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_F 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 VDAEXXXXXX XXXXXXXXXX PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPDXXPP EGWNRTRHVI 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 0.000 174.832 174.900 -0.113 0.000 0.946 10 G CA 0.000 45.056 45.100 -0.073 0.000 0.502 11 S N -0.779 114.864 115.700 -0.094 0.000 2.516 11 S HA 0.354 4.824 4.470 0.000 0.000 0.282 11 S C 0.711 175.210 174.600 -0.168 0.000 1.286 11 S CA -0.394 57.731 58.200 -0.125 0.000 1.066 11 S CB -0.048 63.127 63.200 -0.042 0.000 0.884 11 S HN 0.886 nan 8.310 nan 0.000 0.491 12 c N 3.689 122.072 118.600 -0.362 0.000 2.676 12 c HA 0.399 4.969 4.570 0.000 0.000 0.416 12 c C 1.500 175.541 174.090 -0.081 0.000 1.299 12 c CA -0.511 55.565 56.329 -0.420 0.000 2.048 12 c CB -0.023 41.803 42.510 -1.140 0.000 2.713 12 c HN 1.009 nan 8.230 nan 0.000 0.624 13 S N 1.045 116.761 115.700 0.028 0.000 2.562 13 S HA 0.190 4.660 4.470 0.000 0.000 0.281 13 S C 0.500 175.295 174.600 0.325 0.000 1.333 13 S CA -0.431 57.857 58.200 0.146 0.000 1.052 13 S CB 0.118 63.374 63.200 0.093 0.000 0.884 13 S HN 0.607 nan 8.310 nan 0.000 0.506 14 L N 3.467 124.839 121.223 0.248 0.000 2.688 14 L HA 0.260 4.600 4.340 0.000 0.000 0.234 14 L C 0.422 177.347 176.870 0.092 0.000 1.192 14 L CA 0.108 55.062 54.840 0.191 0.000 0.984 14 L CB -0.290 41.886 42.059 0.194 0.000 1.232 14 L HN 0.664 nan 8.230 nan 0.000 0.465 15 E N 0.687 120.949 120.200 0.102 0.000 2.223 15 E HA 0.289 4.639 4.350 0.000 0.000 0.282 15 E C 0.894 177.516 176.600 0.037 0.000 1.046 15 E CA 0.140 56.578 56.400 0.063 0.000 0.857 15 E CB 0.999 30.736 29.700 0.062 0.000 1.055 15 E HN 0.321 nan 8.360 nan 0.000 0.409 16 G N 2.455 111.260 108.800 0.009 0.000 2.221 16 G HA2 -0.299 3.661 3.960 0.000 0.000 0.265 16 G HA3 -0.299 3.661 3.960 0.000 0.000 0.265 16 G C 0.694 175.562 174.900 -0.054 0.000 1.041 16 G CA 0.507 45.601 45.100 -0.009 0.000 0.807 16 G HN 0.559 nan 8.290 nan 0.000 0.502 17 V N -2.600 117.233 119.914 -0.134 0.000 3.565 17 V HA 0.344 4.464 4.120 0.000 0.000 0.260 17 V C 1.382 177.302 176.094 -0.290 0.000 1.231 17 V CA 0.848 62.970 62.300 -0.297 0.000 1.100 17 V CB 0.227 31.683 31.823 -0.611 0.000 0.807 17 V HN 0.624 nan 8.190 nan 0.000 0.454 18 E N 1.792 121.885 120.200 -0.178 0.000 2.447 18 E HA 0.131 4.482 4.350 0.000 0.000 0.259 18 E C -0.497 176.122 176.600 0.032 0.000 1.196 18 E CA -0.195 56.195 56.400 -0.017 0.000 0.995 18 E CB 1.772 31.532 29.700 0.100 0.000 0.974 18 E HN 0.547 nan 8.360 nan 0.000 0.465 19 I N -0.270 120.347 120.570 0.079 0.000 2.545 19 I HA 0.215 4.385 4.170 0.000 0.000 0.292 19 I C -0.197 175.882 176.117 -0.064 0.000 1.040 19 I CA -1.108 60.139 61.300 -0.088 0.000 1.068 19 I CB 1.605 39.445 38.000 -0.267 0.000 1.251 19 I HN 0.493 nan 8.210 nan 0.000 0.424 20 K N 5.983 126.320 120.400 -0.105 0.000 2.412 20 K HA 0.292 4.612 4.320 0.000 0.000 0.284 20 K C 0.536 177.057 176.600 -0.131 0.000 1.046 20 K CA 0.992 57.222 56.287 -0.096 0.000 0.999 20 K CB 0.289 32.732 32.500 -0.095 0.000 0.941 20 K HN 0.971 nan 8.250 nan 0.000 0.474 21 G N 2.434 111.160 108.800 -0.124 0.000 2.248 21 G HA2 -0.102 3.858 3.960 0.000 0.000 0.263 21 G HA3 -0.102 3.858 3.960 0.000 0.000 0.263 21 G C 0.116 174.913 174.900 -0.172 0.000 1.082 21 G CA -0.150 44.841 45.100 -0.183 0.000 0.863 21 G HN 1.144 nan 8.290 nan 0.000 0.495 22 G N -1.844 106.906 108.800 -0.083 0.000 2.316 22 G HA2 0.859 4.819 3.960 0.000 0.000 0.296 22 G HA3 0.859 4.819 3.960 0.000 0.000 0.296 22 G C -0.165 174.774 174.900 0.065 0.000 1.399 22 G CA 0.716 45.800 45.100 -0.028 0.000 0.833 22 G HN 1.833 nan 8.290 nan 0.000 0.565 23 S N -1.208 114.551 115.700 0.099 0.000 2.993 23 S HA 0.972 5.442 4.470 0.000 0.000 0.281 23 S C -0.495 174.288 174.600 0.305 0.000 1.033 23 S CA -0.087 58.204 58.200 0.151 0.000 0.950 23 S CB 1.521 64.692 63.200 -0.047 0.000 1.349 23 S HN 2.125 nan 8.310 nan 0.000 0.652 24 F N -1.569 118.372 119.950 -0.015 0.000 2.817 24 F HA 0.797 5.324 4.527 0.000 0.000 0.317 24 F C -1.503 174.239 175.800 -0.096 0.000 1.168 24 F CA -1.279 56.667 58.000 -0.090 0.000 0.911 24 F CB 1.143 39.996 39.000 -0.244 0.000 1.337 24 F HN 0.875 nan 8.300 nan 0.000 0.464 25 R N 1.738 122.250 120.500 0.020 0.000 2.533 25 R HA 0.656 4.996 4.340 0.000 0.000 0.288 25 R C -2.108 174.221 176.300 0.048 0.000 1.039 25 R CA -0.889 55.182 56.100 -0.049 0.000 0.909 25 R CB 1.789 32.060 30.300 -0.049 0.000 1.195 25 R HN 0.833 nan 8.270 nan 0.000 0.438 26 L N 4.507 125.768 121.223 0.063 0.000 2.367 26 L HA 0.359 4.699 4.340 0.000 0.000 0.275 26 L C -0.126 176.786 176.870 0.070 0.000 1.129 26 L CA -0.237 54.668 54.840 0.108 0.000 0.839 26 L CB 0.521 42.668 42.059 0.146 0.000 1.133 26 L HN 0.495 nan 8.230 nan 0.000 0.453 27 L N 3.026 124.297 121.223 0.081 0.000 2.256 27 L HA 0.378 4.718 4.340 0.000 0.000 0.261 27 L C 0.134 177.044 176.870 0.066 0.000 1.022 27 L CA -0.863 54.011 54.840 0.056 0.000 0.828 27 L CB 1.476 43.559 42.059 0.039 0.000 1.374 27 L HN 0.581 nan 8.230 nan 0.000 0.436 28 Q N 0.466 120.290 119.800 0.040 0.000 2.453 28 Q HA -0.224 4.116 4.340 0.000 0.000 0.294 28 Q C -0.619 175.406 176.000 0.042 0.000 1.295 28 Q CA 0.924 56.748 55.803 0.035 0.000 0.853 28 Q CB -1.334 27.427 28.738 0.039 0.000 1.193 28 Q HN 0.660 nan 8.270 nan 0.000 0.461 29 E N -2.448 117.776 120.200 0.041 0.000 2.320 29 E HA -0.293 4.057 4.350 0.000 0.000 0.234 29 E C 0.788 177.423 176.600 0.058 0.000 1.183 29 E CA 0.580 57.005 56.400 0.041 0.000 0.713 29 E CB -1.695 28.021 29.700 0.026 0.000 1.226 29 E HN 0.950 nan 8.360 nan 0.000 0.382 30 G N -0.065 108.793 108.800 0.096 0.000 2.162 30 G HA2 -0.377 3.583 3.960 0.000 0.000 0.260 30 G HA3 -0.377 3.583 3.960 0.000 0.000 0.260 30 G C 0.696 175.688 174.900 0.155 0.000 0.976 30 G CA 0.563 45.756 45.100 0.156 0.000 0.655 30 G HN 0.318 nan 8.290 nan 0.000 0.533 31 Q N -0.446 119.411 119.800 0.096 0.000 2.451 31 Q HA 0.536 4.876 4.340 0.000 0.000 0.206 31 Q C 1.083 177.163 176.000 0.134 0.000 0.947 31 Q CA 1.285 57.103 55.803 0.026 0.000 0.937 31 Q CB 0.554 29.298 28.738 0.010 0.000 1.025 31 Q HN 1.451 nan 8.270 nan 0.000 0.511 32 A N 0.528 123.528 122.820 0.300 0.000 2.589 32 A HA 0.592 4.912 4.320 0.000 0.000 0.296 32 A C -1.501 176.233 177.584 0.249 0.000 1.062 32 A CA -0.859 51.411 52.037 0.389 0.000 0.686 32 A CB 0.979 20.093 19.000 0.190 0.000 1.282 32 A HN 0.136 nan 8.150 nan 0.000 0.404 33 L N -1.094 120.138 121.223 0.016 0.000 2.341 33 L HA 0.963 5.303 4.340 0.000 0.000 0.267 33 L C -0.330 176.393 176.870 -0.244 0.000 1.009 33 L CA -0.540 54.174 54.840 -0.210 0.000 0.819 33 L CB 1.880 43.570 42.059 -0.615 0.000 1.323 33 L HN 0.775 nan 8.230 nan 0.000 0.425 34 E N 1.194 121.290 120.200 -0.174 0.000 2.218 34 E HA 0.371 4.721 4.350 0.000 0.000 0.263 34 E C -1.589 174.957 176.600 -0.090 0.000 0.879 34 E CA -0.743 55.586 56.400 -0.117 0.000 0.762 34 E CB 1.042 30.738 29.700 -0.006 0.000 1.166 34 E HN 0.648 nan 8.360 nan 0.000 0.415 35 Y N 1.998 122.325 120.300 0.045 0.000 2.526 35 Y HA 0.137 4.687 4.550 0.000 0.000 0.330 35 Y C 0.212 176.151 175.900 0.065 0.000 1.156 35 Y CA -0.173 57.965 58.100 0.065 0.000 1.419 35 Y CB 0.993 39.463 38.460 0.016 0.000 1.250 35 Y HN 0.239 nan 8.280 nan 0.000 0.540 36 V N 4.299 124.345 119.914 0.219 0.000 2.311 36 V HA 0.231 4.351 4.120 0.000 0.000 0.275 36 V C -0.299 175.853 176.094 0.097 0.000 1.022 36 V CA -0.872 61.501 62.300 0.121 0.000 0.830 36 V CB 0.317 32.176 31.823 0.060 0.000 1.012 36 V HN 0.850 nan 8.190 nan 0.000 0.452 37 c N 6.569 125.224 118.600 0.092 0.000 2.366 37 c HA 0.596 5.166 4.570 0.000 0.000 0.345 37 c C -1.581 172.555 174.090 0.076 0.000 1.209 37 c CA -1.056 55.309 56.329 0.060 0.000 2.050 37 c CB 1.165 43.719 42.510 0.075 0.000 2.359 37 c HN 0.665 nan 8.230 nan 0.000 0.527 38 P HA 0.070 nan 4.420 nan 0.000 0.271 38 P C -0.317 177.102 177.300 0.199 0.000 1.238 38 P CA -0.005 63.149 63.100 0.090 0.000 0.794 38 P CB 0.346 32.059 31.700 0.022 0.000 0.959 39 S N 0.150 115.942 115.700 0.154 0.000 2.546 39 S HA 0.335 4.805 4.470 0.000 0.000 0.290 39 S C 1.287 175.966 174.600 0.132 0.000 1.262 39 S CA 0.930 59.202 58.200 0.120 0.000 1.083 39 S CB -1.448 61.795 63.200 0.072 0.000 0.859 39 S HN 0.855 nan 8.310 nan 0.000 0.495 40 G N 3.615 112.422 108.800 0.012 0.000 2.195 40 G HA2 -0.187 3.773 3.960 0.000 0.000 0.224 40 G HA3 -0.187 3.773 3.960 0.000 0.000 0.224 40 G C -0.106 174.506 174.900 -0.480 0.000 0.990 40 G CA 0.002 44.958 45.100 -0.240 0.000 0.639 40 G HN 0.625 nan 8.290 nan 0.000 0.514 41 F N -0.126 119.794 119.950 -0.051 0.000 2.618 41 F HA 0.826 5.353 4.527 0.000 0.000 0.332 41 F C 0.126 175.913 175.800 -0.021 0.000 1.061 41 F CA -1.222 56.736 58.000 -0.070 0.000 0.974 41 F CB 1.519 40.453 39.000 -0.109 0.000 1.310 41 F HN 0.279 nan 8.300 nan 0.000 0.491 42 Y N -1.243 119.049 120.300 -0.014 0.000 2.534 42 Y HA 0.740 5.290 4.550 0.000 0.000 0.345 42 Y C -3.400 172.505 175.900 0.008 0.000 1.031 42 Y CA -3.745 54.303 58.100 -0.088 0.000 1.022 42 Y CB 0.924 39.135 38.460 -0.414 0.000 1.292 42 Y HN 0.210 nan 8.280 nan 0.000 0.459 43 P HA 0.096 nan 4.420 nan 0.000 0.267 43 P C -1.595 175.718 177.300 0.021 0.000 1.205 43 P CA 0.679 63.775 63.100 -0.008 0.000 0.765 43 P CB 0.129 31.931 31.700 0.171 0.000 0.828 44 Y N 5.789 125.929 120.300 -0.267 0.000 2.442 44 Y HA 0.421 4.971 4.550 0.000 0.000 0.344 44 Y C -2.141 173.665 175.900 -0.155 0.000 0.976 44 Y CA -2.582 55.429 58.100 -0.149 0.000 1.040 44 Y CB 2.039 40.350 38.460 -0.249 0.000 1.228 44 Y HN 0.281 nan 8.280 nan 0.000 0.451 45 P HA -0.038 nan 4.420 nan 0.000 0.216 45 P C -0.107 177.095 177.300 -0.163 0.000 1.156 45 P CA 1.119 63.700 63.100 -0.865 0.000 0.855 45 P CB 0.139 31.380 31.700 -0.765 0.000 0.786 46 V N -2.274 117.598 119.914 -0.071 0.000 3.036 46 V HA 0.310 4.430 4.120 0.000 0.000 0.308 46 V C 1.551 177.751 176.094 0.177 0.000 1.070 46 V CA -0.426 61.920 62.300 0.076 0.000 1.056 46 V CB 0.777 32.645 31.823 0.075 0.000 1.084 46 V HN -0.146 nan 8.190 nan 0.000 0.471 47 Q N 1.778 121.698 119.800 0.200 0.000 2.036 47 Q HA 0.120 4.461 4.340 0.000 0.000 0.195 47 Q C 1.054 177.178 176.000 0.206 0.000 0.971 47 Q CA 1.788 57.728 55.803 0.230 0.000 0.826 47 Q CB -0.176 28.681 28.738 0.199 0.000 0.896 47 Q HN 1.132 nan 8.270 nan 0.000 0.449 48 T N -1.694 112.937 114.554 0.128 0.000 2.926 48 T HA 0.785 5.135 4.350 0.000 0.000 0.289 48 T C -0.711 174.016 174.700 0.044 0.000 1.054 48 T CA -1.068 61.058 62.100 0.044 0.000 1.015 48 T CB 1.883 70.780 68.868 0.049 0.000 1.167 48 T HN 0.181 nan 8.240 nan 0.000 0.526 49 R N 0.528 121.027 120.500 -0.003 0.000 2.621 49 R HA 0.604 4.944 4.340 0.000 0.000 0.284 49 R C -0.439 176.026 176.300 0.275 0.000 0.998 49 R CA -0.852 55.302 56.100 0.091 0.000 0.895 49 R CB 2.190 32.475 30.300 -0.025 0.000 1.195 49 R HN 0.972 nan 8.270 nan 0.000 0.450 50 T N -2.005 112.714 114.554 0.276 0.000 2.918 50 T HA 0.250 4.601 4.350 0.000 0.000 0.283 50 T C 0.145 174.969 174.700 0.206 0.000 1.001 50 T CA -0.684 61.559 62.100 0.237 0.000 1.041 50 T CB 1.505 70.442 68.868 0.114 0.000 1.028 50 T HN 0.636 nan 8.240 nan 0.000 0.511 51 c N 4.239 122.796 118.600 -0.071 0.000 2.176 51 c HA 0.490 5.060 4.570 0.000 0.000 0.329 51 c C 0.695 174.641 174.090 -0.240 0.000 1.113 51 c CA -0.893 55.172 56.329 -0.439 0.000 1.562 51 c CB -1.504 40.582 42.510 -0.706 0.000 2.040 51 c HN 0.787 nan 8.230 nan 0.000 0.460 52 R N 2.987 123.382 120.500 -0.174 0.000 2.774 52 R HA 0.109 4.449 4.340 0.000 0.000 0.269 52 R C 1.272 177.497 176.300 -0.125 0.000 1.068 52 R CA 0.103 56.141 56.100 -0.104 0.000 1.180 52 R CB 0.303 30.569 30.300 -0.057 0.000 1.077 52 R HN 0.869 nan 8.270 nan 0.000 0.513 53 S N -1.511 114.140 115.700 -0.081 0.000 2.871 53 S HA -0.012 4.459 4.470 0.000 0.000 0.254 53 S C 0.837 175.398 174.600 -0.065 0.000 1.088 53 S CA 0.149 58.304 58.200 -0.074 0.000 1.166 53 S CB -0.520 62.651 63.200 -0.049 0.000 0.826 53 S HN 0.691 nan 8.310 nan 0.000 0.471 54 T N -4.574 109.934 114.554 -0.077 0.000 3.111 54 T HA 0.577 4.927 4.350 0.000 0.000 0.284 54 T C 1.438 176.096 174.700 -0.071 0.000 0.983 54 T CA 0.287 62.352 62.100 -0.058 0.000 0.900 54 T CB 0.166 69.011 68.868 -0.038 0.000 1.132 54 T HN 1.032 nan 8.240 nan 0.000 0.531 55 G N 1.283 110.016 108.800 -0.113 0.000 2.253 55 G HA2 -0.257 3.703 3.960 0.000 0.000 0.251 55 G HA3 -0.257 3.703 3.960 0.000 0.000 0.251 55 G C 0.195 175.002 174.900 -0.154 0.000 0.998 55 G CA 0.126 45.149 45.100 -0.127 0.000 0.621 55 G HN 0.771 nan 8.290 nan 0.000 0.524 56 S N -0.123 115.504 115.700 -0.121 0.000 2.608 56 S HA 0.652 5.122 4.470 0.000 0.000 0.291 56 S C -0.095 174.443 174.600 -0.102 0.000 1.146 56 S CA -0.651 57.510 58.200 -0.064 0.000 1.043 56 S CB 1.052 64.261 63.200 0.015 0.000 1.037 56 S HN 0.363 nan 8.310 nan 0.000 0.520 57 W N 2.061 123.348 121.300 -0.021 0.000 2.093 57 W HA 0.277 4.937 4.660 0.000 0.000 0.352 57 W C 0.995 177.506 176.519 -0.015 0.000 1.294 57 W CA -0.362 56.968 57.345 -0.025 0.000 1.290 57 W CB 0.199 29.633 29.460 -0.044 0.000 1.149 57 W HN 0.678 nan 8.180 nan 0.000 0.606 58 S N 0.142 116.007 115.700 0.276 0.000 2.558 58 S HA 0.039 4.509 4.470 0.000 0.000 0.288 58 S C 0.174 174.853 174.600 0.131 0.000 1.318 58 S CA -0.705 57.588 58.200 0.155 0.000 1.056 58 S CB 0.853 64.137 63.200 0.140 0.000 0.853 58 S HN 0.501 nan 8.310 nan 0.000 0.505 59 T N 2.762 117.364 114.554 0.082 0.000 2.940 59 T HA 0.146 4.496 4.350 0.000 0.000 0.309 59 T C 0.194 174.919 174.700 0.041 0.000 1.056 59 T CA -0.513 61.621 62.100 0.057 0.000 1.137 59 T CB -0.428 68.462 68.868 0.037 0.000 0.976 59 T HN 0.566 nan 8.240 nan 0.000 0.547 60 L N 5.964 127.199 121.223 0.021 0.000 2.462 60 L HA 0.255 4.595 4.340 0.000 0.000 0.283 60 L C 0.719 177.567 176.870 -0.037 0.000 1.166 60 L CA -0.286 54.545 54.840 -0.015 0.000 0.964 60 L CB -0.126 41.906 42.059 -0.045 0.000 1.294 60 L HN 0.397 nan 8.230 nan 0.000 0.449 61 K N 2.011 122.396 120.400 -0.026 0.000 2.156 61 K HA 0.381 4.702 4.320 0.000 0.000 0.271 61 K C 0.562 177.130 176.600 -0.054 0.000 0.995 61 K CA -0.300 55.971 56.287 -0.026 0.000 0.890 61 K CB 1.913 34.412 32.500 -0.001 0.000 1.073 61 K HN 0.501 nan 8.250 nan 0.000 0.454 62 T N -0.971 113.551 114.554 -0.054 0.000 2.994 62 T HA 0.055 4.405 4.350 0.000 0.000 0.322 62 T C 1.240 175.943 174.700 0.005 0.000 1.199 62 T CA -0.031 62.036 62.100 -0.056 0.000 0.945 62 T CB 0.324 69.180 68.868 -0.020 0.000 1.754 62 T HN 0.338 nan 8.240 nan 0.000 0.571 63 Q N -0.089 119.736 119.800 0.041 0.000 2.302 63 Q HA 0.111 4.451 4.340 0.000 0.000 0.202 63 Q C 0.923 176.949 176.000 0.043 0.000 0.936 63 Q CA 1.011 56.844 55.803 0.049 0.000 0.886 63 Q CB -0.160 28.620 28.738 0.070 0.000 0.986 63 Q HN 0.634 nan 8.270 nan 0.000 0.487 64 D N -0.256 120.172 120.400 0.047 0.000 2.336 64 D HA 0.019 4.659 4.640 0.000 0.000 0.228 64 D C -0.309 176.010 176.300 0.031 0.000 1.120 64 D CA 0.056 54.080 54.000 0.041 0.000 0.839 64 D CB 0.268 41.097 40.800 0.047 0.000 0.932 64 D HN 0.072 nan 8.370 nan 0.000 0.509 65 Q N 0.040 119.855 119.800 0.024 0.000 2.475 65 Q HA -0.222 4.119 4.340 0.000 0.000 0.280 65 Q C -0.926 175.083 176.000 0.016 0.000 1.234 65 Q CA 0.733 56.546 55.803 0.017 0.000 0.873 65 Q CB -1.442 27.306 28.738 0.017 0.000 1.256 65 Q HN 0.300 nan 8.270 nan 0.000 0.475 66 K N -0.346 120.064 120.400 0.016 0.000 2.123 66 K HA 0.624 4.944 4.320 0.000 0.000 0.248 66 K C -0.208 176.395 176.600 0.005 0.000 0.969 66 K CA -0.525 55.773 56.287 0.018 0.000 0.882 66 K CB 1.358 33.878 32.500 0.033 0.000 1.080 66 K HN 0.025 nan 8.250 nan 0.000 0.441 67 T N 1.250 115.809 114.554 0.010 0.000 2.837 67 T HA 0.352 4.703 4.350 0.000 0.000 0.285 67 T C -0.500 174.203 174.700 0.004 0.000 0.984 67 T CA -0.662 61.440 62.100 0.003 0.000 1.049 67 T CB 1.044 69.918 68.868 0.009 0.000 0.947 67 T HN 0.159 nan 8.240 nan 0.000 0.472 68 V N 4.308 124.215 119.914 -0.011 0.000 2.656 68 V HA 0.379 4.499 4.120 0.000 0.000 0.307 68 V C 0.955 177.046 176.094 -0.006 0.000 1.051 68 V CA -0.902 61.397 62.300 -0.003 0.000 0.893 68 V CB 2.001 33.809 31.823 -0.026 0.000 0.999 68 V HN 0.798 nan 8.190 nan 0.000 0.426 69 R N 1.661 122.163 120.500 0.005 0.000 2.051 69 R HA 0.067 4.407 4.340 0.000 0.000 0.225 69 R C 0.516 176.808 176.300 -0.013 0.000 1.155 69 R CA 0.677 56.777 56.100 0.000 0.000 0.945 69 R CB 0.049 30.352 30.300 0.004 0.000 0.840 69 R HN 0.440 nan 8.270 nan 0.000 0.432 70 K N 1.056 121.447 120.400 -0.015 0.000 2.182 70 K HA 0.388 4.708 4.320 0.000 0.000 0.262 70 K C -1.287 175.277 176.600 -0.059 0.000 0.957 70 K CA -0.402 55.862 56.287 -0.037 0.000 0.842 70 K CB 1.848 34.329 32.500 -0.032 0.000 1.099 70 K HN 0.170 nan 8.250 nan 0.000 0.438 71 A N 3.900 126.641 122.820 -0.132 0.000 2.363 71 A HA 0.413 4.733 4.320 0.000 0.000 0.270 71 A C -0.858 176.603 177.584 -0.204 0.000 1.121 71 A CA -0.245 51.650 52.037 -0.236 0.000 0.800 71 A CB 0.162 18.832 19.000 -0.550 0.000 1.052 71 A HN 0.816 nan 8.150 nan 0.000 0.493 72 E N 0.892 121.011 120.200 -0.136 0.000 2.272 72 E HA 0.316 4.666 4.350 0.000 0.000 0.269 72 E C -1.519 174.962 176.600 -0.198 0.000 0.877 72 E CA -0.666 55.648 56.400 -0.144 0.000 0.755 72 E CB 1.895 31.535 29.700 -0.100 0.000 1.192 72 E HN 0.616 nan 8.360 nan 0.000 0.422 73 c N 3.050 121.516 118.600 -0.224 0.000 2.416 73 c HA 0.279 4.849 4.570 0.000 0.000 0.355 73 c C 0.438 174.412 174.090 -0.194 0.000 1.211 73 c CA -0.388 55.796 56.329 -0.241 0.000 1.699 73 c CB -1.270 41.100 42.510 -0.233 0.000 2.310 73 c HN 0.474 nan 8.230 nan 0.000 0.539 74 R N 2.236 122.544 120.500 -0.319 0.000 2.598 74 R HA 0.656 4.996 4.340 0.000 0.000 0.279 74 R C 0.147 176.465 176.300 0.031 0.000 0.984 74 R CA -0.421 55.577 56.100 -0.170 0.000 0.999 74 R CB 1.096 31.176 30.300 -0.367 0.000 1.114 74 R HN 0.766 nan 8.270 nan 0.000 0.493 75 A N 2.856 125.721 122.820 0.075 0.000 2.498 75 A HA 0.133 4.453 4.320 0.000 0.000 0.239 75 A C 0.325 177.689 177.584 -0.367 0.000 1.068 75 A CA -0.075 51.705 52.037 -0.430 0.000 0.766 75 A CB -0.042 18.664 19.000 -0.490 0.000 1.003 75 A HN 0.640 nan 8.150 nan 0.000 0.497 76 I N 2.438 122.729 120.570 -0.466 0.000 2.396 76 I HA 0.206 4.376 4.170 0.000 0.000 0.289 76 I C -0.132 175.729 176.117 -0.427 0.000 1.056 76 I CA 0.151 61.241 61.300 -0.351 0.000 1.365 76 I CB 0.201 38.000 38.000 -0.335 0.000 1.407 76 I HN 0.683 nan 8.210 nan 0.000 0.509 77 H N 3.824 122.933 119.070 0.067 0.000 2.622 77 H HA 0.413 4.969 4.556 0.000 0.000 0.363 77 H C -0.847 174.534 175.328 0.088 0.000 1.151 77 H CA -0.525 55.586 56.048 0.104 0.000 1.184 77 H CB 1.530 31.394 29.762 0.170 0.000 1.643 77 H HN 0.524 nan 8.280 nan 0.000 0.531 78 c N 3.961 122.620 118.600 0.099 0.000 2.330 78 c HA 0.270 4.840 4.570 0.000 0.000 0.344 78 c C -2.046 172.226 174.090 0.303 0.000 1.273 78 c CA -1.588 54.666 56.329 -0.125 0.000 1.879 78 c CB 0.250 42.119 42.510 -1.069 0.000 2.376 78 c HN 0.644 nan 8.230 nan 0.000 0.534 79 P HA -0.018 nan 4.420 nan 0.000 0.257 79 P C -0.287 177.376 177.300 0.605 0.000 1.162 79 P CA 0.658 64.003 63.100 0.408 0.000 0.762 79 P CB 0.230 32.111 31.700 0.303 0.000 0.753 80 R N 4.668 125.478 120.500 0.516 0.000 2.390 80 R HA 0.420 4.761 4.340 0.000 0.000 0.291 80 R C -2.520 173.998 176.300 0.364 0.000 1.070 80 R CA -2.135 54.304 56.100 0.564 0.000 1.014 80 R CB -0.424 30.184 30.300 0.514 0.000 1.007 80 R HN 0.237 nan 8.270 nan 0.000 0.466 81 P HA 0.006 nan 4.420 nan 0.000 0.265 81 P C -0.851 176.542 177.300 0.154 0.000 1.222 81 P CA 0.114 63.207 63.100 -0.012 0.000 0.767 81 P CB 0.187 31.559 31.700 -0.545 0.000 0.801 82 H N 0.160 119.282 119.070 0.086 0.000 2.512 82 H HA 0.547 5.103 4.556 0.000 0.000 0.276 82 H C -0.656 174.739 175.328 0.111 0.000 1.126 82 H CA -0.605 55.517 56.048 0.123 0.000 1.060 82 H CB 0.205 30.038 29.762 0.119 0.000 1.646 82 H HN 0.093 nan 8.280 nan 0.000 0.571 83 D N 0.412 120.727 120.400 -0.143 0.000 2.633 83 D HA 0.249 4.889 4.640 0.000 0.000 0.198 83 D C -1.985 174.335 176.300 0.033 0.000 1.273 83 D CA -0.481 53.465 54.000 -0.091 0.000 0.830 83 D CB 1.016 41.670 40.800 -0.243 0.000 1.771 83 D HN 0.218 nan 8.370 nan 0.000 0.547 84 F N 2.657 122.564 119.950 -0.072 0.000 2.622 84 F HA 0.396 4.923 4.527 0.000 0.000 0.318 84 F C -1.430 174.359 175.800 -0.020 0.000 1.135 84 F CA -0.503 57.457 58.000 -0.067 0.000 1.015 84 F CB 1.420 40.377 39.000 -0.073 0.000 1.275 84 F HN 0.311 nan 8.300 nan 0.000 0.457 85 E N 3.466 123.316 120.200 -0.582 0.000 2.320 85 E HA 0.467 4.818 4.350 0.000 0.000 0.264 85 E C -0.590 175.723 176.600 -0.478 0.000 0.923 85 E CA -0.996 55.207 56.400 -0.329 0.000 0.796 85 E CB 1.463 31.032 29.700 -0.219 0.000 1.262 85 E HN 0.586 nan 8.360 nan 0.000 0.428 86 N N -0.912 117.640 118.700 -0.246 0.000 2.753 86 N HA -0.167 4.573 4.740 0.000 0.000 0.251 86 N C -0.302 174.917 175.510 -0.485 0.000 1.097 86 N CA 1.649 54.450 53.050 -0.415 0.000 0.786 86 N CB -1.278 36.727 38.487 -0.803 0.000 1.137 86 N HN 0.886 nan 8.380 nan 0.000 0.566 87 G N -1.301 107.211 108.800 -0.481 0.000 2.427 87 G HA2 0.512 4.472 3.960 0.000 0.000 0.306 87 G HA3 0.512 4.472 3.960 0.000 0.000 0.306 87 G C -2.015 172.775 174.900 -0.183 0.000 1.280 87 G CA -0.252 44.501 45.100 -0.578 0.000 0.837 87 G HN 0.178 nan 8.290 nan 0.000 0.482 88 E N -1.341 118.744 120.200 -0.191 0.000 2.367 88 E HA 0.705 5.055 4.350 0.000 0.000 0.273 88 E C -1.733 174.618 176.600 -0.414 0.000 0.903 88 E CA -0.890 55.368 56.400 -0.237 0.000 0.764 88 E CB 1.841 31.357 29.700 -0.306 0.000 1.252 88 E HN 0.808 nan 8.360 nan 0.000 0.446 89 Y N 0.958 120.884 120.300 -0.623 0.000 2.442 89 Y HA 0.864 5.414 4.550 0.000 0.000 0.344 89 Y C -1.562 174.112 175.900 -0.377 0.000 0.976 89 Y CA -1.380 56.257 58.100 -0.772 0.000 1.040 89 Y CB 0.956 38.729 38.460 -1.145 0.000 1.228 89 Y HN 0.481 nan 8.280 nan 0.000 0.451 90 W N 2.343 123.357 121.300 -0.477 0.000 2.936 90 W HA 0.907 5.568 4.660 0.000 0.000 0.338 90 W C -3.538 172.835 176.519 -0.243 0.000 1.121 90 W CA -3.660 53.471 57.345 -0.356 0.000 1.209 90 W CB 0.661 29.971 29.460 -0.250 0.000 1.420 90 W HN 0.429 nan 8.180 nan 0.000 0.516 91 P HA 0.475 nan 4.420 nan 0.000 0.283 91 P C -0.555 176.778 177.300 0.054 0.000 1.271 91 P CA -0.649 62.478 63.100 0.045 0.000 0.841 91 P CB 1.156 32.862 31.700 0.010 0.000 1.122 92 R N 0.722 121.184 120.500 -0.062 0.000 2.265 92 R HA 0.621 4.961 4.340 0.000 0.000 0.319 92 R C -0.409 175.848 176.300 -0.072 0.000 1.006 92 R CA -0.147 55.929 56.100 -0.039 0.000 0.880 92 R CB 0.797 30.993 30.300 -0.173 0.000 1.077 92 R HN 0.496 nan 8.270 nan 0.000 0.454 93 S N 2.818 118.407 115.700 -0.185 0.000 2.595 93 S HA 0.308 4.778 4.470 0.000 0.000 0.281 93 S C -2.062 172.297 174.600 -0.402 0.000 1.117 93 S CA -1.175 56.769 58.200 -0.428 0.000 0.873 93 S CB 2.204 64.964 63.200 -0.732 0.000 1.108 93 S HN 0.404 nan 8.310 nan 0.000 0.477 94 P HA 0.055 nan 4.420 nan 0.000 0.222 94 P C -0.622 176.665 177.300 -0.023 0.000 1.147 94 P CA 1.196 64.225 63.100 -0.118 0.000 0.790 94 P CB -0.122 31.573 31.700 -0.007 0.000 0.780 95 Y N -5.381 114.747 120.300 -0.286 0.000 2.662 95 Y HA 0.561 5.112 4.550 0.000 0.000 0.334 95 Y C -1.674 174.061 175.900 -0.275 0.000 1.185 95 Y CA -2.002 55.969 58.100 -0.215 0.000 1.074 95 Y CB 0.135 38.428 38.460 -0.279 0.000 1.330 95 Y HN -0.300 nan 8.280 nan 0.000 0.458 96 Y N 1.822 122.365 120.300 0.405 0.000 2.331 96 Y HA 0.469 5.019 4.550 0.000 0.000 0.334 96 Y C -0.080 176.001 175.900 0.302 0.000 0.960 96 Y CA -0.965 57.328 58.100 0.322 0.000 1.130 96 Y CB 1.385 40.096 38.460 0.419 0.000 1.164 96 Y HN 0.624 nan 8.280 nan 0.000 0.458 97 N N 0.697 119.598 118.700 0.335 0.000 2.327 97 N HA 0.241 4.982 4.740 0.000 0.000 0.257 97 N C -0.460 175.045 175.510 -0.008 0.000 1.281 97 N CA -0.512 52.601 53.050 0.105 0.000 0.942 97 N CB 0.682 39.211 38.487 0.071 0.000 1.199 97 N HN 0.273 nan 8.380 nan 0.000 0.532 98 V N 0.878 120.729 119.914 -0.106 0.000 2.843 98 V HA 0.034 4.154 4.120 0.000 0.000 0.305 98 V C 1.168 177.228 176.094 -0.058 0.000 1.065 98 V CA 0.845 63.075 62.300 -0.116 0.000 1.116 98 V CB 0.639 32.382 31.823 -0.133 0.000 0.968 98 V HN 1.011 nan 8.190 nan 0.000 0.487 99 S N 0.998 116.666 115.700 -0.053 0.000 2.929 99 S HA -0.185 4.285 4.470 0.000 0.000 0.271 99 S C -0.004 174.617 174.600 0.036 0.000 1.295 99 S CA 0.944 59.140 58.200 -0.008 0.000 1.277 99 S CB -1.971 61.226 63.200 -0.005 0.000 1.557 99 S HN 0.814 nan 8.310 nan 0.000 0.666 100 D N 2.692 123.128 120.400 0.061 0.000 2.389 100 D HA 0.508 5.148 4.640 0.000 0.000 0.247 100 D C 0.426 176.859 176.300 0.222 0.000 1.128 100 D CA 0.369 54.464 54.000 0.158 0.000 0.884 100 D CB 0.698 41.667 40.800 0.282 0.000 1.194 100 D HN 0.652 nan 8.370 nan 0.000 0.441 