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 2p2q_1_B DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVE KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDXX XXXXXXTLAD PGVVEKLLEE KQAI 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 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.178 175.328 -0.251 0.000 0.993 5 H CA 0.000 55.928 56.048 -0.200 0.000 1.023 5 H CB 0.000 29.626 29.762 -0.226 0.000 1.292 6 K N 3.012 123.394 120.400 -0.029 0.000 2.156 6 K HA 0.304 4.624 4.320 0.001 0.000 0.254 6 K C -0.876 175.682 176.600 -0.069 0.000 0.950 6 K CA -1.012 55.250 56.287 -0.042 0.000 0.849 6 K CB 1.151 33.607 32.500 -0.074 0.000 1.100 6 K HN 0.522 nan 8.250 nan 0.000 0.434 7 H N 1.107 120.203 119.070 0.044 0.000 2.597 7 H HA 0.215 4.772 4.556 0.001 0.000 0.303 7 H C -0.232 175.152 175.328 0.094 0.000 1.057 7 H CA -0.453 55.629 56.048 0.057 0.000 1.261 7 H CB 1.432 31.166 29.762 -0.046 0.000 1.397 7 H HN 0.686 nan 8.280 nan 0.000 0.461 8 A N 4.317 127.245 122.820 0.180 0.000 2.386 8 A HA 0.229 4.550 4.320 0.001 0.000 0.248 8 A C 0.581 178.270 177.584 0.174 0.000 1.082 8 A CA -0.493 51.628 52.037 0.140 0.000 0.789 8 A CB 0.111 19.169 19.000 0.097 0.000 1.025 8 A HN 0.736 nan 8.150 nan 0.000 0.490 9 I N 2.661 123.308 120.570 0.129 0.000 2.517 9 I HA 0.146 4.317 4.170 0.001 0.000 0.285 9 I C -1.762 174.423 176.117 0.113 0.000 1.106 9 I CA -1.175 60.198 61.300 0.122 0.000 1.402 9 I CB 0.563 38.617 38.000 0.089 0.000 1.399 9 I HN 0.449 nan 8.210 nan 0.000 0.535 10 P HA 0.136 nan 4.420 nan 0.000 0.275 10 P C 0.388 177.727 177.300 0.065 0.000 1.228 10 P CA -0.370 62.788 63.100 0.096 0.000 0.786 10 P CB 1.055 32.809 31.700 0.090 0.000 0.927 11 A N 3.476 126.328 122.820 0.052 0.000 1.948 11 A HA -0.253 4.068 4.320 0.001 0.000 0.220 11 A C 1.955 179.555 177.584 0.028 0.000 1.177 11 A CA 2.005 54.065 52.037 0.039 0.000 0.636 11 A CB -1.319 17.700 19.000 0.031 0.000 0.815 11 A HN 0.769 nan 8.150 nan 0.000 0.449 12 N N 0.584 119.296 118.700 0.018 0.000 2.104 12 N HA -0.182 4.559 4.740 0.001 0.000 0.190 12 N C 1.531 177.043 175.510 0.005 0.000 1.024 12 N CA 2.049 55.100 53.050 0.002 0.000 0.853 12 N CB -0.533 37.946 38.487 -0.014 0.000 1.008 12 N HN 0.412 nan 8.380 nan 0.000 0.424 13 I N 1.832 122.416 120.570 0.023 0.000 2.233 13 I HA -0.066 4.105 4.170 0.001 0.000 0.243 13 I C 2.845 178.994 176.117 0.054 0.000 1.093 13 I CA 0.946 62.269 61.300 0.037 0.000 1.380 13 I CB -1.783 36.250 38.000 0.055 0.000 1.067 13 I HN 0.179 nan 8.210 nan 0.000 0.413 14 A N 1.037 123.889 122.820 0.055 0.000 1.940 14 A HA -0.345 3.975 4.320 0.001 0.000 0.221 14 A C 2.102 179.718 177.584 0.054 0.000 1.190 14 A CA 2.637 54.708 52.037 0.057 0.000 0.647 14 A CB -1.101 17.930 19.000 0.051 0.000 0.821 14 A HN 0.533 nan 8.150 nan 0.000 0.457 15 D N -0.717 119.709 120.400 0.042 0.000 2.144 15 D HA -0.164 4.476 4.640 0.001 0.000 0.200 15 D C 2.062 178.394 176.300 0.053 0.000 0.978 15 D CA 1.546 55.569 54.000 0.038 0.000 0.833 15 D CB -0.057 40.755 40.800 0.020 0.000 0.961 15 D HN 0.650 nan 8.370 nan 0.000 0.470 16 R N 0.007 120.541 120.500 0.056 0.000 2.404 16 R HA 0.214 4.554 4.340 0.001 0.000 0.237 16 R C 0.555 176.986 176.300 0.220 0.000 0.907 16 R CA 0.077 56.237 56.100 0.099 0.000 1.063 16 R CB -0.924 29.342 30.300 -0.057 0.000 1.134 16 R HN 0.244 nan 8.270 nan 0.000 0.529 17 C N 1.001 120.400 119.300 0.164 0.000 2.563 17 C HA 0.159 4.619 4.460 0.001 0.000 0.411 17 C C 1.960 177.062 174.990 0.187 0.000 1.386 17 C CA -0.837 58.297 59.018 0.194 0.000 1.703 17 C CB -0.242 27.579 27.740 0.135 0.000 2.596 17 C HN 0.499 nan 8.230 nan 0.000 0.605 18 L N 2.262 123.604 121.223 0.199 0.000 2.127 18 L HA 0.043 4.383 4.340 0.001 0.000 0.211 18 L C 0.917 177.861 176.870 0.124 0.000 1.089 18 L CA 1.419 56.360 54.840 0.168 0.000 0.757 18 L CB -0.390 41.829 42.059 0.267 0.000 0.899 18 L HN 0.733 nan 8.230 nan 0.000 0.434 19 I N 0.303 120.942 120.570 0.114 0.000 2.497 19 I HA 0.118 4.288 4.170 0.001 0.000 0.284 19 I C -0.693 175.483 176.117 0.098 0.000 1.060 19 I CA -0.778 60.564 61.300 0.069 0.000 1.071 19 I CB 1.562 39.577 38.000 0.025 0.000 1.216 19 I HN 0.108 nan 8.210 nan 0.000 0.442 20 N N 6.762 125.514 118.700 0.087 0.000 2.405 20 N HA 0.460 5.201 4.740 0.001 0.000 0.269 20 N C -2.321 173.253 175.510 0.107 0.000 1.249 20 N CA -1.820 51.282 53.050 0.086 0.000 0.974 20 N CB -0.038 38.492 38.487 0.071 0.000 1.204 20 N HN 0.079 nan 8.380 nan 0.000 0.565 21 P HA -0.174 nan 4.420 nan 0.000 0.215 21 P C 1.093 178.479 177.300 0.144 0.000 1.157 21 P CA 1.684 64.849 63.100 0.109 0.000 0.868 21 P CB 0.111 31.856 31.700 0.075 0.000 0.788 22 E N -0.097 120.163 120.200 0.100 0.000 2.072 22 E HA -0.241 4.110 4.350 0.001 0.000 0.191 22 E C 2.090 178.737 176.600 0.078 0.000 0.985 22 E CA 1.193 57.643 56.400 0.083 0.000 0.801 22 E CB -0.538 29.194 29.700 0.053 0.000 0.750 22 E HN 0.178 nan 8.360 nan 0.000 0.452 23 Q N -0.792 119.052 119.800 0.073 0.000 2.135 23 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 23 Q C 1.887 177.923 176.000 0.060 0.000 0.981 23 Q CA 1.793 57.618 55.803 0.037 0.000 0.856 23 Q CB -0.318 28.435 28.738 0.025 0.000 0.902 23 Q HN 0.466 nan 8.270 nan 0.000 0.425 24 Y N 1.567 121.910 120.300 0.072 0.000 2.145 24 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 24 Y C 2.006 178.001 175.900 0.157 0.000 1.145 24 Y CA 1.581 59.783 58.100 0.171 0.000 1.148 24 Y CB 0.105 38.623 38.460 0.098 0.000 0.981 24 Y HN 0.036 nan 8.280 nan 0.000 0.507 25 E N -0.497 119.771 120.200 0.114 0.000 2.077 25 E HA -0.157 4.193 4.350 0.001 0.000 0.193 25 E C 2.188 178.763 176.600 -0.041 0.000 0.989 25 E CA 1.791 58.217 56.400 0.043 0.000 0.800 25 E CB -0.643 29.126 29.700 0.115 0.000 0.746 25 E HN 0.507 nan 8.360 nan 0.000 0.452 26 T N 1.532 116.055 114.554 -0.052 0.000 2.770 26 T HA -0.068 4.283 4.350 0.001 0.000 0.263 26 T C 1.882 176.477 174.700 -0.175 0.000 1.039 26 T CA 1.087 63.137 62.100 -0.083 0.000 1.142 26 T CB -0.008 68.825 68.868 -0.057 0.000 0.868 26 T HN 0.127 nan 8.240 nan 0.000 0.435 27 K N 0.029 120.262 120.400 -0.279 0.000 2.097 27 K HA -0.064 4.256 4.320 0.001 0.000 0.205 27 K C 2.145 178.334 176.600 -0.685 0.000 1.050 27 K CA 1.072 57.063 56.287 -0.494 0.000 0.938 27 K CB -0.324 31.632 32.500 -0.907 0.000 0.718 27 K HN 0.342 nan 8.250 nan 0.000 0.442 28 Y N 2.414 122.353 120.300 -0.602 0.000 2.097 28 Y HA -0.358 4.193 4.550 0.001 0.000 0.282 28 Y C 2.631 178.309 175.900 -0.370 0.000 1.152 28 Y CA 2.911 60.729 58.100 -0.469 0.000 1.136 28 Y CB -0.548 37.562 38.460 -0.584 0.000 0.975 28 Y HN 0.014 nan 8.280 nan 0.000 0.498 29 K N 0.621 120.880 120.400 -0.235 0.000 2.032 29 K HA -0.250 4.070 4.320 0.001 0.000 0.209 29 K C 2.129 178.560 176.600 -0.282 0.000 1.048 29 K CA 1.942 58.111 56.287 -0.197 0.000 0.927 29 K CB -1.193 31.276 32.500 -0.053 0.000 0.712 29 K HN 0.696 nan 8.250 nan 0.000 0.441 30 Q N 0.522 120.150 119.800 -0.286 0.000 2.084 30 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 30 Q C 2.455 178.239 176.000 -0.361 0.000 0.978 30 Q CA 2.287 57.956 55.803 -0.223 0.000 0.844 30 Q CB -0.203 28.480 28.738 -0.092 0.000 0.898 30 Q HN 0.805 nan 8.270 nan 0.000 0.426 31 S N -0.259 114.942 115.700 -0.831 0.000 2.419 31 S HA -0.121 4.349 4.470 0.001 0.000 0.233 31 S C 1.802 176.134 174.600 -0.448 0.000 1.016 31 S CA 0.890 58.440 58.200 -1.083 0.000 0.974 31 S CB -0.167 61.987 63.200 -1.743 0.000 0.786 31 S HN 0.296 nan 8.310 nan 0.000 0.492 32 I N 2.989 123.276 120.570 -0.472 0.000 2.296 32 I HA 0.059 4.230 4.170 0.001 0.000 0.242 32 I C 2.040 178.086 176.117 -0.119 0.000 1.087 32 I CA 0.686 61.817 61.300 -0.281 0.000 1.393 32 I CB -1.711 36.045 38.000 -0.407 0.000 1.093 32 I HN 0.284 nan 8.210 nan 0.000 0.421 33 N N 0.504 119.132 118.700 -0.120 0.000 2.216 33 N HA -0.121 4.620 4.740 0.001 0.000 0.183 33 N C 0.446 175.945 175.510 -0.019 0.000 1.017 33 N CA 1.072 54.092 53.050 -0.050 0.000 0.861 33 N CB -0.014 38.446 38.487 -0.045 0.000 0.986 33 N HN 0.280 nan 8.380 nan 0.000 0.428 34 D N -0.582 119.808 120.400 -0.016 0.000 2.656 34 D HA 0.192 4.833 4.640 0.001 0.000 0.303 34 D C -1.986 174.379 176.300 0.110 0.000 1.199 34 D CA -1.804 52.218 54.000 0.038 0.000 0.797 34 D CB 0.971 41.790 40.800 0.032 0.000 1.170 34 D HN -0.044 nan 8.370 nan 0.000 0.509 35 P HA -0.096 nan 4.420 nan 0.000 0.218 35 P C 0.860 178.421 177.300 0.434 0.000 1.148 35 P CA 0.794 64.129 63.100 0.391 0.000 0.822 35 P CB 0.742 32.733 31.700 0.486 0.000 0.784 36 D N -0.536 120.006 120.400 0.236 0.000 2.084 36 D HA -0.114 4.527 4.640 0.001 0.000 0.194 36 D C 2.003 178.426 176.300 0.205 0.000 0.990 36 D CA 1.632 55.742 54.000 0.183 0.000 0.826 36 D CB -1.006 39.840 40.800 0.076 0.000 0.971 36 D HN 0.128 nan 8.370 nan 0.000 0.453 37 T N 0.202 114.851 114.554 0.158 0.000 2.701 37 T HA -0.136 4.215 4.350 0.001 0.000 0.263 37 T C 1.771 176.551 174.700 0.133 0.000 1.040 37 T CA 0.853 63.027 62.100 0.125 0.000 1.147 37 T CB -0.614 68.300 68.868 0.078 0.000 0.865 37 T HN 0.139 nan 8.240 nan 0.000 0.426 38 F N 0.285 120.229 119.950 -0.010 0.000 2.046 38 F HA -0.114 4.413 4.527 0.001 0.000 0.297 38 F C 1.807 177.548 175.800 -0.099 0.000 1.123 38 F CA 1.369 59.276 58.000 -0.156 0.000 1.199 38 F CB -0.381 38.415 39.000 -0.340 0.000 0.972 38 F HN 0.194 nan 8.300 nan 0.000 0.474 39 W N 0.237 121.761 121.300 0.374 0.000 2.800 39 W HA 0.128 4.789 4.660 0.001 0.000 0.249 39 W C 2.442 179.152 176.519 0.318 0.000 1.294 39 W CA 0.598 58.143 57.345 0.333 0.000 1.402 39 W CB -0.748 28.987 29.460 0.459 0.000 1.126 39 W HN 0.142 nan 8.180 nan 0.000 0.652 40 G N 0.688 109.746 108.800 0.430 0.000 2.394 40 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 40 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 40 G C 1.265 176.355 174.900 0.315 0.000 1.165 40 G CA 0.912 46.272 45.100 0.432 0.000 0.784 40 G HN 0.292 nan 8.290 nan 0.000 0.535 41 E N -0.375 119.894 120.200 0.116 0.000 2.076 41 E HA -0.088 4.263 4.350 0.001 0.000 0.190 41 E C 2.529 179.136 176.600 0.011 0.000 0.979 41 E CA 0.684 57.090 56.400 0.010 0.000 0.807 41 E CB -0.082 29.551 29.700 -0.112 0.000 0.761 41 E HN 0.197 nan 8.360 nan 0.000 0.454 42 Q N 0.677 120.444 119.800 -0.055 0.000 2.172 42 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 42 Q C 2.094 178.247 176.000 0.254 0.000 0.964 42 Q CA 1.436 57.230 55.803 -0.016 0.000 0.855 42 Q CB -0.682 27.869 28.738 -0.312 0.000 0.918 42 Q HN 0.329 nan 8.270 nan 0.000 0.444 43 G N 0.435 109.462 108.800 0.378 0.000 2.527 43 G HA2 -0.202 3.759 3.960 0.001 0.000 0.219 43 G HA3 -0.202 3.759 3.960 0.001 0.000 0.219 43 G C 1.096 176.256 174.900 0.433 0.000 1.117 43 G CA 0.420 45.731 45.100 0.352 0.000 0.759 43 G HN 0.193 nan 8.290 nan 0.000 0.556 44 K N 0.239 120.813 120.400 0.291 0.000 2.555 44 K HA 0.153 4.474 4.320 0.001 0.000 0.193 44 K C 1.816 178.535 176.600 0.198 0.000 1.032 44 K CA -0.174 56.254 56.287 0.236 0.000 1.004 44 K CB -0.223 32.341 32.500 0.106 0.000 0.804 44 K HN 0.492 nan 8.250 nan 0.000 0.496 45 I N 0.370 121.058 120.570 0.196 0.000 2.614 45 I HA -0.132 4.038 4.170 0.001 0.000 0.258 45 I C 0.173 176.349 176.117 0.098 0.000 1.189 45 I CA 0.662 62.039 61.300 0.128 0.000 1.462 45 I CB 0.314 38.383 38.000 0.117 0.000 1.092 45 I HN 0.000 nan 8.210 nan 0.000 0.442 46 L N 0.751 122.056 121.223 0.138 0.000 2.344 46 L HA 0.341 4.681 4.340 0.001 0.000 0.272 46 L C -0.588 176.289 176.870 0.010 0.000 1.035 46 L CA -1.048 53.777 54.840 -0.025 0.000 0.807 46 L CB 0.857 42.770 42.059 -0.243 0.000 1.237 46 L HN -0.095 nan 8.230 nan 0.000 0.442 47 D N 0.715 121.047 120.400 -0.114 0.000 2.350 47 D HA 0.228 4.868 4.640 0.001 0.000 0.249 47 D C -1.045 175.138 176.300 -0.195 0.000 1.119 47 D CA 0.336 54.303 54.000 -0.055 0.000 0.886 47 D CB 0.685 41.432 40.800 -0.089 0.000 1.195 47 D HN 0.145 nan 8.370 nan 0.000 0.437 48 W N 2.183 123.456 121.300 -0.045 0.000 2.573 48 W HA 0.402 5.063 4.660 0.001 0.000 0.326 48 W C 1.216 177.714 176.519 -0.034 0.000 1.049 48 W CA -0.700 56.624 57.345 -0.035 0.000 1.220 48 W CB 0.699 30.123 29.460 -0.061 0.000 1.373 48 W HN 0.278 nan 8.180 nan 0.000 0.507 49 I N 1.145 121.809 120.570 0.157 0.000 2.130 49 I HA -0.111 4.060 4.170 0.001 0.000 0.234 49 I C 1.425 177.613 176.117 0.118 0.000 1.067 49 I CA 1.263 62.622 61.300 0.098 0.000 1.339 49 I CB -0.732 37.303 38.000 0.057 0.000 1.073 49 I HN 0.370 nan 8.210 nan 0.000 0.405 50 T N 1.894 116.540 114.554 0.154 0.000 2.771 50 T HA 0.395 4.746 4.350 0.001 0.000 0.281 50 T C -2.560 172.226 174.700 0.143 0.000 0.982 50 T CA -2.232 59.937 62.100 0.116 0.000 0.978 50 T CB 1.610 70.528 68.868 0.083 0.000 0.930 50 T HN -0.074 nan 8.240 nan 0.000 0.447 51 P HA 0.141 nan 4.420 nan 0.000 0.271 51 P C -0.479 176.675 177.300 -0.242 0.000 1.216 51 P CA -0.322 62.640 63.100 -0.230 0.000 0.776 51 P CB 0.130 31.664 31.700 -0.277 0.000 0.881 52 Y N -0.431 119.686 120.300 -0.305 0.000 2.357 52 Y HA 0.306 4.857 4.550 0.001 0.000 0.340 52 Y C 1.610 177.447 175.900 -0.105 0.000 1.260 52 Y CA -0.494 57.496 58.100 -0.184 0.000 1.425 52 Y CB -0.317 38.004 38.460 -0.232 0.000 1.326 52 Y HN 0.273 nan 8.280 nan 0.000 0.580 53 Q N 1.053 120.952 119.800 0.166 0.000 2.619 53 Q HA 0.206 4.547 4.340 0.001 0.000 0.230 53 Q C 0.747 176.841 176.000 0.158 0.000 0.871 53 Q CA 0.805 56.678 55.803 0.117 0.000 0.934 53 Q CB -0.161 28.605 28.738 0.047 0.000 1.183 53 Q HN 0.880 nan 8.270 nan 0.000 0.631 54 K N 0.600 121.066 120.400 0.111 0.000 2.368 54 K HA 0.461 4.781 4.320 0.001 0.000 0.282 54 K C 0.722 177.326 176.600 0.007 0.000 1.035 54 K CA 0.446 56.754 56.287 0.034 0.000 0.973 54 K CB 0.448 32.939 32.500 -0.014 0.000 0.957 54 K HN 0.225 nan 8.250 nan 0.000 0.474 55 V N 1.878 121.748 119.914 -0.073 0.000 2.785 55 V HA 0.195 4.315 4.120 0.001 0.000 0.226 55 V C 0.957 176.781 176.094 -0.450 0.000 1.127 55 V CA 0.662 62.838 62.300 -0.208 0.000 1.193 55 V CB 0.062 31.880 31.823 -0.008 0.000 0.926 55 V HN 0.836 nan 8.190 nan 0.000 0.507 56 K N 2.116 122.206 120.400 -0.516 0.000 2.281 56 K HA 0.279 4.600 4.320 0.001 0.000 0.272 56 K C -0.779 175.426 176.600 -0.658 0.000 1.048 56 K CA -0.171 55.511 56.287 -1.009 0.000 0.898 56 K CB 0.349 32.273 32.500 -0.961 0.000 1.128 56 K HN 0.322 nan 8.250 nan 0.000 0.460 57 N N 3.379 121.664 118.700 -0.693 0.000 2.762 57 N HA 0.146 4.887 4.740 0.001 0.000 0.252 57 N C -1.842 173.424 175.510 -0.407 0.000 1.269 57 N CA -0.289 52.509 53.050 -0.421 0.000 0.799 57 N CB 1.154 39.475 38.487 -0.276 0.000 1.173 57 N HN 0.688 nan 8.380 nan 0.000 0.516 58 T N -1.622 112.693 114.554 -0.398 0.000 2.906 58 T HA 0.789 5.139 4.350 0.001 0.000 0.295 58 T C -0.780 173.780 174.700 -0.233 0.000 1.075 58 T CA -0.846 61.067 62.100 -0.311 0.000 1.005 58 T CB 1.817 70.461 68.868 -0.373 0.000 1.136 58 T HN 0.105 nan 8.240 nan 0.000 0.498 59 S N 0.290 115.905 115.700 -0.142 0.000 2.584 59 S HA 0.465 4.935 4.470 0.001 0.000 0.280 59 S C -1.017 173.656 174.600 0.122 0.000 1.162 59 S CA -0.913 57.237 58.200 -0.083 0.000 0.951 59 S CB 0.604 63.776 63.200 -0.047 0.000 1.108 59 S HN 0.728 nan 8.310 nan 0.000 0.464 60 F N 2.535 122.451 119.950 -0.056 0.000 2.639 60 F HA 0.352 4.879 4.527 0.001 0.000 0.300 60 F C 1.476 177.251 175.800 -0.041 0.000 1.109 60 F CA -0.581 57.353 58.000 -0.110 0.000 1.335 60 F CB 0.348 39.440 39.000 0.154 0.000 1.014 60 F HN 0.714 nan 8.300 nan 0.000 0.537 61 A N 1.704 124.606 122.820 0.136 0.000 2.520 61 A HA 0.227 4.548 4.320 0.001 0.000 0.245 61 A C -2.281 175.352 177.584 0.082 0.000 1.072 61 A CA -1.256 50.842 52.037 0.101 0.000 0.761 61 A CB -0.405 18.630 19.000 0.059 0.000 1.004 61 A HN -0.011 nan 8.150 nan 0.000 0.499 62 P HA 0.139 nan 4.420 nan 0.000 0.260 62 P C 1.042 178.377 177.300 0.059 0.000 1.172 62 P CA 2.038 65.185 63.100 0.079 0.000 0.760 62 P CB 0.371 32.115 31.700 0.073 0.000 0.773 63 G N 2.932 111.767 108.800 0.058 0.000 2.179 63 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 63 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 63 G C 0.401 175.341 174.900 0.066 0.000 1.010 63 G CA 0.364 45.499 45.100 0.059 0.000 0.736 63 G HN 0.725 nan 8.290 nan 0.000 0.513 64 N N -1.078 117.662 118.700 0.066 0.000 2.528 64 N HA 0.197 4.938 4.740 0.001 0.000 0.266 64 N C -0.040 175.509 175.510 0.065 0.000 1.528 64 N CA -0.402 52.687 53.050 0.065 0.000 0.959 64 N CB 0.643 39.153 38.487 0.038 0.000 1.430 64 N HN 0.071 nan 8.380 nan 0.000 0.511 65 V N 1.367 121.332 119.914 0.085 0.000 2.521 65 V HA 0.243 4.363 4.120 0.001 0.000 0.286 65 V C 0.334 176.537 176.094 0.182 0.000 1.034 65 V CA 0.463 62.786 62.300 0.039 0.000 1.045 65 V CB 1.085 32.764 31.823 -0.240 0.000 0.974 65 V HN 0.285 nan 8.190 nan 0.000 0.480 66 S N 5.788 121.543 115.700 0.091 0.000 2.614 66 S HA 0.702 5.172 4.470 0.001 0.000 0.275 66 S C -1.113 173.499 174.600 0.019 0.000 1.161 66 S CA -0.551 57.676 58.200 0.046 0.000 0.969 66 S CB 0.872 64.057 63.200 -0.026 0.000 1.059 66 S HN 0.506 nan 8.310 nan 0.000 0.482 67 I N 4.400 124.984 120.570 0.023 0.000 2.410 67 I HA 0.518 4.688 4.170 0.001 0.000 0.286 67 I C -0.434 175.654 176.117 -0.048 0.000 1.009 67 I CA -0.343 60.957 61.300 0.000 0.000 1.111 67 I CB 1.792 39.851 38.000 0.099 0.000 1.262 67 I HN 0.429 nan 8.210 nan 0.000 0.443 68 K N 4.975 125.275 120.400 -0.167 0.000 2.468 68 K HA 0.608 4.928 4.320 0.001 0.000 0.252 68 K C -1.904 174.506 176.600 -0.316 0.000 0.932 68 K CA -0.662 55.541 56.287 -0.140 0.000 0.794 68 K CB 2.330 34.751 32.500 -0.132 0.000 1.241 68 K HN 0.347 nan 8.250 nan 0.000 0.428 69 W N 2.047 123.237 121.300 -0.183 0.000 2.998 69 W HA 0.274 4.934 4.660 0.001 0.000 0.335 69 W C -0.559 175.830 176.519 -0.216 0.000 1.110 69 W CA -0.229 56.899 57.345 -0.362 0.000 1.230 69 W CB 0.883 30.066 29.460 -0.461 0.000 1.405 69 W HN 0.664 nan 8.180 nan 0.000 0.493 70 Y N 0.403 120.733 120.300 0.049 0.000 3.721 70 Y HA -0.398 4.153 4.550 0.001 0.000 0.218 70 Y C 1.982 177.928 175.900 0.077 0.000 1.188 70 Y CA 1.079 59.124 58.100 -0.091 0.000 1.607 70 Y CB -1.366 36.988 38.460 -0.178 0.000 1.496 70 Y HN 0.622 nan 8.280 nan 0.000 0.626 71 E N 0.893 121.180 120.200 0.145 0.000 2.204 71 E HA -0.218 4.133 4.350 0.001 0.000 0.195 71 E C 1.175 177.862 176.600 0.144 0.000 0.990 71 E CA 1.663 58.139 56.400 0.127 0.000 0.821 71 E CB -0.124 29.598 29.700 0.036 0.000 0.750 71 E HN 0.699 nan 8.360 nan 0.000 0.477 72 D N 0.990 121.479 120.400 0.148 0.000 2.339 72 D HA 0.115 4.755 4.640 0.001 0.000 0.217 72 D C 0.726 177.137 176.300 0.185 0.000 1.050 72 D CA 0.188 54.268 54.000 0.135 0.000 0.856 72 D CB 0.005 40.860 40.800 0.091 0.000 0.922 72 D HN 0.187 nan 8.370 nan 0.000 0.518 73 G N -0.170 108.804 108.800 0.290 0.000 2.425 73 G HA2 0.513 4.474 3.960 0.001 0.000 0.302 73 G HA3 0.513 4.474 3.960 0.001 0.000 0.302 73 G C -0.227 174.955 174.900 0.470 0.000 1.159 73 G CA -0.419 44.919 45.100 0.398 0.000 0.865 73 G HN 0.211 nan 8.290 nan 0.000 0.515 74 T N -1.303 113.515 114.554 0.440 0.000 2.908 74 T HA 0.767 5.118 4.350 0.001 0.000 0.290 74 T C -0.304 174.515 174.700 0.199 0.000 1.034 74 T CA -0.619 61.647 62.100 0.275 0.000 1.010 74 T CB 1.587 70.543 68.868 0.148 0.000 1.068 74 T HN 1.294 nan 8.240 nan 0.000 0.481 75 L N -0.623 120.593 121.223 -0.013 0.000 2.933 75 L HA 0.801 5.141 4.340 0.001 0.000 0.271 75 L C -1.891 174.891 176.870 -0.147 0.000 1.071 75 L CA -1.284 53.433 54.840 -0.206 0.000 0.938 75 L CB 1.950 43.615 42.059 -0.657 0.000 1.534 75 L HN 0.805 nan 8.230 nan 0.000 0.396 76 N N -0.314 118.287 118.700 -0.166 0.000 2.371 76 N HA 0.422 5.162 4.740 0.001 0.000 0.291 76 N C 0.135 175.569 175.510 -0.127 0.000 1.053 76 N CA -0.743 52.245 53.050 -0.104 0.000 0.870 76 N CB 2.363 40.826 38.487 -0.040 0.000 1.503 76 N HN 0.868 nan 8.380 nan 0.000 0.485 77 L N 4.029 125.181 121.223 -0.117 0.000 2.056 77 L HA 0.073 4.414 4.340 0.001 0.000 0.207 77 L C 1.982 178.822 176.870 -0.050 0.000 1.078 77 L CA 1.981 56.746 54.840 -0.125 0.000 0.749 77 L CB -0.255 41.695 42.059 -0.181 0.000 0.901 77 L HN 0.741 nan 8.230 nan 0.000 0.433 78 A N 0.136 122.954 122.820 -0.003 0.000 1.908 78 A HA -0.202 4.119 4.320 0.001 0.000 0.218 78 A C 2.473 180.100 177.584 0.071 0.000 1.181 78 A CA 1.849 53.925 52.037 0.065 0.000 0.627 78 A CB -1.133 17.911 19.000 0.074 0.000 0.818 78 A HN 0.623 nan 8.150 nan 0.000 0.445 79 A N -0.079 122.756 122.820 0.025 0.000 1.933 79 A HA -0.196 4.125 4.320 0.001 0.000 0.218 79 A C 1.970 179.513 177.584 -0.069 0.000 1.175 79 A CA 1.631 53.668 52.037 0.000 0.000 0.628 79 A CB -0.612 18.372 19.000 -0.027 0.000 0.814 79 A HN 0.614 nan 8.150 nan 0.000 0.444 80 N N -0.726 117.921 118.700 -0.088 0.000 2.331 80 N HA -0.094 4.646 4.740 0.001 0.000 0.180 80 N C 1.330 176.825 175.510 -0.025 0.000 1.019 80 N CA 1.395 54.371 53.050 -0.123 0.000 0.881 80 N CB -0.188 38.211 38.487 -0.146 0.000 0.972 80 N HN 0.502 nan 8.380 nan 0.000 0.435 81 C N -0.195 119.160 119.300 0.092 0.000 2.673 81 C HA 0.324 4.785 4.460 0.001 0.000 0.264 81 C C 2.151 177.402 174.990 0.436 0.000 1.304 81 C CA -0.139 59.036 59.018 0.261 0.000 1.727 81 C CB -0.582 27.294 27.740 0.227 0.000 1.932 81 C HN 0.312 nan 8.230 nan 0.000 0.563 82 L N -0.790 120.608 121.223 0.291 0.000 3.610 82 L HA 0.224 4.564 4.340 0.001 0.000 0.178 82 L C 1.631 178.595 176.870 0.158 0.000 1.158 82 L CA 0.124 55.183 54.840 0.365 0.000 0.852 82 L CB -0.838 41.435 42.059 0.358 0.000 1.595 82 L HN -0.114 nan 8.230 nan 0.000 0.621 83 D N 1.378 121.835 120.400 0.094 0.000 2.149 83 D HA -0.230 4.411 4.640 0.001 0.000 0.194 83 D C 1.891 178.094 176.300 -0.162 0.000 1.001 83 D CA 1.731 55.688 54.000 -0.073 0.000 0.849 83 D CB -0.301 40.507 40.800 0.013 0.000 0.939 83 D HN 0.351 nan 8.370 nan 0.000 0.449 84 R N -0.127 120.218 120.500 -0.258 0.000 2.280 84 R HA -0.015 4.326 4.340 0.001 0.000 0.207 84 R C 1.047 177.114 176.300 -0.389 0.000 1.043 84 R CA 0.965 56.860 56.100 -0.340 0.000 1.006 84 R CB -0.379 29.686 30.300 -0.393 0.000 0.885 84 R HN 0.334 nan 8.270 nan 0.000 0.467 85 H N 0.388 119.354 119.070 -0.173 0.000 2.575 85 H HA 0.180 4.736 