.340 3.960 -0.000 0.000 0.267 184 G C 0.314 175.101 174.900 -0.188 0.000 0.922 184 G CA 1.289 46.194 45.100 -0.325 0.000 1.342 184 G HN 2.576 nan 8.290 nan 0.000 0.430 185 S N -0.242 115.349 115.700 -0.182 0.000 2.561 185 S HA 0.456 4.926 4.470 -0.000 0.000 0.292 185 S C -0.597 173.941 174.600 -0.102 0.000 1.107 185 S CA -1.053 57.085 58.200 -0.102 0.000 0.969 185 S CB 0.284 63.456 63.200 -0.046 0.000 1.150 185 S HN 0.859 nan 8.310 nan 0.000 0.451 186 W N 3.346 124.659 121.300 0.021 0.000 2.181 186 W HA 0.474 5.134 4.660 -0.000 0.000 0.335 186 W C 1.402 177.934 176.519 0.022 0.000 1.310 186 W CA 0.380 57.746 57.345 0.036 0.000 1.226 186 W CB 0.812 30.293 29.460 0.035 0.000 1.155 186 W HN 0.891 nan 8.180 nan 0.000 0.565 187 S N 2.689 118.557 115.700 0.280 0.000 2.626 187 S HA 0.705 5.175 4.470 -0.000 0.000 0.257 187 S C 0.943 175.628 174.600 0.142 0.000 1.288 187 S CA -0.119 58.177 58.200 0.160 0.000 0.980 187 S CB 0.471 63.747 63.200 0.126 0.000 0.975 187 S HN 1.368 nan 8.310 nan 0.000 0.577 188 G N -0.042 108.802 108.800 0.072 0.000 2.598 188 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.269 188 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.269 188 G C 0.000 174.915 174.900 0.024 0.000 1.289 188 G CA 0.239 45.357 45.100 0.031 0.000 0.926 188 G HN 1.581 nan 8.290 nan 0.000 0.567 189 T N -0.995 113.552 114.554 -0.012 0.000 2.901 189 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 189 T C -0.029 174.612 174.700 -0.098 0.000 1.084 189 T CA 0.569 62.650 62.100 -0.031 0.000 1.008 189 T CB 1.627 70.482 68.868 -0.022 0.000 1.170 189 T HN 0.903 nan 8.240 nan 0.000 0.509 190 E N 2.607 122.733 120.200 -0.123 0.000 2.417 190 E HA 0.204 4.554 4.350 -0.000 0.000 0.261 190 E C -2.125 174.321 176.600 -0.256 0.000 1.000 190 E CA -1.220 55.046 56.400 -0.224 0.000 0.919 190 E CB 0.478 30.068 29.700 -0.183 0.000 0.955 190 E HN 0.277 nan 8.360 nan 0.000 0.455 191 P HA 0.075 nan 4.420 nan 0.000 0.273 191 P C -1.430 175.724 177.300 -0.243 0.000 1.250 191 P CA -0.298 62.593 63.100 -0.349 0.000 0.793 191 P CB 0.850 32.204 31.700 -0.577 0.000 1.011 192 S N -1.524 114.082 115.700 -0.157 0.000 2.590 192 S HA 0.233 4.703 4.470 -0.000 0.000 0.286 192 S C -1.072 173.494 174.600 -0.057 0.000 1.147 192 S CA -0.810 57.331 58.200 -0.098 0.000 0.963 192 S CB -0.463 62.685 63.200 -0.086 0.000 1.124 192 S HN 0.403 nan 8.310 nan 0.000 0.458 193 c N 4.738 123.326 118.600 -0.020 0.000 2.540 193 c HA 0.477 5.047 4.570 -0.000 0.000 0.377 193 c C 0.447 174.518 174.090 -0.032 0.000 1.274 193 c CA -0.220 56.111 56.329 0.003 0.000 1.718 193 c CB -0.736 41.810 42.510 0.060 0.000 2.391 193 c HN 0.752 nan 8.230 nan 0.000 0.565 194 Q N 2.452 122.219 119.800 -0.056 0.000 2.214 194 Q HA 0.417 4.757 4.340 -0.000 0.000 0.251 194 Q C -0.165 175.753 176.000 -0.137 0.000 0.936 194 Q CA -0.206 55.532 55.803 -0.110 0.000 0.894 194 Q CB 1.912 30.596 28.738 -0.091 0.000 1.252 194 Q HN 0.693 nan 8.270 nan 0.000 0.448 195 D N -0.253 119.984 120.400 -0.272 0.000 2.624 195 D HA 0.248 4.888 4.640 -0.000 0.000 0.257 195 D C -0.286 175.841 176.300 -0.289 0.000 1.167 195 D CA -0.378 53.428 54.000 -0.322 0.000 1.086 195 D CB 1.060 41.489 40.800 -0.617 0.000 1.210 195 D HN 0.416 nan 8.370 nan 0.000 0.631 196 S N 0.097 115.662 115.700 -0.226 0.000 2.489 196 S HA 0.366 4.836 4.470 -0.000 0.000 0.237 196 S C -0.075 174.619 174.600 0.157 0.000 1.220 196 S CA -0.614 57.596 58.200 0.016 0.000 1.231 196 S CB -0.939 62.363 63.200 0.170 0.000 0.900 196 S HN 0.469 nan 8.310 nan 0.000 0.492 197 F N -2.975 116.966 119.950 -0.016 0.000 3.457 197 F HA 0.370 4.897 4.527 -0.000 0.000 0.356 197 F C 0.695 176.484 175.800 -0.018 0.000 1.203 197 F CA -0.734 57.283 58.000 0.027 0.000 0.702 197 F CB -0.900 38.059 39.000 -0.070 0.000 1.894 197 F HN 0.172 nan 8.300 nan 0.000 0.451 198 M N 1.016 120.376 119.600 -0.401 0.000 2.236 198 M HA 0.060 4.540 4.480 -0.000 0.000 0.266 198 M C 0.874 176.768 176.300 -0.676 0.000 1.070 198 M CA 1.449 56.426 55.300 -0.538 0.000 1.137 198 M CB -0.474 31.833 32.600 -0.487 0.000 1.378 198 M HN 0.408 nan 8.290 nan 0.000 0.426 199 Y N -0.392 119.908 120.300 -0.000 0.000 3.337 199 Y HA -0.321 4.229 4.550 -0.000 0.000 0.378 199 Y C -1.011 174.922 175.900 0.057 0.000 1.053 199 Y CA -0.309 57.821 58.100 0.050 0.000 1.261 199 Y CB -1.483 37.022 38.460 0.075 0.000 0.948 199 Y HN 0.256 nan 8.280 nan 0.000 0.550 200 D N -0.208 120.492 120.400 0.499 0.000 2.990 200 D HA 0.342 4.982 4.640 -0.000 0.000 0.227 200 D C -0.737 175.771 176.300 0.347 0.000 1.249 200 D CA 0.022 54.228 54.000 0.344 0.000 0.891 200 D CB 1.836 42.797 40.800 0.268 0.000 1.647 200 D HN 0.856 nan 8.370 nan 0.000 0.530 201 T N -0.552 114.170 114.554 0.280 0.000 2.916 201 T HA 0.198 4.548 4.350 -0.000 0.000 0.303 201 T C -1.744 172.998 174.700 0.069 0.000 1.025 201 T CA -1.036 61.159 62.100 0.159 0.000 1.142 201 T CB 1.375 70.324 68.868 0.135 0.000 0.947 201 T HN -0.030 nan 8.240 nan 0.000 0.544 202 P HA -0.204 nan 4.420 nan 0.000 0.216 202 P C 1.717 178.946 177.300 -0.118 0.000 1.154 202 P CA 1.262 64.316 63.100 -0.077 0.000 0.865 202 P CB 0.057 31.695 31.700 -0.102 0.000 0.789 203 Q N 0.021 119.775 119.800 -0.075 0.000 2.020 203 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 203 Q C 2.094 178.070 176.000 -0.040 0.000 0.982 203 Q CA 1.727 57.485 55.803 -0.076 0.000 0.838 203 Q CB -0.415 28.303 28.738 -0.034 0.000 0.899 203 Q HN 0.260 nan 8.270 nan 0.000 0.423 204 E N -0.472 119.738 120.200 0.017 0.000 2.086 204 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 204 E C 2.078 178.724 176.600 0.077 0.000 1.012 204 E CA 1.766 58.205 56.400 0.065 0.000 0.812 204 E CB -0.068 29.693 29.700 0.103 0.000 0.743 204 E HN 0.236 nan 8.360 nan 0.000 0.453 205 V N 1.239 121.175 119.914 0.036 0.000 2.237 205 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 205 V C 2.348 178.333 176.094 -0.182 0.000 1.046 205 V CA 1.974 64.225 62.300 -0.081 0.000 1.007 205 V CB -0.841 30.922 31.823 -0.100 0.000 0.638 205 V HN 0.358 nan 8.190 nan 0.000 0.445 206 A N -0.445 122.243 122.820 -0.221 0.000 1.940 206 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 206 A C 2.159 179.749 177.584 0.011 0.000 1.176 206 A CA 2.184 54.081 52.037 -0.234 0.000 0.631 206 A CB -0.530 18.071 19.000 -0.665 0.000 0.814 206 A HN 0.573 nan 8.150 nan 0.000 0.446 207 E N -0.139 120.060 120.200 -0.002 0.000 2.072 207 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 207 E C 2.020 178.676 176.600 0.093 0.000 0.985 207 E CA 1.480 57.909 56.400 0.048 0.000 0.801 207 E CB -0.338 29.384 29.700 0.037 0.000 0.750 207 E HN 0.502 nan 8.360 nan 0.000 0.452 208 A N -0.570 122.330 122.820 0.133 0.000 1.975 208 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 208 A C 2.030 179.760 177.584 0.244 0.000 1.170 208 A CA 0.748 52.907 52.037 0.203 0.000 0.656 208 A CB -0.685 18.509 19.000 0.323 0.000 0.821 208 A HN 0.422 nan 8.150 nan 0.000 0.449 209 F N 0.675 120.642 119.950 0.030 0.000 2.186 209 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 209 F C 1.681 177.481 175.800 0.001 0.000 1.090 209 F CA 1.519 59.510 58.000 -0.015 0.000 1.307 209 F CB -0.070 38.797 39.000 -0.223 0.000 1.019 209 F HN 0.123 nan 8.300 nan 0.000 0.489 210 L N -0.309 120.926 121.223 0.020 0.000 2.162 210 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 210 L C 2.583 179.415 176.870 -0.063 0.000 1.086 210 L CA 1.014 55.825 54.840 -0.048 0.000 0.778 210 L CB -0.888 41.273 42.059 0.172 0.000 0.928 210 L HN 0.231 nan 8.230 nan 0.000 0.446 211 S N -1.850 113.848 115.700 -0.003 0.000 2.500 211 S HA -0.141 4.329 4.470 -0.000 0.000 0.239 211 S C 1.927 176.507 174.600 -0.034 0.000 0.989 211 S CA 1.230 59.425 58.200 -0.007 0.000 0.951 211 S CB -0.076 63.139 63.200 0.025 0.000 0.759 211 S HN 0.345 nan 8.310 nan 0.000 0.523 212 S N -0.277 115.386 115.700 -0.061 0.000 2.514 212 S HA 0.287 4.757 4.470 -0.000 0.000 0.223 212 S C 1.347 175.901 174.600 -0.076 0.000 1.046 212 S CA 0.016 58.190 58.200 -0.044 0.000 0.914 212 S CB -0.210 62.989 63.200 -0.003 0.000 0.807 212 S HN 0.404 nan 8.310 nan 0.000 0.497 213 L N 2.219 123.301 121.223 -0.234 0.000 2.084 213 L HA 0.144 4.484 4.340 -0.000 0.000 0.202 213 L C 2.635 179.390 176.870 -0.192 0.000 1.074 213 L CA 2.570 57.245 54.840 -0.276 0.000 0.757 213 L CB -1.315 40.386 42.059 -0.596 0.000 0.918 213 L HN 0.506 nan 8.230 nan 0.000 0.444 214 T N -3.087 111.347 114.554 -0.199 0.000 2.699 214 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 214 T C 1.847 176.417 174.700 -0.218 0.000 1.036 214 T CA 1.451 63.391 62.100 -0.267 0.000 1.147 214 T CB -0.638 68.065 68.868 -0.274 0.000 0.862 214 T HN 0.407 nan 8.240 nan 0.000 0.446 215 E N 1.620 121.734 120.200 -0.143 0.000 2.058 215 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 215 E C 1.732 178.274 176.600 -0.098 0.000 0.997 215 E CA 1.607 57.943 56.400 -0.106 0.000 0.801 215 E CB -0.825 28.832 29.700 -0.071 0.000 0.746 215 E HN 0.588 nan 8.360 nan 0.000 0.450 216 T N 0.861 115.363 114.554 -0.085 0.000 3.496 216 T HA 0.132 4.482 4.350 -0.000 0.000 0.253 216 T C 1.459 176.096 174.700 -0.105 0.000 1.134 216 T CA 0.203 62.256 62.100 -0.078 0.000 0.993 216 T CB -0.094 68.754 68.868 -0.032 0.000 1.018 216 T HN 0.183 nan 8.240 nan 0.000 0.571 217 I N -0.660 119.830 120.570 -0.134 0.000 4.398 217 I HA 0.118 4.288 4.170 -0.000 0.000 0.310 217 I C 2.023 178.051 176.117 -0.148 0.000 1.232 217 I CA 0.071 61.280 61.300 -0.153 0.000 1.312 217 I CB 0.383 38.264 38.000 -0.197 0.000 1.347 217 I HN 0.123 nan 8.210 nan 0.000 0.454 218 E N 1.586 121.696 120.200 -0.151 0.000 2.171 218 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 218 E C 2.121 178.686 176.600 -0.059 0.000 0.997 218 E CA 1.473 57.809 56.400 -0.107 0.000 0.810 218 E CB -0.200 29.443 29.700 -0.096 0.000 0.738 218 E HN 0.581 nan 8.360 nan 0.000 0.467 219 G N 0.658 109.423 108.800 -0.059 0.000 2.430 219 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 219 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 219 G C 1.703 176.534 174.900 -0.116 0.000 1.146 219 G CA 0.169 45.251 45.100 -0.030 0.000 0.793 219 G HN 0.112 nan 8.290 nan 0.000 0.537 220 V N 1.413 121.243 119.914 -0.138 0.000 2.568 220 V HA -0.106 4.014 4.120 -0.000 0.000 0.253 220 V C 1.045 177.024 176.094 -0.192 0.000 1.072 220 V CA 1.452 63.650 62.300 -0.170 0.000 1.084 220 V CB -0.359 31.374 31.823 -0.149 0.000 0.676 220 V HN 0.212 nan 8.190 nan 0.000 0.469 221 D N 1.019 121.326 120.400 -0.155 0.000 2.885 221 D HA 0.271 4.911 4.640 -0.000 0.000 0.234 221 D C 0.773 176.935 176.300 -0.231 0.000 1.129 221 D CA 0.399 54.313 54.000 -0.144 0.000 0.991 221 D CB 0.107 40.865 40.800 -0.070 0.000 1.137 221 D HN 0.387 nan 8.370 nan 0.000 0.459 222 A N 1.498 124.037 122.820 -0.468 0.000 3.163 222 A HA 0.244 4.564 4.320 -0.000 0.000 0.283 222 A C 1.092 178.318 177.584 -0.598 0.000 1.412 222 A CA -0.260 51.141 52.037 -1.060 0.000 1.053 222 A CB -0.137 17.855 19.000 -1.681 0.000 1.082 222 A HN 0.429 nan 8.150 nan 0.000 0.639 223 E N -1.603 118.447 120.200 -0.249 0.000 2.714 223 E HA 0.038 4.388 4.350 -0.000 0.000 0.240 223 E C -0.814 175.772 176.600 -0.024 0.000 1.102 223 E CA -0.471 55.865 56.400 -0.106 0.000 1.758 223 E CB -0.014 29.617 29.700 -0.115 0.000 2.849 223 E HN 0.302 nan 8.360 nan 0.000 1.071 240 P HA 0.302 nan 4.420 nan 0.000 0.266 240 P C -0.586 176.717 177.300 0.005 0.000 1.195 240 P CA -0.014 63.085 63.100 -0.002 0.000 0.768 240 P CB 1.184 32.884 31.700 0.001 0.000 0.838 241 S N -0.221 115.477 115.700 -0.004 0.000 3.642 241 S HA 0.840 5.310 4.470 -0.000 0.000 0.312 241 S C -0.038 174.531 174.600 -0.052 0.000 1.117 241 S CA 0.229 58.413 58.200 -0.027 0.000 1.104 241 S CB 1.094 64.278 63.200 -0.027 0.000 1.397 241 S HN 0.882 nan 8.310 nan 0.000 0.756 242 G N -0.133 108.616 108.800 -0.084 0.000 2.579 242 G HA2 0.363 4.323 3.960 -0.000 0.000 0.080 242 G HA3 0.363 4.323 3.960 -0.000 0.000 0.080 242 G C 0.222 175.017 174.900 -0.176 0.000 1.040 242 G CA 0.831 45.849 45.100 -0.137 0.000 1.118 242 G HN 1.559 nan 8.290 nan 0.000 0.485 243 S N -1.412 114.144 115.700 -0.240 0.000 2.596 243 S HA -0.193 4.277 4.470 -0.000 0.000 0.260 243 S C 0.114 174.559 174.600 -0.258 0.000 1.282 243 S CA 2.177 60.226 58.200 -0.252 0.000 1.357 243 S CB -1.195 61.892 63.200 -0.189 0.000 1.674 243 S HN 1.417 nan 8.310 nan 0.000 0.641 244 M N 1.463 120.894 119.600 -0.281 0.000 2.324 244 M HA 0.520 5.000 4.480 -0.000 0.000 0.288 244 M C -1.923 174.138 176.300 -0.397 0.000 1.097 244 M CA -0.525 54.601 55.300 -0.290 0.000 0.928 244 M CB 1.332 33.801 32.600 -0.218 0.000 1.648 244 M HN 0.068 nan 8.290 nan 0.000 0.460 245 N N 4.858 123.268 118.700 -0.485 0.000 2.399 245 N HA 0.629 5.369 4.740 -0.000 0.000 0.295 245 N C -1.430 173.679 175.510 -0.669 0.000 1.048 245 N CA -0.211 52.442 53.050 -0.661 0.000 0.886 245 N CB 1.852 39.842 38.487 -0.828 0.000 1.185 245 N HN 0.622 nan 8.380 nan 0.000 0.487 246 I N 2.735 122.849 120.570 -0.760 0.000 2.448 246 I HA 0.235 4.405 4.170 -0.000 0.000 0.281 246 I C -1.005 174.893 176.117 -0.365 0.000 1.027 246 I CA -0.721 60.288 61.300 -0.484 0.000 1.111 246 I CB 0.618 38.319 38.000 -0.498 0.000 1.236 246 I HN 0.367 nan 8.210 nan 0.000 0.452 247 Y N 6.336 126.693 120.300 0.096 0.000 2.425 247 Y HA 0.411 4.961 4.550 -0.000 0.000 0.347 247 Y C 0.121 176.140 175.900 0.199 0.000 0.976 247 Y CA -0.686 57.507 58.100 0.154 0.000 1.190 247 Y CB 0.551 39.103 38.460 0.153 0.000 1.136 247 Y HN 0.354 nan 8.280 nan 0.000 0.517 248 L N 5.234 126.650 121.223 0.320 0.000 2.282 248 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 248 L C -0.610 176.429 176.870 0.281 0.000 1.075 248 L CA -0.723 54.283 54.840 0.277 0.000 0.839 248 L CB 0.410 42.599 42.059 0.218 0.000 1.219 248 L HN 0.392 nan 8.230 nan 0.000 0.434 249 V N 5.154 125.242 119.914 0.291 0.000 2.304 249 V HA 0.240 4.360 4.120 -0.000 0.000 0.269 249 V C 0.029 176.335 176.094 0.354 0.000 1.036 249 V CA -0.417 62.070 62.300 0.313 0.000 0.840 249 V CB 1.590 33.561 31.823 0.247 0.000 1.036 249 V HN 0.410 nan 8.190 nan 0.000 0.466 250 L N 4.307 125.735 121.223 0.342 0.000 2.289 250 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 250 L C -0.103 176.941 176.870 0.291 0.000 1.049 250 L CA 0.076 55.076 54.840 0.266 0.000 0.804 250 L CB 1.506 43.633 42.059 0.114 0.000 1.195 250 L HN 0.573 nan 8.230 nan 0.000 0.428 251 D N 2.887 123.395 120.400 0.180 0.000 2.316 251 D HA 0.365 5.005 4.640 -0.000 0.000 0.245 251 D C 0.643 176.976 176.300 0.055 0.000 1.171 251 D CA -0.005 53.843 54.000 -0.254 0.000 0.856 251 D CB 1.487 42.209 40.800 -0.131 0.000 1.090 251 D HN 0.694 nan 8.370 nan 0.000 0.476 252 G N 2.509 111.181 108.800 -0.213 0.000 3.605 252 G HA2 0.057 4.017 3.960 -0.000 0.000 0.277 252 G HA3 0.057 4.017 3.960 -0.000 0.000 0.277 252 G C 0.614 175.290 174.900 -0.373 0.000 1.093 252 G CA -0.295 44.650 45.100 -0.260 0.000 0.821 252 G HN 0.471 nan 8.290 nan 0.000 0.532 253 S N -0.593 114.956 115.700 -0.251 0.000 2.576 253 S HA 0.363 4.833 4.470 -0.000 0.000 0.272 253 S C 1.845 176.419 174.600 -0.042 0.000 1.352 253 S CA 0.310 58.415 58.200 -0.158 0.000 1.021 253 S CB 1.032 64.175 63.200 -0.095 0.000 0.887 253 S HN 0.287 nan 8.310 nan 0.000 0.542 254 G N 1.066 109.849 108.800 -0.029 0.000 2.776 254 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.209 254 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.209 254 G C 1.107 176.094 174.900 0.145 0.000 1.145 254 G CA 0.514 45.663 45.100 0.083 0.000 0.791 254 G HN 0.864 nan 8.290 nan 0.000 0.530 255 S N -0.550 115.214 115.700 0.107 0.000 2.605 255 S HA 0.291 4.761 4.470 -0.000 0.000 0.217 255 S C 1.639 176.309 174.600 0.116 0.000 0.958 255 S CA -0.230 58.028 58.200 0.097 0.000 0.919 255 S CB 0.004 63.247 63.200 0.071 0.000 0.780 255 S HN 0.334 nan 8.310 nan 0.000 0.507 256 I N 0.895 121.564 120.570 0.166 0.000 3.616 256 I HA 0.332 4.502 4.170 -0.000 0.000 0.296 256 I C 1.250 177.395 176.117 0.047 0.000 1.226 256 I CA 0.489 61.877 61.300 0.148 0.000 1.394 256 I CB -0.123 38.019 38.000 0.236 0.000 1.171 256 I HN 0.513 nan 8.210 nan 0.000 0.442 257 G N 1.183 109.972 108.800 -0.019 0.000 2.722 257 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 257 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 257 G C 0.574 174.941 174.900 -0.888 0.000 1.282 257 G CA -0.273 44.630 45.100 -0.329 0.000 0.817 257 G HN 0.340 nan 8.290 nan 0.000 0.605 258 A N 0.974 123.144 122.820 -1.084 0.000 2.019 258 A HA 0.168 4.488 4.320 -0.000 0.000 0.219 258 A C 2.765 180.180 177.584 -0.282 0.000 1.164 258 A CA 2.852 54.371 52.037 -0.863 0.000 0.644 258 A CB -0.516 18.249 19.000 -0.391 0.000 0.805 258 A HN 2.054 nan 8.150 nan 0.000 0.449 259 S N -0.057 115.523 115.700 -0.200 0.000 2.345 259 S HA -0.150 4.320 4.470 -0.000 0.000 0.220 259 S C 1.326 175.898 174.600 -0.046 0.000 1.031 259 S CA 1.583 59.731 58.200 -0.085 0.000 0.996 259 S CB -0.394 62.768 63.200 -0.062 0.000 0.882 259 S HN 0.558 nan 8.310 nan 0.000 0.445 260 D N -0.190 120.188 120.400 -0.036 0.000 2.349 260 D HA 0.129 4.769 4.640 -0.000 0.000 0.224 260 D C 0.977 177.308 176.300 0.053 0.000 1.029 260 D CA 0.164 54.169 54.000 0.008 0.000 0.879 260 D CB -0.060 40.758 40.800 0.031 0.000 0.906 260 D HN 0.479 nan 8.370 nan 0.000 0.528 261 F N 0.924 120.811 119.950 -0.105 0.000 2.315 261 F HA -0.081 4.446 4.527 -0.000 0.000 0.284 261 F C 2.451 178.239 175.800 -0.021 0.000 1.049 261 F CA 1.326 59.308 58.000 -0.030 0.000 1.323 261 F CB -0.416 38.593 39.000 0.016 0.000 1.113 261 F HN -0.075 nan 8.300 nan 0.000 0.544 262 T N -1.939 112.677 114.554 0.103 0.000 2.833 262 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 262 T C 2.221 176.859 174.700 -0.102 0.000 1.054 262 T CA 1.173 63.272 62.100 -0.002 0.000 1.135 262 T CB -1.461 67.443 68.868 0.060 0.000 0.869 262 T HN 0.312 nan 8.240 nan 0.000 0.466 263 G N 0.835 109.585 108.800 -0.083 0.000 2.443 263 G HA2 0.166 4.126 3.960 -0.000 0.000 0.219 263 G HA3 0.166 4.126 3.960 -0.000 0.000 0.219 263 G C 1.774 176.593 174.900 -0.136 0.000 1.131 263 G CA 0.597 45.642 45.100 -0.092 0.000 0.775 263 G HN 0.746 nan 8.290 nan 0.000 0.547 264 A N 0.663 123.368 122.820 -0.192 0.000 1.970 264 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 264 A C 2.278 179.698 177.584 -0.274 0.000 1.170 264 A CA 1.473 53.369 52.037 -0.235 0.000 0.645 264 A CB -0.133 18.719 19.000 -0.245 0.000 0.816 264 A HN 0.359 nan 8.150 nan 0.000 0.447 265 K N 0.297 120.505 120.400 -0.319 0.000 2.007 265 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 265 K C 1.908 178.396 176.600 -0.186 0.000 1.047 265 K CA 1.451 57.575 56.287 -0.270 0.000 0.937 265 K CB -0.222 32.114 32.500 -0.272 0.000 0.718 265 K HN 0.350 nan 8.250 nan 0.000 0.438 266 K N 0.731 121.041 120.400 -0.150 0.000 2.113 266 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 266 K C 2.406 178.948 176.600 -0.097 0.000 1.047 266 K CA 1.431 57.653 56.287 -0.108 0.000 0.928 