101 E N 1.142 121.451 120.200 0.181 0.000 2.183 101 E HA 0.593 4.943 4.350 0.000 0.000 0.271 101 E C -0.268 176.379 176.600 0.078 0.000 0.919 101 E CA -0.788 55.707 56.400 0.158 0.000 0.781 101 E CB 2.079 31.822 29.700 0.071 0.000 1.140 101 E HN 0.408 nan 8.360 nan 0.000 0.402 102 I N -1.204 119.365 120.570 -0.002 0.000 2.619 102 I HA 0.560 4.730 4.170 0.000 0.000 0.292 102 I C -0.668 175.337 176.117 -0.187 0.000 1.100 102 I CA -0.745 60.442 61.300 -0.189 0.000 1.043 102 I CB 2.123 39.821 38.000 -0.504 0.000 1.239 102 I HN 0.344 nan 8.210 nan 0.000 0.420 103 S N 4.154 119.800 115.700 -0.090 0.000 2.607 103 S HA 0.795 5.265 4.470 0.000 0.000 0.303 103 S C -0.920 173.580 174.600 -0.167 0.000 1.086 103 S CA -0.643 57.603 58.200 0.076 0.000 0.995 103 S CB 1.683 65.084 63.200 0.334 0.000 1.084 103 S HN 0.512 nan 8.310 nan 0.000 0.507 104 F N 0.651 120.633 119.950 0.053 0.000 2.546 104 F HA 0.568 5.095 4.527 0.000 0.000 0.320 104 F C 0.462 176.246 175.800 -0.026 0.000 1.076 104 F CA -0.526 57.409 58.000 -0.107 0.000 0.928 104 F CB 1.712 40.620 39.000 -0.153 0.000 1.189 104 F HN 0.682 nan 8.300 nan 0.000 0.465 105 H N 1.152 120.178 119.070 -0.073 0.000 2.930 105 H HA 0.513 5.069 4.556 0.000 0.000 0.371 105 H C -1.618 173.654 175.328 -0.093 0.000 1.169 105 H CA -0.612 55.374 56.048 -0.104 0.000 1.157 105 H CB 2.118 31.710 29.762 -0.283 0.000 1.789 105 H HN 0.742 nan 8.280 nan 0.000 0.547 106 c N 3.774 122.038 118.600 -0.560 0.000 2.391 106 c HA 0.362 4.932 4.570 0.000 0.000 0.339 106 c C 0.069 173.996 174.090 -0.273 0.000 1.205 106 c CA -0.687 55.442 56.329 -0.334 0.000 1.937 106 c CB -0.143 42.273 42.510 -0.157 0.000 2.341 106 c HN 0.625 nan 8.230 nan 0.000 0.516 107 Y N 0.965 121.258 120.300 -0.012 0.000 2.321 107 Y HA 0.096 4.646 4.550 0.000 0.000 0.353 107 Y C 1.160 177.162 175.900 0.170 0.000 1.276 107 Y CA 0.600 58.755 58.100 0.092 0.000 1.545 107 Y CB 0.143 38.652 38.460 0.082 0.000 1.377 107 Y HN 0.586 nan 8.280 nan 0.000 0.650 108 D N -0.396 120.224 120.400 0.367 0.000 2.400 108 D HA 0.252 4.892 4.640 0.000 0.000 0.238 108 D C 1.288 177.718 176.300 0.215 0.000 1.157 108 D CA 1.346 55.482 54.000 0.226 0.000 0.889 108 D CB 0.364 41.256 40.800 0.153 0.000 1.199 108 D HN 0.760 nan 8.370 nan 0.000 0.436 109 G N 0.099 108.944 108.800 0.074 0.000 2.189 109 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 109 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 109 G C -0.109 174.664 174.900 -0.212 0.000 0.975 109 G CA 0.450 45.502 45.100 -0.079 0.000 0.644 109 G HN 0.446 nan 8.290 nan 0.000 0.537 110 Y N 0.829 121.148 120.300 0.033 0.000 2.377 110 Y HA 0.606 5.157 4.550 0.000 0.000 0.339 110 Y C 0.822 176.709 175.900 -0.023 0.000 1.011 110 Y CA -0.335 57.772 58.100 0.012 0.000 1.093 110 Y CB 2.027 40.504 38.460 0.027 0.000 1.201 110 Y HN 0.049 nan 8.280 nan 0.000 0.455 111 T N 4.493 119.117 114.554 0.116 0.000 2.875 111 T HA 0.383 4.733 4.350 0.000 0.000 0.284 111 T C -1.124 173.595 174.700 0.031 0.000 0.995 111 T CA -0.565 61.562 62.100 0.045 0.000 1.060 111 T CB 0.929 69.806 68.868 0.016 0.000 0.967 111 T HN 0.345 nan 8.240 nan 0.000 0.476 112 L N 4.557 125.779 121.223 -0.001 0.000 2.272 112 L HA 0.576 4.917 4.340 0.000 0.000 0.289 112 L C 0.084 176.944 176.870 -0.017 0.000 1.032 112 L CA -0.502 54.331 54.840 -0.013 0.000 0.810 112 L CB 0.451 42.499 42.059 -0.019 0.000 1.205 112 L HN 0.694 nan 8.230 nan 0.000 0.422 113 R N 4.226 124.706 120.500 -0.033 0.000 2.637 113 R HA 0.961 5.301 4.340 0.000 0.000 0.291 113 R C -0.225 176.040 176.300 -0.058 0.000 0.963 113 R CA -0.087 55.989 56.100 -0.040 0.000 0.901 113 R CB 1.550 31.822 30.300 -0.047 0.000 1.160 113 R HN 1.001 nan 8.270 nan 0.000 0.457 114 G N 1.030 109.801 108.800 -0.049 0.000 2.603 114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 114 G C -1.056 173.818 174.900 -0.043 0.000 1.286 114 G CA -0.555 44.507 45.100 -0.063 0.000 0.871 114 G HN 0.625 nan 8.290 nan 0.000 0.568 115 S N 0.630 116.302 115.700 -0.046 0.000 2.555 115 S HA 0.402 4.872 4.470 0.000 0.000 0.293 115 S C 1.656 176.279 174.600 0.038 0.000 1.248 115 S CA 0.776 58.978 58.200 0.003 0.000 1.096 115 S CB 1.135 64.345 63.200 0.017 0.000 0.881 115 S HN 1.802 nan 8.310 nan 0.000 0.498 116 A N 4.732 127.609 122.820 0.096 0.000 1.854 116 A HA -0.004 4.317 4.320 0.000 0.000 0.214 116 A C 0.801 178.543 177.584 0.263 0.000 1.192 116 A CA 0.775 52.918 52.037 0.176 0.000 0.611 116 A CB -0.182 18.908 19.000 0.151 0.000 0.832 116 A HN 0.695 nan 8.150 nan 0.000 0.442 117 N N 0.545 119.358 118.700 0.188 0.000 2.421 117 N HA 0.523 5.264 4.740 0.000 0.000 0.285 117 N C -0.775 174.838 175.510 0.172 0.000 1.027 117 N CA -0.122 53.033 53.050 0.175 0.000 0.918 117 N CB 1.279 39.838 38.487 0.121 0.000 1.152 117 N HN 0.323 nan 8.380 nan 0.000 0.485 118 R N 0.382 120.996 120.500 0.191 0.000 2.686 118 R HA 0.568 4.908 4.340 0.000 0.000 0.283 118 R C -0.770 175.728 176.300 0.330 0.000 0.978 118 R CA -0.711 55.530 56.100 0.234 0.000 0.897 118 R CB 1.930 32.370 30.300 0.233 0.000 1.192 118 R HN 0.368 nan 8.270 nan 0.000 0.457 119 T N 0.889 115.653 114.554 0.350 0.000 2.829 119 T HA 0.140 4.491 4.350 0.000 0.000 0.280 119 T C -0.502 174.320 174.700 0.203 0.000 0.999 119 T CA -0.446 61.834 62.100 0.299 0.000 0.983 119 T CB 1.461 70.413 68.868 0.140 0.000 0.968 119 T HN 0.612 nan 8.240 nan 0.000 0.446 120 c N 5.124 123.674 118.600 -0.083 0.000 2.619 120 c HA 0.253 4.823 4.570 0.000 0.000 0.389 120 c C 0.705 174.628 174.090 -0.279 0.000 1.314 120 c CA -0.126 55.829 56.329 -0.623 0.000 1.678 120 c CB -1.756 40.245 42.510 -0.848 0.000 2.398 120 c HN 0.826 nan 8.230 nan 0.000 0.582 121 Q N 2.938 122.597 119.800 -0.234 0.000 2.222 121 Q HA 0.214 4.554 4.340 0.000 0.000 0.211 121 Q C 1.046 176.978 176.000 -0.114 0.000 1.013 121 Q CA -0.517 55.216 55.803 -0.117 0.000 0.993 121 Q CB 1.018 29.718 28.738 -0.064 0.000 1.151 121 Q HN 0.635 nan 8.270 nan 0.000 0.544 122 V N 1.472 121.355 119.914 -0.053 0.000 2.970 122 V HA -0.146 3.974 4.120 0.000 0.000 0.260 122 V C 1.053 177.154 176.094 0.012 0.000 1.100 122 V CA 1.769 64.054 62.300 -0.026 0.000 1.122 122 V CB -0.549 31.280 31.823 0.011 0.000 0.721 122 V HN 0.799 nan 8.190 nan 0.000 0.483 123 N N 0.765 119.454 118.700 -0.019 0.000 2.434 123 N HA 0.145 4.885 4.740 0.000 0.000 0.196 123 N C 1.243 176.666 175.510 -0.145 0.000 1.183 123 N CA 0.764 53.754 53.050 -0.099 0.000 0.849 123 N CB -0.173 38.200 38.487 -0.190 0.000 0.992 123 N HN 0.556 nan 8.380 nan 0.000 0.460 124 G N 0.099 108.865 108.800 -0.056 0.000 2.198 124 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 124 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 124 G C -0.266 174.502 174.900 -0.220 0.000 1.025 124 G CA 0.220 45.295 45.100 -0.043 0.000 0.769 124 G HN 0.558 nan 8.290 nan 0.000 0.507 125 R N -1.887 118.465 120.500 -0.247 0.000 2.795 125 R HA 0.532 4.872 4.340 0.000 0.000 0.275 125 R C -0.748 175.415 176.300 -0.228 0.000 0.981 125 R CA -0.987 54.987 56.100 -0.209 0.000 0.917 125 R CB 1.233 31.459 30.300 -0.123 0.000 1.202 125 R HN 0.170 nan 8.270 nan 0.000 0.469 126 W N 1.599 122.889 121.300 -0.017 0.000 2.272 126 W HA 0.192 4.853 4.660 0.000 0.000 0.318 126 W C 0.883 177.398 176.519 -0.005 0.000 1.255 126 W CA -0.143 57.198 57.345 -0.006 0.000 1.200 126 W CB 1.081 30.539 29.460 -0.003 0.000 1.170 126 W HN 0.527 nan 8.180 nan 0.000 0.549 127 S N 2.963 118.816 115.700 0.255 0.000 2.600 127 S HA 0.720 5.190 4.470 0.000 0.000 0.265 127 S C 0.704 175.389 174.600 0.140 0.000 1.325 127 S CA 0.079 58.369 58.200 0.151 0.000 1.002 127 S CB 0.817 64.092 63.200 0.125 0.000 0.921 127 S HN 1.409 nan 8.310 nan 0.000 0.554 128 G N 0.952 109.805 108.800 0.087 0.000 2.750 128 G HA2 -0.099 3.861 3.960 0.000 0.000 0.228 128 G HA3 -0.099 3.861 3.960 0.000 0.000 0.228 128 G C -0.927 173.993 174.900 0.032 0.000 1.367 128 G CA -0.266 44.868 45.100 0.058 0.000 0.871 128 G HN 0.914 nan 8.290 nan 0.000 0.560 129 Q N -0.490 119.309 119.800 -0.001 0.000 2.193 129 Q HA 0.583 4.923 4.340 0.000 0.000 0.246 129 Q C 0.518 176.462 176.000 -0.094 0.000 0.959 129 Q CA -0.413 55.368 55.803 -0.036 0.000 0.904 129 Q CB 0.697 29.412 28.738 -0.038 0.000 1.238 129 Q HN 0.704 nan 8.270 nan 0.000 0.469 130 T N 1.385 115.864 114.554 -0.124 0.000 2.928 130 T HA 0.266 4.616 4.350 0.000 0.000 0.305 130 T C -0.041 174.504 174.700 -0.258 0.000 1.035 130 T CA -0.111 61.865 62.100 -0.206 0.000 1.145 130 T CB 0.258 69.018 68.868 -0.180 0.000 0.963 130 T HN 0.566 nan 8.240 nan 0.000 0.545 131 A N 4.306 126.862 122.820 -0.441 0.000 2.362 131 A HA 0.616 4.936 4.320 0.000 0.000 0.276 131 A C -0.037 177.405 177.584 -0.236 0.000 1.153 131 A CA -0.480 51.312 52.037 -0.408 0.000 0.813 131 A CB -0.105 18.383 19.000 -0.852 0.000 1.081 131 A HN 0.852 nan 8.150 nan 0.000 0.507 132 I N 2.037 122.509 120.570 -0.162 0.000 2.478 132 I HA 0.213 4.384 4.170 0.000 0.000 0.287 132 I C -0.923 175.113 176.117 -0.135 0.000 1.042 132 I CA -0.394 60.799 61.300 -0.179 0.000 1.067 132 I CB 2.023 39.924 38.000 -0.164 0.000 1.233 132 I HN 0.522 nan 8.210 nan 0.000 0.431 133 c N 4.173 122.654 118.600 -0.200 0.000 2.203 133 c HA 0.430 5.000 4.570 0.000 0.000 0.325 133 c C 0.118 174.184 174.090 -0.040 0.000 1.156 133 c CA -0.278 55.976 56.329 -0.125 0.000 1.597 133 c CB -0.558 41.817 42.510 -0.225 0.000 2.148 133 c HN 0.610 nan 8.230 nan 0.000 0.472 134 D N 1.738 122.186 120.400 0.081 0.000 2.350 134 D HA 0.356 4.996 4.640 0.000 0.000 0.238 134 D C 0.566 177.015 176.300 0.248 0.000 0.989 134 D CA -0.334 53.752 54.000 0.142 0.000 0.921 134 D CB 1.131 41.937 40.800 0.010 0.000 1.297 134 D HN 0.521 nan 8.370 nan 0.000 0.490 135 N N 1.012 119.822 118.700 0.183 0.000 2.184 135 N HA 0.148 4.888 4.740 0.000 0.000 0.206 135 N C 0.877 176.371 175.510 -0.026 0.000 1.151 135 N CA 0.299 53.315 53.050 -0.057 0.000 0.878 135 N CB 0.340 38.651 38.487 -0.294 0.000 1.014 135 N HN 0.566 nan 8.380 nan 0.000 0.512 136 G N 0.105 108.920 108.800 0.026 0.000 2.371 136 G HA2 -0.118 3.842 3.960 0.000 0.000 0.299 136 G HA3 -0.118 3.842 3.960 0.000 0.000 0.299 136 G C 0.608 175.524 174.900 0.028 0.000 1.014 136 G CA 0.417 45.529 45.100 0.020 0.000 1.097 136 G HN 0.855 nan 8.290 nan 0.000 0.512 137 A N -0.768 122.091 122.820 0.065 0.000 2.469 137 A HA 0.736 5.057 4.320 0.000 0.000 0.245 137 A C 1.257 178.904 177.584 0.105 0.000 1.221 137 A CA 1.164 53.237 52.037 0.060 0.000 0.946 137 A CB 0.576 19.602 19.000 0.044 0.000 1.049 137 A HN 1.755 nan 8.150 nan 0.000 0.529 138 G N -2.709 106.185 108.800 0.156 0.000 2.511 138 G HA2 0.397 4.357 3.960 0.000 0.000 0.318 138 G HA3 0.397 4.357 3.960 0.000 0.000 0.318 138 G C 0.279 175.293 174.900 0.189 0.000 1.210 138 G CA -0.433 44.793 45.100 0.210 0.000 0.969 138 G HN 0.121 nan 8.290 nan 0.000 0.484 139 Y N 0.113 120.463 120.300 0.083 0.000 2.151 139 Y HA -0.163 4.387 4.550 0.000 0.000 0.284 139 Y C 1.423 177.322 175.900 -0.001 0.000 1.166 139 Y CA 0.897 59.035 58.100 0.063 0.000 1.163 139 Y CB -0.001 38.477 38.460 0.030 0.000 0.974 139 Y HN 0.401 nan 8.280 nan 0.000 0.511 140 c N 0.552 119.178 118.600 0.043 0.000 2.397 140 c HA 0.524 5.095 4.570 0.000 0.000 0.343 140 c C 0.433 174.562 174.090 0.064 0.000 1.188 140 c CA -0.775 55.481 56.329 -0.121 0.000 1.992 140 c CB 0.789 42.949 42.510 -0.583 0.000 2.358 140 c HN 0.520 nan 8.230 nan 0.000 0.518 141 S N 1.804 117.549 115.700 0.076 0.000 2.608 141 S HA 0.140 4.611 4.470 0.000 0.000 0.261 141 S C -0.148 174.453 174.600 0.002 0.000 1.314 141 S CA -0.350 57.877 58.200 0.044 0.000 0.992 141 S CB 0.215 63.427 63.200 0.019 0.000 0.935 141 S HN 0.766 nan 8.310 nan 0.000 0.564 142 N N 1.789 120.313 118.700 -0.293 0.000 2.438 142 N HA 0.208 4.948 4.740 0.000 0.000 0.267 142 N C -1.802 173.495 175.510 -0.356 0.000 1.222 142 N CA -1.965 50.708 53.050 -0.629 0.000 0.930 142 N CB 0.500 38.708 38.487 -0.465 0.000 1.083 142 N HN 0.288 nan 8.380 nan 0.000 0.476 143 P HA 0.022 nan 4.420 nan 0.000 0.219 143 P C 0.243 177.392 177.300 -0.251 0.000 1.146 143 P CA 1.047 63.869 63.100 -0.464 0.000 0.808 143 P CB -0.201 31.025 31.700 -0.790 0.000 0.779 144 G N -0.424 108.243 108.800 -0.220 0.000 2.795 144 G HA2 -0.186 3.774 3.960 0.000 0.000 0.664 144 G HA3 -0.186 3.774 3.960 0.000 0.000 0.664 144 G C -0.737 174.124 174.900 -0.066 0.000 1.381 144 G CA -0.628 44.367 45.100 -0.175 0.000 0.853 144 G HN 0.161 nan 8.290 nan 0.000 0.545 145 I N 1.699 122.209 120.570 -0.099 0.000 2.537 145 I HA 0.267 4.437 4.170 0.000 0.000 0.276 145 I C -2.209 173.867 176.117 -0.069 0.000 1.063 145 I CA -1.814 59.481 61.300 -0.009 0.000 1.144 145 I CB 1.936 39.900 38.000 -0.060 0.000 1.252 145 I HN 0.176 nan 8.210 nan 0.000 0.480 146 P HA 0.025 nan 4.420 nan 0.000 0.263 146 P C 0.117 177.375 177.300 -0.070 0.000 1.175 146 P CA 0.220 63.245 63.100 -0.125 0.000 0.761 146 P CB 0.462 32.058 31.700 -0.173 0.000 0.794 147 I N 2.260 122.783 120.570 -0.078 0.000 2.741 147 I HA 0.012 4.183 4.170 0.000 0.000 0.288 147 I C 1.678 177.837 176.117 0.069 0.000 1.192 147 I CA 1.345 62.616 61.300 -0.049 0.000 1.426 147 I CB -0.582 37.332 38.000 -0.143 0.000 1.367 147 I HN 0.770 nan 8.210 nan 0.000 0.563 148 G N 3.772 112.646 108.800 0.122 0.000 2.213 148 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 148 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 148 G C 0.276 175.347 174.900 0.286 0.000 0.992 148 G CA 0.138 45.382 45.100 0.240 0.000 0.632 148 G HN 0.779 nan 8.290 nan 0.000 0.511 149 T N -2.309 112.328 114.554 0.138 0.000 2.889 149 T HA 0.764 5.114 4.350 0.000 0.000 0.278 149 T C -0.164 174.507 174.700 -0.049 0.000 0.995 149 T CA 0.025 62.219 62.100 0.157 0.000 0.966 149 T CB 2.483 71.433 68.868 0.136 0.000 1.237 149 T HN 0.864 nan 8.240 nan 0.000 0.591 150 R N 0.241 120.782 120.500 0.068 0.000 2.515 150 R HA 0.459 4.799 4.340 0.000 0.000 0.291 150 R C -1.210 175.090 176.300 0.001 0.000 1.046 150 R CA -0.728 55.347 56.100 -0.041 0.000 0.914 150 R CB 1.479 31.786 30.300 0.010 0.000 1.191 150 R HN 0.793 nan 8.270 nan 0.000 0.435 151 K N 3.718 124.044 120.400 -0.123 0.000 2.183 151 K HA 0.342 4.662 4.320 0.000 0.000 0.274 151 K C -1.195 175.268 176.600 -0.228 0.000 1.009 151 K CA -0.580 55.485 56.287 -0.369 0.000 0.888 151 K CB 1.553 33.818 32.500 -0.393 0.000 1.078 151 K HN 0.358 nan 8.250 nan 0.000 0.459 152 V N 3.119 122.885 119.914 -0.246 0.000 2.284 152 V HA 0.590 4.710 4.120 0.000 0.000 0.274 152 V C -0.143 175.862 176.094 -0.149 0.000 1.023 152 V CA -0.414 61.811 62.300 -0.125 0.000 0.808 152 V CB 0.818 32.629 31.823 -0.020 0.000 1.035 152 V HN 0.987 nan 8.190 nan 0.000 0.445 153 G N 2.807 111.525 108.800 -0.138 0.000 2.151 153 G HA2 0.165 4.125 3.960 0.000 0.000 0.183 153 G HA3 0.165 4.125 3.960 0.000 0.000 0.183 153 G C 0.102 174.891 174.900 -0.186 0.000 1.472 153 G CA 0.039 45.060 45.100 -0.132 0.000 1.060 153 G HN 0.767 nan 8.290 nan 0.000 0.641 154 S N 0.875 116.421 115.700 -0.256 0.000 2.497 154 S HA 0.185 4.655 4.470 0.000 0.000 0.218 154 S C 0.772 174.847 174.600 -0.875 0.000 1.023 154 S CA 0.138 58.069 58.200 -0.448 0.000 0.913 154 S CB 0.205 63.267 63.200 -0.229 0.000 0.800 154 S HN 0.634 nan 8.310 nan 0.000 0.505 155 Q N 1.057 120.564 119.800 -0.489 0.000 2.293 155 Q HA 0.189 4.529 4.340 0.000 0.000 0.263 155 Q C -1.126 174.718 176.000 -0.260 0.000 1.002 155 Q CA -0.002 55.589 55.803 -0.353 0.000 0.910 155 Q CB 0.326 28.989 28.738 -0.124 0.000 1.185 155 Q HN 0.572 nan 8.270 nan 0.000 0.401 156 Y N 1.643 122.063 120.300 0.200 0.000 2.781 156 Y HA 0.261 4.811 4.550 0.000 0.000 0.326 156 Y C 0.182 176.167 175.900 0.141 0.000 1.019 156 Y CA -0.525 57.755 58.100 0.300 0.000 1.372 156 Y CB 0.132 38.812 38.460 0.367 0.000 1.260 156 Y HN 0.368 nan 8.280 nan 0.000 0.546 157 R N 0.000 120.599 120.500 0.164 0.000 2.571 157 R HA 0.370 4.710 4.340 0.000 0.000 0.259 157 R C -0.467 175.831 176.300 -0.003 0.000 1.226 157 R CA -1.156 54.995 56.100 0.084 0.000 1.157 157 R CB 0.439 30.756 30.300 0.028 0.000 1.220 157 R HN 0.119 nan 8.270 nan 0.000 0.605 158 L N 1.599 122.753 121.223 -0.114 0.000 2.426 158 L HA 0.009 4.349 4.340 0.000 0.000 0.271 158 L C 0.248 177.034 176.870 -0.140 0.000 1.169 158 L CA 0.936 55.631 54.840 -0.242 0.000 0.836 158 L CB -0.065 41.672 42.059 -0.536 0.000 1.112 158 L HN 0.809 nan 8.230 nan 0.000 0.465 159 E N -0.173 119.957 120.200 -0.117 0.000 4.086 159 E HA -0.238 4.113 4.350 0.000 0.000 0.363 159 E C -0.266 176.334 176.600 0.001 0.000 0.616 159 E CA 1.205 57.573 56.400 -0.054 0.000 1.293 159 E CB -1.066 28.601 29.700 -0.055 0.000 1.747 159 E HN 0.771 nan 8.360 nan 0.000 0.405 160 D N 0.290 120.699 120.400 0.016 0.000 2.363 160 D HA 0.395 5.036 4.640 0.000 0.000 0.240 160 D C 0.091 176.532 176.300 0.236 0.000 1.236 160 D CA 0.383 54.445 54.000 0.104 0.000 0.927 160 D CB 0.875 41.753 40.800 0.131 0.000 1.150 160 D HN -0.036 nan 8.370 nan 0.000 0.458 161 S N -1.152 114.707 115.700 0.265 0.000 2.651 161 S HA 0.744 5.214 4.470 0.000 0.000 0.279 161 S C -0.880 173.825 174.600 0.176 0.000 1.148 161 S CA -0.862 57.522 58.200 0.307 0.000 0.837 161 S CB 1.857 65.154 63.200 0.161 0.000 1.138 161 S HN 0.367 nan 8.310 nan 0.000 0.478 162 V N -0.951 118.992 119.914 0.049 0.000 3.114 162 V HA 0.996 5.116 4.120 0.000 0.000 0.308 162 V C -0.743 175.224 176.094 -0.212 0.000 1.168 162 V CA -0.822 61.376 62.300 -0.169 0.000 1.015 162 V CB 1.464 33.053 31.823 -0.389 0.000 1.050 162 V HN 1.054 nan 8.190 nan 0.000 0.433 163 T N -0.070 114.281 114.554 -0.338 0.000 2.893 163 T HA 0.792 5.142 4.350 0.000 0.000 0.293 163 T C -1.378 173.012 174.700 -0.516 0.000 1.027 163 T CA -0.474 61.448 62.100 -0.296 0.000 0.988 163 T CB 1.556 70.343 68.868 -0.135 0.000 1.043 163 T HN 0.724 nan 8.240 nan 0.000 0.461 164 Y N 0.432 120.559 120.300 -0.288 0.000 2.429 164 Y HA 0.635 5.185 4.550 0.000 0.000 0.342 164 Y C 0.176 175.815 175.900 -0.436 0.000 1.004 164 Y CA -0.791 57.164 58.100 -0.241 0.000 1.075 164 Y CB 2.021 40.386 38.460 -0.158 0.000 1.214 164 Y HN 0.819 nan 8.280 nan 0.000 0.455 165 H N 0.111 119.278 119.070 0.162 0.000 2.717 165 H HA 0.554 5.110 4.556 0.000 0.000 0.366 165 H C -1.114 174.320 175.328 0.177 0.000 1.132 165 H CA -0.740 55.389 56.048 0.134 0.000 1.180 165 H CB 1.312 31.136 29.762 0.103 0.000 1.678 165 H HN 0.664 nan 8.280 nan 0.000 0.537 166 c N 1.731 120.478 118.600 0.245 0.000 2.364 166 c HA 0.443 5.013 4.570 0.000 0.000 0.356 166 c C 0.626 174.806 174.090 0.149 0.000 1.201 166 c CA -0.602 55.850 56.329 0.204 0.000 2.227 166 c CB 0.868 43.449 42.510 0.117 0.000 2.387 166 c HN 0.891 nan 8.230 nan 0.000 0.546 167 S N 1.139 116.886 115.700 0.079 0.000 2.563 167 S HA 0.077 4.547 4.470 0.000 0.000 0.269 167 S C 0.343 174.938 174.600 -0.008 0.000 1.364 167 S CA -0.140 58.006 58.200 -0.091 0.000 1.010 167 S CB 0.189 63.302 63.200 -0.146 0.000 0.877 167 S HN 0.611 nan 8.310 nan 0.000 0.549 168 R N 0.611 121.098 120.500 -0.022 0.000 2.489 168 R HA 0.350 4.690 4.340 0.000 0.000 0.287 168 R C 1.413 177.738 176.300 0.042 0.000 1.053 168 R CA 0.726 56.837 56.100 0.017 0.000 1.036 168 R CB -0.161 30.147 30.300 0.013 0.000 0.966 168 R HN 1.012 nan 8.270 nan 0.000 0.432 169 G N 1.682 110.516 108.800 0.057 0.000 2.175 169 G HA2 -0.247 3.714 3.960 0.000 0.000 0.244 169 G HA3 -0.247 3.714 3.960 0.000 0.000 0.244 169 G C -0.337 174.604 174.900 0.069 0.000 0.982 169 G CA -0.356 44.792 45.100 0.081 0.000 0.641 169 G HN 0.356 nan 8.290 nan 0.000 0.527 170 L N 1.142 122.395 121.223 0.050 0.000 2.334 170 L HA 0.739 5.080 4.340 0.000 0.000 0.273 170 L C 0.434 177.322 176.870 0.030 0.000 1.013 170 L CA -0.430 54.429 54.840 0.032 0.000 0.816 170 L CB 2.083 44.164 42.059 0.036 0.000 1.278 170 L HN 0.055 nan 8.230 nan 0.000 0.431 171 T N 2.889 117.449 114.554 0.009 0.000 2.795 171 T HA 0.471 4.821 4.350 0.000 0.000 0.282 171 T C -0.579 174.122 174.700 0.001 0.000 0.980 171 T CA -0.362 61.744 62.100 0.010 0.000 1.012 171 T CB 1.075 69.945 68.868 0.003 0.000 0.936 171 T HN 0.318 nan 8.240 nan 0.000 0.457 172 L N 4.272 125.500 121.223 0.008 0.000 2.313 172 L HA 0.457 4.797 4.340 0.000 0.000 0.282 172 L C 0.330 177.182 176.870 -0.030 0.000 1.092 172 L CA -0.050 54.785 54.840 -0.008 0.000 0.831 172 L CB 0.246 42.306 42.059 0.002 0.000 1.159 172 L HN 0.533 nan 8.230 nan 0.000 0.442 173 R N 4.404 124.874 120.500 -0.051 0.000 2.393 173 R HA 0.713 5.053 4.340 0.000 0.000 0.310 173 R C 0.136 176.384 176.300 -0.086 0.000 0.968 173 R CA 0.313 56.374 56.100 -0.065 0.000 0.867 173 R CB 0.905 31.163 30.300 -0.070 0.000 1.124 173 R HN 0.980 nan 8.270 nan 0.000 0.450 174 G N 1.806 110.556 108.800 -0.083 0.000 2.443 174 G HA2 -0.206 3.754 3.960 0.000 0.000 0.209 174 G HA3 -0.206 3.754 3.960 0.000 0.000 0.209 174 G C -1.204 173.649 174.900 -0.078 0.000 1.176 174 G CA -0.386 44.660 45.100 -0.091 0.000 1.074 174 G HN 0.600 nan 8.290 nan 0.000 0.577 175 S N 0.654 116.303 115.700 -0.085 0.000 2.541 175 S HA 0.483 4.954 4.470 0.000 0.000 0.283 175 S C 1.109 175.690 174.600 -0.032 0.000 1.196 175 S CA 0.549 58.720 58.200 -0.049 0.000 1.062 175 S CB 1.642 64.827 63.200 -0.025 0.000 1.009 175 S HN 0.992 nan 8.310 nan 0.000 0.502 176 Q N 2.103 121.899 119.800 -0.007 0.000 2.402 176 Q HA 0.162 4.503 4.340 0.000 0.000 0.206 176 Q C 0.517 176.541 176.000 0.039 0.000 0.919 176 Q CA 0.476 56.280 55.803 0.001 0.000 0.923 176 Q CB 0.293 28.998 28.738 -0.055 0.000 1.048 176 Q HN 0.563 nan 8.270 nan 0.000 0.515 177 R N 0.057 120.586 120.500 0.048 0.000 2.574 177 R HA 0.551 4.891 4.340 0.000 0.000 0.288 177 R C -1.411 174.949 176.300 0.099 0.000 1.004 177 R CA -0.706 55.428 56.100 0.058 0.000 0.895 177 R CB 1.413 31.731 30.300 0.030 0.000 1.191 177 R HN 0.083 nan 8.270 nan 0.000 0.444 178 R N 2.255 122.837 120.500 0.135 0.000 2.561 178 R HA 0.379 4.720 4.340 0.000 0.000 0.297 178 R C -1.113 175.430 176.300 0.405 0.000 0.969 178 R CA -0.943 55.291 56.100 0.223 0.000 0.879 178 R CB 2.728 33.137 30.300 0.180 0.000 1.178 178 R HN 0.564 nan 8.270 nan 0.000 0.445 179 T N 1.281 116.089 114.554 0.423 0.000 2.797 179 T HA 0.113 4.464 4.350 0.000 0.000 0.279 179 T C -0.280 174.575 174.700 0.259 0.000 0.991 179 T CA -0.448 61.880 62.100 0.380 0.000 0.979 179 T CB 1.341 70.311 68.868 0.170 0.000 0.943 179 T HN 0.622 nan 8.240 nan 0.000 0.444 180 c N 5.445 123.965 118.600 -0.134 0.000 2.663 180 c HA 0.204 4.774 4.570 0.000 0.000 0.398 180 c C 0.594 174.530 174.090 -0.257 0.000 1.356 180 c CA -0.163 55.735 56.329 -0.719 0.000 1.629 180 c CB -1.739 40.158 42.510 -1.020 0.000 2.402 180 c HN 0.784 nan 8.230 nan 0.000 0.598 181 Q N 3.022 122.722 119.800 -0.167 0.000 2.221 181 Q HA 0.275 4.615 4.340 0.000 0.000 0.242 181 Q C -0.049 175.966 176.000 0.025 0.000 0.940 181 Q CA -0.307 55.466 55.803 -0.050 0.000 0.896 181 Q CB 1.210 29.941 28.738 -0.011 0.000 1.226 181 Q HN 0.806 nan 8.270 nan 0.000 0.463 182 E N -0.066 120.155 120.200 0.036 0.000 2.452 182 E HA 0.059 4.409 4.350 0.000 0.000 0.261 182 E C 0.191 176.879 176.600 0.147 0.000 0.987 182 E CA 0.956 57.429 56.400 0.123 0.000 0.926 182 E CB 0.026 29.736 29.700 0.018 0.000 0.934 182 E HN 0.815 nan 8.360 nan 0.000 0.452 183 G N 2.739 111.675 108.800 0.228 0.000 2.134 183 G HA2 -0.182 3.778 3.960 0.000 0.000 0.209 183 G HA3 -0.182 3.778 3.960 0.000 0.000 0.209 183 G C 0.560 175.380 174.900 -0.133 0.000 0.993 183 G CA 0.018 45.120 45.100 0.004 0.000 0.669 183 G HN 1.377 nan 8.290 nan 0.000 0.519 184 G N -0.863 107.807 108.800 -0.217 0.000 2.387 184 G HA2 0.381 4.342 3.960 0.000 0.000 0.270 184 G HA3 0.381 4.342 3.960 0.000 0.000 0.270 184 G C 0.309 175.090 174.900 -0.198 0.000 0.957 184 G CA 1.280 46.178 45.100 -0.338 0.000 1.352 184 G HN 2.574 nan 8.290 nan 0.000 0.457 185 S N -0.309 115.276 115.700 -0.190 0.000 2.561 185 S HA 0.449 4.919 4.470 0.000 0.000 0.292 185 S C -0.577 173.962 174.600 -0.102 0.000 1.107 185 S CA -1.040 57.095 58.200 -0.109 0.000 0.969 185 S CB 0.231 63.401 63.200 -0.049 0.000 1.150 185 S HN 0.868 nan 8.310 nan 0.000 0.451 186 W N 3.336 124.650 121.300 0.023 0.000 2.181 186 W HA 0.466 5.126 4.660 0.000 0.000 0.335 186 W C 1.414 177.948 176.519 0.025 0.000 1.310 186 W CA 0.405 57.773 57.345 0.038 0.000 1.226 186 W CB 0.788 30.271 29.460 0.038 0.000 1.155 186 W HN 0.891 nan 8.180 nan 0.000 0.565 187 S N 2.677 118.549 115.700 0.287 0.000 2.626 187 S HA 0.710 5.180 4.470 0.000 0.000 0.257 187 S C 0.943 175.628 174.600 0.143 0.000 1.288 187 S CA -0.131 58.167 58.200 0.164 0.000 0.980 187 S CB 0.472 63.751 63.200 0.131 0.000 0.975 187 S HN 1.364 nan 8.310 nan 0.000 0.577 188 G N -0.041 108.803 108.800 0.074 0.000 2.591 188 G HA2 -0.111 3.849 3.960 0.000 0.000 0.278 188 G HA3 -0.111 3.849 3.960 0.000 0.000 0.278 188 G C 0.005 174.921 174.900 0.027 0.000 1.293 