4.556 0.001 0.000 0.267 85 H C 1.808 177.018 175.328 -0.196 0.000 0.966 85 H CA 0.215 56.097 56.048 -0.278 0.000 1.165 85 H CB 0.420 29.794 29.762 -0.647 0.000 1.433 85 H HN 0.196 nan 8.280 nan 0.000 0.544 86 L N 0.265 121.449 121.223 -0.064 0.000 2.109 86 L HA -0.139 4.202 4.340 0.001 0.000 0.207 86 L C 2.679 179.527 176.870 -0.036 0.000 1.086 86 L CA 1.005 55.814 54.840 -0.052 0.000 0.760 86 L CB -0.268 41.706 42.059 -0.142 0.000 0.910 86 L HN 0.242 nan 8.230 nan 0.000 0.437 87 Q N 0.665 120.437 119.800 -0.047 0.000 2.020 87 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 87 Q C 1.557 177.551 176.000 -0.010 0.000 0.982 87 Q CA 1.784 57.569 55.803 -0.029 0.000 0.838 87 Q CB 0.193 28.910 28.738 -0.034 0.000 0.899 87 Q HN 0.533 nan 8.270 nan 0.000 0.423 88 E N -1.098 119.098 120.200 -0.007 0.000 2.476 88 E HA 0.075 4.425 4.350 0.001 0.000 0.199 88 E C 0.004 176.613 176.600 0.015 0.000 1.021 88 E CA 0.080 56.484 56.400 0.007 0.000 0.907 88 E CB 0.540 30.246 29.700 0.010 0.000 0.974 88 E HN 0.331 nan 8.360 nan 0.000 0.489 89 N N -0.634 118.071 118.700 0.008 0.000 2.301 89 N HA 0.065 4.806 4.740 0.001 0.000 0.247 89 N C 1.060 176.604 175.510 0.056 0.000 1.347 89 N CA -0.019 53.039 53.050 0.013 0.000 0.844 89 N CB 1.279 39.737 38.487 -0.049 0.000 1.332 89 N HN 0.090 nan 8.380 nan 0.000 0.494 90 G N 1.045 109.885 108.800 0.067 0.000 2.513 90 G HA2 -0.291 3.669 3.960 0.001 0.000 0.219 90 G HA3 -0.291 3.669 3.960 0.001 0.000 0.219 90 G C 1.054 176.048 174.900 0.156 0.000 1.160 90 G CA 1.171 46.339 45.100 0.113 0.000 0.767 90 G HN 0.291 nan 8.290 nan 0.000 0.571 91 D N -0.110 120.360 120.400 0.118 0.000 2.355 91 D HA 0.023 4.663 4.640 0.001 0.000 0.218 91 D C 1.372 177.756 176.300 0.141 0.000 1.004 91 D CA -0.086 53.982 54.000 0.113 0.000 0.880 91 D CB 0.108 40.954 40.800 0.078 0.000 0.911 91 D HN 0.327 nan 8.370 nan 0.000 0.528 92 R N 1.429 122.040 120.500 0.186 0.000 2.570 92 R HA 0.044 4.385 4.340 0.001 0.000 0.277 92 R C -0.350 176.103 176.300 0.254 0.000 1.039 92 R CA 0.093 56.328 56.100 0.224 0.000 1.065 92 R CB 0.334 30.777 30.300 0.240 0.000 0.964 92 R HN -0.260 nan 8.270 nan 0.000 0.428 93 T N 4.649 119.308 114.554 0.175 0.000 2.793 93 T HA 0.096 4.447 4.350 0.001 0.000 0.289 93 T C 1.074 175.765 174.700 -0.014 0.000 0.956 93 T CA 0.245 62.400 62.100 0.092 0.000 1.177 93 T CB 1.233 70.183 68.868 0.137 0.000 0.897 93 T HN 0.771 nan 8.240 nan 0.000 0.533 94 A N 4.751 127.390 122.820 -0.300 0.000 1.861 94 A HA 0.321 4.642 4.320 0.001 0.000 0.212 94 A C 0.811 178.208 177.584 -0.312 0.000 1.199 94 A CA 0.579 52.204 52.037 -0.687 0.000 0.613 94 A CB 0.073 18.317 19.000 -1.260 0.000 0.846 94 A HN 0.769 nan 8.150 nan 0.000 0.446 95 I N 0.121 120.553 120.570 -0.230 0.000 2.465 95 I HA 0.377 4.547 4.170 0.001 0.000 0.291 95 I C -1.269 174.750 176.117 -0.164 0.000 1.014 95 I CA -0.440 60.768 61.300 -0.152 0.000 1.093 95 I CB 2.084 40.008 38.000 -0.126 0.000 1.267 95 I HN 0.102 nan 8.210 nan 0.000 0.431 96 I N 4.896 125.329 120.570 -0.227 0.000 2.312 96 I HA 0.176 4.347 4.170 0.001 0.000 0.290 96 I C -0.979 174.977 176.117 -0.268 0.000 1.008 96 I CA -0.317 60.726 61.300 -0.428 0.000 1.226 96 I CB 0.982 38.556 38.000 -0.710 0.000 1.371 96 I HN 0.557 nan 8.210 nan 0.000 0.468 97 W N 7.840 128.935 121.300 -0.341 0.000 2.335 97 W HA 0.414 5.074 4.660 0.001 0.000 0.307 97 W C -0.132 176.267 176.519 -0.199 0.000 1.117 97 W CA -0.524 56.684 57.345 -0.228 0.000 1.228 97 W CB 1.022 30.388 29.460 -0.157 0.000 1.240 97 W HN 0.369 nan 8.180 nan 0.000 0.468 98 E N 4.511 124.278 120.200 -0.721 0.000 2.145 98 E HA 0.533 4.883 4.350 0.001 0.000 0.270 98 E C 0.302 176.315 176.600 -0.978 0.000 0.906 98 E CA -0.630 55.398 56.400 -0.620 0.000 0.761 98 E CB 1.112 30.641 29.700 -0.285 0.000 1.116 98 E HN 0.545 nan 8.360 nan 0.000 0.408 99 G N 3.230 111.386 108.800 -1.074 0.000 2.594 99 G HA2 -0.033 3.928 3.960 0.001 0.000 0.243 99 G HA3 -0.033 3.928 3.960 0.001 0.000 0.243 99 G C 0.563 175.291 174.900 -0.286 0.000 1.229 99 G CA -0.116 44.432 45.100 -0.920 0.000 0.843 99 G HN 0.768 nan 8.290 nan 0.000 0.578 100 D N -0.521 119.752 120.400 -0.212 0.000 2.133 100 D HA -0.174 4.467 4.640 0.001 0.000 0.192 100 D C 0.783 177.172 176.300 0.148 0.000 1.001 100 D CA 1.351 55.318 54.000 -0.054 0.000 0.844 100 D CB 0.124 40.864 40.800 -0.101 0.000 0.944 100 D HN 0.360 nan 8.370 nan 0.000 0.447 101 D N -0.982 119.472 120.400 0.089 0.000 2.313 101 D HA 0.042 4.683 4.640 0.001 0.000 0.239 101 D C 0.805 177.125 176.300 0.034 0.000 1.142 101 D CA 0.129 54.197 54.000 0.113 0.000 0.847 101 D CB 1.259 42.119 40.800 0.100 0.000 1.082 101 D HN -0.074 nan 8.370 nan 0.000 0.480 102 T N 1.923 116.499 114.554 0.037 0.000 2.849 102 T HA -0.200 4.151 4.350 0.001 0.000 0.270 102 T C 1.831 176.520 174.700 -0.019 0.000 1.066 102 T CA 2.166 64.259 62.100 -0.012 0.000 1.130 102 T CB -0.158 68.692 68.868 -0.030 0.000 0.864 102 T HN 0.507 nan 8.240 nan 0.000 0.481 103 S N 0.020 115.722 115.700 0.003 0.000 2.469 103 S HA -0.014 4.457 4.470 0.001 0.000 0.238 103 S C 0.824 175.444 174.600 0.034 0.000 0.998 103 S CA 0.368 58.577 58.200 0.015 0.000 0.957 103 S CB -0.353 62.860 63.200 0.022 0.000 0.764 103 S HN 0.681 nan 8.310 nan 0.000 0.514 104 Q N 1.663 121.477 119.800 0.023 0.000 2.314 104 Q HA 0.587 4.927 4.340 0.001 0.000 0.259 104 Q C -0.886 175.123 176.000 0.014 0.000 0.951 104 Q CA -0.370 55.482 55.803 0.082 0.000 0.909 104 Q CB 1.681 30.511 28.738 0.153 0.000 1.236 104 Q HN 0.529 nan 8.270 nan 0.000 0.444 105 S N 2.134 117.931 115.700 0.161 0.000 2.583 105 S HA 0.402 4.872 4.470 0.001 0.000 0.294 105 S C -1.400 173.369 174.600 0.281 0.000 1.121 105 S CA -1.099 57.206 58.200 0.176 0.000 0.910 105 S CB 1.174 64.407 63.200 0.056 0.000 1.102 105 S HN 0.454 nan 8.310 nan 0.000 0.451 106 K N 2.344 122.956 120.400 0.354 0.000 2.156 106 K HA 0.475 4.796 4.320 0.001 0.000 0.254 106 K C -0.709 175.971 176.600 0.132 0.000 0.950 106 K CA -0.864 55.563 56.287 0.235 0.000 0.849 106 K CB 1.005 33.601 32.500 0.159 0.000 1.100 106 K HN 0.678 nan 8.250 nan 0.000 0.434 107 H N 2.236 121.327 119.070 0.035 0.000 2.504 107 H HA 0.297 4.853 4.556 0.001 0.000 0.322 107 H C -0.561 174.763 175.328 -0.005 0.000 1.055 107 H CA -0.630 55.419 56.048 0.002 0.000 1.231 107 H CB 0.998 30.766 29.762 0.009 0.000 1.417 107 H HN 0.269 nan 8.280 nan 0.000 0.472 108 I N 3.070 123.657 120.570 0.028 0.000 2.355 108 I HA 0.040 4.211 4.170 0.001 0.000 0.288 108 I C 0.742 176.833 176.117 -0.043 0.000 0.999 108 I CA -0.362 60.931 61.300 -0.012 0.000 1.163 108 I CB 1.377 39.340 38.000 -0.063 0.000 1.316 108 I HN 0.520 nan 8.210 nan 0.000 0.454 109 S N 4.696 120.399 115.700 0.004 0.000 2.645 109 S HA 0.263 4.734 4.470 0.001 0.000 0.266 109 S C 1.093 175.680 174.600 -0.022 0.000 1.258 109 S CA -0.182 58.033 58.200 0.025 0.000 0.990 109 S CB 0.606 63.860 63.200 0.089 0.000 0.967 109 S HN 0.531 nan 8.310 nan 0.000 0.556 110 Y N 0.790 121.127 120.300 0.063 0.000 2.097 110 Y HA -0.146 4.404 4.550 0.001 0.000 0.282 110 Y C 3.003 178.966 175.900 0.105 0.000 1.152 110 Y CA 2.282 60.430 58.100 0.079 0.000 1.136 110 Y CB -0.359 38.147 38.460 0.077 0.000 0.975 110 Y HN 0.713 nan 8.280 nan 0.000 0.498 111 R N 0.645 121.287 120.500 0.235 0.000 2.103 111 R HA -0.233 4.108 4.340 0.001 0.000 0.242 111 R C 1.890 178.295 176.300 0.176 0.000 1.142 111 R CA 2.235 58.443 56.100 0.180 0.000 0.960 111 R CB -0.210 30.165 30.300 0.124 0.000 0.858 111 R HN 0.459 nan 8.270 nan 0.000 0.439 112 E N -0.057 120.213 120.200 0.117 0.000 2.107 112 E HA -0.184 4.167 4.350 0.001 0.000 0.191 112 E C 1.917 178.560 176.600 0.072 0.000 0.982 112 E CA 0.967 57.416 56.400 0.082 0.000 0.809 112 E CB -0.083 29.646 29.700 0.048 0.000 0.756 112 E HN 0.227 nan 8.360 nan 0.000 0.459 113 L N 0.993 122.251 121.223 0.058 0.000 2.072 113 L HA -0.160 4.181 4.340 0.001 0.000 0.205 113 L C 2.418 179.348 176.870 0.099 0.000 1.079 113 L CA 1.754 56.616 54.840 0.037 0.000 0.752 113 L CB -0.497 41.537 42.059 -0.041 0.000 0.906 113 L HN 0.230 nan 8.230 nan 0.000 0.436 114 H N 0.241 119.360 119.070 0.081 0.000 2.319 114 H HA -0.268 4.289 4.556 0.001 0.000 0.299 114 H C 2.401 177.777 175.328 0.080 0.000 1.092 114 H CA 2.260 58.368 56.048 0.100 0.000 1.302 114 H CB 0.050 29.887 29.762 0.125 0.000 1.373 114 H HN 0.369 nan 8.280 nan 0.000 0.497 115 R N 0.368 120.911 120.500 0.073 0.000 2.083 115 R HA -0.143 4.197 4.340 0.001 0.000 0.237 115 R C 1.915 178.200 176.300 -0.026 0.000 1.137 115 R CA 2.211 58.318 56.100 0.011 0.000 0.951 115 R CB -0.202 30.153 30.300 0.092 0.000 0.851 115 R HN 0.307 nan 8.270 nan 0.000 0.434 116 D N -0.201 120.209 120.400 0.017 0.000 2.144 116 D HA -0.101 4.540 4.640 0.001 0.000 0.200 116 D C 1.981 178.307 176.300 0.043 0.000 0.978 116 D CA 1.185 55.211 54.000 0.043 0.000 0.833 116 D CB -0.064 40.778 40.800 0.070 0.000 0.961 116 D HN 0.133 nan 8.370 nan 0.000 0.470 117 V N 0.640 120.559 119.914 0.009 0.000 2.343 117 V HA -0.269 3.851 4.120 0.001 0.000 0.247 117 V C 2.690 178.741 176.094 -0.071 0.000 1.051 117 V CA 1.227 63.531 62.300 0.008 0.000 1.036 117 V CB -0.473 31.356 31.823 0.011 0.000 0.654 117 V HN 0.289 nan 8.190 nan 0.000 0.451 118 C N -0.262 118.940 119.300 -0.163 0.000 2.413 118 C HA -0.182 4.279 4.460 0.001 0.000 0.277 118 C C 2.879 177.808 174.990 -0.101 0.000 1.228 118 C CA 1.047 59.972 59.018 -0.155 0.000 1.731 118 C CB -1.236 26.397 27.740 -0.178 0.000 2.042 118 C HN 0.491 nan 8.230 nan 0.000 0.468 119 R N -0.747 119.717 120.500 -0.058 0.000 2.105 119 R HA -0.139 4.202 4.340 0.001 0.000 0.239 119 R C 2.037 178.287 176.300 -0.083 0.000 1.135 119 R CA 1.568 57.638 56.100 -0.049 0.000 0.967 119 R CB -0.504 29.785 30.300 -0.017 0.000 0.861 119 R HN 0.576 nan 8.270 nan 0.000 0.442 120 F N 0.858 120.679 119.950 -0.215 0.000 2.335 120 F HA 0.072 4.600 4.527 0.001 0.000 0.296 120 F C 2.237 177.891 175.800 -0.244 0.000 1.091 120 F CA 0.660 58.490 58.000 -0.285 0.000 1.399 120 F CB -0.150 38.663 39.000 -0.311 0.000 1.067 120 F HN -0.057 nan 8.300 nan 0.000 0.520 121 A N 0.318 122.999 122.820 -0.232 0.000 1.908 121 A HA -0.221 4.100 4.320 0.001 0.000 0.218 121 A C 2.107 179.477 177.584 -0.357 0.000 1.181 121 A CA 1.999 53.811 52.037 -0.375 0.000 0.627 121 A CB -0.826 17.796 19.000 -0.630 0.000 0.818 121 A HN 0.428 nan 8.150 nan 0.000 0.445 122 N N -0.508 118.036 118.700 -0.260 0.000 2.216 122 N HA -0.086 4.654 4.740 0.001 0.000 0.183 122 N C 1.742 177.120 175.510 -0.220 0.000 1.017 122 N CA 1.723 54.687 53.050 -0.143 0.000 0.861 122 N CB -0.632 37.820 38.487 -0.058 0.000 0.986 122 N HN 0.484 nan 8.380 nan 0.000 0.428 123 T N 2.117 116.464 114.554 -0.344 0.000 2.684 123 T HA -0.057 4.293 4.350 0.001 0.000 0.267 123 T C 2.148 176.565 174.700 -0.472 0.000 1.036 123 T CA 0.853 62.687 62.100 -0.444 0.000 1.148 123 T CB -0.276 68.191 68.868 -0.669 0.000 0.863 123 T HN 0.140 nan 8.240 nan 0.000 0.436 124 L N 0.295 121.174 121.223 -0.575 0.000 2.017 124 L HA -0.060 4.281 4.340 0.001 0.000 0.208 124 L C 2.534 179.264 176.870 -0.233 0.000 1.073 124 L CA 1.194 55.787 54.840 -0.411 0.000 0.745 124 L CB -0.676 41.157 42.059 -0.377 0.000 0.894 124 L HN 0.228 nan 8.230 nan 0.000 0.432 125 L N -0.395 120.714 121.223 -0.190 0.000 2.083 125 L HA -0.234 4.106 4.340 0.001 0.000 0.209 125 L C 2.102 178.912 176.870 -0.100 0.000 1.083 125 L CA 1.040 55.816 54.840 -0.106 0.000 0.752 125 L CB -0.607 41.420 42.059 -0.053 0.000 0.899 125 L HN 0.266 nan 8.230 nan 0.000 0.433 126 D N -0.365 119.957 120.400 -0.130 0.000 2.264 126 D HA -0.125 4.516 4.640 0.001 0.000 0.208 126 D C 1.878 178.102 176.300 -0.127 0.000 0.966 126 D CA 0.876 54.807 54.000 -0.116 0.000 0.864 126 D CB 0.046 40.769 40.800 -0.128 0.000 0.933 126 D HN 0.115 nan 8.370 nan 0.000 0.499 127 L N -0.744 120.382 121.223 -0.162 0.000 2.591 127 L HA 0.253 4.594 4.340 0.001 0.000 0.228 127 L C 1.602 178.422 176.870 -0.083 0.000 1.133 127 L CA 0.692 55.431 54.840 -0.168 0.000 0.880 127 L CB -0.260 41.665 42.059 -0.224 0.000 1.033 127 L HN 0.205 nan 8.230 nan 0.000 0.450 128 G N -0.974 107.785 108.800 -0.069 0.000 2.175 128 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 128 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 128 G C 0.478 175.361 174.900 -0.028 0.000 0.982 128 G CA 0.036 45.116 45.100 -0.034 0.000 0.641 128 G HN 0.135 nan 8.290 nan 0.000 0.527 129 I N 0.842 121.384 120.570 -0.046 0.000 2.752 129 I HA 0.298 4.468 4.170 0.001 0.000 0.287 129 I C 0.831 176.932 176.117 -0.028 0.000 1.188 129 I CA 0.783 62.062 61.300 -0.036 0.000 1.427 129 I CB 0.565 38.531 38.000 -0.057 0.000 1.365 129 I HN 0.167 nan 8.210 nan 0.000 0.585 130 K N 3.882 124.275 120.400 -0.013 0.000 2.444 130 K HA 0.333 4.654 4.320 0.001 0.000 0.252 130 K C -0.389 176.211 176.600 0.000 0.000 0.993 130 K CA -1.142 55.142 56.287 -0.005 0.000 0.847 130 K CB 2.232 34.732 32.500 -0.000 0.000 1.340 130 K HN 0.382 nan 8.250 nan 0.000 0.446 131 K N 0.330 120.733 120.400 0.004 0.000 2.569 131 K HA -0.169 4.151 4.320 0.001 0.000 0.280 131 K C 0.725 177.329 176.600 0.006 0.000 0.984 131 K CA 1.858 58.148 56.287 0.005 0.000 1.064 131 K CB -0.147 32.358 32.500 0.009 0.000 0.866 131 K HN 0.781 nan 8.250 nan 0.000 0.492 132 G N 2.869 111.670 108.800 0.002 0.000 2.267 132 G HA2 -0.244 3.717 3.960 0.001 0.000 0.257 132 G HA3 -0.244 3.717 3.960 0.001 0.000 0.257 132 G C -0.289 174.618 174.900 0.011 0.000 0.998 132 G CA 0.358 45.463 45.100 0.008 0.000 0.620 132 G HN 0.749 nan 8.290 nan 0.000 0.529 133 D N 0.507 120.912 120.400 0.008 0.000 2.414 133 D HA 0.453 5.093 4.640 0.001 0.000 0.242 133 D C 0.672 176.970 176.300 -0.003 0.000 1.129 133 D CA 0.064 54.069 54.000 0.009 0.000 0.885 133 D CB 1.615 42.420 40.800 0.009 0.000 1.198 133 D HN 0.219 nan 8.370 nan 0.000 0.437 134 V N 2.317 122.226 119.914 -0.009 0.000 2.481 134 V HA 0.347 4.467 4.120 0.001 0.000 0.286 134 V C 0.231 176.337 176.094 0.019 0.000 1.042 134 V CA -0.655 61.629 62.300 -0.026 0.000 0.928 134 V CB 1.785 33.550 31.823 -0.098 0.000 0.986 134 V HN 0.219 nan 8.190 nan 0.000 0.462 135 V N 3.762 123.710 119.914 0.056 0.000 2.483 135 V HA 0.675 4.795 4.120 0.001 0.000 0.297 135 V C 0.311 176.474 176.094 0.115 0.000 1.027 135 V CA -0.706 61.646 62.300 0.086 0.000 0.855 135 V CB 1.742 33.631 31.823 0.109 0.000 0.995 135 V HN 0.986 nan 8.190 nan 0.000 0.424 136 A N 6.618 129.491 122.820 0.089 0.000 2.320 136 A HA 0.785 5.105 4.320 0.001 0.000 0.287 136 A C -0.394 177.256 177.584 0.111 0.000 1.181 136 A CA -0.184 51.907 52.037 0.091 0.000 0.831 136 A CB -0.006 19.016 19.000 0.036 0.000 1.102 136 A HN 0.788 nan 8.150 nan 0.000 0.513 137 I N 2.697 123.340 120.570 0.121 0.000 2.382 137 I HA 0.208 4.379 4.170 0.001 0.000 0.286 137 I C -1.124 175.079 176.117 0.143 0.000 1.002 137 I CA -0.295 61.066 61.300 0.101 0.000 1.135 137 I CB 1.293 39.305 38.000 0.019 0.000 1.288 137 I HN 0.707 nan 8.210 nan 0.000 0.448 138 Y N 8.283 128.564 120.300 -0.032 0.000 2.787 138 Y HA 0.541 5.091 4.550 0.001 0.000 0.352 138 Y C -0.883 174.960 175.900 -0.094 0.000 1.027 138 Y CA -0.850 57.215 58.100 -0.058 0.000 1.219 138 Y CB 0.496 38.929 38.460 -0.045 0.000 1.110 138 Y HN 0.415 nan 8.280 nan 0.000 0.614 139 M N 5.307 124.770 119.600 -0.228 0.000 2.644 139 M HA 0.532 5.013 4.480 0.001 0.000 0.304 139 M C -2.555 173.543 176.300 -0.336 0.000 1.215 139 M CA -1.866 53.270 55.300 -0.273 0.000 0.871 139 M CB 2.134 34.604 32.600 -0.217 0.000 1.740 139 M HN 0.290 nan 8.290 nan 0.000 0.464 140 P HA 0.362 nan 4.420 nan 0.000 0.297 140 P C -0.521 176.671 177.300 -0.180 0.000 1.307 140 P CA -0.529 62.417 63.100 -0.257 0.000 0.773 140 P CB 0.625 32.189 31.700 -0.226 0.000 1.265 141 M N 0.884 120.422 119.600 -0.103 0.000 3.596 141 M HA 0.128 4.609 4.480 0.001 0.000 0.212 141 M C -0.056 176.314 176.300 0.116 0.000 1.519 141 M CA -0.032 55.265 55.300 -0.006 0.000 1.670 141 M CB -1.628 30.985 32.600 0.021 0.000 1.113 141 M HN 0.117 nan 8.290 nan 0.000 0.565 142 V N -0.120 119.740 119.914 -0.090 0.000 2.960 142 V HA 0.570 4.690 4.120 0.001 0.000 0.315 142 V C -2.316 173.528 176.094 -0.418 0.000 1.087 142 V CA -1.800 60.291 62.300 -0.349 0.000 0.982 142 V CB 1.613 33.133 31.823 -0.506 0.000 1.039 142 V HN 0.188 nan 8.190 nan 0.000 0.437 143 P HA -0.061 nan 4.420 nan 0.000 0.219 143 P C 1.194 178.271 177.300 -0.371 0.000 1.146 143 P CA 1.294 64.168 63.100 -0.377 0.000 0.808 143 P CB 0.257 31.727 31.700 -0.385 0.000 0.779 144 E N -0.189 119.693 120.200 -0.531 0.000 2.160 144 E HA -0.155 4.195 4.350 0.001 0.000 0.195 144 E C 2.119 178.416 176.600 -0.504 0.000 0.991 144 E CA 1.402 57.394 56.400 -0.679 0.000 0.810 144 E CB -1.041 27.857 29.700 -1.336 0.000 0.742 144 E HN 0.170 nan 8.360 nan 0.000 0.466 145 A N 1.129 123.702 122.820 -0.411 0.000 1.883 145 A HA -0.184 4.137 4.320 0.001 0.000 0.217 145 A C 2.403 179.838 177.584 -0.248 0.000 1.186 145 A CA 2.031 53.894 52.037 -0.290 0.000 0.624 145 A CB -0.982 17.862 19.000 -0.259 0.000 0.822 145 A HN 0.316 nan 8.150 nan 0.000 0.444 146 A N -0.651 122.026 122.820 -0.239 0.000 1.902 146 A HA -0.014 4.307 4.320 0.001 0.000 0.217 146 A C 2.237 179.747 177.584 -0.124 0.000 1.181 146 A CA 1.862 53.776 52.037 -0.205 0.000 0.623 146 A CB -0.960 17.931 19.000 -0.181 0.000 0.818 146 A HN 0.432 nan 8.150 nan 0.000 0.443 147 V N -0.178 119.671 119.914 -0.109 0.000 2.295 147 V HA -0.255 3.866 4.120 0.001 0.000 0.246 147 V C 3.046 179.141 176.094 0.001 0.000 1.049 147 V CA 1.983 64.268 62.300 -0.025 0.000 1.024 147 V CB -1.286 30.553 31.823 0.028 0.000 0.648 147 V HN 0.619 nan 8.190 nan 0.000 0.447 148 A N -0.582 122.206 122.820 -0.054 0.000 1.902 148 A HA -0.218 4.103 4.320 0.001 0.000 0.217 148 A C 2.234 179.883 177.584 0.109 0.000 1.181 148 A CA 2.193 54.254 52.037 0.039 0.000 0.623 148 A CB -0.466 18.563 19.000 0.049 0.000 0.818 148 A HN 0.505 nan 8.150 nan 0.000 0.443 149 M N -0.795 118.778 119.600 -0.045 0.000 2.132 149 M HA -0.056 4.425 4.480 0.001 0.000 0.263 149 M C 2.103 178.516 176.300 0.189 0.000 1.065 149 M CA 1.278 56.526 55.300 -0.086 0.000 1.122 149 M CB -0.450 31.896 32.600 -0.423 0.000 1.365 149 M HN 0.346 nan 8.290 nan 0.000 0.411 150 L N -0.234 121.079 121.223 0.151 0.000 2.056 150 L HA -0.153 4.187 4.340 0.001 0.000 0.207 150 L C 2.844 179.806 176.870 0.153 0.000 1.078 150 L CA 1.198 56.156 54.840 0.197 0.000 0.749 150 L CB -0.825 41.321 42.059 0.145 0.000 0.901 150 L HN 0.297 nan 8.230 nan 0.000 0.433 151 A N -0.856 122.059 122.820 0.157 0.000 1.902 151 A HA -0.242 4.078 4.320 0.001 0.000 0.217 151 A C 2.416 180.052 177.584 0.087 0.000 1.181 151 A CA 1.910 54.022 52.037 0.126 0.000 0.623 151 A CB -1.226 17.959 19.000 0.309 0.000 0.818 151 A HN 0.550 nan 8.150 nan 0.000 0.443 152 C N -1.044 118.354 119.300 0.163 0.000 2.413 152 C HA 0.014 4.475 4.460 0.001 0.000 0.276 152 C C 3.321 178.371 174.990 0.100 0.000 1.248 152 C CA 0.867 59.970 59.018 0.140 0.000 1.742 152 C CB -1.395 26.489 27.740 0.240 0.000 2.017 152 C HN 0.709 nan 8.230 nan 0.000 0.481 153 A N 0.102 123.003 122.820 0.136 0.000 1.930 153 A HA -0.195 4.126 4.320 0.001 0.000 0.217 153 A C 2.283 179.883 177.584 0.028 0.000 1.175 153 A CA 1.592 53.669 52.037 0.067 0.000 0.627 153 A CB -0.636 18.406 19.000 0.071 0.000 0.815 153 A HN 0.644 nan 8.150 nan 0.000 0.443 154 R N 0.111 120.631 120.500 0.034 0.000 2.096 154 R HA -0.109 4.232 4.340 0.001 0.000 0.235 154 R C 1.871 178.191 176.300 0.034 0.000 1.127 154 R CA 1.855 57.968 56.100 0.021 0.000 0.968 154 R CB -0.366 29.918 30.300 -0.027 0.000 0.861 154 R HN 0.753 nan 8.270 nan 0.000 0.440 155 I N -4.114 116.459 120.570 0.005 0.000 3.883 155 I HA 0.350 4.520 4.170 0.001 0.000 0.326 155 I C 0.838 176.969 176.117 0.022 0.000 1.283 155 I CA 0.659 61.975 61.300 0.025 0.000 1.161 155 I CB 0.728 38.717 38.000 -0.019 0.000 1.012 155 I HN 0.253 nan 8.210 nan 0.000 0.421 156 G N 1.684 110.492 108.800 0.013 0.000 2.143 156 G HA2 -0.224 3.737 3.960 0.001 0.000 0.249 156 G HA3 -0.224 3.737 3.960 0.001 0.000 0.249 156 G C 0.424 175.321 174.900 -0.004 0.000 0.981 156 G CA 0.053 45.154 45.100 0.001 0.000 0.665 156 G HN 0.920 nan 8.290 nan 0.000 0.528 157 A N -0.744 122.080 122.820 0.006 0.000 2.346 157 A HA 0.681 5.002 4.320 0.001 0.000 0.252 157 A C 0.511 178.094 177.584 -0.002 0.000 1.089 157 A CA 0.445 52.487 52.037 0.008 0.000 0.797 157 A CB 0.990 20.004 19.000 0.024 0.000 1.047 157 A HN 1.169 nan 8.150 nan 0.000 0.494 158 V N 3.212 123.117 119.914 -0.015 0.000 2.293 158 V HA 0.261 4.381 4.120 0.001 0.000 0.275 158 V C -0.174 175.925 176.094 0.008 0.000 1.021 158 V CA -0.550 61.713 62.300 -0.062 0.000 0.815 158 V CB 0.244 31.999 31.823 -0.112 0.000 1.025 158 V HN 1.029 nan 8.190 nan 0.000 0.448 159 H N 1.898 121.034 119.070 0.110 0.000 2.652 159 H HA 0.591 5.148 4.556 0.001 0.000 0.349 159 H C 0.015 175.437 175.328 0.157 0.000 1.099 159 H CA -0.464 55.655 56.048 0.119 0.000 1.417 159 H CB 1.063 30.892 29.762 0.111 0.000 1.457 159 H HN 0.471 nan 8.280 nan 0.000 0.568 160 S N 3.164 119.065 115.700 0.334 0.000 2.718 160 S HA 0.331 4.802 4.470 0.001 0.000 0.294 160 S C -1.080 173.691 174.600 0.285 0.000 1.157 160 S CA -0.867 57.522 58.200 0.314 0.000 1.121 160 S CB -0.200 63.138 63.200 0.230 0.000 1.015 160 S HN 0.557 nan 8.310 nan 0.000 0.479 161 V N 7.009 127.115 119.914 0.319 0.000 2.427 161 V HA 0.349 4.470 4.120 0.001 0.000 0.268 161 V C 0.083 176.305 176.094 0.214 0.000 1.046 161 V CA -0.222 62.195 62.300 0.195 0.000 0.970 161 V CB 0.606 32.502 31.823 0.123 0.000 1.001 161 V HN 0.757 nan 8.190 nan 0.000 0.476 162 I N 6.097 126.791 120.570 0.205 0.000 2.297 162 I HA 0.250 4.420 4.170 0.001 0.000 0.291 162 I C 0.194 176.503 176.117 0.320 0.000 1.033 162 I CA -0.500 60.967 61.300 0.279 0.000 1.253 162 I CB 0.556 38.687 38.000 0.217 0.000 1.396 162 I HN 0.510 nan 8.210 nan 0.000 0.476 163 F N 5.786 125.745 119.950 0.016 0.000 2.537 163 F HA -0.056 4.472 4.527 0.001 0.000 0.402 163 F C 1.553 177.328 175.800 -0.042 0.000 1.005 163 F CA 0.260 58.089 58.000 -0.285 0.000 1.203 163 F CB 0.672 