266 K CB -0.447 32.001 32.500 -0.086 0.000 0.716 266 K HN 0.236 nan 8.250 nan 0.000 0.446 267 C N 1.219 120.452 119.300 -0.112 0.000 2.429 267 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 267 C C 2.448 177.318 174.990 -0.201 0.000 1.262 267 C CA 0.514 59.481 59.018 -0.084 0.000 1.733 267 C CB -0.910 26.755 27.740 -0.126 0.000 2.010 267 C HN 0.403 nan 8.230 nan 0.000 0.483 268 L N 0.306 121.392 121.223 -0.229 0.000 2.093 268 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 268 L C 2.654 179.402 176.870 -0.204 0.000 1.085 268 L CA 1.236 55.934 54.840 -0.236 0.000 0.755 268 L CB -0.636 41.317 42.059 -0.177 0.000 0.904 268 L HN 0.242 nan 8.230 nan 0.000 0.435 269 V N 0.319 120.135 119.914 -0.163 0.000 2.255 269 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 269 V C 2.107 178.127 176.094 -0.123 0.000 1.051 269 V CA 2.211 64.431 62.300 -0.133 0.000 1.018 269 V CB -0.733 31.029 31.823 -0.102 0.000 0.641 269 V HN 0.504 nan 8.190 nan 0.000 0.445 270 N N -0.006 118.634 118.700 -0.101 0.000 2.289 270 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 270 N C 1.478 176.874 175.510 -0.190 0.000 1.016 270 N CA 0.912 53.929 53.050 -0.055 0.000 0.872 270 N CB -0.502 38.035 38.487 0.084 0.000 0.973 270 N HN 0.413 nan 8.380 nan 0.000 0.433 271 L N 0.831 121.818 121.223 -0.393 0.000 2.056 271 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 271 L C 1.721 178.469 176.870 -0.203 0.000 1.078 271 L CA 1.297 55.824 54.840 -0.523 0.000 0.749 271 L CB -0.405 41.275 42.059 -0.632 0.000 0.901 271 L HN 0.110 nan 8.230 nan 0.000 0.433 272 I N -0.528 119.954 120.570 -0.146 0.000 2.286 272 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 272 I C 2.452 178.529 176.117 -0.066 0.000 1.115 272 I CA 1.452 62.700 61.300 -0.086 0.000 1.392 272 I CB -0.320 37.546 38.000 -0.224 0.000 1.065 272 I HN 0.360 nan 8.210 nan 0.000 0.418 273 E N 1.597 121.744 120.200 -0.087 0.000 2.072 273 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 273 E C 2.041 178.585 176.600 -0.094 0.000 0.985 273 E CA 1.393 57.751 56.400 -0.071 0.000 0.801 273 E CB -0.009 29.663 29.700 -0.047 0.000 0.750 273 E HN 0.125 nan 8.360 nan 0.000 0.452 274 K N 0.048 120.383 120.400 -0.108 0.000 2.032 274 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 274 K C 1.920 178.413 176.600 -0.178 0.000 1.048 274 K CA 1.806 58.006 56.287 -0.145 0.000 0.927 274 K CB -0.748 31.703 32.500 -0.081 0.000 0.712 274 K HN 0.130 nan 8.250 nan 0.000 0.441 275 V N 1.039 120.943 119.914 -0.016 0.000 2.343 275 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 275 V C 2.400 178.551 176.094 0.094 0.000 1.051 275 V CA 1.969 64.354 62.300 0.142 0.000 1.036 275 V CB -1.027 30.899 31.823 0.171 0.000 0.654 275 V HN 0.503 nan 8.190 nan 0.000 0.451 276 A N 0.815 123.649 122.820 0.023 0.000 1.972 276 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 276 A C 2.489 180.051 177.584 -0.038 0.000 1.169 276 A CA 2.081 54.127 52.037 0.015 0.000 0.635 276 A CB -0.710 18.288 19.000 -0.004 0.000 0.810 276 A HN 0.712 nan 8.150 nan 0.000 0.446 277 S N -1.607 114.002 115.700 -0.152 0.000 2.474 277 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 277 S C 1.463 175.939 174.600 -0.206 0.000 0.997 277 S CA 1.038 59.110 58.200 -0.215 0.000 0.949 277 S CB -0.717 62.292 63.200 -0.319 0.000 0.766 277 S HN 0.557 nan 8.310 nan 0.000 0.517 278 Y N 1.936 122.233 120.300 -0.005 0.000 2.546 278 Y HA 0.360 4.910 4.550 -0.000 0.000 0.287 278 Y C 1.995 177.893 175.900 -0.003 0.000 1.158 278 Y CA -0.582 57.515 58.100 -0.006 0.000 1.307 278 Y CB -0.703 37.751 38.460 -0.010 0.000 1.036 278 Y HN 0.419 nan 8.280 nan 0.000 0.532 279 G N 0.311 109.177 108.800 0.110 0.000 2.160 279 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 279 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 279 G C -0.386 174.556 174.900 0.070 0.000 1.022 279 G CA 0.247 45.390 45.100 0.071 0.000 0.741 279 G HN 0.147 nan 8.290 nan 0.000 0.508 280 V N -0.173 119.795 119.914 0.090 0.000 2.513 280 V HA 0.572 4.692 4.120 -0.000 0.000 0.299 280 V C 0.293 176.421 176.094 0.057 0.000 1.035 280 V CA -0.750 61.584 62.300 0.057 0.000 0.889 280 V CB 1.913 33.765 31.823 0.048 0.000 0.988 280 V HN 0.272 nan 8.190 nan 0.000 0.440 281 K N 5.339 125.757 120.400 0.030 0.000 2.478 281 K HA 0.439 4.759 4.320 -0.000 0.000 0.236 281 K C -2.777 173.823 176.600 -0.000 0.000 1.021 281 K CA -1.476 54.840 56.287 0.049 0.000 1.010 281 K CB 1.513 34.039 32.500 0.045 0.000 1.331 281 K HN 0.419 nan 8.250 nan 0.000 0.470 282 P HA 0.240 nan 4.420 nan 0.000 0.278 282 P C -0.800 176.383 177.300 -0.195 0.000 1.258 282 P CA -0.769 62.212 63.100 -0.199 0.000 0.811 282 P CB 0.763 32.233 31.700 -0.383 0.000 1.063 283 R N 0.997 121.329 120.500 -0.280 0.000 2.265 283 R HA 0.388 4.728 4.340 -0.000 0.000 0.314 283 R C -0.510 175.596 176.300 -0.322 0.000 1.053 283 R CA -0.190 55.796 56.100 -0.190 0.000 0.931 283 R CB 0.171 30.370 30.300 -0.168 0.000 1.024 283 R HN 0.500 nan 8.270 nan 0.000 0.457 284 Y N -0.138 120.099 120.300 -0.105 0.000 2.419 284 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 284 Y C 0.977 176.846 175.900 -0.051 0.000 1.162 284 Y CA -0.534 57.511 58.100 -0.093 0.000 1.174 284 Y CB 2.273 40.717 38.460 -0.028 0.000 1.228 284 Y HN 0.667 nan 8.280 nan 0.000 0.473 285 G N 2.563 111.453 108.800 0.149 0.000 2.760 285 G HA2 0.484 4.444 3.960 -0.000 0.000 0.285 285 G HA3 0.484 4.444 3.960 -0.000 0.000 0.285 285 G C -2.299 172.767 174.900 0.278 0.000 1.496 285 G CA -0.451 44.779 45.100 0.218 0.000 1.026 285 G HN 0.422 nan 8.290 nan 0.000 0.536 286 L N 3.364 124.753 121.223 0.276 0.000 2.272 286 L HA 0.796 5.136 4.340 -0.000 0.000 0.289 286 L C -0.743 176.368 176.870 0.402 0.000 1.032 286 L CA -0.740 54.277 54.840 0.296 0.000 0.810 286 L CB 1.708 43.912 42.059 0.243 0.000 1.205 286 L HN 0.254 nan 8.230 nan 0.000 0.422 287 V N 3.474 123.625 119.914 0.395 0.000 2.612 287 V HA 0.514 4.634 4.120 -0.000 0.000 0.301 287 V C -0.274 176.104 176.094 0.474 0.000 1.059 287 V CA -0.483 62.093 62.300 0.460 0.000 0.886 287 V CB 2.225 34.253 31.823 0.340 0.000 1.007 287 V HN 0.843 nan 8.190 nan 0.000 0.426 288 T N 2.080 116.995 114.554 0.601 0.000 2.824 288 T HA 0.823 5.173 4.350 -0.000 0.000 0.280 288 T C -0.858 174.072 174.700 0.384 0.000 0.995 288 T CA -0.573 61.833 62.100 0.509 0.000 1.009 288 T CB 1.563 70.804 68.868 0.621 0.000 0.955 288 T HN 0.839 nan 8.240 nan 0.000 0.452 289 Y N 0.845 121.153 120.300 0.013 0.000 2.545 289 Y HA 0.913 5.463 4.550 -0.000 0.000 0.348 289 Y C -0.216 175.492 175.900 -0.321 0.000 1.002 289 Y CA -1.187 56.844 58.100 -0.114 0.000 1.039 289 Y CB 1.239 39.717 38.460 0.030 0.000 1.271 289 Y HN 0.957 nan 8.280 nan 0.000 0.467 290 A N 1.326 123.988 122.820 -0.264 0.000 2.770 290 A HA 0.336 4.656 4.320 -0.000 0.000 0.183 290 A C 1.110 178.690 177.584 -0.008 0.000 1.077 290 A CA 0.269 52.172 52.037 -0.224 0.000 1.468 290 A CB -0.315 18.547 19.000 -0.230 0.000 2.037 290 A HN 0.730 nan 8.150 nan 0.000 0.730 291 T N -0.000 114.542 114.554 -0.019 0.000 2.833 291 T HA 0.081 4.431 4.350 -0.000 0.000 0.269 291 T C -0.151 174.296 174.700 -0.421 0.000 1.054 291 T CA 1.742 63.718 62.100 -0.206 0.000 1.135 291 T CB -0.466 68.269 68.868 -0.221 0.000 0.869 291 T HN 0.375 nan 8.240 nan 0.000 0.466 292 Y N -0.330 120.047 120.300 0.129 0.000 2.576 292 Y HA 0.472 5.022 4.550 -0.000 0.000 0.346 292 Y C -2.743 173.264 175.900 0.179 0.000 1.018 292 Y CA -3.195 54.983 58.100 0.131 0.000 1.050 292 Y CB 1.342 39.867 38.460 0.108 0.000 1.280 292 Y HN -0.205 nan 8.280 nan 0.000 0.474 293 P HA 0.256 nan 4.420 nan 0.000 0.284 293 P C -1.243 176.217 177.300 0.267 0.000 1.253 293 P CA -0.657 62.612 63.100 0.281 0.000 0.800 293 P CB 0.982 32.795 31.700 0.188 0.000 0.961 294 K N 3.430 124.011 120.400 0.301 0.000 2.535 294 K HA 0.435 4.755 4.320 -0.000 0.000 0.253 294 K C -1.182 175.487 176.600 0.116 0.000 0.953 294 K CA -0.320 56.069 56.287 0.169 0.000 0.863 294 K CB 0.095 32.750 32.500 0.258 0.000 1.111 294 K HN 0.331 nan 8.250 nan 0.000 0.431 295 I N 5.543 126.107 120.570 -0.010 0.000 2.325 295 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 295 I C -0.011 176.070 176.117 -0.061 0.000 1.019 295 I CA -0.431 60.908 61.300 0.066 0.000 1.302 295 I CB 0.813 38.858 38.000 0.074 0.000 1.401 295 I HN 0.771 nan 8.210 nan 0.000 0.485 296 W N 4.811 126.188 121.300 0.128 0.000 2.735 296 W HA 0.247 4.907 4.660 -0.000 0.000 0.264 296 W C 0.101 176.658 176.519 0.063 0.000 1.233 296 W CA 0.146 57.559 57.345 0.113 0.000 1.408 296 W CB 0.237 29.783 29.460 0.143 0.000 1.038 296 W HN 0.116 nan 8.180 nan 0.000 0.603 297 V N 1.100 121.186 119.914 0.286 0.000 2.733 297 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 297 V C -0.567 175.610 176.094 0.137 0.000 1.084 297 V CA -1.526 60.852 62.300 0.130 0.000 0.905 297 V CB 2.105 33.998 31.823 0.117 0.000 1.010 297 V HN -0.212 nan 8.190 nan 0.000 0.424 298 K N 2.233 122.682 120.400 0.083 0.000 2.221 298 K HA 0.520 4.840 4.320 -0.000 0.000 0.258 298 K C 0.921 177.598 176.600 0.128 0.000 0.944 298 K CA -0.551 55.814 56.287 0.131 0.000 0.823 298 K CB 2.150 34.720 32.500 0.117 0.000 1.113 298 K HN 0.556 nan 8.250 nan 0.000 0.431 299 V N 0.296 120.320 119.914 0.185 0.000 2.720 299 V HA -0.194 3.926 4.120 -0.000 0.000 0.256 299 V C 1.543 177.758 176.094 0.201 0.000 1.082 299 V CA 1.994 64.390 62.300 0.160 0.000 1.101 299 V CB -0.756 31.177 31.823 0.183 0.000 0.693 299 V HN 0.761 nan 8.190 nan 0.000 0.479 300 S N -0.559 115.296 115.700 0.258 0.000 2.522 300 S HA 0.045 4.515 4.470 -0.000 0.000 0.227 300 S C 0.753 175.433 174.600 0.133 0.000 0.986 300 S CA -0.030 58.326 58.200 0.260 0.000 0.929 300 S CB -0.638 62.832 63.200 0.451 0.000 0.769 300 S HN 0.792 nan 8.310 nan 0.000 0.529 301 E N 0.916 121.164 120.200 0.079 0.000 2.418 301 E HA 0.335 4.685 4.350 -0.000 0.000 0.261 301 E C 0.841 177.430 176.600 -0.018 0.000 1.070 301 E CA 0.155 56.554 56.400 -0.001 0.000 0.931 301 E CB 0.443 30.089 29.700 -0.090 0.000 0.954 301 E HN 0.408 nan 8.360 nan 0.000 0.439 302 A N 2.785 125.587 122.820 -0.030 0.000 2.239 302 A HA -0.090 4.230 4.320 -0.000 0.000 0.209 302 A C 0.613 178.180 177.584 -0.028 0.000 1.171 302 A CA 0.790 52.819 52.037 -0.012 0.000 0.768 302 A CB 0.114 19.119 19.000 0.008 0.000 0.790 302 A HN 0.456 nan 8.150 nan 0.000 0.478 303 D N -1.179 119.151 120.400 -0.118 0.000 2.503 303 D HA 0.032 4.672 4.640 -0.000 0.000 0.218 303 D C 1.821 178.031 176.300 -0.150 0.000 1.183 303 D CA 0.867 54.763 54.000 -0.173 0.000 0.827 303 D CB 0.248 40.711 40.800 -0.562 0.000 1.034 303 D HN 0.500 nan 8.370 nan 0.000 0.510 304 S N 0.368 116.022 115.700 -0.078 0.000 2.399 304 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 304 S C 1.964 176.631 174.600 0.110 0.000 1.022 304 S CA 1.403 59.608 58.200 0.009 0.000 0.983 304 S CB -0.340 62.877 63.200 0.028 0.000 0.803 304 S HN 0.157 nan 8.310 nan 0.000 0.480 305 S N 1.214 116.962 115.700 0.081 0.000 2.562 305 S HA 0.129 4.599 4.470 -0.000 0.000 0.221 305 S C 0.655 175.338 174.600 0.139 0.000 0.975 305 S CA -0.152 58.115 58.200 0.112 0.000 0.918 305 S CB -0.693 62.536 63.200 0.048 0.000 0.772 305 S HN 0.495 nan 8.310 nan 0.000 0.531 306 N N 2.017 120.799 118.700 0.136 0.000 2.415 306 N HA 0.393 5.133 4.740 -0.000 0.000 0.250 306 N C 1.047 176.642 175.510 0.141 0.000 1.127 306 N CA 0.402 53.550 53.050 0.163 0.000 0.945 306 N CB 1.018 39.661 38.487 0.261 0.000 1.196 306 N HN 0.261 nan 8.380 nan 0.000 0.499 307 A N 3.511 126.374 122.820 0.072 0.000 1.883 307 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 307 A C 1.803 179.367 177.584 -0.033 0.000 1.186 307 A CA 1.819 53.828 52.037 -0.046 0.000 0.624 307 A CB -0.547 18.436 19.000 -0.030 0.000 0.822 307 A HN 0.706 nan 8.150 nan 0.000 0.444 308 D N -1.873 118.541 120.400 0.023 0.000 2.117 308 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 308 D C 1.667 177.996 176.300 0.049 0.000 0.987 308 D CA 1.288 55.291 54.000 0.005 0.000 0.829 308 D CB -0.323 40.470 40.800 -0.011 0.000 0.961 308 D HN 0.646 nan 8.370 nan 0.000 0.460 309 W N 0.242 121.519 121.300 -0.038 0.000 2.315 309 W HA -0.273 4.387 4.660 -0.000 0.000 0.323 309 W C 2.479 178.978 176.519 -0.034 0.000 1.233 309 W CA 1.570 58.906 57.345 -0.015 0.000 1.267 309 W CB -0.375 29.092 29.460 0.012 0.000 1.160 309 W HN -0.165 nan 8.180 nan 0.000 0.474 310 V N -0.055 120.054 119.914 0.326 0.000 2.453 310 V HA -0.366 3.754 4.120 -0.000 0.000 0.252 310 V C 1.971 178.087 176.094 0.038 0.000 1.068 310 V CA 2.338 64.713 62.300 0.124 0.000 1.070 310 V CB -1.494 30.231 31.823 -0.164 0.000 0.664 310 V HN 0.268 nan 8.190 nan 0.000 0.461 311 T N -0.623 113.920 114.554 -0.020 0.000 2.821 311 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 311 T C 1.925 176.602 174.700 -0.037 0.000 1.046 311 T CA 1.218 63.280 62.100 -0.063 0.000 1.139 311 T CB -0.179 68.640 68.868 -0.082 0.000 0.871 311 T HN 0.496 nan 8.240 nan 0.000 0.454 312 K N 0.743 121.134 120.400 -0.015 0.000 2.097 312 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 312 K C 2.632 179.236 176.600 0.006 0.000 1.049 312 K CA 0.909 57.166 56.287 -0.049 0.000 0.933 312 K CB -0.043 32.358 32.500 -0.165 0.000 0.717 312 K HN 0.236 nan 8.250 nan 0.000 0.442 313 Q N 0.673 120.543 119.800 0.116 0.000 2.046 313 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 313 Q C 2.147 178.081 176.000 -0.109 0.000 0.975 313 Q CA 0.977 56.849 55.803 0.117 0.000 0.836 313 Q CB -0.448 28.459 28.738 0.282 0.000 0.896 313 Q HN 0.189 nan 8.270 nan 0.000 0.428 314 L N 1.736 122.899 121.223 -0.100 0.000 2.349 314 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 314 L C 1.327 178.101 176.870 -0.160 0.000 1.130 314 L CA 1.398 56.138 54.840 -0.167 0.000 0.791 314 L CB -0.371 41.610 42.059 -0.131 0.000 0.918 314 L HN 0.162 nan 8.230 nan 0.000 0.444 315 N N -1.056 117.574 118.700 -0.116 0.000 2.402 315 N HA -0.040 4.700 4.740 -0.000 0.000 0.174 315 N C 1.583 177.046 175.510 -0.079 0.000 1.027 315 N CA 0.724 53.722 53.050 -0.087 0.000 0.891 315 N CB 0.042 38.491 38.487 -0.063 0.000 1.016 315 N HN 0.440 nan 8.380 nan 0.000 0.439 316 E N 1.006 121.152 120.200 -0.090 0.000 2.152 316 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 316 E C 0.852 177.383 176.600 -0.116 0.000 0.983 316 E CA 0.107 56.479 56.400 -0.047 0.000 0.818 316 E CB 0.038 29.767 29.700 0.050 0.000 0.758 316 E HN 0.467 nan 8.360 nan 0.000 0.467 317 I N 0.049 120.397 120.570 -0.371 0.000 2.754 317 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 317 I C -0.082 176.025 176.117 -0.017 0.000 1.166 317 I CA -0.294 60.746 61.300 -0.433 0.000 1.417 317 I CB 0.521 38.075 38.000 -0.744 0.000 1.382 317 I HN -0.172 nan 8.210 nan 0.000 0.588 318 N N 2.577 121.353 118.700 0.127 0.000 2.525 318 N HA 0.229 4.969 4.740 -0.000 0.000 0.270 318 N C -0.209 175.385 175.510 0.139 0.000 1.321 318 N CA -0.750 52.420 53.050 0.200 0.000 0.797 318 N CB 1.118 39.680 38.487 0.125 0.000 1.529 318 N HN 0.654 nan 8.380 nan 0.000 0.491 319 Y N 0.644 120.891 120.300 -0.088 0.000 2.509 319 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 319 Y C 1.000 176.765 175.900 -0.224 0.000 1.133 319 Y CA 1.401 59.213 58.100 -0.480 0.000 1.283 319 Y CB 0.409 38.631 38.460 -0.397 0.000 1.001 319 Y HN 0.570 nan 8.280 nan 0.000 0.555 320 E N -0.216 119.943 120.200 -0.069 0.000 2.481 320 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 320 E C 1.080 177.609 176.600 -0.118 0.000 1.047 320 E CA 0.598 56.946 56.400 -0.087 0.000 0.867 320 E CB -0.079 29.624 29.700 0.004 0.000 0.858 320 E HN 0.601 nan 8.360 nan 0.000 0.513 321 D N 0.305 120.636 120.400 -0.115 0.000 2.178 321 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 321 D C 0.612 176.680 176.300 -0.388 0.000 0.980 321 D CA 1.066 54.968 54.000 -0.163 0.000 0.842 321 D CB -0.019 40.767 40.800 -0.024 0.000 0.948 321 D HN 0.335 nan 8.370 nan 0.000 0.472 322 H N -0.488 118.478 119.070 -0.173 0.000 2.500 322 H HA 0.231 4.787 4.556 -0.000 0.000 0.243 322 H C 1.029 176.218 175.328 -0.232 0.000 1.318 322 H CA -0.093 55.855 56.048 -0.165 0.000 1.077 322 H CB 0.815 30.470 29.762 -0.178 0.000 1.748 322 H HN 0.079 nan 8.280 nan 0.000 0.556 323 K N 0.543 120.871 120.400 -0.120 0.000 2.244 323 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 323 K C 1.726 178.299 176.600 -0.044 0.000 1.052 323 K CA 0.101 56.322 56.287 -0.111 0.000 0.980 323 K CB 0.471 32.913 32.500 -0.097 0.000 0.838 323 K HN 0.099 nan 8.250 nan 0.000 0.481 324 L N 1.569 122.776 121.223 -0.026 0.000 2.093 324 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 324 L C -0.103 176.783 176.870 0.026 0.000 1.085 324 L CA 1.785 56.625 54.840 -0.001 0.000 0.755 324 L CB 0.082 42.141 42.059 -0.001 0.000 0.904 324 L HN -0.042 nan 8.230 nan 0.000 0.435 325 K N -0.618 119.813 120.400 0.052 0.000 2.679 325 K HA 0.240 4.560 4.320 -0.000 0.000 0.188 325 K C 0.290 176.927 176.600 0.061 0.000 1.055 325 K CA 0.321 56.659 56.287 0.085 0.000 1.006 325 K CB 0.658 33.270 32.500 0.187 0.000 1.317 325 K HN 0.129 nan 8.250 nan 0.000 0.584 326 S N -0.299 115.406 115.700 0.009 0.000 2.994 326 S HA 0.135 4.605 4.470 -0.000 0.000 0.247 326 S C 0.756 175.338 174.600 -0.029 0.000 1.323 326 S CA -0.709 57.473 58.200 -0.030 0.000 1.246 326 S CB 0.037 63.208 63.200 -0.050 0.000 0.994 326 S HN 0.475 nan 8.310 nan 0.000 0.484 327 G N 0.556 109.341 108.800 -0.025 0.000 2.621 327 G HA2 0.461 4.421 3.960 -0.000 0.000 0.271 327 G HA3 0.461 4.421 3.960 -0.000 0.000 0.271 327 G C -0.219 174.670 174.900 -0.020 0.000 1.236 327 G CA -0.658 44.425 45.100 -0.029 0.000 0.958 327 G HN 0.407 nan 8.290 nan 0.000 0.512 328 T N 0.498 115.069 114.554 0.029 0.000 3.630 328 T HA 0.137 4.487 4.350 -0.000 0.000 0.238 328 T C 0.181 175.000 174.700 0.197 0.000 1.195 328 T CA -0.567 61.596 62.100 0.104 0.000 1.433 328 T CB -0.086 68.847 68.868 0.109 0.000 0.940 328 T HN 0.428 nan 8.240 nan 0.000 0.641 329 N N 1.627 120.430 118.700 0.172 0.000 2.807 329 N HA 0.112 4.852 4.740 -0.000 0.000 0.259 329 N C 1.114 176.695 175.510 0.119 0.000 1.149 329 N CA -0.067 53.050 53.050 0.112 0.000 1.042 329 N CB 0.554 39.039 38.487 -0.003 0.000 1.367 329 N HN 0.149 nan 8.380 nan 0.000 0.516 330 T N 1.596 116.198 114.554 0.081 0.000 2.867 330 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 330 T C 1.686 176.221 174.700 -0.274 0.000 1.057 330 T CA 0.926 62.887 62.100 -0.232 0.000 1.136 330 T CB 0.170 68.987 68.868 -0.084 0.000 0.874 330 T HN 0.515 nan 8.240 nan 0.000 0.466 331 K N 1.358 121.655 120.400 -0.173 0.000 2.020 331 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 331 K C 2.172 178.692 176.600 -0.133 0.000 1.050 331 K CA 1.491 57.683 56.287 -0.157 0.000 0.929 331 K CB -0.065 32.359 32.500 -0.128 0.000 0.714 331 K HN 0.202 nan 8.250 nan 0.000 0.443 332 K N -0.134 120.208 120.400 -0.096 0.000 2.147 332 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 332 K C 2.101 178.665 176.600 -0.060 