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 1pg3_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 GFSPEAVAGC 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 LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDXX XXGDTSTLAD PGVVEKLLEE KQA 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 0.000 175.251 175.328 -0.128 0.000 0.993 5 H CA 0.000 55.978 56.048 -0.117 0.000 1.023 5 H CB 0.000 29.713 29.762 -0.081 0.000 1.292 6 K N 1.298 121.609 120.400 -0.149 0.000 2.185 6 K HA 0.466 4.786 4.320 -0.000 0.000 0.269 6 K C -1.019 175.500 176.600 -0.135 0.000 0.987 6 K CA -0.937 55.282 56.287 -0.113 0.000 0.865 6 K CB 1.228 33.662 32.500 -0.109 0.000 1.090 6 K HN 0.630 nan 8.250 nan 0.000 0.450 7 H N 0.826 119.826 119.070 -0.117 0.000 2.552 7 H HA 0.255 4.811 4.556 -0.000 0.000 0.311 7 H C 0.041 175.372 175.328 0.005 0.000 1.071 7 H CA -0.177 55.830 56.048 -0.068 0.000 1.307 7 H CB 1.322 31.021 29.762 -0.105 0.000 1.416 7 H HN 0.725 nan 8.280 nan 0.000 0.464 8 A N 3.732 126.606 122.820 0.089 0.000 2.409 8 A HA 0.204 4.524 4.320 -0.000 0.000 0.246 8 A C 0.172 177.830 177.584 0.124 0.000 1.099 8 A CA -0.361 51.727 52.037 0.085 0.000 0.789 8 A CB 0.052 19.086 19.000 0.057 0.000 1.053 8 A HN 0.771 nan 8.150 nan 0.000 0.503 9 I N 1.638 122.264 120.570 0.094 0.000 2.396 9 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 9 I C -1.896 174.276 176.117 0.091 0.000 1.056 9 I CA -1.458 59.898 61.300 0.094 0.000 1.365 9 I CB 0.857 38.897 38.000 0.068 0.000 1.407 9 I HN 0.416 nan 8.210 nan 0.000 0.509 10 P HA 0.013 nan 4.420 nan 0.000 0.266 10 P C 0.439 177.773 177.300 0.058 0.000 1.195 10 P CA -0.035 63.117 63.100 0.087 0.000 0.768 10 P CB 0.914 32.668 31.700 0.089 0.000 0.838 11 A N 4.114 126.962 122.820 0.047 0.000 1.908 11 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 11 A C 1.951 179.550 177.584 0.025 0.000 1.181 11 A CA 1.979 54.036 52.037 0.034 0.000 0.627 11 A CB -1.199 17.818 19.000 0.028 0.000 0.818 11 A HN 0.750 nan 8.150 nan 0.000 0.445 12 N N 0.383 119.094 118.700 0.018 0.000 2.166 12 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 12 N C 1.493 177.005 175.510 0.002 0.000 1.019 12 N CA 1.850 54.902 53.050 0.003 0.000 0.856 12 N CB -0.496 37.987 38.487 -0.006 0.000 0.993 12 N HN 0.382 nan 8.380 nan 0.000 0.426 13 I N 1.748 122.330 120.570 0.020 0.000 2.233 13 I HA -0.055 4.115 4.170 -0.000 0.000 0.243 13 I C 2.690 178.831 176.117 0.039 0.000 1.093 13 I CA 0.870 62.186 61.300 0.028 0.000 1.380 13 I CB -1.597 36.433 38.000 0.049 0.000 1.067 13 I HN 0.195 nan 8.210 nan 0.000 0.413 14 A N 0.455 123.301 122.820 0.043 0.000 1.933 14 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 14 A C 1.932 179.543 177.584 0.045 0.000 1.175 14 A CA 1.944 54.010 52.037 0.048 0.000 0.628 14 A CB -0.750 18.277 19.000 0.045 0.000 0.814 14 A HN 0.339 nan 8.150 nan 0.000 0.444 15 D N -0.873 119.546 120.400 0.032 0.000 2.263 15 D HA -0.116 4.523 4.640 -0.000 0.000 0.208 15 D C 1.937 178.258 176.300 0.035 0.000 0.971 15 D CA 1.500 55.517 54.000 0.028 0.000 0.867 15 D CB 0.002 40.811 40.800 0.014 0.000 0.929 15 D HN 0.789 nan 8.370 nan 0.000 0.492 16 R N -0.591 119.930 120.500 0.035 0.000 2.541 16 R HA 0.198 4.538 4.340 -0.000 0.000 0.332 16 R C 0.580 176.987 176.300 0.178 0.000 0.951 16 R CA -0.252 55.885 56.100 0.063 0.000 1.136 16 R CB -0.911 29.337 30.300 -0.087 0.000 1.449 16 R HN 0.173 nan 8.270 nan 0.000 0.531 17 C N 0.458 119.843 119.300 0.143 0.000 2.692 17 C HA 0.192 4.652 4.460 -0.000 0.000 0.409 17 C C 1.727 176.832 174.990 0.193 0.000 1.284 17 C CA -0.648 58.485 59.018 0.191 0.000 1.909 17 C CB 0.059 27.873 27.740 0.123 0.000 2.713 17 C HN 0.527 nan 8.230 nan 0.000 0.649 18 L N 1.251 122.592 121.223 0.196 0.000 2.307 18 L HA 0.271 4.611 4.340 -0.000 0.000 0.211 18 L C 0.523 177.446 176.870 0.088 0.000 1.099 18 L CA 0.662 55.592 54.840 0.151 0.000 0.816 18 L CB -0.328 41.869 42.059 0.230 0.000 0.952 18 L HN 0.634 nan 8.230 nan 0.000 0.455 19 I N 1.085 121.707 120.570 0.087 0.000 2.439 19 I HA 0.197 4.367 4.170 -0.000 0.000 0.283 19 I C -0.704 175.461 176.117 0.080 0.000 1.023 19 I CA -0.628 60.704 61.300 0.055 0.000 1.100 19 I CB 1.106 39.135 38.000 0.047 0.000 1.238 19 I HN 0.137 nan 8.210 nan 0.000 0.445 20 N N 7.082 125.827 118.700 0.076 0.000 2.447 20 N HA 0.493 5.233 4.740 -0.000 0.000 0.271 20 N C -2.331 173.235 175.510 0.094 0.000 1.226 20 N CA -1.569 51.525 53.050 0.073 0.000 0.980 20 N CB 0.190 38.713 38.487 0.061 0.000 1.206 20 N HN 0.105 nan 8.380 nan 0.000 0.558 21 P HA -0.172 nan 4.420 nan 0.000 0.215 21 P C 1.349 178.730 177.300 0.136 0.000 1.157 21 P CA 2.904 66.064 63.100 0.100 0.000 0.874 21 P CB -0.187 31.554 31.700 0.069 0.000 0.790 22 E N 0.216 120.472 120.200 0.092 0.000 2.051 22 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 22 E C 2.021 178.662 176.600 0.068 0.000 0.991 22 E CA 1.696 58.140 56.400 0.073 0.000 0.799 22 E CB -1.738 27.990 29.700 0.046 0.000 0.748 22 E HN 0.419 nan 8.360 nan 0.000 0.449 23 Q N -1.502 118.337 119.800 0.066 0.000 2.096 23 Q HA -0.145 4.194 4.340 -0.000 0.000 0.204 23 Q C 2.193 178.231 176.000 0.063 0.000 0.982 23 Q CA 1.805 57.628 55.803 0.034 0.000 0.850 23 Q CB -0.401 28.351 28.738 0.023 0.000 0.901 23 Q HN 0.789 nan 8.270 nan 0.000 0.422 24 Y N 1.402 121.748 120.300 0.077 0.000 2.070 24 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 24 Y C 2.497 178.510 175.900 0.188 0.000 1.148 24 Y CA 2.477 60.695 58.100 0.197 0.000 1.125 24 Y CB -0.764 37.742 38.460 0.077 0.000 0.975 24 Y HN 0.194 nan 8.280 nan 0.000 0.492 25 E N 0.003 120.185 120.200 -0.030 0.000 2.049 25 E HA -0.284 4.066 4.350 -0.000 0.000 0.198 25 E C 2.070 178.600 176.600 -0.118 0.000 1.007 25 E CA 2.909 59.251 56.400 -0.096 0.000 0.809 25 E CB -1.937 27.803 29.700 0.067 0.000 0.749 25 E HN 0.734 nan 8.360 nan 0.000 0.450 26 T N -1.106 113.395 114.554 -0.088 0.000 2.701 26 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 26 T C 2.133 176.709 174.700 -0.207 0.000 1.040 26 T CA 1.525 63.560 62.100 -0.108 0.000 1.147 26 T CB -0.214 68.610 68.868 -0.073 0.000 0.865 26 T HN 0.460 nan 8.240 nan 0.000 0.426 27 K N -0.111 120.117 120.400 -0.287 0.000 2.063 27 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 27 K C 2.173 178.308 176.600 -0.774 0.000 1.048 27 K CA 1.625 57.593 56.287 -0.533 0.000 0.928 27 K CB -0.449 31.564 32.500 -0.811 0.000 0.713 27 K HN 0.468 nan 8.250 nan 0.000 0.442 28 Y N 2.228 122.157 120.300 -0.618 0.000 2.145 28 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 28 Y C 2.348 178.013 175.900 -0.392 