39.163 39.000 -0.848 0.000 0.955 163 F HN 0.627 nan 8.300 nan 0.000 0.547 164 G N 4.229 112.530 108.800 -0.832 0.000 2.498 164 G HA2 -0.138 3.823 3.960 0.001 0.000 0.219 164 G HA3 -0.138 3.823 3.960 0.001 0.000 0.219 164 G C 1.446 175.827 174.900 -0.866 0.000 1.119 164 G CA 0.464 44.990 45.100 -0.957 0.000 0.766 164 G HN 1.035 nan 8.290 nan 0.000 0.552 165 G N -0.447 107.489 108.800 -1.440 0.000 3.088 165 G HA2 0.298 4.258 3.960 0.001 0.000 0.212 165 G HA3 0.298 4.258 3.960 0.001 0.000 0.212 165 G C -0.010 174.781 174.900 -0.182 0.000 1.173 165 G CA -0.618 44.071 45.100 -0.685 0.000 0.779 165 G HN 0.187 nan 8.290 nan 0.000 0.540 166 F N 1.614 121.610 119.950 0.077 0.000 2.382 166 F HA 0.406 4.933 4.527 0.001 0.000 0.331 166 F C 1.308 177.164 175.800 0.093 0.000 1.121 166 F CA -1.239 56.857 58.000 0.160 0.000 1.183 166 F CB 1.361 40.466 39.000 0.176 0.000 1.207 166 F HN 0.029 nan 8.300 nan 0.000 0.555 167 S N 2.344 118.217 115.700 0.289 0.000 2.632 167 S HA 0.341 4.811 4.470 0.001 0.000 0.267 167 S C -2.043 172.553 174.600 -0.008 0.000 1.276 167 S CA -1.116 57.144 58.200 0.100 0.000 0.998 167 S CB 1.406 64.629 63.200 0.037 0.000 0.953 167 S HN 0.336 nan 8.310 nan 0.000 0.547 168 P HA -0.145 nan 4.420 nan 0.000 0.216 168 P C 1.430 178.641 177.300 -0.147 0.000 1.153 168 P CA 1.514 64.538 63.100 -0.127 0.000 0.858 168 P CB -0.006 31.637 31.700 -0.095 0.000 0.789 169 E N -0.086 120.038 120.200 -0.128 0.000 2.118 169 E HA -0.186 4.165 4.350 0.001 0.000 0.195 169 E C 1.919 178.425 176.600 -0.157 0.000 0.992 169 E CA 1.711 58.028 56.400 -0.139 0.000 0.804 169 E CB -1.068 28.543 29.700 -0.149 0.000 0.741 169 E HN 0.117 nan 8.360 nan 0.000 0.458 170 A N -0.232 122.498 122.820 -0.150 0.000 1.897 170 A HA -0.057 4.264 4.320 0.001 0.000 0.215 170 A C 2.478 179.856 177.584 -0.345 0.000 1.181 170 A CA 1.276 53.166 52.037 -0.246 0.000 0.620 170 A CB -0.616 18.258 19.000 -0.210 0.000 0.821 170 A HN 0.185 nan 8.150 nan 0.000 0.443 171 V N 0.159 119.893 119.914 -0.301 0.000 2.255 171 V HA -0.296 3.824 4.120 0.001 0.000 0.247 171 V C 3.089 179.002 176.094 -0.302 0.000 1.051 171 V CA 2.033 64.112 62.300 -0.368 0.000 1.018 171 V CB -1.359 30.142 31.823 -0.537 0.000 0.641 171 V HN 0.615 nan 8.190 nan 0.000 0.445 172 A N 0.578 123.251 122.820 -0.244 0.000 1.884 172 A HA -0.218 4.102 4.320 0.001 0.000 0.219 172 A C 2.437 179.907 177.584 -0.190 0.000 1.197 172 A CA 2.402 54.326 52.037 -0.189 0.000 0.637 172 A CB -1.438 17.471 19.000 -0.151 0.000 0.827 172 A HN 0.567 nan 8.150 nan 0.000 0.450 173 G N -1.195 107.477 108.800 -0.214 0.000 2.422 173 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 173 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 173 G C 1.782 176.502 174.900 -0.299 0.000 1.146 173 G CA 0.964 45.937 45.100 -0.212 0.000 0.769 173 G HN 0.577 nan 8.290 nan 0.000 0.547 174 R N -0.259 119.985 120.500 -0.427 0.000 2.062 174 R HA 0.135 4.475 4.340 0.001 0.000 0.229 174 R C 2.601 178.706 176.300 -0.326 0.000 1.128 174 R CA 0.949 56.664 56.100 -0.641 0.000 0.960 174 R CB -0.378 29.534 30.300 -0.647 0.000 0.855 174 R HN 0.345 nan 8.270 nan 0.000 0.432 175 I N 0.754 121.198 120.570 -0.211 0.000 2.208 175 I HA -0.327 3.844 4.170 0.001 0.000 0.245 175 I C 2.173 178.251 176.117 -0.064 0.000 1.097 175 I CA 1.501 62.735 61.300 -0.110 0.000 1.363 175 I CB -0.264 37.666 38.000 -0.116 0.000 1.051 175 I HN 0.159 nan 8.210 nan 0.000 0.413 176 I N 0.468 120.988 120.570 -0.083 0.000 2.226 176 I HA -0.320 3.850 4.170 0.001 0.000 0.245 176 I C 2.190 178.319 176.117 0.020 0.000 1.100 176 I CA 1.791 63.069 61.300 -0.037 0.000 1.374 176 I CB -0.424 37.545 38.000 -0.051 0.000 1.057 176 I HN 0.258 nan 8.210 nan 0.000 0.413 177 D N 0.369 120.777 120.400 0.014 0.000 2.144 177 D HA -0.164 4.477 4.640 0.001 0.000 0.200 177 D C 2.150 178.653 176.300 0.338 0.000 0.978 177 D CA 1.506 55.597 54.000 0.152 0.000 0.833 177 D CB 0.134 41.030 40.800 0.160 0.000 0.961 177 D HN 0.308 nan 8.370 nan 0.000 0.470 178 S N -1.575 114.288 115.700 0.271 0.000 2.548 178 S HA 0.106 4.577 4.470 0.001 0.000 0.215 178 S C 0.857 175.560 174.600 0.171 0.000 0.976 178 S CA 0.277 58.626 58.200 0.247 0.000 0.908 178 S CB 0.142 63.406 63.200 0.107 0.000 0.781 178 S HN 0.076 nan 8.310 nan 0.000 0.519 179 S N 1.311 117.091 115.700 0.133 0.000 3.581 179 S HA -0.150 4.321 4.470 0.001 0.000 0.354 179 S C 0.187 174.814 174.600 0.044 0.000 1.059 179 S CA 0.560 58.810 58.200 0.082 0.000 1.060 179 S CB -2.315 60.952 63.200 0.111 0.000 0.908 179 S HN 0.725 nan 8.310 nan 0.000 0.475 180 S N 0.816 116.531 115.700 0.024 0.000 2.626 180 S HA 0.012 4.482 4.470 0.001 0.000 0.303 180 S C 1.484 176.087 174.600 0.005 0.000 1.256 180 S CA -0.138 58.069 58.200 0.012 0.000 1.069 180 S CB 0.463 63.666 63.200 0.005 0.000 0.807 180 S HN 0.476 nan 8.310 nan 0.000 0.500 181 R N 0.716 121.223 120.500 0.011 0.000 2.240 181 R HA 0.170 4.511 4.340 0.001 0.000 0.203 181 R C -0.096 176.211 176.300 0.010 0.000 1.011 181 R CA 0.437 56.541 56.100 0.007 0.000 1.007 181 R CB 0.020 30.328 30.300 0.013 0.000 0.911 181 R HN 0.429 nan 8.270 nan 0.000 0.468 182 L N -0.148 121.087 121.223 0.021 0.000 2.482 182 L HA 0.383 4.723 4.340 0.001 0.000 0.263 182 L C -1.409 175.486 176.870 0.041 0.000 0.957 182 L CA -0.817 54.045 54.840 0.038 0.000 0.836 182 L CB 2.441 44.531 42.059 0.051 0.000 1.324 182 L HN -0.343 nan 8.230 nan 0.000 0.406 183 V N 5.633 125.569 119.914 0.037 0.000 2.459 183 V HA 0.562 4.683 4.120 0.001 0.000 0.295 183 V C -0.215 175.935 176.094 0.094 0.000 1.029 183 V CA -0.382 61.947 62.300 0.048 0.000 0.874 183 V CB 1.707 33.530 31.823 0.000 0.000 0.985 183 V HN 0.604 nan 8.190 nan 0.000 0.438 184 I N 3.930 124.581 120.570 0.136 0.000 2.389 184 I HA 0.639 4.810 4.170 0.001 0.000 0.288 184 I C 0.115 176.319 176.117 0.145 0.000 0.999 184 I CA 0.151 61.564 61.300 0.188 0.000 1.129 184 I CB 2.024 40.182 38.000 0.265 0.000 1.288 184 I HN 0.697 nan 8.210 nan 0.000 0.444 185 T N 3.842 118.472 114.554 0.128 0.000 2.647 185 T HA 0.857 5.207 4.350 0.001 0.000 0.295 185 T C -1.586 173.131 174.700 0.028 0.000 1.126 185 T CA -0.460 61.684 62.100 0.072 0.000 1.040 185 T CB 1.752 70.703 68.868 0.139 0.000 1.472 185 T HN 0.622 nan 8.240 nan 0.000 0.500 186 A N 0.648 123.456 122.820 -0.020 0.000 2.384 186 A HA 0.642 4.963 4.320 0.001 0.000 0.312 186 A C 0.877 178.488 177.584 0.046 0.000 1.113 186 A CA -0.024 52.008 52.037 -0.009 0.000 0.779 186 A CB 1.079 20.014 19.000 -0.109 0.000 1.307 186 A HN 0.919 nan 8.150 nan 0.000 0.436 187 D N 0.547 121.023 120.400 0.127 0.000 2.127 187 D HA -0.153 4.488 4.640 0.001 0.000 0.190 187 D C 0.275 176.604 176.300 0.049 0.000 1.000 187 D CA 1.997 56.081 54.000 0.141 0.000 0.839 187 D CB -0.057 40.881 40.800 0.230 0.000 0.955 187 D HN 0.662 nan 8.370 nan 0.000 0.446 188 E N -1.627 118.573 120.200 0.000 0.000 2.390 188 E HA 0.615 4.966 4.350 0.001 0.000 0.277 188 E C -0.610 175.930 176.600 -0.099 0.000 0.939 188 E CA -0.808 55.561 56.400 -0.051 0.000 0.769 188 E CB 2.375 32.052 29.700 -0.038 0.000 1.251 188 E HN 0.228 nan 8.360 nan 0.000 0.450 189 G N 0.232 108.945 108.800 -0.145 0.000 2.451 189 G HA2 0.517 4.477 3.960 0.001 0.000 0.303 189 G HA3 0.517 4.477 3.960 0.001 0.000 0.303 189 G C -0.835 173.980 174.900 -0.141 0.000 1.166 189 G CA -0.350 44.650 45.100 -0.167 0.000 0.884 189 G HN 0.217 nan 8.290 nan 0.000 0.514 190 V N 1.095 120.931 119.914 -0.131 0.000 2.444 190 V HA 0.690 4.811 4.120 0.001 0.000 0.294 190 V C 0.090 176.071 176.094 -0.189 0.000 1.022 190 V CA -0.743 61.474 62.300 -0.138 0.000 0.850 190 V CB 1.408 33.182 31.823 -0.082 0.000 0.992 190 V HN 0.840 nan 8.190 nan 0.000 0.426 191 R N 3.512 123.862 120.500 -0.250 0.000 2.566 191 R HA 0.609 4.949 4.340 0.001 0.000 0.271 191 R C 0.258 176.295 176.300 -0.439 0.000 1.071 191 R CA 0.056 55.979 56.100 -0.296 0.000 0.915 191 R CB 1.776 31.935 30.300 -0.236 0.000 1.228 191 R HN 1.204 nan 8.270 nan 0.000 0.449 192 A N 2.303 124.787 122.820 -0.561 0.000 2.715 192 A HA -0.191 4.129 4.320 0.001 0.000 0.301 192 A C 1.078 177.582 177.584 -1.801 0.000 1.515 192 A CA 1.807 53.166 52.037 -1.130 0.000 0.816 192 A CB -2.123 16.494 19.000 -0.639 0.000 1.004 192 A HN 1.907 nan 8.150 nan 0.000 0.483 193 G N -2.567 105.329 108.800 -1.506 0.000 2.148 193 G HA2 -0.245 3.716 3.960 0.001 0.000 0.254 193 G HA3 -0.245 3.716 3.960 0.001 0.000 0.254 193 G C 0.085 174.727 174.900 -0.430 0.000 0.981 193 G CA 1.071 45.591 45.100 -0.967 0.000 0.670 193 G HN 1.292 nan 8.290 nan 0.000 0.528 194 R N -0.453 119.812 120.500 -0.391 0.000 2.795 194 R HA 0.657 4.998 4.340 0.001 0.000 0.275 194 R C -0.378 175.811 176.300 -0.184 0.000 0.981 194 R CA -0.533 55.429 56.100 -0.231 0.000 0.917 194 R CB 1.636 31.808 30.300 -0.215 0.000 1.202 194 R HN 0.123 nan 8.270 nan 0.000 0.469 195 S N 1.545 117.169 115.700 -0.127 0.000 2.586 195 S HA 0.481 4.952 4.470 0.001 0.000 0.274 195 S C -0.155 174.379 174.600 -0.111 0.000 1.281 195 S CA -0.453 57.682 58.200 -0.107 0.000 1.035 195 S CB 0.498 63.656 63.200 -0.071 0.000 0.962 195 S HN 0.297 nan 8.310 nan 0.000 0.512 196 I N 4.442 124.938 120.570 -0.124 0.000 2.406 196 I HA 0.337 4.508 4.170 0.001 0.000 0.290 196 I C -2.169 173.885 176.117 -0.104 0.000 0.999 196 I CA -2.399 58.824 61.300 -0.130 0.000 1.124 196 I CB 2.186 40.069 38.000 -0.195 0.000 1.289 196 I HN 0.384 nan 8.210 nan 0.000 0.441 197 P HA 0.230 nan 4.420 nan 0.000 0.214 197 P C 0.914 178.215 177.300 0.003 0.000 1.826 197 P CA -0.281 62.804 63.100 -0.025 0.000 0.977 197 P CB 0.173 31.869 31.700 -0.006 0.000 1.930 198 L N 0.422 121.616 121.223 -0.048 0.000 1.991 198 L HA -0.301 4.039 4.340 0.001 0.000 0.221 198 L C 2.570 179.530 176.870 0.151 0.000 1.079 198 L CA 2.224 57.058 54.840 -0.010 0.000 0.778 198 L CB -1.024 40.905 42.059 -0.217 0.000 0.893 198 L HN 0.194 nan 8.230 nan 0.000 0.437 199 K N 0.698 121.146 120.400 0.079 0.000 2.057 199 K HA -0.193 4.128 4.320 0.001 0.000 0.206 199 K C 2.109 178.742 176.600 0.054 0.000 1.050 199 K CA 1.555 57.888 56.287 0.076 0.000 0.935 199 K CB -0.239 32.306 32.500 0.075 0.000 0.715 199 K HN 0.055 nan 8.250 nan 0.000 0.439 200 K N 0.121 120.551 120.400 0.051 0.000 2.103 200 K HA -0.172 4.148 4.320 0.001 0.000 0.207 200 K C 1.572 178.185 176.600 0.021 0.000 1.048 200 K CA 1.705 58.010 56.287 0.031 0.000 0.930 200 K CB -0.164 32.353 32.500 0.029 0.000 0.716 200 K HN 0.204 nan 8.250 nan 0.000 0.444 201 N N 0.465 119.199 118.700 0.057 0.000 2.084 201 N HA -0.147 4.594 4.740 0.001 0.000 0.190 201 N C 1.819 177.304 175.510 -0.042 0.000 1.030 201 N CA 1.180 54.254 53.050 0.039 0.000 0.849 201 N CB -0.506 38.077 38.487 0.160 0.000 1.012 201 N HN -0.020 nan 8.380 nan 0.000 0.423 202 V N 1.893 121.794 119.914 -0.022 0.000 2.287 202 V HA -0.235 3.885 4.120 0.001 0.000 0.248 202 V C 1.719 177.758 176.094 -0.091 0.000 1.053 202 V CA 1.741 63.985 62.300 -0.093 0.000 1.027 202 V CB -0.586 31.214 31.823 -0.038 0.000 0.646 202 V HN 0.209 nan 8.190 nan 0.000 0.447 203 D N 0.229 120.591 120.400 -0.063 0.000 2.126 203 D HA -0.199 4.441 4.640 0.001 0.000 0.190 203 D C 1.920 178.178 176.300 -0.069 0.000 1.001 203 D CA 1.813 55.771 54.000 -0.069 0.000 0.841 203 D CB -0.411 40.362 40.800 -0.043 0.000 0.949 203 D HN 0.454 nan 8.370 nan 0.000 0.446 204 D N 0.114 120.478 120.400 -0.061 0.000 2.117 204 D HA -0.051 4.589 4.640 0.001 0.000 0.198 204 D C 2.045 178.293 176.300 -0.087 0.000 0.982 204 D CA 1.233 55.194 54.000 -0.064 0.000 0.828 204 D CB -0.451 40.316 40.800 -0.054 0.000 0.967 204 D HN 0.154 nan 8.370 nan 0.000 0.464 205 A N 0.900 123.653 122.820 -0.112 0.000 1.892 205 A HA -0.158 4.162 4.320 0.001 0.000 0.218 205 A C 2.249 179.763 177.584 -0.117 0.000 1.188 205 A CA 1.116 53.072 52.037 -0.136 0.000 0.631 205 A CB -0.892 17.993 19.000 -0.192 0.000 0.822 205 A HN 0.258 nan 8.150 nan 0.000 0.447 206 L N -1.319 119.837 121.223 -0.111 0.000 2.552 206 L HA -0.045 4.296 4.340 0.001 0.000 0.227 206 L C 2.120 178.938 176.870 -0.086 0.000 1.146 206 L CA 0.716 55.495 54.840 -0.102 0.000 0.858 206 L CB -0.238 41.755 42.059 -0.111 0.000 0.969 206 L HN 0.346 nan 8.230 nan 0.000 0.451 207 K N -0.284 120.069 120.400 -0.077 0.000 2.296 207 K HA -0.040 4.280 4.320 0.001 0.000 0.200 207 K C 0.912 177.477 176.600 -0.058 0.000 1.048 207 K CA -0.075 56.175 56.287 -0.063 0.000 0.966 207 K CB -0.002 32.466 32.500 -0.054 0.000 0.754 207 K HN 0.138 nan 8.250 nan 0.000 0.466 208 N N 2.049 120.710 118.700 -0.065 0.000 2.411 208 N HA -0.043 4.697 4.740 0.001 0.000 0.265 208 N C -1.818 173.660 175.510 -0.054 0.000 1.266 208 N CA -1.015 51.998 53.050 -0.060 0.000 0.889 208 N CB 1.094 39.537 38.487 -0.073 0.000 1.069 208 N HN -0.022 nan 8.380 nan 0.000 0.476 209 P HA -0.039 nan 4.420 nan 0.000 0.229 209 P C 0.438 177.715 177.300 -0.038 0.000 1.160 209 P CA 0.721 63.798 63.100 -0.039 0.000 0.777 209 P CB 0.442 32.123 31.700 -0.030 0.000 0.814 210 N N -0.077 118.600 118.700 -0.039 0.000 2.457 210 N HA -0.004 4.736 4.740 0.001 0.000 0.180 210 N C 0.248 175.733 175.510 -0.041 0.000 1.050 210 N CA 0.406 53.435 53.050 -0.036 0.000 0.906 210 N CB 0.072 38.538 38.487 -0.034 0.000 0.968 210 N HN 0.064 nan 8.380 nan 0.000 0.445 211 V N 2.296 122.178 119.914 -0.053 0.000 2.370 211 V HA 0.038 4.159 4.120 0.001 0.000 0.257 211 V C 1.301 177.362 176.094 -0.055 0.000 1.064 211 V CA 0.388 62.652 62.300 -0.059 0.000 0.975 211 V CB 0.482 32.259 31.823 -0.077 0.000 1.067 211 V HN 0.282 nan 8.190 nan 0.000 0.485 212 T N -1.113 113.415 114.554 -0.044 0.000 3.040 212 T HA 0.013 4.363 4.350 0.001 0.000 0.266 212 T C 1.452 176.127 174.700 -0.042 0.000 1.005 212 T CA 0.476 62.551 62.100 -0.043 0.000 0.906 212 T CB 0.313 69.162 68.868 -0.031 0.000 1.082 212 T HN 0.634 nan 8.240 nan 0.000 0.531 213 S N 0.479 116.156 115.700 -0.039 0.000 2.503 213 S HA 0.291 4.761 4.470 0.001 0.000 0.215 213 S C 0.521 175.094 174.600 -0.045 0.000 1.003 213 S CA -0.322 57.860 58.200 -0.030 0.000 0.910 213 S CB -0.283 62.913 63.200 -0.008 0.000 0.790 213 S HN 0.282 nan 8.310 nan 0.000 0.514 214 V N 2.857 122.732 119.914 -0.064 0.000 2.455 214 V HA 0.274 4.394 4.120 0.001 0.000 0.273 214 V C 0.791 176.809 176.094 -0.127 0.000 1.045 214 V CA 0.047 62.300 62.300 -0.079 0.000 0.976 214 V CB 0.860 32.633 31.823 -0.084 0.000 0.993 214 V HN 0.436 nan 8.190 nan 0.000 0.475 215 E N 2.563 122.676 120.200 -0.145 0.000 2.201 215 E HA 0.168 4.518 4.350 0.001 0.000 0.193 215 E C 0.118 176.352 176.600 -0.610 0.000 0.957 215 E CA 0.403 56.616 56.400 -0.312 0.000 0.858 215 E CB 0.431 30.006 29.700 -0.209 0.000 0.816 215 E HN 0.734 nan 8.360 nan 0.000 0.475 216 H N -0.906 118.112 119.070 -0.087 0.000 2.980 216 H HA 0.413 4.969 4.556 0.001 0.000 0.367 216 H C -1.160 174.103 175.328 -0.108 0.000 1.206 216 H CA -0.742 55.239 56.048 -0.111 0.000 1.126 216 H CB 2.025 31.730 29.762 -0.095 0.000 1.838 216 H HN -0.192 nan 8.280 nan 0.000 0.552 217 V N 3.474 123.376 119.914 -0.019 0.000 2.407 217 V HA 0.284 4.404 4.120 0.001 0.000 0.291 217 V C 0.335 176.401 176.094 -0.047 0.000 1.018 217 V CA -0.568 61.698 62.300 -0.056 0.000 0.842 217 V CB 1.327 33.065 31.823 -0.143 0.000 0.996 217 V HN 0.469 nan 8.190 nan 0.000 0.426 218 I N 5.100 125.706 120.570 0.061 0.000 2.395 218 I HA 0.439 4.609 4.170 0.001 0.000 0.289 218 I C -0.417 175.813 176.117 0.189 0.000 1.023 218 I CA -0.499 60.888 61.300 0.146 0.000 1.350 218 I CB 1.541 39.694 38.000 0.254 0.000 1.409 218 I HN 0.274 nan 8.210 nan 0.000 0.507 219 V N 6.951 126.992 119.914 0.211 0.000 2.487 219 V HA 0.313 4.433 4.120 0.001 0.000 0.298 219 V C -0.251 176.107 176.094 0.440 0.000 1.028 219 V CA -0.748 61.676 62.300 0.207 0.000 0.860 219 V CB 1.894 33.706 31.823 -0.017 0.000 0.991 219 V HN 0.444 nan 8.190 nan 0.000 0.427 220 L N 4.384 125.783 121.223 0.292 0.000 2.305 220 L HA 0.429 4.769 4.340 0.001 0.000 0.281 220 L C 0.472 177.499 176.870 0.261 0.000 1.085 220 L CA 0.120 55.066 54.840 0.178 0.000 0.813 220 L CB 0.789 42.679 42.059 -0.282 0.000 1.157 220 L HN 0.676 nan 8.230 nan 0.000 0.436 221 K N 4.079 124.625 120.400 0.243 0.000 2.127 221 K HA 0.076 4.397 4.320 0.001 0.000 0.261 221 K C 0.868 177.434 176.600 -0.056 0.000 1.129 221 K CA -0.156 56.175 56.287 0.074 0.000 0.993 221 K CB 0.235 32.577 32.500 -0.263 0.000 1.410 221 K HN 0.692 nan 8.250 nan 0.000 0.380 222 R N 1.339 121.813 120.500 -0.044 0.000 2.075 222 R HA -0.043 4.297 4.340 0.001 0.000 0.220 222 R C 1.799 178.060 176.300 -0.064 0.000 1.118 222 R CA 2.321 58.364 56.100 -0.096 0.000 0.986 222 R CB -0.210 30.022 30.300 -0.114 0.000 0.884 222 R HN 0.600 nan 8.270 nan 0.000 0.439 223 T N -4.412 110.121 114.554 -0.035 0.000 3.023 223 T HA 0.256 4.607 4.350 0.001 0.000 0.249 223 T C 1.316 175.996 174.700 -0.034 0.000 1.050 223 T CA 0.404 62.486 62.100 -0.029 0.000 1.088 223 T CB 0.324 69.180 68.868 -0.020 0.000 0.946 223 T HN 0.403 nan 8.240 nan 0.000 0.480 224 G N 1.354 110.134 108.800 -0.033 0.000 2.136 224 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 224 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 224 G C 0.175 175.062 174.900 -0.022 0.000 0.989 224 G CA 0.179 45.241 45.100 -0.063 0.000 0.682 224 G HN 0.754 nan 8.290 nan 0.000 0.522 225 S N 0.477 116.187 115.700 0.016 0.000 2.580 225 S HA 0.338 4.809 4.470 0.001 0.000 0.266 225 S C 0.364 174.999 174.600 0.058 0.000 1.354 225 S CA -0.297 57.921 58.200 0.030 0.000 1.008 225 S CB 0.580 63.800 63.200 0.034 0.000 0.898 225 S HN 0.345 nan 8.310 nan 0.000 0.555 226 D N 1.862 122.291 120.400 0.049 0.000 2.401 226 D HA 0.318 4.958 4.640 0.001 0.000 0.254 226 D C 0.223 176.580 176.300 0.095 0.000 1.192 226 D CA 0.241 54.279 54.000 0.063 0.000 0.885 226 D CB 0.045 40.871 40.800 0.044 0.000 1.147 226 D HN 0.438 nan 8.370 nan 0.000 0.478 227 I N -1.776 118.877 120.570 0.139 0.000 3.042 227 I HA 0.475 4.646 4.170 0.001 0.000 0.310 227 I C -0.466 175.762 176.117 0.185 0.000 1.117 227 I CA -1.132 60.268 61.300 0.166 0.000 1.003 227 I CB 2.364 40.498 38.000 0.223 0.000 1.228 227 I HN -0.111 nan 8.210 nan 0.000 0.443 228 D N 2.318 122.815 120.400 0.162 0.000 2.313 228 D HA 0.213 4.853 4.640 0.001 0.000 0.247 228 D C -1.441 175.012 176.300 0.256 0.000 1.094 228 D CA 0.294 54.392 54.000 0.162 0.000 0.925 228 D CB 1.891 42.740 40.800 0.082 0.000 1.188 228 D HN 0.575 nan 8.370 nan 0.000 0.430 229 W N 1.913 123.203 121.300 -0.017 0.000 2.968 229 W HA 0.160 4.821 4.660 0.001 0.000 0.337 229 W C -1.166 175.329 176.519 -0.040 0.000 1.060 229 W CA -0.583 56.734 57.345 -0.046 0.000 1.240 229 W CB 1.548 31.004 29.460 -0.007 0.000 1.370 229 W HN 0.294 nan 8.180 nan 0.000 0.459 230 Q N 4.033 123.544 119.800 -0.482 0.000 2.390 230 Q HA 0.107 4.447 4.340 0.001 0.000 0.249 230 Q C -0.204 175.551 176.000 -0.408 0.000 0.996 230 Q CA -0.226 55.374 55.803 -0.338 0.000 0.899 230 Q CB 1.098 29.662 28.738 -0.289 0.000 1.216 230 Q HN 0.355 nan 8.270 nan 0.000 0.465 231 E N 1.937 122.054 120.200 -0.139 0.000 2.452 231 E HA 0.177 4.528 4.350 0.001 0.000 0.261 231 E C 0.856 177.415 176.600 -0.067 0.000 0.987 231 E CA 1.890 58.275 56.400 -0.025 0.000 0.926 231 E CB 0.504 30.261 29.700 0.095 0.000 0.934 231 E HN 0.810 nan 8.360 nan 0.000 0.452 232 G N 4.281 113.062 108.800 -0.031 0.000 2.729 232 G HA2 -0.386 3.574 3.960 0.001 0.000 0.216 232 G HA3 -0.386 3.574 3.960 0.001 0.000 0.216 232 G C 1.315 176.202 174.900 -0.023 0.000 1.252 232 G CA 0.451 45.544 45.100 -0.011 0.000 0.751 232 G HN 0.553 nan 8.290 nan 0.000 0.527 233 R N 1.079 121.484 120.500 -0.159 0.000 2.066 233 R HA 0.100 4.440 4.340 0.001 0.000 0.224 233 R C -0.190 175.999 176.300 -0.186 0.000 1.122 233 R CA 1.162 57.135 56.100 -0.213 0.000 0.974 233 R CB -0.107 30.028 30.300 -0.275 0.000 0.871 233 R HN 0.389 nan 8.270 nan 0.000 0.435 234 D N 0.949 121.054 120.400 -0.491 0.000 2.264 234 D HA 0.282 4.923 4.640 0.001 0.000 0.250 234 D C -0.683 175.294 176.300 -0.538 0.000 1.113 234 D CA 0.108 53.590 54.000 -0.864 0.000 0.871 234 D CB 1.501 41.106 40.800 -1.991 0.000 1.167 234 D HN 0.129 nan 8.370 nan 0.000 0.447 235 L N 1.411 122.480 121.223 -0.256 0.000 2.401 235 L HA 0.470 4.810 4.340 0.001 0.000 0.266 235 L C -0.693 176.328 176.870 0.252 0.000 0.991 235 L CA -1.076 53.829 54.840 0.109 0.000 0.818 235 L CB 1.949 44.032 42.059 0.039 0.000 1.321 235 L HN 0.261 nan 8.230 nan 0.000 0.413 236 W N 2.064 123.635 121.300 0.450 0.000 2.316 236 W HA 0.118 4.779 4.660 0.001 0.000 0.311 236 W C 0.977 177.659 176.519 0.271 0.000 1.217 236 W CA -0.282 57.264 57.345 0.336 0.000 1.199 236 W CB 1.055 30.605 29.460 0.151 0.000 1.202 236 W HN 0.614 nan 8.180 nan 0.000 0.528 237 W N 4.319 125.872 121.300 0.421 0.000 2.301 237 W HA -0.338 4.323 4.660 0.001 0.000 0.325 237 W C 2.088 178.726 176.519 0.198 0.000 1.250 237 W CA 2.402 59.904 57.345 0.262 0.000 1.261 237 W CB -0.421 29.135 29.460 0.160 0.000 1.157 237 W HN 0.538 nan 8.180 nan 0.000 0.473 238 R N 0.856 121.638 120.500 0.470 0.000 2.096 238 R HA -0.160 4.180 4.340 0.001 0.000 0.235 238 R C 1.846 178.229 176.300 0.138 0.000 1.127 238 R CA 2.270 58.529 56.100 0.265 0.000 0.968 238 R CB -0.992 29.404 30.300 0.160 0.000 0.861 238 R HN -0.036 nan 8.270 nan 0.000 0.440 239 D N 0.444 120.941 120.400 0.162 0.000 2.178 239 D HA -0.110 4.530 4.640 0.001 0.000 0.202 239 D C 1.865 178.204 176.300 0.065 0.000 0.974 239 D CA 1.192 55.260 54.000 0.113 0.000 0.841 239 D CB 0.113 41.015 40.800 0.170 0.000 0.953 239 D HN 0.345 nan 8.370 nan 0.000 0.478 240 L N 0.151 121.403 121.223 0.049 0.000 2.127 240 L HA 0.042 4.382 4.340 0.001 0.000 0.203 240 L C 2.542 179.358 176.870 -0.090 0.000 1.080 240 L CA 0.288 55.102 54.840 -0.042 0.000 0.768 240 L CB -0.075 41.930 42.059 -0.090 0.000 0.924 240 L HN -0.061 nan 8.230 nan 0.000 0.444 241 I N 0.128 120.631 120.570 -0.112 0.000 2.315 241 I HA -0.266 3.905 4.170 0.001 0.000 0.248 241 I C 2.324 178.417 176.117 -0.040 0.000 1.117 241 I CA 1.436 62.669 61.300 -0.112 0.000 1.404 241 I CB 0.151 38.056 38.000 -0.159 0.000 1.071 241 I HN 0.288 nan 8.210 nan 0.000 0.419 242 E N 0.568 120.763 120.200 -0.008 