188 G CA 0.245 45.365 45.100 0.033 0.000 0.930 188 G HN 1.578 nan 8.290 nan 0.000 0.562 189 T N -1.029 113.519 114.554 -0.010 0.000 2.901 189 T HA 0.537 4.887 4.350 0.000 0.000 0.293 189 T C -0.015 174.628 174.700 -0.095 0.000 1.084 189 T CA 0.564 62.647 62.100 -0.028 0.000 1.008 189 T CB 1.624 70.481 68.868 -0.019 0.000 1.170 189 T HN 0.899 nan 8.240 nan 0.000 0.509 190 E N 2.572 122.700 120.200 -0.119 0.000 2.417 190 E HA 0.214 4.564 4.350 0.000 0.000 0.261 190 E C -2.130 174.318 176.600 -0.254 0.000 1.000 190 E CA -1.255 55.013 56.400 -0.220 0.000 0.919 190 E CB 0.483 30.075 29.700 -0.179 0.000 0.955 190 E HN 0.282 nan 8.360 nan 0.000 0.455 191 P HA 0.077 nan 4.420 nan 0.000 0.273 191 P C -1.430 175.723 177.300 -0.244 0.000 1.250 191 P CA -0.304 62.586 63.100 -0.350 0.000 0.793 191 P CB 0.851 32.203 31.700 -0.581 0.000 1.011 192 S N -1.523 114.083 115.700 -0.157 0.000 2.590 192 S HA 0.236 4.707 4.470 0.000 0.000 0.286 192 S C -1.080 173.486 174.600 -0.057 0.000 1.147 192 S CA -0.810 57.331 58.200 -0.097 0.000 0.963 192 S CB -0.453 62.696 63.200 -0.085 0.000 1.124 192 S HN 0.403 nan 8.310 nan 0.000 0.458 193 c N 4.707 123.295 118.600 -0.020 0.000 2.442 193 c HA 0.490 5.060 4.570 0.000 0.000 0.362 193 c C 0.422 174.493 174.090 -0.031 0.000 1.242 193 c CA -0.220 56.111 56.329 0.004 0.000 1.741 193 c CB -0.684 41.862 42.510 0.061 0.000 2.378 193 c HN 0.754 nan 8.230 nan 0.000 0.549 194 Q N 2.451 122.219 119.800 -0.054 0.000 2.214 194 Q HA 0.417 4.757 4.340 0.000 0.000 0.251 194 Q C -0.176 175.744 176.000 -0.134 0.000 0.936 194 Q CA -0.221 55.518 55.803 -0.107 0.000 0.894 194 Q CB 1.967 30.652 28.738 -0.089 0.000 1.252 194 Q HN 0.696 nan 8.270 nan 0.000 0.448 195 D N -0.231 120.009 120.400 -0.267 0.000 2.624 195 D HA 0.248 4.888 4.640 0.000 0.000 0.257 195 D C -0.276 175.857 176.300 -0.278 0.000 1.167 195 D CA -0.370 53.442 54.000 -0.313 0.000 1.086 195 D CB 1.049 41.488 40.800 -0.601 0.000 1.210 195 D HN 0.417 nan 8.370 nan 0.000 0.631 196 S N 0.083 115.654 115.700 -0.214 0.000 2.489 196 S HA 0.369 4.839 4.470 0.000 0.000 0.237 196 S C -0.086 174.613 174.600 0.166 0.000 1.220 196 S CA -0.621 57.593 58.200 0.023 0.000 1.231 196 S CB -0.937 62.366 63.200 0.171 0.000 0.900 196 S HN 0.471 nan 8.310 nan 0.000 0.492 197 F N -2.944 116.999 119.950 -0.012 0.000 3.412 197 F HA 0.368 4.895 4.527 0.000 0.000 0.333 197 F C 0.666 176.459 175.800 -0.012 0.000 1.225 197 F CA -0.732 57.288 58.000 0.032 0.000 0.714 197 F CB -0.931 38.032 39.000 -0.062 0.000 1.873 197 F HN 0.173 nan 8.300 nan 0.000 0.454 198 M N 0.990 120.345 119.600 -0.408 0.000 2.236 198 M HA 0.068 4.548 4.480 0.000 0.000 0.266 198 M C 0.858 176.747 176.300 -0.686 0.000 1.070 198 M CA 1.407 56.379 55.300 -0.547 0.000 1.137 198 M CB -0.455 31.848 32.600 -0.494 0.000 1.378 198 M HN 0.405 nan 8.290 nan 0.000 0.426 199 Y N -0.357 119.942 120.300 -0.003 0.000 3.344 199 Y HA -0.320 4.230 4.550 0.000 0.000 0.383 199 Y C -1.027 174.906 175.900 0.055 0.000 1.088 199 Y CA -0.324 57.805 58.100 0.048 0.000 1.269 199 Y CB -1.488 37.016 38.460 0.073 0.000 0.992 199 Y HN 0.257 nan 8.280 nan 0.000 0.533 200 D N -0.174 120.521 120.400 0.492 0.000 2.990 200 D HA 0.340 4.980 4.640 0.000 0.000 0.227 200 D C -0.728 175.777 176.300 0.342 0.000 1.249 200 D CA 0.019 54.222 54.000 0.339 0.000 0.891 200 D CB 1.828 42.786 40.800 0.263 0.000 1.647 200 D HN 0.856 nan 8.370 nan 0.000 0.530 201 T N -0.516 114.205 114.554 0.278 0.000 2.916 201 T HA 0.188 4.539 4.350 0.000 0.000 0.303 201 T C -1.733 173.007 174.700 0.067 0.000 1.025 201 T CA -1.018 61.176 62.100 0.157 0.000 1.142 201 T CB 1.349 70.297 68.868 0.133 0.000 0.947 201 T HN -0.027 nan 8.240 nan 0.000 0.544 202 P HA -0.206 nan 4.420 nan 0.000 0.216 202 P C 1.715 178.944 177.300 -0.118 0.000 1.154 202 P CA 1.265 64.318 63.100 -0.078 0.000 0.865 202 P CB 0.055 31.692 31.700 -0.105 0.000 0.789 203 Q N 0.042 119.797 119.800 -0.075 0.000 2.030 203 Q HA -0.239 4.102 4.340 0.000 0.000 0.204 203 Q C 2.097 178.073 176.000 -0.039 0.000 0.986 203 Q CA 1.750 57.509 55.803 -0.074 0.000 0.843 203 Q CB -0.424 28.295 28.738 -0.032 0.000 0.904 203 Q HN 0.257 nan 8.270 nan 0.000 0.420 204 E N -0.459 119.750 120.200 0.016 0.000 2.086 204 E HA -0.235 4.115 4.350 0.000 0.000 0.200 204 E C 2.085 178.726 176.600 0.069 0.000 1.012 204 E CA 1.800 58.236 56.400 0.061 0.000 0.812 204 E CB -0.096 29.664 29.700 0.099 0.000 0.743 204 E HN 0.237 nan 8.360 nan 0.000 0.453 205 V N 1.268 121.198 119.914 0.027 0.000 2.237 205 V HA -0.303 3.818 4.120 0.000 0.000 0.245 205 V C 2.354 178.330 176.094 -0.197 0.000 1.046 205 V CA 2.009 64.247 62.300 -0.104 0.000 1.007 205 V CB -0.861 30.887 31.823 -0.125 0.000 0.638 205 V HN 0.366 nan 8.190 nan 0.000 0.445 206 A N -0.486 122.201 122.820 -0.221 0.000 1.940 206 A HA -0.277 4.043 4.320 0.000 0.000 0.219 206 A C 2.157 179.752 177.584 0.018 0.000 1.176 206 A CA 2.188 54.094 52.037 -0.217 0.000 0.631 206 A CB -0.533 18.094 19.000 -0.623 0.000 0.814 206 A HN 0.579 nan 8.150 nan 0.000 0.446 207 E N -0.157 120.043 120.200 0.000 0.000 2.072 207 E HA -0.003 4.347 4.350 0.000 0.000 0.191 207 E C 2.009 178.664 176.600 0.092 0.000 0.985 207 E CA 1.459 57.889 56.400 0.050 0.000 0.801 207 E CB -0.329 29.393 29.700 0.037 0.000 0.750 207 E HN 0.503 nan 8.360 nan 0.000 0.452 208 A N -0.586 122.311 122.820 0.128 0.000 1.975 208 A HA -0.001 4.319 4.320 0.000 0.000 0.215 208 A C 2.013 179.740 177.584 0.238 0.000 1.170 208 A CA 0.705 52.860 52.037 0.196 0.000 0.656 208 A CB -0.667 18.520 19.000 0.312 0.000 0.821 208 A HN 0.421 nan 8.150 nan 0.000 0.449 209 F N 0.620 120.583 119.950 0.022 0.000 2.234 209 F HA -0.043 4.484 4.527 0.000 0.000 0.299 209 F C 1.659 177.460 175.800 0.002 0.000 1.087 209 F CA 1.463 59.455 58.000 -0.013 0.000 1.340 209 F CB -0.054 38.809 39.000 -0.228 0.000 1.031 209 F HN 0.121 nan 8.300 nan 0.000 0.500 210 L N -0.339 120.895 121.223 0.019 0.000 2.202 210 L HA -0.069 4.271 4.340 0.000 0.000 0.205 210 L C 2.574 179.408 176.870 -0.059 0.000 1.083 210 L CA 0.994 55.807 54.840 -0.045 0.000 0.790 210 L CB -0.848 41.316 42.059 0.174 0.000 0.942 210 L HN 0.224 nan 8.230 nan 0.000 0.452 211 S N -1.871 113.828 115.700 -0.001 0.000 2.507 211 S HA -0.138 4.332 4.470 0.000 0.000 0.235 211 S C 1.916 176.496 174.600 -0.032 0.000 0.988 211 S CA 1.217 59.413 58.200 -0.006 0.000 0.944 211 S CB -0.069 63.147 63.200 0.025 0.000 0.762 211 S HN 0.341 nan 8.310 nan 0.000 0.526 212 S N -0.307 115.357 115.700 -0.060 0.000 2.506 212 S HA 0.294 4.764 4.470 0.000 0.000 0.219 212 S C 1.329 175.886 174.600 -0.071 0.000 1.031 212 S CA -0.011 58.164 58.200 -0.041 0.000 0.911 212 S CB -0.186 63.014 63.200 0.000 0.000 0.812 212 S HN 0.404 nan 8.310 nan 0.000 0.497 213 L N 2.163 123.248 121.223 -0.232 0.000 2.145 213 L HA 0.160 4.500 4.340 0.000 0.000 0.201 213 L C 2.605 179.365 176.870 -0.183 0.000 1.075 213 L CA 2.490 57.168 54.840 -0.270 0.000 0.773 213 L CB -1.241 40.462 42.059 -0.593 0.000 0.936 213 L HN 0.499 nan 8.230 nan 0.000 0.451 214 T N -3.117 111.323 114.554 -0.191 0.000 2.699 214 T HA -0.246 4.104 4.350 0.000 0.000 0.268 214 T C 1.841 176.411 174.700 -0.217 0.000 1.036 214 T CA 1.419 63.361 62.100 -0.263 0.000 1.147 214 T CB -0.628 68.076 68.868 -0.272 0.000 0.862 214 T HN 0.393 nan 8.240 nan 0.000 0.446 215 E N 1.630 121.745 120.200 -0.141 0.000 2.058 215 E HA -0.121 4.229 4.350 0.000 0.000 0.194 215 E C 1.745 178.288 176.600 -0.095 0.000 0.997 215 E CA 1.615 57.952 56.400 -0.105 0.000 0.801 215 E CB -0.828 28.829 29.700 -0.071 0.000 0.746 215 E HN 0.582 nan 8.360 nan 0.000 0.450 216 T N 0.844 115.351 114.554 -0.079 0.000 3.496 216 T HA 0.127 4.477 4.350 0.000 0.000 0.253 216 T C 1.463 176.108 174.700 -0.091 0.000 1.134 216 T CA 0.213 62.272 62.100 -0.068 0.000 0.993 216 T CB -0.096 68.760 68.868 -0.019 0.000 1.018 216 T HN 0.186 nan 8.240 nan 0.000 0.571 217 I N -0.678 119.819 120.570 -0.122 0.000 4.398 217 I HA 0.121 4.291 4.170 0.000 0.000 0.310 217 I C 2.029 178.065 176.117 -0.136 0.000 1.232 217 I CA 0.069 61.287 61.300 -0.136 0.000 1.312 217 I CB 0.371 38.264 38.000 -0.178 0.000 1.347 217 I HN 0.122 nan 8.210 nan 0.000 0.454 218 E N 1.601 121.714 120.200 -0.146 0.000 2.171 218 E HA -0.181 4.169 4.350 0.000 0.000 0.197 218 E C 2.129 178.694 176.600 -0.058 0.000 0.997 218 E CA 1.477 57.813 56.400 -0.106 0.000 0.810 218 E CB -0.200 29.441 29.700 -0.098 0.000 0.738 218 E HN 0.580 nan 8.360 nan 0.000 0.467 219 G N 0.662 109.427 108.800 -0.057 0.000 2.430 219 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 219 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 219 G C 1.691 176.525 174.900 -0.111 0.000 1.146 219 G CA 0.150 45.231 45.100 -0.032 0.000 0.793 219 G HN 0.113 nan 8.290 nan 0.000 0.537 220 V N 1.347 121.187 119.914 -0.123 0.000 2.688 220 V HA -0.097 4.023 4.120 0.000 0.000 0.256 220 V C 0.811 176.807 176.094 -0.165 0.000 1.084 220 V CA 1.295 63.509 62.300 -0.143 0.000 1.103 220 V CB -0.383 31.372 31.823 -0.113 0.000 0.688 220 V HN 0.206 nan 8.190 nan 0.000 0.480 221 D N 1.103 121.419 120.400 -0.139 0.000 2.600 221 D HA 0.432 5.072 4.640 0.000 0.000 0.226 221 D C 0.481 176.642 176.300 -0.231 0.000 1.119 221 D CA 0.657 54.580 54.000 -0.129 0.000 1.051 221 D CB 0.241 41.007 40.800 -0.057 0.000 1.106 221 D HN 0.386 nan 8.370 nan 0.000 0.491 222 A N 2.166 124.742 122.820 -0.407 0.000 2.958 222 A HA 0.227 4.547 4.320 0.000 0.000 0.214 222 A C 0.303 177.542 177.584 -0.575 0.000 0.902 222 A CA -0.515 51.029 52.037 -0.822 0.000 1.136 222 A CB 0.465 18.322 19.000 -1.906 0.000 1.250 222 A HN 0.199 nan 8.150 nan 0.000 0.497 241 S N -0.589 115.118 115.700 0.011 0.000 2.611 241 S HA 0.775 5.245 4.470 0.000 0.000 0.268 241 S C -0.823 173.772 174.600 -0.009 0.000 1.156 241 S CA 0.217 58.417 58.200 0.001 0.000 0.817 241 S CB 1.601 64.799 63.200 -0.005 0.000 1.122 241 S HN 1.445 nan 8.310 nan 0.000 0.466 242 G N 1.148 109.933 108.800 -0.025 0.000 2.565 242 G HA2 -0.005 3.955 3.960 0.000 0.000 0.156 242 G HA3 -0.005 3.955 3.960 0.000 0.000 0.156 242 G C -0.125 174.745 174.900 -0.050 0.000 1.074 242 G CA 0.233 45.312 45.100 -0.034 0.000 0.804 242 G HN 1.246 nan 8.290 nan 0.000 0.496 243 S N -0.897 114.764 115.700 -0.065 0.000 2.855 243 S HA 0.653 5.123 4.470 0.000 0.000 0.249 243 S C 0.221 174.773 174.600 -0.081 0.000 1.033 243 S CA 0.033 58.194 58.200 -0.065 0.000 1.038 243 S CB 0.436 63.597 63.200 -0.065 0.000 0.960 243 S HN 0.992 nan 8.310 nan 0.000 0.548 244 M N 1.945 121.474 119.600 -0.118 0.000 2.378 244 M HA 0.559 5.039 4.480 0.000 0.000 0.289 244 M C -2.317 173.831 176.300 -0.254 0.000 1.136 244 M CA -0.344 54.865 55.300 -0.152 0.000 0.917 244 M CB 1.796 34.319 32.600 -0.129 0.000 1.669 244 M HN -0.010 nan 8.290 nan 0.000 0.461 245 N N 4.633 123.135 118.700 -0.330 0.000 2.399 245 N HA 0.632 5.373 4.740 0.000 0.000 0.295 245 N C -1.448 173.718 175.510 -0.573 0.000 1.048 245 N CA -0.212 52.519 53.050 -0.532 0.000 0.886 245 N CB 1.836 39.918 38.487 -0.676 0.000 1.185 245 N HN 0.622 nan 8.380 nan 0.000 0.487 246 I N 2.691 122.842 120.570 -0.699 0.000 2.448 246 I HA 0.238 4.408 4.170 0.000 0.000 0.281 246 I C -1.009 174.902 176.117 -0.343 0.000 1.027 246 I CA -0.729 60.303 61.300 -0.446 0.000 1.111 246 I CB 0.646 38.368 38.000 -0.464 0.000 1.236 246 I HN 0.366 nan 8.210 nan 0.000 0.452 247 Y N 6.343 126.704 120.300 0.102 0.000 2.425 247 Y HA 0.412 4.962 4.550 0.000 0.000 0.347 247 Y C 0.117 176.135 175.900 0.195 0.000 0.976 247 Y CA -0.684 57.505 58.100 0.148 0.000 1.190 247 Y CB 0.555 39.099 38.460 0.140 0.000 1.136 247 Y HN 0.357 nan 8.280 nan 0.000 0.517 248 L N 5.236 126.649 121.223 0.317 0.000 2.282 248 L HA 0.349 4.690 4.340 0.000 0.000 0.287 248 L C -0.606 176.429 176.870 0.275 0.000 1.075 248 L CA -0.716 54.290 54.840 0.275 0.000 0.839 248 L CB 0.390 42.580 42.059 0.218 0.000 1.219 248 L HN 0.390 nan 8.230 nan 0.000 0.434 249 V N 5.136 125.220 119.914 0.284 0.000 2.304 249 V HA 0.237 4.357 4.120 0.000 0.000 0.269 249 V C 0.047 176.349 176.094 0.346 0.000 1.036 249 V CA -0.419 62.061 62.300 0.300 0.000 0.840 249 V CB 1.583 33.541 31.823 0.225 0.000 1.036 249 V HN 0.410 nan 8.190 nan 0.000 0.466 250 L N 4.286 125.713 121.223 0.339 0.000 2.307 250 L HA 0.588 4.928 4.340 0.000 0.000 0.282 250 L C -0.096 176.962 176.870 0.314 0.000 1.051 250 L CA 0.089 55.092 54.840 0.272 0.000 0.804 250 L CB 1.506 43.632 42.059 0.112 0.000 1.197 250 L HN 0.574 nan 8.230 nan 0.000 0.431 251 D N 2.828 123.349 120.400 0.201 0.000 2.313 251 D HA 0.368 5.009 4.640 0.000 0.000 0.239 251 D C 0.629 176.965 176.300 0.061 0.000 1.142 251 D CA -0.019 53.835 54.000 -0.244 0.000 0.847 251 D CB 1.484 42.208 40.800 -0.126 0.000 1.082 251 D HN 0.690 nan 8.370 nan 0.000 0.480 252 G N 2.505 111.184 108.800 -0.202 0.000 3.707 252 G HA2 0.061 4.021 3.960 0.000 0.000 0.286 252 G HA3 0.061 4.021 3.960 0.000 0.000 0.286 252 G C 0.603 175.280 174.900 -0.373 0.000 1.112 252 G CA -0.302 44.652 45.100 -0.243 0.000 0.861 252 G HN 0.466 nan 8.290 nan 0.000 0.534 253 S N -0.617 114.929 115.700 -0.257 0.000 2.584 253 S HA 0.372 4.842 4.470 0.000 0.000 0.270 253 S C 1.860 176.428 174.600 -0.054 0.000 1.346 253 S CA 0.292 58.392 58.200 -0.167 0.000 1.018 253 S CB 1.049 64.185 63.200 -0.106 0.000 0.899 253 S HN 0.283 nan 8.310 nan 0.000 0.542 254 G N 1.103 109.879 108.800 -0.040 0.000 2.776 254 G HA2 -0.062 3.898 3.960 0.000 0.000 0.209 254 G HA3 -0.062 3.898 3.960 0.000 0.000 0.209 254 G C 1.145 176.129 174.900 0.139 0.000 1.145 254 G CA 0.564 45.706 45.100 0.070 0.000 0.791 254 G HN 0.878 nan 8.290 nan 0.000 0.530 255 S N -0.550 115.210 115.700 0.101 0.000 2.631 255 S HA 0.291 4.761 4.470 0.000 0.000 0.217 255 S C 1.641 176.310 174.600 0.115 0.000 0.958 255 S CA -0.206 58.050 58.200 0.094 0.000 0.920 255 S CB -0.026 63.215 63.200 0.067 0.000 0.776 255 S HN 0.337 nan 8.310 nan 0.000 0.517 256 I N 0.807 121.477 120.570 0.166 0.000 3.883 256 I HA 0.334 4.504 4.170 0.000 0.000 0.305 256 I C 1.246 177.395 176.117 0.052 0.000 1.247 256 I CA 0.469 61.860 61.300 0.151 0.000 1.350 256 I CB -0.097 38.047 38.000 0.239 0.000 1.194 256 I HN 0.514 nan 8.210 nan 0.000 0.441 257 G N 1.218 110.015 108.800 -0.005 0.000 2.722 257 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 257 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 257 G C 0.585 174.944 174.900 -0.903 0.000 1.282 257 G CA -0.268 44.637 45.100 -0.325 0.000 0.817 257 G HN 0.342 nan 8.290 nan 0.000 0.605 258 A N 0.990 123.132 122.820 -1.130 0.000 2.019 258 A HA 0.162 4.483 4.320 0.000 0.000 0.219 258 A C 2.763 180.173 177.584 -0.291 0.000 1.164 258 A CA 2.858 54.355 52.037 -0.899 0.000 0.644 258 A CB -0.508 18.245 19.000 -0.411 0.000 0.805 258 A HN 2.057 nan 8.150 nan 0.000 0.449 259 S N -0.068 115.509 115.700 -0.206 0.000 2.345 259 S HA -0.146 4.324 4.470 0.000 0.000 0.220 259 S C 1.308 175.879 174.600 -0.047 0.000 1.031 259 S CA 1.560 59.708 58.200 -0.088 0.000 0.996 259 S CB -0.389 62.773 63.200 -0.064 0.000 0.882 259 S HN 0.558 nan 8.310 nan 0.000 0.445 260 D N -0.174 120.204 120.400 -0.036 0.000 2.349 260 D HA 0.134 4.774 4.640 0.000 0.000 0.224 260 D C 0.957 177.290 176.300 0.055 0.000 1.029 260 D CA 0.156 54.162 54.000 0.009 0.000 0.879 260 D CB -0.053 40.766 40.800 0.032 0.000 0.906 260 D HN 0.476 nan 8.370 nan 0.000 0.528 261 F N 0.932 120.820 119.950 -0.104 0.000 2.315 261 F HA -0.080 4.447 4.527 0.000 0.000 0.284 261 F C 2.457 178.246 175.800 -0.018 0.000 1.049 261 F CA 1.327 59.310 58.000 -0.027 0.000 1.323 261 F CB -0.422 38.589 39.000 0.019 0.000 1.113 261 F HN -0.073 nan 8.300 nan 0.000 0.544 262 T N -1.931 112.683 114.554 0.100 0.000 2.833 262 T HA -0.072 4.279 4.350 0.000 0.000 0.269 262 T C 2.223 176.863 174.700 -0.100 0.000 1.054 262 T CA 1.190 63.288 62.100 -0.003 0.000 1.135 262 T CB -1.467 67.435 68.868 0.058 0.000 0.869 262 T HN 0.310 nan 8.240 nan 0.000 0.466 263 G N 0.816 109.567 108.800 -0.081 0.000 2.471 263 G HA2 0.168 4.129 3.960 0.000 0.000 0.219 263 G HA3 0.168 4.129 3.960 0.000 0.000 0.219 263 G C 1.775 176.596 174.900 -0.132 0.000 1.125 263 G CA 0.604 45.650 45.100 -0.090 0.000 0.775 263 G HN 0.749 nan 8.290 nan 0.000 0.548 264 A N 0.688 123.397 122.820 -0.186 0.000 1.970 264 A HA 0.159 4.479 4.320 0.000 0.000 0.216 264 A C 2.281 179.705 177.584 -0.265 0.000 1.170 264 A CA 1.480 53.380 52.037 -0.227 0.000 0.645 264 A CB -0.138 18.719 19.000 -0.238 0.000 0.816 264 A HN 0.357 nan 8.150 nan 0.000 0.447 265 K N 0.303 120.516 120.400 -0.311 0.000 2.001 265 K HA -0.088 4.232 4.320 0.000 0.000 0.208 265 K C 1.911 178.403 176.600 -0.180 0.000 1.048 265 K CA 1.473 57.602 56.287 -0.263 0.000 0.932 265 K CB -0.229 32.111 32.500 -0.267 0.000 0.715 265 K HN 0.352 nan 8.250 nan 0.000 0.437 266 K N 0.721 121.034 120.400 -0.145 0.000 2.113 266 K HA -0.194 4.126 4.320 0.000 0.000 0.208 266 K C 2.403 178.950 176.600 -0.089 0.000 1.047 266 K CA 1.420 57.645 56.287 -0.103 0.000 0.928 266 K CB -0.438 32.012 32.500 -0.083 0.000 0.716 266 K HN 0.239 nan 8.250 nan 0.000 0.446 267 C N 1.185 120.423 119.300 -0.103 0.000 2.446 267 C HA -0.041 4.419 4.460 0.000 0.000 0.277 267 C C 2.438 177.321 174.990 -0.179 0.000 1.275 267 C CA 0.483 59.460 59.018 -0.069 0.000 1.727 267 C CB -0.901 26.770 27.740 -0.114 0.000 2.010 267 C HN 0.401 nan 8.230 nan 0.000 0.486 268 L N 0.313 121.408 121.223 -0.213 0.000 2.056 268 L HA -0.096 4.244 4.340 0.000 0.000 0.207 268 L C 2.665 179.419 176.870 -0.194 0.000 1.078 268 L CA 1.233 55.940 54.840 -0.222 0.000 0.749 268 L CB -0.657 41.302 42.059 -0.166 0.000 0.901 268 L HN 0.236 nan 8.230 nan 0.000 0.433 269 V N 0.364 120.185 119.914 -0.154 0.000 2.255 269 V HA -0.319 3.801 4.120 0.000 0.000 0.247 269 V C 2.108 178.132 176.094 -0.116 0.000 1.051 269 V CA 2.233 64.456 62.300 -0.127 0.000 1.018 269 V CB -0.740 31.025 31.823 -0.098 0.000 0.641 269 V HN 0.507 nan 8.190 nan 0.000 0.445 270 N N -0.036 118.609 118.700 -0.091 0.000 2.289 270 N HA -0.116 4.624 4.740 0.000 0.000 0.184 270 N C 1.466 176.865 175.510 -0.184 0.000 1.016 270 N CA 0.894 53.917 53.050 -0.046 0.000 0.872 270 N CB -0.491 38.054 38.487 0.097 0.000 0.973 270 N HN 0.414 nan 8.380 nan 0.000 0.433 271 L N 0.806 121.798 121.223 -0.386 0.000 2.056 271 L HA 0.065 4.406 4.340 0.000 0.000 0.207 271 L C 1.720 178.471 176.870 -0.199 0.000 1.078 271 L CA 1.274 55.802 54.840 -0.520 0.000 0.749 271 L CB -0.386 41.302 42.059 -0.620 0.000 0.901 271 L HN 0.105 nan 8.230 nan 0.000 0.433 272 I N -0.528 119.957 120.570 -0.142 0.000 2.286 272 I HA -0.258 3.912 4.170 0.000 0.000 0.248 272 I C 2.443 178.523 176.117 -0.062 0.000 1.115 272 I CA 1.439 62.689 61.300 -0.084 0.000 1.392 272 I CB -0.312 37.554 38.000 -0.223 0.000 1.065 272 I HN 0.360 nan 8.210 nan 0.000 0.418 273 E N 1.598 121.748 120.200 -0.084 0.000 2.072 273 E HA -0.268 4.083 4.350 0.000 0.000 0.191 273 E C 2.045 178.589 176.600 -0.092 0.000 0.985 273 E CA 1.365 57.724 56.400 -0.068 0.000 0.801 273 E CB -0.011 29.662 29.700 -0.045 0.000 0.750 273 E HN 0.117 nan 8.360 nan 0.000 0.452 274 K N 0.055 120.390 120.400 -0.108 0.000 2.032 274 K HA -0.107 4.213 4.320 0.000 0.000 0.209 274 K C 1.910 178.401 176.600 -0.182 0.000 1.048 274 K CA 1.778 57.976 56.287 -0.148 0.000 0.927 274 K CB -0.740 31.707 32.500 -0.087 0.000 0.712 274 K HN 0.131 nan 8.250 nan 0.000 0.441 275 V N 0.990 120.893 119.914 -0.018 0.000 2.343 275 V HA -0.218 3.902 4.120 0.000 0.000 0.247 275 V C 2.397 178.550 176.094 0.098 0.000 1.051 275 V CA 1.982 64.367 62.300 0.142 0.000 1.036 275 V CB -1.028 30.902 31.823 0.178 0.000 0.654 275 V HN 0.503 nan 8.190 nan 0.000 0.451 276 A N 0.814 123.653 122.820 0.031 0.000 1.978 276 A HA -0.214 4.106 4.320 0.000 0.000 0.220 276 A C 2.492 180.059 177.584 -0.029 0.000 1.170 276 A CA 2.119 54.170 52.037 0.023 0.000 0.636 276 A CB -0.728 18.274 19.000 0.004 0.000 0.810 276 A HN 0.716 nan 8.150 nan 0.000 0.448 277 S N -1.590 114.024 115.700 -0.144 0.000 2.474 277 S HA -0.138 4.332 4.470 0.000 0.000 0.235 277 S C 1.481 175.967 174.600 -0.190 0.000 0.997 277 S CA 1.093 59.169 58.200 -0.206 0.000 0.949 277 S CB -0.722 62.290 63.200 -0.315 0.000 0.766 277 S HN 0.558 nan 8.310 nan 0.000 0.517 278 Y N 1.988 122.290 120.300 0.002 0.000 2.546 278 Y HA 0.357 4.907 4.550 0.000 0.000 0.287 278 Y C 1.985 177.888 175.900 0.006 0.000 1.158 278 Y CA -0.607 57.495 58.100 0.002 0.000 1.307 278 Y CB -0.736 37.723 38.460 -0.002 0.000 1.036 278 Y HN 0.420 nan 8.280 nan 0.000 0.532 279 G N 0.373 109.246 108.800 0.121 0.000 2.176 279 G HA2 -0.230 3.730 3.960 0.000 0.000 0.252 279 G HA3 -0.230 3.730 3.960 0.000 0.000 0.252 279 G C -0.403 174.547 174.900 0.084 0.000 1.024 279 G CA 0.264 45.414 45.100 0.082 0.000 0.755 279 G HN 0.150 nan 8.290 nan 0.000 0.507 280 V N -0.253 119.723 119.914 0.104 0.000 2.513 280 V HA 0.572 4.692 4.120 0.000 0.000 0.299 280 V C 0.287 176.427 176.094 0.078 0.000 1.035 280 V CA -0.775 61.571 62.300 0.076 0.000 0.889 280 V CB 1.936 33.801 31.823 0.069 0.000 0.988 280 V HN 0.275 nan 8.190 nan 0.000 0.440 281 K N 5.250 125.682 120.400 0.055 0.000 2.484 281 K HA 0.436 4.756 4.320 0.000 0.000 0.226 281 K C -2.762 173.858 176.600 0.033 0.000 1.031 281 K CA -1.463 54.868 56.287 0.073 0.000 1.026 281 K CB 1.440 33.979 32.500 0.065 0.000 1.412 281 K HN 0.424 nan 8.250 nan 0.000 0.492 282 P HA 0.231 nan 4.420 nan 0.000 0.278 282 P C -0.779 176.428 177.300 -0.156 0.000 1.266 282 P CA -0.750 62.260 63.100 -0.150 0.000 0.807 282 P CB 0.746 32.251 31.700 -0.325 0.000 1.094 283 R N 0.878 121.240 120.500 -0.231 0.000 2.254 283 R HA 0.396 4.737 4.340 0.000 0.000 0.318 283 R C -0.515 175.597 176.300 -0.313 0.000 1.031 283 R CA -0.216 55.783 56.100 -0.168 0.000 0.905 283 R CB 0.196 30.409 30.300 -0.145 0.000 1.050 283 R HN 0.496 nan 8.270 nan 0.000 0.456 284 Y N -0.126 120.109 120.300 -0.109 0.000 2.419 284 Y HA 0.527 5.077 4.550 0.000 0.000 0.328 284 Y C 0.984 176.837 175.900 -0.078 0.000 1.162 284 Y CA -0.517 57.523 58.100 -0.100 0.000 1.174 284 Y CB 2.268 40.709 38.460 -0.031 0.000 1.228 284 Y HN 0.672 nan 8.280 nan 0.000 0.473 285 G N 2.489 111.365 108.800 0.126 0.000 2.760 285 G HA2 0.480 4.440 3.960 0.000 0.000 0.285 285 G HA3 0.480 4.440 3.960 0.000 0.000 0.285 285 G C -2.318 172.735 174.900 0.255 0.000 1.496 285 G CA -0.450 44.758 45.100 0.181 0.000 1.026 285 G HN 0.422 nan 8.290 nan 0.000 0.536 286 L N 3.391 124.769 121.223 0.257 0.000 2.272 286 L HA 0.786 5.126 4.340 0.000 0.000 0.289 286 L C -0.741 176.365 176.870 0.393 0.000 1.032 286 L CA -0.726 54.285 54.840 0.284 0.000 0.810 286 L CB 1.673 43.873 42.059 0.234 0.000 1.205 286 L HN 0.252 nan 8.230 nan 0.000 0.422 287 V N 3.465 123.610 119.914 0.386 0.000 2.612 287 V HA 0.527 4.647 4.120 0.000 0.000 0.301 287 V C -0.230 176.145 176.094 0.467 0.000 1.059 287 V CA -0.493 62.077 62.300 0.450 0.000 0.886 287 V CB 2.214 34.232 31.823 0.326 0.000 1.007 287 V HN 0.835 nan 8.190 nan 0.000 0.426 288 T N 2.043 116.955 114.554 0.597 0.000 2.824 288 T HA 0.819 5.169 4.350 0.000 0.000 0.280 288 T C -0.862 174.069 174.700 0.385 0.000 0.995 288 T CA -0.574 61.833 62.100 0.511 0.000 1.009 288 T CB 1.558 70.802 68.868 0.627 0.000 0.955 288 T HN 0.836 nan 8.240 nan 0.000 0.452 289 Y N 0.801 121.108 120.300 0.012 0.000 2.512 289 Y HA 0.909 5.459 4.550 0.000 0.000 0.348 289 Y C -0.229 175.479 175.900 -0.320 0.000 0.990 289 Y CA -1.203 56.824 58.100 -0.121 0.000 1.033 289 Y CB 1.233 39.706 38.460 0.022 0.000 1.259 289 Y HN 0.956 nan 8.280 nan 0.000 0.461 290 A N 1.411 124.056 122.820 -0.292 0.000 2.770 290 A HA 0.340 4.661 4.320 0.000 0.000 0.183 290 A C 1.116 178.683 177.584 -0.028 0.000 1.077 290 A CA 0.277 52.166 52.037 -0.246 0.000 1.468 290 A CB -0.309 18.541 19.000 -0.250 0.000 2.037 290 A HN 0.730 nan 8.150 nan 0.000 0.730 291 T N -0.008 114.525 114.554 -0.035 0.000 2.833 291 T HA 0.083 4.433 4.350 0.000 0.000 0.269 291 T C -0.166 174.271 174.700 -0.438 0.000 1.054 291 T CA 1.727 63.695 62.100 -0.220 0.000 1.135 291 T CB -0.464 68.264 68.868 -0.233 0.000 0.869 291 T HN 0.376 nan 8.240 nan 0.000 0.466 292 Y N -0.337 120.033 120.300 0.117 0.000 2.576 292 Y HA 0.472 5.022 4.550 0.000 0.000 0.346 292 Y C -2.738 173.262 175.900 0.166 0.000 1.018 292 Y CA -3.202 54.972 58.100 0.122 0.000 1.050 292 Y CB 1.311 39.832 38.460 0.103 0.000 1.280 292 Y HN -0.203 nan 8.280 nan 0.000 0.474 293 P HA 0.250 nan 4.420 nan 0.000 0.279 293 P C -1.231 176.225 177.300 0.260 0.000 1.239 293 P CA -0.638 62.624 63.100 0.271 0.000 0.789 293 P CB 0.952 32.761 31.700 0.181 0.000 0.933 294 K N 3.318 123.894 120.400 0.292 0.000 2.502 294 K HA 0.439 4.759 4.320 0.000 0.000 0.254 294 K C -1.196 175.471 176.600 0.112 0.000 0.947 294 K CA -0.319 56.067 56.287 0.166 0.000 0.834 294 K CB 0.134 