0.000 1.145 28 Y CA 1.657 59.481 58.100 -0.460 0.000 1.148 28 Y CB -0.079 38.012 38.460 -0.614 0.000 0.981 28 Y HN -0.097 nan 8.280 nan 0.000 0.507 29 K N 0.010 120.228 120.400 -0.303 0.000 2.032 29 K HA -0.307 4.013 4.320 -0.000 0.000 0.209 29 K C 2.386 178.798 176.600 -0.314 0.000 1.048 29 K CA 2.018 58.156 56.287 -0.247 0.000 0.927 29 K CB -0.319 32.119 32.500 -0.104 0.000 0.712 29 K HN 0.512 nan 8.250 nan 0.000 0.441 30 Q N 0.305 119.911 119.800 -0.322 0.000 2.079 30 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 30 Q C 1.952 177.735 176.000 -0.362 0.000 0.974 30 Q CA 1.941 57.592 55.803 -0.253 0.000 0.840 30 Q CB -0.105 28.541 28.738 -0.152 0.000 0.898 30 Q HN 0.445 nan 8.270 nan 0.000 0.430 31 S N -0.305 114.915 115.700 -0.799 0.000 2.442 31 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 31 S C 1.730 176.081 174.600 -0.416 0.000 1.007 31 S CA 0.867 58.469 58.200 -0.996 0.000 0.965 31 S CB -0.151 62.012 63.200 -1.728 0.000 0.773 31 S HN 0.373 nan 8.310 nan 0.000 0.504 32 I N 2.149 122.459 120.570 -0.433 0.000 2.729 32 I HA 0.106 4.276 4.170 -0.000 0.000 0.256 32 I C 1.906 177.958 176.117 -0.109 0.000 1.115 32 I CA 0.567 61.715 61.300 -0.254 0.000 1.446 32 I CB -1.572 36.205 38.000 -0.372 0.000 1.176 32 I HN 0.289 nan 8.210 nan 0.000 0.446 33 N N 0.688 119.315 118.700 -0.122 0.000 2.216 33 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 33 N C 0.531 176.028 175.510 -0.022 0.000 1.017 33 N CA 1.100 54.116 53.050 -0.056 0.000 0.861 33 N CB 0.059 38.512 38.487 -0.057 0.000 0.986 33 N HN 0.275 nan 8.380 nan 0.000 0.428 34 D N -0.049 120.339 120.400 -0.021 0.000 2.552 34 D HA 0.173 4.813 4.640 -0.000 0.000 0.285 34 D C -1.890 174.468 176.300 0.097 0.000 1.206 34 D CA -1.881 52.138 54.000 0.031 0.000 0.826 34 D CB 1.141 41.956 40.800 0.024 0.000 1.179 34 D HN -0.009 nan 8.370 nan 0.000 0.508 35 P HA -0.113 nan 4.420 nan 0.000 0.217 35 P C 0.920 178.480 177.300 0.434 0.000 1.150 35 P CA 0.750 64.076 63.100 0.377 0.000 0.832 35 P CB 0.775 32.762 31.700 0.480 0.000 0.787 36 D N -0.352 120.195 120.400 0.244 0.000 2.116 36 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 36 D C 1.994 178.417 176.300 0.205 0.000 0.998 36 D CA 1.655 55.766 54.000 0.186 0.000 0.836 36 D CB -0.908 39.938 40.800 0.077 0.000 0.951 36 D HN 0.169 nan 8.370 nan 0.000 0.449 37 T N 0.099 114.748 114.554 0.159 0.000 2.812 37 T HA -0.081 4.269 4.350 -0.000 0.000 0.264 37 T C 1.704 176.470 174.700 0.109 0.000 1.042 37 T CA 0.462 62.634 62.100 0.119 0.000 1.140 37 T CB -0.400 68.512 68.868 0.074 0.000 0.870 37 T HN 0.102 nan 8.240 nan 0.000 0.445 38 F N 0.548 120.479 119.950 -0.031 0.000 2.051 38 F HA -0.074 4.453 4.527 -0.000 0.000 0.296 38 F C 1.844 177.575 175.800 -0.115 0.000 1.122 38 F CA 1.243 59.128 58.000 -0.192 0.000 1.201 38 F CB -0.508 38.242 39.000 -0.416 0.000 0.978 38 F HN 0.190 nan 8.300 nan 0.000 0.472 39 W N 0.339 121.797 121.300 0.263 0.000 2.425 39 W HA 0.046 4.705 4.660 -0.000 0.000 0.277 39 W C 2.585 179.263 176.519 0.264 0.000 1.231 39 W CA 0.784 58.284 57.345 0.257 0.000 1.248 39 W CB -0.971 28.739 29.460 0.416 0.000 1.117 39 W HN 0.170 nan 8.180 nan 0.000 0.568 40 G N 0.539 109.580 108.800 0.401 0.000 2.422 40 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 40 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 40 G C 1.251 176.336 174.900 0.307 0.000 1.146 40 G CA 1.084 46.417 45.100 0.388 0.000 0.769 40 G HN 0.314 nan 8.290 nan 0.000 0.547 41 E N -0.632 119.636 120.200 0.114 0.000 2.140 41 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 41 E C 2.430 179.032 176.600 0.004 0.000 0.973 41 E CA 0.541 56.953 56.400 0.020 0.000 0.829 41 E CB -0.037 29.610 29.700 -0.088 0.000 0.781 41 E HN 0.288 nan 8.360 nan 0.000 0.466 42 Q N 0.769 120.520 119.800 -0.083 0.000 2.291 42 Q HA -0.043 4.297 4.340 -0.000 0.000 0.205 42 Q C 1.869 178.015 176.000 0.242 0.000 0.970 42 Q CA 1.427 57.221 55.803 -0.015 0.000 0.876 42 Q CB -0.456 28.141 28.738 -0.235 0.000 0.935 42 Q HN 0.275 nan 8.270 nan 0.000 0.455 43 G N -0.023 108.976 108.800 0.332 0.000 2.559 43 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 43 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 43 G C 1.078 176.200 174.900 0.370 0.000 1.126 43 G CA 0.240 45.506 45.100 0.277 0.000 0.778 43 G HN 0.171 nan 8.290 nan 0.000 0.543 44 K N 0.303 120.861 120.400 0.263 0.000 2.555 44 K HA 0.150 4.470 4.320 -0.000 0.000 0.193 44 K C 1.783 178.492 176.600 0.182 0.000 1.032 44 K CA -0.104 56.311 56.287 0.212 0.000 1.004 44 K CB -0.113 32.452 32.500 0.107 0.000 0.804 44 K HN 0.470 nan 8.250 nan 0.000 0.496 45 I N 0.611 121.286 120.570 0.175 0.000 3.176 45 I HA -0.072 4.098 4.170 -0.000 0.000 0.275 45 I C -0.034 176.134 176.117 0.085 0.000 1.298 45 I CA 0.419 61.787 61.300 0.114 0.000 1.445 45 I CB 0.300 38.360 38.000 0.099 0.000 1.075 45 I HN -0.020 nan 8.210 nan 0.000 0.482 46 L N -0.088 121.207 121.223 0.120 0.000 2.301 46 L HA 0.445 4.785 4.340 -0.000 0.000 0.264 46 L C -0.932 175.932 176.870 -0.009 0.000 1.016 46 L CA -1.134 53.693 54.840 -0.022 0.000 0.821 46 L CB 1.269 43.219 42.059 -0.181 0.000 1.346 46 L HN -0.182 nan 8.230 nan 0.000 0.429 47 D N 0.354 120.666 120.400 -0.147 0.000 2.225 47 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 47 D C -1.209 174.955 176.300 -0.227 0.000 1.096 47 D CA 0.179 54.128 54.000 -0.084 0.000 0.863 47 D CB 0.953 41.694 40.800 -0.098 0.000 1.156 47 D HN 0.149 nan 8.370 nan 0.000 0.450 48 W N 2.315 123.589 121.300 -0.043 0.000 2.529 48 W HA 0.398 5.058 4.660 -0.000 0.000 0.321 48 W C 1.323 177.821 176.519 -0.035 0.000 1.047 48 W CA -0.672 56.654 57.345 -0.032 0.000 1.216 48 W CB 0.754 30.182 29.460 -0.054 0.000 1.357 48 W HN 0.352 nan 8.180 nan 0.000 0.489 49 I N 1.622 122.274 120.570 0.136 0.000 2.315 49 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 49 I C 1.112 177.293 176.117 0.107 0.000 1.117 49 I CA 1.226 62.576 61.300 0.084 0.000 1.404 49 I CB -0.335 37.694 38.000 0.049 0.000 1.071 49 I HN 0.374 nan 8.210 nan 0.000 0.419 50 T N -0.961 113.694 114.554 0.169 0.000 2.881 50 T HA 0.435 4.785 4.350 -0.000 0.000 0.290 50 T C -2.648 172.131 174.700 0.132 0.000 1.000 50 T CA -2.038 60.133 62.100 0.118 0.000 0.978 50 T CB 2.096 71.025 68.868 0.101 0.000 0.997 50 T HN -0.162 nan 8.240 nan 0.000 0.443 51 P HA 0.190 nan 4.420 nan 0.000 0.272 51 P C -0.829 176.320 177.300 -0.253 0.000 1.240 51 P CA -0.336 62.599 63.100 -0.276 0.000 0.791 51 P CB 0.419 31.944 31.700 -0.292 0.000 0.978 52 Y N -2.324 117.807 120.300 -0.283 0.000 2.545 52 Y HA 0.675 5.225 4.550 -0.000 0.000 