0.000 2.152 242 E HA -0.206 4.144 4.350 0.001 0.000 0.192 242 E C 2.306 178.901 176.600 -0.007 0.000 0.983 242 E CA 1.246 57.648 56.400 0.004 0.000 0.818 242 E CB -0.122 29.588 29.700 0.018 0.000 0.758 242 E HN 0.505 nan 8.360 nan 0.000 0.467 243 K N 1.111 121.502 120.400 -0.015 0.000 2.283 243 K HA 0.191 4.511 4.320 0.001 0.000 0.202 243 K C 0.962 177.542 176.600 -0.032 0.000 1.048 243 K CA 1.070 57.345 56.287 -0.020 0.000 0.948 243 K CB -0.302 32.186 32.500 -0.020 0.000 0.742 243 K HN 0.187 nan 8.250 nan 0.000 0.458 244 A N 0.463 123.255 122.820 -0.047 0.000 2.304 244 A HA 0.556 4.877 4.320 0.001 0.000 0.301 244 A C 0.445 178.009 177.584 -0.034 0.000 1.132 244 A CA 0.079 52.082 52.037 -0.056 0.000 0.819 244 A CB 0.791 19.732 19.000 -0.098 0.000 1.094 244 A HN 0.430 nan 8.150 nan 0.000 0.492 245 S N 1.659 117.344 115.700 -0.026 0.000 2.549 245 S HA 0.309 4.780 4.470 0.001 0.000 0.283 245 S C -1.355 173.244 174.600 -0.001 0.000 1.320 245 S CA -0.848 57.348 58.200 -0.007 0.000 1.058 245 S CB 0.520 63.719 63.200 -0.000 0.000 0.882 245 S HN 0.524 nan 8.310 nan 0.000 0.498 246 P HA 0.161 nan 4.420 nan 0.000 0.255 246 P C -0.489 176.826 177.300 0.024 0.000 1.248 246 P CA 0.252 63.358 63.100 0.010 0.000 0.807 246 P CB 0.170 31.883 31.700 0.022 0.000 1.150 247 E N 1.082 121.305 120.200 0.039 0.000 2.115 247 E HA 0.215 4.565 4.350 0.001 0.000 0.282 247 E C -0.391 176.256 176.600 0.079 0.000 0.987 247 E CA -0.031 56.401 56.400 0.053 0.000 0.797 247 E CB 0.804 30.523 29.700 0.033 0.000 1.086 247 E HN 0.275 nan 8.360 nan 0.000 0.397 248 H N 3.084 122.142 119.070 -0.020 0.000 2.934 248 H HA 0.146 4.702 4.556 0.001 0.000 0.340 248 H C -1.041 174.289 175.328 0.004 0.000 1.008 248 H CA -0.603 55.431 56.048 -0.024 0.000 1.317 248 H CB 1.164 30.895 29.762 -0.052 0.000 1.670 248 H HN 0.258 nan 8.280 nan 0.000 0.516 249 Q N 5.568 125.113 119.800 -0.425 0.000 2.296 249 Q HA 0.295 4.635 4.340 0.001 0.000 0.257 249 Q C -2.354 173.495 176.000 -0.251 0.000 0.942 249 Q CA -2.137 53.534 55.803 -0.221 0.000 0.939 249 Q CB 1.485 30.123 28.738 -0.166 0.000 1.198 249 Q HN 0.493 nan 8.270 nan 0.000 0.429 250 P HA 0.204 nan 4.420 nan 0.000 0.286 250 P C -0.410 176.902 177.300 0.020 0.000 1.269 250 P CA -0.221 62.932 63.100 0.087 0.000 0.787 250 P CB 1.338 33.106 31.700 0.114 0.000 0.920 251 E N 0.972 121.192 120.200 0.032 0.000 2.280 251 E HA 0.553 4.904 4.350 0.001 0.000 0.261 251 E C -0.106 176.504 176.600 0.017 0.000 1.088 251 E CA -1.115 55.292 56.400 0.011 0.000 0.915 251 E CB 1.047 30.752 29.700 0.007 0.000 1.141 251 E HN 0.459 nan 8.360 nan 0.000 0.433 252 A N 1.882 124.711 122.820 0.015 0.000 2.363 252 A HA 0.364 4.684 4.320 0.001 0.000 0.270 252 A C -0.379 177.217 177.584 0.021 0.000 1.121 252 A CA -0.267 51.781 52.037 0.018 0.000 0.800 252 A CB 0.185 19.204 19.000 0.032 0.000 1.052 252 A HN 0.372 nan 8.150 nan 0.000 0.493 253 M N 2.628 122.236 119.600 0.014 0.000 2.364 253 M HA 0.270 4.750 4.480 0.001 0.000 0.334 253 M C 0.299 176.624 176.300 0.042 0.000 1.107 253 M CA -0.782 54.527 55.300 0.016 0.000 0.988 253 M CB 1.117 33.711 32.600 -0.010 0.000 1.673 253 M HN 0.860 nan 8.290 nan 0.000 0.441 254 N N 1.069 119.803 118.700 0.057 0.000 2.479 254 N HA 0.117 4.858 4.740 0.001 0.000 0.257 254 N C 0.801 176.378 175.510 0.111 0.000 1.232 254 N CA 0.381 53.490 53.050 0.097 0.000 0.920 254 N CB 1.247 39.782 38.487 0.080 0.000 1.105 254 N HN 0.764 nan 8.380 nan 0.000 0.444 255 A N 3.369 126.311 122.820 0.205 0.000 1.958 255 A HA -0.164 4.156 4.320 0.001 0.000 0.221 255 A C 1.424 179.104 177.584 0.159 0.000 1.178 255 A CA 1.471 53.658 52.037 0.251 0.000 0.642 255 A CB -0.152 19.127 19.000 0.465 0.000 0.816 255 A HN 0.778 nan 8.150 nan 0.000 0.453 256 E N 0.780 121.048 120.200 0.113 0.000 2.444 256 E HA 0.070 4.421 4.350 0.001 0.000 0.191 256 E C -0.778 175.829 176.600 0.012 0.000 1.041 256 E CA -0.193 56.241 56.400 0.056 0.000 0.883 256 E CB -0.119 29.604 29.700 0.038 0.000 1.024 256 E HN 0.505 nan 8.360 nan 0.000 0.470 257 D N 2.852 123.260 120.400 0.014 0.000 2.425 257 D HA 0.061 4.701 4.640 0.001 0.000 0.247 257 D C -2.200 174.071 176.300 -0.048 0.000 1.147 257 D CA -1.535 52.458 54.000 -0.012 0.000 0.879 257 D CB 0.699 41.496 40.800 -0.005 0.000 1.179 257 D HN -0.029 nan 8.370 nan 0.000 0.456 258 P HA -0.062 nan 4.420 nan 0.000 0.264 258 P C 0.446 177.658 177.300 -0.147 0.000 1.193 258 P CA -0.263 62.769 63.100 -0.114 0.000 0.763 258 P CB 0.974 32.624 31.700 -0.083 0.000 0.810 259 L N 5.041 126.120 121.223 -0.240 0.000 2.262 259 L HA 0.341 4.682 4.340 0.001 0.000 0.197 259 L C 0.356 177.071 176.870 -0.258 0.000 1.073 259 L CA 1.420 56.108 54.840 -0.253 0.000 0.800 259 L CB -0.257 41.606 42.059 -0.327 0.000 0.987 259 L HN 0.440 nan 8.230 nan 0.000 0.470 260 F N -1.517 118.249 119.950 -0.307 0.000 2.678 260 F HA 0.630 5.157 4.527 0.001 0.000 0.308 260 F C -1.178 174.536 175.800 -0.144 0.000 1.118 260 F CA -1.752 56.056 58.000 -0.320 0.000 0.959 260 F CB 0.370 39.096 39.000 -0.457 0.000 1.305 260 F HN -0.333 nan 8.300 nan 0.000 0.443 261 I N 3.559 124.227 120.570 0.163 0.000 2.392 261 I HA 0.507 4.678 4.170 0.001 0.000 0.295 261 I C -0.738 175.527 176.117 0.247 0.000 0.985 261 I CA -1.029 60.301 61.300 0.051 0.000 1.221 261 I CB 1.494 39.377 38.000 -0.196 0.000 1.366 261 I HN 0.703 nan 8.210 nan 0.000 0.467 262 L N 6.248 127.563 121.223 0.153 0.000 2.404 262 L HA 0.374 4.714 4.340 0.001 0.000 0.272 262 L C -1.141 175.765 176.870 0.060 0.000 0.980 262 L CA -0.739 54.214 54.840 0.189 0.000 0.836 262 L CB 1.864 44.077 42.059 0.257 0.000 1.238 262 L HN 0.401 nan 8.230 nan 0.000 0.408 263 Y N 2.328 122.754 120.300 0.211 0.000 2.402 263 Y HA 0.237 4.788 4.550 0.001 0.000 0.333 263 Y C 0.602 176.646 175.900 0.240 0.000 1.076 263 Y CA 0.355 58.565 58.100 0.183 0.000 1.299 263 Y CB 1.077 39.593 38.460 0.095 0.000 1.197 263 Y HN 0.383 nan 8.280 nan 0.000 0.517 264 T N 2.365 117.095 114.554 0.293 0.000 2.886 264 T HA 0.298 4.648 4.350 0.001 0.000 0.292 264 T C -0.438 174.386 174.700 0.207 0.000 1.012 264 T CA -1.057 61.192 62.100 0.247 0.000 0.982 264 T CB 1.166 70.154 68.868 0.200 0.000 1.018 264 T HN 0.435 nan 8.240 nan 0.000 0.451 265 S N 1.643 117.444 115.700 0.169 0.000 2.549 265 S HA 0.577 5.048 4.470 0.001 0.000 0.279 265 S C 0.773 175.426 174.600 0.088 0.000 1.321 265 S CA -0.657 57.617 58.200 0.123 0.000 1.054 265 S CB 0.748 64.006 63.200 0.098 0.000 0.899 265 S HN 0.911 nan 8.310 nan 0.000 0.497 266 G N 0.492 109.331 108.800 0.066 0.000 2.644 266 G HA2 0.434 4.395 3.960 0.001 0.000 0.307 266 G HA3 0.434 4.395 3.960 0.001 0.000 0.307 266 G C 0.769 175.668 174.900 -0.000 0.000 1.250 266 G CA -0.555 44.556 45.100 0.019 0.000 0.996 266 G HN 0.588 nan 8.290 nan 0.000 0.489 267 S N -1.363 114.316 115.700 -0.035 0.000 2.400 267 S HA -0.032 4.438 4.470 0.001 0.000 0.232 267 S C 1.286 175.877 174.600 -0.017 0.000 1.025 267 S CA 1.819 60.001 58.200 -0.029 0.000 0.993 267 S CB -0.302 62.867 63.200 -0.051 0.000 0.808 267 S HN 1.104 nan 8.310 nan 0.000 0.478 268 T N -1.916 112.624 114.554 -0.022 0.000 2.912 268 T HA 0.648 4.998 4.350 0.001 0.000 0.299 268 T C 0.031 174.733 174.700 0.004 0.000 1.052 268 T CA -0.113 61.980 62.100 -0.010 0.000 0.996 268 T CB 1.373 70.226 68.868 -0.025 0.000 1.070 268 T HN 0.767 nan 8.240 nan 0.000 0.465 269 G N 2.110 110.921 108.800 0.017 0.000 2.829 269 G HA2 -0.049 3.912 3.960 0.001 0.000 0.628 269 G HA3 -0.049 3.912 3.960 0.001 0.000 0.628 269 G C -0.551 174.377 174.900 0.047 0.000 1.412 269 G CA -0.912 44.206 45.100 0.030 0.000 0.864 269 G HN 0.874 nan 8.290 nan 0.000 0.544 270 K N 0.563 120.995 120.400 0.055 0.000 2.455 270 K HA 0.192 4.513 4.320 0.001 0.000 0.269 270 K C -1.954 174.708 176.600 0.105 0.000 0.972 270 K CA -0.696 55.632 56.287 0.068 0.000 0.938 270 K CB -0.155 32.378 32.500 0.056 0.000 0.931 270 K HN 0.316 nan 8.250 nan 0.000 0.507 271 P HA 0.034 nan 4.420 nan 0.000 0.265 271 P C -0.361 177.130 177.300 0.318 0.000 1.193 271 P CA 0.380 63.603 63.100 0.207 0.000 0.765 271 P CB 0.529 32.362 31.700 0.223 0.000 0.823 272 K N 1.505 122.069 120.400 0.273 0.000 2.221 272 K HA 0.512 4.833 4.320 0.001 0.000 0.243 272 K C 0.478 177.077 176.600 -0.002 0.000 0.968 272 K CA -0.804 55.624 56.287 0.235 0.000 0.846 272 K CB 1.563 34.169 32.500 0.175 0.000 1.141 272 K HN 0.495 nan 8.250 nan 0.000 0.434 273 G N 0.916 109.542 108.800 -0.291 0.000 2.444 273 G HA2 0.282 4.242 3.960 0.001 0.000 0.303 273 G HA3 0.282 4.242 3.960 0.001 0.000 0.303 273 G C -0.111 174.689 174.900 -0.167 0.000 1.032 273 G CA -0.427 44.279 45.100 -0.657 0.000 1.137 273 G HN 0.205 nan 8.290 nan 0.000 0.430 274 V N 4.163 124.026 119.914 -0.084 0.000 2.479 274 V HA 0.124 4.245 4.120 0.001 0.000 0.281 274 V C 0.562 176.597 176.094 -0.099 0.000 1.031 274 V CA -0.176 62.116 62.300 -0.014 0.000 1.038 274 V CB 1.048 32.917 31.823 0.076 0.000 0.981 274 V HN 0.616 nan 8.190 nan 0.000 0.478 275 L N 6.113 127.209 121.223 -0.211 0.000 2.296 275 L HA 0.561 4.901 4.340 0.001 0.000 0.286 275 L C -0.371 176.185 176.870 -0.525 0.000 1.023 275 L CA -0.280 54.386 54.840 -0.290 0.000 0.812 275 L CB 0.722 42.680 42.059 -0.169 0.000 1.223 275 L HN 0.619 nan 8.230 nan 0.000 0.421 276 H N 2.994 121.727 119.070 -0.561 0.000 2.489 276 H HA 0.336 4.892 4.556 0.001 0.000 0.343 276 H C -0.085 174.914 175.328 -0.548 0.000 1.086 276 H CA -0.274 55.392 56.048 -0.637 0.000 1.198 276 H CB 1.948 31.020 29.762 -1.150 0.000 1.490 276 H HN 0.744 nan 8.280 nan 0.000 0.504 277 T N -0.261 114.178 114.554 -0.192 0.000 2.994 277 T HA 0.143 4.493 4.350 0.001 0.000 0.322 277 T C 1.088 175.742 174.700 -0.077 0.000 1.199 277 T CA -0.025 61.999 62.100 -0.126 0.000 0.945 277 T CB 0.400 69.240 68.868 -0.046 0.000 1.754 277 T HN 0.455 nan 8.240 nan 0.000 0.571 278 T N -0.670 113.884 114.554 0.001 0.000 3.111 278 T HA 0.303 4.654 4.350 0.001 0.000 0.236 278 T C 2.174 176.919 174.700 0.075 0.000 0.984 278 T CA 0.478 62.584 62.100 0.010 0.000 1.195 278 T CB -0.962 67.882 68.868 -0.039 0.000 0.929 278 T HN 0.710 nan 8.240 nan 0.000 0.431 279 G N 1.349 110.224 108.800 0.125 0.000 2.524 279 G HA2 -0.014 3.947 3.960 0.001 0.000 0.215 279 G HA3 -0.014 3.947 3.960 0.001 0.000 0.215 279 G C 1.719 176.795 174.900 0.294 0.000 1.239 279 G CA 1.062 46.287 45.100 0.208 0.000 0.798 279 G HN 0.533 nan 8.290 nan 0.000 0.557 280 G N -0.350 108.671 108.800 0.368 0.000 2.418 280 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 280 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 280 G C 1.628 176.556 174.900 0.046 0.000 1.158 280 G CA 1.205 46.419 45.100 0.189 0.000 0.771 280 G HN 0.434 nan 8.290 nan 0.000 0.545 281 Y N 0.873 121.167 120.300 -0.009 0.000 2.040 281 Y HA -0.222 4.329 4.550 0.001 0.000 0.275 281 Y C 2.461 178.367 175.900 0.009 0.000 1.171 281 Y CA 2.157 60.250 58.100 -0.011 0.000 1.123 281 Y CB -0.501 37.930 38.460 -0.049 0.000 0.963 281 Y HN 0.148 nan 8.280 nan 0.000 0.493 282 L N -0.619 120.555 121.223 -0.081 0.000 2.109 282 L HA -0.084 4.257 4.340 0.001 0.000 0.207 282 L C 2.325 179.112 176.870 -0.138 0.000 1.086 282 L CA 1.375 56.102 54.840 -0.188 0.000 0.760 282 L CB -0.861 41.151 42.059 -0.078 0.000 0.910 282 L HN 0.214 nan 8.230 nan 0.000 0.437 283 V N -1.027 118.885 119.914 -0.003 0.000 2.287 283 V HA -0.360 3.761 4.120 0.001 0.000 0.248 283 V C 2.253 178.403 176.094 0.094 0.000 1.053 283 V CA 2.275 64.644 62.300 0.114 0.000 1.027 283 V CB -0.842 31.144 31.823 0.272 0.000 0.646 283 V HN 0.553 nan 8.190 nan 0.000 0.447 284 Y N 0.690 120.910 120.300 -0.133 0.000 2.163 284 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 284 Y C 2.437 178.199 175.900 -0.230 0.000 1.136 284 Y CA 1.613 59.627 58.100 -0.143 0.000 1.147 284 Y CB -0.383 37.947 38.460 -0.217 0.000 0.987 284 Y HN 0.180 nan 8.280 nan 0.000 0.509 285 A N 0.262 122.838 122.820 -0.406 0.000 1.883 285 A HA -0.240 4.081 4.320 0.001 0.000 0.217 285 A C 2.362 179.748 177.584 -0.330 0.000 1.186 285 A CA 2.165 53.855 52.037 -0.577 0.000 0.624 285 A CB -1.517 17.038 19.000 -0.740 0.000 0.822 285 A HN 0.573 nan 8.150 nan 0.000 0.444 286 A N -1.023 121.676 122.820 -0.201 0.000 1.855 286 A HA -0.061 4.259 4.320 0.001 0.000 0.215 286 A C 2.337 179.903 177.584 -0.031 0.000 1.191 286 A CA 2.353 54.341 52.037 -0.083 0.000 0.613 286 A CB -1.448 17.522 19.000 -0.049 0.000 0.829 286 A HN 0.459 nan 8.150 nan 0.000 0.442 287 T N 0.617 115.169 114.554 -0.003 0.000 2.635 287 T HA -0.215 4.135 4.350 0.001 0.000 0.267 287 T C 2.165 176.882 174.700 0.029 0.000 1.040 287 T CA 2.611 64.753 62.100 0.070 0.000 1.156 287 T CB -1.106 68.019 68.868 0.429 0.000 0.863 287 T HN 0.815 nan 8.240 nan 0.000 0.430 288 T N 1.121 115.517 114.554 -0.264 0.000 2.674 288 T HA -0.163 4.187 4.350 0.001 0.000 0.265 288 T C 1.702 176.250 174.700 -0.254 0.000 1.039 288 T CA 1.307 63.039 62.100 -0.614 0.000 1.150 288 T CB -1.113 67.075 68.868 -1.134 0.000 0.864 288 T HN 0.281 nan 8.240 nan 0.000 0.427 289 F N 2.879 122.702 119.950 -0.212 0.000 2.045 289 F HA -0.198 4.330 4.527 0.001 0.000 0.297 289 F C 2.526 178.366 175.800 0.066 0.000 1.114 289 F CA 2.313 60.335 58.000 0.037 0.000 1.207 289 F CB -0.429 38.559 39.000 -0.021 0.000 0.964 289 F HN 0.163 nan 8.300 nan 0.000 0.486 290 K N -0.857 119.534 120.400 -0.015 0.000 2.009 290 K HA -0.239 4.081 4.320 0.001 0.000 0.210 290 K C 2.239 178.791 176.600 -0.079 0.000 1.049 290 K CA 2.203 58.422 56.287 -0.114 0.000 0.929 290 K CB -0.724 31.641 32.500 -0.225 0.000 0.714 290 K HN 0.498 nan 8.250 nan 0.000 0.440 291 Y N -0.196 120.172 120.300 0.113 0.000 2.286 291 Y HA -0.130 4.420 4.550 0.001 0.000 0.293 291 Y C 2.272 178.201 175.900 0.049 0.000 1.124 291 Y CA 0.317 58.511 58.100 0.157 0.000 1.178 291 Y CB 0.261 38.933 38.460 0.353 0.000 1.010 291 Y HN -0.111 nan 8.280 nan 0.000 0.536 292 V N -0.914 119.037 119.914 0.061 0.000 2.453 292 V HA -0.245 3.875 4.120 0.001 0.000 0.247 292 V C 1.318 177.177 176.094 -0.391 0.000 1.048 292 V CA 1.626 63.792 62.300 -0.224 0.000 1.049 292 V CB -0.519 31.043 31.823 -0.436 0.000 0.672 292 V HN 0.341 nan 8.190 nan 0.000 0.457 293 F N -0.515 119.354 119.950 -0.136 0.000 2.765 293 F HA 0.204 4.732 4.527 0.001 0.000 0.302 293 F C 1.162 176.938 175.800 -0.041 0.000 1.111 293 F CA 0.366 58.275 58.000 -0.152 0.000 1.359 293 F CB -0.025 38.764 39.000 -0.353 0.000 1.097 293 F HN 0.176 nan 8.300 nan 0.000 0.577 294 D N 0.189 120.676 120.400 0.146 0.000 2.708 294 D HA -0.325 4.315 4.640 0.001 0.000 0.236 294 D C -0.178 176.276 176.300 0.256 0.000 1.146 294 D CA 0.308 54.435 54.000 0.213 0.000 0.662 294 D CB -1.533 39.403 40.800 0.227 0.000 1.059 294 D HN 0.391 nan 8.370 nan 0.000 0.428 295 Y N 0.806 121.119 120.300 0.022 0.000 2.632 295 Y HA 0.254 4.804 4.550 0.001 0.000 0.329 295 Y C 0.476 176.424 175.900 0.080 0.000 1.174 295 Y CA 0.459 58.588 58.100 0.049 0.000 1.469 295 Y CB 0.350 38.769 38.460 -0.068 0.000 1.242 295 Y HN 0.154 nan 8.280 nan 0.000 0.540 296 H N 6.295 125.069 119.070 -0.493 0.000 2.529 296 H HA 0.372 4.929 4.556 0.001 0.000 0.348 296 H C -2.366 172.635 175.328 -0.544 0.000 1.152 296 H CA -2.339 53.522 56.048 -0.311 0.000 1.202 296 H CB 1.069 30.717 29.762 -0.190 0.000 1.562 296 H HN 0.477 nan 8.280 nan 0.000 0.515 297 P HA 0.016 nan 4.420 nan 0.000 0.262 297 P C 0.830 178.129 177.300 -0.002 0.000 1.182 297 P CA 1.531 64.673 63.100 0.071 0.000 0.761 297 P CB 0.460 32.222 31.700 0.104 0.000 0.795 298 G N 2.043 110.887 108.800 0.073 0.000 2.213 298 G HA2 -0.187 3.774 3.960 0.001 0.000 0.236 298 G HA3 -0.187 3.774 3.960 0.001 0.000 0.236 298 G C -0.119 174.804 174.900 0.038 0.000 0.991 298 G CA -0.368 44.775 45.100 0.072 0.000 0.629 298 G HN 0.499 nan 8.290 nan 0.000 0.517 299 D N 1.259 121.575 120.400 -0.140 0.000 2.425 299 D HA 0.358 4.998 4.640 0.001 0.000 0.247 299 D C 0.919 177.394 176.300 0.292 0.000 1.147 299 D CA 0.063 54.033 54.000 -0.050 0.000 0.879 299 D CB 0.725 41.327 40.800 -0.329 0.000 1.179 299 D HN 0.137 nan 8.370 nan 0.000 0.456 300 I N 3.055 123.769 120.570 0.240 0.000 2.337 300 I HA 0.064 4.235 4.170 0.001 0.000 0.291 300 I C -0.130 176.195 176.117 0.347 0.000 1.046 300 I CA -0.559 60.904 61.300 0.272 0.000 1.324 300 I CB -0.433 37.665 38.000 0.163 0.000 1.409 300 I HN 0.297 nan 8.210 nan 0.000 0.494 301 Y N 7.348 127.820 120.300 0.286 0.000 2.331 301 Y HA 0.373 4.924 4.550 0.001 0.000 0.338 301 Y C -1.082 174.992 175.900 0.290 0.000 0.976 301 Y CA -0.642 57.624 58.100 0.276 0.000 1.137 301 Y CB 1.089 39.758 38.460 0.349 0.000 1.172 301 Y HN 0.598 nan 8.280 nan 0.000 0.478 302 W N 8.838 129.788 121.300 -0.584 0.000 2.336 302 W HA 0.482 5.142 4.660 0.001 0.000 0.315 302 W C -1.481 174.662 176.519 -0.627 0.000 1.016 302 W CA -1.797 55.255 57.345 -0.488 0.000 1.318 302 W CB 0.726 30.060 29.460 -0.209 0.000 1.247 302 W HN 0.779 nan 8.180 nan 0.000 0.414 303 C N 6.540 125.637 119.300 -0.339 0.000 2.307 303 C HA 0.482 4.942 4.460 0.001 0.000 0.340 303 C C 1.658 176.591 174.990 -0.094 0.000 1.275 303 C CA 0.306 59.250 59.018 -0.123 0.000 1.811 303 C CB 0.058 27.991 27.740 0.322 0.000 2.372 303 C HN 0.756 nan 8.230 nan 0.000 0.531 304 T N 2.690 117.061 114.554 -0.305 0.000 3.107 304 T HA 0.291 4.641 4.350 0.001 0.000 0.249 304 T C 0.705 175.434 174.700 0.048 0.000 1.096 304 T CA 0.483 62.471 62.100 -0.187 0.000 1.012 304 T CB -0.160 68.477 68.868 -0.386 0.000 0.977 304 T HN 1.081 nan 8.240 nan 0.000 0.527 305 A N 1.704 124.568 122.820 0.073 0.000 2.425 305 A HA 0.295 4.615 4.320 0.001 0.000 0.249 305 A C 0.394 178.114 177.584 0.227 0.000 1.084 305 A CA -0.521 51.613 52.037 0.161 0.000 0.781 305 A CB -0.023 19.101 19.000 0.207 0.000 1.019 305 A HN 0.493 nan 8.150 nan 0.000 0.490 306 D N 1.653 122.219 120.400 0.276 0.000 2.443 306 D HA -0.023 4.618 4.640 0.001 0.000 0.239 306 D C 1.279 177.674 176.300 0.160 0.000 1.136 306 D CA 0.107 54.239 54.000 0.220 0.000 0.879 306 D CB 1.220 42.193 40.800 0.289 0.000 1.195 306 D HN 0.255 nan 8.370 nan 0.000 0.443 307 V N 4.227 124.186 119.914 0.074 0.000 2.688 307 V HA -0.142 3.979 4.120 0.001 0.000 0.256 307 V C 1.980 178.098 176.094 0.041 0.000 1.084 307 V CA 2.390 64.701 62.300 0.018 0.000 1.103 307 V CB -0.309 31.460 31.823 -0.090 0.000 0.688 307 V HN 0.743 nan 8.190 nan 0.000 0.480 308 G N -1.426 107.334 108.800 -0.066 0.000 2.776 308 G HA2 -0.060 3.901 3.960 0.001 0.000 0.209 308 G HA3 -0.060 3.901 3.960 0.001 0.000 0.209 308 G C 0.182 174.815 174.900 -0.445 0.000 1.145 308 G CA -0.211 44.751 45.100 -0.229 0.000 0.791 308 G HN 0.619 nan 8.290 nan 0.000 0.530 309 W N -2.480 118.926 121.300 0.177 0.000 2.820 309 W HA 0.490 5.150 4.660 0.001 0.000 0.350 309 W C 1.028 177.563 176.519 0.027 0.000 1.116 309 W CA -1.222 56.155 57.345 0.052 0.000 1.146 309 W CB 1.314 30.775 29.460 0.002 0.000 1.433 309 W HN -0.251 nan 8.180 nan 0.000 0.561 310 V N 1.155 121.219 119.914 0.249 0.000 2.380 310 V HA -0.294 3.827 4.120 0.001 0.000 0.251 310 V C 1.622 178.033 176.094 0.528 0.000 1.063 310 V CA 3.005 65.431 62.300 0.211 0.000 1.055 310 V CB -0.596 31.345 31.823 0.197 0.000 0.657 310 V HN 0.830 nan 8.190 nan 0.000 0.455 311 T N -0.050 114.827 114.554 0.538 0.000 2.746 311 T HA -0.079 4.272 4.350 0.001 0.000 0.267 311 T C 1.749 176.822 174.700 0.621 0.000 1.039 311 T CA 1.372 63.945 62.100 0.789 0.000 1.142 311 T CB -0.773 68.437 68.868 0.571 0.000 0.866 311 T HN 0.659 nan 8.240 nan 0.000 0.444 312 G N 0.703 109.773 108.800 0.449 0.000 2.432 312 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 312 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 312 G C 1.285 176.320 174.900 0.225 0.000 1.135 312 G CA 0.746 46.038 45.100 0.320 0.000 0.767 312 G HN 0.481 nan 8.290 nan 0.000 0.550 313 H N 0.713 119.816 119.070 0.054 0.000 2.276 313 H HA 0.069 4.625 4.556 0.001 0.000 0.301 313 H C 3.009 178.335 175.328 -0.004 0.000 1.073 313 H CA 1.573 57.553 56.048 -0.113 0.000 1.311 313 H CB -0.317 29.350 29.762 -0.159 0.000 1.379 313 H HN 0.291 nan 8.280 nan 0.000 0.494 314 S N -0.773 115.095 115.700 0.279 0.000 2.371 314 S HA -0.057 4.414 4.470 0.001 0.000 0.224 314 S C 0.995 175.294 174.600 -0.501 0.000 1.029 314 S CA 1.100 59.199 58.200 -0.168 0.000 0.978 314 S CB 0.020 62.907 63.200 -0.520 0.000 0.833 314 S HN 0.467 nan 8.310 nan 0.000 0.466 315 Y N -0.629 119.837 120.300 0.278 0.000 2.563 315 Y HA 0.409 4.960 4.550 0.001 0.000 0.250 315 Y C 1.555 177.732 175.900 0.461 0.000 1.126 315 Y CA -0.391 57.932 58.100 0.373 0.000 1.231 315 Y CB 0.348 39.208 38.460 0.668 0.000 1.288 315 Y HN 0.116 nan 8.280 nan 0.000 0.537 316 L N -0.317 121.148 121.223 0.403 0.000 2.202 316 L HA 0.098 4.438 4.340 0.001 0.000 0.205 316 L C 1.206 178.132 176.870 0.094 0.000 1.083 316 L CA 1.566 56.584 54.840 0.296 0.000 0.790 316 L CB -0.126 42.060 42.059 0.212 0.000 0.942 316 L HN 0.298 nan 8.230 nan 0.000 0.452 317 L N -2.550 118.629 121.223 -0.074 0.000 2.919 317 L HA -0.029 4.311 4.340 0.001 0.000 0.169 317 L C 2.466 179.224 176.870 -0.185 0.000 1.228 317 L CA 0.155 54.855 54.840 -0.235 0.000 0.862 317 L CB -0.670 41.067 42.059 -0.536 0.000 1.313 317 L HN 0.016 nan 8.230 nan 0.000 0.526 318 Y N 1.017 121.272 120.300 -0.073 0.000 2.114 318 Y HA -0.122 4.429 4.550 0.001 0.000 0.284 318 Y C 2.533 178.295 175.900 -0.230 0.000 1.143 318 Y CA 1.187 59.242 58.100 -0.075 0.000 1.135 318 Y CB -1.534 36.985 38.460 0.098 0.000 0.980 318 Y HN 0.214 nan 8.280 nan 0.000 0.499 319 G N 0.315 108.976 108.800 -0.232 0.000 2.514 319 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 319 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 319 G C -0.569 173.861 174.900 -0.784 0.000 1.198 319 G CA 1.149 45.989 45.100 -0.432 0.000 0.780 319 G HN 0.302 nan 8.290 nan 0.000 0.565 320 P HA -0.034 nan 4.420 nan 0.000 0.215 320 P C 2.139 179.082 177.300 -0.594 0.000 1.157 320 P CA 0.791 63.039 63.100 -1.420 0.000 0.863 320 P CB -0.165 30.930 31.700 -1.009 0.000 0.787 321 L N -0.925 120.130 121.223 -0.279 0.000 2.046 321 L HA -0.158 4.182 4.340 0.001 0.000 0.208 321 L C 2.537 179.434 176.870 0.045 0.000 1.077 