32.791 32.500 0.262 0.000 1.112 294 K HN 0.331 nan 8.250 nan 0.000 0.427 295 I N 5.612 126.172 120.570 -0.018 0.000 2.312 295 I HA 0.197 4.367 4.170 0.000 0.000 0.291 295 I C -0.020 176.055 176.117 -0.070 0.000 1.031 295 I CA -0.442 60.891 61.300 0.055 0.000 1.293 295 I CB 0.808 38.845 38.000 0.061 0.000 1.403 295 I HN 0.772 nan 8.210 nan 0.000 0.484 296 W N 4.852 126.222 121.300 0.117 0.000 2.699 296 W HA 0.235 4.896 4.660 0.000 0.000 0.265 296 W C 0.136 176.685 176.519 0.050 0.000 1.210 296 W CA 0.158 57.565 57.345 0.103 0.000 1.414 296 W CB 0.214 29.756 29.460 0.136 0.000 1.043 296 W HN 0.116 nan 8.180 nan 0.000 0.599 297 V N 1.109 121.183 119.914 0.268 0.000 2.733 297 V HA 0.318 4.439 4.120 0.000 0.000 0.306 297 V C -0.557 175.597 176.094 0.100 0.000 1.084 297 V CA -1.528 60.836 62.300 0.106 0.000 0.905 297 V CB 2.070 33.951 31.823 0.098 0.000 1.010 297 V HN -0.211 nan 8.190 nan 0.000 0.424 298 K N 2.287 122.706 120.400 0.032 0.000 2.221 298 K HA 0.512 4.832 4.320 0.000 0.000 0.258 298 K C 0.926 177.543 176.600 0.027 0.000 0.944 298 K CA -0.553 55.768 56.287 0.056 0.000 0.823 298 K CB 2.137 34.661 32.500 0.039 0.000 1.113 298 K HN 0.560 nan 8.250 nan 0.000 0.431 299 V N 0.345 120.292 119.914 0.054 0.000 2.720 299 V HA -0.195 3.925 4.120 0.000 0.000 0.256 299 V C 1.524 177.622 176.094 0.007 0.000 1.082 299 V CA 2.000 64.303 62.300 0.006 0.000 1.101 299 V CB -0.758 31.058 31.823 -0.012 0.000 0.693 299 V HN 0.757 nan 8.190 nan 0.000 0.479 300 S N -0.612 115.103 115.700 0.025 0.000 2.522 300 S HA 0.058 4.528 4.470 0.000 0.000 0.227 300 S C 0.741 175.337 174.600 -0.007 0.000 0.986 300 S CA -0.064 58.148 58.200 0.020 0.000 0.929 300 S CB -0.622 62.599 63.200 0.035 0.000 0.769 300 S HN 0.792 nan 8.310 nan 0.000 0.529 301 E N 0.908 121.088 120.200 -0.033 0.000 2.418 301 E HA 0.345 4.695 4.350 0.000 0.000 0.261 301 E C 0.822 177.379 176.600 -0.072 0.000 1.070 301 E CA 0.151 56.506 56.400 -0.075 0.000 0.931 301 E CB 0.457 30.067 29.700 -0.151 0.000 0.954 301 E HN 0.404 nan 8.360 nan 0.000 0.439 302 A N 2.737 125.516 122.820 -0.068 0.000 2.235 302 A HA -0.088 4.233 4.320 0.000 0.000 0.208 302 A C 0.598 178.153 177.584 -0.049 0.000 1.172 302 A CA 0.775 52.791 52.037 -0.036 0.000 0.786 302 A CB 0.111 19.107 19.000 -0.008 0.000 0.804 302 A HN 0.457 nan 8.150 nan 0.000 0.479 303 D N -1.195 119.118 120.400 -0.144 0.000 2.503 303 D HA 0.029 4.669 4.640 0.000 0.000 0.218 303 D C 1.822 178.021 176.300 -0.169 0.000 1.183 303 D CA 0.870 54.755 54.000 -0.192 0.000 0.827 303 D CB 0.236 40.685 40.800 -0.583 0.000 1.034 303 D HN 0.499 nan 8.370 nan 0.000 0.510 304 S N 0.404 116.041 115.700 -0.106 0.000 2.399 304 S HA -0.171 4.300 4.470 0.000 0.000 0.231 304 S C 1.963 176.622 174.600 0.097 0.000 1.022 304 S CA 1.424 59.613 58.200 -0.019 0.000 0.983 304 S CB -0.337 62.851 63.200 -0.019 0.000 0.803 304 S HN 0.158 nan 8.310 nan 0.000 0.480 305 S N 1.190 116.934 115.700 0.073 0.000 2.562 305 S HA 0.130 4.600 4.470 0.000 0.000 0.221 305 S C 0.671 175.358 174.600 0.144 0.000 0.975 305 S CA -0.146 58.123 58.200 0.116 0.000 0.918 305 S CB -0.688 62.547 63.200 0.059 0.000 0.772 305 S HN 0.496 nan 8.310 nan 0.000 0.531 306 N N 2.049 120.830 118.700 0.137 0.000 2.448 306 N HA 0.386 5.127 4.740 0.000 0.000 0.250 306 N C 1.065 176.662 175.510 0.145 0.000 1.136 306 N CA 0.407 53.556 53.050 0.165 0.000 0.953 306 N CB 0.965 39.608 38.487 0.259 0.000 1.251 306 N HN 0.271 nan 8.380 nan 0.000 0.502 307 A N 3.456 126.323 122.820 0.079 0.000 1.917 307 A HA -0.222 4.098 4.320 0.000 0.000 0.219 307 A C 1.809 179.375 177.584 -0.030 0.000 1.182 307 A CA 1.846 53.860 52.037 -0.039 0.000 0.633 307 A CB -0.542 18.445 19.000 -0.022 0.000 0.819 307 A HN 0.699 nan 8.150 nan 0.000 0.448 308 D N -1.920 118.495 120.400 0.025 0.000 2.117 308 D HA -0.183 4.457 4.640 0.000 0.000 0.197 308 D C 1.662 177.989 176.300 0.046 0.000 0.987 308 D CA 1.245 55.248 54.000 0.005 0.000 0.829 308 D CB -0.314 40.480 40.800 -0.011 0.000 0.961 308 D HN 0.655 nan 8.370 nan 0.000 0.460 309 W N 0.195 121.472 121.300 -0.040 0.000 2.332 309 W HA -0.252 4.408 4.660 0.000 0.000 0.321 309 W C 2.463 178.960 176.519 -0.037 0.000 1.219 309 W CA 1.467 58.801 57.345 -0.019 0.000 1.277 309 W CB -0.334 29.131 29.460 0.007 0.000 1.161 309 W HN -0.175 nan 8.180 nan 0.000 0.476 310 V N -0.053 120.056 119.914 0.325 0.000 2.392 310 V HA -0.364 3.756 4.120 0.000 0.000 0.249 310 V C 1.985 178.100 176.094 0.034 0.000 1.059 310 V CA 2.337 64.710 62.300 0.122 0.000 1.051 310 V CB -1.484 30.241 31.823 -0.163 0.000 0.658 310 V HN 0.257 nan 8.190 nan 0.000 0.455 311 T N -0.608 113.932 114.554 -0.024 0.000 2.821 311 T HA -0.155 4.195 4.350 0.000 0.000 0.267 311 T C 1.929 176.604 174.700 -0.042 0.000 1.046 311 T CA 1.248 63.309 62.100 -0.066 0.000 1.139 311 T CB -0.182 68.637 68.868 -0.083 0.000 0.871 311 T HN 0.494 nan 8.240 nan 0.000 0.454 312 K N 0.729 121.116 120.400 -0.023 0.000 2.097 312 K HA -0.085 4.235 4.320 0.000 0.000 0.206 312 K C 2.631 179.228 176.600 -0.004 0.000 1.049 312 K CA 0.912 57.164 56.287 -0.058 0.000 0.933 312 K CB -0.043 32.352 32.500 -0.175 0.000 0.717 312 K HN 0.238 nan 8.250 nan 0.000 0.442 313 Q N 0.669 120.532 119.800 0.105 0.000 2.046 313 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 313 Q C 2.151 178.080 176.000 -0.118 0.000 0.975 313 Q CA 0.974 56.842 55.803 0.108 0.000 0.836 313 Q CB -0.444 28.462 28.738 0.279 0.000 0.896 313 Q HN 0.190 nan 8.270 nan 0.000 0.428 314 L N 1.730 122.889 121.223 -0.107 0.000 2.349 314 L HA -0.161 4.179 4.340 0.000 0.000 0.220 314 L C 1.348 178.119 176.870 -0.166 0.000 1.130 314 L CA 1.410 56.147 54.840 -0.172 0.000 0.791 314 L CB -0.375 41.604 42.059 -0.133 0.000 0.918 314 L HN 0.161 nan 8.230 nan 0.000 0.444 315 N N -1.008 117.620 118.700 -0.121 0.000 2.402 315 N HA -0.045 4.695 4.740 0.000 0.000 0.174 315 N C 1.589 177.049 175.510 -0.084 0.000 1.027 315 N CA 0.754 53.750 53.050 -0.091 0.000 0.891 315 N CB 0.028 38.474 38.487 -0.067 0.000 1.016 315 N HN 0.443 nan 8.380 nan 0.000 0.439 316 E N 1.010 121.152 120.200 -0.096 0.000 2.152 316 E HA -0.028 4.322 4.350 0.000 0.000 0.192 316 E C 0.853 177.380 176.600 -0.120 0.000 0.983 316 E CA 0.118 56.486 56.400 -0.053 0.000 0.818 316 E CB 0.022 29.747 29.700 0.042 0.000 0.758 316 E HN 0.472 nan 8.360 nan 0.000 0.467 317 I N 0.062 120.408 120.570 -0.373 0.000 2.754 317 I HA 0.167 4.338 4.170 0.000 0.000 0.285 317 I C -0.069 176.039 176.117 -0.015 0.000 1.166 317 I CA -0.327 60.717 61.300 -0.427 0.000 1.417 317 I CB 0.525 38.081 38.000 -0.741 0.000 1.382 317 I HN -0.179 nan 8.210 nan 0.000 0.588 318 N N 2.681 121.459 118.700 0.129 0.000 2.525 318 N HA 0.229 4.969 4.740 0.000 0.000 0.270 318 N C -0.219 175.380 175.510 0.149 0.000 1.321 318 N CA -0.744 52.425 53.050 0.198 0.000 0.797 318 N CB 1.151 39.712 38.487 0.122 0.000 1.529 318 N HN 0.666 nan 8.380 nan 0.000 0.491 319 Y N 0.701 120.955 120.300 -0.076 0.000 2.509 319 Y HA 0.133 4.683 4.550 0.000 0.000 0.293 319 Y C 1.002 176.765 175.900 -0.228 0.000 1.133 319 Y CA 1.401 59.215 58.100 -0.476 0.000 1.283 319 Y CB 0.425 38.648 38.460 -0.396 0.000 1.001 319 Y HN 0.565 nan 8.280 nan 0.000 0.555 320 E N -0.243 119.913 120.200 -0.072 0.000 2.481 320 E HA -0.090 4.260 4.350 0.000 0.000 0.195 320 E C 1.050 177.578 176.600 -0.121 0.000 1.047 320 E CA 0.578 56.924 56.400 -0.089 0.000 0.867 320 E CB -0.067 29.634 29.700 0.002 0.000 0.858 320 E HN 0.601 nan 8.360 nan 0.000 0.513 321 D N 0.299 120.627 120.400 -0.121 0.000 2.219 321 D HA -0.108 4.533 4.640 0.000 0.000 0.205 321 D C 0.608 176.666 176.300 -0.404 0.000 0.970 321 D CA 1.057 54.952 54.000 -0.175 0.000 0.851 321 D CB -0.007 40.769 40.800 -0.040 0.000 0.943 321 D HN 0.329 nan 8.370 nan 0.000 0.488 322 H N -0.487 118.480 119.070 -0.171 0.000 2.500 322 H HA 0.232 4.788 4.556 0.000 0.000 0.243 322 H C 1.019 176.207 175.328 -0.233 0.000 1.318 322 H CA -0.093 55.856 56.048 -0.165 0.000 1.077 322 H CB 0.814 30.469 29.762 -0.178 0.000 1.748 322 H HN 0.079 nan 8.280 nan 0.000 0.556 323 K N 0.539 120.867 120.400 -0.120 0.000 2.276 323 K HA -0.007 4.313 4.320 0.000 0.000 0.198 323 K C 1.716 178.288 176.600 -0.046 0.000 1.052 323 K CA 0.094 56.314 56.287 -0.112 0.000 0.984 323 K CB 0.485 32.925 32.500 -0.100 0.000 0.836 323 K HN 0.099 nan 8.250 nan 0.000 0.490 324 L N 1.557 122.764 121.223 -0.027 0.000 2.093 324 L HA -0.022 4.318 4.340 0.000 0.000 0.208 324 L C -0.131 176.754 176.870 0.026 0.000 1.085 324 L CA 1.774 56.613 54.840 -0.001 0.000 0.755 324 L CB 0.096 42.154 42.059 -0.001 0.000 0.904 324 L HN -0.048 nan 8.230 nan 0.000 0.435 325 K N -0.635 119.795 120.400 0.051 0.000 2.753 325 K HA 0.240 4.561 4.320 0.000 0.000 0.185 325 K C 0.281 176.914 176.600 0.056 0.000 1.071 325 K CA 0.333 56.669 56.287 0.081 0.000 0.999 325 K CB 0.694 33.304 32.500 0.183 0.000 1.244 325 K HN 0.123 nan 8.250 nan 0.000 0.594 326 S N -0.293 115.409 115.700 0.004 0.000 2.994 326 S HA 0.137 4.607 4.470 0.000 0.000 0.247 326 S C 0.768 175.346 174.600 -0.036 0.000 1.323 326 S CA -0.702 57.477 58.200 -0.036 0.000 1.246 326 S CB 0.047 63.214 63.200 -0.055 0.000 0.994 326 S HN 0.483 nan 8.310 nan 0.000 0.484 327 G N 0.586 109.366 108.800 -0.034 0.000 2.621 327 G HA2 0.455 4.415 3.960 0.000 0.000 0.271 327 G HA3 0.455 4.415 3.960 0.000 0.000 0.271 327 G C -0.229 174.653 174.900 -0.030 0.000 1.236 327 G CA -0.618 44.460 45.100 -0.037 0.000 0.958 327 G HN 0.411 nan 8.290 nan 0.000 0.512 328 T N 0.473 115.038 114.554 0.018 0.000 3.630 328 T HA 0.135 4.485 4.350 0.000 0.000 0.238 328 T C 0.160 174.971 174.700 0.185 0.000 1.195 328 T CA -0.565 61.590 62.100 0.091 0.000 1.433 328 T CB -0.067 68.861 68.868 0.099 0.000 0.940 328 T HN 0.433 nan 8.240 nan 0.000 0.641 329 N N 1.611 120.408 118.700 0.161 0.000 2.807 329 N HA 0.111 4.851 4.740 0.000 0.000 0.259 329 N C 1.130 176.714 175.510 0.124 0.000 1.149 329 N CA -0.082 53.032 53.050 0.107 0.000 1.042 329 N CB 0.498 38.980 38.487 -0.007 0.000 1.367 329 N HN 0.154 nan 8.380 nan 0.000 0.516 330 T N 1.412 116.023 114.554 0.095 0.000 2.867 330 T HA -0.131 4.220 4.350 0.000 0.000 0.268 330 T C 1.684 176.223 174.700 -0.269 0.000 1.057 330 T CA 0.961 62.932 62.100 -0.216 0.000 1.136 330 T CB 0.149 68.967 68.868 -0.084 0.000 0.874 330 T HN 0.516 nan 8.240 nan 0.000 0.466 331 K N 1.321 121.618 120.400 -0.172 0.000 2.020 331 K HA -0.175 4.145 4.320 0.000 0.000 0.212 331 K C 2.168 178.685 176.600 -0.139 0.000 1.050 331 K CA 1.517 57.706 56.287 -0.162 0.000 0.929 331 K CB -0.072 32.349 32.500 -0.133 0.000 0.714 331 K HN 0.210 nan 8.250 nan 0.000 0.443 332 K N -0.168 120.173 120.400 -0.098 0.000 2.209 332 K HA -0.109 4.212 4.320 0.000 0.000 0.204 332 K C 2.096 178.657 176.600 -0.064 0.000 1.048 332 K CA 0.998 57.253 56.287 -0.054 0.000 0.940 332 K CB -0.086 32.415 32.500 0.001 0.000 0.729 332 K HN 0.253 nan 8.250 nan 0.000 0.451 333 A N 1.395 124.118 122.820 -0.162 0.000 1.902 333 A HA -0.120 4.200 4.320 0.000 0.000 0.217 333 A C 2.042 179.534 177.584 -0.152 0.000 1.181 333 A CA 1.196 53.099 52.037 -0.223 0.000 0.623 333 A CB -0.522 18.009 19.000 -0.781 0.000 0.818 333 A HN 0.164 nan 8.150 nan 0.000 0.443 334 L N -0.896 120.221 121.223 -0.177 0.000 2.291 334 L HA -0.168 4.173 4.340 0.000 0.000 0.214 334 L C 2.684 179.520 176.870 -0.057 0.000 1.120 334 L CA 0.920 55.694 54.840 -0.110 0.000 0.799 334 L CB -0.464 41.522 42.059 -0.121 0.000 0.925 334 L HN 0.503 nan 8.230 nan 0.000 0.446 335 Q N -0.212 119.550 119.800 -0.063 0.000 2.230 335 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 335 Q C 2.450 178.474 176.000 0.040 0.000 0.963 335 Q CA 1.235 57.020 55.803 -0.031 0.000 0.866 335 Q CB -0.106 28.590 28.738 -0.069 0.000 0.931 335 Q HN 0.543 nan 8.270 nan 0.000 0.452 336 A N 0.377 123.214 122.820 0.028 0.000 1.898 336 A HA -0.129 4.191 4.320 0.000 0.000 0.216 336 A C 2.285 179.902 177.584 0.056 0.000 1.181 336 A CA 1.235 53.307 52.037 0.059 0.000 0.620 336 A CB -0.602 18.445 19.000 0.079 0.000 0.819 336 A HN 0.206 nan 8.150 nan 0.000 0.442 337 V N -1.397 118.525 119.914 0.014 0.000 2.407 337 V HA -0.271 3.850 4.120 0.000 0.000 0.248 337 V C 2.314 178.329 176.094 -0.132 0.000 1.055 337 V CA 1.982 64.224 62.300 -0.095 0.000 1.049 337 V CB -1.083 30.613 31.823 -0.213 0.000 0.662 337 V HN 0.703 nan 8.190 nan 0.000 0.455 338 Y N 2.262 122.464 120.300 -0.163 0.000 2.128 338 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 338 Y C 2.827 178.652 175.900 -0.125 0.000 1.154 338 Y CA 2.024 60.029 58.100 -0.160 0.000 1.149 338 Y CB -0.295 38.079 38.460 -0.144 0.000 0.976 338 Y HN 0.385 nan 8.280 nan 0.000 0.505 339 S N -0.504 115.234 115.700 0.062 0.000 2.474 339 S HA -0.197 4.273 4.470 0.000 0.000 0.235 339 S C 1.818 176.397 174.600 -0.036 0.000 0.997 339 S CA 1.353 59.555 58.200 0.003 0.000 0.949 339 S CB -0.589 62.652 63.200 0.067 0.000 0.766 339 S HN 0.580 nan 8.310 nan 0.000 0.517 340 M N 1.141 120.736 119.600 -0.008 0.000 2.288 340 M HA 0.176 4.656 4.480 0.000 0.000 0.266 340 M C 2.272 178.626 176.300 0.090 0.000 1.072 340 M CA 1.216 56.561 55.300 0.076 0.000 1.132 340 M CB -0.405 32.310 32.600 0.191 0.000 1.386 340 M HN 0.532 nan 8.290 nan 0.000 0.432 341 M N -1.109 118.486 119.600 -0.007 0.000 2.428 341 M HA 0.248 4.728 4.480 0.000 0.000 0.239 341 M C 0.794 177.027 176.300 -0.111 0.000 1.121 341 M CA -0.222 55.124 55.300 0.077 0.000 1.019 341 M CB -0.170 32.510 32.600 0.133 0.000 1.485 341 M HN -0.008 nan 8.290 nan 0.000 0.484 342 S N 0.508 116.014 115.700 -0.325 0.000 2.661 342 S HA 0.607 5.077 4.470 0.000 0.000 0.265 342 S C -0.735 173.745 174.600 -0.201 0.000 1.225 342 S CA -0.801 57.056 58.200 -0.571 0.000 0.986 342 S CB 0.270 63.067 63.200 -0.672 0.000 1.008 342 S HN 0.605 nan 8.310 nan 0.000 0.565 343 W N -1.537 119.698 121.300 -0.108 0.000 3.033 343 W HA 0.636 5.296 4.660 0.000 0.000 0.336 343 W C -2.693 173.792 176.519 -0.056 0.000 1.173 343 W CA -2.280 55.023 57.345 -0.070 0.000 1.185 343 W CB -0.209 29.198 29.460 -0.088 0.000 1.425 343 W HN 0.445 nan 8.180 nan 0.000 0.536 344 P HA 0.007 nan 4.420 nan 0.000 0.247 344 P C -0.583 176.825 177.300 0.180 0.000 1.225 344 P CA 0.631 63.818 63.100 0.145 0.000 0.768 344 P CB 0.032 31.790 31.700 0.096 0.000 1.020 349 P HA 0.140 nan 4.420 nan 0.000 0.271 349 P C 1.260 178.582 177.300 0.037 0.000 1.218 349 P CA -0.356 62.669 63.100 -0.125 0.000 0.780 349 P CB 1.089 32.774 31.700 -0.024 0.000 0.901 350 E N 1.187 121.404 120.200 0.028 0.000 2.085 350 E HA -0.133 4.217 4.350 0.000 0.000 0.194 350 E C 0.838 177.465 176.600 0.045 0.000 0.994 350 E CA 1.224 57.646 56.400 0.037 0.000 0.801 350 E CB -0.587 29.113 29.700 0.001 0.000 0.743 350 E HN 0.490 nan 8.360 nan 0.000 0.453 351 G N 1.089 109.922 108.800 0.056 0.000 3.963 351 G HA2 0.204 4.164 3.960 0.000 0.000 0.315 351 G HA3 0.204 4.164 3.960 0.000 0.000 0.315 351 G C 0.148 175.119 174.900 0.118 0.000 1.254 351 G CA -0.392 44.723 45.100 0.026 0.000 1.395 351 G HN 0.493 nan 8.290 nan 0.000 0.538 352 W N 1.833 123.109 121.300 -0.040 0.000 3.178 352 W HA 0.052 4.712 4.660 0.000 0.000 0.241 352 W C 0.545 177.072 176.519 0.013 0.000 1.122 352 W CA 0.416 57.774 57.345 0.023 0.000 1.595 352 W CB -0.187 29.230 29.460 -0.071 0.000 0.918 352 W HN 0.419 nan 8.180 nan 0.000 0.700 353 N N 1.659 119.538 118.700 -1.369 0.000 2.413 353 N HA 0.013 4.754 4.740 0.000 0.000 0.207 353 N C 0.739 175.843 175.510 -0.675 0.000 1.206 353 N CA 0.079 52.304 53.050 -1.376 0.000 0.832 353 N CB -0.506 36.898 38.487 -1.805 0.000 1.037 353 N HN 0.331 nan 8.380 nan 0.000 0.467 354 R N -1.632 118.702 120.500 -0.277 0.000 2.538 354 R HA 0.183 4.523 4.340 0.000 0.000 0.372 354 R C -0.580 175.831 176.300 0.185 0.000 0.950 354 R CA -0.168 55.943 56.100 0.019 0.000 1.168 354 R CB 0.712 30.966 30.300 -0.077 0.000 1.542 354 R HN 0.055 nan 8.270 nan 0.000 0.536 355 T N 1.515 116.212 114.554 0.239 0.000 2.771 355 T HA 0.387 4.737 4.350 0.000 0.000 0.281 355 T C -0.274 174.696 174.700 0.449 0.000 0.982 355 T CA -0.644 61.612 62.100 0.261 0.000 0.978 355 T CB 1.632 70.639 68.868 0.233 0.000 0.930 355 T HN -0.136 nan 8.240 nan 0.000 0.447 356 R N 2.447 123.091 120.500 0.241 0.000 2.265 356 R HA 0.451 4.792 4.340 0.000 0.000 0.314 356 R C -0.618 175.819 176.300 0.228 0.000 1.053 356 R CA -0.441 55.805 56.100 0.243 0.000 0.931 356 R CB 0.033 30.348 30.300 0.026 0.000 1.024 356 R HN 0.584 nan 8.270 nan 0.000 0.457 357 H N 0.571 119.759 119.070 0.196 0.000 2.459 357 H HA 0.448 5.004 4.556 0.000 0.000 0.332 357 H C -0.684 174.797 175.328 0.255 0.000 1.094 357 H CA -0.645 55.567 56.048 0.274 0.000 1.224 357 H CB 1.321 31.292 29.762 0.349 0.000 1.449 357 H HN 0.164 nan 8.280 nan 0.000 0.484 358 V N 5.519 125.643 119.914 0.350 0.000 2.409 358 V HA 0.276 4.396 4.120 0.000 0.000 0.290 358 V C -0.053 176.312 176.094 0.452 0.000 1.017 358 V CA -0.564 61.945 62.300 0.347 0.000 0.841 358 V CB 1.110 33.087 31.823 0.257 0.000 1.003 358 V HN 0.664 nan 8.190 nan 0.000 0.426 359 I N 6.069 126.908 120.570 0.448 0.000 2.321 359 I HA 0.501 4.672 4.170 0.000 0.000 0.291 359 I C -0.547 175.840 176.117 0.449 0.000 0.998 359 I CA -0.292 61.266 61.300 0.430 0.000 1.227 359 I CB 1.426 39.586 38.000 0.267 0.000 1.368 359 I HN 0.439 nan 8.210 nan 0.000 0.466 360 I N 7.953 128.790 120.570 0.445 0.000 2.410 360 I HA 0.398 4.568 4.170 0.000 0.000 0.286 360 I C -0.623 175.732 176.117 0.397 0.000 1.009 360 I CA -0.663 60.931 61.300 0.491 0.000 1.111 360 I CB 1.600 39.902 38.000 0.504 0.000 1.262 360 I HN 0.420 nan 8.210 nan 0.000 0.443 361 L N 3.584 125.043 121.223 0.393 0.000 2.410 361 L HA 0.758 5.098 4.340 0.000 0.000 0.270 361 L C -1.208 175.893 176.870 0.385 0.000 0.983 361 L CA -0.883 54.163 54.840 0.343 0.000 0.822 361 L CB 2.001 44.222 42.059 0.269 0.000 1.285 361 L HN 0.422 nan 8.230 nan 0.000 0.409 362 M N 3.494 123.296 119.600 0.337 0.000 2.144 362 M HA 0.664 5.144 4.480 0.000 0.000 0.356 362 M C 0.057 176.535 176.300 0.295 0.000 1.217 362 M CA 0.431 55.914 55.300 0.305 0.000 1.087 362 M CB 1.591 34.293 32.600 0.169 0.000 1.609 362 M HN 0.864 nan 8.290 nan 0.000 0.467 363 T N -0.089 114.633 114.554 0.280 0.000 2.718 363 T HA 0.355 4.705 4.350 0.000 0.000 0.306 363 T C -0.673 174.154 174.700 0.212 0.000 1.485 363 T CA -0.647 61.609 62.100 0.261 0.000 0.997 363 T CB 0.930 69.995 68.868 0.328 0.000 1.504 363 T HN 0.762 nan 8.240 nan 0.000 0.497 364 D N -0.218 120.292 120.400 0.183 0.000 2.349 364 D HA 0.261 4.901 4.640 0.000 0.000 0.214 364 D C 1.503 177.881 176.300 0.131 0.000 1.063 364 D CA 0.952 55.039 54.000 0.146 0.000 0.847 364 D CB -0.314 40.558 40.800 0.120 0.000 0.933 364 D HN 1.216 nan 8.370 nan 0.000 0.513 365 G N 0.613 109.511 108.800 0.164 0.000 2.184 365 G HA2 -0.278 3.682 3.960 0.000 0.000 0.264 365 G HA3 -0.278 3.682 3.960 0.000 0.000 0.264 365 G C 0.145 175.081 174.900 0.060 0.000 0.975 365 G CA 0.356 45.550 45.100 0.155 0.000 0.642 365 G HN 0.427 nan 8.290 nan 0.000 0.536 366 L N 2.400 123.652 121.223 0.048 0.000 2.397 366 L HA 0.408 4.748 4.340 0.000 0.000 0.263 366 L C 0.716 177.581 176.870 -0.009 0.000 1.136 366 L CA -0.973 53.838 54.840 -0.048 0.000 1.019 366 L CB -0.302 41.759 42.059 0.003 0.000 1.352 366 L HN 0.458 nan 8.230 nan 0.000 0.420 367 H N -0.112 119.003 119.070 0.076 0.000 2.502 367 H HA 0.390 4.946 4.556 0.000 0.000 0.327 367 H C 0.299 175.653 175.328 0.045 0.000 1.099 367 H CA -1.056 55.036 56.048 0.073 0.000 1.323 367 H CB 0.718 30.524 29.762 0.073 0.000 1.450 367 H HN 0.404 nan 8.280 nan 0.000 0.502 368 N N 2.554 121.344 118.700 0.148 0.000 2.143 368 N HA 0.138 4.878 4.740 0.000 0.000 0.229 368 N C -0.799 174.754 175.510 0.072 0.000 1.294 368 N CA -0.287 52.813 53.050 0.083 0.000 0.883 368 N CB 0.567 39.076 38.487 0.036 0.000 1.148 368 N HN 0.593 nan 8.380 nan 0.000 0.511 369 M N -0.542 119.109 119.600 0.084 0.000 2.324 369 M HA 0.541 5.021 4.480 0.000 0.000 0.288 369 M C 0.185 176.494 176.300 0.015 0.000 1.097 369 M CA -0.343 54.974 55.300 0.029 0.000 0.928 369 M CB 2.713 35.306 32.600 -0.012 0.000 1.648 369 M HN 0.170 nan 8.290 nan 0.000 0.460 370 G N 1.257 110.052 108.800 -0.007 0.000 2.254 370 G HA2 0.036 3.996 3.960 0.000 0.000 0.225 370 G HA3 0.036 3.996 3.960 0.000 0.000 0.225 370 G C 0.467 175.344 174.900 -0.038 0.000 1.003 370 G CA -0.073 45.007 45.100 -0.034 0.000 0.622 370 G HN 1.643 nan 8.290 nan 0.000 0.507 371 G N 0.100 108.895 108.800 -0.007 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 -0.499 174.352 174.900 -0.083 0.000 1.250 371 G CA 0.825 45.923 45.100 -0.003 0.000 0.926 371 G HN 1.454 nan 8.290 nan 0.000 0.581 372 D N 1.812 122.164 120.400 -0.080 0.000 2.338 372 D HA 0.513 5.153 4.640 0.000 0.000 0.255 372 D C -0.718 175.463 176.300 -0.198 0.000 1.237 372 D CA -1.670 52.248 54.000 -0.136 0.000 0.883 372 D CB 1.274 42.043 40.800 -0.051 0.000 1.087 372 D HN 0.044 nan 8.370 nan 0.000 0.485 373 P HA 0.002 nan 4.420 nan 0.000 0.223 373 P C 1.517 178.723 177.300 -0.156 0.000 1.151 373 P CA 0.534 63.488 63.100 -0.243 0.000 0.787 373 P CB 0.227 31.749 31.700 -0.296 0.000 0.788 374 I N -0.132 120.362 120.570 -0.126 0.000 2.264 374 I HA -0.266 3.904 4.170 0.000 0.000 0.248 374 I C 2.304 178.370 176.117 -0.085 0.000 1.111 374 I CA 2.067 63.316 61.300 -0.084 0.000 1.382 374 I CB -1.465 36.501 38.000 -0.056 0.000 1.060 374 I HN 0.125 nan 8.210 nan 0.000 0.418 375 T N -0.996 113.501 114.554 -0.094 0.000 2.737 375 T HA -0.148 4.202 4.350 0.000 0.000 0.269 375 T C 1.791 176.421 174.700 -0.117 0.000 1.040 375 T CA 1.505 63.548 62.100 -0.096 0.000 1.142 375 T CB -0.979 67.830 68.868 -0.099 0.000 0.861 375 T HN 0.191 nan 8.240 nan 0.000 0.456 376 V N 1.759 121.594 119.914 -0.130 0.000 2.307 376 V HA -0.085 4.035 4.120 0.000 0.000 0.245 376 V C 2.794 178.830 176.094 -0.097 0.000 1.045 376 V CA 1.169 63.381 62.300 -0.147 0.000 1.024 376 V CB -0.692 31.043 31.823 -0.146 0.000 0.651 376 V HN 0.409 nan 8.190 nan 0.000 0.449 377 I N 0.719 121.242 120.570 -0.078 0.000 2.194 377 I HA -0.260 3.910 4.170 0.000 0.000 0.246 377 I C 2.292 178.382 176.117 -0.045 0.000 1.093 377 I CA 1.876 63.144 61.300 -0.053 0.000 1.355 377 I CB -1.335 36.632 38.000 -0.055 0.000 1.046 377 I HN 0.368 nan 8.210 nan 0.000 0.413 378 D N 0.687 121.053 120.400 -0.057 0.000 2.097 378 D HA -0.166 4.474 4.640 0.000 0.000 0.195 378 D C 2.140 178.412 176.300 -0.047 0.000 0.989 378 D CA 1.077 55.045 54.000 -0.052 0.000 0.827 378 D CB -0.242 40.523 40.800 -0.059 0.000 0.966 378 D HN 0.459 nan 8.370 nan 0.000 0.456 379 E N 0.321 120.480 120.200 -0.068 0.000 2.085 379 E HA -0.138 4.212 4.350 0.000 0.000 0.194 379 E C 2.353 179.003 176.600 0.083 0.000 0.994 379 E CA 0.521 56.885 56.400 -0.061 0.000 0.801 379 E CB -0.090 29.471 29.700 -0.232 0.000 0.743 379 E HN 0.327 nan 8.360 nan 0.000 0.453 380 I N 0.814 121.443 120.570 0.098 0.000 2.226 380 I HA -0.289 3.881 4.170 0.000 0.000 0.245 380 I C 2.483 178.606 176.117 0.010 0.000 1.100 380 I CA 1.230 62.595 61.300 0.109 0.000 1.374 380 I CB -0.255 37.772 38.000 0.044 0.000 1.057 380 I HN 0.039 nan 8.210 nan 0.000 0.413 381 R N 0.545 121.043 120.500 -0.003 0.000 2.120 381 R HA -0.162 4.178 4.340 0.000 0.000 0.234 381 R C 1.792 178.087 176.300 -0.008 0.000 1.123 381 R CA 1.459 57.553 56.100 -0.009 0.000 0.975 381 R CB -0.308 29.981 30.300 -0.019 0.000 0.866 381 R HN 0.357 nan 8.270 nan 0.000 0.446 382 D N 0.547 120.936 120.400 -0.017 0.000 2.144 382 D HA -0.129 4.511 4.640 0.000 0.000 0.200 382 D C 1.702 177.999 176.300 -0.006 0.000 0.978 382 D CA 0.712 54.691 54.000 -0.035 0.000 0.833 382 D CB -0.097 40.680 40.800 -0.039 0.000 0.961 382 D HN 0.050 nan 8.370 nan 0.000 0.470 383 L N 0.206 121.419 121.223 -0.016 0.000 2.141 383 L HA -0.006 4.334 4.340 0.000 0.000 0.209 383 L C 1.600 178.466 176.870 -0.007 0.000 1.094 383 L CA 1.392 56.155 54.840 -0.129 0.000 0.763 383 L CB -0.189 41.676 42.059 -0.322 0.000 0.908 383 L HN 0.003 nan 8.230 nan 0.000 0.437 384 L N -2.020 119.242 121.223 0.065 0.000 2.611 384 L HA 0.070 4.410 4.340 0.000 0.000 0.229 384 L C 0.186 177.302 176.870 0.411 0.000 1.137 384 L CA -0.293 54.677 54.840 0.217 0.000 0.901 384 L CB -0.515 41.555 42.059 0.020 0.000 1.098 384 L HN 0.170 nan 8.230 nan 0.000 0.456 385 Y N 1.234 121.644 120.300 0.184 0.000 3.125 385 Y HA -0.249 4.301 4.550 0.000 0.000 0.200 385 Y C -0.105 175.861 175.900 0.110 0.000 1.373 385 Y CA -0.079 58.129 58.100 0.180 0.000 1.180 385 Y CB -1.397 37.269 38.460 0.344 0.000 1.381 385 Y HN 0.146 nan 8.280 nan 0.000 0.501 386 I N 0.427 121.056 120.570 0.099 0.000 2.441 386 I HA 0.484 4.654 4.170 0.000 0.000 0.295 386 I C 1.359 177.481 176.117 0.008 0.000 0.994 386 I CA -0.166 61.182 61.300 0.080 0.000 1.144 386 I CB 1.589 39.633 38.000 0.075 0.000 1.314 386 