0.324 52 Y C 1.574 177.408 175.900 -0.110 0.000 1.220 52 Y CA -0.666 57.317 58.100 -0.195 0.000 1.290 52 Y CB -0.756 37.523 38.460 -0.302 0.000 1.355 52 Y HN 0.426 nan 8.280 nan 0.000 0.516 53 Q N 0.248 120.183 119.800 0.226 0.000 2.462 53 Q HA 0.384 4.724 4.340 -0.000 0.000 0.194 53 Q C 0.720 176.809 176.000 0.149 0.000 0.694 53 Q CA 0.505 56.392 55.803 0.140 0.000 0.873 53 Q CB -0.807 27.965 28.738 0.057 0.000 1.261 53 Q HN 0.962 nan 8.270 nan 0.000 0.531 54 K N 1.236 121.685 120.400 0.082 0.000 2.339 54 K HA 0.611 4.931 4.320 -0.000 0.000 0.286 54 K C 1.002 177.567 176.600 -0.058 0.000 1.050 54 K CA 0.226 56.512 56.287 -0.001 0.000 0.956 54 K CB 0.755 33.230 32.500 -0.041 0.000 0.990 54 K HN 0.472 nan 8.250 nan 0.000 0.475 55 V N 2.006 121.851 119.914 -0.115 0.000 2.465 55 V HA 0.130 4.250 4.120 -0.000 0.000 0.230 55 V C 1.131 176.929 176.094 -0.493 0.000 1.084 55 V CA 0.766 62.911 62.300 -0.258 0.000 1.092 55 V CB -0.121 31.667 31.823 -0.058 0.000 0.730 55 V HN 0.845 nan 8.190 nan 0.000 0.491 56 K N 1.850 121.926 120.400 -0.540 0.000 2.227 56 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 56 K C -0.682 175.516 176.600 -0.670 0.000 1.041 56 K CA -0.091 55.587 56.287 -1.015 0.000 0.905 56 K CB 0.345 32.333 32.500 -0.853 0.000 1.068 56 K HN 0.375 nan 8.250 nan 0.000 0.470 57 N N 3.040 121.292 118.700 -0.747 0.000 2.722 57 N HA 0.094 4.834 4.740 -0.000 0.000 0.242 57 N C -1.889 173.375 175.510 -0.410 0.000 1.398 57 N CA -0.350 52.438 53.050 -0.437 0.000 0.755 57 N CB 1.044 39.349 38.487 -0.304 0.000 1.268 57 N HN 0.667 nan 8.380 nan 0.000 0.522 58 T N -1.831 112.485 114.554 -0.396 0.000 2.916 58 T HA 0.817 5.167 4.350 -0.000 0.000 0.292 58 T C -0.800 173.777 174.700 -0.205 0.000 1.064 58 T CA -0.785 61.148 62.100 -0.279 0.000 1.011 58 T CB 1.822 70.508 68.868 -0.302 0.000 1.152 58 T HN 0.122 nan 8.240 nan 0.000 0.510 59 S N 0.130 115.769 115.700 -0.102 0.000 2.566 59 S HA 0.526 4.996 4.470 -0.000 0.000 0.273 59 S C -0.987 173.710 174.600 0.162 0.000 1.157 59 S CA -0.910 57.262 58.200 -0.046 0.000 0.938 59 S CB 0.766 63.951 63.200 -0.025 0.000 1.087 59 S HN 0.740 nan 8.310 nan 0.000 0.474 60 F N 2.317 122.233 119.950 -0.058 0.000 2.639 60 F HA 0.356 4.883 4.527 -0.000 0.000 0.302 60 F C 1.496 177.269 175.800 -0.044 0.000 1.097 60 F CA -0.644 57.294 58.000 -0.105 0.000 1.294 60 F CB 0.457 39.546 39.000 0.149 0.000 1.027 60 F HN 0.757 nan 8.300 nan 0.000 0.550 61 A N 1.808 124.713 122.820 0.142 0.000 2.565 61 A HA 0.111 4.431 4.320 -0.000 0.000 0.237 61 A C -2.249 175.378 177.584 0.071 0.000 1.053 61 A CA -0.987 51.108 52.037 0.098 0.000 0.755 61 A CB -0.555 18.480 19.000 0.059 0.000 0.980 61 A HN 0.016 nan 8.150 nan 0.000 0.506 62 P HA 0.041 nan 4.420 nan 0.000 0.259 62 P C 1.150 178.479 177.300 0.048 0.000 1.155 62 P CA 2.126 65.268 63.100 0.070 0.000 0.759 62 P CB 0.243 31.982 31.700 0.064 0.000 0.753 63 G N 2.848 111.674 108.800 0.043 0.000 2.225 63 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.272 63 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.272 63 G C 0.250 175.182 174.900 0.054 0.000 0.996 63 G CA 0.026 45.150 45.100 0.041 0.000 0.710 63 G HN 0.664 nan 8.290 nan 0.000 0.522 64 N N -0.440 118.287 118.700 0.045 0.000 2.673 64 N HA 0.255 4.995 4.740 -0.000 0.000 0.265 64 N C -0.421 175.116 175.510 0.046 0.000 1.709 64 N CA -0.185 52.903 53.050 0.064 0.000 0.792 64 N CB 1.554 40.068 38.487 0.044 0.000 1.286 64 N HN 0.090 nan 8.380 nan 0.000 0.506 65 V N 0.798 120.742 119.914 0.050 0.000 2.461 65 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 65 V C 0.446 176.626 176.094 0.144 0.000 1.047 65 V CA -0.075 62.201 62.300 -0.041 0.000 0.955 65 V CB 1.396 32.970 31.823 -0.415 0.000 0.988 65 V HN 0.339 nan 8.190 nan 0.000 0.471 66 S N 5.852 121.596 115.700 0.073 0.000 2.672 66 S HA 0.723 5.193 4.470 -0.000 0.000 0.291 66 S C -1.034 173.582 174.600 0.027 0.000 1.145 66 S CA -0.501 57.725 58.200 0.043 0.000 1.013 66 S CB 0.758 63.950 63.200 -0.013 0.000 1.017 66 S HN 0.547 nan 8.310 nan 0.000 0.487 67 I N 4.786 125.376 120.570 0.034 0.000 2.439 67 I HA 0.477 4.647 4.170 -0.000 0.000 0.283 67 I C -0.610 175.488 176.117 -0.032 0.000 1.023 67 I CA -0.443 60.866 61.300 0.016 0.000 1.100 67 I CB 1.749 39.822 38.000 0.122 0.000 1.238 67 I HN 0.417 nan 8.210 nan 0.000 0.445 68 K N 5.394 125.694 120.400 -0.167 0.000 2.443 68 K HA 0.557 4.877 4.320 -0.000 0.000 0.252 68 K C -1.875 174.504 176.600 -0.368 0.000 0.933 68 K CA -0.704 55.493 56.287 -0.149 0.000 0.792 68 K CB 2.439 34.856 32.500 -0.138 0.000 1.185 68 K HN 0.331 nan 8.250 nan 0.000 0.425 69 W N 2.028 123.226 121.300 -0.171 0.000 2.839 69 W HA 0.269 4.929 4.660 -0.000 0.000 0.334 69 W C -0.340 176.054 176.519 -0.208 0.000 1.064 69 W CA -0.264 56.869 57.345 -0.353 0.000 1.236 69 W CB 0.803 30.001 29.460 -0.436 0.000 1.405 69 W HN 0.681 nan 8.180 nan 0.000 0.478 70 Y N 0.259 120.564 120.300 0.009 0.000 4.236 70 Y HA -0.455 4.095 4.550 -0.000 0.000 0.220 70 Y C 2.113 178.033 175.900 0.035 0.000 1.115 70 Y CA 1.111 59.114 58.100 -0.162 0.000 1.811 70 Y CB -1.526 36.775 38.460 -0.264 0.000 1.581 70 Y HN 0.641 nan 8.280 nan 0.000 0.643 71 E N 1.390 121.664 120.200 0.124 0.000 2.197 71 E HA -0.327 4.023 4.350 -0.000 0.000 0.205 71 E C 1.409 178.093 176.600 0.139 0.000 1.029 71 E CA 1.999 58.468 56.400 0.115 0.000 0.828 71 E CB -0.308 29.405 29.700 0.023 0.000 0.737 71 E HN 0.742 nan 8.360 nan 0.000 0.464 72 D N 0.835 121.315 120.400 0.134 0.000 2.340 72 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 72 D C 0.728 177.137 176.300 0.182 0.000 1.039 72 D CA 0.409 54.487 54.000 0.129 0.000 0.866 72 D CB -0.028 40.825 40.800 0.087 0.000 0.913 72 D HN 0.200 nan 8.370 nan 0.000 0.523 73 G N 0.042 109.010 108.800 0.280 0.000 2.437 73 G HA2 0.516 4.476 3.960 -0.000 0.000 0.319 73 G HA3 0.516 4.476 3.960 -0.000 0.000 0.319 73 G C -0.265 174.955 174.900 0.534 0.000 1.158 73 G CA -0.338 44.996 45.100 0.388 0.000 0.899 73 G HN 0.219 nan 8.290 nan 0.000 0.502 74 T N -1.586 113.274 114.554 0.510 0.000 2.916 74 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 74 T C -0.254 174.572 174.700 0.210 0.000 1.055 74 T CA -0.498 61.783 62.100 0.302 0.000 1.009 74 T CB 1.677 70.644 68.868 0.165 0.000 1.118 74 T HN 1.398 nan 8.240 nan 0.000 0.497 75 L N -1.119 120.098 121.223 -0.009 0.000 3.104 75 L HA 0.786 5.126 4.340 -0.000 0.000 0.290 75 L C -2.052 174.732 176.870 -0.142 0.000 0.993 75 L CA -1.354 53.376 54.840 -0.182 0.000 1.016 75 L CB 1.659 43.354 42.059 -0.606 0.000 1.599 75 L HN 0.815 nan 8.230 nan 0.000 0.365 76 