321 L CA 1.583 56.413 54.840 -0.017 0.000 0.747 321 L CB -1.370 40.739 42.059 0.082 0.000 0.896 321 L HN -0.055 nan 8.230 nan 0.000 0.432 322 A N -0.940 121.882 122.820 0.003 0.000 1.986 322 A HA -0.247 4.074 4.320 0.001 0.000 0.220 322 A C 2.170 179.791 177.584 0.062 0.000 1.171 322 A CA 1.954 54.028 52.037 0.063 0.000 0.640 322 A CB -1.052 17.930 19.000 -0.030 0.000 0.811 322 A HN 0.584 nan 8.150 nan 0.000 0.451 323 C N -1.105 118.122 119.300 -0.121 0.000 2.697 323 C HA 0.441 4.901 4.460 0.001 0.000 0.267 323 C C 1.890 176.775 174.990 -0.176 0.000 1.278 323 C CA 0.038 59.003 59.018 -0.089 0.000 1.708 323 C CB -1.342 26.351 27.740 -0.077 0.000 1.860 323 C HN 1.066 nan 8.230 nan 0.000 0.589 324 G N 1.231 109.759 108.800 -0.454 0.000 2.225 324 G HA2 -0.098 3.862 3.960 0.001 0.000 0.267 324 G HA3 -0.098 3.862 3.960 0.001 0.000 0.267 324 G C 0.227 175.007 174.900 -0.201 0.000 1.024 324 G CA 0.384 45.004 45.100 -0.801 0.000 0.784 324 G HN 0.895 nan 8.290 nan 0.000 0.507 325 A N -0.737 121.953 122.820 -0.217 0.000 2.327 325 A HA 0.735 5.055 4.320 0.001 0.000 0.255 325 A C 0.787 178.411 177.584 0.067 0.000 1.099 325 A CA 0.850 52.737 52.037 -0.250 0.000 0.801 325 A CB 0.507 18.984 19.000 -0.872 0.000 1.062 325 A HN 0.781 nan 8.150 nan 0.000 0.496 326 T N 1.369 116.048 114.554 0.209 0.000 2.753 326 T HA 0.471 4.821 4.350 0.001 0.000 0.297 326 T C -0.023 174.793 174.700 0.194 0.000 0.981 326 T CA 0.097 62.301 62.100 0.172 0.000 0.956 326 T CB 0.614 69.608 68.868 0.209 0.000 0.936 326 T HN 0.707 nan 8.240 nan 0.000 0.463 327 T N 3.823 118.440 114.554 0.105 0.000 2.855 327 T HA 0.647 4.997 4.350 0.001 0.000 0.281 327 T C -0.625 174.113 174.700 0.063 0.000 1.007 327 T CA -0.760 61.461 62.100 0.200 0.000 1.009 327 T CB 0.623 69.599 68.868 0.179 0.000 0.983 327 T HN 0.482 nan 8.240 nan 0.000 0.455 328 L N 5.836 127.094 121.223 0.058 0.000 2.295 328 L HA 0.666 5.006 4.340 0.001 0.000 0.285 328 L C -0.357 176.503 176.870 -0.016 0.000 1.035 328 L CA -0.764 53.997 54.840 -0.131 0.000 0.806 328 L CB 1.241 43.070 42.059 -0.383 0.000 1.214 328 L HN 0.707 nan 8.230 nan 0.000 0.426 329 M N 5.426 125.009 119.600 -0.028 0.000 2.114 329 M HA 0.337 4.817 4.480 0.001 0.000 0.332 329 M C -1.752 174.598 176.300 0.083 0.000 1.014 329 M CA -0.643 54.729 55.300 0.120 0.000 0.956 329 M CB 1.220 33.928 32.600 0.180 0.000 1.551 329 M HN 0.571 nan 8.290 nan 0.000 0.427 330 F N 4.252 124.195 119.950 -0.013 0.000 2.415 330 F HA 0.299 4.826 4.527 0.001 0.000 0.348 330 F C 0.953 176.739 175.800 -0.024 0.000 1.119 330 F CA -0.561 57.376 58.000 -0.106 0.000 1.069 330 F CB 1.100 40.182 39.000 0.137 0.000 1.124 330 F HN 0.790 nan 8.300 nan 0.000 0.472 331 E N 3.124 123.036 120.200 -0.480 0.000 2.208 331 E HA 0.082 4.432 4.350 0.001 0.000 0.193 331 E C 0.970 177.166 176.600 -0.673 0.000 0.988 331 E CA 0.725 56.893 56.400 -0.386 0.000 0.828 331 E CB 0.081 29.654 29.700 -0.212 0.000 0.763 331 E HN 0.892 nan 8.360 nan 0.000 0.478 332 G N 0.165 108.038 108.800 -1.544 0.000 2.940 332 G HA2 0.437 4.397 3.960 0.001 0.000 0.164 332 G HA3 0.437 4.397 3.960 0.001 0.000 0.164 332 G C -0.410 174.070 174.900 -0.701 0.000 1.326 332 G CA 0.048 44.512 45.100 -1.060 0.000 1.020 332 G HN 0.138 nan 8.290 nan 0.000 0.586 333 V N -2.457 117.405 119.914 -0.087 0.000 2.815 333 V HA 0.573 4.694 4.120 0.001 0.000 0.314 333 V C -1.761 174.672 176.094 0.566 0.000 1.064 333 V CA -1.938 60.512 62.300 0.250 0.000 0.952 333 V CB 2.067 33.985 31.823 0.158 0.000 1.020 333 V HN 0.482 nan 8.190 nan 0.000 0.439 334 P HA -0.122 nan 4.420 nan 0.000 0.226 334 P C 0.471 177.920 177.300 0.248 0.000 1.146 334 P CA 1.762 65.056 63.100 0.324 0.000 0.773 334 P CB -0.212 31.587 31.700 0.166 0.000 0.772 335 N N -3.941 114.918 118.700 0.265 0.000 2.305 335 N HA 0.110 4.851 4.740 0.001 0.000 0.248 335 N C -0.851 174.812 175.510 0.256 0.000 1.290 335 N CA -0.715 52.457 53.050 0.203 0.000 0.873 335 N CB 0.008 38.584 38.487 0.149 0.000 1.261 335 N HN -0.005 nan 8.380 nan 0.000 0.504 336 W N 1.964 123.337 121.300 0.122 0.000 2.785 336 W HA 0.473 5.134 4.660 0.001 0.000 0.333 336 W C -2.404 174.176 176.519 0.103 0.000 1.062 336 W CA -1.752 55.648 57.345 0.091 0.000 1.233 336 W CB 2.170 31.672 29.460 0.070 0.000 1.413 336 W HN -0.158 nan 8.180 nan 0.000 0.489 337 P HA -0.032 nan 4.420 nan 0.000 0.226 337 P C 0.007 176.981 177.300 -0.544 0.000 1.153 337 P CA 1.416 63.751 63.100 -1.275 0.000 0.777 337 P CB 0.289 31.338 31.700 -1.085 0.000 0.794 338 T N -7.301 107.118 114.554 -0.226 0.000 2.896 338 T HA 0.412 4.763 4.350 0.001 0.000 0.297 338 T C -2.554 172.145 174.700 -0.002 0.000 1.108 338 T CA -2.358 59.682 62.100 -0.099 0.000 1.004 338 T CB 1.835 70.644 68.868 -0.097 0.000 1.159 338 T HN -0.367 nan 8.240 nan 0.000 0.499 339 P HA -0.034 nan 4.420 nan 0.000 0.218 339 P C 1.362 178.704 177.300 0.071 0.000 1.146 339 P CA 1.350 64.486 63.100 0.060 0.000 0.813 339 P CB -0.215 31.519 31.700 0.057 0.000 0.778 340 A N -0.952 121.894 122.820 0.043 0.000 2.235 340 A HA -0.075 4.246 4.320 0.001 0.000 0.208 340 A C 2.221 179.825 177.584 0.033 0.000 1.172 340 A CA 0.681 52.742 52.037 0.040 0.000 0.786 340 A CB -0.907 18.101 19.000 0.012 0.000 0.804 340 A HN -0.046 nan 8.150 nan 0.000 0.479 341 R N 0.192 120.719 120.500 0.044 0.000 2.096 341 R HA -0.188 4.153 4.340 0.001 0.000 0.240 341 R C 1.998 178.311 176.300 0.022 0.000 1.139 341 R CA 2.467 58.590 56.100 0.038 0.000 0.952 341 R CB -0.687 29.684 30.300 0.118 0.000 0.854 341 R HN 0.567 nan 8.270 nan 0.000 0.436 342 M N -0.732 118.922 119.600 0.089 0.000 2.082 342 M HA -0.260 4.220 4.480 0.001 0.000 0.258 342 M C 1.960 178.356 176.300 0.160 0.000 1.069 342 M CA 2.274 57.669 55.300 0.159 0.000 1.102 342 M CB -0.260 32.407 32.600 0.111 0.000 1.336 342 M HN 0.365 nan 8.290 nan 0.000 0.404 343 C N 0.306 119.657 119.300 0.086 0.000 2.432 343 C HA -0.093 4.367 4.460 0.001 0.000 0.280 343 C C 2.497 177.486 174.990 -0.003 0.000 1.353 343 C CA 0.709 59.757 59.018 0.049 0.000 1.766 343 C CB -1.202 26.552 27.740 0.023 0.000 1.924 343 C HN 0.634 nan 8.230 nan 0.000 0.509 344 Q N 0.304 120.086 119.800 -0.031 0.000 2.061 344 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 344 Q C 2.313 178.220 176.000 -0.155 0.000 0.984 344 Q CA 1.724 57.475 55.803 -0.086 0.000 0.846 344 Q CB -0.193 28.494 28.738 -0.086 0.000 0.902 344 Q HN 0.591 nan 8.270 nan 0.000 0.421 345 V N 0.059 119.855 119.914 -0.196 0.000 2.332 345 V HA -0.247 3.874 4.120 0.001 0.000 0.248 345 V C 2.215 178.170 176.094 -0.233 0.000 1.055 345 V CA 1.448 63.538 62.300 -0.350 0.000 1.038 345 V CB -0.613 30.755 31.823 -0.757 0.000 0.651 345 V HN 0.201 nan 8.190 nan 0.000 0.450 346 V N 0.359 120.248 119.914 -0.041 0.000 2.287 346 V HA -0.288 3.833 4.120 0.001 0.000 0.248 346 V C 2.317 178.387 176.094 -0.039 0.000 1.053 346 V CA 2.383 64.705 62.300 0.036 0.000 1.027 346 V CB -0.706 31.176 31.823 0.099 0.000 0.646 346 V HN 0.546 nan 8.190 nan 0.000 0.447 347 D N -0.413 119.942 120.400 -0.075 0.000 2.117 347 D HA -0.151 4.490 4.640 0.001 0.000 0.198 347 D C 2.161 178.377 176.300 -0.141 0.000 0.982 347 D CA 1.333 55.279 54.000 -0.090 0.000 0.828 347 D CB -0.218 40.531 40.800 -0.086 0.000 0.967 347 D HN 0.419 nan 8.370 nan 0.000 0.464 348 K N -0.099 120.154 120.400 -0.246 0.000 2.026 348 K HA -0.142 4.178 4.320 0.001 0.000 0.208 348 K C 1.373 177.706 176.600 -0.445 0.000 1.048 348 K CA 1.176 57.221 56.287 -0.403 0.000 0.929 348 K CB 0.090 32.223 32.500 -0.612 0.000 0.713 348 K HN 0.221 nan 8.250 nan 0.000 0.439 349 H N 0.225 119.230 119.070 -0.109 0.000 2.586 349 H HA 0.143 4.700 4.556 0.001 0.000 0.273 349 H C -0.065 175.241 175.328 -0.037 0.000 0.997 349 H CA 0.184 56.183 56.048 -0.083 0.000 1.177 349 H CB 0.752 30.400 29.762 -0.190 0.000 1.471 349 H HN 0.260 nan 8.280 nan 0.000 0.538 350 Q N 0.333 120.149 119.800 0.027 0.000 2.463 350 Q HA -0.136 4.205 4.340 0.001 0.000 0.299 350 Q C -0.210 175.825 176.000 0.059 0.000 1.353 350 Q CA 0.214 56.034 55.803 0.030 0.000 0.828 350 Q CB -2.194 26.564 28.738 0.033 0.000 1.157 350 Q HN 0.181 nan 8.270 nan 0.000 0.436 351 V N 0.974 120.930 119.914 0.071 0.000 2.617 351 V HA -0.131 3.989 4.120 0.001 0.000 0.304 351 V C 1.606 177.752 176.094 0.087 0.000 1.040 351 V CA 1.332 63.697 62.300 0.109 0.000 1.149 351 V CB 0.501 32.430 31.823 0.177 0.000 0.914 351 V HN 0.472 nan 8.190 nan 0.000 0.487 352 N N 3.577 122.340 118.700 0.105 0.000 2.388 352 N HA 0.329 5.070 4.740 0.001 0.000 0.176 352 N C -0.193 175.369 175.510 0.086 0.000 1.062 352 N CA 0.199 53.294 53.050 0.074 0.000 0.895 352 N CB 0.450 38.977 38.487 0.066 0.000 1.018 352 N HN 0.600 nan 8.380 nan 0.000 0.456 353 I N 1.322 121.971 120.570 0.130 0.000 2.512 353 I HA 0.279 4.449 4.170 0.001 0.000 0.287 353 I C -1.628 174.502 176.117 0.023 0.000 1.069 353 I CA -0.853 60.519 61.300 0.119 0.000 1.056 353 I CB 2.290 40.439 38.000 0.248 0.000 1.229 353 I HN -0.105 nan 8.210 nan 0.000 0.429 354 L N 7.764 128.997 121.223 0.017 0.000 2.333 354 L HA 0.561 4.901 4.340 0.001 0.000 0.280 354 L C -1.769 175.147 176.870 0.075 0.000 1.004 354 L CA -0.480 54.344 54.840 -0.026 0.000 0.820 354 L CB 1.321 43.374 42.059 -0.009 0.000 1.247 354 L HN 0.465 nan 8.230 nan 0.000 0.416 355 Y N 4.441 124.604 120.300 -0.229 0.000 2.327 355 Y HA 0.682 5.232 4.550 0.001 0.000 0.325 355 Y C -0.487 175.335 175.900 -0.129 0.000 0.999 355 Y CA -0.315 57.745 58.100 -0.066 0.000 1.195 355 Y CB 1.433 39.861 38.460 -0.054 0.000 1.132 355 Y HN 0.802 nan 8.280 nan 0.000 0.455 356 T N 3.137 117.558 114.554 -0.221 0.000 2.590 356 T HA 0.918 5.269 4.350 0.001 0.000 0.282 356 T C -1.595 172.913 174.700 -0.320 0.000 0.989 356 T CA -0.080 61.812 62.100 -0.345 0.000 1.091 356 T CB 1.015 69.689 68.868 -0.324 0.000 1.460 356 T HN 0.755 nan 8.240 nan 0.000 0.499 357 A N 1.050 123.702 122.820 -0.280 0.000 2.365 357 A HA 0.731 5.052 4.320 0.001 0.000 0.318 357 A C -2.265 175.185 177.584 -0.224 0.000 1.091 357 A CA -1.589 50.309 52.037 -0.232 0.000 0.763 357 A CB 1.292 20.163 19.000 -0.214 0.000 1.248 357 A HN 0.558 nan 8.150 nan 0.000 0.442 358 P HA -0.164 nan 4.420 nan 0.000 0.217 358 P C 1.550 178.771 177.300 -0.131 0.000 1.151 358 P CA 2.121 65.135 63.100 -0.144 0.000 0.849 358 P CB 0.168 31.827 31.700 -0.069 0.000 0.787 359 T N -0.732 113.745 114.554 -0.129 0.000 2.684 359 T HA -0.189 4.161 4.350 0.001 0.000 0.267 359 T C 1.862 176.500 174.700 -0.103 0.000 1.036 359 T CA 1.788 63.823 62.100 -0.108 0.000 1.148 359 T CB -0.973 67.819 68.868 -0.126 0.000 0.863 359 T HN 0.068 nan 8.240 nan 0.000 0.436 360 A N 1.078 123.826 122.820 -0.119 0.000 1.883 360 A HA -0.071 4.249 4.320 0.001 0.000 0.217 360 A C 2.294 179.811 177.584 -0.112 0.000 1.186 360 A CA 1.455 53.434 52.037 -0.098 0.000 0.624 360 A CB -0.858 18.076 19.000 -0.110 0.000 0.822 360 A HN 0.537 nan 8.150 nan 0.000 0.444 361 I N -0.906 119.561 120.570 -0.171 0.000 2.163 361 I HA -0.297 3.874 4.170 0.001 0.000 0.243 361 I C 2.775 178.770 176.117 -0.204 0.000 1.085 361 I CA 1.578 62.776 61.300 -0.170 0.000 1.347 361 I CB -0.370 37.466 38.000 -0.274 0.000 1.044 361 I HN 0.294 nan 8.210 nan 0.000 0.408 362 R N 0.612 121.006 120.500 -0.175 0.000 2.120 362 R HA -0.140 4.201 4.340 0.001 0.000 0.234 362 R C 2.386 178.565 176.300 -0.201 0.000 1.123 362 R CA 1.441 57.427 56.100 -0.190 0.000 0.975 362 R CB -0.417 29.817 30.300 -0.111 0.000 0.866 362 R HN 0.400 nan 8.270 nan 0.000 0.446 363 A N 1.043 123.780 122.820 -0.138 0.000 1.929 363 A HA -0.059 4.261 4.320 0.001 0.000 0.216 363 A C 2.145 179.659 177.584 -0.116 0.000 1.176 363 A CA 0.842 52.823 52.037 -0.094 0.000 0.628 363 A CB -0.331 18.647 19.000 -0.037 0.000 0.816 363 A HN 0.132 nan 8.150 nan 0.000 0.444 364 L N -1.308 119.835 121.223 -0.134 0.000 1.994 364 L HA -0.188 4.153 4.340 0.001 0.000 0.208 364 L C 2.800 179.440 176.870 -0.384 0.000 1.071 364 L CA 1.868 56.643 54.840 -0.108 0.000 0.745 364 L CB -0.544 41.554 42.059 0.065 0.000 0.892 364 L HN 0.521 nan 8.230 nan 0.000 0.431 365 M N 0.060 119.133 119.600 -0.878 0.000 2.106 365 M HA -0.267 4.213 4.480 0.001 0.000 0.259 365 M C 2.313 178.232 176.300 -0.634 0.000 1.068 365 M CA 2.176 56.625 55.300 -1.418 0.000 1.100 365 M CB -0.170 31.664 32.600 -1.278 0.000 1.351 365 M HN 0.290 nan 8.290 nan 0.000 0.404 366 A N -0.034 122.569 122.820 -0.360 0.000 2.024 366 A HA -0.159 4.161 4.320 0.001 0.000 0.220 366 A C 1.776 179.292 177.584 -0.113 0.000 1.164 366 A CA 1.746 53.669 52.037 -0.189 0.000 0.643 366 A CB -0.598 18.329 19.000 -0.123 0.000 0.806 366 A HN 0.646 nan 8.150 nan 0.000 0.451 367 E N -0.892 119.250 120.200 -0.097 0.000 2.442 367 E HA 0.241 4.591 4.350 0.001 0.000 0.195 367 E C 1.490 178.115 176.600 0.043 0.000 1.030 367 E CA 0.623 57.016 56.400 -0.011 0.000 0.869 367 E CB -0.387 29.324 29.700 0.018 0.000 0.857 367 E HN 0.652 nan 8.360 nan 0.000 0.505 368 G N 2.577 111.409 108.800 0.053 0.000 2.556 368 G HA2 -0.341 3.620 3.960 0.001 0.000 0.283 368 G HA3 -0.341 3.620 3.960 0.001 0.000 0.283 368 G C 0.439 175.536 174.900 0.328 0.000 1.177 368 G CA 0.349 45.579 45.100 0.217 0.000 0.978 368 G HN 0.230 nan 8.290 nan 0.000 0.554 369 D N 1.008 121.539 120.400 0.218 0.000 2.371 369 D HA 0.027 4.668 4.640 0.001 0.000 0.221 369 D C 2.297 178.666 176.300 0.116 0.000 0.986 369 D CA 0.893 54.988 54.000 0.158 0.000 0.899 369 D CB -0.069 40.786 40.800 0.091 0.000 0.902 369 D HN 0.546 nan 8.370 nan 0.000 0.530 370 K N 0.754 121.218 120.400 0.107 0.000 2.211 370 K HA -0.088 4.232 4.320 0.001 0.000 0.204 370 K C 1.977 178.633 176.600 0.094 0.000 1.047 370 K CA 0.919 57.251 56.287 0.075 0.000 0.935 370 K CB 0.031 32.564 32.500 0.055 0.000 0.728 370 K HN 0.036 nan 8.250 nan 0.000 0.452 371 A N 1.572 124.490 122.820 0.163 0.000 2.015 371 A HA -0.099 4.221 4.320 0.001 0.000 0.219 371 A C 1.965 179.629 177.584 0.134 0.000 1.163 371 A CA 1.247 53.402 52.037 0.196 0.000 0.646 371 A CB -0.465 18.773 19.000 0.396 0.000 0.806 371 A HN 0.482 nan 8.150 nan 0.000 0.448 372 I N -4.311 116.313 120.570 0.091 0.000 4.154 372 I HA 0.326 4.496 4.170 0.001 0.000 0.334 372 I C 0.423 176.539 176.117 -0.002 0.000 1.371 372 I CA -0.287 61.024 61.300 0.018 0.000 1.110 372 I CB 0.126 38.099 38.000 -0.045 0.000 1.085 372 I HN 0.073 nan 8.210 nan 0.000 0.398 373 E N 2.601 122.809 120.200 0.013 0.000 2.417 373 E HA 0.249 4.599 4.350 0.001 0.000 0.261 373 E C 1.254 177.846 176.600 -0.014 0.000 1.000 373 E CA 0.963 57.363 56.400 -0.000 0.000 0.919 373 E CB 0.297 30.003 29.700 0.009 0.000 0.955 373 E HN 0.574 nan 8.360 nan 0.000 0.455 374 G N 3.296 112.082 108.800 -0.023 0.000 2.153 374 G HA2 -0.292 3.668 3.960 0.001 0.000 0.252 374 G HA3 -0.292 3.668 3.960 0.001 0.000 0.252 374 G C 0.250 175.128 174.900 -0.037 0.000 0.994 374 G CA 0.698 45.779 45.100 -0.030 0.000 0.698 374 G HN 0.727 nan 8.290 nan 0.000 0.521 375 T N -3.770 110.761 114.554 -0.038 0.000 2.942 375 T HA 0.715 5.065 4.350 0.001 0.000 0.289 375 T C 0.342 175.010 174.700 -0.053 0.000 1.044 375 T CA 0.336 62.409 62.100 -0.045 0.000 1.023 375 T CB 2.575 71.419 68.868 -0.039 0.000 1.123 375 T HN 0.040 nan 8.240 nan 0.000 0.512 376 D N -0.535 119.831 120.400 -0.058 0.000 2.597 376 D HA 0.186 4.826 4.640 0.001 0.000 0.261 376 D C 1.132 177.387 176.300 -0.075 0.000 1.023 376 D CA -0.196 53.766 54.000 -0.063 0.000 0.927 376 D CB 0.221 40.987 40.800 -0.057 0.000 1.168 376 D HN 0.692 nan 8.370 nan 0.000 0.491 377 R N -0.785 119.674 120.500 -0.068 0.000 4.016 377 R HA -0.172 4.169 4.340 0.001 0.000 0.385 377 R C 1.147 177.397 176.300 -0.083 0.000 1.158 377 R CA 0.802 56.857 56.100 -0.075 0.000 1.117 377 R CB -2.265 27.974 30.300 -0.101 0.000 1.635 377 R HN 0.062 nan 8.270 nan 0.000 0.560 378 S N -0.193 115.462 115.700 -0.075 0.000 2.481 378 S HA -0.093 4.377 4.470 0.001 0.000 0.231 378 S C 1.735 176.296 174.600 -0.065 0.000 0.996 378 S CA 1.080 59.233 58.200 -0.078 0.000 0.942 378 S CB 0.051 63.210 63.200 -0.068 0.000 0.768 378 S HN 0.645 nan 8.310 nan 0.000 0.520 379 S N 1.092 116.764 115.700 -0.048 0.000 2.474 379 S HA 0.067 4.538 4.470 0.001 0.000 0.235 379 S C 0.590 175.172 174.600 -0.030 0.000 0.997 379 S CA 0.259 58.441 58.200 -0.030 0.000 0.949 379 S CB -0.582 62.612 63.200 -0.010 0.000 0.766 379 S HN 0.372 nan 8.310 nan 0.000 0.517 380 L N 1.573 122.766 121.223 -0.050 0.000 2.367 380 L HA 0.351 4.691 4.340 0.001 0.000 0.275 380 L C 1.702 178.528 176.870 -0.073 0.000 1.129 380 L CA -0.271 54.535 54.840 -0.055 0.000 0.839 380 L CB 0.671 42.675 42.059 -0.092 0.000 1.133 380 L HN 0.162 nan 8.230 nan 0.000 0.453 381 R N 2.757 123.229 120.500 -0.046 0.000 2.310 381 R HA 0.395 4.735 4.340 0.001 0.000 0.199 381 R C -0.332 175.950 176.300 -0.031 0.000 0.891 381 R CA 0.145 56.218 56.100 -0.046 0.000 1.060 381 R CB 0.984 31.265 30.300 -0.032 0.000 1.188 381 R HN 0.414 nan 8.270 nan 0.000 0.607 382 I N 1.720 122.289 120.570 -0.001 0.000 2.619 382 I HA 0.358 4.528 4.170 0.001 0.000 0.292 382 I C -0.736 175.395 176.117 0.023 0.000 1.100 382 I CA -0.640 60.684 61.300 0.041 0.000 1.043 382 I CB 2.260 40.350 38.000 0.150 0.000 1.239 382 I HN -0.015 nan 8.210 nan 0.000 0.420 383 L N 3.808 125.022 121.223 -0.015 0.000 2.319 383 L HA 0.921 5.261 4.340 0.001 0.000 0.267 383 L C 0.245 177.221 176.870 0.176 0.000 1.011 383 L CA -0.587 54.239 54.840 -0.024 0.000 0.818 383 L CB 2.471 44.276 42.059 -0.424 0.000 1.316 383 L HN 0.729 nan 8.230 nan 0.000 0.432 384 G N -0.265 108.764 108.800 0.382 0.000 2.660 384 G HA2 0.574 4.535 3.960 0.001 0.000 0.294 384 G HA3 0.574 4.535 3.960 0.001 0.000 0.294 384 G C -1.847 173.360 174.900 0.511 0.000 1.369 384 G CA -0.352 45.056 45.100 0.512 0.000 0.912 384 G HN 0.405 nan 8.290 nan 0.000 0.479 385 S N -0.803 115.124 115.700 0.378 0.000 2.547 385 S HA 0.749 5.219 4.470 0.001 0.000 0.281 385 S C -1.365 173.342 174.600 0.178 0.000 1.118 385 S CA -0.619 57.680 58.200 0.165 0.000 0.947 385 S CB 1.764 65.033 63.200 0.115 0.000 1.053 385 S HN 1.391 nan 8.310 nan 0.000 0.482 386 V N 4.083 124.010 119.914 0.022 0.000 3.012 386 V HA 0.809 4.929 4.120 0.001 0.000 0.307 386 V C 0.674 176.737 176.094 -0.052 0.000 1.166 386 V CA 0.773 63.108 62.300 0.059 0.000 0.974 386 V CB 1.427 33.349 31.823 0.166 0.000 1.040 386 V HN 1.579 nan 8.190 nan 0.000 0.428 387 G N 4.336 113.104 108.800 -0.053 0.000 2.352 387 G HA2 -0.080 3.880 3.960 0.001 0.000 0.204 387 G HA3 -0.080 3.880 3.960 0.001 0.000 0.204 387 G C -0.127 174.717 174.900 -0.095 0.000 1.004 387 G CA 0.384 45.398 45.100 -0.144 0.000 0.648 387 G HN 1.381 nan 8.290 nan 0.000 0.491 388 E N -0.045 120.139 120.200 -0.026 0.000 2.407 388 E HA 0.565 4.915 4.350 0.001 0.000 0.279 388 E C -3.319 173.321 176.600 0.066 0.000 1.012 388 E CA -2.260 54.146 56.400 0.009 0.000 0.800 388 E CB 1.535 31.214 29.700 -0.035 0.000 1.276 388 E HN 0.059 nan 8.360 nan 0.000 0.452 389 P HA 0.096 nan 4.420 nan 0.000 0.267 389 P C -0.778 176.582 177.300 0.100 0.000 1.200 389 P CA 0.005 63.173 63.100 0.113 0.000 0.772 389 P CB 0.454 32.218 31.700 0.107 0.000 0.855 390 I N 1.985 122.636 120.570 0.135 0.000 2.382 390 I HA 0.257 4.427 4.170 0.001 0.000 0.286 390 I C 0.067 176.290 176.117 0.175 0.000 1.002 390 I CA -0.978 60.412 61.300 0.150 0.000 1.135 390 I CB 0.569 38.690 38.000 0.201 0.000 1.288 390 I HN 0.258 nan 8.210 nan 0.000 0.448 391 N N 8.221 127.005 118.700 0.140 0.000 2.292 391 N HA -0.005 4.735 4.740 0.001 0.000 0.258 391 N C -1.768 173.858 175.510 0.194 0.000 1.261 391 N CA -0.572 52.561 53.050 0.139 0.000 0.845 391 N CB 0.912 39.457 38.487 0.097 0.000 1.064 391 N HN 0.379 nan 8.380 nan 0.000 0.471 392 P HA -0.211 nan 4.420 nan 0.000 0.216 392 P C 0.262 177.704 177.300 0.237 0.000 1.154 392 P CA 1.517 64.713 63.100 0.161 0.000 0.865 392 P CB 0.158 31.909 31.700 0.085 0.000 0.789 393 E N -0.928 119.388 120.200 0.193 0.000 2.150 393 E HA -0.095 4.255 4.350 0.001 0.000 0.193 393 E C 2.092 178.859 176.600 0.279 0.000 0.985 393 E CA 0.983 57.510 56.400 0.212 0.000 0.814 393 E CB -0.461 29.323 29.700 0.140 0.000 0.752 393 E HN 0.164 nan 8.360 nan 0.000 0.466 394 A N 0.723 123.686 122.820 0.239 0.000 1.898 394 A HA -0.188 4.133 4.320 0.001 0.000 0.216 394 A C 1.861 179.685 177.584 0.401 0.000 1.181 394 A CA 1.134 53.318 52.037 0.245 0.000 0.620 394 A CB -0.979 18.098 19.000 0.129 0.000 0.819 394 A HN 0.512 nan 8.150 nan 0.000 0.442 395 W N 0.926 122.348 121.300 0.205 0.000 2.355 395 W HA -0.171 4.489 4.660 0.001 0.000 0.309 395 W C 2.086 178.771 176.519 0.277 0.000 1.206 395 W CA 1.759 59.247 57.345 0.239 0.000 1.284 395 W CB 0.137 29.677 29.460 0.134 0.000 1.145 395 W HN 0.314 nan 8.180 nan 0.000 0.502 396 E N -0.677 119.952 120.200 0.714 0.000 2.110 396 E HA -0.266 4.085 4.350 0.001 0.000 0.193 396 E C 1.662 178.534 176.600 0.454 0.000 0.988 396 E CA 1.657 58.404 56.400 0.578 0.000 0.804 396 E CB -1.227 28.719 29.700 0.410 0.000 0.745 396 E HN 0.586 nan 8.360 nan 0.000 0.458 397 W N 0.557 122.011 121.300 0.257 0.000 2.381 397 W HA -0.259 4.402 4.660 0.001 0.000 0.301 397 W C 2.246 178.872 176.519 0.179 0.000 1.205 397 W CA 1.402 58.858 57.345 0.185 0.000 1.285 397 W CB -0.439 29.106 29.460 0.142 0.000 1.133 397 W HN 0.073 nan 8.180 nan 0.000 0.521 398 Y N -0.319 120.168 120.300 0.312 0.000 2.070 398 Y HA -0.297 4.253 4.550 0.001 0.000 0.280 398 Y C 2.204 178.013 175.900 -0.152 0.000 1.148 398 Y CA 2.206 60.349 58.100 0.072 0.000 1.125 398 Y CB -1.636 36.841 38.460 0.027 0.000 0.975 398 Y HN 0.169 nan 8.280 nan 0.000 0.492 399 W N 1.563 122.594 121.300 -0.448 0.000 2.342 399 W HA -0.226 4.434 4.660 0.001 0.000 0.297 399 W C 2.547 178.836 176.519 -0.384 0.000 1.213 399 W CA 2.915 59.901 57.345 -0.599 0.000 1.251 399 W CB -0.314 28.701 29.460 -0.742 0.000 1.136 399 W HN 0.098 nan 8.180 nan 0.000 0.526 400 K N 0.013 120.326 120.400 -0.144 0.000 2.020 400 K HA -0.129 4.191 4.320 0.001 0.000 0.206 400 K C 2.215 178.550 176.600 -0.441 0.000 1.038 400 K CA 1.181 57.294 56.287 -0.290 0.000 0.947 400 K CB -0.280 32.176 32.500 -0.073 0.000 0.744 400 K HN -0.157 nan 8.250 nan 0.000 0.442 401 K N 0.597 