I HN 0.406 nan 8.210 nan 0.000 0.445 387 G N 4.398 113.214 108.800 0.027 0.000 2.166 387 G HA2 -0.313 3.648 3.960 0.000 0.000 0.260 387 G HA3 -0.313 3.648 3.960 0.000 0.000 0.260 387 G C 0.534 175.409 174.900 -0.041 0.000 0.986 387 G CA 0.213 45.313 45.100 0.000 0.000 0.683 387 G HN 0.721 nan 8.290 nan 0.000 0.527 388 K N 0.002 120.346 120.400 -0.092 0.000 2.593 388 K HA 0.325 4.645 4.320 0.000 0.000 0.208 388 K C -0.451 176.093 176.600 -0.093 0.000 1.051 388 K CA -0.059 56.112 56.287 -0.194 0.000 1.111 388 K CB 0.680 32.888 32.500 -0.487 0.000 0.849 388 K HN 0.248 nan 8.250 nan 0.000 0.479 389 D N 0.592 121.009 120.400 0.028 0.000 2.688 389 D HA 0.039 4.680 4.640 0.000 0.000 0.210 389 D C 0.822 177.160 176.300 0.064 0.000 1.333 389 D CA -0.462 53.593 54.000 0.093 0.000 0.920 389 D CB 0.988 41.916 40.800 0.213 0.000 1.554 389 D HN 0.109 nan 8.370 nan 0.000 0.579 390 R N 3.340 123.865 120.500 0.042 0.000 2.096 390 R HA -0.166 4.174 4.340 0.000 0.000 0.240 390 R C 1.520 177.840 176.300 0.033 0.000 1.139 390 R CA 1.151 57.268 56.100 0.028 0.000 0.952 390 R CB -0.124 30.185 30.300 0.016 0.000 0.854 390 R HN 0.268 nan 8.270 nan 0.000 0.436 391 K N 0.358 120.781 120.400 0.038 0.000 2.305 391 K HA -0.042 4.278 4.320 0.000 0.000 0.199 391 K C 0.036 176.664 176.600 0.047 0.000 1.047 391 K CA 0.668 56.974 56.287 0.033 0.000 0.976 391 K CB 0.225 32.740 32.500 0.024 0.000 0.765 391 K HN 0.086 nan 8.250 nan 0.000 0.474 392 N N 0.408 119.149 118.700 0.068 0.000 2.762 392 N HA 0.209 4.949 4.740 0.000 0.000 0.252 392 N C -2.502 173.072 175.510 0.107 0.000 1.269 392 N CA -2.039 51.061 53.050 0.083 0.000 0.799 392 N CB 1.573 40.103 38.487 0.072 0.000 1.173 392 N HN -0.149 nan 8.380 nan 0.000 0.516 393 P HA -0.056 nan 4.420 nan 0.000 0.215 393 P C -0.294 177.080 177.300 0.124 0.000 1.153 393 P CA 0.982 64.138 63.100 0.093 0.000 0.853 393 P CB 0.209 31.956 31.700 0.077 0.000 0.788 394 R N -1.998 118.599 120.500 0.161 0.000 3.776 394 R HA -0.174 4.166 4.340 0.000 0.000 0.312 394 R C 0.834 177.301 176.300 0.279 0.000 1.181 394 R CA 0.302 56.550 56.100 0.247 0.000 0.836 394 R CB -1.851 28.517 30.300 0.113 0.000 1.324 394 R HN 0.293 nan 8.270 nan 0.000 0.501 395 E N 0.485 120.791 120.200 0.177 0.000 2.204 395 E HA -0.158 4.192 4.350 0.000 0.000 0.194 395 E C 1.228 177.894 176.600 0.109 0.000 0.989 395 E CA 1.193 57.662 56.400 0.115 0.000 0.824 395 E CB -0.073 29.663 29.700 0.060 0.000 0.756 395 E HN 0.359 nan 8.360 nan 0.000 0.477 396 D N -0.782 119.681 120.400 0.105 0.000 2.378 396 D HA -0.119 4.521 4.640 0.000 0.000 0.227 396 D C 0.604 176.828 176.300 -0.127 0.000 1.012 396 D CA 0.379 54.359 54.000 -0.034 0.000 0.905 396 D CB -0.099 40.630 40.800 -0.118 0.000 0.895 396 D HN 0.172 nan 8.370 nan 0.000 0.532 397 Y N -0.637 119.703 120.300 0.065 0.000 2.458 397 Y HA 0.311 4.861 4.550 0.000 0.000 0.256 397 Y C 0.017 175.991 175.900 0.124 0.000 1.159 397 Y CA -0.357 57.801 58.100 0.096 0.000 1.261 397 Y CB 0.707 39.217 38.460 0.083 0.000 1.119 397 Y HN -0.071 nan 8.280 nan 0.000 0.524 398 L N 0.615 121.950 121.223 0.187 0.000 2.580 398 L HA 0.516 4.856 4.340 0.000 0.000 0.266 398 L C -1.957 174.953 176.870 0.066 0.000 0.955 398 L CA -0.656 54.272 54.840 0.147 0.000 0.886 398 L CB 1.383 43.500 42.059 0.096 0.000 1.263 398 L HN -0.195 nan 8.230 nan 0.000 0.406 399 D N 3.827 124.280 120.400 0.089 0.000 2.498 399 D HA 0.654 5.294 4.640 0.000 0.000 0.247 399 D C -1.010 175.269 176.300 -0.035 0.000 1.070 399 D CA -0.035 53.951 54.000 -0.023 0.000 0.842 399 D CB 2.969 43.818 40.800 0.081 0.000 1.361 399 D HN 0.290 nan 8.370 nan 0.000 0.484 400 V N 3.086 122.867 119.914 -0.222 0.000 2.443 400 V HA 0.316 4.436 4.120 0.000 0.000 0.293 400 V C -1.103 174.909 176.094 -0.137 0.000 1.021 400 V CA -0.712 61.539 62.300 -0.083 0.000 0.848 400 V CB 0.781 32.566 31.823 -0.062 0.000 0.998 400 V HN 0.391 nan 8.190 nan 0.000 0.424 401 Y N 3.380 123.843 120.300 0.272 0.000 2.341 401 Y HA 0.700 5.250 4.550 0.000 0.000 0.337 401 Y C 0.027 175.983 175.900 0.094 0.000 1.014 401 Y CA -0.952 57.292 58.100 0.239 0.000 1.111 401 Y CB 2.079 40.812 38.460 0.456 0.000 1.194 401 Y HN 0.356 nan 8.280 nan 0.000 0.462 402 V N 4.665 124.618 119.914 0.064 0.000 2.483 402 V HA 0.380 4.500 4.120 0.000 0.000 0.297 402 V C -0.966 175.100 176.094 -0.047 0.000 1.027 402 V CA -1.109 61.227 62.300 0.061 0.000 0.855 402 V CB 0.983 32.847 31.823 0.069 0.000 0.995 402 V HN 0.488 nan 8.190 nan 0.000 0.424 403 F N 2.375 122.487 119.950 0.269 0.000 2.411 403 F HA 0.668 5.195 4.527 0.000 0.000 0.352 403 F C 1.082 176.990 175.800 0.181 0.000 1.123 403 F CA -0.495 57.650 58.000 0.241 0.000 1.044 403 F CB 1.683 40.779 39.000 0.159 0.000 1.135 403 F HN 0.579 nan 8.300 nan 0.000 0.461 404 G N 1.855 110.849 108.800 0.323 0.000 2.364 404 G HA2 0.444 4.404 3.960 0.000 0.000 0.267 404 G HA3 0.444 4.404 3.960 0.000 0.000 0.267 404 G C 0.522 175.552 174.900 0.216 0.000 1.233 404 G CA -0.194 45.046 45.100 0.233 0.000 0.885 404 G HN 0.687 nan 8.290 nan 0.000 0.490 405 V N 1.076 121.098 119.914 0.179 0.000 3.058 405 V HA 0.477 4.598 4.120 0.000 0.000 0.233 405 V C 1.482 177.645 176.094 0.115 0.000 1.255 405 V CA 0.804 63.187 62.300 0.138 0.000 1.267 405 V CB -0.975 30.927 31.823 0.130 0.000 1.049 405 V HN 0.799 nan 8.190 nan 0.000 0.486 406 G N 1.565 110.440 108.800 0.123 0.000 2.690 406 G HA2 0.315 4.275 3.960 0.000 0.000 0.239 406 G HA3 0.315 4.275 3.960 0.000 0.000 0.239 406 G C -1.284 173.672 174.900 0.093 0.000 1.233 406 G CA 0.237 45.401 45.100 0.106 0.000 0.847 406 G HN 0.368 nan 8.290 nan 0.000 0.588 407 P HA -0.035 nan 4.420 nan 0.000 0.215 407 P C 0.395 177.748 177.300 0.089 0.000 1.157 407 P CA 0.857 64.004 63.100 0.078 0.000 0.868 407 P CB 0.132 31.875 31.700 0.071 0.000 0.788 408 L N -0.153 121.122 121.223 0.087 0.000 2.265 408 L HA 0.360 4.700 4.340 0.000 0.000 0.289 408 L C -0.104 176.816 176.870 0.084 0.000 1.033 408 L CA -0.488 54.403 54.840 0.085 0.000 0.814 408 L CB 0.883 42.987 42.059 0.075 0.000 1.203 408 L HN -0.196 nan 8.230 nan 0.000 0.423 409 V N 5.192 125.159 119.914 0.088 0.000 2.487 409 V HA 0.455 4.575 4.120 0.000 0.000 0.298 409 V C -0.118 176.019 176.094 0.072 0.000 1.028 409 V CA -0.670 61.684 62.300 0.089 0.000 0.860 409 V CB 2.046 33.935 31.823 0.109 0.000 0.991 409 V HN 0.835 nan 8.190 nan 0.000 0.427 410 N N 5.259 123.994 118.700 0.059 0.000 2.482 410 N HA 0.231 4.971 4.740 0.000 0.000 0.242 410 N C 0.891 176.430 175.510 0.048 0.000 1.100 410 N CA 0.211 53.286 53.050 0.041 0.000 0.946 410 N CB 1.132 39.626 38.487 0.012 0.000 1.227 410 N HN 0.792 nan 8.380 nan 0.000 0.508 411 Q N 1.702 121.528 119.800 0.042 0.000 2.364 411 Q HA -0.067 4.273 4.340 0.000 0.000 0.207 411 Q C 1.298 177.313 176.000 0.024 0.000 0.970 411 Q CA 0.948 56.771 55.803 0.033 0.000 0.888 411 Q CB 0.365 29.114 28.738 0.019 0.000 0.951 411 Q HN 0.488 nan 8.270 nan 0.000 0.469 412 V N 1.370 121.299 119.914 0.026 0.000 2.379 412 V HA -0.208 3.912 4.120 0.000 0.000 0.245 412 V C 1.505 177.622 176.094 0.038 0.000 1.044 412 V CA 1.642 63.957 62.300 0.025 0.000 1.036 412 V CB -0.369 31.469 31.823 0.026 0.000 0.664 412 V HN 0.355 nan 8.190 nan 0.000 0.453 413 N N 0.602 119.336 118.700 0.057 0.000 2.290 413 N HA 0.006 4.746 4.740 0.000 0.000 0.179 413 N C 1.807 177.372 175.510 0.091 0.000 1.016 413 N CA 1.526 54.636 53.050 0.100 0.000 0.871 413 N CB -0.328 38.250 38.487 0.152 0.000 0.987 413 N HN 0.671 nan 8.380 nan 0.000 0.431 414 I N -1.671 118.946 120.570 0.078 0.000 2.676 414 I HA 0.008 4.178 4.170 0.000 0.000 0.259 414 I C 1.683 177.813 176.117 0.020 0.000 1.194 414 I CA 1.285 62.626 61.300 0.068 0.000 1.473 414 I CB -0.224 37.825 38.000 0.081 0.000 1.096 414 I HN -0.115 nan 8.210 nan 0.000 0.443 415 N N 2.080 120.784 118.700 0.006 0.000 2.376 415 N HA 0.034 4.774 4.740 0.000 0.000 0.177 415 N C 1.785 177.279 175.510 -0.027 0.000 1.024 415 N CA 1.312 54.346 53.050 -0.026 0.000 0.893 415 N CB 0.014 38.484 38.487 -0.029 0.000 0.980 415 N HN 0.461 nan 8.380 nan 0.000 0.439 416 A N -0.109 122.709 122.820 -0.004 0.000 2.067 416 A HA 0.137 4.457 4.320 0.000 0.000 0.217 416 A C 2.062 179.632 177.584 -0.022 0.000 1.156 416 A CA 0.515 52.547 52.037 -0.009 0.000 0.683 416 A CB -0.274 18.735 19.000 0.014 0.000 0.808 416 A HN 0.326 nan 8.150 nan 0.000 0.455 417 L N -0.939 120.274 121.223 -0.016 0.000 2.221 417 L HA 0.187 4.527 4.340 0.000 0.000 0.202 417 L C 1.673 178.510 176.870 -0.054 0.000 1.074 417 L CA 0.264 55.088 54.840 -0.026 0.000 0.795 417 L CB -0.549 41.510 42.059 0.001 0.000 0.960 417 L HN 0.347 nan 8.230 nan 0.000 0.458 418 A N 0.378 123.163 122.820 -0.058 0.000 2.520 418 A HA 0.197 4.517 4.320 0.000 0.000 0.235 418 A C 0.552 178.014 177.584 -0.205 0.000 1.065 418 A CA -0.038 51.934 52.037 -0.107 0.000 0.764 418 A CB 0.101 19.051 19.000 -0.083 0.000 1.002 418 A HN 0.246 nan 8.150 nan 0.000 0.502 419 S N 0.446 115.901 115.700 -0.408 0.000 2.593 419 S HA 0.338 4.808 4.470 0.000 0.000 0.269 419 S C -0.093 174.205 174.600 -0.504 0.000 1.334 419 S CA -0.024 57.845 58.200 -0.552 0.000 1.015 419 S CB 0.491 63.180 63.200 -0.852 0.000 0.912 419 S HN 0.506 nan 8.310 nan 0.000 0.541 420 K N 2.112 122.327 120.400 -0.309 0.000 2.530 420 K HA 0.336 4.656 4.320 0.000 0.000 0.230 420 K C -0.805 175.736 176.600 -0.098 0.000 1.002 420 K CA -0.098 56.097 56.287 -0.154 0.000 1.014 420 K CB 0.906 33.352 32.500 -0.090 0.000 1.286 420 K HN 0.319 nan 8.250 nan 0.000 0.480 421 K N 1.131 121.510 120.400 -0.035 0.000 2.221 421 K HA 0.202 4.522 4.320 0.000 0.000 0.258 421 K C -0.755 175.881 176.600 0.060 0.000 0.944 421 K CA -1.142 55.166 56.287 0.034 0.000 0.823 421 K CB 1.603 34.161 32.500 0.097 0.000 1.113 421 K HN 0.396 nan 8.250 nan 0.000 0.431 422 D N 2.306 122.731 120.400 0.043 0.000 2.531 422 D HA -0.111 4.529 4.640 0.000 0.000 0.239 422 D C 0.553 176.871 176.300 0.030 0.000 1.144 422 D CA 1.252 55.276 54.000 0.039 0.000 0.869 422 D CB 0.220 41.047 40.800 0.045 0.000 1.160 422 D HN 0.617 nan 8.370 nan 0.000 0.484 423 N N 1.841 120.552 118.700 0.018 0.000 2.800 423 N HA -0.219 4.521 4.740 0.000 0.000 0.250 423 N C -1.159 174.364 175.510 0.022 0.000 1.078 423 N CA 1.110 54.166 53.050 0.010 0.000 0.804 423 N CB -0.723 37.766 38.487 0.003 0.000 1.135 423 N HN 0.725 nan 8.380 nan 0.000 0.565 424 E N 0.169 120.393 120.200 0.041 0.000 2.288 424 E HA 0.372 4.722 4.350 0.000 0.000 0.268 424 E C -0.549 176.067 176.600 0.025 0.000 0.885 424 E CA -0.634 55.787 56.400 0.035 0.000 0.767 424 E CB 2.002 31.745 29.700 0.072 0.000 1.220 424 E HN 0.188 nan 8.360 nan 0.000 0.427 425 Q N 1.877 121.649 119.800 -0.045 0.000 2.331 425 Q HA 0.252 4.592 4.340 0.000 0.000 0.267 425 Q C -0.376 175.441 176.000 -0.305 0.000 1.006 425 Q CA -0.378 55.363 55.803 -0.104 0.000 0.818 425 Q CB 0.838 29.563 28.738 -0.022 0.000 1.276 425 Q HN 0.714 nan 8.270 nan 0.000 0.450 426 H N 1.902 120.780 119.070 -0.321 0.000 3.170 426 H HA 0.220 4.776 4.556 0.000 0.000 0.264 426 H C -0.380 174.593 175.328 -0.591 0.000 1.113 426 H CA 0.197 56.069 56.048 -0.293 0.000 1.194 426 H CB 1.423 30.998 29.762 -0.313 0.000 1.553 426 H HN 0.261 nan 8.280 nan 0.000 0.538 427 V N 2.205 121.695 119.914 -0.707 0.000 2.398 427 V HA 0.289 4.410 4.120 0.000 0.000 0.286 427 V C -0.784 174.795 176.094 -0.859 0.000 1.026 427 V CA -0.402 61.554 62.300 -0.573 0.000 0.868 427 V CB 1.129 32.795 31.823 -0.261 0.000 0.982 427 V HN 0.040 nan 8.190 nan 0.000 0.443 428 F N 2.658 122.583 119.950 -0.041 0.000 2.561 428 F HA 0.541 5.068 4.527 0.000 0.000 0.313 428 F C -0.049 175.826 175.800 0.124 0.000 1.126 428 F CA -0.949 57.081 58.000 0.050 0.000 0.918 428 F CB 2.153 41.204 39.000 0.085 0.000 1.199 428 F HN 0.315 nan 8.300 nan 0.000 0.444 429 K N 3.839 124.423 120.400 0.307 0.000 2.478 429 K HA 0.525 4.846 4.320 0.000 0.000 0.236 429 K C -0.869 175.886 176.600 0.258 0.000 1.021 429 K CA -0.594 55.843 56.287 0.249 0.000 1.010 429 K CB 0.898 33.505 32.500 0.179 0.000 1.331 429 K HN 0.638 nan 8.250 nan 0.000 0.470 430 V N 1.682 121.744 119.914 0.246 0.000 2.599 430 V HA 0.046 4.166 4.120 0.000 0.000 0.300 430 V C 1.248 177.409 176.094 0.111 0.000 1.034 430 V CA -0.107 62.291 62.300 0.164 0.000 1.115 430 V CB 1.125 33.012 31.823 0.106 0.000 0.934 430 V HN 0.838 nan 8.190 nan 0.000 0.485 431 K N 2.784 123.220 120.400 0.059 0.000 1.995 431 K HA -0.067 4.253 4.320 0.000 0.000 0.217 431 K C 1.408 177.970 176.600 -0.064 0.000 1.030 431 K CA 1.695 57.943 56.287 -0.064 0.000 0.971 431 K CB -0.159 32.170 32.500 -0.286 0.000 0.775 431 K HN 0.856 nan 8.250 nan 0.000 0.446 432 D N -0.149 120.199 120.400 -0.085 0.000 2.249 432 D HA -0.015 4.626 4.640 0.000 0.000 0.205 432 D C 0.720 176.994 176.300 -0.043 0.000 0.962 432 D CA 0.422 54.382 54.000 -0.065 0.000 0.860 432 D CB -0.143 40.611 40.800 -0.075 0.000 0.955 432 D HN 0.212 nan 8.370 nan 0.000 0.505 433 M N -0.229 119.346 119.600 -0.041 0.000 7.319 433 M HA -0.362 4.118 4.480 0.000 0.000 0.158 433 M C 0.359 176.624 176.300 -0.059 0.000 0.480 433 M CA 1.197 56.469 55.300 -0.048 0.000 1.311 433 M CB -0.289 32.293 32.600 -0.030 0.000 0.421 433 M HN 0.298 nan 8.290 nan 0.000 0.191 434 E N -2.403 117.756 120.200 -0.067 0.000 5.086 434 E HA -0.332 4.018 4.350 0.000 0.000 0.187 434 E C 0.616 177.177 176.600 -0.066 0.000 1.056 434 E CA 1.459 57.821 56.400 -0.064 0.000 2.105 434 E CB -1.445 28.222 29.700 -0.055 0.000 1.787 434 E HN 0.793 nan 8.360 nan 0.000 0.445 435 N N 0.785 119.440 118.700 -0.074 0.000 2.270 435 N HA -0.005 4.735 4.740 0.000 0.000 0.181 435 N C 1.788 177.226 175.510 -0.121 0.000 1.016 435 N CA 0.997 53.997 53.050 -0.082 0.000 0.870 435 N CB -0.156 38.285 38.487 -0.078 0.000 0.979 435 N HN 0.249 nan 8.380 nan 0.000 0.431 436 L N 1.317 122.447 121.223 -0.154 0.000 2.013 436 L HA -0.212 4.128 4.340 0.000 0.000 0.212 436 L C 2.495 179.263 176.870 -0.171 0.000 1.073 436 L CA 1.449 56.119 54.840 -0.283 0.000 0.753 436 L CB -0.360 41.547 42.059 -0.254 0.000 0.890 436 L HN 0.314 nan 8.230 nan 0.000 0.432 437 E N 0.065 120.264 120.200 -0.003 0.000 2.049 437 E HA -0.335 4.015 4.350 0.000 0.000 0.198 437 E C 1.725 178.375 176.600 0.083 0.000 1.007 437 E CA 2.045 58.502 56.400 0.095 0.000 0.809 437 E CB -0.076 29.629 29.700 0.009 0.000 0.749 437 E HN 0.374 nan 8.360 nan 0.000 0.450 438 D N -0.513 119.888 120.400 0.001 0.000 2.264 438 D HA -0.085 4.556 4.640 0.000 0.000 0.208 438 D C 1.904 178.227 176.300 0.040 0.000 0.966 438 D CA 0.495 54.504 54.000 0.014 0.000 0.864 438 D CB 0.255 41.037 40.800 -0.030 0.000 0.933 438 D HN 0.114 nan 8.370 nan 0.000 0.499 439 V N 0.046 119.924 119.914 -0.061 0.000 2.407 439 V HA -0.150 3.970 4.120 0.000 0.000 0.245 439 V C 2.079 178.123 176.094 -0.082 0.000 1.041 439 V CA 0.917 63.142 62.300 -0.125 0.000 1.040 439 V CB -0.565 31.091 31.823 -0.279 0.000 0.671 439 V HN 0.088 nan 8.190 nan 0.000 0.455 440 F N -0.329 119.626 119.950 0.009 0.000 2.126 440 F HA -0.209 4.318 4.527 0.000 0.000 0.299 440 F C 2.359 178.175 175.800 0.026 0.000 1.096 440 F CA 1.787 59.791 58.000 0.007 0.000 1.255 440 F CB -1.055 37.936 39.000 -0.015 0.000 0.997 440 F HN 0.190 nan 8.300 nan 0.000 0.479 441 Y N 0.687 121.065 120.300 0.130 0.000 2.224 441 Y HA -0.287 4.263 4.550 0.000 0.000 0.289 441 Y C 2.538 178.451 175.900 0.022 0.000 1.146 441 Y CA 1.903 60.033 58.100 0.049 0.000 1.182 441 Y CB -0.421 38.051 38.460 0.020 0.000 0.983 441 Y HN 0.093 nan 8.280 nan 0.000 0.524 442 Q N -0.001 119.867 119.800 0.114 0.000 2.311 442 Q HA -0.033 4.307 4.340 0.000 0.000 0.203 442 Q C 1.478 177.456 176.000 -0.036 0.000 0.954 442 Q CA 1.394 57.210 55.803 0.023 0.000 0.885 442 Q CB -0.184 28.590 28.738 0.060 0.000 0.963 442 Q HN 0.578 nan 8.270 nan 0.000 0.471 443 M N -0.111 119.483 119.600 -0.009 0.000 2.494 443 M HA 0.210 4.690 4.480 0.000 0.000 0.232 443 M C -0.419 175.859 176.300 -0.038 0.000 1.137 443 M CA -0.010 55.291 55.300 0.001 0.000 1.012 443 M CB 0.499 33.133 32.600 0.056 0.000 1.567 443 M HN 0.028 nan 8.290 nan 0.000 0.486 444 I N 1.368 121.869 120.570 -0.114 0.000 2.363 444 I HA 0.079 4.249 4.170 0.000 0.000 0.292 444 I C -0.361 175.657 176.117 -0.165 0.000 1.075 444 I CA -0.003 61.192 61.300 -0.176 0.000 1.333 444 I CB 0.207 38.059 38.000 -0.247 0.000 1.415 444 I HN -0.038 nan 8.210 nan 0.000 0.502 445 D N 5.384 125.698 120.400 -0.144 0.000 2.476 445 D HA 0.219 4.859 4.640 0.000 0.000 0.251 445 D C 0.445 176.692 176.300 -0.090 0.000 1.291 445 D CA -0.448 53.495 54.000 -0.096 0.000 0.939 445 D CB 1.327 42.098 40.800 -0.048 0.000 1.221 445 D HN 0.361 nan 8.370 nan 0.000 0.567 446 E N 0.579 120.730 120.200 -0.081 0.000 2.418 446 E HA -0.067 4.283 4.350 0.000 0.000 0.197 446 E C 1.811 178.402 176.600 -0.015 0.000 1.026 446 E CA 0.687 57.053 56.400 -0.057 0.000 0.862 446 E CB 0.153 29.821 29.700 -0.052 0.000 0.799 446 E HN 0.458 nan 8.360 nan 0.000 0.518 447 S N 0.620 116.314 115.700 -0.011 0.000 2.414 447 S HA -0.156 4.314 4.470 0.000 0.000 0.227 447 S C 1.137 175.753 174.600 0.028 0.000 1.022 447 S CA 0.019 58.224 58.200 0.008 0.000 0.958 447 S CB -0.518 62.684 63.200 0.003 0.000 0.797 447 S HN 0.376 nan 8.310 nan 0.000 0.493 448 Q N 2.698 122.520 119.800 0.036 0.000 2.297 448 Q HA 0.411 4.751 4.340 0.000 0.000 0.267 448 Q C -0.172 175.885 176.000 0.095 0.000 1.006 448 Q CA -0.305 55.536 55.803 0.063 0.000 0.896 448 Q CB 0.502 29.288 28.738 0.080 0.000 1.186 448 Q HN 0.416 nan 8.270 nan 0.000 0.392 449 S N 2.987 118.733 115.700 0.077 0.000 2.652 449 S HA 0.436 4.906 4.470 0.000 0.000 0.270 449 S C -0.244 174.399 174.600 0.072 0.000 1.243 449 S CA -1.019 57.230 58.200 0.081 0.000 0.999 449 S CB 0.912 64.150 63.200 0.064 0.000 0.973 449 S HN 0.605 nan 8.310 nan 0.000 0.544 450 L N 2.344 123.602 121.223 0.058 0.000 2.264 450 L HA 0.453 4.793 4.340 0.000 0.000 0.289 450 L C 0.636 177.497 176.870 -0.015 0.000 1.044 450 L CA 0.334 55.169 54.840 -0.008 0.000 0.807 450 L CB 1.030 43.074 42.059 -0.025 0.000 1.192 450 L HN 0.969 nan 8.230 nan 0.000 0.425 451 S N 3.297 118.972 115.700 -0.042 0.000 2.572 451 S HA 0.201 4.671 4.470 0.000 0.000 0.267 451 S C 0.436 175.017 174.600 -0.031 0.000 1.361 451 S CA 0.149 58.326 58.200 -0.040 0.000 1.009 451 S CB 0.369 63.534 63.200 -0.058 0.000 0.888 451 S HN 0.666 nan 8.310 nan 0.000 0.553 452 L N 2.748 123.946 121.223 -0.042 0.000 4.013 452 L HA 0.327 4.667 4.340 0.000 0.000 0.387 452 L C -0.018 176.812 176.870 -0.068 0.000 1.204 452 L CA -0.070 54.748 54.840 -0.036 0.000 1.313 452 L CB -0.518 41.505 42.059 -0.059 0.000 1.538 452 L HN 0.860 nan 8.230 nan 0.000 0.625 453 c N -0.415 118.140 118.600 -0.076 0.000 2.539 453 c HA 0.774 5.344 4.570 0.000 0.000 0.392 453 c C 1.768 175.831 174.090 -0.045 0.000 1.269 453 c CA 0.050 56.328 56.329 -0.086 0.000 2.250 453 c CB -0.024 42.424 42.510 -0.102 0.000 2.584 453 c HN 1.162 nan 8.230 nan 0.000 0.589 454 G N 3.192 111.959 108.800 -0.055 0.000 2.249 454 G HA2 -0.169 3.792 3.960 0.000 0.000 0.273 454 G HA3 -0.169 3.792 3.960 0.000 0.000 0.273 454 G C -0.120 174.887 174.900 0.179 0.000 1.036 454 G CA 0.433 45.530 45.100 -0.006 0.000 0.824 454 G HN 0.822 nan 8.290 nan 0.000 0.504 455 M N -0.027 119.660 119.600 0.144 0.000 2.157 455 M HA 0.594 5.074 4.480 0.000 0.000 0.354 455 M C -0.073 176.282 176.300 0.091 0.000 1.170 455 M CA -0.710 54.711 55.300 0.203 0.000 1.060 455 M CB 1.392 34.149 32.600 0.263 0.000 1.615 455 M HN 0.010 nan 8.290 nan 0.000 0.460 456 V N 4.748 124.782 119.914 0.200 0.000 2.610 456 V HA 0.469 4.589 4.120 0.000 0.000 0.298 456 V C -1.430 174.765 176.094 0.169 0.000 1.067 456 V CA -0.723 61.578 62.300 0.001 0.000 0.894 456 V CB 1.719 33.639 31.823 0.163 0.000 1.015 456 V HN 0.955 nan 8.190 nan 0.000 0.432 457 W N 2.689 124.095 121.300 0.177 0.000 2.666 457 W HA 0.744 5.404 4.660 0.000 0.000 0.334 457 W C 0.047 176.659 176.519 0.155 0.000 1.051 457 W CA -1.018 56.424 57.345 0.161 0.000 1.224 457 W CB 0.737 30.283 29.460 0.143 0.000 1.405 457 W HN 0.392 nan 8.180 nan 0.000 0.513 458 E N 2.919 123.325 120.200 0.344 0.000 1.800 458 E HA -0.054 4.296 4.350 0.000 0.000 0.262 458 E C -0.600 176.136 176.600 0.227 0.000 1.219 458 E CA 0.262 56.787 56.400 0.208 0.000 1.051 458 E CB -0.711 29.068 29.700 0.130 0.000 1.074 458 E HN 0.541 nan 8.360 nan 0.000 0.433 459 H N 1.477 120.653 119.070 0.177 0.000 2.551 459 H HA 0.070 4.626 4.556 0.000 0.000 0.358 459 H C 1.767 177.104 175.328 0.015 0.000 1.151 459 H CA -0.112 56.024 56.048 0.147 0.000 1.374 459 H CB 0.881 30.746 29.762 0.173 0.000 1.473 459 H HN 0.333 nan 8.280 nan 0.000 0.574 460 R N 2.813 123.245 120.500 -0.113 0.000 2.097 460 R HA -0.167 4.173 4.340 0.000 0.000 0.236 460 R C 1.440 177.734 176.300 -0.011 0.000 1.135 460 R CA 1.687 57.747 56.100 -0.066 0.000 0.934 460 R CB -0.315 29.920 30.300 -0.109 0.000 0.846 460 R HN 0.496 nan 8.270 nan 0.000 0.431 461 K N 0.251 120.668 120.400 0.029 0.000 2.026 461 K HA -0.043 4.277 4.320 0.000 0.000 0.208 461 K C 1.210 177.741 176.600 -0.115 0.000 1.048 461 K CA 1.127 57.383 56.287 -0.053 0.000 0.929 461 K CB -0.453 31.993 32.500 -0.089 0.000 0.713 461 K HN 0.575 nan 8.250 nan 0.000 0.439 462 G N 2.494 111.189 108.800 -0.175 0.000 2.356 462 G HA2 -0.256 3.705 3.960 0.000 0.000 0.296 462 G HA3 -0.256 3.705 3.960 0.000 0.000 0.296 462 G C -0.095 174.726 174.900 -0.132 0.000 1.022 462 G CA 0.502 45.514 45.100 -0.146 0.000 0.961 462 G HN 0.254 nan 8.290 nan 0.000 0.510 463 T N 1.159 115.589 114.554 -0.207 0.000 2.916 463 T HA 0.388 4.739 4.350 0.000 0.000 0.303 463 T C 0.860 175.645 174.700 0.140 0.000 1.025 463 T CA 0.547 62.658 62.100 0.017 0.000 1.142 463 T CB 0.520 69.448 68.868 0.100 0.000 0.947 463 T HN 0.672 nan 8.240 nan 0.000 0.544 464 D N 1.063 121.478 120.400 0.024 0.000 2.515 464 D HA -0.094 4.546 4.640 0.000 0.000 0.232 464 D C 0.127 176.411 176.300 -0.026 0.000 1.157 464 D CA -0.052 53.883 54.000 -0.109 0.000 0.871 464 D CB -0.047 40.624 40.800 -0.215 0.000 1.200 464 D HN 0.721 nan 8.370 nan 0.000 0.466 465 Y N -1.136 119.034 120.300 -0.216 0.000 4.745 465 Y HA -0.287 4.263 4.550 0.000 0.000 0.295 465 Y C 1.226 176.883 175.900 -0.405 0.000 0.956 465 Y CA 1.453 59.359 58.100 -0.322 0.000 1.684 465 Y CB -2.114 36.190 38.460 -0.261 0.000 1.002 465 Y HN 0.696 nan 8.280 nan 0.000 0.430 466 H N -0.620 118.345 119.070 -0.175 0.000 2.520 466 H HA 0.169 4.725 4.556 0.000 0.000 0.279 466 H C 1.637 176.759 175.328 -0.344 0.000 0.990 466 H CA 1.380 57.279 56.048 -0.248 0.000 1.288 466 H CB 0.174 29.830 29.762 -0.177 0.000 1.446 466 H HN 0.331 nan 8.280 nan 0.000 0.538 467 K N 0.012 120.273 120.400 -0.231 0.000 2.356 467 K HA 0.088 4.408 4.320 0.000 0.000 0.195 467 K C -0.147 176.089 176.600 -0.608 0.000 1.037 467 K CA 0.486 56.588 56.287 -0.308 0.000 1.014 467 K CB 0.708 33.079 32.500 -0.214 0.000 0.815 467 K HN 0.139 nan 8.250 nan 0.000 0.507 468 Q N -0.511 118.792 119.800 -0.830 0.000 3.394 468 Q HA 0.155 4.495 4.340 0.000 0.000 0.285 468 Q C -2.420 172.825 176.000 -1.259 0.000 0.866 468 Q CA -1.259 53.577 55.803 -1.611 0.000 0.844 468 Q CB 1.453 29.422 28.738 -1.282 0.000 1.472 468 Q HN -0.083 nan 8.270 nan 0.000 0.401 469 P HA -0.165 nan 4.420 nan 0.000 0.218 469 P C 0.526 177.703 177.300 -0.205 0.000 1.149 469 P CA 0.965 63.848 63.100 -0.361 0.000 0.817 469 P CB -0.025 31.537 31.700 -0.231 0.000 0.785 470 W N -0.721 120.526 121.300 -0.089 0.000 2.699 470 W HA 0.133 4.793 4.660 0.000 0.000 0.249 470 W C 0.495 177.023 176.519 0.015 0.000 1.280 470 W CA -0.281 57.041 57.345 -0.039 0.000 1.345 470 W CB -1.622 27.799 29.460 -0.065 0.000 1.128 470 W HN -0.138 nan 8.180 nan 0.000 0.642 471 Q N 2.357 121.920 119.800 -0.395 0.000 2.289 471 Q HA 0.400 4.740 4.340 0.000 0.000 0.273 471 Q C -0.482 175.572 176.000 0.089 0.000 1.029 471 Q CA 0.454 56.161 55.803 -0.160 0.000 0.896 471 Q CB 0.839 29.360 28.738 -0.361 0.000 1.182 471 Q HN 0.274 nan 8.270 nan 0.000 0.385 472 A N 4.646 127.539 122.820 0.122 0.000 2.342 472 A HA 0.586 4.906 4.320 0.000 0.000 0.323 472 A C -1.044 176.610 177.584 0.118 0.000 1.125 472 A CA -0.764 51.344 52.037 0.118 0.000 0.785 472 A CB 1.079 20.150 19.000 0.118 0.000 1.221 472 A HN 0.678 nan 8.150 nan 0.000 0.463 473 K N 3.132 123.593 120.400 0.101 0.000 2.389 473 K HA 0.589 4.909 4.320 0.000 0.000 0.261 473 K C -1.303 175.344 176.600 0.078 0.000 1.014 473 K CA -0.218 56.126 56.287 0.094 0.000 0.920 473 K CB 0.511 33.072 32.500 0.101 0.000 1.149 473 K HN 0.704 nan 8.250 nan 0.000 0.444 474 I N 2.494 123.115 120.570 0.085 0.000 2.392 474 I HA 0.248 4.418 4.170 0.000 0.000 0.295 474 I C -0.264 175.901 176.117 0.080 0.000 0.985 474 I CA -0.515 60.845 61.300 0.100 0.000 1.221 474 I CB 1.985 40.068 38.000 0.137 0.000 1.366 474 I HN 0.511 nan 8.210 nan 0.000 0.467 475 S