0.000 1.049 332 K CA 1.014 57.270 56.287 -0.051 0.000 0.936 332 K CB -0.095 32.407 32.500 0.003 0.000 0.722 332 K HN 0.251 nan 8.250 nan 0.000 0.446 333 A N 1.398 124.121 122.820 -0.162 0.000 1.902 333 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 333 A C 2.041 179.542 177.584 -0.139 0.000 1.181 333 A CA 1.224 53.129 52.037 -0.220 0.000 0.623 333 A CB -0.528 17.995 19.000 -0.795 0.000 0.818 333 A HN 0.168 nan 8.150 nan 0.000 0.443 334 L N -0.921 120.205 121.223 -0.162 0.000 2.291 334 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 334 L C 2.679 179.530 176.870 -0.032 0.000 1.120 334 L CA 0.872 55.659 54.840 -0.088 0.000 0.799 334 L CB -0.441 41.558 42.059 -0.099 0.000 0.925 334 L HN 0.502 nan 8.230 nan 0.000 0.446 335 Q N -0.210 119.564 119.800 -0.044 0.000 2.230 335 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 335 Q C 2.454 178.489 176.000 0.058 0.000 0.963 335 Q CA 1.247 57.044 55.803 -0.011 0.000 0.866 335 Q CB -0.108 28.598 28.738 -0.054 0.000 0.931 335 Q HN 0.542 nan 8.270 nan 0.000 0.452 336 A N 0.385 123.230 122.820 0.042 0.000 1.898 336 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 336 A C 2.285 179.912 177.584 0.070 0.000 1.181 336 A CA 1.236 53.314 52.037 0.067 0.000 0.620 336 A CB -0.602 18.451 19.000 0.088 0.000 0.819 336 A HN 0.206 nan 8.150 nan 0.000 0.442 337 V N -1.400 118.537 119.914 0.039 0.000 2.407 337 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 337 V C 2.316 178.360 176.094 -0.083 0.000 1.055 337 V CA 1.981 64.246 62.300 -0.059 0.000 1.049 337 V CB -1.084 30.638 31.823 -0.168 0.000 0.662 337 V HN 0.706 nan 8.190 nan 0.000 0.455 338 Y N 2.245 122.477 120.300 -0.113 0.000 2.145 338 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 338 Y C 2.821 178.681 175.900 -0.068 0.000 1.145 338 Y CA 1.968 60.014 58.100 -0.089 0.000 1.148 338 Y CB -0.279 38.135 38.460 -0.077 0.000 0.981 338 Y HN 0.383 nan 8.280 nan 0.000 0.507 339 S N -0.471 115.269 115.700 0.067 0.000 2.474 339 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 339 S C 1.824 176.338 174.600 -0.142 0.000 0.997 339 S CA 1.342 59.509 58.200 -0.056 0.000 0.949 339 S CB -0.603 62.594 63.200 -0.004 0.000 0.766 339 S HN 0.578 nan 8.310 nan 0.000 0.517 340 M N 1.196 120.778 119.600 -0.031 0.000 2.349 340 M HA 0.172 4.652 4.480 -0.000 0.000 0.266 340 M C 2.106 178.521 176.300 0.191 0.000 1.076 340 M CA 1.128 56.489 55.300 0.101 0.000 1.126 340 M CB -0.433 32.319 32.600 0.253 0.000 1.392 340 M HN 0.519 nan 8.290 nan 0.000 0.440 341 M N -2.152 117.508 119.600 0.099 0.000 2.431 341 M HA 0.290 4.770 4.480 -0.000 0.000 0.237 341 M C -0.193 176.128 176.300 0.035 0.000 1.130 341 M CA 0.026 55.493 55.300 0.278 0.000 1.002 341 M CB 0.105 32.899 32.600 0.323 0.000 1.524 341 M HN -0.212 nan 8.290 nan 0.000 0.482 342 S N 0.670 116.224 115.700 -0.243 0.000 2.508 342 S HA 0.588 5.058 4.470 -0.000 0.000 0.284 342 S C -1.547 172.754 174.600 -0.498 0.000 1.192 342 S CA -0.425 57.570 58.200 -0.343 0.000 1.070 342 S CB 0.691 63.635 63.200 -0.425 0.000 1.004 342 S HN 0.542 nan 8.310 nan 0.000 0.493 343 W N 1.497 122.664 121.300 -0.222 0.000 3.624 343 W HA 0.418 5.078 4.660 -0.000 0.000 0.312 343 W C -2.252 174.161 176.519 -0.176 0.000 1.203 343 W CA -1.083 56.121 57.345 -0.235 0.000 1.225 343 W CB 0.291 29.509 29.460 -0.402 0.000 1.321 343 W HN 0.514 nan 8.180 nan 0.000 0.506 353 N N 1.699 120.498 118.700 0.166 0.000 2.521 353 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 353 N C 1.341 176.811 175.510 -0.066 0.000 1.146 353 N CA 1.256 54.317 53.050 0.018 0.000 0.893 353 N CB 0.202 38.675 38.487 -0.022 0.000 0.975 353 N HN 0.122 nan 8.380 nan 0.000 0.451 354 R N -2.477 118.042 120.500 0.031 0.000 2.544 354 R HA 0.308 4.648 4.340 -0.000 0.000 0.426 354 R C -0.743 175.715 176.300 0.264 0.000 0.943 354 R CA -0.421 55.776 56.100 0.161 0.000 1.162 354 R CB -1.322 29.050 30.300 0.120 0.000 1.588 354 R HN -0.140 nan 8.270 nan 0.000 0.563 355 T N 1.854 116.509 114.554 0.169 0.000 2.780 355 T HA 0.378 4.728 4.350 -0.000 0.000 0.294 355 T C -0.213 174.693 174.700 0.345 0.000 0.949 355 T CA -0.416 61.730 62.100 0.076 0.000 1.074 355 T CB 0.720 69.453 68.868 -0.225 0.000 0.910 355 T HN 0.034 nan 8.240 nan 0.000 0.501 356 R N 2.603 123.200 120.500 0.161 0.000 2.389 356 R HA 0.373 4.713 4.340 -0.000 0.000 0.295 356 R C -0.523 175.901 176.300 0.207 0.000 1.075 356 R CA -0.197 56.015 56.100 0.187 0.000 1.005 356 R CB 0.042 30.328 30.300 -0.024 0.000 0.987 356 R HN 0.581 nan 8.270 nan 0.000 0.452 357 H N 0.536 119.681 119.070 0.125 0.000 2.481 357 H HA 0.459 5.015 4.556 -0.000 0.000 0.333 357 H C -0.851 174.610 175.328 0.221 0.000 1.066 357 H CA -0.652 55.526 56.048 0.215 0.000 1.209 357 H CB 1.409 31.352 29.762 0.301 0.000 1.445 357 H HN 0.168 nan 8.280 nan 0.000 0.488 358 V N 5.592 125.693 119.914 0.312 0.000 2.409 358 V HA 0.284 4.404 4.120 -0.000 0.000 0.290 358 V C -0.103 176.250 176.094 0.432 0.000 1.017 358 V CA -0.547 61.947 62.300 0.324 0.000 0.841 358 V CB 1.089 33.048 31.823 0.226 0.000 1.003 358 V HN 0.657 nan 8.190 nan 0.000 0.426 359 I N 6.012 126.851 120.570 0.447 0.000 2.321 359 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 359 I C -0.539 175.851 176.117 0.455 0.000 0.998 359 I CA -0.299 61.263 61.300 0.437 0.000 1.227 359 I CB 1.448 39.621 38.000 0.289 0.000 1.368 359 I HN 0.436 nan 8.210 nan 0.000 0.466 360 I N 7.948 128.785 120.570 0.446 0.000 2.410 360 I HA 0.392 4.561 4.170 -0.000 0.000 0.286 360 I C -0.626 175.730 176.117 0.398 0.000 1.009 360 I CA -0.653 60.941 61.300 0.489 0.000 1.111 360 I CB 1.582 39.876 38.000 0.490 0.000 1.262 360 I HN 0.421 nan 8.210 nan 0.000 0.443 361 L N 3.557 125.019 121.223 0.398 0.000 2.385 361 L HA 0.768 5.108 4.340 -0.000 0.000 0.273 361 L C -1.190 175.912 176.870 0.388 0.000 0.990 361 L CA -0.886 54.164 54.840 0.350 0.000 0.821 361 L CB 2.020 44.250 42.059 0.285 0.000 1.279 361 L HN 0.419 nan 8.230 nan 0.000 0.412 362 M N 3.443 123.243 119.600 0.333 0.000 2.157 362 M HA 0.664 5.144 4.480 -0.000 0.000 0.354 362 M C 0.035 176.510 176.300 0.291 0.000 1.170 362 M CA 0.404 55.883 55.300 0.300 0.000 1.060 362 M CB 1.621 34.318 32.600 0.161 0.000 1.615 362 M HN 0.871 nan 8.290 nan 0.000 0.460 363 T N -0.120 114.601 114.554 0.279 0.000 2.739 363 T HA 0.372 4.722 4.350 -0.000 0.000 0.303 363 T C -0.688 174.140 174.700 0.213 0.000 1.389 363 T CA -0.637 61.619 62.100 0.260 0.000 1.001 363 T CB 0.950 70.015 68.868 0.329 0.000 1.436 363 T HN 0.758 nan 8.240 nan 0.000 0.500 364 D N -0.336 120.174 120.400 0.184 0.000 2.369 364 D HA 0.268 4.908 4.640 -0.000 0.000 0.211 364 D C 1.499 177.878 176.300 0.132 0.000 1.077 364 D CA 0.959 55.047 54.000 0.147 0.000 0.842 364 D CB -0.264 40.608 40.800 0.121 0.000 0.947 364 D HN 1.211 nan 8.370 nan 0.000 0.509 365 G N 0.632 109.531 108.800 0.166 0.000 2.184 365 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 365 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 365 G C 0.162 175.098 174.900 0.060 0.000 0.975 365 G CA 0.338 45.532 45.100 0.156 0.000 0.642 365 G HN 0.420 nan 8.290 nan 0.000 0.536 366 L N 2.529 123.780 121.223 0.047 0.000 2.389 366 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 366 L C 0.729 177.594 176.870 -0.008 0.000 1.167 366 L CA -0.943 53.869 54.840 -0.048 0.000 1.045 366 L CB -0.356 41.706 42.059 0.005 0.000 1.351 366 L HN 0.460 nan 8.230 nan 0.000 0.419 367 H N -0.085 119.032 119.070 0.079 0.000 2.502 367 H HA 0.383 4.939 4.556 -0.000 0.000 0.327 367 H C 0.305 175.662 175.328 0.049 0.000 1.099 367 H CA -1.067 55.028 56.048 0.078 0.000 1.323 367 H CB 0.701 30.510 29.762 0.078 0.000 1.450 367 H HN 0.405 nan 8.280 nan 0.000 0.502 368 N N 2.577 121.369 118.700 0.154 0.000 2.143 368 N HA 0.137 4.877 4.740 -0.000 0.000 0.229 368 N C -0.783 174.773 175.510 0.077 0.000 1.294 368 N CA -0.281 52.822 53.050 0.089 0.000 0.883 368 N CB 0.575 39.086 38.487 0.041 0.000 1.148 368 N HN 0.590 nan 8.380 nan 0.000 0.511 369 M N -0.533 119.120 119.600 0.089 0.000 2.324 369 M HA 0.541 5.021 4.480 -0.000 0.000 0.288 369 M C 0.185 176.496 176.300 0.018 0.000 1.097 369 M CA -0.349 54.971 55.300 0.033 0.000 0.928 369 M CB 2.711 35.306 32.600 -0.008 0.000 1.648 369 M HN 0.175 nan 8.290 nan 0.000 0.460 370 G N 1.271 110.068 108.800 -0.004 0.000 2.254 370 G HA2 0.035 3.995 3.960 -0.000 0.000 0.225 370 G HA3 0.035 3.995 3.960 -0.000 0.000 0.225 370 G C 0.464 175.342 174.900 -0.036 0.000 1.003 370 G CA -0.082 45.000 45.100 -0.031 0.000 0.622 370 G HN 1.635 nan 8.290 nan 0.000 0.507 371 G N 0.099 108.896 108.800 -0.006 0.000 2.484 371 G HA2 0.158 4.118 3.960 -0.000 0.000 0.225 371 G HA3 0.158 4.118 3.960 -0.000 0.000 0.225 371 G C -0.499 174.350 174.900 -0.084 0.000 1.250 371 G CA 0.822 45.922 45.100 -0.001 0.000 0.926 371 G HN 1.448 nan 8.290 nan 0.000 0.581 372 D N 1.806 122.160 120.400 -0.077 0.000 2.339 372 D HA 0.509 5.149 4.640 -0.000 0.000 0.256 372 D C -0.730 175.454 176.300 -0.193 0.000 1.214 372 D CA -1.660 52.260 54.000 -0.133 0.000 0.877 372 D CB 1.272 42.045 40.800 -0.045 0.000 1.111 372 D HN 0.044 nan 8.370 nan 0.000 0.478 373 P HA 0.008 nan 4.420 nan 0.000 0.226 373 P C 1.498 178.711 177.300 -0.144 0.000 1.153 373 P CA 0.525 63.484 63.100 -0.234 0.000 0.777 373 P CB 0.233 31.761 31.700 -0.287 0.000 0.794 374 I N -0.144 120.358 120.570 -0.114 0.000 2.264 374 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 374 I C 2.310 178.384 176.117 -0.071 0.000 1.111 374 I CA 2.053 63.310 61.300 -0.072 0.000 1.382 374 I CB -1.475 36.497 38.000 -0.046 0.000 1.060 374 I HN 0.120 nan 8.210 nan 0.000 0.418 375 T N -0.961 113.545 114.554 -0.081 0.000 2.778 375 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 375 T C 1.787 176.428 174.700 -0.098 0.000 1.050 375 T CA 1.511 63.562 62.100 -0.082 0.000 1.137 375 T CB -0.979 67.838 68.868 -0.085 0.000 0.860 375 T HN 0.190 nan 8.240 nan 0.000 0.468 376 V N 1.697 121.545 119.914 -0.110 0.000 2.307 376 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 376 V C 2.791 178.845 176.094 -0.067 0.000 1.045 376 V CA 1.151 63.378 62.300 -0.121 0.000 1.024 376 V CB -0.673 31.078 31.823 -0.121 0.000 0.651 376 V HN 0.410 nan 8.190 nan 0.000 0.449 377 I N 0.720 121.259 120.570 -0.052 0.000 2.194 377 I HA -0.257 3.913 4.170 -0.000 0.000 0.246 377 I C 2.292 178.397 176.117 -0.020 0.000 1.093 377 I CA 1.864 63.148 61.300 -0.027 0.000 1.355 377 I CB -1.326 36.653 38.000 -0.035 0.000 1.046 377 I HN 0.369 nan 8.210 nan 0.000 0.413 378 D N 0.719 121.097 120.400 -0.036 0.000 2.097 378 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 378 D C 2.131 178.419 176.300 -0.020 0.000 0.989 378 D CA 1.114 55.094 54.000 -0.033 0.000 0.827 378 D CB -0.270 40.504 40.800 -0.044 0.000 0.966 378 D HN 0.454 nan 8.370 nan 0.000 0.456 379 E N 0.338 120.518 120.200 -0.035 0.000 2.085 379 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 379 E C 2.363 179.051 176.600 0.147 0.000 0.994 379 E CA 0.559 56.950 56.400 -0.015 0.000 0.801 379 E CB -0.117 29.472 29.700 -0.185 0.000 0.743 379 E HN 0.329 nan 8.360 nan 0.000 0.453 380 I N 0.800 121.467 120.570 0.162 0.000 2.208 380 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 380 I C 2.492 178.650 176.117 0.070 0.000 1.097 380 I CA 1.235 62.649 61.300 0.190 0.000 1.363 380 I CB -0.272 37.798 38.000 0.115 0.000 1.051 380 I HN 0.042 nan 8.210 nan 0.000 0.413 381 R N 0.557 121.075 120.500 0.030 0.000 2.120 381 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 381 R C 1.791 178.083 176.300 -0.013 0.000 1.123 381 R CA 1.471 57.570 56.100 -0.002 0.000 0.975 381 R CB -0.309 29.981 30.300 -0.016 0.000 0.866 381 R HN 0.361 nan 8.270 nan 0.000 0.446 382 D N 0.533 120.932 120.400 -0.003 0.000 2.178 382 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 382 D C 1.699 178.008 176.300 0.014 0.000 0.974 382 D CA 0.706 54.691 54.000 -0.025 0.000 0.841 382 D CB -0.093 40.699 40.800 -0.013 0.000 0.953 382 D HN 0.051 nan 8.370 nan 0.000 0.478 383 L N 0.190 121.450 121.223 0.060 0.000 2.141 383 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 383 L C 1.560 178.443 176.870 0.021 0.000 1.094 383 L CA 1.380 56.245 54.840 0.041 0.000 0.763 383 L CB -0.179 41.868 42.059 -0.020 0.000 0.908 383 L HN -0.001 nan 8.230 nan 0.000 0.437 384 L N -1.944 119.280 121.223 0.001 0.000 2.628 384 L HA 0.078 4.418 4.340 -0.000 0.000 0.229 384 L C 0.165 177.083 176.870 0.080 0.000 1.137 384 L CA -0.331 54.499 54.840 -0.017 0.000 0.909 384 L CB -0.567 41.426 42.059 -0.109 0.000 1.137 384 L HN 0.158 nan 8.230 nan 0.000 0.470 385 Y N 1.295 121.564 120.300 -0.052 0.000 3.078 385 Y HA -0.254 4.296 4.550 -0.000 0.000 0.202 385 Y C -0.089 175.783 175.900 -0.047 0.000 1.322 385 Y CA -0.029 58.043 58.100 -0.047 0.000 1.118 385 Y CB -1.350 37.075 38.460 -0.059 0.000 1.343 385 Y HN 0.159 nan 8.280 nan 0.000 0.499 386 I N 0.486 121.057 120.570 0.002 0.000 2.441 386 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 386 I C 1.336 177.433 176.117 -0.033 0.000 0.994 386 I CA -0.140 61.170 61.300 0.017 0.000 1.144 386 I CB 1.578 39.594 38.000 0.026 0.000 1.314 386 I HN 0.410 nan 8.210 nan 0.000 0.445 387 G N 4.480 113.277 108.800 -0.006 0.000 2.166 387 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 387 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 387 G C 0.530 175.390 174.900 -0.067 0.000 0.986 387 G CA 0.164 45.251 45.100 -0.023 0.000 0.683 387 G HN 0.716 nan 8.290 nan 0.000 0.527 388 K N 0.017 120.342 120.400 -0.126 0.000 2.593 388 K HA 0.325 4.645 4.320 -0.000 0.000 0.208 388 K C -0.459 176.066 176.600 -0.126 0.000 1.051 388 K CA -0.058 56.092 56.287 -0.228 0.000 1.111 388 K CB 0.678 32.858 32.500 -0.535 0.000 0.849 388 K HN 0.249 nan 8.250 nan 0.000 0.479 389 D N 0.583 120.983 120.400 -0.000 0.000 2.688 389 D HA 0.039 4.679 4.640 -0.000 0.000 0.210 389 D C 0.818 177.146 176.300 0.046 0.000 1.333 389 D CA -0.459 53.581 54.000 0.067 0.000 0.920 389 D CB 0.993 41.902 40.800 0.182 0.000 1.554 389 D HN 0.108 nan 8.370 nan 0.000 0.579 390 R N 3.341 123.858 120.500 0.028 0.000 2.096 390 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 390 R C 1.523 177.838 176.300 0.025 0.000 1.139 390 R CA 1.141 57.252 56.100 0.018 0.000 0.952 390 R CB -0.123 30.181 30.300 0.007 0.000 0.854 390 R HN 0.267 nan 8.270 nan 0.000 0.436 391 K N 0.370 120.789 120.400 0.031 0.000 2.305 391 K HA -0.044 4.276 4.320 -0.000 0.000 0.199 391 K C 0.033 176.660 176.600 0.045 0.000 1.047 391 K CA 0.687 56.991 56.287 0.029 0.000 0.976 391 K CB 0.220 32.732 32.500 0.021 0.000 0.765 391 K HN 0.087 nan 8.250 nan 0.000 0.474 392 N N 0.384 119.122 118.700 0.063 0.000 2.762 392 N HA 0.209 4.949 4.740 -0.000 0.000 0.252 392 N C -2.502 173.067 175.510 0.099 0.000 1.269 392 N CA -2.030 51.069 53.050 0.081 0.000 0.799 392 N CB 1.569 40.100 38.487 0.074 0.000 1.173 392 N HN -0.149 nan 8.380 nan 0.000 0.516 393 P HA -0.057 nan 4.420 nan 0.000 0.215 393 P C -0.281 177.085 177.300 0.111 0.000 1.153 393 P CA 0.980 64.129 63.100 0.082 0.000 0.853 393 P CB 0.213 31.955 31.700 0.070 0.000 0.788 394 R N -2.057 118.538 120.500 0.158 0.000 3.878 394 R HA -0.174 4.166 4.340 -0.000 0.000 0.330 394 R C 0.835 177.298 176.300 0.272 0.000 1.186 394 R CA 0.333 56.582 56.100 0.248 0.000 0.885 394 R CB -1.888 28.475 30.300 0.105 0.000 1.377 394 R HN 0.292 nan 8.270 nan 0.000 0.523 395 E N 0.508 120.809 120.200 0.168 0.000 2.204 395 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 395 E C 1.213 177.873 176.600 0.100 0.000 0.989 395 E CA 1.190 57.653 56.400 0.105 0.000 0.824 395 E CB -0.073 29.659 29.700 0.053 0.000 0.756 395 E HN 0.360 nan 8.360 nan 0.000 0.477 396 D N -0.832 119.628 120.400 0.100 0.000 2.363 396 D HA -0.113 4.527 4.640 -0.000 0.000 0.226 396 D C 0.561 176.780 176.300 -0.135 0.000 1.020 396 D CA 0.355 54.332 54.000 -0.038 0.000 0.892 396 D CB -0.094 40.636 40.800 -0.116 0.000 0.900 396 D HN 0.168 nan 8.370 nan 0.000 0.531 397 Y N -0.626 119.704 120.300 0.051 0.000 2.458 397 Y HA 0.319 4.869 4.550 -0.000 0.000 0.256 397 Y C -0.023 175.927 175.900 0.084 0.000 1.159 397 Y CA -0.383 57.757 58.100 0.066 0.000 1.261 397 Y CB 0.736 39.225 38.460 0.050 0.000 1.119 397 Y HN -0.072 nan 8.280 nan 0.000 0.524 398 L N 0.638 121.961 121.223 0.167 0.000 2.580 398 L HA 0.516 4.856 4.340 -0.000 0.000 0.266 398 L C -1.970 174.939 176.870 0.065 0.000 0.955 398 L CA -0.642 54.281 54.840 0.138 0.000 0.886 398 L CB 1.406 43.520 42.059 0.092 0.000 1.263 398 L HN -0.193 nan 8.230 nan 0.000 0.406 399 D N 3.782 124.237 120.400 0.090 0.000 2.498 399 D HA 0.659 5.299 4.640 -0.000 0.000 0.247 399 D C -1.027 175.263 176.300 -0.016 0.000 1.070 399 D CA -0.033 53.959 54.000 -0.013 0.000 0.842 399 D CB 2.975 43.826 40.800 0.085 0.000 1.361 399 D HN 0.284 nan 8.370 nan 0.000 0.484 400 V N 3.062 122.859 119.914 -0.194 0.000 2.443 400 V HA 0.323 4.443 4.120 -0.000 0.000 0.293 400 V C -1.087 174.943 176.094 -0.105 0.000 1.021 400 V CA -0.711 61.556 62.300 -0.056 0.000 0.848 400 V CB 0.761 32.558 31.823 -0.042 0.000 0.998 400 V HN 0.393 nan 8.190 nan 0.000 0.424 401 Y N 3.338 123.808 120.300 0.283 0.000 2.341 401 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 401 Y C 0.033 175.999 175.900 0.110 0.000 1.014 401 Y CA -0.956 57.295 58.100 0.252 0.000 1.111 401 Y CB 2.083 40.816 38.460 0.456 0.000 1.194 401 Y HN 0.354 nan 8.280 nan 0.000 0.462 402 V N 4.589 124.554 119.914 0.086 0.000 2.483 402 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 402 V C -0.988 175.088 176.094 -0.031 0.000 1.027 402 V CA -1.107 61.240 62.300 0.078 0.000 0.855 402 V CB 1.004 32.877 31.823 0.083 0.000 0.995 402 V HN 0.491 nan 8.190 nan 0.000 0.424 403 F N 2.398 122.513 119.950 0.275 0.000 2.411 403 F HA 0.663 5.190 4.527 -0.000 0.000 0.352 403 F C 1.090 177.000 175.800 0.183 0.000 1.123 403 F CA -0.497 57.650 58.000 0.244 0.000 1.044 403 F CB 1.678 40.772 39.000 0.157 0.000 1.135 403 F HN 0.580 nan 8.300 nan 0.000 0.461 404 G N 1.893 110.889 108.800 0.326 0.000 2.364 404 G HA2 0.438 4.398 3.960 -0.000 0.000 0.267 404 G HA3 0.438 4.398 3.960 -0.000 0.000 0.267 404 G C 0.537 175.568 174.900 0.218 0.000 1.233 404 G CA -0.166 45.075 45.100 0.235 0.000 0.885 404 G HN 0.687 nan 8.290 nan 0.000 0.490 405 V N 1.100 121.122 119.914 0.180 0.000 3.058 405 V HA 0.481 4.601 4.120 -0.000 0.000 0.233 405 V C 1.495 177.659 176.094 0.115 0.000 1.255 405 V CA 0.810 63.194 62.300 0.139 0.000 1.267 405 V CB -0.990 30.911 31.823 0.131 0.000 1.049 405 V HN 0.804 nan 8.190 nan 0.000 0.486 406 G N 1.560 110.434 108.800 0.124 0.000 2.690 406 G HA2 0.310 4.270 3.960 -0.000 0.000 0.239 406 G HA3 0.310 4.270 3.960 -0.000 0.000 0.239 406 G C -1.289 173.668 174.900 0.094 0.000 1.233 406 G CA 0.252 45.416 45.100 0.106 0.000 0.847 406 G HN 0.373 nan 8.290 nan 0.000 0.588 407 P HA -0.031 nan 4.420 nan 0.000 0.215 407 P C 0.384 177.739 177.300 0.090 0.000 1.157 407 P CA 0.851 63.999 63.100 0.080 0.000 0.868 407 P CB 0.137 31.880 31.700 0.072 