N N -0.488 118.112 118.700 -0.166 0.000 2.454 76 N HA 0.408 5.148 4.740 -0.000 0.000 0.291 76 N C -0.009 175.429 175.510 -0.119 0.000 1.079 76 N CA -0.689 52.302 53.050 -0.099 0.000 0.893 76 N CB 2.278 40.740 38.487 -0.041 0.000 1.512 76 N HN 0.874 nan 8.380 nan 0.000 0.497 77 L N 3.651 124.809 121.223 -0.109 0.000 2.083 77 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 77 L C 1.895 178.737 176.870 -0.046 0.000 1.083 77 L CA 1.973 56.743 54.840 -0.117 0.000 0.752 77 L CB -0.147 41.814 42.059 -0.163 0.000 0.899 77 L HN 0.759 nan 8.230 nan 0.000 0.433 78 A N -0.262 122.560 122.820 0.002 0.000 1.930 78 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 78 A C 2.426 180.057 177.584 0.077 0.000 1.175 78 A CA 1.415 53.490 52.037 0.063 0.000 0.627 78 A CB -0.832 18.212 19.000 0.074 0.000 0.815 78 A HN 0.572 nan 8.150 nan 0.000 0.443 79 A N 0.066 122.906 122.820 0.034 0.000 1.930 79 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 79 A C 1.958 179.516 177.584 -0.043 0.000 1.175 79 A CA 1.518 53.566 52.037 0.018 0.000 0.627 79 A CB -0.547 18.442 19.000 -0.018 0.000 0.815 79 A HN 0.573 nan 8.150 nan 0.000 0.443 80 N N -0.666 117.991 118.700 -0.072 0.000 2.331 80 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 80 N C 1.287 176.791 175.510 -0.009 0.000 1.019 80 N CA 1.362 54.345 53.050 -0.111 0.000 0.881 80 N CB -0.173 38.233 38.487 -0.135 0.000 0.972 80 N HN 0.498 nan 8.380 nan 0.000 0.435 81 C N -0.257 119.103 119.300 0.101 0.000 2.780 81 C HA 0.323 4.783 4.460 -0.000 0.000 0.267 81 C C 2.197 177.450 174.990 0.438 0.000 1.266 81 C CA -0.175 59.000 59.018 0.262 0.000 1.709 81 C CB -0.581 27.279 27.740 0.199 0.000 1.975 81 C HN 0.314 nan 8.230 nan 0.000 0.582 82 L N -0.691 120.723 121.223 0.319 0.000 3.147 82 L HA 0.231 4.571 4.340 -0.000 0.000 0.166 82 L C 1.722 178.741 176.870 0.249 0.000 1.146 82 L CA 0.246 55.329 54.840 0.405 0.000 0.858 82 L CB -0.889 41.392 42.059 0.370 0.000 1.500 82 L HN -0.086 nan 8.230 nan 0.000 0.547 83 D N 1.417 121.928 120.400 0.186 0.000 2.126 83 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 83 D C 1.901 178.140 176.300 -0.103 0.000 1.001 83 D CA 1.880 55.889 54.000 0.016 0.000 0.841 83 D CB -0.284 40.562 40.800 0.078 0.000 0.949 83 D HN 0.311 nan 8.370 nan 0.000 0.446 84 R N -0.103 120.284 120.500 -0.188 0.000 2.328 84 R HA -0.061 4.279 4.340 -0.000 0.000 0.207 84 R C 0.998 177.089 176.300 -0.349 0.000 1.056 84 R CA 1.092 57.024 56.100 -0.280 0.000 1.016 84 R CB -0.338 29.757 30.300 -0.342 0.000 0.872 84 R HN 0.364 nan 8.270 nan 0.000 0.471 85 H N 0.263 119.261 119.070 -0.120 0.000 2.654 85 H HA 0.172 4.728 4.556 -0.000 0.000 0.264 85 H C 1.935 177.154 175.328 -0.183 0.000 0.954 85 H CA 0.244 56.151 56.048 -0.236 0.000 1.199 85 H CB 0.317 29.748 29.762 -0.552 0.000 1.446 85 H HN 0.161 nan 8.280 nan 0.000 0.516 86 L N 0.502 121.707 121.223 -0.030 0.000 2.012 86 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 86 L C 2.692 179.541 176.870 -0.035 0.000 1.073 86 L CA 1.518 56.333 54.840 -0.042 0.000 0.748 86 L CB -0.433 41.543 42.059 -0.139 0.000 0.891 86 L HN 0.203 nan 8.230 nan 0.000 0.431 87 Q N -0.092 119.680 119.800 -0.046 0.000 2.112 87 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 87 Q C 2.261 178.253 176.000 -0.015 0.000 0.987 87 Q CA 2.809 58.594 55.803 -0.030 0.000 0.858 87 Q CB 0.035 28.753 28.738 -0.034 0.000 0.905 87 Q HN 0.589 nan 8.270 nan 0.000 0.420 88 E N -0.406 119.786 120.200 -0.013 0.000 2.244 88 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 88 E C 0.542 177.142 176.600 -0.001 0.000 0.939 88 E CA 0.902 57.301 56.400 -0.003 0.000 0.884 88 E CB -0.001 29.701 29.700 0.002 0.000 0.850 88 E HN 0.544 nan 8.360 nan 0.000 0.481 89 N N -0.330 118.359 118.700 -0.019 0.000 2.480 89 N HA 0.334 5.074 4.740 -0.000 0.000 0.281 89 N C 1.224 176.742 175.510 0.014 0.000 1.381 89 N CA 0.362 53.398 53.050 -0.024 0.000 0.903 89 N CB 1.160 39.583 38.487 -0.106 0.000 1.274 89 N HN 0.279 nan 8.380 nan 0.000 0.505 90 G N 0.311 109.136 108.800 0.042 0.000 2.422 90 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 90 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 90 G C 1.110 176.087 174.900 0.129 0.000 1.146 90 G CA 0.716 45.871 45.100 0.092 0.000 0.769 90 G HN 0.259 nan 8.290 nan 0.000 0.547 91 D N -0.196 120.261 120.400 0.095 0.000 2.317 91 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 91 D C 1.451 177.826 176.300 0.125 0.000 0.966 91 D CA -0.021 54.037 54.000 0.096 0.000 0.876 91 D CB 0.150 40.989 40.800 0.066 0.000 0.927 91 D HN 0.270 nan 8.370 nan 0.000 0.519 92 R N 1.165 121.756 120.500 0.152 0.000 2.679 92 R HA 0.032 4.372 4.340 -0.000 0.000 0.268 92 R C -0.375 176.078 176.300 0.255 0.000 1.044 92 R CA 0.235 56.448 56.100 0.189 0.000 1.105 92 R CB 0.454 30.859 30.300 0.174 0.000 0.989 92 R HN -0.226 nan 8.270 nan 0.000 0.447 93 T N 3.774 118.448 114.554 0.200 0.000 2.799 93 T HA 0.172 4.522 4.350 -0.000 0.000 0.296 93 T C 0.845 175.598 174.700 0.087 0.000 0.947 93 T CA 0.151 62.337 62.100 0.143 0.000 1.141 93 T CB 1.427 70.389 68.868 0.157 0.000 0.891 93 T HN 0.741 nan 8.240 nan 0.000 0.533 94 A N 4.398 127.130 122.820 -0.148 0.000 1.901 94 A HA 0.415 4.735 4.320 -0.000 0.000 0.210 94 A C 0.707 178.114 177.584 -0.295 0.000 1.208 94 A CA 0.457 52.157 52.037 -0.561 0.000 0.644 94 A CB 0.195 18.485 19.000 -1.184 0.000 0.863 94 A HN 0.752 nan 8.150 nan 0.000 0.454 95 I N 0.401 120.848 120.570 -0.206 0.000 2.499 95 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 95 I C -1.357 174.667 176.117 -0.155 0.000 1.048 95 I CA -0.319 60.891 61.300 -0.149 0.000 1.062 95 I CB 2.174 40.094 38.000 -0.133 0.000 1.238 95 I HN 0.079 nan 8.210 nan 0.000 0.426 96 I N 5.246 125.682 120.570 -0.224 0.000 2.307 96 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 96 I C -0.992 174.939 176.117 -0.311 0.000 1.021 96 I CA -0.321 60.713 61.300 -0.444 0.000 1.224 96 I CB 0.936 38.541 38.000 -0.660 0.000 1.376 96 I HN 0.564 nan 8.210 nan 0.000 0.470 97 W N 7.903 128.979 121.300 -0.374 0.000 2.361 97 W HA 0.393 5.053 4.660 -0.000 0.000 0.309 97 W C -0.209 176.191 176.519 -0.197 0.000 1.122 97 W CA -0.611 56.591 57.345 -0.238 0.000 1.208 97 W CB 1.061 30.424 29.460 -0.162 0.000 1.246 97 W HN 0.347 nan 8.180 nan 0.000 0.490 98 E N 4.506 124.213 120.200 -0.821 0.000 2.145 98 E HA 0.510 4.860 4.350 -0.000 0.000 0.262 98 E C 0.271 176.299 176.600 -0.954 0.000 0.883 98 E CA -0.584 55.439 56.400 -0.629 0.000 0.748 98 E CB 0.866 30.409 29.700 -0.263 0.000 1.140 98 E HN 0.536 nan 8.360 nan 0.000 0.417 99 G N 2.968 111.052 