N 4.498 120.255 115.700 0.095 0.000 2.548 475 S HA 0.719 5.189 4.470 0.000 0.000 0.286 475 S C -0.756 173.910 174.600 0.111 0.000 1.098 475 S CA -0.666 57.589 58.200 0.092 0.000 0.930 475 S CB 2.571 65.812 63.200 0.068 0.000 1.070 475 S HN 0.294 nan 8.310 nan 0.000 0.480 476 V N 2.814 122.794 119.914 0.111 0.000 2.623 476 V HA 0.503 4.623 4.120 0.000 0.000 0.304 476 V C -0.637 175.523 176.094 0.110 0.000 1.054 476 V CA -0.643 61.725 62.300 0.114 0.000 0.882 476 V CB 1.789 33.681 31.823 0.115 0.000 1.002 476 V HN 0.903 nan 8.190 nan 0.000 0.424 477 I N 5.213 125.835 120.570 0.085 0.000 2.336 477 I HA 0.618 4.789 4.170 0.000 0.000 0.292 477 I C -0.234 175.926 176.117 0.070 0.000 0.991 477 I CA -0.281 61.069 61.300 0.084 0.000 1.227 477 I CB 0.634 38.675 38.000 0.067 0.000 1.366 477 I HN 0.661 nan 8.210 nan 0.000 0.466 478 R N 6.499 127.047 120.500 0.079 0.000 2.744 478 R HA 0.449 4.789 4.340 0.000 0.000 0.279 478 R C -2.577 173.762 176.300 0.065 0.000 0.977 478 R CA -1.821 54.318 56.100 0.066 0.000 0.906 478 R CB 1.380 31.717 30.300 0.061 0.000 1.197 478 R HN 0.398 nan 8.270 nan 0.000 0.463 479 P HA -0.005 nan 4.420 nan 0.000 0.250 479 P C -0.334 176.995 177.300 0.048 0.000 1.198 479 P CA 0.813 63.946 63.100 0.054 0.000 1.118 479 P CB 0.240 31.971 31.700 0.051 0.000 1.208 480 S N 0.948 116.679 115.700 0.051 0.000 2.378 480 S HA -0.287 4.183 4.470 0.000 0.000 0.240 480 S C 1.602 176.229 174.600 0.045 0.000 1.229 480 S CA 2.001 60.229 58.200 0.047 0.000 1.607 480 S CB -1.322 61.900 63.200 0.038 0.000 2.074 480 S HN 0.493 nan 8.310 nan 0.000 0.620 481 K N 2.342 122.767 120.400 0.043 0.000 2.211 481 K HA 0.198 4.518 4.320 0.000 0.000 0.204 481 K C 1.057 177.675 176.600 0.030 0.000 1.047 481 K CA 2.005 58.312 56.287 0.034 0.000 0.935 481 K CB -0.633 31.888 32.500 0.035 0.000 0.728 481 K HN 1.054 nan 8.250 nan 0.000 0.452 482 G N -1.236 107.593 108.800 0.048 0.000 2.316 482 G HA2 0.016 3.976 3.960 0.000 0.000 0.349 482 G HA3 0.016 3.976 3.960 0.000 0.000 0.349 482 G C -1.717 173.236 174.900 0.087 0.000 1.274 482 G CA -0.393 44.735 45.100 0.046 0.000 1.018 482 G HN 0.635 nan 8.290 nan 0.000 0.486 483 H N -1.033 118.055 119.070 0.031 0.000 2.547 483 H HA 0.797 5.353 4.556 0.000 0.000 0.342 483 H C -0.458 174.885 175.328 0.025 0.000 1.048 483 H CA -0.627 55.438 56.048 0.029 0.000 1.204 483 H CB 2.087 31.866 29.762 0.028 0.000 1.493 483 H HN 0.577 nan 8.280 nan 0.000 0.511 484 E N 2.421 122.651 120.200 0.049 0.000 2.259 484 E HA 0.228 4.578 4.350 0.000 0.000 0.281 484 E C -0.704 175.926 176.600 0.050 0.000 1.037 484 E CA -0.389 56.008 56.400 -0.005 0.000 0.854 484 E CB 0.979 30.662 29.700 -0.029 0.000 1.051 484 E HN 0.588 nan 8.360 nan 0.000 0.409 485 S N 4.553 120.275 115.700 0.037 0.000 2.520 485 S HA 0.496 4.966 4.470 0.000 0.000 0.324 485 S C -0.925 173.690 174.600 0.023 0.000 1.069 485 S CA -0.653 57.593 58.200 0.076 0.000 1.121 485 S CB -0.294 62.984 63.200 0.130 0.000 0.971 485 S HN 0.614 nan 8.310 nan 0.000 0.463 486 c N 4.584 123.179 118.600 -0.008 0.000 3.028 486 c HA 0.723 5.293 4.570 0.000 0.000 0.338 486 c C -0.184 173.919 174.090 0.021 0.000 1.366 486 c CA -0.819 55.492 56.329 -0.031 0.000 1.610 486 c CB 1.717 44.127 42.510 -0.166 0.000 2.063 486 c HN 0.825 nan 8.230 nan 0.000 0.463 487 M N 0.339 119.962 119.600 0.038 0.000 2.658 487 M HA 0.687 5.167 4.480 0.000 0.000 0.295 487 M C -0.025 176.337 176.300 0.102 0.000 1.248 487 M CA -0.067 55.281 55.300 0.081 0.000 0.843 487 M CB 2.499 35.156 32.600 0.095 0.000 1.749 487 M HN 0.944 nan 8.290 nan 0.000 0.464 488 G N 0.168 109.048 108.800 0.132 0.000 2.749 488 G HA2 0.873 4.833 3.960 0.000 0.000 0.300 488 G HA3 0.873 4.833 3.960 0.000 0.000 0.300 488 G C -2.333 172.682 174.900 0.192 0.000 1.352 488 G CA -0.585 44.611 45.100 0.159 0.000 0.789 488 G HN 0.855 nan 8.290 nan 0.000 0.509 489 A N -0.782 122.162 122.820 0.207 0.000 2.414 489 A HA 0.694 5.014 4.320 0.000 0.000 0.306 489 A C -0.721 176.994 177.584 0.218 0.000 1.054 489 A CA -0.511 51.681 52.037 0.259 0.000 0.724 489 A CB 1.890 21.052 19.000 0.269 0.000 1.267 489 A HN 1.249 nan 8.150 nan 0.000 0.418 490 V N 3.577 123.632 119.914 0.234 0.000 2.415 490 V HA 0.170 4.290 4.120 0.000 0.000 0.267 490 V C 1.381 177.591 176.094 0.192 0.000 1.042 490 V CA 0.618 63.042 62.300 0.207 0.000 1.000 490 V CB 0.555 32.502 31.823 0.206 0.000 1.015 490 V HN 1.045 nan 8.190 nan 0.000 0.478 491 V N 2.155 122.182 119.914 0.188 0.000 3.307 491 V HA 0.287 4.407 4.120 0.000 0.000 0.253 491 V C 0.789 176.988 176.094 0.176 0.000 1.149 491 V CA 1.047 63.434 62.300 0.144 0.000 1.112 491 V CB 0.178 32.077 31.823 0.126 0.000 0.777 491 V HN 0.826 nan 8.190 nan 0.000 0.464 492 S N -0.711 115.149 115.700 0.266 0.000 2.843 492 S HA 0.432 4.902 4.470 0.000 0.000 0.301 492 S C 0.285 175.098 174.600 0.356 0.000 1.206 492 S CA -0.090 58.307 58.200 0.329 0.000 0.875 492 S CB 1.349 64.769 63.200 0.367 0.000 1.248 492 S HN 0.185 nan 8.310 nan 0.000 0.555 493 E N -0.590 119.795 120.200 0.309 0.000 2.427 493 E HA 0.105 4.455 4.350 0.000 0.000 0.196 493 E C 0.133 176.655 176.600 -0.129 0.000 1.028 493 E CA 0.811 57.227 56.400 0.027 0.000 0.864 493 E CB -0.108 29.572 29.700 -0.032 0.000 0.813 493 E HN 0.620 nan 8.360 nan 0.000 0.514 494 Y N -1.875 118.420 120.300 -0.009 0.000 2.494 494 Y HA 0.210 4.760 4.550 0.000 0.000 0.271 494 Y C 0.267 175.967 175.900 -0.334 0.000 1.113 494 Y CA -0.338 57.631 58.100 -0.218 0.000 1.240 494 Y CB 0.815 39.056 38.460 -0.365 0.000 1.268 494 Y HN -0.145 nan 8.280 nan 0.000 0.510 495 F N -0.237 119.803 119.950 0.151 0.000 2.432 495 F HA 0.599 5.126 4.527 0.000 0.000 0.329 495 F C -0.272 175.575 175.800 0.079 0.000 1.076 495 F CA -1.296 56.756 58.000 0.086 0.000 1.018 495 F CB 1.475 40.507 39.000 0.053 0.000 1.201 495 F HN -0.546 nan 8.300 nan 0.000 0.489 496 V N 4.011 124.081 119.914 0.260 0.000 2.445 496 V HA 0.208 4.328 4.120 0.000 0.000 0.283 496 V C -0.814 175.398 176.094 0.198 0.000 1.014 496 V CA -0.683 61.732 62.300 0.193 0.000 0.852 496 V CB 1.383 33.286 31.823 0.132 0.000 1.021 496 V HN 0.506 nan 8.190 nan 0.000 0.435 497 L N 5.026 126.366 121.223 0.196 0.000 2.410 497 L HA 0.642 4.982 4.340 0.000 0.000 0.273 497 L C 0.287 177.269 176.870 0.187 0.000 1.144 497 L CA 1.616 56.572 54.840 0.194 0.000 0.863 497 L CB 0.997 43.160 42.059 0.172 0.000 1.140 497 L HN 0.819 nan 8.230 nan 0.000 0.463 498 T N 3.388 118.058 114.554 0.193 0.000 2.681 498 T HA 0.798 5.148 4.350 0.000 0.000 0.296 498 T C -0.850 173.934 174.700 0.140 0.000 1.157 498 T CA -0.110 62.091 62.100 0.168 0.000 1.025 498 T CB 0.985 69.971 68.868 0.196 0.000 1.441 498 T HN 0.900 nan 8.240 nan 0.000 0.504 499 A N 0.301 123.165 122.820 0.073 0.000 2.332 499 A HA 0.702 5.022 4.320 0.000 0.000 0.258 499 A C 1.281 178.855 177.584 -0.018 0.000 1.087 499 A CA 0.327 52.385 52.037 0.035 0.000 0.802 499 A CB -0.032 18.954 19.000 -0.023 0.000 1.042 499 A HN 1.221 nan 8.150 nan 0.000 0.489 500 A N -0.110 122.698 122.820 -0.019 0.000 2.195 500 A HA 0.094 4.414 4.320 0.000 0.000 0.210 500 A C 1.489 179.075 177.584 0.004 0.000 1.165 500 A CA 0.915 52.889 52.037 -0.105 0.000 0.806 500 A CB -0.578 18.097 19.000 -0.542 0.000 0.847 500 A HN 0.996 nan 8.150 nan 0.000 0.482 501 H N -2.407 116.725 119.070 0.102 0.000 2.548 501 H HA 0.048 4.604 4.556 0.000 0.000 0.265 501 H C 1.428 176.807 175.328 0.084 0.000 0.969 501 H CA 0.957 57.146 56.048 0.234 0.000 1.155 501 H CB -0.687 29.309 29.762 0.390 0.000 1.394 501 H HN 0.353 nan 8.280 nan 0.000 0.570 502 c N 0.878 119.142 118.600 -0.560 0.000 2.432 502 c HA 0.105 4.675 4.570 0.000 0.000 0.282 502 c C 0.540 174.203 174.090 -0.712 0.000 1.388 502 c CA 0.234 56.111 56.329 -0.755 0.000 1.777 502 c CB -1.325 40.500 42.510 -1.141 0.000 1.882 502 c HN 0.326 nan 8.230 nan 0.000 0.520 503 F N -1.114 118.924 119.950 0.147 0.000 2.631 503 F HA 0.583 5.111 4.527 0.000 0.000 0.328 503 F C 0.222 176.189 175.800 0.277 0.000 1.067 503 F CA -0.678 57.465 58.000 0.238 0.000 0.969 503 F CB 0.789 39.981 39.000 0.320 0.000 1.332 503 F HN -0.328 nan 8.300 nan 0.000 0.490 504 T N -0.946 113.845 114.554 0.395 0.000 2.865 504 T HA 0.415 4.765 4.350 0.000 0.000 0.294 504 T C 0.465 175.225 174.700 0.101 0.000 1.119 504 T CA -0.534 61.669 62.100 0.172 0.000 1.007 504 T CB 1.590 70.528 68.868 0.118 0.000 1.225 504 T HN 0.336 nan 8.240 nan 0.000 0.515 505 V N 2.132 122.028 119.914 -0.030 0.000 2.720 505 V HA -0.054 4.066 4.120 0.000 0.000 0.256 505 V C 1.853 177.970 176.094 0.037 0.000 1.082 505 V CA 1.827 64.110 62.300 -0.028 0.000 1.101 505 V CB -0.550 31.235 31.823 -0.064 0.000 0.693 505 V HN 0.750 nan 8.190 nan 0.000 0.479 506 D N -0.624 119.805 120.400 0.049 0.000 2.162 506 D HA -0.026 4.614 4.640 0.000 0.000 0.203 506 D C 0.655 176.994 176.300 0.065 0.000 0.967 506 D CA 0.571 54.603 54.000 0.054 0.000 0.840 506 D CB -0.273 40.556 40.800 0.048 0.000 0.972 506 D HN 0.391 nan 8.370 nan 0.000 0.482 507 D N 2.183 122.637 120.400 0.090 0.000 2.412 507 D HA 0.027 4.668 4.640 0.000 0.000 0.257 507 D C 0.666 176.990 176.300 0.040 0.000 1.217 507 D CA 0.444 54.490 54.000 0.077 0.000 0.897 507 D CB 0.774 41.672 40.800 0.164 0.000 1.132 507 D HN -0.106 nan 8.370 nan 0.000 0.493 508 K N 2.289 122.651 120.400 -0.063 0.000 2.090 508 K HA 0.133 4.453 4.320 0.000 0.000 0.250 508 K C 1.114 177.629 176.600 -0.142 0.000 1.004 508 K CA -0.511 55.731 56.287 -0.075 0.000 0.919 508 K CB 0.831 33.322 32.500 -0.016 0.000 1.045 508 K HN 0.170 nan 8.250 nan 0.000 0.471 509 E N 0.387 120.568 120.200 -0.032 0.000 2.153 509 E HA -0.198 4.152 4.350 0.000 0.000 0.194 509 E C 1.607 178.196 176.600 -0.019 0.000 0.988 509 E CA 1.627 58.014 56.400 -0.021 0.000 0.811 509 E CB -0.438 29.274 29.700 0.020 0.000 0.746 509 E HN 0.650 nan 8.360 nan 0.000 0.466 510 H N -1.294 117.792 119.070 0.027 0.000 2.491 510 H HA 0.093 4.650 4.556 0.000 0.000 0.290 510 H C 1.354 176.706 175.328 0.039 0.000 1.050 510 H CA 1.296 57.360 56.048 0.026 0.000 1.309 510 H CB -0.166 29.610 29.762 0.023 0.000 1.392 510 H HN 0.095 nan 8.280 nan 0.000 0.554 511 S N 0.218 115.673 115.700 -0.409 0.000 2.572 511 S HA 0.269 4.739 4.470 0.000 0.000 0.228 511 S C 0.226 174.804 174.600 -0.038 0.000 0.963 511 S CA -0.637 57.444 58.200 -0.198 0.000 0.939 511 S CB -0.332 62.702 63.200 -0.277 0.000 0.804 511 S HN 0.348 nan 8.310 nan 0.000 0.480 512 I N 2.177 122.740 120.570 -0.010 0.000 2.439 512 I HA 0.450 4.620 4.170 0.000 0.000 0.283 512 I C -0.851 175.300 176.117 0.055 0.000 1.023 512 I CA -0.637 60.704 61.300 0.069 0.000 1.100 512 I CB 1.548 39.594 38.000 0.077 0.000 1.238 512 I HN -0.088 nan 8.210 nan 0.000 0.445 513 K N 5.940 126.382 120.400 0.070 0.000 2.292 513 K HA 0.660 4.981 4.320 0.000 0.000 0.257 513 K C -0.816 175.818 176.600 0.056 0.000 0.940 513 K CA -0.754 55.560 56.287 0.046 0.000 0.811 513 K CB 2.939 35.458 32.500 0.032 0.000 1.120 513 K HN 0.234 nan 8.250 nan 0.000 0.428 514 V N 0.980 120.915 119.914 0.034 0.000 2.555 514 V HA 0.475 4.595 4.120 0.000 0.000 0.302 514 V C -0.128 175.967 176.094 0.002 0.000 1.038 514 V CA -0.747 61.575 62.300 0.036 0.000 0.887 514 V CB 1.890 33.735 31.823 0.037 0.000 0.991 514 V HN 0.772 nan 8.190 nan 0.000 0.434 515 S N 3.257 118.956 115.700 -0.002 0.000 2.557 515 S HA 0.845 5.315 4.470 0.000 0.000 0.291 515 S C -0.845 173.714 174.600 -0.069 0.000 1.116 515 S CA -0.452 57.720 58.200 -0.047 0.000 0.992 515 S CB 1.502 64.670 63.200 -0.054 0.000 1.028 515 S HN 1.076 nan 8.310 nan 0.000 0.484 516 V N 1.637 121.477 119.914 -0.124 0.000 3.141 516 V HA 0.957 5.077 4.120 0.000 0.000 0.312 516 V C 1.051 176.951 176.094 -0.323 0.000 1.157 516 V CA -0.094 62.111 62.300 -0.158 0.000 1.041 516 V CB 0.686 32.470 31.823 -0.065 0.000 1.071 516 V HN 1.655 nan 8.190 nan 0.000 0.441 517 G N 0.046 108.596 108.800 -0.418 0.000 2.175 517 G HA2 0.038 3.998 3.960 0.000 0.000 0.265 517 G HA3 0.038 3.998 3.960 0.000 0.000 0.265 517 G C 1.685 176.075 174.900 -0.849 0.000 0.979 517 G CA 1.205 46.007 45.100 -0.498 0.000 0.663 517 G HN 2.906 nan 8.290 nan 0.000 0.533 518 G N -0.992 107.011 108.800 -1.327 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 0.173 174.824 174.900 -0.416 0.000 0.976 518 G CA 0.971 45.455 45.100 -1.027 0.000 0.655 518 G HN 1.078 nan 8.290 nan 0.000 0.533 519 E N 0.058 120.056 120.200 -0.338 0.000 2.452 519 E HA 0.169 4.519 4.350 0.000 0.000 0.261 519 E C 1.378 177.892 176.600 -0.143 0.000 0.987 519 E CA 0.385 56.669 56.400 -0.193 0.000 0.926 519 E CB 0.731 30.335 29.700 -0.161 0.000 0.934 519 E HN 0.389 nan 8.360 nan 0.000 0.452 520 K N 3.777 124.118 120.400 -0.099 0.000 2.097 520 K HA -0.137 4.184 4.320 0.000 0.000 0.205 520 K C 0.923 177.487 176.600 -0.060 0.000 1.050 520 K CA 0.800 57.046 56.287 -0.069 0.000 0.938 520 K CB 0.135 32.605 32.500 -0.050 0.000 0.718 520 K HN 0.445 nan 8.250 nan 0.000 0.442 521 R N 0.785 121.248 120.500 -0.062 0.000 2.726 521 R HA 0.086 4.427 4.340 0.000 0.000 0.272 521 R C -0.949 175.320 176.300 -0.052 0.000 1.097 521 R CA -0.241 55.828 56.100 -0.051 0.000 1.198 521 R CB 0.339 30.609 30.300 -0.050 0.000 1.114 521 R HN -0.119 nan 8.270 nan 0.000 0.550 522 D N 1.010 121.387 120.400 -0.038 0.000 2.256 522 D HA 0.322 4.962 4.640 0.000 0.000 0.246 522 D C -0.378 175.902 176.300 -0.032 0.000 1.042 522 D CA -0.514 53.468 54.000 -0.031 0.000 0.841 522 D CB 1.591 42.383 40.800 -0.013 0.000 1.223 522 D HN 0.368 nan 8.370 nan 0.000 0.470 523 L N 1.232 122.433 121.223 -0.036 0.000 2.350 523 L HA 0.289 4.630 4.340 0.000 0.000 0.275 523 L C 0.835 177.687 176.870 -0.031 0.000 1.099 523 L CA -0.545 54.268 54.840 -0.044 0.000 0.808 523 L CB 0.694 42.717 42.059 -0.060 0.000 1.149 523 L HN 0.147 nan 8.230 nan 0.000 0.442 524 E N 3.436 123.616 120.200 -0.034 0.000 2.229 524 E HA 0.303 4.653 4.350 0.000 0.000 0.283 524 E C -0.399 176.180 176.600 -0.035 0.000 1.030 524 E CA -0.402 55.985 56.400 -0.022 0.000 0.836 524 E CB 1.579 31.271 29.700 -0.014 0.000 1.068 524 E HN 0.426 nan 8.360 nan 0.000 0.401 525 I N -0.499 120.052 120.570 -0.032 0.000 2.677 525 I HA 0.247 4.417 4.170 0.000 0.000 0.305 525 I C 0.826 176.917 176.117 -0.044 0.000 0.988 525 I CA -0.378 60.891 61.300 -0.052 0.000 1.260 525 I CB 1.490 39.448 38.000 -0.071 0.000 1.410 525 I HN 0.611 nan 8.210 nan 0.000 0.523 526 E N 2.847 123.012 120.200 -0.058 0.000 2.206 526 E HA 0.215 4.565 4.350 0.000 0.000 0.195 526 E C -0.288 176.290 176.600 -0.037 0.000 0.935 526 E CA 0.272 56.647 56.400 -0.041 0.000 0.875 526 E CB 1.139 30.810 29.700 -0.049 0.000 0.841 526 E HN 0.554 nan 8.360 nan 0.000 0.477 527 V N 0.515 120.394 119.914 -0.058 0.000 3.108 527 V HA 0.264 4.384 4.120 0.000 0.000 0.287 527 V C -1.796 174.246 176.094 -0.088 0.000 1.436 527 V CA -0.856 61.417 62.300 -0.044 0.000 1.001 527 V CB 2.123 33.946 31.823 -0.000 0.000 1.141 527 V HN -0.076 nan 8.190 nan 0.000 0.443 528 V N 6.826 126.662 119.914 -0.129 0.000 2.350 528 V HA 0.484 4.604 4.120 0.000 0.000 0.276 528 V C -0.017 175.970 176.094 -0.178 0.000 1.028 528 V CA -0.429 61.696 62.300 -0.291 0.000 0.860 528 V CB 1.357 32.808 31.823 -0.620 0.000 0.990 528 V HN 0.667 nan 8.190 nan 0.000 0.453 529 L N 6.156 127.328 121.223 -0.084 0.000 2.259 529 L HA 0.489 4.830 4.340 0.000 0.000 0.288 529 L C -0.423 176.535 176.870 0.147 0.000 1.051 529 L CA -0.055 54.870 54.840 0.142 0.000 0.824 529 L CB 0.326 42.541 42.059 0.260 0.000 1.206 529 L HN 0.442 nan 8.230 nan 0.000 0.429 530 F N 1.478 121.538 119.950 0.183 0.000 2.370 530 F HA 0.241 4.768 4.527 0.000 0.000 0.324 530 F C 1.097 176.853 175.800 -0.072 0.000 1.116 530 F CA -0.335 57.692 58.000 0.045 0.000 1.123 530 F CB 0.414 39.430 39.000 0.028 0.000 1.238 530 F HN 0.401 nan 8.300 nan 0.000 0.536 531 H N 3.782 122.650 119.070 -0.336 0.000 2.764 531 H HA 0.092 4.648 4.556 0.000 0.000 0.341 531 H C -1.788 173.411 175.328 -0.216 0.000 1.072 531 H CA -1.491 54.112 56.048 -0.742 0.000 1.444 531 H CB 1.527 30.802 29.762 -0.811 0.000 1.458 531 H HN 0.279 nan 8.280 nan 0.000 0.572 532 P HA -0.136 nan 4.420 nan 0.000 0.217 532 P C 0.272 177.531 177.300 -0.068 0.000 1.148 532 P CA 1.386 64.357 63.100 -0.215 0.000 0.828 532 P CB 0.353 31.875 31.700 -0.297 0.000 0.783 533 N N -2.880 115.845 118.700 0.042 0.000 2.270 533 N HA 0.003 4.743 4.740 0.000 0.000 0.198 533 N C -0.157 175.470 175.510 0.196 0.000 1.117 533 N CA -0.159 52.916 53.050 0.043 0.000 0.845 533 N CB -0.665 37.631 38.487 -0.319 0.000 0.980 533 N HN 0.207 nan 8.380 nan 0.000 0.486 534 Y N 1.773 122.156 120.300 0.138 0.000 2.584 534 Y HA 0.305 4.855 4.550 0.000 0.000 0.351 534 Y C -0.378 175.579 175.900 0.095 0.000 1.030 534 Y CA -0.558 57.629 58.100 0.145 0.000 1.332 534 Y CB -0.038 38.519 38.460 0.162 0.000 1.148 534 Y HN -0.084 nan 8.280 nan 0.000 0.528 535 N N 7.158 125.650 118.700 -0.347 0.000 2.609 535 N HA 0.105 4.845 4.740 0.000 0.000 0.268 535 N C 0.022 175.321 175.510 -0.352 0.000 1.106 535 N CA -0.329 52.522 53.050 -0.330 0.000 0.823 535 N CB 0.441 38.858 38.487 -0.117 0.000 1.263 535 N HN 0.918 nan 8.380 nan 0.000 0.533 536 I N 1.815 122.032 120.570 -0.588 0.000 2.830 536 I HA 0.002 4.172 4.170 0.000 0.000 0.263 536 I C 0.040 176.012 176.117 -0.241 0.000 1.230 536 I CA 0.744 61.792 61.300 -0.420 0.000 1.480 536 I CB 0.304 38.053 38.000 -0.418 0.000 1.095 536 I HN 0.304 nan 8.210 nan 0.000 0.455 537 N N 0.534 119.106 118.700 -0.214 0.000 2.214 537 N HA 0.164 4.904 4.740 0.000 0.000 0.214 537 N C 1.099 176.492 175.510 -0.196 0.000 1.132 537 N CA 0.280 53.221 53.050 -0.181 0.000 0.856 537 N CB 0.727 39.127 38.487 -0.145 0.000 1.020 537 N HN 0.246 nan 8.380 nan 0.000 0.509 538 G N -0.082 108.578 108.800 -0.234 0.000 3.279 538 G HA2 -0.030 3.930 3.960 0.000 0.000 0.230 538 G HA3 -0.030 3.930 3.960 0.000 0.000 0.230 538 G C 1.008 175.658 174.900 -0.418 0.000 1.230 538 G CA 0.164 45.090 45.100 -0.290 0.000 0.891 538 G HN -0.033 nan 8.290 nan 0.000 0.518 539 K N -0.207 119.976 120.400 -0.361 0.000 2.586 539 K HA 0.144 4.464 4.320 0.000 0.000 0.198 539 K C 1.439 177.899 176.600 -0.234 0.000 1.170 539 K CA -0.218 55.856 56.287 -0.354 0.000 1.069 539 K CB 0.487 32.725 32.500 -0.436 0.000 0.944 539 K HN 0.204 nan 8.250 nan 0.000 0.572 540 K N 1.015 121.297 120.400 -0.196 0.000 2.211 540 K HA -0.136 4.184 4.320 0.000 0.000 0.203 540 K C 1.686 178.206 176.600 -0.132 0.000 1.050 540 K CA 1.088 57.282 56.287 -0.155 0.000 0.945 540 K CB 0.310 32.731 32.500 -0.132 0.000 0.732 540 K HN 0.243 nan 8.250 nan 0.000 0.451 541 E N 1.029 121.149 120.200 -0.132 0.000 2.072 541 E HA -0.116 4.234 4.350 0.000 0.000 0.190 541 E C 1.682 178.219 176.600 -0.105 0.000 0.982 541 E CA 0.804 57.139 56.400 -0.108 0.000 0.803 541 E CB 0.028 29.667 29.700 -0.102 0.000 0.755 541 E HN 0.276 nan 8.360 nan 0.000 0.453 542 A N -0.010 122.735 122.820 -0.124 0.000 2.235 542 A HA 0.188 4.508 4.320 0.000 0.000 0.208 542 A C 1.615 179.134 177.584 -0.108 0.000 1.172 542 A CA 1.005 52.976 52.037 -0.109 0.000 0.786 542 A CB -0.401 18.527 19.000 -0.120 0.000 0.804 542 A HN 0.496 nan 8.150 nan 0.000 0.479 543 G N -1.018 107.708 108.800 -0.123 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 -0.035 174.763 174.900 -0.169 0.000 0.990 543 G CA 0.115 45.140 45.100 -0.125 0.000 0.671 543 G HN 0.545 nan 8.290 nan 0.000 0.521 544 I N 0.539 120.988 120.570 -0.201 0.000 2.337 544 I HA 0.255 4.425 4.170 0.000 0.000 0.285 544 I C -1.111 174.833 176.117 -0.288 0.000 1.041 544 I CA -2.508 58.620 61.300 -0.287 0.000 1.199 544 I CB 1.707 39.559 38.000 -0.247 0.000 1.370 544 I HN -0.157 nan 8.210 nan 0.000 0.470 545 P HA -0.114 nan 4.420 nan 0.000 0.214 545 P C 0.007 177.148 177.300 -0.265 0.000 1.163 545 P CA 1.433 64.385 63.100 -0.246 0.000 0.883 545 P CB 0.232 31.800 31.700 -0.220 0.000 0.788 546 E N -0.955 119.036 120.200 -0.349 0.000 2.204 546 E HA 0.400 4.750 4.350 0.000 0.000 0.276 546 E C -0.944 175.501 176.600 -0.259 0.000 0.974 546 E CA -0.635 55.546 56.400 -0.366 0.000 0.815 546 E CB 1.280 30.822 29.700 -0.264 0.000 1.119 546 E HN -0.016 nan 8.360 nan 0.000 0.393 547 F N 2.215 121.844 119.950 -0.534 0.000 3.094 547 F HA 0.205 4.732 4.527 0.000 0.000 0.385 547 F C -0.872 174.756 175.800 -0.287 0.000 1.231 547 F CA -0.554 57.254 58.000 -0.319 0.000 1.207 547 F CB 0.222 39.081 39.000 -0.235 0.000 1.703 547 F HN 0.343 nan 8.300 nan 0.000 0.610 548 Y N 1.097 121.186 120.300 -0.352 0.000 2.506 548 Y HA 0.092 4.642 4.550 0.000 0.000 0.333 548 Y C 0.922 176.856 175.900 0.057 0.000 1.177 548 Y CA -0.246 57.816 58.100 -0.063 0.000 1.292 548 Y CB -0.663 37.755 38.460 -0.070 0.000 1.124 548 Y HN 0.379 nan 8.280 nan 0.000 0.507 549 D N -0.482 119.741 120.400 -0.294 0.000 2.424 549 D HA -0.105 4.535 4.640 0.000 0.000 0.244 549 D C -0.150 176.124 176.300 -0.043 0.000 1.134 549 D CA 0.258 54.051 54.000 -0.345 0.000 0.881 549 D CB 0.246 40.698 40.800 -0.580 0.000 1.191 549 D HN 0.255 nan 8.370 nan 0.000 0.445 550 Y N 0.782 120.935 120.300 -0.245 0.000 3.108 550 Y HA -0.258 4.292 4.550 0.000 0.000 0.208 550 Y C 0.403 176.273 175.900 -0.051 0.000 1.245 550 Y CA 0.715 58.638 58.100 -0.295 0.000 1.171 550 Y CB -1.526 36.678 38.460 -0.426 0.000 1.331 550 Y HN 0.420 nan 8.280 nan 0.000 0.534 551 D N 1.229 121.714 120.400 0.140 0.000 2.801 551 D HA 0.377 5.017 4.640 0.000 0.000 0.232 551 D C -0.251 176.108 176.300 0.099 0.000 1.128 551 D CA 0.218 54.385 54.000 0.278 0.000 1.003 551 D CB -0.407 40.686 40.800 0.489 0.000 1.110 551 D HN 0.193 nan 8.370 nan 0.000 0.477 552 V N -1.223 118.664 119.914 -0.044 0.000 2.962 552 V HA 1.018 5.138 4.120 0.000 0.000 0.313 552 V C -0.594 175.411 176.094 -0.149 0.000 1.099 552 V CA -1.096 61.172 62.300 -0.053 0.000 0.971 552 V CB 1.505 33.307 31.823 -0.033 0.000 1.028 552 V HN 0.249 nan 8.190 nan 0.000 0.430 553 A N 3.247 126.095 122.820 0.046 0.000 2.604 553 A HA 0.878 5.198 4.320 0.000 0.000 0.295 553 A C -1.527 176.230 177.584 0.289 0.000 1.067 553 A CA -0.674 51.414 52.037 0.085 0.000 0.683 553 A CB 1.716 20.549 19.000 -0.277 0.000 1.281 553 A HN 1.040 nan 8.150 nan 0.000 0.407 554 L N 1.359 122.779 121.223 0.328 0.000 2.334 554 L HA 0.626 4.966 4.340 0.000 0.000 0.273 554 L C -0.806 176.134 176.870 0.118 0.000 1.013 554 L CA -0.569 54.413 54.840 0.236 0.000 0.816 554 L CB 1.919 44.073 42.059 0.158 0.000 1.278 554 L HN 0.620 nan 8.230 nan 0.000 0.431 555 I N 2.962 123.612 120.570 0.133 0.000 2.405 555 I HA 0.238 4.408 4.170 0.000 0.000 0.280 555 I C -0.156 175.944 176.117 -0.028 0.000 1.027 555 I CA -0.511 60.785 61.300 -0.005 0.000 1.161 555 I CB 1.461 39.430 38.000 -0.052 0.000 1.300 555 I HN 0.494 nan 8.210 nan 0.000 0.463 556 K N 7.573 127.890 120.400 -0.137 0.000 2.316 556 K HA 0.418 4.738 4.320 0.000 0.000 0.289 556 K C -0.421 176.039 176.600 -0.234 0.000 1.070 556 K CA -0.434 55.583 56.287 -0.451 0.000 0.928 556 K CB 0.623 32.819 32.500 -0.507 0.000 1.039 556 K HN 0.555 nan 8.250 nan 0.000 0.480 557 L N 3.849 124.952 121.223 -0.199 0.000 2.472 557 L HA 0.110 4.451 4.340 0.000 0.000 0.260 557 L C 1.583 178.416 176.870 -0.061 0.000 1.209 557 L CA -0.022 54.743 54.840 -0.125 0.000 0.817 557 L CB 0.481 42.439 42.059 -0.168 0.000 1.106 557 L HN 0.713 nan 8.230 nan 0.000 0.479 558 K N 0.331 120.695 120.400 -0.060 0.000 2.314 558 K HA 0.064 4.384 4.320 0.000 0.000 0.198 558 K C -0.073 176.513 176.600 -0.023 0.000 1.045 558 K CA 0.402 56.678 56.287 -0.018 0.000 0.988 558 K CB 0.335 32.820 32.500 -0.025 0.000 0.783 558 K HN 0.543 nan 8.250 nan 0.000 0.484 559 N N 0.990 119.613 118.700 -0.128 0.000 2.272 559 N HA 0.114 4.855 4.740 0.000 0.000 0.305 559 N C -1.527 173.686 175.510 -0.495 0.000 1.103 559 N CA -0.559 52.369 53.050 -0.204 0.000 0.791 559 N CB 1.855 40.251 38.487 -0.152 0.000 1.356 559 N HN -0.038 nan 8.380 nan 0.000 0.486 560 K N 1.458 121.513 120.400 -0.574 0.000 2.368 560 K HA 0.265 4.586 4.320 0.000 0.000 0.282 560 K C -0.469 175.836 176.600 -0.490 0.000 1.035 560 K CA -0.279 55.516 56.287 -0.821 0.000 0.973 560 K CB 0.445 32.661 32.500 -0.473 0.000 0.957 560 K HN 0.446 nan 8.250 nan 0.000 0.474 561 L N 4.417 125.336 121.223 -0.506 0.000 2.331 561 L HA 0.184 4.524 4.340 0.000 0.000 0.278 561 L C -0.048 176.561 176.870 -0.435 0.000 1.106 561 L CA -0.532 54.083 54.840 -0.375 0.000 0.824 561 L CB 0.827 42.712 42.059 -0.290 0.000 1.142 561 L HN 0.457 nan 8.230 nan 0.000 0.443 562 K N 3.516 123.751 120.400 -0.276 0.000 2.250 562 K HA 0.248 4.568 4.320 0.000 0.000 0.280 562 K C -0.936 175.599 176.600 -0.109 0.000 1.098 562 K CA -0.299 55.860 56.287 -0.214 0.000 0.916 562 K CB -0.053 32.378 32.500 -0.115 0.000 1.209 562 K HN 0.113 nan 8.250 nan 0.000 0.461 563 Y N 1.011 121.302 120.300 -0.015 0.000 2.721 563 Y HA 0.197 4.747 4.550 0.000 0.000 0.329 563 Y C 1.448 177.354 175.900 