0.000 0.788 408 L N -0.137 121.139 121.223 0.088 0.000 2.265 408 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 408 L C -0.115 176.806 176.870 0.085 0.000 1.033 408 L CA -0.502 54.389 54.840 0.086 0.000 0.814 408 L CB 0.895 42.999 42.059 0.076 0.000 1.203 408 L HN -0.197 nan 8.230 nan 0.000 0.423 409 V N 5.181 125.148 119.914 0.089 0.000 2.487 409 V HA 0.462 4.582 4.120 -0.000 0.000 0.298 409 V C -0.129 176.008 176.094 0.072 0.000 1.028 409 V CA -0.666 61.688 62.300 0.090 0.000 0.860 409 V CB 2.055 33.944 31.823 0.110 0.000 0.991 409 V HN 0.836 nan 8.190 nan 0.000 0.427 410 N N 5.273 124.009 118.700 0.060 0.000 2.482 410 N HA 0.236 4.976 4.740 -0.000 0.000 0.242 410 N C 0.877 176.416 175.510 0.049 0.000 1.100 410 N CA 0.203 53.278 53.050 0.042 0.000 0.946 410 N CB 1.164 39.658 38.487 0.012 0.000 1.227 410 N HN 0.796 nan 8.380 nan 0.000 0.508 411 Q N 1.731 121.557 119.800 0.042 0.000 2.291 411 Q HA -0.067 4.273 4.340 -0.000 0.000 0.205 411 Q C 1.304 177.319 176.000 0.024 0.000 0.970 411 Q CA 0.974 56.797 55.803 0.033 0.000 0.876 411 Q CB 0.364 29.113 28.738 0.018 0.000 0.935 411 Q HN 0.491 nan 8.270 nan 0.000 0.455 412 V N 1.372 121.302 119.914 0.027 0.000 2.453 412 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 412 V C 1.506 177.623 176.094 0.040 0.000 1.048 412 V CA 1.644 63.960 62.300 0.026 0.000 1.049 412 V CB -0.382 31.458 31.823 0.027 0.000 0.672 412 V HN 0.350 nan 8.190 nan 0.000 0.457 413 N N 0.586 119.321 118.700 0.058 0.000 2.290 413 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 413 N C 1.809 177.376 175.510 0.095 0.000 1.016 413 N CA 1.532 54.643 53.050 0.102 0.000 0.871 413 N CB -0.325 38.250 38.487 0.146 0.000 0.987 413 N HN 0.672 nan 8.380 nan 0.000 0.431 414 I N -1.658 118.961 120.570 0.082 0.000 2.676 414 I HA 0.006 4.176 4.170 -0.000 0.000 0.259 414 I C 1.696 177.829 176.117 0.026 0.000 1.194 414 I CA 1.291 62.636 61.300 0.073 0.000 1.473 414 I CB -0.228 37.824 38.000 0.086 0.000 1.096 414 I HN -0.112 nan 8.210 nan 0.000 0.443 415 N N 2.101 120.807 118.700 0.010 0.000 2.376 415 N HA 0.024 4.764 4.740 -0.000 0.000 0.177 415 N C 1.790 177.286 175.510 -0.023 0.000 1.024 415 N CA 1.336 54.373 53.050 -0.023 0.000 0.893 415 N CB 0.001 38.472 38.487 -0.027 0.000 0.980 415 N HN 0.466 nan 8.380 nan 0.000 0.439 416 A N -0.089 122.731 122.820 0.001 0.000 2.067 416 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 416 A C 2.081 179.656 177.584 -0.015 0.000 1.156 416 A CA 0.527 52.562 52.037 -0.003 0.000 0.683 416 A CB -0.286 18.726 19.000 0.020 0.000 0.808 416 A HN 0.329 nan 8.150 nan 0.000 0.455 417 L N -0.922 120.297 121.223 -0.007 0.000 2.221 417 L HA 0.178 4.518 4.340 -0.000 0.000 0.202 417 L C 1.688 178.532 176.870 -0.043 0.000 1.074 417 L CA 0.264 55.096 54.840 -0.015 0.000 0.795 417 L CB -0.563 41.504 42.059 0.014 0.000 0.960 417 L HN 0.353 nan 8.230 nan 0.000 0.458 418 A N 0.360 123.151 122.820 -0.048 0.000 2.520 418 A HA 0.186 4.506 4.320 -0.000 0.000 0.235 418 A C 0.545 178.011 177.584 -0.197 0.000 1.065 418 A CA -0.033 51.946 52.037 -0.096 0.000 0.764 418 A CB 0.096 19.052 19.000 -0.073 0.000 1.002 418 A HN 0.245 nan 8.150 nan 0.000 0.502 419 S N 0.448 115.908 115.700 -0.400 0.000 2.593 419 S HA 0.333 4.803 4.470 -0.000 0.000 0.269 419 S C -0.096 174.193 174.600 -0.519 0.000 1.334 419 S CA -0.021 57.844 58.200 -0.559 0.000 1.015 419 S CB 0.498 63.169 63.200 -0.881 0.000 0.912 419 S HN 0.502 nan 8.310 nan 0.000 0.541 420 K N 2.241 122.452 120.400 -0.315 0.000 2.530 420 K HA 0.336 4.656 4.320 -0.000 0.000 0.230 420 K C -0.754 175.783 176.600 -0.106 0.000 1.002 420 K CA -0.106 56.084 56.287 -0.161 0.000 1.014 420 K CB 0.907 33.351 32.500 -0.093 0.000 1.286 420 K HN 0.322 nan 8.250 nan 0.000 0.480 421 K N 1.158 121.532 120.400 -0.043 0.000 2.221 421 K HA 0.201 4.521 4.320 -0.000 0.000 0.258 421 K C -0.766 175.868 176.600 0.056 0.000 0.944 421 K CA -1.141 55.163 56.287 0.029 0.000 0.823 421 K CB 1.616 34.173 32.500 0.096 0.000 1.113 421 K HN 0.406 nan 8.250 nan 0.000 0.431 422 D N 2.276 122.700 120.400 0.040 0.000 2.531 422 D HA -0.103 4.537 4.640 -0.000 0.000 0.239 422 D C 0.550 176.867 176.300 0.028 0.000 1.144 422 D CA 1.253 55.275 54.000 0.036 0.000 0.869 422 D CB 0.210 41.036 40.800 0.043 0.000 1.160 422 D HN 0.615 nan 8.370 nan 0.000 0.484 423 N N 1.861 120.571 118.700 0.016 0.000 2.878 423 N HA -0.216 4.524 4.740 -0.000 0.000 0.247 423 N C -1.154 174.368 175.510 0.020 0.000 1.021 423 N CA 1.088 54.143 53.050 0.009 0.000 0.873 423 N CB -0.736 37.752 38.487 0.002 0.000 1.128 423 N HN 0.725 nan 8.380 nan 0.000 0.571 424 E N 0.204 120.427 120.200 0.039 0.000 2.256 424 E HA 0.376 4.726 4.350 -0.000 0.000 0.267 424 E C -0.531 176.083 176.600 0.024 0.000 0.892 424 E CA -0.628 55.792 56.400 0.033 0.000 0.775 424 E CB 2.001 31.745 29.700 0.073 0.000 1.207 424 E HN 0.186 nan 8.360 nan 0.000 0.420 425 Q N 1.884 121.655 119.800 -0.048 0.000 2.331 425 Q HA 0.248 4.588 4.340 -0.000 0.000 0.267 425 Q C -0.378 175.441 176.000 -0.303 0.000 1.006 425 Q CA -0.377 55.359 55.803 -0.111 0.000 0.818 425 Q CB 0.835 29.547 28.738 -0.043 0.000 1.276 425 Q HN 0.714 nan 8.270 nan 0.000 0.450 426 H N 1.900 120.777 119.070 -0.321 0.000 3.170 426 H HA 0.220 4.776 4.556 -0.000 0.000 0.264 426 H C -0.390 174.603 175.328 -0.559 0.000 1.113 426 H CA 0.200 56.081 56.048 -0.279 0.000 1.194 426 H CB 1.440 31.018 29.762 -0.307 0.000 1.553 426 H HN 0.259 nan 8.280 nan 0.000 0.538 427 V N 2.207 121.703 119.914 -0.697 0.000 2.398 427 V HA 0.291 4.411 4.120 -0.000 0.000 0.286 427 V C -0.788 174.792 176.094 -0.857 0.000 1.026 427 V CA -0.414 61.548 62.300 -0.564 0.000 0.868 427 V CB 1.128 32.795 31.823 -0.259 0.000 0.982 427 V HN 0.042 nan 8.190 nan 0.000 0.443 428 F N 2.680 122.603 119.950 -0.045 0.000 2.561 428 F HA 0.551 5.078 4.527 0.000 0.000 0.313 428 F C -0.040 175.834 175.800 0.123 0.000 1.126 428 F CA -0.924 57.104 58.000 0.047 0.000 0.918 428 F CB 2.166 41.214 39.000 0.080 0.000 1.199 428 F HN 0.311 nan 8.300 nan 0.000 0.444 429 K N 3.791 124.374 120.400 0.306 0.000 2.478 429 K HA 0.523 4.843 4.320 -0.000 0.000 0.236 429 K C -0.907 175.851 176.600 0.263 0.000 1.021 429 K CA -0.601 55.836 56.287 0.250 0.000 1.010 429 K CB 0.945 33.552 32.500 0.178 0.000 1.331 429 K HN 0.641 nan 8.250 nan 0.000 0.470 430 V N 1.738 121.803 119.914 0.251 0.000 2.599 430 V HA 0.050 4.170 4.120 -0.000 0.000 0.300 430 V C 1.259 177.423 176.094 0.116 0.000 1.034 430 V CA -0.116 62.286 62.300 0.170 0.000 1.115 430 V CB 1.111 33.001 31.823 0.112 0.000 0.934 430 V HN 0.844 nan 8.190 nan 0.000 0.485 431 K N 2.837 123.275 120.400 0.063 0.000 1.984 431 K HA -0.077 4.243 4.320 -0.000 0.000 0.219 431 K C 1.406 177.962 176.600 -0.072 0.000 1.033 431 K CA 1.756 57.998 56.287 -0.075 0.000 0.983 431 K CB -0.166 32.136 32.500 -0.331 0.000 0.762 431 K HN 0.855 nan 8.250 nan 0.000 0.445 432 D N -0.135 120.209 120.400 -0.094 0.000 2.249 432 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 432 D C 0.723 176.996 176.300 -0.044 0.000 0.962 432 D CA 0.420 54.379 54.000 -0.070 0.000 0.860 432 D CB -0.159 40.594 40.800 -0.079 0.000 0.955 432 D HN 0.214 nan 8.370 nan 0.000 0.505 433 M N -0.223 119.352 119.600 -0.040 0.000 7.319 433 M HA -0.364 4.116 4.480 -0.000 0.000 0.157 433 M C 0.383 176.649 176.300 -0.057 0.000 0.480 433 M CA 1.180 56.453 55.300 -0.045 0.000 1.311 433 M CB -0.272 32.310 32.600 -0.028 0.000 0.421 433 M HN 0.304 nan 8.290 nan 0.000 0.190 434 E N -2.384 117.777 120.200 -0.065 0.000 5.086 434 E HA -0.331 4.019 4.350 -0.000 0.000 0.187 434 E C 0.616 177.178 176.600 -0.063 0.000 1.056 434 E CA 1.445 57.809 56.400 -0.062 0.000 2.105 434 E CB -1.446 28.221 29.700 -0.054 0.000 1.787 434 E HN 0.798 nan 8.360 nan 0.000 0.445 435 N N 0.812 119.470 118.700 -0.070 0.000 2.331 435 N HA -0.006 4.734 4.740 -0.000 0.000 0.180 435 N C 1.782 177.225 175.510 -0.113 0.000 1.019 435 N CA 0.985 53.989 53.050 -0.078 0.000 0.881 435 N CB -0.152 38.290 38.487 -0.074 0.000 0.972 435 N HN 0.253 nan 8.380 nan 0.000 0.435 436 L N 1.298 122.436 121.223 -0.142 0.000 2.012 436 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 436 L C 2.495 179.281 176.870 -0.140 0.000 1.073 436 L CA 1.440 56.125 54.840 -0.258 0.000 0.748 436 L CB -0.351 41.573 42.059 -0.225 0.000 0.891 436 L HN 0.309 nan 8.230 nan 0.000 0.431 437 E N 0.046 120.253 120.200 0.012 0.000 2.049 437 E HA -0.335 4.014 4.350 -0.000 0.000 0.198 437 E C 1.730 178.383 176.600 0.089 0.000 1.007 437 E CA 2.046 58.506 56.400 0.099 0.000 0.809 437 E CB -0.073 29.633 29.700 0.009 0.000 0.749 437 E HN 0.377 nan 8.360 nan 0.000 0.450 438 D N -0.508 119.896 120.400 0.007 0.000 2.219 438 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 438 D C 1.927 178.253 176.300 0.044 0.000 0.970 438 D CA 0.536 54.548 54.000 0.019 0.000 0.851 438 D CB 0.236 41.020 40.800 -0.027 0.000 0.943 438 D HN 0.116 nan 8.370 nan 0.000 0.488 439 V N 0.083 119.963 119.914 -0.057 0.000 2.407 439 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 439 V C 2.102 178.147 176.094 -0.083 0.000 1.041 439 V CA 0.965 63.191 62.300 -0.123 0.000 1.040 439 V CB -0.581 31.077 31.823 -0.276 0.000 0.671 439 V HN 0.091 nan 8.190 nan 0.000 0.455 440 F N -0.393 119.561 119.950 0.008 0.000 2.126 440 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 440 F C 2.353 178.167 175.800 0.023 0.000 1.096 440 F CA 1.759 59.762 58.000 0.004 0.000 1.255 440 F CB -1.015 37.974 39.000 -0.019 0.000 0.997 440 F HN 0.187 nan 8.300 nan 0.000 0.479 441 Y N 0.684 121.061 120.300 0.128 0.000 2.224 441 Y HA -0.284 4.266 4.550 -0.000 0.000 0.289 441 Y C 2.538 178.450 175.900 0.020 0.000 1.146 441 Y CA 1.887 60.016 58.100 0.048 0.000 1.182 441 Y CB -0.418 38.053 38.460 0.019 0.000 0.983 441 Y HN 0.089 nan 8.280 nan 0.000 0.524 442 Q N 0.029 119.893 119.800 0.107 0.000 2.311 442 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 442 Q C 1.474 177.449 176.000 -0.042 0.000 0.954 442 Q CA 1.425 57.238 55.803 0.017 0.000 0.885 442 Q CB -0.189 28.583 28.738 0.057 0.000 0.963 442 Q HN 0.580 nan 8.270 nan 0.000 0.471 443 M N -0.086 119.505 119.600 -0.014 0.000 2.494 443 M HA 0.210 4.690 4.480 -0.000 0.000 0.232 443 M C -0.424 175.852 176.300 -0.040 0.000 1.137 443 M CA -0.008 55.289 55.300 -0.004 0.000 1.012 443 M CB 0.486 33.115 32.600 0.048 0.000 1.567 443 M HN 0.026 nan 8.290 nan 0.000 0.486 444 I N 1.348 121.848 120.570 -0.117 0.000 2.363 444 I HA 0.083 4.253 4.170 -0.000 0.000 0.292 444 I C -0.368 175.649 176.117 -0.167 0.000 1.075 444 I CA -0.008 61.185 61.300 -0.178 0.000 1.333 444 I CB 0.243 38.092 38.000 -0.251 0.000 1.415 444 I HN -0.034 nan 8.210 nan 0.000 0.502 445 D N 5.350 125.663 120.400 -0.146 0.000 2.476 445 D HA 0.220 4.860 4.640 -0.000 0.000 0.251 445 D C 0.433 176.677 176.300 -0.093 0.000 1.291 445 D CA -0.443 53.497 54.000 -0.099 0.000 0.939 445 D CB 1.335 42.104 40.800 -0.051 0.000 1.221 445 D HN 0.361 nan 8.370 nan 0.000 0.567 446 E N 0.583 120.732 120.200 -0.085 0.000 2.418 446 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 446 E C 1.828 178.416 176.600 -0.019 0.000 1.026 446 E CA 0.716 57.078 56.400 -0.062 0.000 0.862 446 E CB 0.148 29.814 29.700 -0.057 0.000 0.799 446 E HN 0.465 nan 8.360 nan 0.000 0.518 447 S N 0.705 116.397 115.700 -0.014 0.000 2.387 447 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 447 S C 1.160 175.774 174.600 0.024 0.000 1.026 447 S CA 0.102 58.305 58.200 0.005 0.000 0.972 447 S CB -0.564 62.637 63.200 0.001 0.000 0.814 447 S HN 0.386 nan 8.310 nan 0.000 0.477 448 Q N 2.705 122.525 119.800 0.032 0.000 2.289 448 Q HA 0.398 4.738 4.340 -0.000 0.000 0.273 448 Q C -0.148 175.907 176.000 0.091 0.000 1.029 448 Q CA -0.269 55.570 55.803 0.060 0.000 0.896 448 Q CB 0.463 29.246 28.738 0.076 0.000 1.182 448 Q HN 0.425 nan 8.270 nan 0.000 0.385 449 S N 2.994 118.738 115.700 0.074 0.000 2.669 449 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 449 S C -0.258 174.384 174.600 0.070 0.000 1.225 449 S CA -1.021 57.226 58.200 0.078 0.000 0.991 449 S CB 0.913 64.150 63.200 0.060 0.000 0.987 449 S HN 0.605 nan 8.310 nan 0.000 0.552 450 L N 2.274 123.530 121.223 0.055 0.000 2.264 450 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 450 L C 0.621 177.482 176.870 -0.016 0.000 1.044 450 L CA 0.313 55.147 54.840 -0.010 0.000 0.807 450 L CB 1.094 43.137 42.059 -0.028 0.000 1.192 450 L HN 0.967 nan 8.230 nan 0.000 0.425 451 S N 3.291 118.966 115.700 -0.041 0.000 2.572 451 S HA 0.221 4.691 4.470 -0.000 0.000 0.267 451 S C 0.412 174.995 174.600 -0.027 0.000 1.361 451 S CA 0.141 58.319 58.200 -0.037 0.000 1.009 451 S CB 0.382 63.550 63.200 -0.053 0.000 0.888 451 S HN 0.668 nan 8.310 nan 0.000 0.553 452 L N 2.635 123.838 121.223 -0.035 0.000 4.013 452 L HA 0.323 4.663 4.340 -0.000 0.000 0.387 452 L C -0.031 176.805 176.870 -0.057 0.000 1.204 452 L CA -0.075 54.747 54.840 -0.029 0.000 1.313 452 L CB -0.533 41.495 42.059 -0.052 0.000 1.538 452 L HN 0.860 nan 8.230 nan 0.000 0.625 453 c N -0.388 118.177 118.600 -0.058 0.000 2.539 453 c HA 0.777 5.347 4.570 -0.000 0.000 0.392 453 c C 1.757 175.853 174.090 0.009 0.000 1.269 453 c CA 0.062 56.359 56.329 -0.054 0.000 2.250 453 c CB -0.014 42.451 42.510 -0.075 0.000 2.584 453 c HN 1.190 nan 8.230 nan 0.000 0.589 454 G N 3.351 112.179 108.800 0.047 0.000 2.273 454 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.280 454 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.280 454 G C -0.134 174.942 174.900 0.293 0.000 1.047 454 G CA 0.423 45.613 45.100 0.150 0.000 0.869 454 G HN 0.829 nan 8.290 nan 0.000 0.502 455 M N -0.039 119.692 119.600 0.218 0.000 2.113 455 M HA 0.580 5.060 4.480 -0.000 0.000 0.352 455 M C -0.099 176.246 176.300 0.074 0.000 1.170 455 M CA -0.715 54.719 55.300 0.223 0.000 1.053 455 M CB 1.409 34.166 32.600 0.262 0.000 1.601 455 M HN 0.003 nan 8.290 nan 0.000 0.459 456 V N 4.767 124.788 119.914 0.179 0.000 2.567 456 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 456 V C -1.372 174.808 176.094 0.143 0.000 1.047 456 V CA -0.718 61.553 62.300 -0.047 0.000 0.880 456 V CB 1.658 33.531 31.823 0.083 0.000 1.009 456 V HN 0.951 nan 8.190 nan 0.000 0.429 457 W N 2.659 124.053 121.300 0.158 0.000 2.666 457 W HA 0.747 5.407 4.660 -0.000 0.000 0.334 457 W C 0.044 176.664 176.519 0.168 0.000 1.051 457 W CA -1.027 56.416 57.345 0.163 0.000 1.224 457 W CB 0.725 30.276 29.460 0.151 0.000 1.405 457 W HN 0.383 nan 8.180 nan 0.000 0.513 458 E N 2.828 123.253 120.200 0.374 0.000 1.774 458 E HA -0.044 4.306 4.350 -0.000 0.000 0.265 458 E C -0.643 176.125 176.600 0.279 0.000 1.207 458 E CA 0.202 56.749 56.400 0.246 0.000 1.054 458 E CB -0.680 29.124 29.700 0.174 0.000 1.074 458 E HN 0.536 nan 8.360 nan 0.000 0.433 459 H N 1.520 120.728 119.070 0.229 0.000 2.562 459 H HA 0.071 4.627 4.556 -0.000 0.000 0.352 459 H C 1.765 177.135 175.328 0.071 0.000 1.125 459 H CA -0.119 56.056 56.048 0.212 0.000 1.379 459 H CB 0.884 30.805 29.762 0.266 0.000 1.464 459 H HN 0.341 nan 8.280 nan 0.000 0.563 460 R N 2.633 123.095 120.500 -0.063 0.000 2.097 460 R HA -0.098 4.242 4.340 -0.000 0.000 0.236 460 R C 0.476 176.786 176.300 0.017 0.000 1.135 460 R CA 1.189 57.273 56.100 -0.026 0.000 0.934 460 R CB -0.207 30.051 30.300 -0.070 0.000 0.846 460 R HN 0.414 nan 8.270 nan 0.000 0.431 461 K N 0.094 120.530 120.400 0.060 0.000 2.711 461 K HA 0.355 4.675 4.320 -0.000 0.000 0.305 461 K C 0.593 177.066 176.600 -0.211 0.000 0.974 461 K CA -0.049 56.214 56.287 -0.040 0.000 1.394 461 K CB -0.182 32.305 32.500 -0.022 0.000 1.670 461 K HN 0.382 nan 8.250 nan 0.000 0.748 462 G N -0.368 108.194 108.800 -0.397 0.000 2.698 462 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.233 462 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.233 462 G C 0.112 174.812 174.900 -0.333 0.000 1.352 462 G CA 0.163 44.749 45.100 -0.857 0.000 0.879 462 G HN 0.723 nan 8.290 nan 0.000 0.567 463 T N -1.737 112.718 114.554 -0.166 0.000 2.601 463 T HA 0.416 4.766 4.350 -0.000 0.000 0.231 463 T C -0.775 173.931 174.700 0.011 0.000 1.245 463 T CA 1.332 63.410 62.100 -0.036 0.000 1.168 463 T CB -0.342 68.522 68.868 -0.008 0.000 1.995 463 T HN 1.641 nan 8.240 nan 0.000 0.424 464 D N 0.512 120.912 120.400 -0.001 0.000 2.368 464 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 464 D C 0.371 176.668 176.300 -0.006 0.000 1.169 464 D CA 0.282 54.203 54.000 -0.131 0.000 0.906 464 D CB -0.204 40.460 40.800 -0.227 0.000 1.187 464 D HN 0.837 nan 8.370 nan 0.000 0.435 465 Y N -1.951 118.212 120.300 -0.228 0.000 4.784 465 Y HA -0.340 4.210 4.550 -0.000 0.000 0.278 465 Y C 1.527 177.198 175.900 -0.382 0.000 0.980 465 Y CA 1.774 59.690 58.100 -0.307 0.000 1.845 465 Y CB -2.098 36.230 38.460 -0.220 0.000 1.177 465 Y HN 0.658 nan 8.280 nan 0.000 0.460 466 H N -0.802 118.153 119.070 -0.191 0.000 2.451 466 H HA 0.143 4.699 4.556 -0.000 0.000 0.294 466 H C 1.726 176.832 175.328 -0.370 0.000 1.028 466 H CA 1.434 57.330 56.048 -0.253 0.000 1.349 466 H CB 0.140 29.806 29.762 -0.160 0.000 1.444 466 H HN 0.323 nan 8.280 nan 0.000 0.538 467 K N -0.075 120.173 120.400 -0.253 0.000 2.323 467 K HA 0.065 4.385 4.320 -0.000 0.000 0.197 467 K C -0.132 176.056 176.600 -0.686 0.000 1.043 467 K CA 0.522 56.599 56.287 -0.350 0.000 0.997 467 K CB 0.670 33.033 32.500 -0.229 0.000 0.807 467 K HN 0.148 nan 8.250 nan 0.000 0.497 468 Q N -0.463 118.822 119.800 -0.859 0.000 3.230 468 Q HA 0.161 4.501 4.340 -0.000 0.000 0.303 468 Q C -2.382 172.815 176.000 -1.339 0.000 0.884 468 Q CA -1.459 53.408 55.803 -1.560 0.000 0.859 468 Q CB 1.397 29.437 28.738 -1.164 0.000 1.432 468 Q HN -0.086 nan 8.270 nan 0.000 0.403 469 P HA -0.198 nan 4.420 nan 0.000 0.215 469 P C 0.643 177.756 177.300 -0.313 0.000 1.153 469 P CA 1.201 64.003 63.100 -0.497 0.000 0.853 469 P CB -0.056 31.425 31.700 -0.364 0.000 0.788 470 W N -0.248 120.983 121.300 -0.115 0.000 2.392 470 W HA -0.018 4.642 4.660 -0.000 0.000 0.279 470 W C 0.656 177.171 176.519 -0.006 0.000 1.225 470 W CA -0.070 57.242 57.345 -0.055 0.000 1.233 470 W CB -2.069 27.345 29.460 -0.076 0.000 1.122 470 W HN -0.108 nan 8.180 nan 0.000 0.561 471 Q N 2.058 121.703 119.800 -0.258 0.000 2.263 471 Q HA 0.346 4.686 4.340 -0.000 0.000 0.289 471 Q C -0.385 175.686 176.000 0.118 0.000 1.061 471 Q CA 0.797 56.567 55.803 -0.055 0.000 0.927 471 Q CB 0.626 29.147 28.738 -0.361 0.000 1.154 471 Q HN 0.304 nan 8.270 nan 0.000 0.378 472 A N 4.539 127.456 122.820 0.162 0.000 2.374 472 A HA 0.662 4.982 4.320 -0.000 0.000 0.317 472 A C -1.110 176.564 177.584 0.150 0.000 1.094 472 A CA -0.775 51.361 52.037 0.166 0.000 0.765 472 A CB 1.333 20.423 19.000 0.149 0.000 1.268 472 A HN 0.660 nan 8.150 nan 0.000 0.438 473 K N 2.405 122.890 120.400 0.141 0.000 2.425 473 K HA 0.621 4.941 4.320 -0.000 0.000 0.259 473 K C -1.457 175.200 176.600 0.095 0.000 0.978 473 K CA -0.232 56.124 56.287 0.116 0.000 0.883 473 K CB 0.699 33.275 32.500 0.126 0.000 1.110 473 K HN 0.684 