108.800 -1.193 0.000 2.636 99 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.246 99 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.246 99 G C 0.591 175.311 174.900 -0.299 0.000 1.216 99 G CA -0.098 44.401 45.100 -1.002 0.000 0.854 99 G HN 0.745 nan 8.290 nan 0.000 0.572 100 D N -1.036 119.240 120.400 -0.207 0.000 2.190 100 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 100 D C 0.471 176.909 176.300 0.229 0.000 0.992 100 D CA 1.096 55.066 54.000 -0.050 0.000 0.854 100 D CB 0.226 40.961 40.800 -0.109 0.000 0.936 100 D HN 0.293 nan 8.370 nan 0.000 0.462 101 D N -1.057 119.426 120.400 0.139 0.000 2.303 101 D HA 0.046 4.686 4.640 -0.000 0.000 0.236 101 D C 0.712 177.050 176.300 0.063 0.000 1.068 101 D CA -0.056 54.047 54.000 0.172 0.000 0.830 101 D CB 1.644 42.535 40.800 0.151 0.000 1.109 101 D HN -0.100 nan 8.370 nan 0.000 0.496 102 T N 1.841 116.428 114.554 0.055 0.000 2.822 102 T HA -0.203 4.147 4.350 -0.000 0.000 0.270 102 T C 1.816 176.510 174.700 -0.010 0.000 1.064 102 T CA 2.352 64.452 62.100 0.001 0.000 1.131 102 T CB -0.010 68.841 68.868 -0.027 0.000 0.858 102 T HN 0.504 nan 8.240 nan 0.000 0.483 103 S N -0.038 115.667 115.700 0.009 0.000 2.474 103 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 103 S C 0.797 175.417 174.600 0.033 0.000 0.997 103 S CA 0.215 58.425 58.200 0.017 0.000 0.949 103 S CB -0.106 63.109 63.200 0.025 0.000 0.766 103 S HN 0.441 nan 8.310 nan 0.000 0.517 104 Q N 2.105 121.918 119.800 0.022 0.000 2.340 104 Q HA 0.650 4.990 4.340 -0.000 0.000 0.259 104 Q C -0.269 175.701 176.000 -0.049 0.000 0.964 104 Q CA -0.173 55.660 55.803 0.051 0.000 0.900 104 Q CB 1.460 30.256 28.738 0.097 0.000 1.228 104 Q HN 0.578 nan 8.270 nan 0.000 0.449 105 S N 1.525 117.277 115.700 0.088 0.000 2.688 105 S HA 0.857 5.327 4.470 -0.000 0.000 0.275 105 S C -1.202 173.574 174.600 0.294 0.000 1.175 105 S CA -0.833 57.414 58.200 0.078 0.000 0.818 105 S CB 2.861 66.120 63.200 0.097 0.000 1.157 105 S HN 0.457 nan 8.310 nan 0.000 0.482 106 K N 0.022 120.588 120.400 0.276 0.000 2.589 106 K HA 0.459 4.779 4.320 -0.000 0.000 0.265 106 K C -2.490 174.193 176.600 0.138 0.000 0.935 106 K CA -0.440 56.014 56.287 0.280 0.000 0.850 106 K CB 1.200 33.882 32.500 0.302 0.000 1.372 106 K HN 0.872 nan 8.250 nan 0.000 0.420 107 H N 3.021 122.126 119.070 0.059 0.000 2.638 107 H HA 0.435 4.991 4.556 -0.000 0.000 0.317 107 H C -0.732 174.603 175.328 0.012 0.000 1.006 107 H CA -0.340 55.721 56.048 0.022 0.000 1.222 107 H CB 0.798 30.576 29.762 0.027 0.000 1.419 107 H HN 0.328 nan 8.280 nan 0.000 0.489 108 I N 2.862 123.461 120.570 0.047 0.000 2.330 108 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 108 I C 0.411 176.520 176.117 -0.014 0.000 1.001 108 I CA -0.654 60.649 61.300 0.006 0.000 1.193 108 I CB 1.050 39.017 38.000 -0.054 0.000 1.345 108 I HN 0.561 nan 8.210 nan 0.000 0.461 109 S N 4.705 120.424 115.700 0.032 0.000 2.614 109 S HA 0.210 4.680 4.470 -0.000 0.000 0.265 109 S C 0.994 175.616 174.600 0.037 0.000 1.303 109 S CA -0.217 58.021 58.200 0.064 0.000 1.000 109 S CB 0.711 63.975 63.200 0.107 0.000 0.935 109 S HN 0.521 nan 8.310 nan 0.000 0.551 110 Y N 0.731 121.066 120.300 0.057 0.000 2.207 110 Y HA -0.090 4.460 4.550 -0.000 0.000 0.287 110 Y C 2.911 178.871 175.900 0.101 0.000 1.156 110 Y CA 2.025 60.169 58.100 0.074 0.000 1.182 110 Y CB -0.250 38.253 38.460 0.071 0.000 0.979 110 Y HN 0.692 nan 8.280 nan 0.000 0.521 111 R N 0.508 121.141 120.500 0.221 0.000 2.075 111 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 111 R C 1.951 178.352 176.300 0.168 0.000 1.126 111 R CA 1.868 58.065 56.100 0.162 0.000 0.963 111 R CB -0.110 30.255 30.300 0.107 0.000 0.858 111 R HN 0.425 nan 8.270 nan 0.000 0.435 112 E N 0.326 120.597 120.200 0.118 0.000 2.051 112 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 112 E C 1.979 178.626 176.600 0.079 0.000 0.991 112 E CA 1.183 57.635 56.400 0.086 0.000 0.799 112 E CB -0.190 29.542 29.700 0.054 0.000 0.748 112 E HN 0.172 nan 8.360 nan 0.000 0.449 113 L N 1.334 122.589 121.223 0.053 0.000 2.042 113 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 113 L C 2.424 179.345 176.870 0.085 0.000 1.076 113 L CA 1.905 56.759 54.840 0.023 0.000 0.749 113 L CB -0.670 41.351 42.059 -0.063 0.000 0.893 113 L HN 0.272 nan 8.230 nan 0.000 0.432 114 H N -0.135 118.971 119.070 0.061 0.000 2.353 114 H HA -0.224 4.332 4.556 -0.000 0.000 0.300 114 H C 2.406 177.778 175.328 0.074 0.000 1.090 114 H CA 2.091 58.191 56.048 0.086 0.000 1.327 114 H CB 0.116 29.948 29.762 0.115 0.000 1.383 114 H HN 0.362 nan 8.280 nan 0.000 0.508 115 R N 0.249 120.829 120.500 0.133 0.000 2.073 115 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 115 R C 1.997 178.298 176.300 0.003 0.000 1.134 115 R CA 1.931 58.069 56.100 0.064 0.000 0.952 115 R CB -0.075 30.293 30.300 0.112 0.000 0.850 115 R HN 0.298 nan 8.270 nan 0.000 0.433 116 D N -0.235 120.183 120.400 0.030 0.000 2.144 116 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 116 D C 1.909 178.230 176.300 0.036 0.000 0.984 116 D CA 1.133 55.159 54.000 0.044 0.000 0.834 116 D CB -0.049 40.791 40.800 0.066 0.000 0.955 116 D HN 0.110 nan 8.370 nan 0.000 0.465 117 V N 0.481 120.395 119.914 -0.000 0.000 2.407 117 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 117 V C 2.647 178.702 176.094 -0.065 0.000 1.055 117 V CA 1.151 63.450 62.300 -0.003 0.000 1.049 117 V CB -0.354 31.458 31.823 -0.018 0.000 0.662 117 V HN 0.293 nan 8.190 nan 0.000 0.455 118 C N -0.477 118.736 119.300 -0.145 0.000 2.446 118 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 118 C C 2.878 177.807 174.990 -0.101 0.000 1.275 118 C CA 0.714 59.646 59.018 -0.144 0.000 1.727 118 C CB -1.094 26.550 27.740 -0.161 0.000 2.010 118 C HN 0.495 nan 8.230 nan 0.000 0.486 119 R N -0.563 119.903 120.500 -0.056 0.000 2.075 119 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 119 R C 2.057 178.304 176.300 -0.087 0.000 1.126 119 R CA 1.384 57.452 56.100 -0.053 0.000 0.963 119 R CB -0.538 29.751 30.300 -0.019 0.000 0.858 119 R HN 0.514 nan 8.270 nan 0.000 0.435 120 F N 1.399 121.216 119.950 -0.223 0.000 2.259 120 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 120 F C 2.214 177.856 175.800 -0.264 0.000 1.088 120 F CA 0.706 58.523 58.000 -0.304 0.000 1.358 120 F CB -0.235 38.574 39.000 -0.318 0.000 1.040 120 F HN -0.036 nan 8.300 nan 0.000 0.505 121 A N 0.424 123.106 122.820 -0.231 0.000 1.883 121 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 121 A C 2.154 179.488 177.584 -0.418 0.000 1.186 121 A CA 1.994 53.803 52.037 -0.381 