0.011 0.000 1.211 563 Y CA 0.322 58.424 58.100 0.003 0.000 1.512 563 Y CB -0.083 38.397 38.460 0.033 0.000 1.249 563 Y HN 0.672 nan 8.280 nan 0.000 0.549 564 G N 1.805 110.702 108.800 0.162 0.000 3.243 564 G HA2 0.241 4.201 3.960 0.000 0.000 0.248 564 G HA3 0.241 4.201 3.960 0.000 0.000 0.248 564 G C -0.024 174.914 174.900 0.063 0.000 1.267 564 G CA -0.693 44.460 45.100 0.088 0.000 0.906 564 G HN 0.505 nan 8.290 nan 0.000 0.592 565 Q N -0.741 119.068 119.800 0.014 0.000 2.472 565 Q HA 0.027 4.367 4.340 0.000 0.000 0.208 565 Q C 2.022 177.816 176.000 -0.344 0.000 0.958 565 Q CA 1.459 57.239 55.803 -0.038 0.000 0.932 565 Q CB 0.245 29.010 28.738 0.045 0.000 1.007 565 Q HN 0.609 nan 8.270 nan 0.000 0.508 566 T N -3.358 111.002 114.554 -0.324 0.000 2.959 566 T HA 0.304 4.654 4.350 0.000 0.000 0.254 566 T C 0.586 175.155 174.700 -0.219 0.000 1.003 566 T CA -0.225 61.629 62.100 -0.411 0.000 0.950 566 T CB 0.388 69.015 68.868 -0.401 0.000 1.090 566 T HN -0.026 nan 8.240 nan 0.000 0.503 567 I N 1.807 122.311 120.570 -0.110 0.000 2.420 567 I HA 0.569 4.740 4.170 0.000 0.000 0.282 567 I C -0.494 175.673 176.117 0.083 0.000 1.019 567 I CA -0.846 60.453 61.300 -0.002 0.000 1.130 567 I CB 1.570 39.592 38.000 0.037 0.000 1.262 567 I HN -0.009 nan 8.210 nan 0.000 0.454 568 R N 5.733 126.245 120.500 0.020 0.000 2.774 568 R HA 0.572 4.912 4.340 0.000 0.000 0.272 568 R C -2.816 173.462 176.300 -0.038 0.000 1.000 568 R CA -1.693 54.343 56.100 -0.106 0.000 0.906 568 R CB 2.802 33.040 30.300 -0.103 0.000 1.227 568 R HN 0.194 nan 8.270 nan 0.000 0.468 569 P HA 0.256 nan 4.420 nan 0.000 0.276 569 P C -0.952 176.342 177.300 -0.009 0.000 1.261 569 P CA -0.416 62.655 63.100 -0.049 0.000 0.800 569 P CB 0.764 32.377 31.700 -0.144 0.000 1.066 570 I N 0.203 120.758 120.570 -0.026 0.000 2.530 570 I HA 0.317 4.488 4.170 0.000 0.000 0.297 570 I C -0.654 175.370 176.117 -0.153 0.000 1.011 570 I CA -1.077 60.109 61.300 -0.189 0.000 1.107 570 I CB 1.129 38.878 38.000 -0.420 0.000 1.285 570 I HN 0.307 nan 8.210 nan 0.000 0.436 571 c N 6.990 125.487 118.600 -0.172 0.000 2.662 571 c HA 0.309 4.879 4.570 0.000 0.000 0.420 571 c C 0.303 174.306 174.090 -0.145 0.000 1.314 571 c CA -0.342 55.899 56.329 -0.146 0.000 1.963 571 c CB -0.613 41.818 42.510 -0.133 0.000 2.686 571 c HN 0.500 nan 8.230 nan 0.000 0.609 572 L N 4.370 125.499 121.223 -0.157 0.000 2.334 572 L HA 0.441 4.781 4.340 0.000 0.000 0.273 572 L C -2.175 174.577 176.870 -0.198 0.000 1.013 572 L CA -1.815 52.935 54.840 -0.150 0.000 0.816 572 L CB 1.380 43.383 42.059 -0.093 0.000 1.278 572 L HN 0.327 nan 8.230 nan 0.000 0.431 573 P HA -0.014 nan 4.420 nan 0.000 0.268 573 P C -0.268 176.901 177.300 -0.219 0.000 1.208 573 P CA -0.192 62.686 63.100 -0.370 0.000 0.777 573 P CB 0.298 31.326 31.700 -1.120 0.000 0.875 574 c N 0.540 119.088 118.600 -0.087 0.000 4.209 574 c HA -0.080 4.491 4.570 0.000 0.000 0.305 574 c C 0.601 174.647 174.090 -0.073 0.000 1.339 574 c CA 1.238 57.578 56.329 0.019 0.000 2.062 574 c CB -3.112 39.467 42.510 0.115 0.000 1.307 574 c HN 0.853 nan 8.230 nan 0.000 0.706 575 T N -4.058 110.385 114.554 -0.184 0.000 2.912 575 T HA 0.545 4.895 4.350 0.000 0.000 0.299 575 T C 0.724 175.326 174.700 -0.163 0.000 1.052 575 T CA -0.476 61.440 62.100 -0.307 0.000 0.996 575 T CB 1.519 70.067 68.868 -0.534 0.000 1.070 575 T HN 0.386 nan 8.240 nan 0.000 0.465 576 E N 1.838 121.960 120.200 -0.129 0.000 2.130 576 E HA -0.105 4.245 4.350 0.000 0.000 0.196 576 E C 2.203 178.756 176.600 -0.077 0.000 0.998 576 E CA 1.393 57.751 56.400 -0.071 0.000 0.806 576 E CB -0.498 29.175 29.700 -0.045 0.000 0.738 576 E HN 0.895 nan 8.360 nan 0.000 0.459 577 G N 0.480 109.213 108.800 -0.110 0.000 2.422 577 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 577 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 577 G C 1.622 176.465 174.900 -0.095 0.000 1.146 577 G CA 1.218 46.258 45.100 -0.099 0.000 0.769 577 G HN 0.185 nan 8.290 nan 0.000 0.547 578 T N 0.781 115.269 114.554 -0.111 0.000 2.857 578 T HA -0.055 4.295 4.350 0.000 0.000 0.266 578 T C 2.676 177.340 174.700 -0.060 0.000 1.048 578 T CA 1.572 63.618 62.100 -0.091 0.000 1.139 578 T CB -0.355 68.453 68.868 -0.100 0.000 0.874 578 T HN 0.272 nan 8.240 nan 0.000 0.455 579 T N 2.076 116.601 114.554 -0.048 0.000 2.684 579 T HA -0.117 4.233 4.350 0.000 0.000 0.267 579 T C 2.122 176.804 174.700 -0.030 0.000 1.036 579 T CA 1.122 63.206 62.100 -0.026 0.000 1.148 579 T CB -0.180 68.679 68.868 -0.014 0.000 0.863 579 T HN 0.370 nan 8.240 nan 0.000 0.436 580 R N 0.822 121.298 120.500 -0.039 0.000 2.096 580 R HA 0.047 4.387 4.340 0.000 0.000 0.235 580 R C 2.818 179.087 176.300 -0.051 0.000 1.127 580 R CA 1.153 57.228 56.100 -0.042 0.000 0.968 580 R CB -0.450 29.819 30.300 -0.052 0.000 0.861 580 R HN 0.375 nan 8.270 nan 0.000 0.440 581 A N 1.204 123.987 122.820 -0.061 0.000 1.933 581 A HA -0.104 4.216 4.320 0.000 0.000 0.218 581 A C 2.009 179.549 177.584 -0.074 0.000 1.175 581 A CA 1.146 53.139 52.037 -0.073 0.000 0.628 581 A CB -0.381 18.567 19.000 -0.085 0.000 0.814 581 A HN 0.196 nan 8.150 nan 0.000 0.444 582 L N -2.171 119.017 121.223 -0.059 0.000 2.599 582 L HA 0.108 4.448 4.340 0.000 0.000 0.230 582 L C 0.445 177.295 176.870 -0.034 0.000 1.141 582 L CA 0.071 54.880 54.840 -0.050 0.000 0.877 582 L CB -0.220 41.818 42.059 -0.035 0.000 1.009 582 L HN 0.369 nan 8.230 nan 0.000 0.447 583 R N 0.220 120.702 120.500 -0.030 0.000 3.336 583 R HA -0.144 4.197 4.340 0.000 0.000 0.260 583 R C -0.731 175.567 176.300 -0.002 0.000 1.032 583 R CA 0.336 56.427 56.100 -0.015 0.000 0.693 583 R CB -2.235 28.058 30.300 -0.011 0.000 1.134 583 R HN 0.278 nan 8.270 nan 0.000 0.433 584 L N -0.010 121.212 121.223 -0.002 0.000 2.352 584 L HA 0.585 4.925 4.340 0.000 0.000 0.269 584 L C -1.764 175.115 176.870 0.016 0.000 1.034 584 L CA -2.657 52.188 54.840 0.008 0.000 0.806 584 L CB 0.947 43.010 42.059 0.006 0.000 1.244 584 L HN -0.187 nan 8.230 nan 0.000 0.447 585 P HA 0.052 nan 4.420 nan 0.000 0.266 585 P C -2.144 175.172 177.300 0.027 0.000 1.195 585 P CA -0.875 62.244 63.100 0.032 0.000 0.768 585 P CB 0.077 31.798 31.700 0.035 0.000 0.838 586 P HA -0.154 nan 4.420 nan 0.000 0.218 586 P C 0.969 178.284 177.300 0.026 0.000 1.146 586 P CA 1.628 64.743 63.100 0.025 0.000 0.813 586 P CB -0.527 31.190 31.700 0.029 0.000 0.778 587 T N -5.001 109.570 114.554 0.029 0.000 3.439 587 T HA 0.053 4.404 4.350 0.000 0.000 0.251 587 T C 0.512 175.231 174.700 0.032 0.000 1.108 587 T CA -0.013 62.105 62.100 0.030 0.000 0.982 587 T CB -1.410 67.476 68.868 0.031 0.000 1.024 587 T HN -0.064 nan 8.240 nan 0.000 0.573 588 T N 4.049 118.621 114.554 0.030 0.000 2.779 588 T HA 0.352 4.702 4.350 0.000 0.000 0.296 588 T C 0.863 175.587 174.700 0.041 0.000 0.938 588 T CA -0.298 61.822 62.100 0.032 0.000 1.119 588 T CB 0.850 69.734 68.868 0.028 0.000 0.891 588 T HN 0.665 nan 8.240 nan 0.000 0.526 589 T N 0.030 114.611 114.554 0.045 0.000 2.849 589 T HA 0.094 4.444 4.350 0.000 0.000 0.284 589 T C 1.852 176.597 174.700 0.075 0.000 1.004 589 T CA -0.845 61.289 62.100 0.056 0.000 1.021 589 T CB 0.651 69.550 68.868 0.052 0.000 1.013 589 T HN 0.715 nan 8.240 nan 0.000 0.527 590 c N 1.075 119.733 118.600 0.096 0.000 2.413 590 c HA -0.084 4.486 4.570 0.000 0.000 0.276 590 c C 2.812 176.990 174.090 0.147 0.000 1.248 590 c CA 1.719 58.135 56.329 0.145 0.000 1.742 590 c CB -1.609 40.997 42.510 0.160 0.000 2.017 590 c HN 1.081 nan 8.230 nan 0.000 0.481 591 Q N 0.638 120.494 119.800 0.094 0.000 2.135 591 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 591 Q C 2.177 178.185 176.000 0.013 0.000 0.981 591 Q CA 2.062 57.894 55.803 0.049 0.000 0.856 591 Q CB -0.519 28.243 28.738 0.039 0.000 0.902 591 Q HN 0.800 nan 8.270 nan 0.000 0.425 592 Q N -0.668 119.149 119.800 0.028 0.000 2.167 592 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 592 Q C 2.186 178.190 176.000 0.006 0.000 0.970 592 Q CA 1.321 57.130 55.803 0.010 0.000 0.855 592 Q CB -0.044 28.706 28.738 0.019 0.000 0.911 592 Q HN 0.540 nan 8.270 nan 0.000 0.438 593 Q N 0.628 120.459 119.800 0.053 0.000 2.119 593 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 593 Q C 1.963 177.969 176.000 0.010 0.000 0.972 593 Q CA 0.987 56.844 55.803 0.089 0.000 0.847 593 Q CB -0.017 28.841 28.738 0.201 0.000 0.903 593 Q HN 0.211 nan 8.270 nan 0.000 0.433 594 K N 1.042 121.346 120.400 -0.160 0.000 2.097 594 K HA -0.155 4.165 4.320 0.000 0.000 0.205 594 K C 1.566 177.953 176.600 -0.354 0.000 1.050 594 K CA 1.121 57.011 56.287 -0.661 0.000 0.938 594 K CB 0.180 32.191 32.500 -0.815 0.000 0.718 594 K HN 0.180 nan 8.250 nan 0.000 0.442 595 E N 0.052 120.141 120.200 -0.185 0.000 2.204 595 E HA -0.204 4.146 4.350 0.000 0.000 0.194 595 E C 1.724 178.267 176.600 -0.095 0.000 0.989 595 E CA 0.983 57.311 56.400 -0.121 0.000 0.824 595 E CB 0.140 29.796 29.700 -0.074 0.000 0.756 595 E HN 0.318 nan 8.360 nan 0.000 0.477 596 E N 1.194 121.346 120.200 -0.080 0.000 2.030 596 E HA -0.082 4.268 4.350 0.000 0.000 0.189 596 E C 1.951 178.516 176.600 -0.058 0.000 0.974 596 E CA 0.805 57.173 56.400 -0.053 0.000 0.807 596 E CB -0.179 29.505 29.700 -0.026 0.000 0.771 596 E HN 0.131 nan 8.360 nan 0.000 0.451 597 L N -0.123 121.070 121.223 -0.050 0.000 2.027 597 L HA 0.007 4.348 4.340 0.000 0.000 0.206 597 L C 0.893 177.723 176.870 -0.066 0.000 1.074 597 L CA 0.739 55.564 54.840 -0.025 0.000 0.745 597 L CB -0.163 41.953 42.059 0.096 0.000 0.898 597 L HN 0.139 nan 8.230 nan 0.000 0.433 598 L N 1.549 122.687 121.223 -0.141 0.000 2.599 598 L HA 0.335 4.676 4.340 0.000 0.000 0.241 598 L C -2.224 174.572 176.870 -0.123 0.000 1.207 598 L CA -1.646 53.114 54.840 -0.133 0.000 0.987 598 L CB 0.448 42.400 42.059 -0.179 0.000 1.318 598 L HN -0.061 nan 8.230 nan 0.000 0.458 599 P HA 0.077 nan 4.420 nan 0.000 0.275 599 P C -0.106 177.163 177.300 -0.051 0.000 1.266 599 P CA -0.484 62.575 63.100 -0.068 0.000 0.793 599 P CB 1.168 32.836 31.700 -0.054 0.000 1.074 600 A N 1.102 123.899 122.820 -0.039 0.000 3.037 600 A HA 0.262 4.582 4.320 0.000 0.000 0.272 600 A C 0.689 178.263 177.584 -0.018 0.000 1.723 600 A CA 0.117 52.138 52.037 -0.026 0.000 1.413 600 A CB -1.263 17.725 19.000 -0.020 0.000 1.112 600 A HN 0.603 nan 8.150 nan 0.000 0.606 601 Q N -0.890 118.902 119.800 -0.014 0.000 2.819 601 Q HA 0.282 4.623 4.340 0.000 0.000 0.335 601 Q C -1.868 174.140 176.000 0.012 0.000 0.779 601 Q CA -1.045 54.756 55.803 -0.002 0.000 0.848 601 Q CB 0.380 29.116 28.738 -0.002 0.000 1.332 601 Q HN 0.109 nan 8.270 nan 0.000 0.505 602 D N 1.603 122.025 120.400 0.036 0.000 2.453 602 D HA 0.353 4.993 4.640 0.000 0.000 0.223 602 D C -0.439 175.928 176.300 0.113 0.000 1.183 602 D CA 0.068 54.123 54.000 0.091 0.000 0.933 602 D CB -0.027 40.840 40.800 0.111 0.000 1.038 602 D HN 0.321 nan 8.370 nan 0.000 0.513 603 I N 1.316 121.912 120.570 0.044 0.000 2.471 603 I HA 0.029 4.199 4.170 0.000 0.000 0.286 603 I C 1.094 177.144 176.117 -0.111 0.000 1.079 603 I CA -0.246 61.032 61.300 -0.036 0.000 1.398 603 I CB 0.577 38.547 38.000 -0.051 0.000 1.403 603 I HN -0.080 nan 8.210 nan 0.000 0.530 604 K N 5.938 126.186 120.400 -0.253 0.000 2.312 604 K HA 0.603 4.924 4.320 0.000 0.000 0.287 604 K C -0.462 175.938 176.600 -0.333 0.000 1.062 604 K CA -0.125 55.846 56.287 -0.528 0.000 0.934 604 K CB 0.683 32.823 32.500 -0.600 0.000 1.027 604 K HN 0.824 nan 8.250 nan 0.000 0.478 605 A N 3.601 126.234 122.820 -0.312 0.000 2.539 605 A HA 0.829 5.149 4.320 0.000 0.000 0.272 605 A C -1.585 175.926 177.584 -0.120 0.000 1.286 605 A CA -0.818 51.124 52.037 -0.158 0.000 0.792 605 A CB 0.810 19.748 19.000 -0.103 0.000 1.355 605 A HN 0.644 nan 8.150 nan 0.000 0.472 606 L N -3.094 118.118 121.223 -0.019 0.000 2.869 606 L HA 0.938 5.278 4.340 0.000 0.000 0.265 606 L C -0.933 176.020 176.870 0.139 0.000 1.011 606 L CA -0.691 54.148 54.840 -0.000 0.000 0.913 606 L CB 1.240 43.274 42.059 -0.041 0.000 1.490 606 L HN 1.293 nan 8.230 nan 0.000 0.410 607 F N -1.073 118.891 119.950 0.023 0.000 2.645 607 F HA 0.933 5.460 4.527 0.000 0.000 0.310 607 F C -1.352 174.482 175.800 0.057 0.000 1.102 607 F CA -1.381 56.653 58.000 0.057 0.000 0.952 607 F CB 1.486 40.515 39.000 0.049 0.000 1.326 607 F HN 0.351 nan 8.300 nan 0.000 0.456 608 V N 2.151 122.208 119.914 0.239 0.000 2.407 608 V HA 0.592 4.712 4.120 0.000 0.000 0.278 608 V C -0.110 176.081 176.094 0.163 0.000 1.037 608 V CA -0.241 62.099 62.300 0.066 0.000 0.900 608 V CB 0.898 32.730 31.823 0.014 0.000 0.983 608 V HN 0.942 nan 8.190 nan 0.000 0.459 609 S N 3.132 118.851 115.700 0.032 0.000 2.600 609 S HA 0.521 4.991 4.470 0.000 0.000 0.300 609 S C -0.645 173.961 174.600 0.010 0.000 1.087 609 S CA -0.710 57.550 58.200 0.100 0.000 0.965 609 S CB 1.776 65.051 63.200 0.125 0.000 1.089 609 S HN 0.858 nan 8.310 nan 0.000 0.496 610 E N 1.506 121.725 120.200 0.031 0.000 2.115 610 E HA 0.273 4.623 4.350 0.000 0.000 0.282 610 E C -1.280 175.323 176.600 0.004 0.000 0.987 610 E CA -0.297 56.104 56.400 0.002 0.000 0.797 610 E CB 0.682 30.395 29.700 0.022 0.000 1.086 610 E HN 0.376 nan 8.360 nan 0.000 0.397 611 E N 4.137 124.326 120.200 -0.019 0.000 2.256 611 E HA 0.112 4.463 4.350 0.000 0.000 0.243 611 E C -1.246 175.347 176.600 -0.012 0.000 0.925 611 E CA -0.329 56.062 56.400 -0.014 0.000 0.748 611 E CB 0.245 29.926 29.700 -0.031 0.000 1.206 611 E HN 0.582 nan 8.360 nan 0.000 0.428 612 E N 3.402 123.603 120.200 0.001 0.000 2.240 612 E HA -0.290 4.060 4.350 0.000 0.000 0.194 612 E C -0.524 176.077 176.600 0.002 0.000 1.385 612 E CA 0.742 57.144 56.400 0.003 0.000 0.686 612 E CB -0.928 28.772 29.700 -0.001 0.000 1.125 612 E HN 0.661 nan 8.360 nan 0.000 0.359 613 K N -1.087 119.318 120.400 0.008 0.000 3.088 613 K HA -0.257 4.064 4.320 0.000 0.000 0.273 613 K C -0.532 176.069 176.600 0.002 0.000 1.111 613 K CA 1.378 57.673 56.287 0.013 0.000 0.803 613 K CB -0.793 31.717 32.500 0.017 0.000 1.226 613 K HN 0.341 nan 8.250 nan 0.000 0.485 614 K N 0.740 121.126 120.400 -0.022 0.000 2.565 614 K HA 0.364 4.685 4.320 0.000 0.000 0.249 614 K C -0.374 176.168 176.600 -0.096 0.000 0.958 614 K CA -0.719 55.536 56.287 -0.054 0.000 0.806 614 K CB 1.733 34.206 32.500 -0.044 0.000 1.194 614 K HN -0.029 nan 8.250 nan 0.000 0.434 615 L N 2.099 123.218 121.223 -0.174 0.000 2.410 615 L HA 0.227 4.567 4.340 0.000 0.000 0.273 615 L C 0.433 177.192 176.870 -0.185 0.000 1.152 615 L CA 0.368 55.072 54.840 -0.226 0.000 0.855 615 L CB 0.950 42.755 42.059 -0.423 0.000 1.129 615 L HN 0.631 nan 8.230 nan 0.000 0.463 616 T N 3.743 118.205 114.554 -0.153 0.000 2.916 616 T HA 0.451 4.801 4.350 0.000 0.000 0.305 616 T C -0.375 174.227 174.700 -0.163 0.000 1.119 616 T CA -0.766 61.249 62.100 -0.142 0.000 1.008 616 T CB 1.145 69.947 68.868 -0.111 0.000 1.129 616 T HN 0.545 nan 8.240 nan 0.000 0.480 617 R N 2.517 122.919 120.500 -0.164 0.000 2.531 617 R HA 0.588 4.928 4.340 0.000 0.000 0.273 617 R C -0.437 175.695 176.300 -0.279 0.000 1.070 617 R CA -0.922 55.060 56.100 -0.197 0.000 1.112 617 R CB 0.585 30.812 30.300 -0.122 0.000 1.049 617 R HN 0.323 nan 8.270 nan 0.000 0.508 618 K N 2.492 122.617 120.400 -0.458 0.000 2.613 618 K HA 0.195 4.516 4.320 0.000 0.000 0.248 618 K C -0.952 175.395 176.600 -0.422 0.000 0.959 618 K CA -0.436 55.538 56.287 -0.521 0.000 0.855 618 K CB 2.060 34.024 32.500 -0.892 0.000 1.143 618 K HN 0.588 nan 8.250 nan 0.000 0.437 619 E N 1.999 122.064 120.200 -0.225 0.000 2.290 619 E HA 0.260 4.610 4.350 0.000 0.000 0.277 619 E C 0.317 176.860 176.600 -0.095 0.000 1.035 619 E CA -0.535 55.765 56.400 -0.167 0.000 0.873 619 E CB 1.137 30.745 29.700 -0.154 0.000 1.029 619 E HN 0.385 nan 8.360 nan 0.000 0.419 620 V N 0.669 120.529 119.914 -0.090 0.000 3.158 620 V HA 0.552 4.672 4.120 0.000 0.000 0.311 620 V C -1.373 174.644 176.094 -0.127 0.000 1.181 620 V CA -1.002 61.317 62.300 0.032 0.000 1.054 620 V CB 1.240 33.162 31.823 0.165 0.000 1.085 620 V HN 0.520 nan 8.190 nan 0.000 0.446 621 Y N 0.608 120.922 120.300 0.023 0.000 2.331 621 Y HA 0.641 5.191 4.550 0.000 0.000 0.334 621 Y C 0.230 176.124 175.900 -0.010 0.000 0.960 621 Y CA -0.728 57.375 58.100 0.005 0.000 1.130 621 Y CB 1.759 40.245 38.460 0.043 0.000 1.164 621 Y HN 0.527 nan 8.280 nan 0.000 0.458 622 I N 5.515 126.126 120.570 0.068 0.000 2.406 622 I HA 0.079 4.249 4.170 0.000 0.000 0.293 622 I C -0.146 176.001 176.117 0.049 0.000 1.101 622 I CA -0.534 60.784 61.300 0.030 0.000 1.334 622 I CB 0.293 38.286 38.000 -0.011 0.000 1.421 622 I HN 0.355 nan 8.210 nan 0.000 0.513 623 K N 5.659 126.078 120.400 0.032 0.000 2.054 623 K HA 0.024 4.344 4.320 0.000 0.000 0.242 623 K C 0.410 177.018 176.600 0.014 0.000 1.157 623 K CA 0.117 56.416 56.287 0.020 0.000 1.079 623 K CB -0.387 32.108 32.500 -0.009 0.000 1.331 623 K HN 0.449 nan 8.250 nan 0.000 0.317 624 N N 0.912 119.621 118.700 0.015 0.000 2.205 624 N HA 0.021 4.761 4.740 0.000 0.000 0.201 624 N C 0.858 176.370 175.510 0.003 0.000 1.128 624 N CA 0.120 53.175 53.050 0.009 0.000 0.867 624 N CB 0.580 39.066 38.487 -0.001 0.000 0.996 624 N HN 0.482 nan 8.380 nan 0.000 0.503 625 G N 0.245 109.046 108.800 0.002 0.000 2.873 625 G HA2 -0.059 3.901 3.960 0.000 0.000 0.170 625 G HA3 -0.059 3.901 3.960 0.000 0.000 0.170 625 G C 0.571 175.465 174.900 -0.009 0.000 1.608 625 G CA 0.557 45.653 45.100 -0.006 0.000 1.084 625 G HN 0.393 nan 8.290 nan 0.000 0.563 626 D N -0.624 119.765 120.400 -0.018 0.000 2.347 626 D HA -0.016 4.624 4.640 0.000 0.000 0.213 626 D C 1.701 177.993 176.300 -0.013 0.000 0.985 626 D CA 0.561 54.550 54.000 -0.019 0.000 0.879 626 D CB -0.044 40.736 40.800 -0.035 0.000 0.919 626 D HN 0.421 nan 8.370 nan 0.000 0.526 627 K N 0.331 120.722 120.400 -0.014 0.000 2.486 627 K HA 0.004 4.324 4.320 0.000 0.000 0.194 627 K C 1.878 178.475 176.600 -0.006 0.000 1.033 627 K CA 0.097 56.375 56.287 -0.015 0.000 1.004 627 K CB 0.219 32.705 32.500 -0.024 0.000 0.798 627 K HN 0.096 nan 8.250 nan 0.000 0.495 628 K N 1.128 121.530 120.400 0.003 0.000 2.063 628 K HA -0.153 4.167 4.320 0.000 0.000 0.208 628 K C 2.040 178.657 176.600 0.029 0.000 1.048 628 K CA 1.621 57.918 56.287 0.016 0.000 0.928 628 K CB -0.189 32.326 32.500 0.026 0.000 0.713 628 K HN 0.235 nan 8.250 nan 0.000 0.442 629 G N -0.123 108.693 108.800 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 1.439 176.361 174.900 0.038 0.000 1.162 629 G CA 0.888 46.010 45.100 0.037 0.000 0.777 629 G HN 0.322 nan 8.290 nan 0.000 0.539 630 S N -0.683 115.030 115.700 0.022 0.000 2.399 630 S HA -0.160 4.310 4.470 0.000 0.000 0.231 630 S C 2.238 176.852 174.600 0.024 0.000 1.022 630 S CA 1.048 59.261 58.200 0.022 0.000 0.983 630 S CB -0.412 62.790 63.200 0.003 0.000 0.803 630 S HN 0.524 nan 8.310 nan 0.000 0.480 631 c N 1.787 120.390 118.600 0.004 0.000 2.505 631 c HA 0.094 4.664 4.570 0.000 0.000 0.279 631 c C 2.488 176.590 174.090 0.020 0.000 1.316 631 c CA 0.306 56.612 56.329 -0.038 0.000 1.720 631 c CB -1.071 41.379 42.510 -0.100 0.000 2.050 631 c HN 0.581 nan 8.230 nan 0.000 0.493 632 E N 0.277 120.535 120.200 0.096 0.000 2.031 632 E HA -0.180 4.170 4.350 0.000 0.000 0.193 632 E C 2.331 179.046 176.600 0.190 0.000 0.994 632 E CA 1.108 57.641 56.400 0.220 0.000 0.800 632 E CB -0.229 29.570 29.700 0.164 0.000 0.752 632 E HN 0.577 nan 8.360 nan 0.000 0.447 633 R N 0.907 121.481 120.500 0.123 0.000 2.200 633 R HA -0.129 4.212 4.340 0.000 0.000 0.234 633 R C 1.325 177.712 176.300 0.145 0.000 1.127 633 R CA 1.005 57.167 56.100 0.104 0.000 0.989 633 R CB -0.131 30.217 30.300 0.079 0.000 0.869 633 R HN 0.144 nan 8.270 nan 0.000 0.459 634 D N 0.579 121.097 120.400 0.197 0.000 2.392 634 D HA -0.065 4.575 4.640 0.000 0.000 0.228 634 D C 1.404 177.895 176.300 0.319 0.000 1.003 634 D CA 0.678 54.861 54.000 0.304 0.000 0.917 634 D CB 0.024 40.944 40.800 0.199 0.000 0.890 634 D HN 0.247 nan 8.370 nan 0.000 0.532 635 A N 0.905 123.860 122.820 0.225 0.000 2.172 635 A HA -0.191 4.129 4.320 0.000 0.000 0.216 635 A C 2.087 179.695 177.584 0.040 0.000 1.154 635 A CA 0.938 53.044 52.037 0.116 0.000 0.701 635 A CB -0.510 18.440 19.000 -0.083 0.000 0.789 635 A HN 0.399 nan 8.150 nan 0.000 0.465 636 Q N -1.696 118.125 119.800 0.036 0.000 2.224 636 Q HA -0.181 4.159 4.340 0.000 0.000 0.203 636 Q C 1.289 177.217 176.000 -0.120 0.000 0.970 636 Q CA 1.604 57.366 55.803 -0.068 0.000 0.865 636 Q CB -0.646 27.970 28.738 -0.202 0.000 0.922 636 Q HN 0.711 nan 8.270 nan 0.000 0.445 637 Y N 1.448 121.730 120.300 -0.030 0.000 2.516 637 Y HA 0.215 4.765 4.550 0.000 0.000 0.291 637 Y C 1.390 177.320 175.900 0.050 0.000 1.131 637 Y CA 0.041 58.091 58.100 -0.085 0.000 1.281 637 Y CB -0.078 38.160 38.460 -0.370 0.000 1.013 637 Y HN 0.188 nan 8.280 nan 0.000 0.554 638 A N 1.394 124.357 122.820 0.239 0.000 2.483 638 A HA 0.195 4.516 4.320 0.000 0.000 0.238 638 A C -2.325 175.445 177.584 0.309 0.000 1.070 638 A CA -1.265 50.936 52.037 0.274 0.000 0.770 638 A CB -0.401 18.736 19.000 0.229 0.000 1.008 638 A HN 0.007 nan 8.150 nan 0.000 0.497 639 P HA 0.272 nan 4.420 nan 0.000 0.262 639 P C 1.069 178.469 177.300 0.167 0.000 1.199 639 P CA 1.747 64.959 63.100 0.188 0.000 0.763 639 P CB 0.632 32.423 31.700 0.151 0.000 0.790 640 G N 2.954 111.792 108.800 0.064 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 0.801 175.626 174.900 -0.126 0.000 1.117 640 G CA -0.225 44.827 45.100 -0.080 0.000 0.657 640 G HN 0.449 nan 8.290 nan 0.000 0.512 641 Y N 3.035 123.314 120.300 -0.036 0.000 2.632 641 Y HA 0.112 4.662 4.550 0.000 0.000 0.301 641 Y C 2.424 178.292 175.900 -0.053 0.000 1.172 641 Y CA 1.157 59.229 58.100 -0.046 0.000 1.328 641 Y CB -0.197 38.242 38.460 -0.034 0.000 1.016 641 Y HN 0.523 nan 8.280 nan 0.000 0.529 642 D N 1.161 121.603 120.400 0.070 0.000 2.265 642 D HA -0.236 4.404 4.640 0.000 0.000 0.208 642 D C 0.915 177.197 176.300 -0.030 0.000 0.977 642 D CA 1.409 55.407 54.000 -0.004 0.000 0.871 642 D CB -0.456 40.337 40.800 -0.012 0.000 0.925 642 D HN 0.515 nan 8.370 nan 0.000 0.485 643 K N 0.178 120.562 120.400 -0.025 0.000 2.537 643 K HA 0.301 4.621 4.320 0.000 0.000 0.206 643 K C -0.381 176.202 176.600 -0.029 0.000 1.041 643 K CA -0.512 55.754 56.287 -0.035 0.000 1.090 643 K CB 0.772 33.247 32.500 -0.041 0.000 0.833 643 K HN -0.099 nan 8.250 nan 0.000 0.493 644 V N 3.027 122.936 119.914 -0.007 0.000 2.479 644 V HA 0.017 4.137 4.120 0.000 0.000 0.281 644 V C 1.102 177.197 176.094 0.002 0.000 1.031 644 V CA -0.054 62.250 62.300 0.007 0.000 1.038 644 V CB 0.875 32.739 31.823 0.068 0.000 0.981 644 V HN 0.399 nan 8.190 nan 0.000 0.478 645 K N 2.649 123.046 120.400 -0.005 0.000 1.965 645 K HA -0.105 4.215 4.320 0.000 0.000 0.218 645 K C 0.603 177.207 176.600 0.006 0.000 1.048 645 K CA 1.365 57.649 56.287 -0.005 0.000 0.960 645 K CB -0.011 32.484 32.500 -0.008 0.000 0.732 645 K HN 0.657 nan 8.250 nan 0.000 0.444 646 D N 0.236 120.646 120.400 0.017 0.000 2.373 646 D HA 0.063 4.703 4.640 0.000 0.000 0.227 646 D C 0.320 176.646 176.300 0.044 0.000 1.091 646 D CA -0.306 53.711 54.000 0.028 0.000 0.840 646 D CB 1.271 42.089 40.800 0.030 0.000 1.060 646 D HN -0.043 nan 8.370 nan 0.000 0.502 647 I N 3.307 123.901 120.570 0.041 0.000 2.567 647 I HA -0.189 3.981 4.170 0.000 0.000 0.257 647 I C 1.904 178.053 176.117 0.054 0.000 1.184 647 I CA 1.258 62.586 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 0.435 nan 8.210 nan 0.000 0.441 648 S N -0.908 114.828 115.700 0.060 0.000 2.515 648 S HA -0.104 4.367 4.470 0.000 0.000 0.231 648 S C 1.829 176.489 174.600 0.100 0.000 0.987 648 S CA 0.797 59.041 58.200 0.073 0.000 0.936 648 S CB -0.367 62.875 63.200 0.070 0.000 0.766 648 S HN 0.519 nan 8.310 nan 0.000 0.528 649 E N 1.507 121.771 120.200 0.106 0.000 2.371 649 E HA 0.001 4.351 4.350 0.000 0.000 0.194 649 E C 1.590 178.338 176.600 0.247 0.000 1.012 649 E CA 0.902 57.390 56.400 0.147 0.000 0.860 649 E CB 0.134 29.891 29.700 0.095 0.000 0.811 649 E HN 0.602 nan 8.360 nan 0.000 0.502 650 V N -2.997 117.028 119.914 0.185 0.000 3.645 650 V HA 0.314 4.434 4.120 0.000 0.000 0.275 650 V C 0.500 176.564 176.094 -0.050 0.000 1.356 650 V CA -0.219 62.191 62.300 0.182 0.000 1.051 650 V CB 0.943 32.922 31.823 0.260 0.000 0.828 650 V HN -0.061 nan 8.190 nan 0.000 0.441 651 V N 3.353 123.248 119.914 -0.031 0.000 2.235 651 V HA 0.385 4.505 4.120 0.000 0.000 0.266 651 V C 0.754 176.953 176.094 0.174 0.000 1.055 651 V CA 0.330 62.570 62.300 -0.099 0.000 0.844 651 V CB 0.272 32.004 31.823 -0.151 0.000 1.097 651 V HN 0.648 nan 8.190 nan 0.000 0.453 652 T N 1.751 116.516 114.554 0.352 0.000 2.813 652 T HA 0.244 4.594 4.350 0.000 0.000 0.297 652 T C -1.513 173.321 174.700 0.223 0.000 1.036 652 T CA -1.475 60.769 62.100 0.240 0.000 1.044 652 T CB 1.049 69.981 68.868 0.106 0.000 