120.637 120.400 -0.600 0.000 2.062 401 K HA -0.040 4.281 4.320 0.001 0.000 0.205 401 K C 2.107 178.395 176.600 -0.521 0.000 1.051 401 K CA 0.931 56.789 56.287 -0.715 0.000 0.941 401 K CB -0.029 31.599 32.500 -1.454 0.000 0.719 401 K HN 0.266 nan 8.250 nan 0.000 0.440 402 I N -0.358 119.925 120.570 -0.479 0.000 2.731 402 I HA 0.001 4.172 4.170 0.001 0.000 0.260 402 I C 2.148 178.044 176.117 -0.369 0.000 1.138 402 I CA 1.042 62.149 61.300 -0.321 0.000 1.461 402 I CB -1.402 36.499 38.000 -0.165 0.000 1.128 402 I HN 0.085 nan 8.210 nan 0.000 0.438 403 G N 0.106 108.606 108.800 -0.501 0.000 2.838 403 G HA2 -0.063 3.898 3.960 0.001 0.000 0.210 403 G HA3 -0.063 3.898 3.960 0.001 0.000 0.210 403 G C 0.922 175.507 174.900 -0.525 0.000 1.153 403 G CA -0.052 44.731 45.100 -0.528 0.000 0.778 403 G HN 0.353 nan 8.290 nan 0.000 0.539 404 K N -0.179 119.919 120.400 -0.504 0.000 3.160 404 K HA -0.226 4.094 4.320 0.001 0.000 0.280 404 K C 0.550 176.810 176.600 -0.566 0.000 1.154 404 K CA 0.810 56.835 56.287 -0.435 0.000 0.822 404 K CB -1.396 30.924 32.500 -0.301 0.000 1.239 404 K HN 0.607 nan 8.250 nan 0.000 0.489 405 E N -2.389 117.222 120.200 -0.982 0.000 3.496 405 E HA -0.320 4.030 4.350 0.001 0.000 0.300 405 E C 0.318 176.365 176.600 -0.923 0.000 0.877 405 E CA 1.657 57.134 56.400 -1.539 0.000 1.050 405 E CB -0.793 28.353 29.700 -0.924 0.000 1.532 405 E HN 0.553 nan 8.360 nan 0.000 0.447 406 K N -0.496 119.526 120.400 -0.631 0.000 2.360 406 K HA 0.205 4.526 4.320 0.001 0.000 0.196 406 K C 0.075 176.543 176.600 -0.220 0.000 1.049 406 K CA 0.353 56.455 56.287 -0.309 0.000 1.049 406 K CB 0.928 33.292 32.500 -0.227 0.000 0.881 406 K HN 0.044 nan 8.250 nan 0.000 0.542 407 C N 2.604 121.707 119.300 -0.329 0.000 2.319 407 C HA 0.404 4.864 4.460 0.001 0.000 0.323 407 C C -2.460 172.505 174.990 -0.041 0.000 1.277 407 C CA -2.093 56.816 59.018 -0.182 0.000 1.517 407 C CB 0.968 28.553 27.740 -0.258 0.000 2.206 407 C HN 0.159 nan 8.230 nan 0.000 0.486 408 P HA 0.124 nan 4.420 nan 0.000 0.266 408 P C -0.737 176.589 177.300 0.042 0.000 1.195 408 P CA 0.121 63.299 63.100 0.131 0.000 0.768 408 P CB 0.413 32.179 31.700 0.111 0.000 0.838 409 V N 4.234 124.179 119.914 0.051 0.000 2.328 409 V HA 0.168 4.288 4.120 0.001 0.000 0.278 409 V C 0.289 176.449 176.094 0.110 0.000 1.021 409 V CA -0.642 61.639 62.300 -0.032 0.000 0.838 409 V CB 1.384 32.947 31.823 -0.434 0.000 0.999 409 V HN 0.361 nan 8.190 nan 0.000 0.447 410 V N 1.435 121.384 119.914 0.059 0.000 2.339 410 V HA 0.476 4.596 4.120 0.001 0.000 0.261 410 V C -0.097 175.995 176.094 -0.005 0.000 1.058 410 V CA -0.443 61.832 62.300 -0.042 0.000 0.897 410 V CB 1.151 32.819 31.823 -0.258 0.000 1.052 410 V HN 0.788 nan 8.190 nan 0.000 0.480 411 D N 5.210 125.642 120.400 0.053 0.000 2.380 411 D HA 0.310 4.950 4.640 0.001 0.000 0.230 411 D C 0.408 176.710 176.300 0.002 0.000 1.154 411 D CA -0.005 54.057 54.000 0.103 0.000 0.859 411 D CB 1.311 42.226 40.800 0.191 0.000 1.045 411 D HN 0.865 nan 8.370 nan 0.000 0.495 412 T N 1.715 116.257 114.554 -0.021 0.000 2.753 412 T HA 0.315 4.666 4.350 0.001 0.000 0.297 412 T C -0.339 174.498 174.700 0.229 0.000 0.981 412 T CA -1.004 61.032 62.100 -0.108 0.000 0.956 412 T CB 0.256 68.700 68.868 -0.706 0.000 0.936 412 T HN 0.387 nan 8.240 nan 0.000 0.463 413 W N 8.292 129.666 121.300 0.123 0.000 2.335 413 W HA 0.600 5.260 4.660 0.001 0.000 0.306 413 W C -0.856 175.905 176.519 0.403 0.000 1.216 413 W CA -0.175 57.287 57.345 0.195 0.000 1.237 413 W CB 0.474 29.984 29.460 0.083 0.000 1.243 413 W HN 0.860 nan 8.180 nan 0.000 0.493 414 W N 4.827 125.551 121.300 -0.959 0.000 2.733 414 W HA 0.546 5.207 4.660 0.001 0.000 0.441 414 W C -1.793 174.290 176.519 -0.727 0.000 1.036 414 W CA -0.946 55.834 57.345 -0.943 0.000 1.208 414 W CB 0.041 29.391 29.460 -0.183 0.000 1.454 414 W HN 0.513 nan 8.180 nan 0.000 0.610 415 Q N -1.121 118.390 119.800 -0.483 0.000 2.738 415 Q HA 0.359 4.700 4.340 0.001 0.000 0.301 415 Q C 0.106 176.003 176.000 -0.171 0.000 0.901 415 Q CA -0.590 54.934 55.803 -0.466 0.000 0.756 415 Q CB 2.107 30.709 28.738 -0.227 0.000 1.463 415 Q HN 0.288 nan 8.270 nan 0.000 0.432 416 T N 0.362 114.861 114.554 -0.091 0.000 2.720 416 T HA -0.173 4.177 4.350 0.001 0.000 0.268 416 T C 0.969 175.887 174.700 0.364 0.000 1.037 416 T CA 2.294 64.483 62.100 0.147 0.000 1.144 416 T CB -0.166 68.792 68.868 0.150 0.000 0.864 416 T HN 0.555 nan 8.240 nan 0.000 0.444 417 E N 0.724 121.063 120.200 0.231 0.000 2.418 417 E HA -0.027 4.323 4.350 0.001 0.000 0.197 417 E C 2.289 179.046 176.600 0.260 0.000 1.026 417 E CA 1.056 57.549 56.400 0.156 0.000 0.862 417 E CB -0.165 29.522 29.700 -0.023 0.000 0.799 417 E HN 0.682 nan 8.360 nan 0.000 0.518 418 T N -4.412 110.393 114.554 0.419 0.000 3.044 418 T HA 0.306 4.656 4.350 0.001 0.000 0.250 418 T C 1.768 176.904 174.700 0.728 0.000 1.081 418 T CA 0.442 62.919 62.100 0.628 0.000 1.040 418 T CB 0.459 69.530 68.868 0.339 0.000 0.962 418 T HN 0.213 nan 8.240 nan 0.000 0.506 419 G N 0.695 109.945 108.800 0.750 0.000 2.458 419 G HA2 0.004 3.965 3.960 0.001 0.000 0.237 419 G HA3 0.004 3.965 3.960 0.001 0.000 0.237 419 G C 0.540 175.663 174.900 0.372 0.000 1.113 419 G CA -0.060 45.373 45.100 0.555 0.000 0.655 419 G HN 1.438 nan 8.290 nan 0.000 0.513 420 G N -1.535 107.463 108.800 0.331 0.000 2.682 420 G HA2 0.610 4.570 3.960 0.001 0.000 0.303 420 G HA3 0.610 4.570 3.960 0.001 0.000 0.303 420 G C -0.333 174.464 174.900 -0.171 0.000 1.341 420 G CA -0.622 44.320 45.100 -0.265 0.000 0.784 420 G HN 0.621 nan 8.290 nan 0.000 0.497 421 F N 0.966 120.581 119.950 -0.559 0.000 2.629 421 F HA 0.106 4.633 4.527 0.001 0.000 0.377 421 F C 1.716 177.461 175.800 -0.092 0.000 1.101 421 F CA -0.158 57.536 58.000 -0.510 0.000 1.301 421 F CB 0.598 39.166 39.000 -0.719 0.000 1.062 421 F HN 0.060 nan 8.300 nan 0.000 0.583 422 M N 3.034 122.783 119.600 0.249 0.000 2.627 422 M HA 0.332 4.813 4.480 0.001 0.000 0.236 422 M C 0.017 176.515 176.300 0.330 0.000 1.483 422 M CA 0.729 56.185 55.300 0.259 0.000 1.139 422 M CB 0.553 33.257 32.600 0.173 0.000 1.399 422 M HN 0.359 nan 8.290 nan 0.000 0.549 423 I N 0.251 121.042 120.570 0.369 0.000 2.499 423 I HA 0.462 4.632 4.170 0.001 0.000 0.288 423 I C -0.530 175.659 176.117 0.121 0.000 1.048 423 I CA -0.303 61.130 61.300 0.221 0.000 1.062 423 I CB 2.345 40.439 38.000 0.156 0.000 1.238 423 I HN 0.009 nan 8.210 nan 0.000 0.426 424 T N 6.213 120.762 114.554 -0.008 0.000 3.003 424 T HA 0.392 4.743 4.350 0.001 0.000 0.354 424 T C -2.961 171.632 174.700 -0.178 0.000 1.651 424 T CA -0.938 61.084 62.100 -0.130 0.000 1.103 424 T CB 2.056 70.773 68.868 -0.251 0.000 1.450 424 T HN 0.152 nan 8.240 nan 0.000 0.484 425 P HA 0.554 nan 4.420 nan 0.000 0.274 425 P C -1.120 176.072 177.300 -0.180 0.000 1.246 425 P CA -0.540 62.431 63.100 -0.214 0.000 0.795 425 P CB 0.462 32.081 31.700 -0.134 0.000 1.006 426 L N 3.126 124.253 121.223 -0.161 0.000 2.341 426 L HA 0.411 4.752 4.340 0.001 0.000 0.278 426 L C -1.668 175.179 176.870 -0.037 0.000 1.005 426 L CA -1.808 52.989 54.840 -0.072 0.000 0.818 426 L CB 1.668 43.715 42.059 -0.020 0.000 1.259 426 L HN 0.285 nan 8.230 nan 0.000 0.418 427 P HA -0.053 nan 4.420 nan 0.000 0.218 427 P C 1.063 178.397 177.300 0.056 0.000 1.149 427 P CA 0.834 63.956 63.100 0.037 0.000 0.817 427 P CB 0.382 32.118 31.700 0.060 0.000 0.785 428 G N -1.706 107.132 108.800 0.063 0.000 3.233 428 G HA2 0.300 4.261 3.960 0.001 0.000 0.234 428 G HA3 0.300 4.261 3.960 0.001 0.000 0.234 428 G C 1.097 176.030 174.900 0.054 0.000 1.137 428 G CA 0.614 45.755 45.100 0.069 0.000 0.763 428 G HN 0.308 nan 8.290 nan 0.000 0.549 429 A N -0.062 122.770 122.820 0.020 0.000 2.026 429 A HA 0.606 4.927 4.320 0.001 0.000 0.201 429 A C 0.500 178.040 177.584 -0.073 0.000 1.318 429 A CA 0.289 52.321 52.037 -0.007 0.000 0.857 429 A CB 0.466 19.462 19.000 -0.006 0.000 0.939 429 A HN 0.203 nan 8.150 nan 0.000 0.476 430 I N 1.285 121.790 120.570 -0.109 0.000 2.418 430 I HA 0.242 4.413 4.170 0.001 0.000 0.287 430 I C -0.782 175.335 176.117 0.000 0.000 1.008 430 I CA -0.448 60.774 61.300 -0.129 0.000 1.104 430 I CB 2.015 39.820 38.000 -0.325 0.000 1.264 430 I HN 0.197 nan 8.210 nan 0.000 0.438 431 E N 5.962 126.214 120.200 0.085 0.000 2.392 431 E HA 0.283 4.633 4.350 0.001 0.000 0.264 431 E C -0.941 175.772 176.600 0.189 0.000 1.024 431 E CA -0.202 56.278 56.400 0.132 0.000 0.903 431 E CB 0.891 30.654 29.700 0.106 0.000 0.963 431 E HN 0.399 nan 8.360 nan 0.000 0.432 432 L N 3.137 124.461 121.223 0.168 0.000 2.307 432 L HA 0.392 4.733 4.340 0.001 0.000 0.282 432 L C -0.006 176.873 176.870 0.017 0.000 1.051 432 L CA -0.561 54.358 54.840 0.132 0.000 0.804 432 L CB 0.777 42.970 42.059 0.223 0.000 1.197 432 L HN 0.318 nan 8.230 nan 0.000 0.431 433 K N 2.269 122.607 120.400 -0.103 0.000 2.323 433 K HA 0.607 4.928 4.320 0.001 0.000 0.259 433 K C -0.523 175.685 176.600 -0.652 0.000 0.947 433 K CA -0.729 55.398 56.287 -0.266 0.000 0.819 433 K CB 2.159 34.608 32.500 -0.086 0.000 1.109 433 K HN 0.656 nan 8.250 nan 0.000 0.429 434 A N 1.771 124.028 122.820 -0.939 0.000 2.545 434 A HA 0.365 4.685 4.320 0.001 0.000 0.253 434 A C 1.273 178.481 177.584 -0.627 0.000 1.074 434 A CA 1.093 52.237 52.037 -1.487 0.000 0.760 434 A CB -0.955 17.480 19.000 -0.942 0.000 1.005 434 A HN 1.030 nan 8.150 nan 0.000 0.506 435 G N 1.278 109.738 108.800 -0.567 0.000 2.176 435 G HA2 -0.151 3.809 3.960 0.001 0.000 0.253 435 G HA3 -0.151 3.809 3.960 0.001 0.000 0.253 435 G C 0.465 175.214 174.900 -0.251 0.000 0.979 435 G CA 0.603 45.659 45.100 -0.074 0.000 0.641 435 G HN 1.881 nan 8.290 nan 0.000 0.530 436 S N -0.308 114.964 115.700 -0.714 0.000 2.475 436 S HA 0.763 5.233 4.470 0.001 0.000 0.298 436 S C 1.330 175.662 174.600 -0.447 0.000 1.119 436 S CA 0.565 58.150 58.200 -1.024 0.000 1.085 436 S CB 1.579 63.687 63.200 -1.821 0.000 1.028 436 S HN 1.529 nan 8.310 nan 0.000 0.489 437 A N 3.533 126.171 122.820 -0.303 0.000 2.123 437 A HA 0.290 4.610 4.320 0.001 0.000 0.214 437 A C 1.456 178.909 177.584 -0.217 0.000 1.152 437 A CA 1.503 53.462 52.037 -0.129 0.000 0.728 437 A CB -1.396 17.625 19.000 0.036 0.000 0.814 437 A HN 2.052 nan 8.150 nan 0.000 0.464 438 T N -2.459 111.871 114.554 -0.372 0.000 14.157 438 T HA -0.261 4.089 4.350 0.001 0.000 0.419 438 T C 0.209 174.679 174.700 -0.384 0.000 1.441 438 T CA 1.168 62.870 62.100 -0.663 0.000 2.332 438 T CB -1.122 67.225 68.868 -0.868 0.000 2.759 438 T HN 0.733 nan 8.240 nan 0.000 0.255 439 R N 2.617 122.891 120.500 -0.377 0.000 2.668 439 R HA 0.657 4.998 4.340 0.001 0.000 0.279 439 R C -2.516 173.756 176.300 -0.047 0.000 0.976 439 R CA -2.175 53.811 56.100 -0.192 0.000 0.978 439 R CB 1.444 31.537 30.300 -0.344 0.000 1.133 439 R HN 0.572 nan 8.270 nan 0.000 0.484 440 P HA -0.067 nan 4.420 nan 0.000 0.268 440 P C -0.578 176.866 177.300 0.240 0.000 1.205 440 P CA 0.061 63.234 63.100 0.122 0.000 0.771 440 P CB 0.432 32.234 31.700 0.171 0.000 0.858 441 F N 3.046 123.090 119.950 0.156 0.000 2.480 441 F HA 0.208 4.735 4.527 0.001 0.000 0.319 441 F C 0.633 176.640 175.800 0.344 0.000 1.230 441 F CA -0.181 57.888 58.000 0.114 0.000 1.285 441 F CB -0.027 39.039 39.000 0.110 0.000 1.208 441 F HN 0.197 nan 8.300 nan 0.000 0.579 442 F N 2.167 121.835 119.950 -0.470 0.000 2.623 442 F HA 0.217 4.744 4.527 0.001 0.000 0.383 442 F C 1.493 177.485 175.800 0.321 0.000 1.077 442 F CA 0.516 58.349 58.000 -0.277 0.000 1.268 442 F CB -0.332 38.294 39.000 -0.623 0.000 1.053 442 F HN 0.729 nan 8.300 nan 0.000 0.571 443 G N 1.750 110.726 108.800 0.294 0.000 2.205 443 G HA2 -0.275 3.686 3.960 0.001 0.000 0.261 443 G HA3 -0.275 3.686 3.960 0.001 0.000 0.261 443 G C -0.290 174.909 174.900 0.498 0.000 0.980 443 G CA -0.018 45.442 45.100 0.600 0.000 0.632 443 G HN 0.576 nan 8.290 nan 0.000 0.533 444 V N 1.204 121.379 119.914 0.435 0.000 2.383 444 V HA 0.524 4.645 4.120 0.001 0.000 0.275 444 V C 0.211 176.506 176.094 0.336 0.000 1.036 444 V CA -0.221 62.271 62.300 0.319 0.000 0.889 444 V CB 1.520 33.499 31.823 0.260 0.000 0.985 444 V HN 0.396 nan 8.190 nan 0.000 0.459 445 Q N 6.815 126.782 119.800 0.279 0.000 2.508 445 Q HA 0.364 4.705 4.340 0.001 0.000 0.247 445 Q C -2.611 173.522 176.000 0.222 0.000 1.047 445 Q CA -1.670 54.297 55.803 0.273 0.000 0.783 445 Q CB 2.195 31.083 28.738 0.250 0.000 1.172 445 Q HN 0.515 nan 8.270 nan 0.000 0.515 446 P HA 0.475 nan 4.420 nan 0.000 0.279 446 P C -1.140 176.244 177.300 0.140 0.000 1.252 446 P CA -0.313 62.817 63.100 0.050 0.000 0.811 446 P CB 1.550 33.074 31.700 -0.294 0.000 1.035 447 A N 1.852 124.751 122.820 0.132 0.000 2.594 447 A HA 0.740 5.061 4.320 0.001 0.000 0.291 447 A C -1.463 176.188 177.584 0.110 0.000 1.105 447 A CA -0.756 51.373 52.037 0.152 0.000 0.694 447 A CB 1.032 20.107 19.000 0.125 0.000 1.291 447 A HN 0.429 nan 8.150 nan 0.000 0.410 448 L N 1.216 122.496 121.223 0.096 0.000 2.341 448 L HA 0.739 5.079 4.340 0.001 0.000 0.278 448 L C -0.364 176.471 176.870 -0.058 0.000 1.005 448 L CA -1.086 53.774 54.840 0.033 0.000 0.818 448 L CB 1.759 43.864 42.059 0.076 0.000 1.259 448 L HN 0.707 nan 8.230 nan 0.000 0.418 449 V N -1.588 118.215 119.914 -0.185 0.000 2.914 449 V HA 0.626 4.746 4.120 0.001 0.000 0.314 449 V C -0.670 175.275 176.094 -0.248 0.000 1.084 449 V CA -0.874 61.252 62.300 -0.291 0.000 0.963 449 V CB 1.949 33.388 31.823 -0.640 0.000 1.025 449 V HN 0.778 nan 8.190 nan 0.000 0.432 450 D N 1.963 122.277 120.400 -0.144 0.000 2.414 450 D HA 0.170 4.811 4.640 0.001 0.000 0.251 450 D C 0.668 176.924 176.300 -0.074 0.000 1.252 450 D CA -0.445 53.517 54.000 -0.065 0.000 0.999 450 D CB 0.215 41.034 40.800 0.030 0.000 1.093 450 D HN 0.429 nan 8.370 nan 0.000 0.515 451 N N -0.559 118.151 118.700 0.017 0.000 2.453 451 N HA -0.102 4.638 4.740 0.001 0.000 0.183 451 N C 0.333 175.905 175.510 0.103 0.000 1.041 451 N CA 0.646 53.750 53.050 0.090 0.000 0.900 451 N CB -0.097 38.423 38.487 0.056 0.000 0.961 451 N HN 0.475 nan 8.380 nan 0.000 0.443 452 E N -0.728 119.466 120.200 -0.011 0.000 2.444 452 E HA 0.274 4.624 4.350 0.001 0.000 0.191 452 E C 1.013 177.461 176.600 -0.252 0.000 1.041 452 E CA -0.020 56.301 56.400 -0.131 0.000 0.883 452 E CB -0.125 29.450 29.700 -0.209 0.000 1.024 452 E HN 0.249 nan 8.360 nan 0.000 0.470 453 G N 1.054 109.789 108.800 -0.108 0.000 2.155 453 G HA2 -0.353 3.607 3.960 0.001 0.000 0.257 453 G HA3 -0.353 3.607 3.960 0.001 0.000 0.257 453 G C -0.340 174.432 174.900 -0.213 0.000 0.983 453 G CA 0.123 45.105 45.100 -0.196 0.000 0.676 453 G HN 0.531 nan 8.290 nan 0.000 0.528 454 H N 1.446 120.482 119.070 -0.058 0.000 2.955 454 H HA 0.351 4.908 4.556 0.001 0.000 0.290 454 H C -1.945 173.341 175.328 -0.070 0.000 1.047 454 H CA -1.441 54.582 56.048 -0.041 0.000 1.484 454 H CB 0.625 30.375 29.762 -0.020 0.000 1.501 454 H HN 0.179 nan 8.280 nan 0.000 0.521 455 P HA -0.106 nan 4.420 nan 0.000 0.266 455 P C -0.480 176.840 177.300 0.035 0.000 1.193 455 P CA 0.304 63.420 63.100 0.026 0.000 0.770 455 P CB 0.620 32.349 31.700 0.048 0.000 0.836 456 Q N 2.224 122.037 119.800 0.020 0.000 2.333 456 Q HA 0.326 4.667 4.340 0.001 0.000 0.268 456 Q C -0.242 175.771 176.000 0.022 0.000 1.007 456 Q CA -0.317 55.496 55.803 0.017 0.000 0.810 456 Q CB 1.813 30.556 28.738 0.007 0.000 1.264 456 Q HN 0.466 nan 8.270 nan 0.000 0.452 457 E N 0.304 120.513 120.200 0.015 0.000 2.250 457 E HA 0.661 5.012 4.350 0.001 0.000 0.269 457 E C 0.388 176.989 176.600 0.002 0.000 1.018 457 E CA -0.231 56.178 56.400 0.016 0.000 0.873 457 E CB 1.145 30.854 29.700 0.016 0.000 1.134 457 E HN 0.769 nan 8.360 nan 0.000 0.403 458 G N 1.119 109.920 108.800 0.000 0.000 2.601 458 G HA2 -0.214 3.747 3.960 0.001 0.000 0.252 458 G HA3 -0.214 3.747 3.960 0.001 0.000 0.252 458 G C -0.203 174.679 174.900 -0.031 0.000 1.294 458 G CA -0.515 44.577 45.100 -0.014 0.000 0.912 458 G HN 0.818 nan 8.290 nan 0.000 0.574 459 A N -0.190 122.607 122.820 -0.038 0.000 2.484 459 A HA 0.670 4.991 4.320 0.001 0.000 0.268 459 A C 0.742 178.298 177.584 -0.046 0.000 1.114 459 A CA 2.008 54.014 52.037 -0.051 0.000 0.780 459 A CB 0.108 19.075 19.000 -0.055 0.000 1.061 459 A HN 2.223 nan 8.150 nan 0.000 0.505 460 T N 1.089 115.615 114.554 -0.047 0.000 2.677 460 T HA 0.553 4.904 4.350 0.001 0.000 0.305 460 T C -1.526 173.159 174.700 -0.024 0.000 1.569 460 T CA -0.073 62.008 62.100 -0.032 0.000 0.984 460 T CB 1.062 69.919 68.868 -0.017 0.000 1.629 460 T HN 0.939 nan 8.240 nan 0.000 0.494 461 E N -0.069 120.125 120.200 -0.010 0.000 2.416 461 E HA 0.793 5.144 4.350 0.001 0.000 0.273 461 E C -0.273 176.335 176.600 0.013 0.000 0.935 461 E CA -1.088 55.316 56.400 0.008 0.000 0.784 461 E CB 1.992 31.692 29.700 0.000 0.000 1.301 461 E HN 1.036 nan 8.360 nan 0.000 0.454 462 G N 0.619 109.435 108.800 0.026 0.000 2.321 462 G HA2 0.139 4.100 3.960 0.001 0.000 0.296 462 G HA3 0.139 4.100 3.960 0.001 0.000 0.296 462 G C -1.495 173.426 174.900 0.034 0.000 1.287 462 G CA -1.068 44.039 45.100 0.010 0.000 0.846 462 G HN 0.457 nan 8.290 nan 0.000 0.508 463 N N 0.384 119.091 118.700 0.011 0.000 2.497 463 N HA 0.222 4.962 4.740 0.001 0.000 0.268 463 N C -0.440 175.134 175.510 0.106 0.000 1.171 463 N CA -0.209 52.912 53.050 0.118 0.000 0.948 463 N CB 2.040 40.550 38.487 0.038 0.000 1.069 463 N HN 0.420 nan 8.380 nan 0.000 0.460 464 L N 4.264 125.613 121.223 0.211 0.000 2.315 464 L HA 0.203 4.543 4.340 0.001 0.000 0.283 464 L C -0.242 176.773 176.870 0.242 0.000 1.089 464 L CA -0.397 54.506 54.840 0.105 0.000 0.833 464 L CB 0.332 42.332 42.059 -0.099 0.000 1.170 464 L HN 0.313 nan 8.230 nan 0.000 0.442 465 V N 3.679 123.703 119.914 0.183 0.000 2.919 465 V HA 0.654 4.775 4.120 0.001 0.000 0.316 465 V C -0.209 176.058 176.094 0.289 0.000 1.077 465 V CA -0.912 61.557 62.300 0.282 0.000 0.977 465 V CB 2.080 34.030 31.823 0.213 0.000 1.039 465 V HN 0.505 nan 8.190 nan 0.000 0.441 466 I N 3.143 123.985 120.570 0.452 0.000 2.362 466 I HA 0.348 4.519 4.170 0.001 0.000 0.289 466 I C 1.302 177.785 176.117 0.611 0.000 0.994 466 I CA 0.036 61.619 61.300 0.472 0.000 1.158 466 I CB 1.327 39.602 38.000 0.459 0.000 1.315 466 I HN 0.986 nan 8.210 nan 0.000 0.451 467 T N -0.058 114.787 114.554 0.486 0.000 3.129 467 T HA 0.135 4.485 4.350 0.001 0.000 0.251 467 T C 0.331 175.295 174.700 0.440 0.000 1.117 467 T CA 0.193 62.572 62.100 0.465 0.000 1.034 467 T CB 0.131 69.174 68.868 0.292 0.000 0.968 467 T HN 0.560 nan 8.240 nan 0.000 0.526 468 D N -0.295 120.402 120.400 0.495 0.000 2.622 468 D HA 0.398 5.039 4.640 0.001 0.000 0.255 468 D C -1.021 175.536 176.300 0.428 0.000 1.246 468 D CA -0.490 53.588 54.000 0.129 0.000 0.795 468 D CB 2.114 42.989 40.800 0.125 0.000 1.369 468 D HN 0.034 nan 8.370 nan 0.000 0.425 469 S N 0.237 116.010 115.700 0.122 0.000 2.606 469 S HA 0.664 5.134 4.470 0.001 0.000 0.257 469 S C -0.872 174.152 174.600 0.706 0.000 1.327 469 S CA -0.194 58.272 58.200 0.443 0.000 0.984 469 S CB 0.241 63.568 63.200 0.211 0.000 0.941 469 S HN 0.372 nan 8.310 nan 0.000 0.576 470 W N 0.118 121.559 121.300 0.236 0.000 3.137 470 W HA 0.518 5.179 4.660 0.001 0.000 0.324 470 W C -2.956 172.923 176.519 -1.066 0.000 1.253 470 W CA -1.781 55.375 57.345 -0.314 0.000 1.183 470 W CB 0.033 29.314 29.460 -0.298 0.000 1.424 470 W HN 0.336 nan 8.180 nan 0.000 0.566 471 P HA -0.064 nan 4.420 nan 0.000 0.218 471 P C 1.580 178.274 177.300 -1.011 0.000 1.148 471 P CA 2.699 64.549 63.100 -2.082 0.000 0.822 471 P CB 0.064 30.812 31.700 -1.586 0.000 0.784 472 G N -1.251 107.018 108.800 -0.884 0.000 2.985 472 G HA2 -0.094 3.867 3.960 0.001 0.000 0.209 472 G HA3 -0.094 3.867 3.960 0.001 0.000 0.209 472 G C 0.538 175.344 174.900 -0.156 0.000 1.165 472 G CA -0.141 44.758 45.100 -0.335 0.000 0.776 472 G HN 0.281 nan 8.290 nan 0.000 0.541 473 Q N 0.927 120.275 119.800 -0.754 0.000 2.300 473 Q HA 0.412 4.753 4.340 0.001 0.000 0.280 473 Q C 0.587 176.440 176.000 -0.245 0.000 1.033 473 Q CA -0.503 54.904 55.803 -0.659 0.000 0.903 473 Q CB 0.587 28.525 28.738 -1.333 0.000 1.195 473 Q HN 0.247 nan 8.270 nan 0.000 0.386 474 A N 4.346 127.025 122.820 -0.235 0.000 2.565 474 A HA -0.041 4.279 4.320 0.001 0.000 0.237 474 A C 0.539 177.959 177.584 -0.272 0.000 1.053 474 A CA -0.043 51.665 52.037 -0.548 0.000 0.755 474 A CB 0.363 19.097 19.000 -0.443 0.000 0.980 474 A HN 0.870 nan 8.150 nan 0.000 0.506 475 R N 0.428 120.703 120.500 -0.376 0.000 2.189 475 R HA 0.153 4.493 4.340 0.001 0.000 0.203 475 R C 0.705 176.581 176.300 -0.706 0.000 1.012 475 R CA 1.218 57.125 56.100 -0.320 0.000 1.015 475 R CB -0.423 29.746 30.300 -0.218 0.000 0.938 475 R HN 0.830 nan 8.270 nan 0.000 0.472 476 T N -1.061 112.941 114.554 -0.920 0.000 2.658 476 T HA 0.452 4.803 4.350 0.001 0.000 0.305 476 T C -1.832 172.533 174.700 -0.558 0.000 1.551 476 T CA -0.628 60.758 62.100 -1.191 0.000 0.985 476 T CB 0.647 69.306 68.868 -0.348 0.000 1.731 476 T HN -0.078 nan 8.240 nan 0.000 0.486 477 L N 2.380 123.493 121.223 -0.183 0.000 2.307 477 L HA 0.567 4.907 4.340 0.001 0.000 0.284 477 L C -0.369 176.538 176.870 0.061 0.000 1.023 477 L CA -0.967 53.923 54.840 0.083 0.000 0.810 477 L CB 1.303 43.508 42.059 0.243 0.000 1.231 477 L HN 0.696 nan 8.230 nan 0.000 0.423 478 F N 3.351 123.264 119.950 -0.061 0.000 2.571 478 F HA 0.277 4.804 4.527 0.001 0.000 0.390 478 F C 1.230 177.036 175.800 0.010 0.000 1.043 478 F CA 0.710 58.681 58.000 -0.048 0.000 1.164 478 F CB 0.220 39.178 39.000 -0.070 0.000 1.049 478 F HN 0.741 nan 8.300 nan 0.000 0.552 479 G N 4.029 112.409 108.800 -0.701 0.000 2.153 479 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 479 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 479 G C -0.153 174.612 174.900 -0.224 0.000 0.994 479 G CA 0.325 45.064 45.100 -0.601 0.000 0.698 479 G HN 0.872 nan 8.290 nan 0.000 0.521 480 D N -1.824 118.520 120.400 -0.092 0.000 3.250 480 D HA 0.212 4.853 4.640 0.001 0.000 0.252 480 D C 0.736 177.097 176.300 0.101 0.000 1.342 480 D CA -0.451 53.557 54.000 0.014 0.000 0.807 480 D CB -0.289 40.527 40.800 0.028 0.000 1.449 480 D HN 0.218 nan 