nan 8.250 nan 0.000 0.436 474 I N 2.328 122.953 120.570 0.092 0.000 2.412 474 I HA 0.294 4.464 4.170 -0.000 0.000 0.296 474 I C -0.368 175.792 176.117 0.073 0.000 0.987 474 I CA -0.629 60.733 61.300 0.104 0.000 1.180 474 I CB 2.065 40.154 38.000 0.148 0.000 1.340 474 I HN 0.492 nan 8.210 nan 0.000 0.455 475 S N 4.392 120.147 115.700 0.093 0.000 2.541 475 S HA 0.610 5.080 4.470 -0.000 0.000 0.280 475 S C -0.752 173.922 174.600 0.124 0.000 1.112 475 S CA -0.626 57.626 58.200 0.087 0.000 0.925 475 S CB 2.499 65.743 63.200 0.072 0.000 1.067 475 S HN 0.281 nan 8.310 nan 0.000 0.479 476 V N 3.432 123.420 119.914 0.123 0.000 2.409 476 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 476 V C -0.226 175.950 176.094 0.138 0.000 1.017 476 V CA -0.620 61.759 62.300 0.131 0.000 0.841 476 V CB 1.393 33.281 31.823 0.109 0.000 1.003 476 V HN 0.896 nan 8.190 nan 0.000 0.426 477 I N 5.940 126.594 120.570 0.141 0.000 2.441 477 I HA 0.484 4.654 4.170 -0.000 0.000 0.287 477 I C 0.097 176.189 176.117 -0.042 0.000 1.049 477 I CA 0.008 61.361 61.300 0.088 0.000 1.381 477 I CB 0.306 38.411 38.000 0.175 0.000 1.409 477 I HN 0.641 nan 8.210 nan 0.000 0.523 478 R N 6.205 126.600 120.500 -0.174 0.000 2.795 478 R HA 0.439 4.779 4.340 -0.000 0.000 0.275 478 R C -2.540 173.697 176.300 -0.105 0.000 0.981 478 R CA -1.806 54.232 56.100 -0.102 0.000 0.917 478 R CB 1.211 31.463 30.300 -0.080 0.000 1.202 478 R HN 0.390 nan 8.270 nan 0.000 0.469 479 P HA -0.050 nan 4.420 nan 0.000 0.254 479 P C 0.102 177.383 177.300 -0.031 0.000 1.467 479 P CA 0.782 63.870 63.100 -0.020 0.000 1.281 479 P CB 0.238 31.940 31.700 0.004 0.000 1.754 480 S N 1.867 117.538 115.700 -0.048 0.000 2.868 480 S HA -0.295 4.175 4.470 -0.000 0.000 0.270 480 S C 1.659 176.236 174.600 -0.039 0.000 1.300 480 S CA 1.962 60.142 58.200 -0.033 0.000 1.362 480 S CB -1.130 62.066 63.200 -0.006 0.000 1.685 480 S HN 0.411 nan 8.310 nan 0.000 0.682 481 K N 1.248 121.616 120.400 -0.053 0.000 2.288 481 K HA 0.373 4.693 4.320 -0.000 0.000 0.201 481 K C 1.183 177.755 176.600 -0.047 0.000 1.048 481 K CA 1.779 58.044 56.287 -0.036 0.000 0.956 481 K CB -0.330 32.154 32.500 -0.026 0.000 0.746 481 K HN 1.250 nan 8.250 nan 0.000 0.461 482 G N -1.205 107.524 108.800 -0.119 0.000 2.316 482 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.349 482 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.349 482 G C -1.658 173.069 174.900 -0.288 0.000 1.274 482 G CA -0.741 44.289 45.100 -0.115 0.000 1.018 482 G HN 0.204 nan 8.290 nan 0.000 0.486 483 H N 0.390 119.479 119.070 0.033 0.000 2.529 483 H HA 0.561 5.117 4.556 -0.000 0.000 0.348 483 H C -0.656 174.688 175.328 0.027 0.000 1.079 483 H CA -0.493 55.573 56.048 0.031 0.000 1.198 483 H CB 2.207 31.987 29.762 0.030 0.000 1.521 483 H HN 0.558 nan 8.280 nan 0.000 0.514 484 E N 1.717 121.986 120.200 0.114 0.000 2.194 484 E HA 0.130 4.480 4.350 -0.000 0.000 0.284 484 E C -0.665 175.962 176.600 0.045 0.000 1.035 484 E CA -0.326 56.106 56.400 0.054 0.000 0.836 484 E CB 0.810 30.505 29.700 -0.007 0.000 1.070 484 E HN 0.432 nan 8.360 nan 0.000 0.401 485 S N 4.583 120.307 115.700 0.040 0.000 2.520 485 S HA 0.511 4.981 4.470 -0.000 0.000 0.324 485 S C -0.943 173.663 174.600 0.009 0.000 1.069 485 S CA -0.639 57.581 58.200 0.033 0.000 1.121 485 S CB -0.280 62.950 63.200 0.050 0.000 0.971 485 S HN 0.622 nan 8.310 nan 0.000 0.463 486 c N 4.585 123.173 118.600 -0.021 0.000 3.028 486 c HA 0.720 5.290 4.570 -0.000 0.000 0.338 486 c C -0.217 173.883 174.090 0.017 0.000 1.366 486 c CA -0.825 55.483 56.329 -0.035 0.000 1.610 486 c CB 1.736 44.147 42.510 -0.166 0.000 2.063 486 c HN 0.826 nan 8.230 nan 0.000 0.463 487 M N 0.370 119.992 119.600 0.037 0.000 2.658 487 M HA 0.696 5.176 4.480 -0.000 0.000 0.295 487 M C -0.017 176.344 176.300 0.102 0.000 1.248 487 M CA -0.074 55.276 55.300 0.082 0.000 0.843 487 M CB 2.488 35.146 32.600 0.097 0.000 1.749 487 M HN 0.944 nan 8.290 nan 0.000 0.464 488 G N 0.156 109.037 108.800 0.135 0.000 2.749 488 G HA2 0.868 4.828 3.960 -0.000 0.000 0.300 488 G HA3 0.868 4.828 3.960 -0.000 0.000 0.300 488 G C -2.343 172.668 174.900 0.186 0.000 1.352 488 G CA -0.584 44.609 45.100 0.155 0.000 0.789 488 G HN 0.858 nan 8.290 nan 0.000 0.509 489 A N -0.775 122.158 122.820 0.187 0.000 2.414 489 A HA 0.697 5.017 4.320 -0.000 0.000 0.306 489 A C -0.718 176.984 177.584 0.198 0.000 1.054 489 A CA -0.513 51.658 52.037 0.223 0.000 0.724 489 A CB 1.893 20.996 19.000 0.172 0.000 1.267 489 A HN 1.258 nan 8.150 nan 0.000 0.418 490 V N 3.577 123.625 119.914 0.224 0.000 2.415 490 V HA 0.168 4.288 4.120 -0.000 0.000 0.267 490 V C 1.393 177.597 176.094 0.184 0.000 1.042 490 V CA 0.623 63.045 62.300 0.204 0.000 1.000 490 V CB 0.566 32.516 31.823 0.211 0.000 1.015 490 V HN 1.040 nan 8.190 nan 0.000 0.478 491 V N 2.182 122.205 119.914 0.181 0.000 3.307 491 V HA 0.276 4.396 4.120 -0.000 0.000 0.253 491 V C 0.798 176.997 176.094 0.175 0.000 1.149 491 V CA 1.058 63.441 62.300 0.138 0.000 1.112 491 V CB 0.183 32.077 31.823 0.118 0.000 0.777 491 V HN 0.823 nan 8.190 nan 0.000 0.464 492 S N -0.733 115.126 115.700 0.266 0.000 2.880 492 S HA 0.436 4.906 4.470 -0.000 0.000 0.308 492 S C 0.297 175.111 174.600 0.356 0.000 1.195 492 S CA -0.109 58.289 58.200 0.330 0.000 0.866 492 S CB 1.376 64.797 63.200 0.368 0.000 1.254 492 S HN 0.190 nan 8.310 nan 0.000 0.571 493 E N -0.590 119.796 120.200 0.309 0.000 2.427 493 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 493 E C 0.128 176.650 176.600 -0.130 0.000 1.028 493 E CA 0.848 57.263 56.400 0.025 0.000 0.864 493 E CB -0.120 29.563 29.700 -0.029 0.000 0.813 493 E HN 0.622 nan 8.360 nan 0.000 0.514 494 Y N -1.903 118.388 120.300 -0.015 0.000 2.494 494 Y HA 0.208 4.758 4.550 -0.000 0.000 0.271 494 Y C 0.249 175.943 175.900 -0.343 0.000 1.113 494 Y CA -0.341 57.622 58.100 -0.227 0.000 1.240 494 Y CB 0.821 39.052 38.460 -0.381 0.000 1.268 494 Y HN -0.146 nan 8.280 nan 0.000 0.510 495 F N -0.182 119.860 119.950 0.153 0.000 2.432 495 F HA 0.600 5.127 4.527 -0.000 0.000 0.329 495 F C -0.280 175.568 175.800 0.080 0.000 1.076 495 F CA -1.321 56.731 58.000 0.088 0.000 1.018 495 F CB 1.481 40.513 39.000 0.053 0.000 1.201 495 F HN -0.542 nan 8.300 nan 0.000 0.489 496 V N 4.114 124.183 119.914 0.259 0.000 2.398 496 V HA 0.214 4.334 4.120 -0.000 0.000 0.282 496 V C -0.795 175.415 176.094 0.193 0.000 1.014 496 V CA -0.695 61.721 62.300 0.192 0.000 0.838 496 V CB 1.391 33.297 31.823 0.137 0.000 1.018 496 V HN 0.506 nan 8.190 nan 0.000 0.432 497 L N 5.057 126.391 121.223 0.186 0.000 2.410 497 L HA 0.640 4.980 4.340 -0.000 0.000 0.273 497 L C 0.291 177.266 176.870 0.174 0.000 1.144 497 L CA 1.596 56.545 54.840 0.181 0.000 0.863 497 L CB 0.987 43.139 42.059 0.155 0.000 1.140 497 L HN 0.827 nan 8.230 nan 0.000 0.463 498 T N 3.399 118.063 114.554 0.184 0.000 2.681 498 T HA 0.800 5.150 4.350 -0.000 0.000 0.296 498 T C -0.798 173.985 174.700 0.138 0.000 1.157 498 T CA -0.111 62.087 62.100 0.163 0.000 1.025 498 T CB 0.996 69.983 68.868 0.198 0.000 1.441 498 T HN 0.895 nan 8.240 nan 0.000 0.504 499 A N 0.301 123.167 122.820 0.077 0.000 2.366 499 A HA 0.693 5.013 4.320 -0.000 0.000 0.249 499 A C 1.293 178.877 177.584 -0.000 0.000 1.084 499 A CA 0.344 52.408 52.037 0.045 0.000 0.794 499 A CB -0.092 18.900 19.000 -0.013 0.000 1.034 499 A HN 1.226 nan 8.150 nan 0.000 0.491 500 A N -0.171 122.645 122.820 -0.007 0.000 2.220 500 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 500 A C 1.491 179.086 177.584 0.018 0.000 1.176 500 A CA 0.906 52.881 52.037 -0.104 0.000 0.834 500 A CB -0.569 18.094 19.000 -0.562 0.000 0.868 500 A HN 0.997 nan 8.150 nan 0.000 0.488 501 H N -2.396 116.744 119.070 0.117 0.000 2.548 501 H HA 0.051 4.607 4.556 -0.000 0.000 0.265 501 H C 1.406 176.793 175.328 0.099 0.000 0.969 501 H CA 0.956 57.155 56.048 0.252 0.000 1.155 501 H CB -0.683 29.324 29.762 0.409 0.000 1.394 501 H HN 0.350 nan 8.280 nan 0.000 0.570 502 c N 0.869 119.138 118.600 -0.552 0.000 2.456 502 c HA 0.117 4.687 4.570 -0.000 0.000 0.279 502 c C 0.515 174.172 174.090 -0.722 0.000 1.427 502 c CA 0.207 56.081 56.329 -0.758 0.000 1.778 502 c CB -1.332 40.494 42.510 -1.139 0.000 1.842 502 c HN 0.326 nan 8.230 nan 0.000 0.531 503 F N -1.127 118.910 119.950 0.145 0.000 2.631 503 F HA 0.581 5.108 4.527 0.000 0.000 0.328 503 F C 0.220 176.188 175.800 0.281 0.000 1.067 503 F CA -0.675 57.467 58.000 0.236 0.000 0.969 503 F CB 0.805 39.993 39.000 0.314 0.000 1.332 503 F HN -0.331 nan 8.300 nan 0.000 0.490 504 T N -0.923 113.868 114.554 0.396 0.000 2.865 504 T HA 0.414 4.764 4.350 -0.000 0.000 0.294 504 T C 0.464 175.225 174.700 0.102 0.000 1.119 504 T CA -0.532 61.673 62.100 0.174 0.000 1.007 504 T CB 1.601 70.538 68.868 0.115 0.000 1.225 504 T HN 0.338 nan 8.240 nan 0.000 0.515 505 V N 2.145 122.040 119.914 -0.032 0.000 2.720 505 V HA -0.053 4.067 4.120 -0.000 0.000 0.256 505 V C 1.842 177.956 176.094 0.033 0.000 1.082 505 V CA 1.821 64.102 62.300 -0.032 0.000 1.101 505 V CB -0.543 31.239 31.823 -0.069 0.000 0.693 505 V HN 0.750 nan 8.190 nan 0.000 0.479 506 D N -0.637 119.790 120.400 0.044 0.000 2.194 506 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 506 D C 0.650 176.985 176.300 0.058 0.000 0.964 506 D CA 0.562 54.591 54.000 0.047 0.000 0.846 506 D CB -0.266 40.558 40.800 0.039 0.000 0.962 506 D HN 0.391 nan 8.370 nan 0.000 0.490 507 D N 2.197 122.647 120.400 0.084 0.000 2.412 507 D HA 0.029 4.669 4.640 -0.000 0.000 0.257 507 D C 0.677 176.999 176.300 0.037 0.000 1.217 507 D CA 0.430 54.473 54.000 0.071 0.000 0.897 507 D CB 0.778 41.673 40.800 0.159 0.000 1.132 507 D HN -0.104 nan 8.370 nan 0.000 0.493 508 K N 2.282 122.643 120.400 -0.065 0.000 2.098 508 K HA 0.133 4.453 4.320 -0.000 0.000 0.244 508 K C 1.114 177.630 176.600 -0.140 0.000 1.014 508 K CA -0.503 55.739 56.287 -0.075 0.000 0.917 508 K CB 0.800 33.289 32.500 -0.017 0.000 1.072 508 K HN 0.169 nan 8.250 nan 0.000 0.477 509 E N 0.373 120.555 120.200 -0.031 0.000 2.153 509 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 509 E C 1.612 178.204 176.600 -0.013 0.000 0.988 509 E CA 1.579 57.969 56.400 -0.017 0.000 0.811 509 E CB -0.436 29.279 29.700 0.025 0.000 0.746 509 E HN 0.647 nan 8.360 nan 0.000 0.466 510 H N -1.272 117.819 119.070 0.035 0.000 2.491 510 H HA 0.090 4.646 4.556 -0.000 0.000 0.290 510 H C 1.388 176.747 175.328 0.050 0.000 1.050 510 H CA 1.310 57.379 56.048 0.035 0.000 1.309 510 H CB -0.178 29.602 29.762 0.030 0.000 1.392 510 H HN 0.097 nan 8.280 nan 0.000 0.554 511 S N 0.231 115.691 115.700 -0.400 0.000 2.572 511 S HA 0.263 4.733 4.470 -0.000 0.000 0.228 511 S C 0.243 174.830 174.600 -0.022 0.000 0.963 511 S CA -0.633 57.457 58.200 -0.183 0.000 0.939 511 S CB -0.328 62.709 63.200 -0.272 0.000 0.804 511 S HN 0.349 nan 8.310 nan 0.000 0.480 512 I N 2.186 122.759 120.570 0.005 0.000 2.439 512 I HA 0.456 4.626 4.170 -0.000 0.000 0.283 512 I C -0.821 175.340 176.117 0.074 0.000 1.023 512 I CA -0.654 60.698 61.300 0.086 0.000 1.100 512 I CB 1.546 39.604 38.000 0.097 0.000 1.238 512 I HN -0.089 nan 8.210 nan 0.000 0.445 513 K N 5.919 126.373 120.400 0.091 0.000 2.292 513 K HA 0.665 4.985 4.320 -0.000 0.000 0.257 513 K C -0.820 175.824 176.600 0.074 0.000 0.940 513 K CA -0.761 55.565 56.287 0.066 0.000 0.811 513 K CB 2.952 35.485 32.500 0.054 0.000 1.120 513 K HN 0.238 nan 8.250 nan 0.000 0.428 514 V N 0.956 120.901 119.914 0.051 0.000 2.555 514 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 514 V C -0.141 175.968 176.094 0.025 0.000 1.038 514 V CA -0.752 61.581 62.300 0.055 0.000 0.887 514 V CB 1.888 33.744 31.823 0.054 0.000 0.991 514 V HN 0.770 nan 8.190 nan 0.000 0.434 515 S N 3.292 119.009 115.700 0.029 0.000 2.557 515 S HA 0.842 5.312 4.470 -0.000 0.000 0.291 515 S C -0.837 173.760 174.600 -0.004 0.000 1.116 515 S CA -0.454 57.741 58.200 -0.009 0.000 0.992 515 S CB 1.484 64.671 63.200 -0.022 0.000 1.028 515 S HN 1.074 nan 8.310 nan 0.000 0.484 516 V N 1.670 121.551 119.914 -0.055 0.000 3.102 516 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 516 V C 1.049 177.015 176.094 -0.214 0.000 1.135 516 V CA -0.094 62.178 62.300 -0.046 0.000 1.022 516 V CB 0.690 32.520 31.823 0.012 0.000 1.056 516 V HN 1.643 nan 8.190 nan 0.000 0.436 517 G N 0.066 108.729 108.800 -0.228 0.000 2.186 517 G HA2 0.039 3.999 3.960 -0.000 0.000 0.266 517 G HA3 0.039 3.999 3.960 -0.000 0.000 0.266 517 G C 1.682 176.064 174.900 -0.864 0.000 0.982 517 G CA 1.215 46.094 45.100 -0.368 0.000 0.670 517 G HN 2.905 nan 8.290 nan 0.000 0.533 518 G N -1.018 106.878 108.800 -1.508 0.000 2.162 518 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 518 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 518 G C 0.178 174.782 174.900 -0.494 0.000 0.976 518 G CA 0.966 45.304 45.100 -1.271 0.000 0.655 518 G HN 1.078 nan 8.290 nan 0.000 0.533 519 E N 0.070 120.050 120.200 -0.367 0.000 2.452 519 E HA 0.169 4.519 4.350 -0.000 0.000 0.261 519 E C 1.369 177.879 176.600 -0.151 0.000 0.987 519 E CA 0.398 56.676 56.400 -0.203 0.000 0.926 519 E CB 0.727 30.333 29.700 -0.157 0.000 0.934 519 E HN 0.389 nan 8.360 nan 0.000 0.452 520 K N 3.726 124.064 120.400 -0.105 0.000 2.097 520 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 520 K C 0.905 177.471 176.600 -0.057 0.000 1.050 520 K CA 0.756 57.000 56.287 -0.072 0.000 0.938 520 K CB 0.144 32.612 32.500 -0.053 0.000 0.718 520 K HN 0.440 nan 8.250 nan 0.000 0.442 521 R N 0.789 121.254 120.500 -0.058 0.000 2.726 521 R HA 0.095 4.435 4.340 -0.000 0.000 0.272 521 R C -0.966 175.309 176.300 -0.042 0.000 1.097 521 R CA -0.292 55.782 56.100 -0.044 0.000 1.198 521 R CB 0.376 30.650 30.300 -0.044 0.000 1.114 521 R HN -0.124 nan 8.270 nan 0.000 0.550 522 D N 1.169 121.553 120.400 -0.026 0.000 2.256 522 D HA 0.318 4.958 4.640 -0.000 0.000 0.246 522 D C -0.354 175.935 176.300 -0.019 0.000 1.042 522 D CA -0.510 53.480 54.000 -0.016 0.000 0.841 522 D CB 1.581 42.382 40.800 0.002 0.000 1.223 522 D HN 0.370 nan 8.370 nan 0.000 0.470 523 L N 1.234 122.445 121.223 -0.021 0.000 2.350 523 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 523 L C 0.845 177.704 176.870 -0.018 0.000 1.099 523 L CA -0.539 54.282 54.840 -0.031 0.000 0.808 523 L CB 0.683 42.715 42.059 -0.046 0.000 1.149 523 L HN 0.145 nan 8.230 nan 0.000 0.442 524 E N 3.444 123.630 120.200 -0.023 0.000 2.229 524 E HA 0.301 4.651 4.350 -0.000 0.000 0.283 524 E C -0.404 176.181 176.600 -0.025 0.000 1.030 524 E CA -0.405 55.988 56.400 -0.012 0.000 0.836 524 E CB 1.567 31.263 29.700 -0.006 0.000 1.068 524 E HN 0.426 nan 8.360 nan 0.000 0.401 525 I N -0.474 120.083 120.570 -0.022 0.000 2.677 525 I HA 0.243 4.413 4.170 -0.000 0.000 0.305 525 I C 0.840 176.936 176.117 -0.036 0.000 0.988 525 I CA -0.375 60.900 61.300 -0.043 0.000 1.260 525 I CB 1.478 39.441 38.000 -0.060 0.000 1.410 525 I HN 0.607 nan 8.210 nan 0.000 0.523 526 E N 2.931 123.100 120.200 -0.051 0.000 2.162 526 E HA 0.210 4.560 4.350 -0.000 0.000 0.193 526 E C -0.279 176.302 176.600 -0.031 0.000 0.953 526 E CA 0.284 56.663 56.400 -0.035 0.000 0.849 526 E CB 1.108 30.782 29.700 -0.043 0.000 0.810 526 E HN 0.554 nan 8.360 nan 0.000 0.470 527 V N 0.536 120.419 119.914 -0.052 0.000 3.108 527 V HA 0.265 4.385 4.120 -0.000 0.000 0.287 527 V C -1.770 174.274 176.094 -0.083 0.000 1.436 527 V CA -0.861 61.416 62.300 -0.039 0.000 1.001 527 V CB 2.126 33.951 31.823 0.004 0.000 1.141 527 V HN -0.072 nan 8.190 nan 0.000 0.443 528 V N 6.871 126.708 119.914 -0.128 0.000 2.350 528 V HA 0.480 4.600 4.120 -0.000 0.000 0.276 528 V C -0.004 175.984 176.094 -0.177 0.000 1.028 528 V CA -0.421 61.703 62.300 -0.293 0.000 0.860 528 V CB 1.350 32.799 31.823 -0.625 0.000 0.990 528 V HN 0.665 nan 8.190 nan 0.000 0.453 529 L N 6.172 127.344 121.223 -0.085 0.000 2.259 529 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 529 L C -0.424 176.535 176.870 0.148 0.000 1.051 529 L CA -0.061 54.863 54.840 0.141 0.000 0.824 529 L CB 0.323 42.538 42.059 0.259 0.000 1.206 529 L HN 0.445 nan 8.230 nan 0.000 0.429 530 F N 1.485 121.538 119.950 0.172 0.000 2.382 530 F HA 0.233 4.760 4.527 -0.000 0.000 0.331 530 F C 1.113 176.858 175.800 -0.091 0.000 1.121 530 F CA -0.324 57.694 58.000 0.030 0.000 1.183 530 F CB 0.404 39.414 39.000 0.017 0.000 1.207 530 F HN 0.399 nan 8.300 nan 0.000 0.555 531 H N 3.880 122.739 119.070 -0.353 0.000 2.803 531 H HA 0.087 4.643 4.556 -0.000 0.000 0.330 531 H C -1.780 173.412 175.328 -0.227 0.000 1.057 531 H CA -1.465 54.131 56.048 -0.753 0.000 1.458 531 H CB 1.506 30.784 29.762 -0.806 0.000 1.470 531 H HN 0.283 nan 8.280 nan 0.000 0.560 532 P HA -0.140 nan 4.420 nan 0.000 0.217 532 P C 0.299 177.552 177.300 -0.080 0.000 1.148 532 P CA 1.399 64.363 63.100 -0.228 0.000 0.828 532 P CB 0.351 31.866 31.700 -0.308 0.000 0.783 533 N N -2.880 115.835 118.700 0.025 0.000 2.270 533 N HA -0.002 4.738 4.740 -0.000 0.000 0.198 533 N C -0.129 175.501 175.510 0.199 0.000 1.117 533 N CA -0.142 52.933 53.050 0.040 0.000 0.845 533 N CB -0.683 37.608 38.487 -0.326 0.000 0.980 533 N HN 0.211 nan 8.380 nan 0.000 0.486 534 Y N 1.763 122.147 120.300 0.139 0.000 2.584 534 Y HA 0.291 4.841 4.550 -0.000 0.000 0.351 534 Y C -0.371 175.586 175.900 0.094 0.000 1.030 534 Y CA -0.520 57.667 58.100 0.146 0.000 1.332 534 Y CB -0.050 38.508 38.460 0.162 0.000 1.148 534 Y HN -0.086 nan 8.280 nan 0.000 0.528 535 N N 7.166 125.668 118.700 -0.330 0.000 2.609 535 N HA 0.108 4.848 4.740 -0.000 0.000 0.268 535 N C 0.037 175.343 175.510 -0.340 0.000 1.106 535 N CA -0.329 52.531 53.050 -0.316 0.000 0.823 535 N CB 0.453 38.873 38.487 -0.110 0.000 1.263 535 N HN 0.916 nan 8.380 nan 0.000 0.533 536 I N 1.825 122.050 120.570 -0.575 0.000 2.830 536 I HA -0.001 4.169 4.170 -0.000 0.000 0.263 536 I C 0.049 176.024 176.117 -0.237 0.000 1.230 536 I CA 0.746 61.797 61.300 -0.415 0.000 1.480 536 I CB 0.308 38.056 38.000 -0.420 0.000 1.095 536 I HN 0.306 nan 8.210 nan 0.000 0.455 537 N N 0.530 119.104 118.700 -0.209 0.000 2.214 537 N HA 0.162 4.902 4.740 -0.000 0.000 0.214 537 N C 1.105 176.500 175.510 -0.192 0.000 1.132 537 N CA 0.279 53.222 53.050 -0.178 0.000 0.856 537 N CB 0.718 39.120 38.487 -0.143 0.000 1.020 537 N HN 0.244 nan 8.380 nan 0.000 0.509 538 G N -0.091 108.572 108.800 -0.228 0.000 3.279 538 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.230 538 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.230 538 G C 1.018 175.673 174.900 -0.408 0.000 1.230 538 G CA 0.174 45.105 45.100 -0.283 0.000 0.891 538 G HN -0.031 nan 8.290 nan 0.000 0.518 539 K N -0.218 119.969 120.400 -0.354 0.000 2.586 539 K HA 0.144 4.464 4.320 -0.000 0.000 0.198 539 K C 1.454 177.914 176.600 -0.233 0.000 1.170 539 K CA -0.213 55.864 56.287 -0.351 0.000 1.069 539 K CB 0.488 32.728 32.500 -0.434 0.000 0.944 539 K HN 0.207 nan 8.250 nan 0.000 0.572 540 K N 1.023 121.306 120.400 -0.194 0.000 2.209 540 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 540 K C 