0.000 0.624 121 A CB -0.901 17.755 19.000 -0.573 0.000 0.822 121 A HN 0.441 nan 8.150 nan 0.000 0.444 122 N N -0.459 118.042 118.700 -0.330 0.000 2.244 122 N HA -0.093 4.646 4.740 -0.000 0.000 0.183 122 N C 1.690 177.039 175.510 -0.269 0.000 1.016 122 N CA 1.721 54.637 53.050 -0.224 0.000 0.866 122 N CB -0.616 37.800 38.487 -0.120 0.000 0.980 122 N HN 0.502 nan 8.380 nan 0.000 0.430 123 T N 1.956 116.282 114.554 -0.379 0.000 2.746 123 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 123 T C 2.155 176.557 174.700 -0.497 0.000 1.039 123 T CA 0.665 62.491 62.100 -0.457 0.000 1.142 123 T CB -0.135 68.341 68.868 -0.654 0.000 0.866 123 T HN 0.146 nan 8.240 nan 0.000 0.444 124 L N 0.293 121.156 121.223 -0.599 0.000 2.027 124 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 124 L C 2.493 179.203 176.870 -0.267 0.000 1.074 124 L CA 1.118 55.688 54.840 -0.449 0.000 0.745 124 L CB -0.591 41.219 42.059 -0.415 0.000 0.898 124 L HN 0.238 nan 8.230 nan 0.000 0.433 125 L N -0.376 120.708 121.223 -0.231 0.000 2.127 125 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 125 L C 2.012 178.807 176.870 -0.126 0.000 1.089 125 L CA 1.010 55.765 54.840 -0.141 0.000 0.757 125 L CB -0.529 41.467 42.059 -0.104 0.000 0.899 125 L HN 0.292 nan 8.230 nan 0.000 0.434 126 D N -0.309 119.995 120.400 -0.160 0.000 2.277 126 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 126 D C 2.233 178.444 176.300 -0.148 0.000 0.962 126 D CA 0.850 54.768 54.000 -0.137 0.000 0.865 126 D CB 0.107 40.821 40.800 -0.142 0.000 0.939 126 D HN 0.291 nan 8.370 nan 0.000 0.510 127 L N -0.719 120.389 121.223 -0.191 0.000 2.492 127 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 127 L C 1.494 178.304 176.870 -0.100 0.000 1.132 127 L CA 0.641 55.359 54.840 -0.204 0.000 0.850 127 L CB 0.092 41.992 42.059 -0.266 0.000 0.966 127 L HN 0.170 nan 8.230 nan 0.000 0.454 128 G N -0.320 108.431 108.800 -0.083 0.000 2.184 128 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 128 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 128 G C 0.202 175.079 174.900 -0.037 0.000 0.995 128 G CA -0.653 44.422 45.100 -0.041 0.000 0.651 128 G HN 0.056 nan 8.290 nan 0.000 0.511 129 I N 1.364 121.898 120.570 -0.061 0.000 2.556 129 I HA 0.379 4.549 4.170 -0.000 0.000 0.284 129 I C 0.710 176.802 176.117 -0.042 0.000 1.114 129 I CA 0.472 61.742 61.300 -0.049 0.000 1.418 129 I CB 0.753 38.709 38.000 -0.074 0.000 1.394 129 I HN 0.157 nan 8.210 nan 0.000 0.552 130 K N 4.217 124.605 120.400 -0.020 0.000 2.444 130 K HA 0.361 4.681 4.320 -0.000 0.000 0.252 130 K C -0.458 176.142 176.600 0.000 0.000 0.993 130 K CA -1.158 55.123 56.287 -0.010 0.000 0.847 130 K CB 2.177 34.675 32.500 -0.004 0.000 1.340 130 K HN 0.358 nan 8.250 nan 0.000 0.446 131 K N 0.449 120.852 120.400 0.006 0.000 2.530 131 K HA -0.088 4.232 4.320 -0.000 0.000 0.280 131 K C 0.645 177.254 176.600 0.015 0.000 1.004 131 K CA 1.736 58.031 56.287 0.012 0.000 1.071 131 K CB -0.213 32.296 32.500 0.015 0.000 0.876 131 K HN 0.779 nan 8.250 nan 0.000 0.487 132 G N 3.238 112.048 108.800 0.017 0.000 2.284 132 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.230 132 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.230 132 G C -0.361 174.556 174.900 0.029 0.000 1.021 132 G CA 0.121 45.236 45.100 0.025 0.000 0.619 132 G HN 0.733 nan 8.290 nan 0.000 0.510 133 D N 0.947 121.359 120.400 0.020 0.000 2.399 133 D HA 0.433 5.073 4.640 -0.000 0.000 0.241 133 D C 0.685 176.990 176.300 0.008 0.000 1.133 133 D CA 0.093 54.104 54.000 0.018 0.000 0.890 133 D CB 1.857 42.664 40.800 0.012 0.000 1.201 133 D HN 0.201 nan 8.370 nan 0.000 0.432 134 V N 2.122 122.032 119.914 -0.007 0.000 2.509 134 V HA 0.232 4.352 4.120 -0.000 0.000 0.284 134 V C 0.368 176.467 176.094 0.008 0.000 1.047 134 V CA -0.549 61.732 62.300 -0.032 0.000 0.952 134 V CB 1.754 33.509 31.823 -0.114 0.000 0.988 134 V HN 0.223 nan 8.190 nan 0.000 0.469 135 V N 4.219 124.161 119.914 0.047 0.000 2.443 135 V HA 0.629 4.749 4.120 -0.000 0.000 0.293 135 V C 0.354 176.503 176.094 0.091 0.000 1.021 135 V CA -0.690 61.652 62.300 0.071 0.000 0.848 135 V CB 1.615 33.499 31.823 0.102 0.000 0.998 135 V HN 0.989 nan 8.190 nan 0.000 0.424 136 A N 6.599 129.454 122.820 0.058 0.000 2.366 136 A HA 0.777 5.097 4.320 -0.000 0.000 0.272 136 A C -0.363 177.262 177.584 0.069 0.000 1.135 136 A CA -0.113 51.956 52.037 0.053 0.000 0.804 136 A CB 0.097 19.097 19.000 -0.001 0.000 1.064 136 A HN 0.789 nan 8.150 nan 0.000 0.499 137 I N 2.579 123.193 120.570 0.073 0.000 2.411 137 I HA 0.162 4.332 4.170 -0.000 0.000 0.284 137 I C -1.215 174.938 176.117 0.060 0.000 1.012 137 I CA -0.190 61.140 61.300 0.050 0.000 1.119 137 I CB 1.369 39.363 38.000 -0.010 0.000 1.261 137 I HN 0.745 nan 8.210 nan 0.000 0.448 138 Y N 8.084 128.318 120.300 -0.109 0.000 2.836 138 Y HA 0.496 5.046 4.550 -0.000 0.000 0.359 138 Y C -0.644 175.154 175.900 -0.169 0.000 1.060 138 Y CA -0.793 57.214 58.100 -0.156 0.000 1.161 138 Y CB 0.330 38.709 38.460 -0.135 0.000 1.225 138 Y HN 0.390 nan 8.280 nan 0.000 0.621 139 M N 4.853 124.298 119.600 -0.257 0.000 2.578 139 M HA 0.502 4.982 4.480 -0.000 0.000 0.321 139 M C -2.416 173.668 176.300 -0.359 0.000 1.182 139 M CA -1.987 53.131 55.300 -0.302 0.000 0.965 139 M CB 1.709 34.157 32.600 -0.253 0.000 1.694 139 M HN 0.291 nan 8.290 nan 0.000 0.461 140 P HA 0.332 nan 4.420 nan 0.000 0.284 140 P C -0.638 176.543 177.300 -0.198 0.000 1.292 140 P CA -0.498 62.435 63.100 -0.280 0.000 0.800 140 P CB 0.740 32.294 31.700 -0.244 0.000 1.188 141 M N 1.098 120.630 119.600 -0.113 0.000 3.254 141 M HA 0.152 4.632 4.480 -0.000 0.000 0.257 141 M C -0.084 176.271 176.300 0.092 0.000 1.490 141 M CA -0.056 55.234 55.300 -0.017 0.000 1.620 141 M CB -1.412 31.206 32.600 0.030 0.000 1.157 141 M HN 0.132 nan 8.290 nan 0.000 0.541 142 V N 0.638 120.483 119.914 -0.116 0.000 2.962 142 V HA 0.563 4.683 4.120 -0.000 0.000 0.313 142 V C -2.389 173.418 176.094 -0.478 0.000 1.099 142 V CA -1.832 60.237 62.300 -0.385 0.000 0.971 142 V CB 1.673 33.186 31.823 -0.516 0.000 1.028 142 V HN 0.211 nan 8.190 nan 0.000 0.430 143 P HA -0.174 nan 4.420 nan 0.000 0.217 143 P C 1.289 178.337 177.300 -0.420 0.000 1.158 143 P CA 1.999 64.825 63.100 -0.457 0.000 0.887 143 P CB 0.218 31.621 31.700 -0.495 0.000 0.792 144 E N -0.455 119.398 120.200 -0.577 0.000 2.130 144 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 144 E C 2.109 178.383 176.600 -0.543 0.000 0.998 144 E CA 1.609 57.569 56.400 -0.733 0.000 0.806 144 E CB -1.255 27.623 29.700 -1.370 0.000 0.738 144 E HN 0.201 nan 8.360 