8.370 nan 0.000 0.610 481 H N 0.610 119.694 119.070 0.023 0.000 2.421 481 H HA -0.011 4.546 4.556 0.001 0.000 0.298 481 H C 1.666 177.110 175.328 0.192 0.000 1.087 481 H CA 2.142 58.247 56.048 0.094 0.000 1.330 481 H CB 0.598 30.373 29.762 0.022 0.000 1.388 481 H HN 0.345 nan 8.280 nan 0.000 0.526 482 E N -0.321 119.964 120.200 0.141 0.000 2.106 482 E HA -0.187 4.164 4.350 0.001 0.000 0.192 482 E C 2.234 178.874 176.600 0.066 0.000 0.984 482 E CA 0.846 57.301 56.400 0.092 0.000 0.806 482 E CB 0.061 29.807 29.700 0.076 0.000 0.750 482 E HN 0.220 nan 8.360 nan 0.000 0.458 483 R N -0.361 120.187 120.500 0.079 0.000 2.115 483 R HA -0.092 4.248 4.340 0.001 0.000 0.226 483 R C 1.916 178.277 176.300 0.101 0.000 1.100 483 R CA 1.253 57.392 56.100 0.065 0.000 0.980 483 R CB -0.733 29.609 30.300 0.069 0.000 0.875 483 R HN 0.283 nan 8.270 nan 0.000 0.445 484 F N 1.355 121.311 119.950 0.010 0.000 2.134 484 F HA -0.127 4.400 4.527 0.001 0.000 0.299 484 F C 1.621 177.551 175.800 0.217 0.000 1.097 484 F CA 1.989 60.068 58.000 0.131 0.000 1.264 484 F CB -0.145 38.837 39.000 -0.029 0.000 1.001 484 F HN 0.129 nan 8.300 nan 0.000 0.479 485 E N -0.400 119.842 120.200 0.069 0.000 2.047 485 E HA -0.242 4.109 4.350 0.001 0.000 0.191 485 E C 2.282 178.921 176.600 0.064 0.000 0.987 485 E CA 1.148 57.601 56.400 0.090 0.000 0.799 485 E CB -0.373 29.354 29.700 0.045 0.000 0.752 485 E HN 0.483 nan 8.360 nan 0.000 0.449 486 Q N 0.190 119.984 119.800 -0.010 0.000 2.061 486 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 486 Q C 2.222 178.117 176.000 -0.175 0.000 0.984 486 Q CA 1.810 57.574 55.803 -0.066 0.000 0.846 486 Q CB -0.112 28.591 28.738 -0.058 0.000 0.902 486 Q HN 0.290 nan 8.270 nan 0.000 0.421 487 T N -0.553 113.816 114.554 -0.307 0.000 2.812 487 T HA -0.118 4.233 4.350 0.001 0.000 0.264 487 T C 1.110 175.339 174.700 -0.784 0.000 1.042 487 T CA 1.318 63.048 62.100 -0.617 0.000 1.140 487 T CB -0.176 68.111 68.868 -0.969 0.000 0.870 487 T HN 0.376 nan 8.240 nan 0.000 0.445 488 Y N -1.558 118.471 120.300 -0.453 0.000 2.444 488 Y HA 0.401 4.952 4.550 0.001 0.000 0.252 488 Y C 0.896 176.171 175.900 -1.043 0.000 1.091 488 Y CA -0.406 57.161 58.100 -0.889 0.000 1.276 488 Y CB 0.582 38.298 38.460 -1.241 0.000 1.170 488 Y HN 0.135 nan 8.280 nan 0.000 0.517 489 F N -1.709 118.160 119.950 -0.135 0.000 2.825 489 F HA 0.193 4.720 4.527 0.001 0.000 0.322 489 F C 1.634 177.394 175.800 -0.067 0.000 1.127 489 F CA -0.011 57.935 58.000 -0.090 0.000 1.164 489 F CB 0.475 39.409 39.000 -0.111 0.000 1.101 489 F HN -0.052 nan 8.300 nan 0.000 0.529 490 S N -2.010 113.688 115.700 -0.004 0.000 2.527 490 S HA -0.015 4.455 4.470 0.001 0.000 0.227 490 S C 1.712 176.212 174.600 -0.165 0.000 1.059 490 S CA 0.781 58.952 58.200 -0.048 0.000 0.919 490 S CB -0.460 62.703 63.200 -0.062 0.000 0.805 490 S HN 0.118 nan 8.310 nan 0.000 0.500 491 T N 1.743 116.104 114.554 -0.321 0.000 2.708 491 T HA 0.150 4.501 4.350 0.001 0.000 0.266 491 T C -0.131 174.057 174.700 -0.853 0.000 1.037 491 T CA 1.045 62.713 62.100 -0.720 0.000 1.146 491 T CB -0.435 67.763 68.868 -1.115 0.000 0.865 491 T HN 0.506 nan 8.240 nan 0.000 0.435 492 F N 1.667 121.537 119.950 -0.134 0.000 2.513 492 F HA 0.350 4.877 4.527 0.001 0.000 0.358 492 F C 0.044 175.865 175.800 0.035 0.000 1.118 492 F CA -1.287 56.662 58.000 -0.085 0.000 1.037 492 F CB 0.881 39.800 39.000 -0.136 0.000 1.276 492 F HN -0.395 nan 8.300 nan 0.000 0.446 493 K N 2.420 122.929 120.400 0.182 0.000 2.511 493 K HA -0.021 4.299 4.320 0.001 0.000 0.280 493 K C 0.608 177.357 176.600 0.248 0.000 1.008 493 K CA 0.141 56.536 56.287 0.181 0.000 1.050 493 K CB -0.253 32.322 32.500 0.125 0.000 0.889 493 K HN 0.845 nan 8.250 nan 0.000 0.484 494 N N -0.190 118.697 118.700 0.311 0.000 2.901 494 N HA -0.167 4.574 4.740 0.001 0.000 0.248 494 N C -0.701 175.153 175.510 0.573 0.000 1.044 494 N CA 1.231 54.517 53.050 0.394 0.000 0.847 494 N CB -0.958 37.687 38.487 0.264 0.000 1.127 494 N HN 0.615 nan 8.380 nan 0.000 0.562 495 M N 0.238 120.165 119.600 0.545 0.000 2.326 495 M HA 0.186 4.667 4.480 0.001 0.000 0.292 495 M C -0.558 175.945 176.300 0.339 0.000 1.081 495 M CA -0.676 54.953 55.300 0.548 0.000 0.919 495 M CB 2.255 35.097 32.600 0.404 0.000 1.634 495 M HN 0.093 nan 8.290 nan 0.000 0.451 496 Y N 3.499 123.847 120.300 0.080 0.000 2.697 496 Y HA 0.187 4.738 4.550 0.001 0.000 0.349 496 Y C -1.093 174.866 175.900 0.098 0.000 1.120 496 Y CA -0.000 57.937 58.100 -0.272 0.000 1.468 496 Y CB 0.097 38.485 38.460 -0.120 0.000 1.182 496 Y HN 0.491 nan 8.280 nan 0.000 0.525 497 F N 6.309 125.856 119.950 -0.672 0.000 2.424 497 F HA 0.209 4.737 4.527 0.001 0.000 0.356 497 F C 1.270 176.689 175.800 -0.636 0.000 1.110 497 F CA -0.694 57.073 58.000 -0.388 0.000 1.161 497 F CB 0.878 39.807 39.000 -0.118 0.000 1.115 497 F HN 0.596 nan 8.300 nan 0.000 0.507 498 S N 3.569 118.936 115.700 -0.555 0.000 2.446 498 S HA 0.178 4.648 4.470 0.001 0.000 0.225 498 S C 1.681 175.932 174.600 -0.580 0.000 1.016 498 S CA 0.558 58.568 58.200 -0.317 0.000 0.943 498 S CB -0.556 62.829 63.200 0.308 0.000 0.786 498 S HN 1.695 nan 8.310 nan 0.000 0.508 499 G N 0.753 108.718 108.800 -1.392 0.000 2.176 499 G HA2 -0.174 3.787 3.960 0.001 0.000 0.253 499 G HA3 -0.174 3.787 3.960 0.001 0.000 0.253 499 G C -0.372 174.382 174.900 -0.244 0.000 0.979 499 G CA 0.229 44.787 45.100 -0.903 0.000 0.641 499 G HN 0.562 nan 8.290 nan 0.000 0.530 500 D N 0.406 120.747 120.400 -0.098 0.000 2.277 500 D HA 0.583 5.224 4.640 0.001 0.000 0.250 500 D C 0.766 177.124 176.300 0.096 0.000 1.032 500 D CA 0.720 54.749 54.000 0.049 0.000 0.947 500 D CB 1.427 42.282 40.800 0.093 0.000 1.159 500 D HN 0.388 nan 8.370 nan 0.000 0.460 501 G N -0.845 108.005 108.800 0.082 0.000 2.434 501 G HA2 0.665 4.625 3.960 0.001 0.000 0.330 501 G HA3 0.665 4.625 3.960 0.001 0.000 0.330 501 G C -1.129 173.789 174.900 0.029 0.000 1.155 501 G CA -0.403 44.746 45.100 0.081 0.000 0.917 501 G HN 0.534 nan 8.290 nan 0.000 0.493 502 A N 0.804 123.651 122.820 0.046 0.000 2.602 502 A HA 0.900 5.221 4.320 0.001 0.000 0.290 502 A C -0.501 177.145 177.584 0.104 0.000 1.114 502 A CA -0.839 51.242 52.037 0.074 0.000 0.683 502 A CB 1.751 20.791 19.000 0.066 0.000 1.281 502 A HN 1.161 nan 8.150 nan 0.000 0.416 503 R N 0.683 121.270 120.500 0.146 0.000 2.670 503 R HA 0.771 5.111 4.340 0.001 0.000 0.289 503 R C -0.893 175.476 176.300 0.115 0.000 0.965 503 R CA -0.635 55.518 56.100 0.087 0.000 0.899 503 R CB 1.704 32.006 30.300 0.003 0.000 1.173 503 R HN 0.762 nan 8.270 nan 0.000 0.456 504 R N 2.503 122.986 120.500 -0.028 0.000 2.387 504 R HA 0.175 4.515 4.340 0.001 0.000 0.314 504 R C -0.836 175.428 176.300 -0.060 0.000 0.958 504 R CA -0.601 55.391 56.100 -0.181 0.000 0.846 504 R CB 1.043 31.075 30.300 -0.446 0.000 1.147 504 R HN 0.895 nan 8.270 nan 0.000 0.447 505 D N 3.148 123.578 120.400 0.049 0.000 2.478 505 D HA 0.095 4.735 4.640 0.001 0.000 0.274 505 D C 1.091 177.379 176.300 -0.021 0.000 1.234 505 D CA 0.113 54.126 54.000 0.022 0.000 1.069 505 D CB 0.175 41.042 40.800 0.111 0.000 1.113 505 D HN 0.537 nan 8.370 nan 0.000 0.571 506 E N -0.596 119.580 120.200 -0.040 0.000 2.204 506 E HA -0.151 4.199 4.350 0.001 0.000 0.195 506 E C 1.229 177.804 176.600 -0.041 0.000 0.990 506 E CA 1.556 57.928 56.400 -0.047 0.000 0.821 506 E CB -0.852 28.813 29.700 -0.059 0.000 0.750 506 E HN 0.531 nan 8.360 nan 0.000 0.477 507 D N -1.121 119.246 120.400 -0.055 0.000 2.340 507 D HA 0.209 4.850 4.640 0.001 0.000 0.220 507 D C 1.314 177.674 176.300 0.100 0.000 1.039 507 D CA 0.888 54.863 54.000 -0.042 0.000 0.866 507 D CB 0.514 41.156 40.800 -0.263 0.000 0.913 507 D HN 0.587 nan 8.370 nan 0.000 0.523 508 G N 0.569 109.404 108.800 0.059 0.000 2.141 508 G HA2 -0.291 3.670 3.960 0.001 0.000 0.242 508 G HA3 -0.291 3.670 3.960 0.001 0.000 0.242 508 G C -0.114 174.784 174.900 -0.004 0.000 0.982 508 G CA -0.329 44.774 45.100 0.006 0.000 0.662 508 G HN 0.224 nan 8.290 nan 0.000 0.527 509 Y N 0.021 120.227 120.300 -0.157 0.000 2.319 509 Y HA 0.579 5.130 4.550 0.001 0.000 0.328 509 Y C 0.700 176.468 175.900 -0.220 0.000 1.133 509 Y CA -1.152 56.857 58.100 -0.152 0.000 1.265 509 Y CB 0.426 38.810 38.460 -0.127 0.000 1.218 509 Y HN 0.192 nan 8.280 nan 0.000 0.508 510 Y N 1.478 121.730 120.300 -0.079 0.000 2.323 510 Y HA 0.281 4.832 4.550 0.001 0.000 0.331 510 Y C -1.000 174.786 175.900 -0.190 0.000 1.092 510 Y CA -0.752 57.321 58.100 -0.044 0.000 1.150 510 Y CB 0.851 39.243 38.460 -0.112 0.000 1.200 510 Y HN 0.511 nan 8.280 nan 0.000 0.472 511 W N 4.930 126.280 121.300 0.084 0.000 2.362 511 W HA 0.526 5.187 4.660 0.001 0.000 0.316 511 W C -1.309 175.214 176.519 0.007 0.000 1.024 511 W CA -0.820 56.547 57.345 0.037 0.000 1.270 511 W CB 0.538 30.003 29.460 0.008 0.000 1.273 511 W HN 0.246 nan 8.180 nan 0.000 0.424 512 I N 3.303 123.947 120.570 0.125 0.000 2.379 512 I HA 0.064 4.235 4.170 0.001 0.000 0.290 512 I C 1.645 177.821 176.117 0.098 0.000 1.063 512 I CA 0.407 61.716 61.300 0.015 0.000 1.351 512 I CB 1.002 38.913 38.000 -0.149 0.000 1.410 512 I HN 0.559 nan 8.210 nan 0.000 0.505 513 T N 1.829 116.432 114.554 0.082 0.000 3.054 513 T HA 0.505 4.855 4.350 0.001 0.000 0.259 513 T C 0.919 175.664 174.700 0.075 0.000 1.092 513 T CA 0.255 62.406 62.100 0.085 0.000 1.121 513 T CB -0.117 68.792 68.868 0.068 0.000 0.912 513 T HN 0.933 nan 8.240 nan 0.000 0.489 514 G N 1.434 110.279 108.800 0.074 0.000 2.422 514 G HA2 0.019 3.980 3.960 0.001 0.000 0.607 514 G HA3 0.019 3.980 3.960 0.001 0.000 0.607 514 G C -1.370 173.574 174.900 0.073 0.000 1.270 514 G CA -1.237 43.913 45.100 0.084 0.000 0.992 514 G HN 0.414 nan 8.290 nan 0.000 0.499 515 R N 0.149 120.687 120.500 0.062 0.000 2.538 515 R HA 0.242 4.582 4.340 0.001 0.000 0.282 515 R C 1.678 178.012 176.300 0.057 0.000 1.009 515 R CA 0.578 56.706 56.100 0.046 0.000 1.063 515 R CB 0.511 30.827 30.300 0.026 0.000 0.945 515 R HN 1.388 nan 8.270 nan 0.000 0.414 516 V N -1.473 118.489 119.914 0.079 0.000 3.660 516 V HA 0.033 4.153 4.120 0.001 0.000 0.276 516 V C 0.706 176.864 176.094 0.108 0.000 1.317 516 V CA 0.178 62.546 62.300 0.113 0.000 1.097 516 V CB -0.257 31.680 31.823 0.189 0.000 0.863 516 V HN 0.612 nan 8.190 nan 0.000 0.438 517 D N 0.261 120.705 120.400 0.073 0.000 2.481 517 D HA 0.149 4.790 4.640 0.001 0.000 0.283 517 D C 0.080 176.396 176.300 0.025 0.000 1.192 517 D CA -0.330 53.699 54.000 0.050 0.000 1.100 517 D CB -0.121 40.689 40.800 0.016 0.000 1.166 517 D HN 0.091 nan 8.370 nan 0.000 0.584 518 D N -0.737 119.669 120.400 0.011 0.000 2.491 518 D HA 0.185 4.826 4.640 0.001 0.000 0.228 518 D C -0.413 175.894 176.300 0.012 0.000 1.183 518 D CA -0.152 53.856 54.000 0.013 0.000 0.827 518 D CB 0.383 41.190 40.800 0.012 0.000 0.989 518 D HN 0.032 nan 8.370 nan 0.000 0.494 519 V N 1.546 121.464 119.914 0.006 0.000 2.465 519 V HA 0.266 4.386 4.120 0.001 0.000 0.279 519 V C 0.564 176.662 176.094 0.006 0.000 1.045 519 V CA -0.611 61.692 62.300 0.004 0.000 0.938 519 V CB 1.965 33.784 31.823 -0.007 0.000 0.986 519 V HN 0.016 nan 8.190 nan 0.000 0.467 520 L N 3.876 125.103 121.223 0.006 0.000 2.360 520 L HA 0.514 4.855 4.340 0.001 0.000 0.271 520 L C 0.042 176.901 176.870 -0.019 0.000 1.057 520 L CA -0.406 54.436 54.840 0.003 0.000 0.803 520 L CB 1.320 43.386 42.059 0.013 0.000 1.207 520 L HN 0.675 nan 8.230 nan 0.000 0.445 521 N N 1.128 119.814 118.700 -0.023 0.000 2.524 521 N HA 0.462 5.202 4.740 0.001 0.000 0.261 521 N C -1.600 173.879 175.510 -0.052 0.000 0.998 521 N CA -0.378 52.639 53.050 -0.055 0.000 0.915 521 N CB 1.314 39.770 38.487 -0.052 0.000 1.187 521 N HN 0.245 nan 8.380 nan 0.000 0.507 522 V N 2.661 122.540 119.914 -0.058 0.000 2.407 522 V HA 0.341 4.462 4.120 0.001 0.000 0.291 522 V C 0.348 176.404 176.094 -0.062 0.000 1.018 522 V CA -0.751 61.522 62.300 -0.045 0.000 0.842 522 V CB 1.326 33.138 31.823 -0.018 0.000 0.996 522 V HN 0.847 nan 8.190 nan 0.000 0.426 523 S N 4.038 119.683 115.700 -0.092 0.000 3.550 523 S HA -0.203 4.267 4.470 0.001 0.000 0.372 523 S C 1.413 175.786 174.600 -0.379 0.000 0.966 523 S CA 1.201 59.313 58.200 -0.147 0.000 1.229 523 S CB -1.164 62.007 63.200 -0.050 0.000 0.917 523 S HN 2.245 nan 8.310 nan 0.000 0.496 524 G N 0.207 108.807 108.800 -0.332 0.000 2.258 524 G HA2 -0.310 3.651 3.960 0.001 0.000 0.274 524 G HA3 -0.310 3.651 3.960 0.001 0.000 0.274 524 G C -0.312 174.168 174.900 -0.700 0.000 1.021 524 G CA 0.872 45.704 45.100 -0.446 0.000 0.798 524 G HN 0.890 nan 8.290 nan 0.000 0.507 525 H N -1.118 117.747 119.070 -0.341 0.000 2.466 525 H HA 0.542 5.098 4.556 0.001 0.000 0.338 525 H C 0.489 175.609 175.328 -0.347 0.000 1.091 525 H CA -0.855 54.900 56.048 -0.489 0.000 1.207 525 H CB 1.115 30.615 29.762 -0.436 0.000 1.466 525 H HN 0.261 nan 8.280 nan 0.000 0.493 526 R N 4.586 124.921 120.500 -0.276 0.000 2.220 526 R HA 0.310 4.651 4.340 0.001 0.000 0.340 526 R C -1.383 174.872 176.300 -0.075 0.000 1.076 526 R CA -0.276 55.730 56.100 -0.158 0.000 0.920 526 R CB -0.065 30.135 30.300 -0.167 0.000 1.062 526 R HN 0.564 nan 8.270 nan 0.000 0.469 527 L N 3.103 124.312 121.223 -0.022 0.000 2.341 527 L HA 0.598 4.939 4.340 0.001 0.000 0.267 527 L C 0.531 177.422 176.870 0.034 0.000 1.009 527 L CA -1.180 53.677 54.840 0.028 0.000 0.819 527 L CB 2.238 44.316 42.059 0.032 0.000 1.323 527 L HN 0.749 nan 8.230 nan 0.000 0.425 528 G N -0.972 107.862 108.800 0.055 0.000 2.389 528 G HA2 0.415 4.376 3.960 0.001 0.000 0.317 528 G HA3 0.415 4.376 3.960 0.001 0.000 0.317 528 G C 0.762 175.692 174.900 0.049 0.000 1.137 528 G CA 0.186 45.314 45.100 0.047 0.000 0.870 528 G HN 0.719 nan 8.290 nan 0.000 0.496 529 T N -1.082 113.497 114.554 0.042 0.000 2.942 529 T HA 0.055 4.405 4.350 0.001 0.000 0.265 529 T C 2.513 177.243 174.700 0.050 0.000 1.062 529 T CA 1.577 63.705 62.100 0.048 0.000 1.139 529 T CB -0.176 68.720 68.868 0.046 0.000 0.883 529 T HN 0.634 nan 8.240 nan 0.000 0.468 530 A N 2.666 125.512 122.820 0.043 0.000 1.940 530 A HA -0.146 4.174 4.320 0.001 0.000 0.219 530 A C 2.177 179.793 177.584 0.054 0.000 1.176 530 A CA 1.846 53.909 52.037 0.044 0.000 0.631 530 A CB -0.713 18.307 19.000 0.034 0.000 0.814 530 A HN 0.810 nan 8.150 nan 0.000 0.446 531 E N 0.045 120.281 120.200 0.059 0.000 2.208 531 E HA -0.046 4.305 4.350 0.001 0.000 0.193 531 E C 1.664 178.309 176.600 0.075 0.000 0.988 531 E CA 1.124 57.564 56.400 0.066 0.000 0.828 531 E CB -0.374 29.368 29.700 0.071 0.000 0.763 531 E HN 0.705 nan 8.360 nan 0.000 0.478 532 I N 1.304 121.919 120.570 0.075 0.000 2.333 532 I HA -0.171 3.999 4.170 0.001 0.000 0.246 532 I C 2.225 178.395 176.117 0.089 0.000 1.106 532 I CA 1.022 62.370 61.300 0.080 0.000 1.411 532 I CB -0.283 37.756 38.000 0.066 0.000 1.082 532 I HN 0.052 nan 8.210 nan 0.000 0.420 533 E N 0.910 121.157 120.200 0.078 0.000 2.070 533 E HA -0.208 4.143 4.350 0.001 0.000 0.197 533 E C 2.348 179.003 176.600 0.092 0.000 1.004 533 E CA 1.813 58.260 56.400 0.078 0.000 0.805 533 E CB -0.099 29.639 29.700 0.064 0.000 0.744 533 E HN 0.347 nan 8.360 nan 0.000 0.451 534 S N 0.578 116.332 115.700 0.089 0.000 2.353 534 S HA -0.248 4.222 4.470 0.001 0.000 0.222 534 S C 2.142 176.833 174.600 0.152 0.000 1.035 534 S CA 1.124 59.384 58.200 0.100 0.000 1.025 534 S CB -0.413 62.835 63.200 0.079 0.000 0.902 534 S HN 0.439 nan 8.310 nan 0.000 0.440 535 A N 1.464 124.380 122.820 0.161 0.000 1.884 535 A HA -0.159 4.161 4.320 0.001 0.000 0.219 535 A C 2.187 180.020 177.584 0.416 0.000 1.197 535 A CA 1.721 53.907 52.037 0.249 0.000 0.637 535 A CB -1.002 18.094 19.000 0.160 0.000 0.827 535 A HN 0.458 nan 8.150 nan 0.000 0.450 536 L N -0.741 120.641 121.223 0.264 0.000 2.017 536 L HA -0.166 4.174 4.340 0.001 0.000 0.208 536 L C 2.471 179.423 176.870 0.137 0.000 1.073 536 L CA 1.220 56.181 54.840 0.201 0.000 0.745 536 L CB -0.492 41.629 42.059 0.102 0.000 0.894 536 L HN 0.259 nan 8.230 nan 0.000 0.432 537 V N -0.063 119.926 119.914 0.126 0.000 2.759 537 V HA -0.217 3.904 4.120 0.001 0.000 0.256 537 V C 2.536 178.680 176.094 0.084 0.000 1.080 537 V CA 1.452 63.801 62.300 0.082 0.000 1.101 537 V CB -0.709 31.155 31.823 0.068 0.000 0.698 537 V HN 0.473 nan 8.190 nan 0.000 0.477 538 A N -1.604 121.327 122.820 0.185 0.000 2.119 538 A HA -0.118 4.202 4.320 0.001 0.000 0.217 538 A C 1.374 178.976 177.584 0.030 0.000 1.153 538 A CA 0.363 52.539 52.037 0.232 0.000 0.692 538 A CB -0.609 18.649 19.000 0.431 0.000 0.799 538 A HN 0.622 nan 8.150 nan 0.000 0.458 539 H N 0.614 119.425 119.070 -0.432 0.000 2.886 539 H HA 0.101 4.657 4.556 0.001 0.000 0.329 539 H C -1.858 173.142 175.328 -0.547 0.000 1.044 539 H CA -1.319 54.045 56.048 -1.140 0.000 1.456 539 H CB 1.103 30.172 29.762 -1.156 0.000 1.464 539 H HN 0.032 nan 8.280 nan 0.000 0.573 540 P HA -0.092 nan 4.420 nan 0.000 0.223 540 P C 0.455 177.654 177.300 -0.168 0.000 1.144 540 P CA 1.501 64.375 63.100 -0.375 0.000 0.783 540 P CB 0.234 31.697 31.700 -0.395 0.000 0.771 541 K N -1.552 118.859 120.400 0.018 0.000 2.358 541 K HA 0.222 4.543 4.320 0.001 0.000 0.200 541 K C 0.438 177.068 176.600 0.050 0.000 1.030 541 K CA -0.114 56.216 56.287 0.072 0.000 1.097 541 K CB 0.466 33.037 32.500 0.119 0.000 0.862 541 K HN 0.181 nan 8.250 nan 0.000 0.534 542 I N 0.753 121.354 120.570 0.053 0.000 2.336 542 I HA 0.114 4.285 4.170 0.001 0.000 0.292 542 I C 0.914 177.034 176.117 0.005 0.000 0.991 542 I CA -0.309 61.004 61.300 0.023 0.000 1.227 542 I CB 1.804 39.810 38.000 0.011 0.000 1.366 542 I HN 0.033 nan 8.210 nan 0.000 0.466 543 A N 5.414 128.237 122.820 0.006 0.000 1.911 543 A HA 0.225 4.545 4.320 0.001 0.000 0.212 543 A C 0.554 178.143 177.584 0.008 0.000 1.189 543 A CA 0.823 52.849 52.037 -0.017 0.000 0.639 543 A CB 0.195 19.165 19.000 -0.050 0.000 0.839 543 A HN 0.747 nan 8.150 nan 0.000 0.449 544 E N -2.266 117.955 120.200 0.036 0.000 2.372 544 E HA 0.628 4.979 4.350 0.001 0.000 0.279 544 E C -1.353 175.289 176.600 0.070 0.000 0.946 544 E CA -0.433 55.995 56.400 0.046 0.000 0.769 544 E CB 2.219 31.945 29.700 0.042 0.000 1.230 544 E HN 0.441 nan 8.360 nan 0.000 0.442 545 A N 1.036 123.896 122.820 0.068 0.000 2.547 545 A HA 0.839 5.159 4.320 0.001 0.000 0.297 545 A C -1.665 175.969 177.584 0.084 0.000 1.056 545 A CA -0.373 51.715 52.037 0.085 0.000 0.688 545 A CB 1.773 20.817 19.000 0.073 0.000 1.282 545 A HN 0.568 nan 8.150 nan 0.000 0.400 546 A N 1.090 123.983 122.820 0.122 0.000 2.371 546 A HA 0.757 5.077 4.320 0.001 0.000 0.311 546 A C -1.118 176.591 177.584 0.207 0.000 1.068 546 A CA -0.512 51.595 52.037 0.117 0.000 0.744 546 A CB 1.475 20.498 19.000 0.039 0.000 1.239 546 A HN 1.420 nan 8.150 nan 0.000 0.435 547 V N 2.930 122.934 119.914 0.150 0.000 2.495 547 V HA 0.669 4.789 4.120 0.001 0.000 0.298 547 V C -0.028 176.152 176.094 0.144 0.000 1.031 547 V CA -0.319 62.072 62.300 0.151 0.000 0.871 547 V CB 1.448 33.326 31.823 0.092 0.000 0.988 547 V HN 1.231 nan 8.190 nan 0.000 0.432 548 V N 2.034 122.052 119.914 0.174 0.000 3.102 548 V HA 1.037 5.158 4.120 0.001 0.000 0.312 548 V C 0.168 176.319 176.094 0.095 0.000 1.135 548 V CA -0.558 61.810 62.300 0.113 0.000 1.022 548 V CB 1.989 33.870 31.823 0.098 0.000 1.056 548 V HN 0.906 nan 8.190 nan 0.000 0.436 549 G N 1.602 110.435 108.800 0.056 0.000 2.367 549 G HA2 0.698 4.658 3.960 0.001 0.000 0.314 549 G HA3 0.698 4.658 3.960 0.001 0.000 0.314 549 G C -0.554 174.366 174.900 0.033 0.000 1.130 549 G CA -0.614 44.517 45.100 0.050 0.000 0.864 549 G HN 1.379 nan 8.290 nan 0.000 0.486 550 I N -0.192 120.410 120.570 0.054 0.000 2.693 550 I HA 0.626 4.796 4.170 0.001 0.000 0.303 550 I C -2.695 173.465 176.117 0.071 0.000 1.025 550 I CA -3.195 58.129 61.300 0.040 0.000 1.086 550 I CB 2.482 40.505 38.000 0.038 0.000 1.268 550 I HN 0.162 nan 8.210 nan 0.000 0.440 551 P HA 0.130 nan 4.420 nan 0.000 0.266 551 P C -1.397 175.971 177.300 0.113 0.000 1.195 551 P CA 0.542 63.682 63.100 0.065 0.000 0.768 551 P CB 0.149 31.867 31.700 0.030 0.000 0.838 552 H N 0.866 119.941 119.070 0.009 0.000 2.966 552 H HA 0.530 5.087 4.556 0.001 0.000 0.347 552 H C 0.506 175.833 175.328 -0.003 0.000 1.048 552 H CA -0.476 55.577 56.048 0.008 0.000 1.295 552 H CB 1.453 31.222 29.762 0.012 0.000 1.744 552 H HN 0.291 nan 8.280 nan 0.000 0.513 553 A N 4.532 127.229 122.820 -0.204 0.000 1.897 553 A HA -0.029 4.291 4.320 0.001 0.000 0.215 553 A C 1.878 179.464 177.584 0.004 0.000 1.181 553 A CA 1.308 53.290 52.037 -0.091 0.000 0.620 553 A CB -0.456 18.462 19.000 -0.136 0.000 0.821 553 A HN 0.730 nan 8.150 nan 0.000 0.443 554 I N -0.641 119.984 120.570 0.092 0.000 2.162 554 I HA -0.200 3.971 4.170 0.001 0.000 0.238 554 I C 2.049 178.272 176.117 0.177 0.000 1.076 554 I CA 1.481 62.882 61.300 0.168 0.000 1.353 554 I CB -0.142 37.990 38.000 0.221 0.000 1.063 554 I HN 0.204 nan 8.210 nan 0.000 0.408 555 K N 0.375 120.962 120.400 0.313 0.000 2.444 555 K HA 0.193 4.514 4.320 0.001 0.000 0.193 555 K C 1.377 178.000 176.600 0.038 0.000 1.024 555 K CA 0.653 56.968 56.287 0.048 0.000 1.077 555 K CB 0.579 32.975 32.500 -0.174 0.000 0.833 555 K HN 0.510 nan 8.250 nan 0.000 0.517 556 G N 1.411 110.268 108.800 0.095 0.000 3.444 556 G HA2 -0.328 3.632 3.960 0.001 0.000 0.222 556 G HA3 -0.328 3.632 3.960 0.001 0.000 0.222 556 G C 0.119 175.064 174.900 0.075 0.000 1.358 556 G CA 0.070 45.203 45.100 0.056 0.000 0.880 556 G HN 0.364 nan 8.290 nan 0.000 0.555 557 Q N 0.295 120.128 119.800 0.055 0.000 2.389 557 Q HA 0.681 5.022 4.340 0.001 0.000 0.277 557 Q C -0.392 175.620 176.000 0.020 0.000 1.082 557 Q CA -0.156 55.681 55.803 0.057 0.000 0.810 557 Q CB 2.273 31.027 28.738 0.027 0.000 1.374 557 Q HN 1.006 nan 8.270 nan 0.000 0.422 558 A N 2.243 125.090 122.820 0.045 0.000 2.311 558 A HA 0.719 5.039 4.320 0.001 0.000 0.334 558 A C -0.689 176.913 177.584 0.031 0.000 1.139 558 A CA -0.650 51.373 52.037 -0.024 0.000 0.830 558 A CB 0.732 19.742 19.000 0.018 0.000 1.234 558 A HN 0.715 nan 8.150 nan 0.000 0.483 559 I N 1.347 121.922 120.570 0.008 0.000 2.312 559 I HA 0.191 4.361 4.170 0.001 0.000 0.291 559 I C -1.116 175.035 176.117 0.056 0.000 1.031 559 I CA -0.022 61.297 61.300 0.033 0.000 1.293 559 I CB 0.621 38.621 38.000 0.000 0.000 1.403 559 I HN 0.633 nan 8.210 nan 0.000 0.484 560 Y N 7.024 127.289 120.300 -0.058 0.000 2.345 560 Y HA 0.671 5.222 4.550 0.001 0.000 0.331 560 Y C -0.314 175.497 175.900 -0.148 0.000 0.959 560 Y CA -1.031 56.999 58.100 -0.117 0.000 1.204 560 Y CB 1.268 39.663 38.460 -0.108 0.000 1.135 560 Y HN 0.579 nan 8.280 nan 0.000 0.477 561 A N 6.220 128.919 122.820 -0.201 0.000 2.271 561 A HA 0.543 4.863 4.320 0.001 0.000 0.317 561 A C -1.814 175.629 177.584 -0.235 0.000 1.245 561 A CA -0.473 51.489 52.037 -0.125 0.000 0.857 561 A CB -0.044 18.863 19.000 -0.155 0.000 1.175 561 A HN 0.729 nan 8.150 nan 0.000 0.512 562 Y N 1.792 122.087 120.300 -0.009 0.000 2.365 562 Y HA 0.432 4.983 4.550 0.001 0.000 0.340 562 Y C 0.249 176.145 175.900 -0.007 0.000 1.016 562 Y CA -0.136 57.948 58.100 -0.026 0.000 1.196 562 Y CB 1.264 39.688 38.460 -0.060 0.000 1.167 562 Y HN 0.370 nan 8.280 nan 0.000 0.509 563 V N 3.192 123.195 119.914 0.148 0.000 2.540 563 V HA 0.456 4.577 4.120 0.001 0.000 0.302 563 V C -0.279 175.977 176.094 0.271 0.000 1.035 563 V CA -0.825 61.572 62.300 0.162 0.000 0.873 563 V CB 2.071 33.959 31.823 0.109 0.000 0.992 563 V HN 0.758 nan 8.190 nan 0.000 0.428 564 T N 6.114 120.786 114.554 0.197 0.000 2.791 564 T HA 0.589 4.940 4.350 0.001 0.000 0.288 564 T C -0.257 174.517 174.700 0.123 0.000 0.999 564 T CA -0.298 61.905 62.100 0.172 0.000 0.952 564 T CB 0.746 69.690 68.868 0.126 0.000 0.938 564 T HN 0.346 nan 8.240 nan 0.000 0.444 565 L N 3.173 124.463 121.223 0.112 0.000 2.418 565 L HA 0.390 4.731 4.340 0.001 0.000 0.265 565 L C 0.882 177.768 176.870 0.026 0.000 1.143 565 L CA -1.153 53.713 54.840 0.044 0.000 0.809 565 L CB 0.448 42.496 42.059 -0.019 0.000 1.124 565 L HN 0.529 nan 8.230 nan 0.000 0.456 566 N N 0.468 119.160 118.700 -0.013 0.000 2.353 566 N HA -0.027 4.714 4.740 0.001 0.000 0.248 566 N C -0.217 175.312 175.510 0.031 0.000 1.240 566 N CA 0.190 53.206 53.050 -0.057 0.000 0.862 566 N CB 0.118 38.567 38.487 -0.064 0.000 1.086 566 N HN 0.486 nan 8.380 nan 0.000 0.453 567 H N 0.240 119.306 119.070 -0.007 0.000 3.167 567 H HA 0.072 4.628 4.556 0.001 0.000 0.306 567 H C 1.404 176.721 175.328 -0.019 0.000 0.965 567 H CA 0.533 56.574 56.048 -0.010 0.000 1.408 567 H CB 0.244 30.003 29.762 -0.005 0.000 1.406 567 H HN 0.885 nan 8.280 nan 0.000 0.576 568 G N 2.403 111.259 108.800 0.094 0.000 2.195 568 G HA2 -0.221 3.739 3.960 0.001 0.000 0.224 568 G HA3 -0.221 3.739 3.960 0.001 0.000 0.224 568 G C 0.033 174.931 174.900 -0.003 0.000 0.990 568 G CA -0.350 44.769 45.100 0.031 0.000 0.639 568 G HN 0.539 nan 8.290 nan 0.000 0.514 569 E N 0.642 120.836 120.200 -0.011 0.000 2.242 569 E HA 0.697 5.048 4.350 0.001 0.000 0.275 569 E C -0.440 176.101 176.600 -0.099 0.000 1.002 569 E CA -0.466 55.900 56.400 -0.057 0.000 0.841 569 E CB 1.947 31.609 29.700 -0.063 0.000 1.109 569 E HN 0.252 nan 8.360 nan 0.000 0.394 570 E N 1.655 121.767 120.200 -0.147 0.000 2.248 570 E HA 0.432 4.783 4.350 0.001 0.000 0.267 570 E C -2.515 173.884 176.600 -0.335 0.000 0.877 570 E CA -2.333 53.951 56.400 -0.192 0.000 0.759 570 E CB 1.453 31.077 29.700 -0.126 0.000 1.182 570 E HN 0.123 nan 8.360 nan 0.000 0.418 571 P HA 0.311 nan 4.420 nan 0.000 0.272 571 P C -1.163 175.898 177.300 -0.399 0.000 1.240 571 P CA -0.350 62.243 63.100 -0.845 0.000 0.791 571 P CB 0.713 31.695 31.700 -1.197 0.000 0.978 572 S N -1.075 114.469 115.700 -0.260 0.000 2.578 572 S HA 0.395 4.866 4.470 0.001 0.000 0.272 572 S C -2.623 172.040 174.600 0.105 0.000 1.145 572 S CA -1.028 57.141 58.200 -0.053 0.000 0.835 572 S CB 1.118 64.284 63.200 -0.057 0.000 1.104 572 S HN 0.057 nan 8.310 nan 0.000 0.458 573 P HA -0.075 nan 4.420 nan 0.000 0.216 573 P C 1.374 178.775 177.300 0.168 0.000 1.150 573 P CA 1.369 64.541 63.100 0.122 0.000 0.837 573 P CB 0.102 31.823 31.700 0.035 0.000 0.786 574 E N -0.690 119.575 120.200 0.110 0.000 2.051 574 E HA -0.202 4.149 4.350 0.001 0.000 0.192 574 E C 1.843 178.525 176.600 0.138 0.000 0.991 574 E CA 0.901 57.363 56.400 0.104 0.000 0.799 574 E CB -0.494 29.243 29.700 0.061 0.000 0.748 574 E HN 0.023 nan 8.360 nan 0.000 0.449 575 L N 0.246 121.542 121.223 0.122 0.000 2.093 575 L HA -0.149 4.192 4.340 0.001 0.000 0.208 575 L C 2.102 179.132 176.870 0.266 0.000 1.085 575 L CA 1.630 56.535 54.840 0.109 0.000 0.755 575 L CB -0.793 41.233 42.059 -0.054 0.000 0.904 575 L HN 0.249 nan 8.230 nan 0.000 0.435 576 Y N 0.070 120.562 120.300 0.319 0.000 2.040 576 Y HA -0.397 4.154 4.550 0.001 0.000 0.275 576 Y C 2.460 178.444 175.900 0.141 0.000 1.171 576 Y CA 2.564 60.870 58.100 0.343 0.000 1.123 576 Y CB -0.495 38.142 38.460 0.294 0.000 0.963 576 Y HN 0.268 nan 8.280 nan 0.000 0.493 577 A N -0.367 122.669 122.820 0.359 0.000 1.933 577 A HA -0.236 4.085 4.320 0.001 0.000 0.218 577 A C 2.182 179.857 177.584 0.152 0.000 1.175 577 A CA 1.828 53.999 52.037 0.224 0.000 0.628 577 A CB -0.852 18.259 19.000 0.184 0.000 0.814 577 A HN 0.674 nan 8.150 nan 0.000 0.444 578 E N -0.251 120.042 120.200 0.155 0.000 2.051 578 E HA -0.136 4.214 4.350 0.001 0.000 0.192 578 E C 1.913 178.610 176.600 0.162 0.000 0.991 578 E CA 1.482 57.980 56.400 0.164 0.000 0.799 578 E CB -0.094 29.704 29.700 0.163 0.000 0.748 578 E HN 0.354 nan 8.360 nan 0.000 0.449 579 V N 1.363 121.296 119.914 0.031 0.000 2.358 579 V HA -0.238 3.882 4.120 0.001 0.000 0.246 579 V C 2.465 178.601 176.094 0.070 0.000 1.047 579 V CA 1.678 63.953 62.300 -0.042 0.000 1.035 579 V CB -0.522 31.204 31.823 -0.160 0.000 0.658 579 V HN 0.253 nan 8.190 nan 0.000 0.452 580 R N 0.374 120.868 120.500 -0.010 0.000 2.083 580 R HA -0.165 4.176 4.340 0.001 0.000 0.237 580 R C 2.157 178.507 176.300 0.083 0.000 1.137 580 R CA 1.689 57.790 56.100 0.001 0.000 0.951 580 R CB -0.736 29.552 30.300 -0.020 0.000 0.851 580 R HN 0.508 nan 8.270 nan 0.000 0.434 581 N N 0.234 119.006 118.700 0.120 0.000 2.289 581 N HA -0.202 4.538 4.740 0.001 0.000 0.184 581 N C 1.333 176.937 175.510 0.157 0.000 1.016 581 N CA 0.790 53.914 53.050 0.124 0.000 0.872 581 N CB -0.315 38.252 38.487 0.133 0.000 0.973 581 N HN 0.432 nan 8.380 nan 0.000 0.433 582 W N 1.725 123.062 121.300 0.062 0.000 2.379 582 W HA -0.104 4.557 4.660 0.001 0.000 0.307 582 W C 1.421 177.981 176.519 0.067 0.000 1.200 582 W CA 0.891 58.294 57.345 0.097 0.000 1.297 582 W CB -0.278 29.298 29.460 0.193 0.000 1.140 582 W HN -0.175 nan 8.180 nan 0.000 0.507 583 V N 1.259 121.278 119.914 0.175 0.000 2.407 583 V HA -0.315 3.806 4.120 0.001 0.000 0.248 583 V C 2.326 178.413 176.094 -0.012 0.000 1.055 583 V CA 2.435 64.773 62.300 0.064 0.000 1.049 583 V CB -1.175 30.709 31.823 0.102 0.000 0.662 583 V HN 0.227 nan 8.190 nan 0.000 0.455 584 E N 0.561 120.765 120.200 0.006 0.000 2.085 584 E HA -0.297 4.054 4.350 0.001 0.000 0.194 584 E C 2.342 178.917 176.600 -0.042 0.000 0.994 584 E CA 1.542 57.941 56.400 -0.001 0.000 0.801 584 E CB -0.147 29.562 29.700 0.014 0.000 0.743 584 E HN 0.451 nan 8.360 nan 0.000 0.453 585 K N 0.388 120.720 120.400 -0.112 0.000 2.167 585 K HA -0.121 4.199 4.320 0.001 0.000 0.203 585 K C 1.652 178.110 176.600 -0.237 0.000 1.052 585 K CA 0.955 57.138 56.287 -0.173 0.000 0.956 585 K CB 0.150 32.516 32.500 -0.224 0.000 0.735 585 K HN 0.118 nan 8.250 nan 0.000 0.451 586 E N 0.186 120.197 120.200 -0.315 0.000 2.158 586 E HA -0.009 4.341 4.350 0.001 0.000 0.191 586 E C 1.907 178.449 176.600 -0.096 0.000 0.982 586 E CA 0.894 57.127 56.400 -0.278 0.000 0.823 586 E CB 0.256 29.759 29.700 -0.329 0.000 0.766 586 E HN 0.404 nan 8.360 nan 0.000 0.468 587 I N -1.862 118.703 120.570 -0.007 0.000 3.669 587 I HA 0.273 4.444 4.170 0.001 0.000 0.255 587 I C 0.902 177.168 176.117 0.249 0.000 1.144 587 I CA 0.373 61.752 61.300 0.132 0.000 1.447 587 I CB 1.197 39.289 38.000 0.152 0.000 1.622 587 I HN 0.034 nan 8.210 nan 0.000 0.435 588 G N 0.161 109.046 108.800 0.141 0.000 2.339 588 G HA2 0.144 4.104 3.960 0.001 0.000 0.302 588 G HA3 0.144 4.104 3.960 0.001 0.000 0.302 588 G C -2.731 172.196 174.900 0.044 0.000 1.425 588 G CA -0.607 44.554 45.100 0.102 0.000 0.899 588 G HN -0.247 nan 8.290 nan 0.000 0.619 589 P HA -0.107 nan 4.420 nan 0.000 0.217 589 P C 2.345 179.648 177.300 0.004 0.000 1.148 589 P CA 1.776 64.883 63.100 0.012 0.000 0.834 589 P CB -0.040 31.665 31.700 0.009 0.000 0.783 590 L N -3.551 117.657 121.223 -0.024 0.000 2.187 590 L HA -0.005 4.336 4.340 0.001 0.000 0.213 590 L C 1.843 178.694 176.870 -0.030 0.000 1.100 590 L CA 2.121 56.913 54.840 -0.081 0.000 0.765 590 L CB -1.175 40.681 42.059 -0.338 0.000 0.904 590 L HN -0.128 nan 8.230 nan 0.000 0.437 591 A N -0.515 122.308 122.820 0.005 0.000 2.390 591 A HA 0.258 4.578 4.320 0.001 0.000 0.232 591 A C 0.829 178.425 177.584 0.020 0.000 1.233 591 A CA -0.152 51.902 52.037 0.027 0.000 0.907 591 A CB -0.275 18.767 19.000 0.070 0.000 0.967 591 A HN 0.375 nan 8.150 nan 0.000 0.512 592 T N 3.834 118.394 114.554 0.010 0.000 2.871 592 T HA 0.288 4.638 4.350 0.001 0.000 0.296 592 T C -2.530 172.157 174.700 -0.022 0.000 0.998 592 T CA -0.193 61.908 62.100 0.001 0.000 1.162 592 T CB 0.429 69.299 68.868 0.004 0.000 0.947 592 T HN 0.172 nan 8.240 nan 0.000 0.536 593 P HA 0.205 nan 4.420 nan 0.000 0.269 593 P C -0.079 177.168 177.300 -0.089 0.000 1.209 593 P CA -0.224 62.828 63.100 -0.080 0.000 0.776 593 P CB 0.597 32.214 31.700 -0.139 0.000 0.876 594 D N 0.045 120.397 120.400 -0.080 0.000 2.271 594 D HA 0.042 4.683 4.640 0.001 0.000 0.206 594 D C -0.018 176.243 176.300 -0.066 0.000 0.967 594 D CA 0.920 54.888 54.000 -0.054 0.000 0.867 594 D CB 0.254 41.025 40.800 -0.049 0.000 0.960 594 D HN 0.059 nan 8.370 nan 0.000 0.509 595 V N 1.287 121.093 119.914 -0.180 0.000 2.709 595 V HA 0.385 4.505 4.120 0.001 0.000 0.308 595 V C -0.854 174.907 176.094 -0.554 0.000 1.062 595 V CA -0.851 61.248 62.300 -0.336 0.000 0.901 595 V CB 2.396 33.885 31.823 -0.557 0.000 1.003 595 V HN -0.012 nan 8.190 nan 0.000 0.425 596 L N 3.894 124.746 121.223 -0.618 0.000 2.325 596 L HA 0.558 4.898 4.340 0.001 0.000 0.281 596 L C -0.555 175.822 176.870 -0.822 0.000 1.004 596 L CA -0.530 53.775 54.840 -0.892 0.000 0.823 596 L CB 1.462 42.653 42.059 -1.446 0.000 1.236 596 L HN 0.777 nan 8.230 nan 0.000 0.415 597 H N 3.000 121.579 119.070 -0.819 0.000 2.673 597 H HA 0.283 4.840 4.556 0.001 0.000 0.293 597 H C -1.214 173.959 175.328 -0.258 0.000 1.065 597 H CA -0.750 54.979 56.048 -0.531 0.000 1.236 597 H CB 0.562 29.978 29.762 -0.578 0.000 1.389 597 H HN 0.484 nan 8.280 nan 0.000 0.481 598 W N 4.344 125.715 121.300 0.118 0.000 2.253 598 W HA 0.312 4.972 4.660 0.001 0.000 0.322 598 W C 0.383 177.053 176.519 0.253 0.000 1.342 598 W CA -0.336 57.093 57.345 0.140 0.000 1.218 598 W CB 1.133 30.631 29.460 0.063 0.000 1.205 598 W HN 0.423 nan 8.180 nan 0.000 0.551 599 T N 1.919 116.766 114.554 0.489 0.000 2.853 599 T HA 0.144 4.495 4.350 0.001 0.000 0.311 599 T C -0.663 174.189 174.700 0.253 0.000 1.307 599 T CA -0.662 61.669 62.100 0.385 0.000 1.019 599 T CB 1.327 70.461 68.868 0.443 0.000 1.264 599 T HN 0.372 nan 8.240 nan 0.000 0.497 600 D N 1.685 122.198 120.400 0.188 0.000 2.593 600 D HA 0.306 4.946 4.640 0.001 0.000 0.241 600 D C 0.087 176.452 176.300 0.108 0.000 1.257 600 D CA 0.017 54.099 54.000 0.137 0.000 0.828 600 D CB 0.819 41.685 40.800 0.110 0.000 1.049 600 D HN 0.280 nan 8.370 nan 0.000 0.490 601 S N 0.267 116.034 115.700 0.112 0.000 2.835 601 S HA 0.239 4.710 4.470 0.001 0.000 0.248 601 S C 0.499 175.109 174.600 0.016 0.000 1.070 601 S CA -0.411 57.831 58.200 0.071 0.000 1.090 601 S CB 0.653 63.909 63.200 0.092 0.000 0.978 601 S HN 0.195 nan 8.310 nan 0.000 0.510 602 L N 4.102 125.326 121.223 0.003 0.000 2.559 602 L HA 0.152 4.492 4.340 0.001 0.000 0.274 602 L C -1.933 174.898 176.870 -0.065 0.000 1.205 602 L CA -1.038 53.761 54.840 -0.068 0.000 0.907 602 L CB 0.153 42.188 42.059 -0.039 0.000 1.153 602 L HN 0.094 nan 8.230 nan 0.000 0.490 603 P HA 0.186 nan 4.420 nan 0.000 0.276 603 P C -1.178 176.087 177.300 -0.060 0.000 1.253 603 P CA -0.202 62.852 63.100 -0.077 0.000 0.766 603 P CB 0.876 32.515 31.700 -0.102 0.000 0.845 604 K N 1.326 121.705 120.400 -0.036 0.000 2.443 604 K HA 0.455 4.776 4.320 0.001 0.000 0.251 604 K C 0.571 177.158 176.600 -0.020 0.000 0.972 604 K CA -0.690 55.581 56.287 -0.027 0.000 0.833 604 K CB 1.892 34.383 32.500 -0.016 0.000 1.317 604 K HN 0.417 nan 8.250 nan 0.000 0.441 605 T N -1.606 112.937 114.554 -0.018 0.000 2.754 605 T HA 0.177 4.527 4.350 0.001 0.000 0.286 605 T C 1.122 175.817 174.700 -0.009 0.000 0.997 605 T CA -0.397 61.695 62.100 -0.014 0.000 0.982 605 T CB 0.679 69.539 68.868 -0.014 0.000 1.027 605 T HN 0.542 nan 8.240 nan 0.000 0.529 606 R N 0.235 120.731 120.500 -0.007 0.000 2.237 606 R HA 0.012 4.353 4.340 0.001 0.000 0.219 606 R C 2.024 178.323 176.300 -0.003 0.000 1.080 606 R CA 1.115 57.213 56.100 -0.004 0.000 0.995 606 R CB -0.196 30.102 30.300 -0.003 0.000 0.875 606 R HN 0.801 nan 8.270 nan 0.000 0.462 607 S N -1.336 114.362 115.700 -0.004 0.000 2.582 607 S HA 0.246 4.716 4.470 0.001 0.000 0.234 607 S C 1.073 175.671 174.600 -0.003 0.000 0.961 607 S CA 0.060 58.258 58.200 -0.003 0.000 0.953 607 S CB 1.094 64.291 63.200 -0.004 0.000 0.800 607 S HN 0.410 nan 8.310 nan 0.000 0.471 608 G N -0.028 108.770 108.800 -0.004 0.000 2.141 608 G HA2 -0.072 3.889 3.960 0.001 0.000 0.242 608 G HA3 -0.072 3.889 3.960 0.001 0.000 0.242 608 G C 0.150 175.046 174.900 -0.006 0.000 0.982 608 G CA -0.009 45.089 45.100 -0.003 0.000 0.662 608 G HN 1.074 nan 8.290 nan 0.000 0.527 609 K N 0.328 120.722 120.400 -0.010 0.000 2.249 609 K HA 0.769 5.090 4.320 0.001 0.000 0.280 609 K C 0.487 177.075 176.600 -0.020 0.000 1.033 609 K CA -0.106 56.173 56.287 -0.013 0.000 0.946 609 K CB 0.538 33.029 32.500 -0.014 0.000 1.005 609 K HN 0.651 nan 8.250 nan 0.000 0.469 610 I N 2.489 123.046 120.570 -0.023 0.000 2.471 610 I HA 0.130 4.300 4.170 0.001 0.000 0.286 610 I C 0.660 176.749 176.117 -0.046 0.000 1.079 610 I CA 0.041 61.318 61.300 -0.039 0.000 1.398 610 I CB 1.006 38.984 38.000 -0.037 0.000 1.403 610 I HN 0.640 nan 8.210 nan 0.000 0.530 611 M N 6.989 126.553 119.600 -0.061 0.000 2.261 611 M HA 0.293 4.773 4.480 0.001 0.000 0.349 611 M C 0.950 177.203 176.300 -0.078 0.000 1.305 611 M CA -0.039 55.226 55.300 -0.059 0.000 1.240 611 M CB 0.528 33.095 32.600 -0.055 0.000 1.394 611 M HN 0.533 nan 8.290 nan 0.000 0.438 612 R N 1.082 121.547 120.500 -0.058 0.000 2.240 612 R HA -0.019 4.321 4.340 0.001 0.000 0.203 612 R C 2.624 178.894 176.300 -0.050 0.000 1.011 612 R CA 0.785 56.850 56.100 -0.058 0.000 1.007 612 R CB -0.059 30.224 30.300 -0.027 0.000 0.911 612 R HN 0.786 nan 8.270 nan 0.000 0.468 613 R N 1.190 121.665 120.500 -0.041 0.000 2.073 613 R HA -0.125 4.216 4.340 0.001 0.000 0.234 613 R C 1.942 178.217 176.300 -0.042 0.000 1.134 613 R CA 1.737 57.819 56.100 -0.031 0.000 0.952 613 R CB -1.295 28.991 30.300 -0.023 0.000 0.850 613 R HN 0.207 nan 8.270 nan 0.000 0.433 614 I N 0.538 121.074 120.570 -0.057 0.000 2.179 614 I HA -0.138 4.032 4.170 0.001 0.000 0.242 614 I C 2.323 178.387 176.117 -0.089 0.000 1.088 614 I CA 1.302 62.563 61.300 -0.065 0.000 1.357 614 I CB -0.141 37.818 38.000 -0.068 0.000 1.051 614 I HN 0.359 nan 8.210 nan 0.000 0.409 615 L N 0.008 121.141 121.223 -0.149 0.000 2.079 615 L HA -0.239 4.102 4.340 0.001 0.000 0.210 615 L C 2.768 179.617 176.870 -0.035 0.000 1.081 615 L CA 1.662 56.375 54.840 -0.212 0.000 0.752 615 L CB -0.738 41.093 42.059 -0.379 0.000 0.896 615 L HN 0.260 nan 8.230 nan 0.000 0.433 616 R N 0.517 120.996 120.500 -0.036 0.000 2.083 616 R HA -0.201 4.140 4.340 0.001 0.000 0.237 616 R C 2.324 178.595 176.300 -0.048 0.000 1.137 616 R CA 1.709 57.792 56.100 -0.028 0.000 0.951 616 R CB 0.022 30.312 30.300 -0.017 0.000 0.851 616 R HN 0.277 nan 8.270 nan 0.000 0.434 617 K N -0.166 120.211 120.400 -0.039 0.000 2.031 617 K HA -0.035 4.286 4.320 0.001 0.000 0.205 617 K C 2.082 178.662 176.600 -0.034 0.000 1.049 617 K CA 1.361 57.629 56.287 -0.033 0.000 0.939 617 K CB -0.083 32.403 32.500 -0.023 0.000 0.717 617 K HN 0.153 nan 8.250 nan 0.000 0.438 618 I N 1.232 121.788 120.570 -0.023 0.000 2.127 618 I HA -0.323 3.847 4.170 0.001 0.000 0.241 618 I C 2.499 178.591 176.117 -0.042 0.000 1.075 618 I CA 1.349 62.654 61.300 0.009 0.000 1.334 618 I CB -0.424 37.612 38.000 0.061 0.000 1.040 618 I HN 0.175 nan 8.210 nan 0.000 0.405 619 A N 0.650 123.373 122.820 -0.160 0.000 1.940 619 A HA -0.181 4.139 4.320 0.001 0.000 0.219 619 A C 2.455 179.856 177.584 -0.305 0.000 1.176 619 A CA 1.885 53.595 52.037 -0.545 0.000 0.631 619 A CB -0.833 17.558 19.000 -1.015 0.000 0.814 619 A HN 0.466 nan 8.150 nan 0.000 0.446 620 A N -1.688 121.037 122.820 -0.158 0.000 2.172 620 A HA 0.369 4.689 4.320 0.001 0.000 0.216 620 A C 1.634 179.195 177.584 -0.039 0.000 1.154 620 A CA 1.400 53.392 52.037 -0.076 0.000 0.701 620 A CB -0.906 18.067 19.000 -0.047 0.000 0.789 620 A HN 2.048 nan 8.150 nan 0.000 0.465 621 G N -0.061 108.720 108.800 -0.032 0.000 2.580 621 G HA2 0.030 3.990 3.960 0.001 0.000 0.204 621 G HA3 0.030 3.990 3.960 0.001 0.000 0.204 621 G C -0.625 174.276 174.900 0.002 0.000 1.107 621 G CA 0.116 45.214 45.100 -0.002 0.000 0.881 621 G HN 1.038 nan 8.290 nan 0.000 0.497 632 L N 2.290 123.506 121.223 -0.012 0.000 2.292 632 L HA 0.980 5.320 4.340 0.001 0.000 0.284 632 L C 1.596 178.460 176.870 -0.009 0.000 1.065 632 L CA 0.246 55.078 54.840 -0.014 0.000 0.806 632 L CB 1.032 43.079 42.059 -0.019 0.000 1.175 632 L HN 0.147 nan 8.230 nan 0.000 0.431 633 A N 2.416 125.231 122.820 -0.009 0.000 1.908 633 A HA -0.148 4.172 4.320 0.001 0.000 0.218 633 A C 0.841 178.424 177.584 -0.001 0.000 1.181 633 A CA 1.836 53.871 52.037 -0.004 0.000 0.627 633 A CB -0.633 18.365 19.000 -0.002 0.000 0.818 633 A HN 0.898 nan 8.150 nan 0.000 0.445 634 D N -1.982 118.416 120.400 -0.002 0.000 2.420 634 D HA 0.310 4.951 4.640 0.001 0.000 0.255 634 D C -2.042 174.258 176.300 0.000 0.000 1.185 634 D CA -2.095 51.906 54.000 0.002 0.000 0.904 634 D CB 1.390 42.194 40.800 0.006 0.000 1.102 634 D HN 0.021 nan 8.370 nan 0.000 0.534 635 P HA 0.002 nan 4.420 nan 0.000 0.226 635 P C 1.383 178.686 177.300 0.005 0.000 1.153 635 P CA 0.415 63.515 63.100 -0.000 0.000 0.777 635 P CB 0.255 31.955 31.700 0.000 0.000 0.794 636 G N 1.162 109.967 108.800 0.009 0.000 2.470 636 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 636 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 636 G C 1.650 176.562 174.900 0.020 0.000 1.121 636 G CA 0.965 46.074 45.100 0.015 0.000 0.766 636 G HN 0.346 nan 8.290 nan 0.000 0.553 637 V N -0.892 119.032 119.914 0.016 0.000 2.407 637 V HA -0.158 3.963 4.120 0.001 0.000 0.248 637 V C 2.634 178.743 176.094 0.025 0.000 1.055 637 V CA 1.697 64.010 62.300 0.022 0.000 1.049 637 V CB -0.866 30.960 31.823 0.006 0.000 0.662 637 V HN 0.141 nan 8.190 nan 0.000 0.455 638 V N 1.285 121.207 119.914 0.013 0.000 2.252 638 V HA -0.262 3.858 4.120 0.001 0.000 0.249 638 V C 3.333 179.450 176.094 0.038 0.000 1.056 638 V CA 3.060 65.369 62.300 0.015 0.000 1.022 638 V CB -1.664 30.162 31.823 0.005 0.000 0.641 638 V HN 0.787 nan 8.190 nan 0.000 0.445 639 E N 0.369 120.591 120.200 0.037 0.000 2.077 639 E HA -0.293 4.058 4.350 0.001 0.000 0.193 639 E C 2.321 178.959 176.600 0.065 0.000 0.989 639 E CA 2.448 58.875 56.400 0.045 0.000 0.800 639 E CB -0.907 28.814 29.700 0.035 0.000 0.746 639 E HN 0.738 nan 8.360 nan 0.000 0.452 640 K N 0.525 120.966 120.400 0.069 0.000 2.057 640 K HA 0.131 4.451 4.320 0.001 0.000 0.207 640 K C 2.414 179.101 176.600 0.144 0.000 1.049 640 K CA 1.368 57.711 56.287 0.093 0.000 0.931 640 K CB -0.940 31.612 32.500 0.086 0.000 0.714 640 K HN 0.438 nan 8.250 nan 0.000 0.440 641 L N 0.137 121.453 121.223 0.155 0.000 2.083 641 L HA -0.110 4.231 4.340 0.001 0.000 0.209 641 L C 2.786 179.812 176.870 0.261 0.000 1.083 641 L CA 1.011 55.999 54.840 0.247 0.000 0.752 641 L CB -0.396 41.747 42.059 0.140 0.000 0.899 641 L HN 0.294 nan 8.230 nan 0.000 0.433 642 L N -0.607 120.710 121.223 0.157 0.000 2.046 642 L HA -0.223 4.118 4.340 0.001 0.000 0.208 642 L C 2.571 179.514 176.870 0.121 0.000 1.077 642 L CA 1.345 56.263 54.840 0.128 0.000 0.747 642 L CB -0.400 41.707 42.059 0.080 0.000 0.896 642 L HN 0.296 nan 8.230 nan 0.000 0.432 643 E N -0.066 120.197 120.200 0.105 0.000 2.031 643 E HA -0.240 4.111 4.350 0.001 0.000 0.193 643 E C 2.073 178.720 176.600 0.078 0.000 0.994 643 E CA 1.343 57.791 56.400 0.080 0.000 0.800 643 E CB -0.013 29.727 29.700 0.067 0.000 0.752 643 E HN 0.490 nan 8.360 nan 0.000 0.447 644 E N 0.723 120.984 120.200 0.101 0.000 2.049 644 E HA -0.231 4.120 4.350 0.001 0.000 0.198 644 E C 2.118 178.694 176.600 -0.041 0.000 1.007 644 E CA 0.934 57.343 56.400 0.015 0.000 0.809 644 E CB -0.012 29.710 29.700 0.037 0.000 0.749 644 E HN -0.044 nan 8.360 nan 0.000 0.450 645 K N 1.119 121.607 120.400 0.147 0.000 2.063 645 K HA -0.210 4.110 4.320 0.001 0.000 0.208 645 K C 2.074 178.738 176.600 0.107 0.000 1.048 645 K CA 1.555 57.964 56.287 0.203 0.000 0.928 645 K CB -0.185 32.498 32.500 0.304 0.000 0.713 645 K HN 0.139 nan 8.250 nan 0.000 0.442 646 Q N -0.668 119.183 119.800 0.085 0.000 2.124 646 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 646 Q C 1.883 177.904 176.000 0.034 0.000 0.977 646 Q CA 1.622 57.459 55.803 0.057 0.000 0.850 646 Q CB -0.118 28.650 28.738 0.050 0.000 0.901 646 Q HN 0.384 nan 8.270 nan 0.000 0.429 647 A N -0.282 122.551 122.820 0.021 0.000 2.067 647 A HA 0.084 4.404 4.320 0.001 0.000 0.219 647 A C 0.613 178.191 177.584 -0.010 0.000 1.158 647 A CA 0.573 52.612 52.037 0.004 0.000 0.661 647 A CB -0.246 18.754 19.000 0.000 0.000 0.801 647 A HN 0.419 nan 8.150 nan 0.000 0.452 648 I N 0.000 120.563 120.570 -0.011 0.000 2.984 648 I HA 0.000 4.170 4.170 0.001 0.000 0.288 648 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 648 I CB 0.000 38.004 38.000 0.006 0.000 1.214 648 I HN 0.000 nan 8.210 nan 0.000 0.494