1.691 178.212 176.600 -0.132 0.000 1.048 540 K CA 1.095 57.290 56.287 -0.154 0.000 0.940 540 K CB 0.304 32.726 32.500 -0.131 0.000 0.729 540 K HN 0.241 nan 8.250 nan 0.000 0.451 541 E N 1.057 121.178 120.200 -0.132 0.000 2.072 541 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 541 E C 1.698 178.236 176.600 -0.105 0.000 0.982 541 E CA 0.828 57.164 56.400 -0.108 0.000 0.803 541 E CB 0.019 29.658 29.700 -0.102 0.000 0.755 541 E HN 0.278 nan 8.360 nan 0.000 0.453 542 A N -0.012 122.733 122.820 -0.124 0.000 2.235 542 A HA 0.178 4.498 4.320 -0.000 0.000 0.208 542 A C 1.623 179.142 177.584 -0.108 0.000 1.172 542 A CA 1.027 52.999 52.037 -0.110 0.000 0.786 542 A CB -0.420 18.507 19.000 -0.121 0.000 0.804 542 A HN 0.503 nan 8.150 nan 0.000 0.479 543 G N -1.039 107.688 108.800 -0.122 0.000 2.131 543 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.223 543 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.223 543 G C -0.033 174.766 174.900 -0.168 0.000 0.990 543 G CA 0.111 45.136 45.100 -0.124 0.000 0.671 543 G HN 0.553 nan 8.290 nan 0.000 0.521 544 I N 0.527 120.976 120.570 -0.200 0.000 2.337 544 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 544 I C -1.113 174.833 176.117 -0.286 0.000 1.041 544 I CA -2.505 58.623 61.300 -0.285 0.000 1.199 544 I CB 1.690 39.541 38.000 -0.247 0.000 1.370 544 I HN -0.157 nan 8.210 nan 0.000 0.470 545 P HA -0.115 nan 4.420 nan 0.000 0.214 545 P C 0.011 177.152 177.300 -0.265 0.000 1.163 545 P CA 1.437 64.390 63.100 -0.245 0.000 0.883 545 P CB 0.230 31.800 31.700 -0.218 0.000 0.788 546 E N -0.935 119.054 120.200 -0.352 0.000 2.204 546 E HA 0.399 4.749 4.350 -0.000 0.000 0.276 546 E C -0.947 175.491 176.600 -0.270 0.000 0.974 546 E CA -0.634 55.542 56.400 -0.375 0.000 0.815 546 E CB 1.276 30.807 29.700 -0.282 0.000 1.119 546 E HN -0.014 nan 8.360 nan 0.000 0.393 547 F N 2.258 121.882 119.950 -0.544 0.000 3.094 547 F HA 0.207 4.734 4.527 -0.000 0.000 0.385 547 F C -0.882 174.736 175.800 -0.303 0.000 1.231 547 F CA -0.561 57.240 58.000 -0.331 0.000 1.207 547 F CB 0.236 39.092 39.000 -0.241 0.000 1.703 547 F HN 0.344 nan 8.300 nan 0.000 0.610 548 Y N 1.177 121.253 120.300 -0.374 0.000 2.506 548 Y HA 0.097 4.647 4.550 -0.000 0.000 0.333 548 Y C 0.902 176.824 175.900 0.038 0.000 1.177 548 Y CA -0.264 57.784 58.100 -0.086 0.000 1.292 548 Y CB -0.642 37.760 38.460 -0.097 0.000 1.124 548 Y HN 0.379 nan 8.280 nan 0.000 0.507 549 D N -0.497 119.711 120.400 -0.319 0.000 2.424 549 D HA -0.097 4.543 4.640 -0.000 0.000 0.244 549 D C -0.155 176.113 176.300 -0.053 0.000 1.134 549 D CA 0.244 54.029 54.000 -0.358 0.000 0.881 549 D CB 0.255 40.695 40.800 -0.600 0.000 1.191 549 D HN 0.253 nan 8.370 nan 0.000 0.445 550 Y N 0.766 120.917 120.300 -0.249 0.000 3.108 550 Y HA -0.258 4.292 4.550 -0.000 0.000 0.208 550 Y C 0.379 176.249 175.900 -0.050 0.000 1.245 550 Y CA 0.699 58.618 58.100 -0.302 0.000 1.171 550 Y CB -1.518 36.679 38.460 -0.438 0.000 1.331 550 Y HN 0.417 nan 8.280 nan 0.000 0.534 551 D N 1.236 121.720 120.400 0.141 0.000 2.688 551 D HA 0.383 5.023 4.640 -0.000 0.000 0.228 551 D C -0.269 176.092 176.300 0.102 0.000 1.116 551 D CA 0.203 54.374 54.000 0.285 0.000 1.023 551 D CB -0.384 40.709 40.800 0.489 0.000 1.100 551 D HN 0.192 nan 8.370 nan 0.000 0.487 552 V N -1.136 118.752 119.914 -0.043 0.000 2.962 552 V HA 1.014 5.133 4.120 -0.000 0.000 0.313 552 V C -0.617 175.387 176.094 -0.150 0.000 1.099 552 V CA -1.130 61.138 62.300 -0.053 0.000 0.971 552 V CB 1.525 33.328 31.823 -0.032 0.000 1.028 552 V HN 0.249 nan 8.190 nan 0.000 0.430 553 A N 3.347 126.191 122.820 0.040 0.000 2.574 553 A HA 0.873 5.193 4.320 -0.000 0.000 0.297 553 A C -1.477 176.269 177.584 0.269 0.000 1.062 553 A CA -0.659 51.416 52.037 0.063 0.000 0.686 553 A CB 1.727 20.560 19.000 -0.277 0.000 1.285 553 A HN 1.033 nan 8.150 nan 0.000 0.403 554 L N 1.593 123.008 121.223 0.321 0.000 2.334 554 L HA 0.617 4.957 4.340 -0.000 0.000 0.273 554 L C -0.769 176.167 176.870 0.111 0.000 1.013 554 L CA -0.576 54.401 54.840 0.229 0.000 0.816 554 L CB 1.864 44.011 42.059 0.147 0.000 1.278 554 L HN 0.619 nan 8.230 nan 0.000 0.431 555 I N 3.062 123.711 120.570 0.132 0.000 2.405 555 I HA 0.238 4.408 4.170 -0.000 0.000 0.280 555 I C -0.143 175.964 176.117 -0.016 0.000 1.027 555 I CA -0.521 60.779 61.300 -0.001 0.000 1.161 555 I CB 1.446 39.418 38.000 -0.047 0.000 1.300 555 I HN 0.498 nan 8.210 nan 0.000 0.463 556 K N 7.532 127.861 120.400 -0.119 0.000 2.316 556 K HA 0.423 4.743 4.320 -0.000 0.000 0.289 556 K C -0.440 176.025 176.600 -0.225 0.000 1.070 556 K CA -0.430 55.597 56.287 -0.433 0.000 0.928 556 K CB 0.650 32.863 32.500 -0.477 0.000 1.039 556 K HN 0.556 nan 8.250 nan 0.000 0.480 557 L N 3.875 124.982 121.223 -0.194 0.000 2.472 557 L HA 0.123 4.462 4.340 -0.000 0.000 0.260 557 L C 1.578 178.415 176.870 -0.055 0.000 1.209 557 L CA -0.044 54.725 54.840 -0.119 0.000 0.817 557 L CB 0.521 42.483 42.059 -0.162 0.000 1.106 557 L HN 0.717 nan 8.230 nan 0.000 0.479 558 K N 0.326 120.694 120.400 -0.054 0.000 2.314 558 K HA 0.063 4.383 4.320 -0.000 0.000 0.198 558 K C -0.074 176.514 176.600 -0.019 0.000 1.045 558 K CA 0.415 56.694 56.287 -0.014 0.000 0.988 558 K CB 0.336 32.825 32.500 -0.020 0.000 0.783 558 K HN 0.539 nan 8.250 nan 0.000 0.484 559 N N 0.998 119.624 118.700 -0.124 0.000 2.272 559 N HA 0.113 4.853 4.740 -0.000 0.000 0.305 559 N C -1.532 173.683 175.510 -0.492 0.000 1.103 559 N CA -0.558 52.371 53.050 -0.202 0.000 0.791 559 N CB 1.859 40.257 38.487 -0.148 0.000 1.356 559 N HN -0.035 nan 8.380 nan 0.000 0.486 560 K N 1.500 121.555 120.400 -0.575 0.000 2.368 560 K HA 0.263 4.583 4.320 -0.000 0.000 0.282 560 K C -0.471 175.835 176.600 -0.490 0.000 1.035 560 K CA -0.282 55.510 56.287 -0.824 0.000 0.973 560 K CB 0.441 32.653 32.500 -0.480 0.000 0.957 560 K HN 0.448 nan 8.250 nan 0.000 0.474 561 L N 4.443 125.363 121.223 -0.506 0.000 2.331 561 L HA 0.179 4.519 4.340 -0.000 0.000 0.278 561 L C -0.044 176.563 176.870 -0.439 0.000 1.106 561 L CA -0.518 54.097 54.840 -0.375 0.000 0.824 561 L CB 0.804 42.689 42.059 -0.290 0.000 1.142 561 L HN 0.461 nan 8.230 nan 0.000 0.443 562 K N 3.534 123.768 120.400 -0.277 0.000 2.250 562 K HA 0.248 4.568 4.320 -0.000 0.000 0.280 562 K C -0.932 175.600 176.600 -0.114 0.000 1.098 562 K CA -0.290 55.867 56.287 -0.216 0.000 0.916 562 K CB -0.036 32.394 32.500 -0.117 0.000 1.209 562 K HN 0.114 nan 8.250 nan 0.000 0.461 563 Y N 1.037 121.326 120.300 -0.018 0.000 2.721 563 Y HA 0.208 4.758 4.550 -0.000 0.000 0.329 563 Y C 1.438 177.339 175.900 0.001 0.000 1.211 563 Y CA 0.304 58.402 58.100 -0.004 0.000 1.512 563 Y CB -0.044 38.432 38.460 0.027 0.000 1.249 563 Y HN 0.672 nan 8.280 nan 0.000 0.549 564 G N 1.800 110.688 108.800 0.147 0.000 3.243 564 G HA2 0.242 4.202 3.960 -0.000 0.000 0.248 564 G HA3 0.242 4.202 3.960 -0.000 0.000 0.248 564 G C -0.030 174.882 174.900 0.020 0.000 1.267 564 G CA -0.704 44.436 45.100 0.066 0.000 0.906 564 G HN 0.508 nan 8.290 nan 0.000 0.592 565 Q N -0.764 119.009 119.800 -0.044 0.000 2.472 565 Q HA 0.019 4.359 4.340 -0.000 0.000 0.208 565 Q C 2.020 177.746 176.000 -0.457 0.000 0.958 565 Q CA 1.472 57.183 55.803 -0.153 0.000 0.932 565 Q CB 0.218 28.895 28.738 -0.102 0.000 1.007 565 Q HN 0.608 nan 8.270 nan 0.000 0.508 566 T N -3.366 110.968 114.554 -0.366 0.000 2.975 566 T HA 0.308 4.658 4.350 -0.000 0.000 0.257 566 T C 0.565 175.142 174.700 -0.206 0.000 1.003 566 T CA -0.229 61.634 62.100 -0.395 0.000 0.932 566 T CB 0.390 69.053 68.868 -0.343 0.000 1.087 566 T HN -0.024 nan 8.240 nan 0.000 0.512 567 I N 1.784 122.285 120.570 -0.115 0.000 2.448 567 I HA 0.571 4.741 4.170 -0.000 0.000 0.281 567 I C -0.520 175.638 176.117 0.068 0.000 1.027 567 I CA -0.853 60.446 61.300 -0.001 0.000 1.111 567 I CB 1.611 39.640 38.000 0.048 0.000 1.236 567 I HN -0.007 nan 8.210 nan 0.000 0.452 568 R N 5.672 126.168 120.500 -0.006 0.000 2.774 568 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 568 R C -2.832 173.436 176.300 -0.053 0.000 1.000 568 R CA -1.693 54.327 56.100 -0.133 0.000 0.906 568 R CB 2.781 32.990 30.300 -0.150 0.000 1.227 568 R HN 0.194 nan 8.270 nan 0.000 0.468 569 P HA 0.267 nan 4.420 nan 0.000 0.276 569 P C -0.952 176.369 177.300 0.035 0.000 1.261 569 P CA -0.439 62.640 63.100 -0.035 0.000 0.800 569 P CB 0.778 32.400 31.700 -0.130 0.000 1.066 570 I N 0.225 120.803 120.570 0.013 0.000 2.530 570 I HA 0.318 4.488 4.170 -0.000 0.000 0.297 570 I C -0.627 175.413 176.117 -0.128 0.000 1.011 570 I CA -1.078 60.145 61.300 -0.129 0.000 1.107 570 I CB 1.126 38.894 38.000 -0.386 0.000 1.285 570 I HN 0.308 nan 8.210 nan 0.000 0.436 571 c N 6.973 125.487 118.600 -0.142 0.000 2.662 571 c HA 0.303 4.873 4.570 -0.000 0.000 0.420 571 c C 0.309 174.314 174.090 -0.142 0.000 1.314 571 c CA -0.332 55.919 56.329 -0.130 0.000 1.963 571 c CB -0.619 41.823 42.510 -0.113 0.000 2.686 571 c HN 0.501 nan 8.230 nan 0.000 0.609 572 L N 4.336 125.466 121.223 -0.156 0.000 2.334 572 L HA 0.441 4.781 4.340 -0.000 0.000 0.273 572 L C -2.180 174.571 176.870 -0.198 0.000 1.013 572 L CA -1.812 52.936 54.840 -0.153 0.000 0.816 572 L CB 1.438 43.438 42.059 -0.097 0.000 1.278 572 L HN 0.325 nan 8.230 nan 0.000 0.431 573 P HA -0.003 nan 4.420 nan 0.000 0.268 573 P C -0.299 176.868 177.300 -0.221 0.000 1.208 573 P CA -0.192 62.681 63.100 -0.380 0.000 0.777 573 P CB 0.308 31.323 31.700 -1.142 0.000 0.875 574 c N 0.569 119.115 118.600 -0.090 0.000 4.209 574 c HA -0.078 4.492 4.570 -0.000 0.000 0.305 574 c C 0.594 174.646 174.090 -0.065 0.000 1.339 574 c CA 1.219 57.560 56.329 0.020 0.000 2.062 574 c CB -3.114 39.463 42.510 0.112 0.000 1.307 574 c HN 0.850 nan 8.230 nan 0.000 0.706 575 T N -4.043 110.406 114.554 -0.175 0.000 2.912 575 T HA 0.547 4.897 4.350 -0.000 0.000 0.299 575 T C 0.728 175.332 174.700 -0.159 0.000 1.052 575 T CA -0.473 61.448 62.100 -0.298 0.000 0.996 575 T CB 1.526 70.081 68.868 -0.522 0.000 1.070 575 T HN 0.388 nan 8.240 nan 0.000 0.465 576 E N 1.863 121.987 120.200 -0.127 0.000 2.130 576 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 576 E C 2.209 178.764 176.600 -0.075 0.000 0.998 576 E CA 1.398 57.757 56.400 -0.069 0.000 0.806 576 E CB -0.505 29.168 29.700 -0.045 0.000 0.738 576 E HN 0.894 nan 8.360 nan 0.000 0.459 577 G N 0.529 109.265 108.800 -0.108 0.000 2.422 577 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 577 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 577 G C 1.633 176.480 174.900 -0.089 0.000 1.146 577 G CA 1.255 46.298 45.100 -0.095 0.000 0.769 577 G HN 0.188 nan 8.290 nan 0.000 0.547 578 T N 0.809 115.300 114.554 -0.105 0.000 2.857 578 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 578 T C 2.670 177.337 174.700 -0.055 0.000 1.048 578 T CA 1.601 63.650 62.100 -0.085 0.000 1.139 578 T CB -0.378 68.434 68.868 -0.094 0.000 0.874 578 T HN 0.277 nan 8.240 nan 0.000 0.455 579 T N 2.043 116.570 114.554 -0.045 0.000 2.665 579 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 579 T C 2.125 176.809 174.700 -0.027 0.000 1.035 579 T CA 1.123 63.209 62.100 -0.023 0.000 1.151 579 T CB -0.180 68.680 68.868 -0.013 0.000 0.862 579 T HN 0.373 nan 8.240 nan 0.000 0.438 580 R N 0.816 121.294 120.500 -0.036 0.000 2.096 580 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 580 R C 2.828 179.099 176.300 -0.048 0.000 1.127 580 R CA 1.162 57.238 56.100 -0.040 0.000 0.968 580 R CB -0.462 29.807 30.300 -0.051 0.000 0.861 580 R HN 0.375 nan 8.270 nan 0.000 0.440 581 A N 1.231 124.018 122.820 -0.055 0.000 1.933 581 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 581 A C 2.018 179.562 177.584 -0.067 0.000 1.175 581 A CA 1.186 53.184 52.037 -0.065 0.000 0.628 581 A CB -0.405 18.551 19.000 -0.073 0.000 0.814 581 A HN 0.200 nan 8.150 nan 0.000 0.444 582 L N -2.206 118.985 121.223 -0.053 0.000 2.599 582 L HA 0.109 4.449 4.340 -0.000 0.000 0.230 582 L C 0.447 177.298 176.870 -0.031 0.000 1.141 582 L CA 0.080 54.892 54.840 -0.046 0.000 0.877 582 L CB -0.219 41.821 42.059 -0.032 0.000 1.009 582 L HN 0.369 nan 8.230 nan 0.000 0.447 583 R N 0.244 120.727 120.500 -0.028 0.000 3.336 583 R HA -0.142 4.198 4.340 -0.000 0.000 0.260 583 R C -0.749 175.550 176.300 -0.002 0.000 1.032 583 R CA 0.327 56.418 56.100 -0.015 0.000 0.693 583 R CB -2.246 28.048 30.300 -0.011 0.000 1.134 583 R HN 0.277 nan 8.270 nan 0.000 0.433 584 L N 0.022 121.244 121.223 -0.001 0.000 2.352 584 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 584 L C -1.767 175.113 176.870 0.016 0.000 1.034 584 L CA -2.665 52.180 54.840 0.008 0.000 0.806 584 L CB 0.972 43.035 42.059 0.007 0.000 1.244 584 L HN -0.184 nan 8.230 nan 0.000 0.447 585 P HA 0.048 nan 4.420 nan 0.000 0.266 585 P C -2.141 175.175 177.300 0.026 0.000 1.195 585 P CA -0.870 62.249 63.100 0.032 0.000 0.768 585 P CB 0.063 31.784 31.700 0.035 0.000 0.838 586 P HA -0.155 nan 4.420 nan 0.000 0.218 586 P C 0.980 178.295 177.300 0.026 0.000 1.146 586 P CA 1.647 64.762 63.100 0.025 0.000 0.813 586 P CB -0.544 31.173 31.700 0.028 0.000 0.778 587 T N -5.027 109.544 114.554 0.028 0.000 3.361 587 T HA 0.051 4.401 4.350 -0.000 0.000 0.251 587 T C 0.518 175.236 174.700 0.031 0.000 1.131 587 T CA -0.004 62.114 62.100 0.030 0.000 1.001 587 T CB -1.418 67.468 68.868 0.030 0.000 1.003 587 T HN -0.062 nan 8.240 nan 0.000 0.558 588 T N 4.073 118.644 114.554 0.030 0.000 2.779 588 T HA 0.345 4.695 4.350 -0.000 0.000 0.296 588 T C 0.854 175.579 174.700 0.041 0.000 0.938 588 T CA -0.274 61.846 62.100 0.032 0.000 1.119 588 T CB 0.816 69.700 68.868 0.028 0.000 0.891 588 T HN 0.665 nan 8.240 nan 0.000 0.526 589 T N 0.082 114.662 114.554 0.045 0.000 2.849 589 T HA 0.095 4.445 4.350 -0.000 0.000 0.284 589 T C 1.853 176.598 174.700 0.074 0.000 1.004 589 T CA -0.855 61.278 62.100 0.056 0.000 1.021 589 T CB 0.678 69.576 68.868 0.052 0.000 1.013 589 T HN 0.714 nan 8.240 nan 0.000 0.527 590 c N 1.183 119.840 118.600 0.095 0.000 2.413 590 c HA -0.093 4.477 4.570 -0.000 0.000 0.276 590 c C 2.810 176.989 174.090 0.148 0.000 1.248 590 c CA 1.756 58.172 56.329 0.144 0.000 1.742 590 c CB -1.608 40.997 42.510 0.158 0.000 2.017 590 c HN 1.086 nan 8.230 nan 0.000 0.481 591 Q N 0.618 120.474 119.800 0.094 0.000 2.135 591 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 591 Q C 2.170 178.178 176.000 0.014 0.000 0.981 591 Q CA 2.072 57.904 55.803 0.050 0.000 0.856 591 Q CB -0.520 28.241 28.738 0.039 0.000 0.902 591 Q HN 0.803 nan 8.270 nan 0.000 0.425 592 Q N -0.699 119.119 119.800 0.029 0.000 2.167 592 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 592 Q C 2.181 178.185 176.000 0.007 0.000 0.970 592 Q CA 1.293 57.102 55.803 0.010 0.000 0.855 592 Q CB -0.034 28.716 28.738 0.019 0.000 0.911 592 Q HN 0.539 nan 8.270 nan 0.000 0.438 593 Q N 0.626 120.458 119.800 0.054 0.000 2.119 593 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 593 Q C 1.957 177.965 176.000 0.012 0.000 0.972 593 Q CA 0.977 56.836 55.803 0.092 0.000 0.847 593 Q CB -0.014 28.848 28.738 0.206 0.000 0.903 593 Q HN 0.210 nan 8.270 nan 0.000 0.433 594 K N 1.040 121.345 120.400 -0.158 0.000 2.097 594 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 594 K C 1.560 177.948 176.600 -0.354 0.000 1.050 594 K CA 1.104 56.994 56.287 -0.661 0.000 0.938 594 K CB 0.183 32.193 32.500 -0.816 0.000 0.718 594 K HN 0.181 nan 8.250 nan 0.000 0.442 595 E N 0.052 120.141 120.200 -0.184 0.000 2.204 595 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 595 E C 1.712 178.255 176.600 -0.095 0.000 0.989 595 E CA 0.957 57.285 56.400 -0.121 0.000 0.824 595 E CB 0.147 29.803 29.700 -0.074 0.000 0.756 595 E HN 0.316 nan 8.360 nan 0.000 0.477 596 E N 1.208 121.360 120.200 -0.080 0.000 2.030 596 E HA -0.083 4.267 4.350 -0.000 0.000 0.189 596 E C 1.956 178.521 176.600 -0.059 0.000 0.974 596 E CA 0.802 57.170 56.400 -0.053 0.000 0.807 596 E CB -0.191 29.493 29.700 -0.026 0.000 0.771 596 E HN 0.127 nan 8.360 nan 0.000 0.451 597 L N -0.113 121.079 121.223 -0.052 0.000 2.027 597 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 597 L C 0.900 177.728 176.870 -0.070 0.000 1.074 597 L CA 0.761 55.584 54.840 -0.028 0.000 0.745 597 L CB -0.186 41.927 42.059 0.090 0.000 0.898 597 L HN 0.142 nan 8.230 nan 0.000 0.433 598 L N 1.548 122.684 121.223 -0.145 0.000 2.599 598 L HA 0.337 4.677 4.340 -0.000 0.000 0.241 598 L C -2.228 174.567 176.870 -0.125 0.000 1.207 598 L CA -1.650 53.109 54.840 -0.136 0.000 0.987 598 L CB 0.479 42.429 42.059 -0.183 0.000 1.318 598 L HN -0.061 nan 8.230 nan 0.000 0.458 599 P HA 0.081 nan 4.420 nan 0.000 0.274 599 P C -0.128 177.142 177.300 -0.050 0.000 1.256 599 P CA -0.487 62.572 63.100 -0.068 0.000 0.795 599 P CB 1.187 32.855 31.700 -0.053 0.000 1.038 600 A N 1.211 124.008 122.820 -0.038 0.000 3.037 600 A HA 0.269 4.588 4.320 -0.000 0.000 0.272 600 A C 0.687 178.261 177.584 -0.016 0.000 1.723 600 A CA 0.128 52.150 52.037 -0.025 0.000 1.413 600 A CB -1.254 17.735 19.000 -0.019 0.000 1.112 600 A HN 0.608 nan 8.150 nan 0.000 0.606 601 Q N -0.811 118.981 119.800 -0.013 0.000 2.819 601 Q HA 0.280 4.620 4.340 -0.000 0.000 0.335 601 Q C -1.874 174.134 176.000 0.014 0.000 0.779 601 Q CA -1.041 54.762 55.803 -0.000 0.000 0.848 601 Q CB 0.383 29.121 28.738 0.001 0.000 1.332 601 Q HN 0.114 nan 8.270 nan 0.000 0.505 602 D N 1.581 122.003 120.400 0.038 0.000 2.453 602 D HA 0.361 5.001 4.640 -0.000 0.000 0.223 602 D C -0.466 175.901 176.300 0.112 0.000 1.183 602 D CA 0.054 54.109 54.000 0.093 0.000 0.933 602 D CB 0.036 40.906 40.800 0.116 0.000 1.038 602 D HN 0.322 nan 8.370 nan 0.000 0.513 603 I N 1.380 121.975 120.570 0.043 0.000 2.471 603 I HA 0.039 4.209 4.170 -0.000 0.000 0.286 603 I C 1.080 177.126 176.117 -0.119 0.000 1.079 603 I CA -0.291 60.986 61.300 -0.039 0.000 1.398 603 I CB 0.590 38.558 38.000 -0.053 0.000 1.403 603 I HN -0.078 nan 8.210 nan 0.000 0.530 604 K N 5.994 126.237 120.400 -0.261 0.000 2.312 604 K HA 0.597 4.917 4.320 -0.000 0.000 0.287 604 K C -0.456 175.940 176.600 -0.340 0.000 1.062 604 K CA -0.112 55.850 56.287 -0.541 0.000 0.934 604 K CB 0.661 32.796 32.500 -0.608 0.000 1.027 604 K HN 0.825 nan 8.250 nan 0.000 0.478 605 A N 3.615 126.244 122.820 -0.318 0.000 2.539 605 A HA 0.828 5.148 4.320 -0.000 0.000 0.272 605 A C -1.593 175.915 177.584 -0.126 0.000 1.286 605 A CA -0.819 51.119 52.037 -0.164 0.000 0.792 605 A CB 0.814 19.747 19.000 -0.111 0.000 1.355 605 A HN 0.643 nan 8.150 nan 0.000 0.472 606 L N -3.074 118.132 121.223 -0.028 0.000 2.869 606 L HA 0.931 5.271 4.340 -0.000 0.000 0.265 606 L C -0.926 176.018 176.870 0.123 0.000 1.011 606 L CA -0.691 54.143 54.840 -0.010 0.000 0.913 606 L CB 1.188 43.219 42.059 -0.046 0.000 1.490 606 L HN 1.277 nan 8.230 nan 0.000 0.410 607 F N -1.047 118.910 119.950 0.012 0.000 2.643 607 F HA 0.940 5.467 4.527 -0.000 0.000 0.314 607 F C -1.313 174.521 175.800 0.056 0.000 1.096 607 F CA -1.402 56.624 58.000 0.043 0.000 0.953 607 F CB 1.514 40.537 39.000 0.037 0.000 1.345 607 F HN 