nan 0.000 0.459 145 A N 1.024 123.572 122.820 -0.453 0.000 1.892 145 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 145 A C 2.397 179.808 177.584 -0.289 0.000 1.188 145 A CA 2.228 54.063 52.037 -0.336 0.000 0.631 145 A CB -0.976 17.847 19.000 -0.295 0.000 0.822 145 A HN 0.318 nan 8.150 nan 0.000 0.447 146 A N -0.742 121.915 122.820 -0.271 0.000 1.898 146 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 146 A C 2.232 179.720 177.584 -0.160 0.000 1.181 146 A CA 1.701 53.597 52.037 -0.235 0.000 0.620 146 A CB -0.928 17.949 19.000 -0.206 0.000 0.819 146 A HN 0.413 nan 8.150 nan 0.000 0.442 147 V N 0.014 119.843 119.914 -0.142 0.000 2.287 147 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 147 V C 3.063 179.138 176.094 -0.031 0.000 1.053 147 V CA 2.026 64.294 62.300 -0.053 0.000 1.027 147 V CB -1.323 30.506 31.823 0.011 0.000 0.646 147 V HN 0.613 nan 8.190 nan 0.000 0.447 148 A N -0.794 121.968 122.820 -0.095 0.000 1.902 148 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 148 A C 2.243 179.857 177.584 0.049 0.000 1.181 148 A CA 2.342 54.365 52.037 -0.023 0.000 0.623 148 A CB -0.468 18.521 19.000 -0.018 0.000 0.818 148 A HN 0.506 nan 8.150 nan 0.000 0.443 149 M N -0.806 118.730 119.600 -0.107 0.000 2.064 149 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 149 M C 2.136 178.492 176.300 0.092 0.000 1.073 149 M CA 1.494 56.683 55.300 -0.184 0.000 1.124 149 M CB -0.480 31.862 32.600 -0.430 0.000 1.326 149 M HN 0.364 nan 8.290 nan 0.000 0.410 150 L N -0.282 121.008 121.223 0.112 0.000 2.079 150 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 150 L C 2.766 179.710 176.870 0.124 0.000 1.081 150 L CA 1.149 56.089 54.840 0.167 0.000 0.752 150 L CB -0.932 41.200 42.059 0.121 0.000 0.896 150 L HN 0.330 nan 8.230 nan 0.000 0.433 151 A N -0.823 122.073 122.820 0.126 0.000 1.902 151 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 151 A C 2.428 180.062 177.584 0.083 0.000 1.181 151 A CA 1.829 53.933 52.037 0.113 0.000 0.623 151 A CB -1.155 18.023 19.000 0.297 0.000 0.818 151 A HN 0.521 nan 8.150 nan 0.000 0.443 152 C N -1.019 118.369 119.300 0.147 0.000 2.413 152 C HA 0.013 4.473 4.460 -0.000 0.000 0.276 152 C C 3.332 178.397 174.990 0.124 0.000 1.236 152 C CA 0.927 60.029 59.018 0.141 0.000 1.735 152 C CB -1.362 26.518 27.740 0.234 0.000 2.031 152 C HN 0.704 nan 8.230 nan 0.000 0.474 153 A N 0.051 122.970 122.820 0.165 0.000 1.972 153 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 153 A C 2.246 179.863 177.584 0.055 0.000 1.169 153 A CA 1.673 53.773 52.037 0.104 0.000 0.635 153 A CB -0.650 18.402 19.000 0.087 0.000 0.810 153 A HN 0.670 nan 8.150 nan 0.000 0.446 154 R N 0.162 120.695 120.500 0.055 0.000 2.120 154 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 154 R C 1.622 177.964 176.300 0.070 0.000 1.123 154 R CA 1.733 57.866 56.100 0.054 0.000 0.975 154 R CB -0.326 29.989 30.300 0.025 0.000 0.866 154 R HN 0.742 nan 8.270 nan 0.000 0.446 155 I N -4.191 116.396 120.570 0.029 0.000 3.976 155 I HA 0.416 4.586 4.170 -0.000 0.000 0.337 155 I C 0.692 176.827 176.117 0.031 0.000 1.359 155 I CA 0.397 61.718 61.300 0.034 0.000 1.098 155 I CB 0.887 38.871 38.000 -0.026 0.000 1.027 155 I HN 0.196 nan 8.210 nan 0.000 0.394 156 G N 1.772 110.591 108.800 0.031 0.000 2.148 156 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 156 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 156 G C 0.369 175.283 174.900 0.022 0.000 0.981 156 G CA 0.067 45.181 45.100 0.023 0.000 0.670 156 G HN 0.932 nan 8.290 nan 0.000 0.528 157 A N -0.310 122.529 122.820 0.032 0.000 2.363 157 A HA 0.693 5.013 4.320 -0.000 0.000 0.270 157 A C 0.578 178.192 177.584 0.050 0.000 1.121 157 A CA 0.042 52.100 52.037 0.035 0.000 0.800 157 A CB 1.121 20.143 19.000 0.036 0.000 1.052 157 A HN 1.117 nan 8.150 nan 0.000 0.493 158 V N 4.444 124.372 119.914 0.024 0.000 2.432 158 V HA 0.236 4.355 4.120 -0.000 0.000 0.271 158 V C 0.226 176.349 176.094 0.048 0.000 1.046 158 V CA -0.221 62.073 62.300 -0.010 0.000 0.945 158 V CB 0.098 31.883 31.823 -0.063 0.000 0.992 158 V HN 1.035 nan 8.190 nan 0.000 0.471 159 H N 2.099 121.240 119.070 0.119 0.000 2.473 159 H HA 0.625 5.181 4.556 -0.000 0.000 0.327 159 H C -0.161 175.259 175.328 0.153 0.000 1.105 159 H CA -0.725 55.398 56.048 0.124 0.000 1.280 159 H CB 1.427 31.270 29.762 0.134 0.000 1.450 159 H HN 0.454 nan 8.280 nan 0.000 0.492 160 S N 4.034 119.906 115.700 0.287 0.000 2.426 160 S HA 0.314 4.784 4.470 -0.000 0.000 0.236 160 S C -0.817 173.928 174.600 0.241 0.000 1.368 160 S CA -0.780 57.567 58.200 0.245 0.000 1.154 160 S CB -0.606 62.687 63.200 0.155 0.000 1.037 160 S HN 0.549 nan 8.310 nan 0.000 0.481 161 V N 6.330 126.433 119.914 0.315 0.000 2.572 161 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 161 V C 0.184 176.309 176.094 0.052 0.000 1.039 161 V CA 0.045 62.436 62.300 0.153 0.000 1.055 161 V CB 0.745 32.674 31.823 0.176 0.000 0.969 161 V HN 0.713 nan 8.190 nan 0.000 0.482 162 I N 5.456 126.005 120.570 -0.035 0.000 2.382 162 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 162 I C -0.130 175.845 176.117 -0.237 0.000 1.002 162 I CA -0.570 60.612 61.300 -0.197 0.000 1.135 162 I CB 1.298 39.223 38.000 -0.125 0.000 1.288 162 I HN 0.509 nan 8.210 nan 0.000 0.448 163 F N 5.152 124.690 119.950 -0.685 0.000 2.635 163 F HA 0.068 4.595 4.527 -0.000 0.000 0.379 163 F C 1.518 177.107 175.800 -0.352 0.000 1.094 163 F CA 0.226 57.822 58.000 -0.675 0.000 1.300 163 F CB 0.965 39.338 39.000 -1.045 0.000 1.035 163 F HN 0.599 nan 8.300 nan 0.000 0.581 164 G N 3.627 111.703 108.800 -1.205 0.000 2.498 164 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 164 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 164 G C 1.461 175.915 174.900 -0.743 0.000 1.119 164 G CA 0.472 44.906 45.100 -1.110 0.000 0.766 164 G HN 1.014 nan 8.290 nan 0.000 0.552 165 G N -0.298 107.914 108.800 -0.978 0.000 2.920 165 G HA2 0.189 4.149 3.960 -0.000 0.000 0.208 165 G HA3 0.189 4.149 3.960 -0.000 0.000 0.208 165 G C 0.045 175.090 174.900 0.241 0.000 1.159 165 G CA -0.561 44.434 45.100 -0.175 0.000 0.784 165 G HN 0.187 nan 8.290 nan 0.000 0.535 166 F N 2.292 122.277 119.950 0.059 0.000 2.443 166 F HA 0.327 4.854 4.527 -0.000 0.000 0.353 166 F C 1.410 177.246 175.800 0.060 0.000 1.101 166 F CA -1.429 56.638 58.000 0.111 0.000 1.226 166 F CB 1.105 40.184 39.000 0.132 0.000 1.140 166 F HN 0.032 nan 8.300 nan 0.000 0.557 167 S N 4.141 119.882 115.700 0.069 0.000 2.608 167 S HA 0.247 4.717 4.470 -0.000 0.000 0.261 167 S C -1.931 172.647 174.600 -0.035 0.000 1.314 167 