0.993 652 T HN 0.316 nan 8.240 nan 0.000 0.535 653 P HA 0.023 nan 4.420 nan 0.000 0.234 653 P C 0.813 178.112 177.300 -0.002 0.000 1.162 653 P CA 0.502 63.646 63.100 0.072 0.000 0.759 653 P CB -0.001 31.733 31.700 0.056 0.000 0.813 654 R N -1.599 118.807 120.500 -0.157 0.000 2.335 654 R HA 0.209 4.549 4.340 0.000 0.000 0.223 654 R C -0.154 175.880 176.300 -0.442 0.000 0.940 654 R CA 0.069 55.940 56.100 -0.382 0.000 1.086 654 R CB -0.776 29.054 30.300 -0.784 0.000 1.073 654 R HN 0.157 nan 8.270 nan 0.000 0.504 655 F N -0.214 119.749 119.950 0.022 0.000 2.482 655 F HA 0.430 4.957 4.527 0.000 0.000 0.331 655 F C 0.040 175.914 175.800 0.122 0.000 1.115 655 F CA -1.015 57.045 58.000 0.101 0.000 0.955 655 F CB 1.297 40.388 39.000 0.151 0.000 1.136 655 F HN -0.268 nan 8.300 nan 0.000 0.452 656 L N 3.030 124.451 121.223 0.330 0.000 2.322 656 L HA 0.500 4.840 4.340 0.000 0.000 0.279 656 L C -0.667 176.320 176.870 0.194 0.000 1.036 656 L CA -0.728 54.242 54.840 0.218 0.000 0.807 656 L CB 1.749 43.897 42.059 0.149 0.000 1.226 656 L HN 0.622 nan 8.230 nan 0.000 0.433 657 c N 2.438 121.068 118.600 0.050 0.000 2.351 657 c HA 0.817 5.388 4.570 0.000 0.000 0.326 657 c C 0.437 174.451 174.090 -0.127 0.000 1.272 657 c CA -0.125 56.095 56.329 -0.182 0.000 1.650 657 c CB 0.662 43.036 42.510 -0.228 0.000 2.257 657 c HN 0.935 nan 8.230 nan 0.000 0.505 658 T N 2.124 116.570 114.554 -0.181 0.000 2.838 658 T HA 0.904 5.255 4.350 0.000 0.000 0.292 658 T C -0.015 174.609 174.700 -0.127 0.000 1.113 658 T CA 0.388 62.449 62.100 -0.065 0.000 1.008 658 T CB 1.086 69.989 68.868 0.057 0.000 1.259 658 T HN 2.444 nan 8.240 nan 0.000 0.520 659 G N -1.257 107.528 108.800 -0.024 0.000 2.746 659 G HA2 0.486 4.446 3.960 0.000 0.000 0.685 659 G HA3 0.486 4.446 3.960 0.000 0.000 0.685 659 G C 0.231 175.094 174.900 -0.060 0.000 1.350 659 G CA 0.198 45.276 45.100 -0.037 0.000 0.837 659 G HN 2.762 nan 8.290 nan 0.000 0.564 660 G N -2.578 106.190 108.800 -0.053 0.000 2.297 660 G HA2 0.440 4.400 3.960 0.000 0.000 0.209 660 G HA3 0.440 4.400 3.960 0.000 0.000 0.209 660 G C 0.804 175.677 174.900 -0.044 0.000 1.267 660 G CA 1.557 46.617 45.100 -0.066 0.000 1.127 660 G HN 2.380 nan 8.290 nan 0.000 0.498 661 V N -3.574 116.306 119.914 -0.056 0.000 3.562 661 V HA 0.672 4.792 4.120 0.000 0.000 0.270 661 V C 0.778 176.820 176.094 -0.087 0.000 1.418 661 V CA 1.394 63.659 62.300 -0.057 0.000 1.033 661 V CB 0.689 32.470 31.823 -0.069 0.000 0.820 661 V HN 1.641 nan 8.190 nan 0.000 0.441 662 S N 1.648 117.291 115.700 -0.096 0.000 2.502 662 S HA 0.712 5.183 4.470 0.000 0.000 0.304 662 S C -2.200 172.318 174.600 -0.136 0.000 1.097 662 S CA -1.101 57.010 58.200 -0.147 0.000 1.045 662 S CB 2.047 65.173 63.200 -0.123 0.000 1.019 662 S HN 0.260 nan 8.310 nan 0.000 0.481 663 P HA 0.249 nan 4.420 nan 0.000 0.255 663 P C -0.970 175.895 177.300 -0.724 0.000 1.248 663 P CA 0.455 63.294 63.100 -0.435 0.000 0.807 663 P CB -0.036 31.398 31.700 -0.444 0.000 1.150 664 Y N -1.357 118.807 120.300 -0.226 0.000 2.689 664 Y HA 0.601 5.151 4.550 0.000 0.000 0.333 664 Y C -0.168 175.695 175.900 -0.063 0.000 1.190 664 Y CA -1.770 56.245 58.100 -0.141 0.000 1.063 664 Y CB 0.782 39.149 38.460 -0.155 0.000 1.294 664 Y HN -0.362 nan 8.280 nan 0.000 0.466 665 A N 1.700 124.614 122.820 0.157 0.000 2.527 665 A HA 0.366 4.687 4.320 0.000 0.000 0.313 665 A C -1.009 176.638 177.584 0.105 0.000 1.410 665 A CA -0.448 51.639 52.037 0.083 0.000 1.060 665 A CB -0.800 18.230 19.000 0.050 0.000 1.137 665 A HN 0.541 nan 8.150 nan 0.000 0.542 666 D N 3.309 123.773 120.400 0.106 0.000 2.302 666 D HA 0.412 5.052 4.640 0.000 0.000 0.248 666 D C -2.319 174.035 176.300 0.091 0.000 1.094 666 D CA -1.068 53.006 54.000 0.125 0.000 0.897 666 D CB 0.727 41.618 40.800 0.152 0.000 1.200 666 D HN 0.263 nan 8.370 nan 0.000 0.429 667 P HA 0.175 nan 4.420 nan 0.000 0.271 667 P C -0.795 176.624 177.300 0.199 0.000 1.218 667 P CA -0.345 62.820 63.100 0.108 0.000 0.780 667 P CB 0.580 32.311 31.700 0.051 0.000 0.901 668 N N -0.373 118.421 118.700 0.156 0.000 2.443 668 N HA 0.353 5.093 4.740 0.000 0.000 0.295 668 N C -0.336 175.275 175.510 0.167 0.000 1.076 668 N CA -0.496 52.623 53.050 0.115 0.000 0.919 668 N CB 0.380 38.879 38.487 0.020 0.000 1.176 668 N HN 0.375 nan 8.380 nan 0.000 0.487 669 T N -1.321 113.229 114.554 -0.006 0.000 2.926 669 T HA 0.295 4.646 4.350 0.000 0.000 0.307 669 T C 0.231 174.926 174.700 -0.009 0.000 1.059 669 T CA -0.510 61.520 62.100 -0.117 0.000 1.122 669 T CB -0.015 68.597 68.868 -0.425 0.000 0.972 669 T HN 0.384 nan 8.240 nan 0.000 0.545 670 c N 2.376 121.004 118.600 0.046 0.000 2.407 670 c HA 0.550 5.120 4.570 0.000 0.000 0.366 670 c C 2.248 176.363 174.090 0.041 0.000 1.213 670 c CA -0.978 55.382 56.329 0.051 0.000 2.011 670 c CB 1.205 43.761 42.510 0.077 0.000 2.306 670 c HN 1.168 nan 8.230 nan 0.000 0.527 671 R N 0.837 121.366 120.500 0.048 0.000 2.103 671 R HA -0.126 4.214 4.340 0.000 0.000 0.242 671 R C 1.913 178.253 176.300 0.066 0.000 1.142 671 R CA 2.238 58.374 56.100 0.060 0.000 0.960 671 R CB -0.795 29.538 30.300 0.054 0.000 0.858 671 R HN 0.987 nan 8.270 nan 0.000 0.439 672 G N -0.153 108.686 108.800 0.064 0.000 2.509 672 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 672 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 672 G C 0.672 175.616 174.900 0.073 0.000 1.124 672 G CA 0.628 45.769 45.100 0.068 0.000 0.776 672 G HN 0.366 nan 8.290 nan 0.000 0.547 673 D N 0.112 120.559 120.400 0.078 0.000 2.348 673 D HA 0.054 4.694 4.640 0.000 0.000 0.211 673 D C 1.429 177.767 176.300 0.064 0.000 0.998 673 D CA 0.125 54.179 54.000 0.091 0.000 0.873 673 D CB 0.097 40.970 40.800 0.121 0.000 0.925 673 D HN 0.177 nan 8.370 nan 0.000 0.524 674 S N -0.496 115.242 115.700 0.064 0.000 2.563 674 S HA 0.249 4.719 4.470 0.000 0.000 0.294 674 S C 1.464 176.110 174.600 0.076 0.000 1.279 674 S CA 1.017 59.275 58.200 0.097 0.000 1.069 674 S CB 0.219 63.537 63.200 0.197 0.000 0.828 674 S HN 0.486 nan 8.310 nan 0.000 0.497 675 G N 3.258 112.121 108.800 0.105 0.000 2.213 675 G HA2 -0.173 3.787 3.960 0.000 0.000 0.236 675 G HA3 -0.173 3.787 3.960 0.000 0.000 0.236 675 G C 0.598 175.568 174.900 0.118 0.000 0.991 675 G CA 0.111 45.262 45.100 0.086 0.000 0.629 675 G HN 1.313 nan 8.290 nan 0.000 0.517 676 G N 0.683 109.556 108.800 0.122 0.000 2.664 676 G HA2 0.493 4.453 3.960 0.000 0.000 0.242 676 G HA3 0.493 4.453 3.960 0.000 0.000 0.242 676 G C -2.157 172.847 174.900 0.173 0.000 1.225 676 G CA -0.179 45.016 45.100 0.158 0.000 0.849 676 G HN 0.304 nan 8.290 nan 0.000 0.581 677 P HA 0.204 nan 4.420 nan 0.000 0.280 677 P C -0.533 176.852 177.300 0.142 0.000 1.244 677 P CA -0.628 62.570 63.100 0.163 0.000 0.784 677 P CB 1.276 33.083 31.700 0.178 0.000 0.913 678 L N 5.138 126.392 121.223 0.051 0.000 2.270 678 L HA 0.377 4.717 4.340 0.000 0.000 0.286 678 L C -0.730 176.135 176.870 -0.008 0.000 1.059 678 L CA -0.124 54.696 54.840 -0.033 0.000 0.839 678 L CB -0.858 41.049 42.059 -0.253 0.000 1.221 678 L HN 0.242 nan 8.230 nan 0.000 0.431 679 I N 4.722 125.318 120.570 0.043 0.000 2.498 679 I HA 0.393 4.563 4.170 0.000 0.000 0.301 679 I C -0.476 175.654 176.117 0.020 0.000 0.984 679 I CA -0.976 60.340 61.300 0.026 0.000 1.204 679 I CB 1.813 39.861 38.000 0.081 0.000 1.362 679 I HN 0.131 nan 8.210 nan 0.000 0.471 680 V N 4.423 124.328 119.914 -0.014 0.000 2.326 680 V HA 0.150 4.270 4.120 0.000 0.000 0.281 680 V C -0.366 175.671 176.094 -0.094 0.000 1.015 680 V CA -0.607 61.664 62.300 -0.048 0.000 0.823 680 V CB 0.860 32.646 31.823 -0.061 0.000 1.009 680 V HN 0.618 nan 8.190 nan 0.000 0.436 681 H N 5.378 124.320 119.070 -0.213 0.000 2.934 681 H HA 0.475 5.031 4.556 0.000 0.000 0.273 681 H C -0.239 174.899 175.328 -0.315 0.000 1.121 681 H CA 0.251 56.050 56.048 -0.415 0.000 1.451 681 H CB 0.292 29.776 29.762 -0.463 0.000 1.469 681 H HN 0.546 nan 8.280 nan 0.000 0.476 682 K N 4.516 124.548 120.400 -0.614 0.000 2.507 682 K HA 0.282 4.603 4.320 0.000 0.000 0.251 682 K C -0.307 176.032 176.600 -0.434 0.000 0.943 682 K CA -0.990 55.053 56.287 -0.406 0.000 0.794 682 K CB 1.887 34.251 32.500 -0.227 0.000 1.188 682 K HN 0.761 nan 8.250 nan 0.000 0.428 683 R N 1.250 121.556 120.500 -0.322 0.000 3.422 683 R HA -0.191 4.149 4.340 0.000 0.000 0.267 683 R C -0.670 175.467 176.300 -0.271 0.000 1.074 683 R CA 0.656 56.624 56.100 -0.220 0.000 0.718 683 R CB -2.336 27.877 30.300 -0.146 0.000 1.157 683 R HN 0.923 nan 8.270 nan 0.000 0.440 684 S N -1.658 113.794 115.700 -0.413 0.000 3.586 684 S HA -0.198 4.272 4.470 0.000 0.000 0.309 684 S C -0.022 174.378 174.600 -0.334 0.000 1.195 684 S CA 1.507 59.531 58.200 -0.293 0.000 0.895 684 S CB -0.582 62.580 63.200 -0.063 0.000 0.983 684 S HN 0.482 nan 8.310 nan 0.000 0.563 685 R N -0.620 119.518 120.500 -0.603 0.000 2.725 685 R HA 0.615 4.956 4.340 0.000 0.000 0.277 685 R C -1.100 174.853 176.300 -0.579 0.000 0.987 685 R CA -0.497 55.375 56.100 -0.380 0.000 0.901 685 R CB 0.829 31.003 30.300 -0.210 0.000 1.207 685 R HN 0.146 nan 8.270 nan 0.000 0.463 686 F N 2.751 122.566 119.950 -0.225 0.000 2.427 686 F HA 0.493 5.020 4.527 0.000 0.000 0.346 686 F C 0.418 176.027 175.800 -0.318 0.000 1.120 686 F CA -0.736 57.093 58.000 -0.285 0.000 1.033 686 F CB 1.204 39.914 39.000 -0.483 0.000 1.126 686 F HN 0.086 nan 8.300 nan 0.000 0.462 687 I N 3.018 123.520 120.570 -0.113 0.000 2.439 687 I HA 0.225 4.395 4.170 0.000 0.000 0.285 687 I C -0.300 175.753 176.117 -0.108 0.000 1.021 687 I CA -0.842 60.385 61.300 -0.122 0.000 1.091 687 I CB 1.461 39.408 38.000 -0.089 0.000 1.242 687 I HN 0.638 nan 8.210 nan 0.000 0.439 688 Q N 4.803 124.521 119.800 -0.136 0.000 2.296 688 Q HA 0.324 4.665 4.340 0.000 0.000 0.262 688 Q C 0.310 176.281 176.000 -0.048 0.000 0.981 688 Q CA -0.081 55.666 55.803 -0.093 0.000 0.905 688 Q CB 1.355 30.035 28.738 -0.096 0.000 1.186 688 Q HN 0.678 nan 8.270 nan 0.000 0.399 689 V N 0.452 120.363 119.914 -0.005 0.000 3.398 689 V HA 0.631 4.752 4.120 0.000 0.000 0.298 689 V C 0.198 176.330 176.094 0.063 0.000 1.496 689 V CA 0.445 62.778 62.300 0.054 0.000 1.044 689 V CB 0.497 32.401 31.823 0.135 0.000 0.880 689 V HN 0.663 nan 8.190 nan 0.000 0.443 690 G N -0.548 108.272 108.800 0.033 0.000 2.623 690 G HA2 0.589 4.549 3.960 0.000 0.000 0.290 690 G HA3 0.589 4.549 3.960 0.000 0.000 0.290 690 G C -1.939 173.015 174.900 0.091 0.000 1.437 690 G CA -0.352 44.784 45.100 0.061 0.000 0.798 690 G HN 0.361 nan 8.290 nan 0.000 0.488 691 V N 1.254 121.260 119.914 0.153 0.000 2.483 691 V HA 0.345 4.465 4.120 0.000 0.000 0.297 691 V C 0.388 176.640 176.094 0.264 0.000 1.027 691 V CA -0.612 61.797 62.300 0.182 0.000 0.855 691 V CB 1.542 33.459 31.823 0.157 0.000 0.995 691 V HN 0.687 nan 8.190 nan 0.000 0.424 692 I N 3.755 124.493 120.570 0.279 0.000 2.818 692 I HA -0.065 4.105 4.170 0.000 0.000 0.285 692 I C 1.441 177.629 176.117 0.118 0.000 1.160 692 I CA 0.743 62.165 61.300 0.203 0.000 1.370 692 I CB 0.438 38.476 38.000 0.063 0.000 1.440 692 I HN 0.810 nan 8.210 nan 0.000 0.555 693 S N 8.167 123.901 115.700 0.056 0.000 2.346 693 S HA 0.174 4.644 4.470 0.000 0.000 0.204 693 S C -0.125 174.497 174.600 0.036 0.000 1.008 693 S CA 0.098 58.428 58.200 0.216 0.000 0.925 693 S CB 0.439 63.916 63.200 0.462 0.000 0.903 693 S HN 0.695 nan 8.310 nan 0.000 0.537 694 W N 0.084 121.170 121.300 -0.357 0.000 3.213 694 W HA 0.699 5.359 4.660 0.000 0.000 0.318 694 W C -0.588 175.777 176.519 -0.257 0.000 1.248 694 W CA -1.113 55.941 57.345 -0.485 0.000 1.187 694 W CB 0.337 29.206 29.460 -0.983 0.000 1.403 694 W HN 0.376 nan 8.180 nan 0.000 0.556 695 G N 0.314 109.045 108.800 -0.116 0.000 2.511 695 G HA2 0.497 4.457 3.960 0.000 0.000 0.318 695 G HA3 0.497 4.457 3.960 0.000 0.000 0.318 695 G C -0.296 174.622 174.900 0.030 0.000 1.210 695 G CA -0.664 44.329 45.100 -0.178 0.000 0.969 695 G HN 0.372 nan 8.290 nan 0.000 0.484 696 V N 0.010 119.923 119.914 -0.001 0.000 2.346 696 V HA 0.019 4.139 4.120 0.000 0.000 0.244 696 V C 0.942 177.129 176.094 0.154 0.000 1.037 696 V CA 0.940 63.328 62.300 0.147 0.000 1.029 696 V CB -0.217 31.701 31.823 0.159 0.000 0.663 696 V HN 0.346 nan 8.190 nan 0.000 0.454 697 V N 0.866 120.829 119.914 0.082 0.000 2.495 697 V HA 0.376 4.496 4.120 0.000 0.000 0.298 697 V C -0.672 175.446 176.094 0.040 0.000 1.031 697 V CA -0.683 61.661 62.300 0.074 0.000 0.871 697 V CB 1.672 33.514 31.823 0.031 0.000 0.988 697 V HN 0.320 nan 8.190 nan 0.000 0.432 698 D N 3.411 123.843 120.400 0.054 0.000 2.483 698 D HA 0.142 4.782 4.640 0.000 0.000 0.220 698 D C 0.975 177.293 176.300 0.029 0.000 1.173 698 D CA -0.100 53.925 54.000 0.041 0.000 0.964 698 D CB 1.244 42.075 40.800 0.053 0.000 1.046 698 D HN 0.419 nan 8.370 nan 0.000 0.517 699 V N 0.752 120.676 119.914 0.017 0.000 3.129 699 V HA 0.108 4.228 4.120 0.000 0.000 0.259 699 V C 0.814 176.920 176.094 0.021 0.000 1.116 699 V CA -0.022 62.286 62.300 0.012 0.000 1.127 699 V CB -0.922 30.902 31.823 0.003 0.000 0.742 699 V HN 0.446 nan 8.190 nan 0.000 0.474 700 c N 2.292 120.909 118.600 0.028 0.000 2.435 700 c HA 0.631 5.201 4.570 0.000 0.000 0.375 700 c C 0.577 174.686 174.090 0.032 0.000 1.281 700 c CA -0.502 55.847 56.329 0.034 0.000 1.963 700 c CB -0.152 42.383 42.510 0.042 0.000 2.490 700 c HN 0.496 nan 8.230 nan 0.000 0.557 701 K N 2.975 123.393 120.400 0.030 0.000 3.333 701 K HA 0.061 4.382 4.320 0.000 0.000 0.173 701 K C -0.132 176.486 176.600 0.028 0.000 1.138 701 K CA -0.065 56.239 56.287 0.028 0.000 0.771 701 K CB 0.325 32.841 32.500 0.025 0.000 0.982 701 K HN 0.957 nan 8.250 nan 0.000 0.572 702 N N 2.261 120.981 118.700 0.033 0.000 2.922 702 N HA -0.303 4.437 4.740 0.000 0.000 0.287 702 N C 0.429 175.956 175.510 0.029 0.000 1.009 702 N CA 1.614 54.685 53.050 0.035 0.000 0.867 702 N CB -0.644 37.868 38.487 0.042 0.000 0.930 702 N HN 0.775 nan 8.380 nan 0.000 0.604 703 Q N -2.751 117.064 119.800 0.025 0.000 1.647 703 Q HA 0.183 4.523 4.340 0.000 0.000 0.172 703 Q C -0.176 175.834 176.000 0.017 0.000 0.646 703 Q CA -0.258 55.557 55.803 0.020 0.000 0.718 703 Q CB 0.696 29.446 28.738 0.019 0.000 1.190 703 Q HN 0.271 nan 8.270 nan 0.000 0.379 704 K N -0.455 119.955 120.400 0.018 0.000 4.737 704 K HA 0.298 4.618 4.320 0.000 0.000 0.625 704 K C -1.595 175.016 176.600 0.017 0.000 0.953 704 K CA -0.763 55.534 56.287 0.015 0.000 0.928 704 K CB 0.750 33.256 32.500 0.011 0.000 1.786 704 K HN 0.012 nan 8.250 nan 0.000 0.822 705 R N 2.263 122.771 120.500 0.014 0.000 2.288 705 R HA 0.137 4.477 4.340 0.000 0.000 0.326 705 R C -0.617 175.689 176.300 0.009 0.000 0.959 705 R CA -0.631 55.478 56.100 0.015 0.000 0.834 705 R CB 1.395 31.706 30.300 0.017 0.000 1.157 705 R HN 0.590 nan 8.270 nan 0.000 0.470 706 Q N 4.040 123.845 119.800 0.008 0.000 2.400 706 Q HA -0.149 4.191 4.340 0.000 0.000 0.208 706 Q C 0.130 176.126 176.000 -0.005 0.000 1.186 706 Q CA 0.670 56.474 55.803 0.002 0.000 0.957 706 Q CB 0.029 28.768 28.738 0.001 0.000 1.543 706 Q HN 0.392 nan 8.270 nan 0.000 0.471 707 K N 1.069 121.467 120.400 -0.004 0.000 2.455 707 K HA -0.210 4.110 4.320 0.000 0.000 0.200 707 K C 0.047 176.638 176.600 -0.015 0.000 1.045 707 K CA 0.947 57.229 56.287 -0.008 0.000 0.932 707 K CB 0.059 32.556 32.500 -0.005 0.000 0.754 707 K HN 0.599 nan 8.250 nan 0.000 0.486 708 Q N 1.046 120.835 119.800 -0.019 0.000 2.842 708 Q HA 0.122 4.462 4.340 0.000 0.000 0.323 708 Q C -0.445 175.526 176.000 -0.047 0.000 1.111 708 Q CA -0.196 55.590 55.803 -0.028 0.000 1.047 708 Q CB 0.644 29.369 28.738 -0.021 0.000 1.280 708 Q HN 0.105 nan 8.270 nan 0.000 0.475 709 V N -0.624 119.255 119.914 -0.058 0.000 2.614 709 V HA 0.457 4.577 4.120 0.000 0.000 0.291 709 V C -2.049 173.957 176.094 -0.147 0.000 1.049 709 V CA -1.488 60.757 62.300 -0.091 0.000 1.038 709 V CB -0.104 31.674 31.823 -0.077 0.000 0.980 709 V HN 0.215 nan 8.190 nan 0.000 0.481 710 P HA 0.374 nan 4.420 nan 0.000 0.271 710 P C 0.699 177.762 177.300 -0.396 0.000 1.244 710 P CA 0.087 62.945 63.100 -0.404 0.000 0.793 710 P CB 0.674 31.882 31.700 -0.820 0.000 0.984 711 A N 0.370 122.963 122.820 -0.378 0.000 2.072 711 A HA -0.106 4.214 4.320 0.000 0.000 0.216 711 A C 1.318 178.761 177.584 -0.235 0.000 1.156 711 A CA 1.189 53.086 52.037 -0.233 0.000 0.701 711 A CB -1.300 17.619 19.000 -0.135 0.000 0.816 711 A HN 0.805 nan 8.150 nan 0.000 0.458 712 H N -2.264 116.666 119.070 -0.234 0.000 2.517 712 H HA 0.631 5.187 4.556 0.000 0.000 0.282 712 H C 0.620 175.843 175.328 -0.175 0.000 1.023 712 H CA 0.007 55.897 56.048 -0.263 0.000 1.169 712 H CB -0.571 28.834 29.762 -0.595 0.000 1.454 712 H HN 0.227 nan 8.280 nan 0.000 0.556 713 A N 2.516 125.168 122.820 -0.279 0.000 2.899 713 A HA 0.182 4.502 4.320 0.000 0.000 0.287 713 A C 0.091 177.588 177.584 -0.145 0.000 1.715 713 A CA -0.553 51.387 52.037 -0.161 0.000 1.393 713 A CB -0.416 18.476 19.000 -0.180 0.000 1.070 713 A HN 0.296 nan 8.150 nan 0.000 0.587 714 R N 1.258 121.661 120.500 -0.162 0.000 2.596 714 R HA 0.566 4.906 4.340 0.000 0.000 0.267 714 R C -1.259 174.758 176.300 -0.472 0.000 1.026 714 R CA -0.678 55.219 56.100 -0.338 0.000 1.087 714 R CB 0.791 30.812 30.300 -0.464 0.000 1.132 714 R HN 0.495 nan 8.270 nan 0.000 0.531 715 D N 0.762 120.773 120.400 -0.648 0.000 2.787 715 D HA 0.374 5.014 4.640 0.000 0.000 0.246 715 D C -0.806 174.899 176.300 -0.992 0.000 1.150 715 D CA -0.266 53.317 54.000 -0.694 0.000 0.864 715 D CB 1.349 41.889 40.800 -0.433 0.000 1.481 715 D HN 0.139 nan 8.370 nan 0.000 0.509 716 F N 1.321 120.687 119.950 -0.974 0.000 2.470 716 F HA 0.465 4.992 4.527 0.000 0.000 0.329 716 F C 1.038 176.393 175.800 -0.741 0.000 1.072 716 F CA -0.472 57.049 58.000 -0.800 0.000 0.989 716 F CB 1.580 39.866 39.000 -1.190 0.000 1.193 716 F HN 0.170 nan 8.300 nan 0.000 0.481 717 H N 1.527 120.724 119.070 0.211 0.000 2.941 717 H HA 0.477 5.033 4.556 0.000 0.000 0.344 717 H C -1.076 174.364 175.328 0.186 0.000 1.235 717 H CA -0.810 55.339 56.048 0.168 0.000 1.149 717 H CB 2.339 32.130 29.762 0.049 0.000 1.885 717 H HN 0.210 nan 8.280 nan 0.000 0.558 718 I N 2.407 123.091 120.570 0.190 0.000 2.312 718 I HA 0.015 4.185 4.170 0.000 0.000 0.290 718 I C 0.519 176.655 176.117 0.031 0.000 1.008 718 I CA -0.601 60.682 61.300 -0.028 0.000 1.226 718 I CB 0.399 38.361 38.000 -0.063 0.000 1.371 718 I HN 0.411 nan 8.210 nan 0.000 0.468 719 N N 6.634 125.339 118.700 0.009 0.000 2.438 719 N HA 0.069 4.809 4.740 0.000 0.000 0.267 719 N C 0.971 176.541 175.510 0.100 0.000 1.222 719 N CA 0.156 53.264 53.050 0.096 0.000 0.930 719 N CB 0.774 39.330 38.487 0.114 0.000 1.083 719 N HN 0.530 nan 8.380 nan 0.000 0.476 720 L N 2.894 124.176 121.223 0.098 0.000 2.191 720 L HA -0.139 4.201 4.340 0.000 0.000 0.212 720 L C 1.165 178.027 176.870 -0.014 0.000 1.103 720 L CA 0.920 55.768 54.840 0.013 0.000 0.769 720 L CB -0.342 41.663 42.059 -0.090 0.000 0.908 720 L HN 0.524 nan 8.230 nan 0.000 0.438 721 F N -0.381 119.608 119.950 0.065 0.000 2.722 721 F HA -0.120 4.407 4.527 0.000 0.000 0.298 721 F C 2.294 178.139 175.800 0.075 0.000 1.175 721 F CA 0.595 58.638 58.000 0.071 0.000 1.462 721 F CB -0.128 38.903 39.000 0.051 0.000 1.111 721 F HN 0.156 nan 8.300 nan 0.000 0.592 722 Q N -0.578 119.341 119.800 0.199 0.000 2.350 722 Q HA 0.146 4.486 4.340 0.000 0.000 0.225 722 Q C 1.563 177.680 176.000 0.195 0.000 0.878 722 Q CA 0.652 56.547 55.803 0.152 0.000 0.935 722 Q CB 0.679 29.442 28.738 0.041 0.000 1.099 722 Q HN 0.401 nan 8.270 nan 0.000 0.527 723 V N -2.628 117.400 119.914 0.191 0.000 3.085 723 V HA 0.233 4.353 4.120 0.000 0.000 0.345 723 V C 1.534 177.799 176.094 0.285 0.000 1.397 723 V CA 0.018 62.494 62.300 0.293 0.000 1.165 723 V CB -0.664 31.322 31.823 0.271 0.000 1.153 723 V HN 0.028 nan 8.190 nan 0.000 0.495 724 L N 0.244 121.570 121.223 0.172 0.000 2.012 724 L HA -0.030 4.310 4.340 0.000 0.000 0.210 724 L C 0.103 176.984 176.870 0.018 0.000 1.073 724 L CA 2.140 57.025 54.840 0.076 0.000 0.748 724 L CB -1.606 40.498 42.059 0.076 0.000 0.891 724 L HN 0.368 nan 8.230 nan 0.000 0.431 725 P HA -0.246 nan 4.420 nan 0.000 0.216 725 P C 1.138 178.455 177.300 0.029 0.000 1.154 725 P CA 1.550 64.675 63.100 0.041 0.000 0.865 725 P CB -0.135 31.625 31.700 0.100 0.000 0.789 726 W N 0.006 121.274 121.300 -0.052 0.000 2.409 726 W HA -0.069 4.591 4.660 0.000 0.000 0.299 726 W C 1.965 178.390 176.519 -0.157 0.000 1.203 726 W CA 1.183 58.476 57.345 -0.087 0.000 1.298 726 W CB -0.882 28.594 29.460 0.026 0.000 1.127 726 W HN -0.217 nan 8.180 nan 0.000 0.528 727 L N 0.809 121.912 121.223 -0.200 0.000 2.005 727 L HA -0.219 4.121 4.340 0.000 0.000 0.207 727 L C 2.682 179.057 176.870 -0.824 0.000 1.072 727 L CA 1.990 56.518 54.840 -0.520 0.000 0.744 727 L CB -1.138 40.796 42.059 -0.208 0.000 0.895 727 L HN -0.096 nan 8.230 nan 0.000 0.433 728 K N 0.306 120.141 120.400 -0.940 0.000 2.113 728 K HA -0.284 4.036 4.320 0.000 0.000 0.208 728 K C 2.031 178.226 176.600 -0.674 0.000 1.047 728 K CA 1.977 57.526 56.287 -1.230 0.000 0.928 728 K CB -0.015 32.053 32.500 -0.720 0.000 0.716 728 K HN 0.328 nan 8.250 nan 0.000 0.446 729 E N 0.196 120.108 120.200 -0.481 0.000 2.028 729 E HA -0.157 4.193 4.350 0.000 0.000 0.190 729 E C 1.566 177.932 176.600 -0.389 0.000 0.984 729 E CA 0.951 57.146 56.400 -0.342 0.000 0.800 729 E CB 0.192 29.745 29.700 -0.246 0.000 0.758 729 E HN 0.113 nan 8.360 nan 0.000 0.448 730 K N 0.242 120.302 120.400 -0.567 0.000 2.288 730 K HA -0.026 4.294 4.320 0.000 0.000 0.201 730 K C 1.746 177.968 176.600 -0.631 0.000 1.048 730 K CA 0.641 56.566 56.287 -0.603 0.000 0.956 730 K CB 0.080 32.046 32.500 -0.891 0.000 0.746 730 K HN 0.314 nan 8.250 nan 0.000 0.461 731 L N 1.567 122.440 121.223 -0.583 0.000 2.769 731 L HA 0.086 4.426 4.340 0.000 0.000 0.240 731 L C 2.081 178.871 176.870 -0.133 0.000 1.163 731 L CA -0.144 54.454 54.840 -0.403 0.000 0.962 731 L CB -0.112 41.797 42.059 -0.249 0.000 1.258 731 L HN 0.140 nan 8.230 nan 0.000 0.513 732 Q N -0.255 119.444 119.800 -0.169 0.000 2.152 732 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 732 Q C -0.021 175.980 176.000 0.001 0.000 0.985 732 Q CA 1.648 57.412 55.803 -0.065 0.000 0.863 732 Q CB -0.301 28.381 28.738 -0.092 0.000 0.904 732 Q HN 0.314 nan 8.270 nan 0.000 0.422 733 D N 0.578 120.974 120.400 -0.006 0.000 3.072 733 D HA 0.102 4.742 4.640 0.000 0.000 0.250 733 D C -0.019 176.315 176.300 0.057 0.000 1.304 733 D CA 0.064 54.075 54.000 0.018 0.000 0.861 733 D CB 0.521 41.317 40.800 -0.006 0.000 1.062 733 D HN 0.279 nan 8.370 nan 0.000 0.481 734 E N -0.106 120.146 120.200 0.086 0.000 2.641 734 E HA -0.004 4.346 4.350 0.000 0.000 0.224 734 E C 0.003 176.668 176.600 0.109 0.000 0.951 734 E CA -0.066 56.413 56.400 0.130 0.000 1.102 734 E CB 0.715 30.513 29.700 0.164 0.000 1.091 734 E HN 0.038 nan 8.360 nan 0.000 0.507 735 D N 0.700 121.149 120.400 0.082 0.000 2.772 735 D HA -0.196 4.444 4.640 0.000 0.000 0.233 735 D C 0.367 176.681 176.300 0.025 0.000 1.143 735 D CA 0.363 54.397 54.000 0.057 0.000 0.700 735 D CB -1.282 39.556 40.800 0.062 0.000 1.076 735 D HN 0.256 nan 8.370 nan 0.000 0.430 736 L N -0.471 120.754 121.223 0.002 0.000 2.529 736 L HA 0.249 4.590 4.340 0.000 0.000 0.223 736 L C 1.826 178.547 176.870 -0.248 0.000 1.113 736 L CA 0.401 55.147 54.840 -0.156 0.000 0.861 736 L CB -0.190 41.703 42.059 -0.277 0.000 1.012 736 L HN 0.402 nan 8.230 nan 0.000 0.461 737 G N 1.223 109.972 108.800 -0.085 0.000 2.367 737 G HA2 -0.296 3.664 3.960 0.000 0.000 0.295 737 G HA3 -0.296 3.664 3.960 0.000 0.000 0.295 737 G C -0.105 174.738 174.900 -0.095 0.000 1.019 737 G CA -0.255 44.818 45.100 -0.045 0.000 1.224 737 G HN 0.083 nan 8.290 nan 0.000 0.510 738 F N -0.714 119.220 119.950 -0.027 0.000 2.496 738 F HA 0.464 4.991 4.527 0.000 0.000 0.344 738 F C 1.549 177.342 175.800 -0.011 0.000 1.155 738 F CA -0.249 57.733 58.000 -0.029 0.000 1.302 738 F CB 0.537 39.510 39.000 -0.044 0.000 1.159 738 F HN 0.155 nan 8.300 nan 0.000 0.595 739 L N 2.387 123.719 121.223 0.181 0.000 2.334 739 L HA 0.409 4.750 4.340 0.000 0.000 0.277 739 L C 1.012 177.951 176.870 0.115 0.000 1.075 739 L CA -0.666 54.242 54.840 0.114 0.000 0.804 739 L CB 1.125 43.235 42.059 0.086 0.000 1.174 739 L HN 0.865 nan 8.230 nan 0.000 0.438 740 A N 3.639 126.508 122.820 0.082 0.000 1.830 740 A HA 0.224 4.545 4.320 0.000 0.000 0.214 740 A C 1.175 178.801 177.584 0.069 0.000 1.218 740 A CA 1.283 53.360 52.037 0.066 0.000 0.628 740 A CB -0.738 18.292 19.000 0.051 0.000 0.860 740 A HN 1.292 nan 8.150 nan 0.000 0.454 741 A N 0.000 122.858 122.820 0.064 0.000 2.254 741 A HA 0.000 4.320 4.320 0.000 0.000 0.244 741 A CA 0.000 52.077 52.037 0.067 0.000 0.836 741 A CB 0.000 19.051 19.000 0.085 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486