0.346 nan 8.300 nan 0.000 0.468 608 V N 2.109 122.173 119.914 0.251 0.000 2.407 608 V HA 0.588 4.708 4.120 -0.000 0.000 0.278 608 V C -0.127 176.075 176.094 0.180 0.000 1.037 608 V CA -0.236 62.120 62.300 0.094 0.000 0.900 608 V CB 0.884 32.749 31.823 0.071 0.000 0.983 608 V HN 0.941 nan 8.190 nan 0.000 0.459 609 S N 3.160 118.889 115.700 0.049 0.000 2.600 609 S HA 0.523 4.993 4.470 -0.000 0.000 0.300 609 S C -0.643 173.970 174.600 0.022 0.000 1.087 609 S CA -0.709 57.557 58.200 0.109 0.000 0.965 609 S CB 1.791 65.068 63.200 0.128 0.000 1.089 609 S HN 0.855 nan 8.310 nan 0.000 0.496 610 E N 1.697 121.921 120.200 0.040 0.000 2.081 610 E HA 0.225 4.575 4.350 -0.000 0.000 0.281 610 E C -1.088 175.518 176.600 0.011 0.000 0.986 610 E CA -0.376 56.031 56.400 0.011 0.000 0.796 610 E CB 0.509 30.224 29.700 0.025 0.000 1.085 610 E HN 0.375 nan 8.360 nan 0.000 0.398 611 E N 4.032 124.227 120.200 -0.009 0.000 2.063 611 E HA 0.093 4.443 4.350 -0.000 0.000 0.265 611 E C -0.876 175.721 176.600 -0.005 0.000 0.919 611 E CA -0.322 56.074 56.400 -0.007 0.000 0.756 611 E CB 0.776 30.463 29.700 -0.021 0.000 1.120 611 E HN 0.633 nan 8.360 nan 0.000 0.414 612 E N 2.846 123.049 120.200 0.004 0.000 2.230 612 E HA -0.268 4.082 4.350 -0.000 0.000 0.206 612 E C -0.482 176.121 176.600 0.006 0.000 1.309 612 E CA 0.626 57.029 56.400 0.005 0.000 0.697 612 E CB -1.087 28.613 29.700 0.001 0.000 1.146 612 E HN 0.582 nan 8.360 nan 0.000 0.363 613 K N -1.168 119.239 120.400 0.012 0.000 3.088 613 K HA -0.252 4.068 4.320 -0.000 0.000 0.273 613 K C -0.535 176.075 176.600 0.017 0.000 1.111 613 K CA 1.352 57.651 56.287 0.020 0.000 0.803 613 K CB -0.807 31.704 32.500 0.020 0.000 1.226 613 K HN 0.339 nan 8.250 nan 0.000 0.485 614 K N 0.755 121.153 120.400 -0.003 0.000 2.565 614 K HA 0.367 4.687 4.320 -0.000 0.000 0.249 614 K C -0.370 176.193 176.600 -0.061 0.000 0.958 614 K CA -0.722 55.550 56.287 -0.024 0.000 0.806 614 K CB 1.742 34.228 32.500 -0.024 0.000 1.194 614 K HN -0.028 nan 8.250 nan 0.000 0.434 615 L N 2.087 123.240 121.223 -0.116 0.000 2.410 615 L HA 0.230 4.569 4.340 -0.000 0.000 0.273 615 L C 0.432 177.216 176.870 -0.144 0.000 1.152 615 L CA 0.363 55.102 54.840 -0.169 0.000 0.855 615 L CB 0.955 42.816 42.059 -0.330 0.000 1.129 615 L HN 0.631 nan 8.230 nan 0.000 0.463 616 T N 3.741 118.221 114.554 -0.123 0.000 2.916 616 T HA 0.447 4.797 4.350 -0.000 0.000 0.305 616 T C -0.381 174.234 174.700 -0.143 0.000 1.119 616 T CA -0.767 61.261 62.100 -0.120 0.000 1.008 616 T CB 1.135 69.946 68.868 -0.094 0.000 1.129 616 T HN 0.545 nan 8.240 nan 0.000 0.480 617 R N 2.554 122.965 120.500 -0.148 0.000 2.531 617 R HA 0.583 4.923 4.340 -0.000 0.000 0.273 617 R C -0.422 175.717 176.300 -0.267 0.000 1.070 617 R CA -0.915 55.076 56.100 -0.182 0.000 1.112 617 R CB 0.585 30.818 30.300 -0.112 0.000 1.049 617 R HN 0.326 nan 8.270 nan 0.000 0.508 618 K N 2.506 122.638 120.400 -0.446 0.000 2.579 618 K HA 0.199 4.519 4.320 -0.000 0.000 0.250 618 K C -0.934 175.415 176.600 -0.418 0.000 0.952 618 K CA -0.447 55.533 56.287 -0.513 0.000 0.857 618 K CB 2.090 34.062 32.500 -0.880 0.000 1.123 618 K HN 0.587 nan 8.250 nan 0.000 0.433 619 E N 1.981 122.048 120.200 -0.223 0.000 2.259 619 E HA 0.271 4.621 4.350 -0.000 0.000 0.281 619 E C 0.291 176.835 176.600 -0.093 0.000 1.037 619 E CA -0.556 55.745 56.400 -0.164 0.000 0.854 619 E CB 1.165 30.776 29.700 -0.148 0.000 1.051 619 E HN 0.387 nan 8.360 nan 0.000 0.409 620 V N 0.610 120.469 119.914 -0.090 0.000 3.158 620 V HA 0.551 4.671 4.120 -0.000 0.000 0.311 620 V C -1.398 174.623 176.094 -0.122 0.000 1.181 620 V CA -1.008 61.314 62.300 0.036 0.000 1.054 620 V CB 1.243 33.165 31.823 0.164 0.000 1.085 620 V HN 0.520 nan 8.190 nan 0.000 0.446 621 Y N 0.606 120.918 120.300 0.021 0.000 2.331 621 Y HA 0.643 5.193 4.550 -0.000 0.000 0.334 621 Y C 0.230 176.123 175.900 -0.012 0.000 0.960 621 Y CA -0.753 57.349 58.100 0.003 0.000 1.130 621 Y CB 1.764 40.248 38.460 0.040 0.000 1.164 621 Y HN 0.528 nan 8.280 nan 0.000 0.458 622 I N 5.524 126.132 120.570 0.064 0.000 2.406 622 I HA 0.080 4.250 4.170 -0.000 0.000 0.293 622 I C -0.145 176.000 176.117 0.047 0.000 1.101 622 I CA -0.546 60.770 61.300 0.028 0.000 1.334 622 I CB 0.275 38.266 38.000 -0.015 0.000 1.421 622 I HN 0.354 nan 8.210 nan 0.000 0.513 623 K N 5.609 126.029 120.400 0.032 0.000 2.054 623 K HA 0.015 4.335 4.320 -0.000 0.000 0.242 623 K C 0.420 177.028 176.600 0.014 0.000 1.157 623 K CA 0.127 56.426 56.287 0.020 0.000 1.079 623 K CB -0.406 32.090 32.500 -0.008 0.000 1.331 623 K HN 0.449 nan 8.250 nan 0.000 0.317 624 N N 0.915 119.624 118.700 0.015 0.000 2.205 624 N HA 0.022 4.762 4.740 -0.000 0.000 0.201 624 N C 0.856 176.368 175.510 0.003 0.000 1.128 624 N CA 0.117 53.172 53.050 0.009 0.000 0.867 624 N CB 0.584 39.069 38.487 -0.003 0.000 0.996 624 N HN 0.481 nan 8.380 nan 0.000 0.503 625 G N 0.247 109.049 108.800 0.003 0.000 3.022 625 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.157 625 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.157 625 G C 0.575 175.471 174.900 -0.007 0.000 1.691 625 G CA 0.559 45.656 45.100 -0.005 0.000 1.079 625 G HN 0.392 nan 8.290 nan 0.000 0.549 626 D N -0.603 119.787 120.400 -0.016 0.000 2.323 626 D HA -0.014 4.626 4.640 -0.000 0.000 0.209 626 D C 1.701 177.993 176.300 -0.012 0.000 0.973 626 D CA 0.561 54.550 54.000 -0.018 0.000 0.874 626 D CB -0.044 40.736 40.800 -0.033 0.000 0.930 626 D HN 0.421 nan 8.370 nan 0.000 0.521 627 K N 0.333 120.726 120.400 -0.013 0.000 2.525 627 K HA 0.008 4.328 4.320 -0.000 0.000 0.192 627 K C 1.876 178.472 176.600 -0.006 0.000 1.029 627 K CA 0.087 56.365 56.287 -0.015 0.000 1.029 627 K CB 0.228 32.713 32.500 -0.024 0.000 0.814 627 K HN 0.094 nan 8.250 nan 0.000 0.503 628 K N 1.153 121.555 120.400 0.004 0.000 2.063 628 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 628 K C 2.032 178.650 176.600 0.029 0.000 1.048 628 K CA 1.626 57.922 56.287 0.016 0.000 0.928 628 K CB -0.191 32.325 32.500 0.027 0.000 0.713 628 K HN 0.235 nan 8.250 nan 0.000 0.442 629 G N -0.118 108.698 108.800 0.027 0.000 2.402 629 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 629 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 629 G C 1.437 176.360 174.900 0.038 0.000 1.162 629 G CA 0.886 46.008 45.100 0.037 0.000 0.777 629 G HN 0.324 nan 8.290 nan 0.000 0.539 630 S N -0.698 115.015 115.700 0.022 0.000 2.399 630 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 630 S C 2.238 176.853 174.600 0.024 0.000 1.022 630 S CA 1.020 59.233 58.200 0.022 0.000 0.983 630 S CB -0.402 62.800 63.200 0.003 0.000 0.803 630 S HN 0.523 nan 8.310 nan 0.000 0.480 631 c N 1.829 120.431 118.600 0.003 0.000 2.505 631 c HA 0.083 4.653 4.570 -0.000 0.000 0.279 631 c C 2.499 176.600 174.090 0.018 0.000 1.316 631 c CA 0.342 56.647 56.329 -0.040 0.000 1.720 631 c CB -1.079 41.371 42.510 -0.099 0.000 2.050 631 c HN 0.584 nan 8.230 nan 0.000 0.493 632 E N 0.269 120.525 120.200 0.095 0.000 2.031 632 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 632 E C 2.326 179.041 176.600 0.192 0.000 0.994 632 E CA 1.142 57.674 56.400 0.220 0.000 0.800 632 E CB -0.241 29.558 29.700 0.165 0.000 0.752 632 E HN 0.581 nan 8.360 nan 0.000 0.447 633 R N 0.892 121.467 120.500 0.124 0.000 2.200 633 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 633 R C 1.334 177.722 176.300 0.146 0.000 1.127 633 R CA 0.999 57.162 56.100 0.105 0.000 0.989 633 R CB -0.128 30.220 30.300 0.080 0.000 0.869 633 R HN 0.147 nan 8.270 nan 0.000 0.459 634 D N 0.588 121.107 120.400 0.198 0.000 2.378 634 D HA -0.064 4.576 4.640 -0.000 0.000 0.222 634 D C 1.424 177.917 176.300 0.321 0.000 0.980 634 D CA 0.684 54.868 54.000 0.305 0.000 0.907 634 D CB 0.021 40.940 40.800 0.198 0.000 0.899 634 D HN 0.245 nan 8.370 nan 0.000 0.527 635 A N 0.942 123.900 122.820 0.230 0.000 2.121 635 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 635 A C 2.090 179.702 177.584 0.046 0.000 1.154 635 A CA 0.996 53.107 52.037 0.124 0.000 0.679 635 A CB -0.524 18.433 19.000 -0.072 0.000 0.795 635 A HN 0.402 nan 8.150 nan 0.000 0.458 636 Q N -1.712 118.112 119.800 0.039 0.000 2.224 636 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 636 Q C 1.291 177.221 176.000 -0.116 0.000 0.970 636 Q CA 1.613 57.378 55.803 -0.064 0.000 0.865 636 Q CB -0.645 27.974 28.738 -0.200 0.000 0.922 636 Q HN 0.714 nan 8.270 nan 0.000 0.445 637 Y N 1.423 121.707 120.300 -0.026 0.000 2.516 637 Y HA 0.221 4.771 4.550 -0.000 0.000 0.291 637 Y C 1.379 177.314 175.900 0.057 0.000 1.131 637 Y CA 0.034 58.086 58.100 -0.080 0.000 1.281 637 Y CB -0.065 38.173 38.460 -0.369 0.000 1.013 637 Y HN 0.188 nan 8.280 nan 0.000 0.554 638 A N 1.399 124.368 122.820 0.247 0.000 2.483 638 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 638 A C -2.325 175.453 177.584 0.324 0.000 1.070 638 A CA -1.276 50.933 52.037 0.287 0.000 0.770 638 A CB -0.395 18.753 19.000 0.246 0.000 1.008 638 A HN 0.007 nan 8.150 nan 0.000 0.497 639 P HA 0.266 nan 4.420 nan 0.000 0.262 639 P C 1.074 178.477 177.300 0.172 0.000 1.199 639 P CA 1.770 64.988 63.100 0.197 0.000 0.763 639 P CB 0.612 32.408 31.700 0.160 0.000 0.790 640 G N 2.975 111.816 108.800 0.068 0.000 2.420 640 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.221 640 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.221 640 G C 0.809 175.636 174.900 -0.122 0.000 1.117 640 G CA -0.226 44.827 45.100 -0.078 0.000 0.657 640 G HN 0.447 nan 8.290 nan 0.000 0.512 641 Y N 3.055 123.336 120.300 -0.030 0.000 2.632 641 Y HA 0.105 4.655 4.550 -0.000 0.000 0.301 641 Y C 2.433 178.303 175.900 -0.050 0.000 1.172 641 Y CA 1.178 59.252 58.100 -0.042 0.000 1.328 641 Y CB -0.210 38.233 38.460 -0.028 0.000 1.016 641 Y HN 0.525 nan 8.280 nan 0.000 0.529 642 D N 1.184 121.628 120.400 0.074 0.000 2.265 642 D HA -0.237 4.403 4.640 -0.000 0.000 0.208 642 D C 0.906 177.189 176.300 -0.028 0.000 0.977 642 D CA 1.418 55.417 54.000 -0.001 0.000 0.871 642 D CB -0.459 40.336 40.800 -0.008 0.000 0.925 642 D HN 0.519 nan 8.370 nan 0.000 0.485 643 K N 0.167 120.554 120.400 -0.023 0.000 2.537 643 K HA 0.301 4.621 4.320 -0.000 0.000 0.206 643 K C -0.390 176.193 176.600 -0.028 0.000 1.041 643 K CA -0.515 55.752 56.287 -0.033 0.000 1.090 643 K CB 0.776 33.252 32.500 -0.040 0.000 0.833 643 K HN -0.100 nan 8.250 nan 0.000 0.493 644 V N 3.052 122.963 119.914 -0.005 0.000 2.479 644 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 644 V C 1.101 177.197 176.094 0.003 0.000 1.031 644 V CA -0.051 62.254 62.300 0.008 0.000 1.038 644 V CB 0.838 32.703 31.823 0.071 0.000 0.981 644 V HN 0.401 nan 8.190 nan 0.000 0.478 645 K N 2.679 123.076 120.400 -0.005 0.000 1.965 645 K HA -0.112 4.208 4.320 -0.000 0.000 0.218 645 K C 0.612 177.216 176.600 0.006 0.000 1.048 645 K CA 1.399 57.684 56.287 -0.004 0.000 0.960 645 K CB -0.015 32.480 32.500 -0.008 0.000 0.732 645 K HN 0.656 nan 8.250 nan 0.000 0.444 646 D N 0.197 120.606 120.400 0.016 0.000 2.329 646 D HA 0.063 4.703 4.640 -0.000 0.000 0.232 646 D C 0.321 176.647 176.300 0.043 0.000 1.088 646 D CA -0.299 53.718 54.000 0.027 0.000 0.835 646 D CB 1.283 42.100 40.800 0.029 0.000 1.078 646 D HN -0.039 nan 8.370 nan 0.000 0.495 647 I N 3.305 123.900 120.570 0.040 0.000 2.567 647 I HA -0.186 3.984 4.170 -0.000 0.000 0.257 647 I C 1.908 178.057 176.117 0.053 0.000 1.184 647 I CA 1.260 62.589 61.300 0.047 0.000 1.451 647 I CB -0.213 37.808 38.000 0.035 0.000 1.089 647 I HN 0.438 nan 8.210 nan 0.000 0.441 648 S N -0.882 114.853 115.700 0.059 0.000 2.515 648 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 648 S C 1.830 176.489 174.600 0.099 0.000 0.987 648 S CA 0.818 59.062 58.200 0.073 0.000 0.936 648 S CB -0.377 62.864 63.200 0.069 0.000 0.766 648 S HN 0.523 nan 8.310 nan 0.000 0.528 649 E N 1.500 121.762 120.200 0.104 0.000 2.371 649 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 649 E C 1.594 178.340 176.600 0.243 0.000 1.012 649 E CA 0.912 57.398 56.400 0.143 0.000 0.860 649 E CB 0.130 29.884 29.700 0.090 0.000 0.811 649 E HN 0.602 nan 8.360 nan 0.000 0.502 650 V N -2.966 117.058 119.914 0.183 0.000 3.645 650 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 650 V C 0.508 176.568 176.094 -0.056 0.000 1.356 650 V CA -0.221 62.188 62.300 0.181 0.000 1.051 650 V CB 0.943 32.920 31.823 0.257 0.000 0.828 650 V HN -0.060 nan 8.190 nan 0.000 0.441 651 V N 3.342 123.234 119.914 -0.036 0.000 2.235 651 V HA 0.379 4.499 4.120 -0.000 0.000 0.266 651 V C 0.764 176.960 176.094 0.170 0.000 1.055 651 V CA 0.330 62.566 62.300 -0.107 0.000 0.844 651 V CB 0.285 32.018 31.823 -0.150 0.000 1.097 651 V HN 0.652 nan 8.190 nan 0.000 0.453 652 T N 1.730 116.495 114.554 0.351 0.000 2.813 652 T HA 0.238 4.588 4.350 -0.000 0.000 0.297 652 T C -1.498 173.337 174.700 0.226 0.000 1.036 652 T CA -1.444 60.802 62.100 0.243 0.000 1.044 652 T CB 1.016 69.949 68.868 0.109 0.000 0.993 652 T HN 0.313 nan 8.240 nan 0.000 0.535 653 P HA 0.020 nan 4.420 nan 0.000 0.229 653 P C 0.797 178.095 177.300 -0.004 0.000 1.150 653 P CA 0.520 63.662 63.100 0.071 0.000 0.765 653 P CB -0.001 31.732 31.700 0.054 0.000 0.783 654 R N -1.520 118.884 120.500 -0.160 0.000 2.363 654 R HA 0.214 4.554 4.340 -0.000 0.000 0.236 654 R C -0.204 175.818 176.300 -0.463 0.000 0.966 654 R CA 0.063 55.930 56.100 -0.389 0.000 1.100 654 R CB -0.833 28.994 30.300 -0.787 0.000 1.125 654 R HN 0.155 nan 8.270 nan 0.000 0.514 655 F N -0.261 119.702 119.950 0.021 0.000 2.507 655 F HA 0.430 4.957 4.527 -0.000 0.000 0.325 655 F C 0.010 175.884 175.800 0.123 0.000 1.116 655 F CA -1.018 57.043 58.000 0.101 0.000 0.930 655 F CB 1.330 40.422 39.000 0.153 0.000 1.146 655 F HN -0.265 nan 8.300 nan 0.000 0.447 656 L N 2.981 124.401 121.223 0.329 0.000 2.322 656 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 656 L C -0.669 176.317 176.870 0.194 0.000 1.036 656 L CA -0.731 54.239 54.840 0.216 0.000 0.807 656 L CB 1.747 43.893 42.059 0.144 0.000 1.226 656 L HN 0.623 nan 8.230 nan 0.000 0.433 657 c N 2.438 121.069 118.600 0.052 0.000 2.322 657 c HA 0.807 5.377 4.570 -0.000 0.000 0.324 657 c C 0.433 174.447 174.090 -0.125 0.000 1.284 657 c CA -0.142 56.081 56.329 -0.175 0.000 1.606 657 c CB 0.614 42.993 42.510 -0.218 0.000 2.251 657 c HN 0.932 nan 8.230 nan 0.000 0.502 658 T N 2.186 116.635 114.554 -0.175 0.000 2.838 658 T HA 0.912 5.262 4.350 -0.000 0.000 0.292 658 T C 0.005 174.630 174.700 -0.126 0.000 1.113 658 T CA 0.390 62.452 62.100 -0.064 0.000 1.008 658 T CB 1.123 70.025 68.868 0.056 0.000 1.259 658 T HN 2.432 nan 8.240 nan 0.000 0.520 659 G N -1.256 107.530 108.800 -0.023 0.000 2.746 659 G HA2 0.484 4.444 3.960 -0.000 0.000 0.685 659 G HA3 0.484 4.444 3.960 -0.000 0.000 0.685 659 G C 0.227 175.091 174.900 -0.060 0.000 1.350 659 G CA 0.196 45.275 45.100 -0.036 0.000 0.837 659 G HN 2.758 nan 8.290 nan 0.000 0.564 660 G N -2.614 106.153 108.800 -0.054 0.000 2.297 660 G HA2 0.434 4.394 3.960 -0.000 0.000 0.209 660 G HA3 0.434 4.394 3.960 -0.000 0.000 0.209 660 G C 0.822 175.695 174.900 -0.046 0.000 1.267 660 G CA 1.619 46.679 45.100 -0.068 0.000 1.127 660 G HN 2.392 nan 8.290 nan 0.000 0.498 661 V N -3.600 116.280 119.914 -0.057 0.000 3.497 661 V HA 0.677 4.797 4.120 -0.000 0.000 0.272 661 V C 0.749 176.790 176.094 -0.089 0.000 1.474 661 V CA 1.387 63.652 62.300 -0.058 0.000 1.025 661 V CB 0.681 32.463 31.823 -0.069 0.000 0.820 661 V HN 1.660 nan 8.190 nan 0.000 0.437 662 S N 1.560 117.202 115.700 -0.098 0.000 2.502 662 S HA 0.717 5.187 4.470 -0.000 0.000 0.304 662 S C -2.227 172.290 174.600 -0.139 0.000 1.097 662 S CA -1.093 57.017 58.200 -0.150 0.000 1.045 662 S CB 2.047 65.171 63.200 -0.126 0.000 1.019 662 S HN 0.251 nan 8.310 nan 0.000 0.481 663 P HA 0.249 nan 4.420 nan 0.000 0.255 663 P C -0.988 175.871 177.300 -0.735 0.000 1.248 663 P CA 0.471 63.307 63.100 -0.440 0.000 0.807 663 P CB -0.026 31.409 31.700 -0.442 0.000 1.150 664 Y N -1.444 118.715 120.300 -0.234 0.000 2.689 664 Y HA 0.600 5.150 4.550 -0.000 0.000 0.333 664 Y C -0.188 175.670 175.900 -0.070 0.000 1.190 664 Y CA -1.785 56.225 58.100 -0.150 0.000 1.063 664 Y CB 0.773 39.130 38.460 -0.172 0.000 1.294 664 Y HN -0.371 nan 8.280 nan 0.000 0.466 665 A N 1.701 124.612 122.820 0.152 0.000 2.527 665 A HA 0.367 4.687 4.320 -0.000 0.000 0.313 665 A C -1.011 176.635 177.584 0.103 0.000 1.410 665 A CA -0.450 51.635 52.037 0.080 0.000 1.060 665 A CB -0.801 18.228 19.000 0.048 0.000 1.137 665 A HN 0.539 nan 8.150 nan 0.000 0.542 666 D N 3.320 123.783 120.400 0.104 0.000 2.302 666 D HA 0.411 5.051 4.640 -0.000 0.000 0.248 666 D C -2.317 174.037 176.300 0.090 0.000 1.094 666 D CA -1.068 53.006 54.000 0.123 0.000 0.897 666 D CB 0.715 41.606 40.800 0.152 0.000 1.200 666 D HN 0.263 nan 8.370 nan 0.000 0.429 667 P HA 0.172 nan 4.420 nan 0.000 0.272 667 P C -0.794 176.626 177.300 0.199 0.000 1.223 667 P CA -0.339 62.824 63.100 0.105 0.000 0.784 667 P CB 0.577 32.303 31.700 0.045 0.000 0.923 668 N N -0.396 118.399 118.700 0.159 0.000 2.443 668 N HA 0.355 5.095 4.740 -0.000 0.000 0.295 668 N C -0.348 175.269 175.510 0.179 0.000 1.076 668 N CA -0.502 52.621 53.050 0.122 0.000 0.919 668 N CB 0.376 38.878 38.487 0.025 0.000 1.176 668 N HN 0.374 nan 8.380 nan 0.000 0.487 669 T N -1.323 113.236 114.554 0.008 0.000 2.926 669 T HA 0.298 4.648 4.350 -0.000 0.000 0.307 669 T C 0.233 174.932 174.700 -0.003 0.000 1.059 669 T CA -0.525 61.511 62.100 -0.107 0.000 1.122 669 T CB -0.018 68.593 68.868 -0.429 0.000 0.972 669 T HN 0.381 nan 8.240 nan 0.000 0.545 670 c N 2.421 121.052 118.600 0.053 0.000 2.345 670 c HA 0.544 5.114 4.570 -0.000 0.000 0.370 670 c C 2.258 176.377 174.090 0.048 0.000 1.209 670 c CA -0.975 55.388 56.329 0.057 0.000 2.133 670 c CB 1.177 43.737 42.510 0.082 0.000 2.293 670 c HN 1.167 nan 8.230 nan 0.000 0.544 671 R N 0.830 121.365 120.500 0.058 0.000 2.103 671 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 671 R C 1.921 178.267 176.300 0.077 0.000 1.142 671 R CA 2.234 58.379 56.100 0.074 0.000 0.960 671 R CB -0.798 29.548 30.300 0.077 0.000 0.858 671 R HN 0.986 nan 8.270 nan 0.000 0.439 672 G N -0.103 108.738 108.800 0.069 0.000 2.471 672 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 672 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 672 G C 0.683 175.625 174.900 0.071 0.000 1.125 672 G CA 0.654 45.793 45.100 0.065 0.000 0.775 672 G HN 0.369 nan 8.290 nan 0.000 0.548 673 D N 0.130 120.578 120.400 0.079 0.000 2.348 673 D HA 0.052 4.692 4.640 -0.000 0.000 0.211 673 D C 1.428 177.766 176.300 0.062 0.000 0.998 673 D CA 0.128 54.183 54.000 0.092 0.000 0.873 673 D CB 0.082 40.956 40.800 0.124 0.000 0.925 673 D HN 0.178 nan 8.370 nan 0.000 0.524 674 S N -0.481 115.257 115.700 0.064 0.000 2.563 674 S HA 0.248 4.718 4.470 -0.000 0.000 0.294 674 S C 1.465 176.111 174.600 0.077 0.000 1.279 674 S CA 1.013 59.272 58.200 0.098 0.000 1.069 674 S CB 0.207 63.526 63.200 0.200 0.000 0.828 674 S HN 0.488 nan 8.310 nan 0.000 0.497 675 G N 3.268 112.131 108.800 0.105 0.000 2.213 675 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.236 675 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.236 675 G C 0.604 175.569 174.900 0.109 0.000 0.991 675 G CA 0.115 45.265 45.100 0.084 0.000 0.629 675 G HN 1.310 nan 8.290 nan 0.000 0.517 676 G N 0.665 109.532 108.800 0.111 0.000 2.664 676 G HA2 0.491 4.451 3.960 -0.000 0.000 0.242 676 G HA3 0.491 4.451 3.960 -0.000 0.000 0.242 676 G C -2.163 172.822 174.900 0.141 0.000 1.225 676 G CA -0.164 45.021 45.100 0.142 0.000 0.849 676 G HN 0.309 nan 8.290 nan 0.000 0.581 677 P HA 0.211 nan 4.420 nan 0.000 0.279 677 P C -0.551 176.795 177.300 0.077 0.000 1.239 677 P CA -0.630 62.520 63.100 0.084 0.000 0.789 677 P CB 1.293 33.005 31.700 0.020 0.000 0.933 678 L N 5.060 126.283 121.223 0.000 0.000 2.288 678 L HA 0.380 4.720 4.340 -0.000 0.000 0.283 678 L C -0.736 176.103 176.870 -0.052 0.000 1.072 678 L CA -0.142 54.656 54.840 -0.071 0.000 0.862 678 L CB -0.876 41.016 42.059 -0.277 0.000 1.245 678 L HN 0.241 nan 8.230 nan 0.000 0.432 679 I N 4.617 125.184 120.570 -0.006 0.000 2.488 679 I HA 0.389 4.559 4.170 -0.000 0.000 0.299 679 I C -0.455 175.660 176.117 -0.003 0.000 0.984 679 I CA -0.960 60.327 61.300 -0.022 0.000 1.250 679 I CB 1.789 39.794 38.000 0.008 0.000 1.389 679 I HN 0.127 nan 8.210 nan 0.000 0.488 680 V N 4.424 124.321 119.914 -0.029 0.000 2.326 680 V HA 0.150 4.270 4.120 -0.000 0.000 0.281 680 V C -0.375 175.665 176.094 -0.089 0.000 1.015 680 V CA -0.608 61.660 62.300 -0.053 0.000 0.823 680 V CB 0.877 32.661 31.823 -0.065 0.000 1.009 680 V HN 0.616 nan 8.190 nan 0.000 0.436 681 H N 5.379 124.328 119.070 -0.202 0.000 2.864 681 H HA 0.482 5.038 4.556 -0.000 0.000 0.281 681 H C -0.247 174.902 175.328 -0.298 0.000 1.093 681 H CA 0.266 56.078 56.048 -0.392 0.000 1.453 681 H CB 0.310 29.809 29.762 -0.437 0.000 1.462 681 H HN 0.548 nan 8.280 nan 0.000 0.480 682 K N 4.455 124.490 120.400 -0.608 0.000 2.507 682 K HA 0.283 4.603 4.320 -0.000 0.000 0.251 682 K C -0.274 176.065 176.600 -0.434 0.000 0.943 682 K CA -0.999 55.046 56.287 -0.403 0.000 0.794 682 K CB 1.929 34.296 32.500 -0.223 0.000 1.188 682 K HN 0.760 nan 8.250 nan 0.000 0.428 683 R N 1.191 121.500 120.500 -0.318 0.000 3.422 683 R HA -0.198 4.142 4.340 -0.000 0.000 0.267 683 R C -0.667 175.477 176.300 -0.259 0.000 1.074 683 R CA 0.686 56.658 56.100 -0.213 0.000 0.718 683 R CB -2.301 27.915 30.300 -0.140 0.000 1.157 683 R HN 0.922 nan 8.270 nan 0.000 0.440 684 S N -1.746 113.709 115.700 -0.408 0.000 3.490 684 S HA -0.187 4.283 4.470 -0.000 0.000 0.301 684 S C -0.047 174.370 174.600 -0.306 0.000 1.233 684 S CA 1.464 59.499 58.200 -0.275 0.000 0.914 684 S CB -0.569 62.602 63.200 -0.048 0.000 1.047 684 S HN 0.475 nan 8.310 nan 0.000 0.602 685 R N -0.583 119.574 120.500 -0.571 0.000 2.725 685 R HA 0.613 4.953 4.340 -0.000 0.000 0.277 685 R C -1.115 174.874 176.300 -0.518 0.000 0.987 685 R CA -0.495 55.405 56.100 -0.332 0.000 0.901 685 R CB 0.825 31.018 30.300 -0.178 0.000 1.207 685 R HN 0.148 nan 8.270 nan 0.000 0.463 686 F N 2.830 122.698 119.950 -0.136 0.000 2.415 686 F HA 0.481 5.008 4.527 -0.000 0.000 0.348 686 F C 0.433 176.063 175.800 -0.283 0.000 1.119 686 F CA -0.714 57.158 58.000 -0.213 0.000 1.069 686 F CB 1.172 39.953 39.000 -0.365 0.000 1.124 686 F HN 0.086 nan 8.300 nan 0.000 0.472 687 I N 3.124 123.631 120.570 -0.104 0.000 2.410 687 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 687 I C -0.268 175.773 176.117 -0.126 0.000 1.009 687 I CA -0.839 60.388 61.300 -0.122 0.000 1.111 687 I CB 1.427 39.375 38.000 -0.086 0.000 1.262 687 I HN 0.637 nan 8.210 nan 0.000 0.443 688 Q N 4.826 124.527 119.800 -0.165 0.000 2.296 688 Q HA 0.315 4.655 4.340 -0.000 0.000 0.262 688 Q C 0.320 176.276 176.000 -0.073 0.000 0.981 688 Q CA -0.076 55.647 55.803 -0.134 0.000 0.905 688 Q CB 1.337 29.984 28.738 -0.151 0.000 1.186 688 Q HN 0.677 nan 8.270 nan 0.000 0.399 689 V N 0.465 120.362 119.914 -0.029 0.000 3.398 689 V HA 0.638 4.758 4.120 -0.000 0.000 0.298 689 V C 0.203 176.326 176.094 0.048 0.000 1.496 689 V CA 0.430 62.755 62.300 0.041 0.000 1.044 689 V CB 0.461 32.358 31.823 0.124 0.000 0.880 689 V HN 0.673 nan 8.190 nan 0.000 0.443 690 G N -0.570 108.237 108.800 0.013 0.000 2.576 690 G HA2 0.580 4.540 3.960 -0.000 0.000 0.290 690 G HA3 0.580 4.540 3.960 -0.000 0.000 0.290 690 G C -1.947 172.994 174.900 0.069 0.000 1.442 690 G CA -0.304 44.822 45.100 0.044 0.000 0.792 690 G HN 0.378 nan 8.290 nan 0.000 0.491 691 V N 1.243 121.239 119.914 0.136 0.000 2.483 691 V HA 0.341 4.461 4.120 -0.000 0.000 0.297 691 V C 0.413 176.657 176.094 0.250 0.000 1.027 691 V CA -0.603 61.796 62.300 0.165 0.000 0.855 691 V CB 1.511 33.420 31.823 0.143 0.000 0.995 691 V HN 0.692 nan 8.190 nan 0.000 0.424 692 I N 3.736 124.466 120.570 0.267 0.000 2.948 692 I HA -0.080 4.090 4.170 -0.000 0.000 0.284 692 I C 1.457 177.639 176.117 0.108 0.000 1.181 692 I CA 0.755 62.170 61.300 0.191 0.000 1.372 692 I CB 0.382 38.411 38.000 0.049 0.000 1.443 692 I HN 0.808 nan 8.210 nan 0.000 0.554 693 S N 8.152 123.879 115.700 0.045 0.000 2.346 693 S HA 0.170 4.640 4.470 -0.000 0.000 0.204 693 S C -0.115 174.497 174.600 0.020 0.000 1.008 693 S CA 0.113 58.433 58.200 0.200 0.000 0.925 693 S CB 0.436 63.907 63.200 0.452 0.000 0.903 693 S HN 0.699 nan 8.310 nan 0.000 0.537 694 W N 0.039 121.120 121.300 -0.366 0.000 3.213 694 W HA 0.697 5.357 4.660 -0.000 0.000 0.318 694 W C -0.591 175.775 176.519 -0.254 0.000 1.248 694 W CA -1.107 55.947 57.345 -0.485 0.000 1.187 694 W CB 0.332 29.207 29.460 -0.974 0.000 1.403 694 W HN 0.376 nan 8.180 nan 0.000 0.556 695 G N 0.293 109.022 108.800 -0.117 0.000 2.511 695 G HA2 0.499 4.459 3.960 -0.000 0.000 0.318 695 G HA3 0.499 4.459 3.960 -0.000 0.000 0.318 695 G C -0.309 174.607 174.900 0.027 0.000 1.210 695 G CA -0.662 44.329 45.100 -0.182 0.000 0.969 695 G HN 0.372 nan 8.290 nan 0.000 0.484 696 V N 0.008 119.918 119.914 -0.006 0.000 2.346 696 V HA 0.022 4.142 4.120 -0.000 0.000 0.244 696 V C 0.940 177.129 176.094 0.158 0.000 1.037 696 V CA 0.926 63.315 62.300 0.147 0.000 1.029 696 V CB -0.206 31.712 31.823 0.158 0.000 0.663 696 V HN 0.347 nan 8.190 nan 0.000 0.454 697 V N 0.859 120.824 119.914 0.085 0.000 2.495 697 V HA 0.377 4.497 4.120 -0.000 0.000 0.298 697 V C -0.675 175.446 176.094 0.045 0.000 1.031 697 V CA -0.681 61.665 62.300 0.078 0.000 0.871 697 V CB 1.683 33.525 31.823 0.032 0.000 0.988 697 V HN 0.319 nan 8.190 nan 0.000 0.432 698 D N 3.374 123.810 120.400 0.061 0.000 2.483 698 D HA 0.147 4.787 4.640 -0.000 0.000 0.220 698 D C 0.972 177.293 176.300 0.036 0.000 1.173 698 D CA -0.107 53.922 54.000 0.050 0.000 0.964 698 D CB 1.243 42.081 40.800 0.064 0.000 1.046 698 D HN 0.416 nan 8.370 nan 0.000 0.517 699 V N 0.726 120.654 119.914 0.023 0.000 3.129 699 V HA 0.105 4.225 4.120 -0.000 0.000 0.259 699 V C 0.799 176.909 176.094 0.027 0.000 1.116 699 V CA -0.001 62.309 62.300 0.017 0.000 1.127 699 V CB -0.912 30.915 31.823 0.007 0.000 0.742 699 V HN 0.454 nan 8.190 nan 0.000 0.474 700 c N 2.192 120.813 118.600 0.035 0.000 2.415 700 c HA 0.596 5.166 4.570 -0.000 0.000 0.369 700 c C 0.525 174.639 174.090 0.040 0.000 1.279 700 c CA -0.517 55.836 56.329 0.040 0.000 1.886 700 c CB -0.575 41.964 42.510 0.048 0.000 2.468 700 c HN 0.552 nan 8.230 nan 0.000 0.553 701 K N 3.042 123.464 120.400 0.036 0.000 3.088 701 K HA 0.081 4.401 4.320 -0.000 0.000 0.193 701 K C -0.257 176.363 176.600 0.033 0.000 1.176 701 K CA -0.196 56.113 56.287 0.036 0.000 0.907 701 K CB 0.448 32.968 32.500 0.033 0.000 1.139 701 K HN 0.901 nan 8.250 nan 0.000 0.597 702 N N 2.635 121.356 118.700 0.035 0.000 2.922 702 N HA -0.317 4.423 4.740 -0.000 0.000 0.287 702 N C 0.323 175.849 175.510 0.026 0.000 1.009 702 N CA 1.632 54.701 53.050 0.031 0.000 0.867 702 N CB -0.606 37.901 38.487 0.033 0.000 0.930 702 N HN 0.825 nan 8.380 nan 0.000 0.604 703 Q N -2.771 117.043 119.800 0.023 0.000 1.647 703 Q HA 0.182 4.522 4.340 -0.000 0.000 0.172 703 Q C -0.152 175.858 176.000 0.016 0.000 0.646 703 Q CA -0.249 55.565 55.803 0.019 0.000 0.718 703 Q CB 0.684 29.433 28.738 0.019 0.000 1.190 703 Q HN 0.274 nan 8.270 nan 0.000 0.379 704 K N -0.312 120.099 120.400 0.018 0.000 4.737 704 K HA 0.367 4.687 4.320 -0.000 0.000 0.625 704 K C -1.701 174.910 176.600 0.019 0.000 0.953 704 K CA -0.751 55.546 56.287 0.016 0.000 0.928 704 K CB 0.924 33.431 32.500 0.011 0.000 1.786 704 K HN 0.012 nan 8.250 nan 0.000 0.822 705 R N 1.717 122.227 120.500 0.016 0.000 2.393 705 R HA 0.163 4.503 4.340 -0.000 0.000 0.315 705 R C 0.049 176.355 176.300 0.011 0.000 0.952 705 R CA -0.365 55.745 56.100 0.017 0.000 0.842 705 R CB 1.510 31.822 30.300 0.020 0.000 1.163 705 R HN 0.545 nan 8.270 nan 0.000 0.450 706 Q N 3.110 122.916 119.800 0.010 0.000 2.594 706 Q HA -0.369 3.971 4.340 -0.000 0.000 0.220 706 Q C 0.086 176.084 176.000 -0.002 0.000 0.983 706 Q CA 1.794 57.599 55.803 0.005 0.000 0.918 706 Q CB -0.220 28.519 28.738 0.003 0.000 0.945 706 Q HN 0.608 nan 8.270 nan 0.000 0.531 707 K N -2.102 118.296 120.400 -0.003 0.000 3.911 707 K HA -0.277 4.043 4.320 -0.000 0.000 0.299 707 K C -0.206 176.385 176.600 -0.014 0.000 0.830 707 K CA 2.045 58.328 56.287 -0.007 0.000 1.222 707 K CB -0.839 31.659 32.500 -0.004 0.000 1.566 707 K HN 0.453 nan 8.250 nan 0.000 0.484 708 Q N 0.935 120.724 119.800 -0.018 0.000 2.769 708 Q HA 0.195 4.535 4.340 -0.000 0.000 0.375 708 Q C -0.346 175.627 176.000 -0.046 0.000 0.996 708 Q CA -0.061 55.725 55.803 -0.027 0.000 1.042 708 Q CB 0.817 29.543 28.738 -0.019 0.000 1.329 708 Q HN 0.299 nan 8.270 nan 0.000 0.427 709 V N -0.724 119.156 119.914 -0.057 0.000 2.614 709 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 709 V C -2.040 173.966 176.094 -0.147 0.000 1.049 709 V CA -1.470 60.776 62.300 -0.090 0.000 1.038 709 V CB -0.129 31.649 31.823 -0.076 0.000 0.980 709 V HN 0.197 nan 8.190 nan 0.000 0.481 710 P HA 0.366 nan 4.420 nan 0.000 0.272 710 P C 0.694 177.759 177.300 -0.391 0.000 1.254 710 P CA 0.106 62.965 63.100 -0.402 0.000 0.795 710 P CB 0.637 31.841 31.700 -0.826 0.000 1.022 711 A N 0.292 122.887 122.820 -0.374 0.000 2.123 711 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 711 A C 1.330 178.774 177.584 -0.233 0.000 1.152 711 A CA 1.160 53.059 52.037 -0.231 0.000 0.728 711 A CB -1.298 17.622 19.000 -0.133 0.000 0.814 711 A HN 0.804 nan 8.150 nan 0.000 0.464 712 H N -2.281 116.648 119.070 -0.236 0.000 2.529 712 H HA 0.626 5.182 4.556 -0.000 0.000 0.277 712 H C 0.653 175.875 175.328 -0.176 0.000 1.004 712 H CA 0.032 55.920 56.048 -0.266 0.000 1.167 712 H CB -0.547 28.854 29.762 -0.602 0.000 1.445 712 H HN 0.228 nan 8.280 nan 0.000 0.554 713 A N 2.545 125.198 122.820 -0.279 0.000 2.899 713 A HA 0.170 4.490 4.320 -0.000 0.000 0.287 713 A C 0.079 177.575 177.584 -0.147 0.000 1.715 713 A CA -0.532 51.408 52.037 -0.162 0.000 1.393 713 A CB -0.431 18.461 19.000 -0.180 0.000 1.070 713 A HN 0.294 nan 8.150 nan 0.000 0.587 714 R N 1.299 121.699 120.500 -0.167 0.000 2.596 714 R HA 0.555 4.895 4.340 -0.000 0.000 0.267 714 R C -1.255 174.755 176.300 -0.483 0.000 1.026 714 R CA -0.678 55.215 56.100 -0.345 0.000 1.087 714 R CB 0.824 30.840 30.300 -0.473 0.000 1.132 714 R HN 0.493 nan 8.270 nan 0.000 0.531 715 D N 0.888 120.900 120.400 -0.647 0.000 2.787 715 D HA 0.372 5.012 4.640 -0.000 0.000 0.246 715 D C -0.775 174.935 176.300 -0.983 0.000 1.150 715 D CA -0.262 53.322 54.000 -0.693 0.000 0.864 715 D CB 1.344 41.886 40.800 -0.430 0.000 1.481 715 D HN 0.142 nan 8.370 nan 0.000 0.509 716 F N 1.352 120.718 119.950 -0.974 0.000 2.470 716 F HA 0.457 4.984 4.527 -0.000 0.000 0.329 716 F C 1.061 176.414 175.800 -0.745 0.000 1.072 716 F CA -0.470 57.050 58.000 -0.800 0.000 0.989 716 F CB 1.567 39.854 39.000 -1.189 0.000 1.193 716 F HN 0.173 nan 8.300 nan 0.000 0.481 717 H N 1.527 120.723 119.070 0.211 0.000 2.931 717 H HA 0.480 5.036 4.556 -0.000 0.000 0.331 717 H C -1.071 174.368 175.328 0.185 0.000 1.273 717 H CA -0.809 55.338 56.048 0.165 0.000 1.171 717 H CB 2.322 32.109 29.762 0.042 0.000 1.898 717 H HN 0.208 nan 8.280 nan 0.000 0.562 718 I N 2.398 123.078 120.570 0.183 0.000 2.312 718 I HA 0.019 4.189 4.170 -0.000 0.000 0.290 718 I C 0.508 176.639 176.117 0.023 0.000 1.008 718 I CA -0.610 60.668 61.300 -0.036 0.000 1.226 718 I CB 0.423 38.380 38.000 -0.071 0.000 1.371 718 I HN 0.410 nan 8.210 nan 0.000 0.468 719 N N 6.606 125.308 118.700 0.002 0.000 2.438 719 N HA 0.073 4.813 4.740 -0.000 0.000 0.267 719 N C 0.958 176.525 175.510 0.095 0.000 1.222 719 N CA 0.154 53.258 53.050 0.090 0.000 0.930 719 N CB 0.795 39.347 38.487 0.108 0.000 1.083 719 N HN 0.531 nan 8.380 nan 0.000 0.476 720 L N 2.900 124.180 121.223 0.095 0.000 2.191 720 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 720 L C 1.175 178.035 176.870 -0.016 0.000 1.103 720 L CA 0.907 55.752 54.840 0.009 0.000 0.769 720 L CB -0.341 41.660 42.059 -0.096 0.000 0.908 720 L HN 0.523 nan 8.230 nan 0.000 0.438 721 F N -0.326 119.659 119.950 0.059 0.000 2.722 721 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 721 F C 2.304 178.146 175.800 0.071 0.000 1.175 721 F CA 0.617 58.656 58.000 0.066 0.000 1.462 721 F CB -0.145 38.883 39.000 0.046 0.000 1.111 721 F HN 0.160 nan 8.300 nan 0.000 0.592 722 Q N -0.584 119.333 119.800 0.195 0.000 2.350 722 Q HA 0.145 4.485 4.340 -0.000 0.000 0.225 722 Q C 1.577 177.691 176.000 0.191 0.000 0.878 722 Q CA 0.659 56.551 55.803 0.149 0.000 0.935 722 Q CB 0.638 29.398 28.738 0.037 0.000 1.099 722 Q HN 0.403 nan 8.270 nan 0.000 0.527 723 V N -2.582 117.445 119.914 0.188 0.000 3.085 723 V HA 0.231 4.351 4.120 -0.000 0.000 0.345 723 V C 1.550 177.811 176.094 0.279 0.000 1.397 723 V CA 0.021 62.495 62.300 0.290 0.000 1.165 723 V CB -0.675 31.312 31.823 0.273 0.000 1.153 723 V HN 0.029 nan 8.190 nan 0.000 0.495 724 L N 0.261 121.583 121.223 0.166 0.000 2.012 724 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 724 L C 0.104 176.980 176.870 0.009 0.000 1.073 724 L CA 2.130 57.011 54.840 0.068 0.000 0.748 724 L CB -1.592 40.507 42.059 0.068 0.000 0.891 724 L HN 0.369 nan 8.230 nan 0.000 0.431 725 P HA -0.243 nan 4.420 nan 0.000 0.216 725 P C 1.125 178.440 177.300 0.025 0.000 1.153 725 P CA 1.525 64.646 63.100 0.035 0.000 0.858 725 P CB -0.127 31.630 31.700 0.094 0.000 0.789 726 W N -0.011 121.255 121.300 -0.057 0.000 2.409 726 W HA -0.058 4.602 4.660 -0.000 0.000 0.299 726 W C 1.952 178.375 176.519 -0.161 0.000 1.203 726 W CA 1.149 58.439 57.345 -0.091 0.000 1.298 726 W CB -0.876 28.598 29.460 0.024 0.000 1.127 726 W HN -0.219 nan 8.180 nan 0.000 0.528 727 L N 0.842 121.936 121.223 -0.215 0.000 1.988 727 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 727 L C 2.682 179.053 176.870 -0.832 0.000 1.071 727 L CA 2.002 56.520 54.840 -0.535 0.000 0.744 727 L CB -1.149 40.778 42.059 -0.220 0.000 0.893 727 L HN -0.101 nan 8.230 nan 0.000 0.433 728 K N 0.286 120.107 120.400 -0.966 0.000 2.113 728 K HA -0.284 4.036 4.320 -0.000 0.000 0.208 728 K C 2.023 178.213 176.600 -0.683 0.000 1.047 728 K CA 1.970 57.496 56.287 -1.268 0.000 0.928 728 K CB -0.009 32.037 32.500 -0.756 0.000 0.716 728 K HN 0.337 nan 8.250 nan 0.000 0.446 729 E N 0.169 120.075 120.200 -0.490 0.000 2.028 729 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 729 E C 1.560 177.926 176.600 -0.389 0.000 0.984 729 E CA 0.895 57.088 56.400 -0.346 0.000 0.800 729 E CB 0.199 29.749 29.700 -0.249 0.000 0.758 729 E HN 0.112 nan 8.360 nan 0.000 0.448 730 K N 0.273 120.332 120.400 -0.568 0.000 2.288 730 K HA -0.024 4.296 4.320 -0.000 0.000 0.201 730 K C 1.756 177.982 176.600 -0.624 0.000 1.048 730 K CA 0.646 56.572 56.287 -0.601 0.000 0.956 730 K CB 0.069 32.038 32.500 -0.884 0.000 0.746 730 K HN 0.310 nan 8.250 nan 0.000 0.461 731 L N 1.667 122.543 121.223 -0.578 0.000 2.700 731 L HA 0.087 4.427 4.340 -0.000 0.000 0.234 731 L C 2.074 178.871 176.870 -0.122 0.000 1.156 731 L CA -0.149 54.456 54.840 -0.391 0.000 0.946 731 L CB -0.134 41.787 42.059 -0.231 0.000 1.216 731 L HN 0.145 nan 8.230 nan 0.000 0.493 732 Q N -0.296 119.407 119.800 -0.162 0.000 2.152 732 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 732 Q C -0.018 175.985 176.000 0.004 0.000 0.985 732 Q CA 1.611 57.378 55.803 -0.060 0.000 0.863 732 Q CB -0.298 28.386 28.738 -0.090 0.000 0.904 732 Q HN 0.315 nan 8.270 nan 0.000 0.422 733 D N 0.621 121.018 120.400 -0.005 0.000 3.072 733 D HA 0.102 4.742 4.640 -0.000 0.000 0.250 733 D C -0.033 176.302 176.300 0.058 0.000 1.304 733 D CA 0.072 54.083 54.000 0.019 0.000 0.861 733 D CB 0.512 41.309 40.800 -0.005 0.000 1.062 733 D HN 0.277 nan 8.370 nan 0.000 0.481 734 E N -0.097 120.155 120.200 0.087 0.000 2.641 734 E HA -0.004 4.346 4.350 -0.000 0.000 0.224 734 E C 0.008 176.672 176.600 0.107 0.000 0.951 734 E CA -0.078 56.400 56.400 0.130 0.000 1.102 734 E CB 0.702 30.501 29.700 0.164 0.000 1.091 734 E HN 0.037 nan 8.360 nan 0.000 0.507 735 D N 0.728 121.176 120.400 0.079 0.000 2.751 735 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 735 D C 0.383 176.695 176.300 0.020 0.000 1.149 735 D CA 0.373 54.406 54.000 0.054 0.000 0.682 735 D CB -1.268 39.568 40.800 0.060 0.000 1.068 735 D HN 0.261 nan 8.370 nan 0.000 0.429 736 L N -0.486 120.732 121.223 -0.007 0.000 2.529 736 L HA 0.242 4.582 4.340 -0.000 0.000 0.223 736 L C 1.820 178.534 176.870 -0.261 0.000 1.113 736 L CA 0.406 55.145 54.840 -0.168 0.000 0.861 736 L CB -0.207 41.674 42.059 -0.298 0.000 1.012 736 L HN 0.400 nan 8.230 nan 0.000 0.461 737 G N 1.211 109.952 108.800 -0.099 0.000 2.374 737 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.289 737 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.289 737 G C -0.112 174.724 174.900 -0.106 0.000 1.004 737 G CA -0.257 44.810 45.100 -0.055 0.000 1.292 737 G HN 0.086 nan 8.290 nan 0.000 0.502 738 F N -0.680 119.253 119.950 -0.028 0.000 2.496 738 F HA 0.468 4.995 4.527 -0.000 0.000 0.344 738 F C 1.541 177.333 175.800 -0.013 0.000 1.155 738 F CA -0.267 57.714 58.000 -0.031 0.000 1.302 738 F CB 0.554 39.526 39.000 -0.047 0.000 1.159 738 F HN 0.156 nan 8.300 nan 0.000 0.595 739 L N 2.467 123.798 121.223 0.181 0.000 2.334 739 L HA 0.406 4.746 4.340 -0.000 0.000 0.277 739 L C 1.012 177.950 176.870 0.113 0.000 1.075 739 L CA -0.659 54.249 54.840 0.113 0.000 0.804 739 L CB 1.120 43.230 42.059 0.085 0.000 1.174 739 L HN 0.867 nan 8.230 nan 0.000 0.438 740 A N 3.681 126.549 122.820 0.080 0.000 1.848 740 A HA 0.221 4.541 4.320 -0.000 0.000 0.211 740 A C 1.177 178.801 177.584 0.066 0.000 1.225 740 A CA 1.293 53.368 52.037 0.064 0.000 0.637 740 A CB -0.740 18.290 19.000 0.049 0.000 0.867 740 A HN 1.299 nan 8.150 nan 0.000 0.463 741 A N 0.000 122.857 122.820 0.062 0.000 2.254 741 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 741 A CA 0.000 52.076 52.037 0.065 0.000 0.836 741 A CB 0.000 19.049 19.000 0.082 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486