S CA -1.009 57.187 58.200 -0.006 0.000 0.992 167 S CB 0.986 64.129 63.200 -0.096 0.000 0.935 167 S HN 0.381 nan 8.310 nan 0.000 0.564 168 P HA -0.119 nan 4.420 nan 0.000 0.216 168 P C 1.477 178.701 177.300 -0.126 0.000 1.150 168 P CA 1.403 64.429 63.100 -0.123 0.000 0.843 168 P CB 0.026 31.664 31.700 -0.103 0.000 0.787 169 E N 0.004 120.129 120.200 -0.125 0.000 2.077 169 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 169 E C 1.926 178.462 176.600 -0.106 0.000 0.989 169 E CA 1.670 57.992 56.400 -0.129 0.000 0.800 169 E CB -1.114 28.482 29.700 -0.173 0.000 0.746 169 E HN 0.073 nan 8.360 nan 0.000 0.452 170 A N -0.077 122.688 122.820 -0.090 0.000 1.930 170 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 170 A C 2.485 180.112 177.584 0.071 0.000 1.175 170 A CA 1.374 53.395 52.037 -0.027 0.000 0.627 170 A CB -0.627 18.291 19.000 -0.136 0.000 0.815 170 A HN 0.195 nan 8.150 nan 0.000 0.443 171 V N -0.084 119.831 119.914 0.000 0.000 2.407 171 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 171 V C 3.033 179.029 176.094 -0.163 0.000 1.055 171 V CA 1.908 64.121 62.300 -0.145 0.000 1.049 171 V CB -1.108 30.475 31.823 -0.400 0.000 0.662 171 V HN 0.610 nan 8.190 nan 0.000 0.455 172 A N 0.447 123.184 122.820 -0.140 0.000 1.898 172 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 172 A C 2.441 179.959 177.584 -0.110 0.000 1.181 172 A CA 1.819 53.782 52.037 -0.123 0.000 0.620 172 A CB -1.235 17.703 19.000 -0.105 0.000 0.819 172 A HN 0.519 nan 8.150 nan 0.000 0.442 173 G N -0.885 107.855 108.800 -0.101 0.000 2.442 173 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 173 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 173 G C 1.571 176.363 174.900 -0.181 0.000 1.141 173 G CA 1.368 46.409 45.100 -0.098 0.000 0.763 173 G HN 0.523 nan 8.290 nan 0.000 0.554 174 C N 0.209 119.337 119.300 -0.287 0.000 2.453 174 C HA 0.107 4.567 4.460 -0.000 0.000 0.277 174 C C 2.836 177.646 174.990 -0.299 0.000 1.262 174 C CA 0.431 59.099 59.018 -0.584 0.000 1.718 174 C CB -0.959 26.447 27.740 -0.556 0.000 2.031 174 C HN 0.472 nan 8.230 nan 0.000 0.480 175 I N 0.852 121.316 120.570 -0.178 0.000 2.208 175 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 175 I C 2.312 178.400 176.117 -0.048 0.000 1.097 175 I CA 1.726 62.967 61.300 -0.098 0.000 1.363 175 I CB -0.439 37.499 38.000 -0.102 0.000 1.051 175 I HN 0.332 nan 8.210 nan 0.000 0.413 176 I N 0.745 121.286 120.570 -0.049 0.000 2.163 176 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 176 I C 2.239 178.389 176.117 0.055 0.000 1.085 176 I CA 1.936 63.233 61.300 -0.004 0.000 1.347 176 I CB -0.475 37.517 38.000 -0.013 0.000 1.044 176 I HN 0.275 nan 8.210 nan 0.000 0.408 177 D N 0.420 120.863 120.400 0.072 0.000 2.144 177 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 177 D C 2.120 178.630 176.300 0.350 0.000 0.978 177 D CA 1.529 55.657 54.000 0.213 0.000 0.833 177 D CB 0.139 41.105 40.800 0.276 0.000 0.961 177 D HN 0.323 nan 8.370 nan 0.000 0.470 178 S N -1.814 114.008 115.700 0.204 0.000 2.535 178 S HA 0.134 4.604 4.470 -0.000 0.000 0.214 178 S C 0.792 175.430 174.600 0.063 0.000 0.980 178 S CA 0.242 58.465 58.200 0.039 0.000 0.907 178 S CB 0.212 63.335 63.200 -0.127 0.000 0.790 178 S HN 0.053 nan 8.310 nan 0.000 0.510 179 S N 1.398 117.151 115.700 0.088 0.000 3.682 179 S HA -0.139 4.331 4.470 -0.000 0.000 0.354 179 S C 0.172 174.784 174.600 0.020 0.000 1.034 179 S CA 0.512 58.748 58.200 0.062 0.000 1.084 179 S CB -2.243 61.020 63.200 0.105 0.000 0.903 179 S HN 0.732 nan 8.310 nan 0.000 0.470 180 S N 0.789 116.485 115.700 -0.006 0.000 2.552 180 S HA 0.084 4.554 4.470 -0.000 0.000 0.289 180 S C 1.401 175.993 174.600 -0.012 0.000 1.304 180 S CA -0.161 58.031 58.200 -0.014 0.000 1.063 180 S CB 0.524 63.711 63.200 -0.022 0.000 0.848 180 S HN 0.503 nan 8.310 nan 0.000 0.499 181 R N 0.487 120.984 120.500 -0.004 0.000 2.362 181 R HA 0.320 4.660 4.340 -0.000 0.000 0.227 181 R C -0.560 175.740 176.300 -0.000 0.000 0.905 181 R CA -0.014 56.082 56.100 -0.006 0.000 1.067 181 R CB 0.124 30.426 30.300 0.004 0.000 1.078 181 R HN 0.420 nan 8.270 nan 0.000 0.516 182 L N -0.470 120.756 121.223 0.005 0.000 2.545 182 L HA 0.391 4.731 4.340 -0.000 0.000 0.258 182 L C -1.713 175.169 176.870 0.019 0.000 0.942 182 L CA -0.825 54.026 54.840 0.020 0.000 0.855 182 L CB 2.436 44.516 42.059 0.035 0.000 1.374 182 L HN -0.317 nan 8.230 nan 0.000 0.411 183 V N 5.219 125.141 119.914 0.014 0.000 2.540 183 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 183 V C -0.350 175.779 176.094 0.058 0.000 1.035 183 V CA -0.364 61.946 62.300 0.015 0.000 0.873 183 V CB 1.814 33.613 31.823 -0.039 0.000 0.992 183 V HN 0.599 nan 8.190 nan 0.000 0.428 184 I N 4.136 124.764 120.570 0.097 0.000 2.382 184 I HA 0.583 4.753 4.170 -0.000 0.000 0.285 184 I C 0.083 176.257 176.117 0.095 0.000 1.007 184 I CA 0.129 61.517 61.300 0.147 0.000 1.142 184 I CB 1.804 39.933 38.000 0.215 0.000 1.289 184 I HN 0.686 nan 8.210 nan 0.000 0.453 185 T N 4.164 118.765 114.554 0.078 0.000 2.696 185 T HA 0.861 5.211 4.350 -0.000 0.000 0.291 185 T C -1.462 173.237 174.700 -0.001 0.000 1.095 185 T CA -0.437 61.687 62.100 0.039 0.000 1.026 185 T CB 1.916 70.853 68.868 0.116 0.000 1.390 185 T HN 0.610 nan 8.240 nan 0.000 0.513 186 A N 0.513 123.310 122.820 -0.039 0.000 2.423 186 A HA 0.649 4.969 4.320 -0.000 0.000 0.304 186 A C 0.706 178.302 177.584 0.019 0.000 1.104 186 A CA -0.099 51.922 52.037 -0.027 0.000 0.757 186 A CB 1.132 20.062 19.000 -0.116 0.000 1.313 186 A HN 0.909 nan 8.150 nan 0.000 0.423 187 D N 0.308 120.762 120.400 0.091 0.000 2.106 187 D HA -0.097 4.543 4.640 -0.000 0.000 0.191 187 D C 0.252 176.574 176.300 0.038 0.000 0.997 187 D CA 1.997 56.062 54.000 0.109 0.000 0.834 187 D CB -0.054 40.867 40.800 0.201 0.000 0.956 187 D HN 0.674 nan 8.370 nan 0.000 0.448 188 E N -1.712 118.487 120.200 -0.002 0.000 2.412 188 E HA 0.607 4.957 4.350 -0.000 0.000 0.279 188 E C -0.710 175.834 176.600 -0.094 0.000 0.984 188 E CA -0.918 55.452 56.400 -0.049 0.000 0.788 188 E CB 2.137 31.819 29.700 -0.031 0.000 1.277 188 E HN 0.178 nan 8.360 nan 0.000 0.455 189 G N 0.109 108.828 108.800 -0.135 0.000 2.434 189 G HA2 0.547 4.507 3.960 -0.000 0.000 0.330 189 G HA3 0.547 4.507 3.960 -0.000 0.000 0.330 189 G C -0.889 173.931 174.900 -0.134 0.000 1.155 189 G CA -0.458 44.546 45.100 -0.159 0.000 0.917 189 G HN 0.189 nan 8.290 nan 0.000 0.493 190 V N 0.959 120.799 119.914 -0.122 0.000 2.378 190 V HA 0.652 4.772 4.120 -0.000 0.000 0.288 190 V C 0.072 176.056 176.094 -0.183 0.000 1.016 190 V CA -0.767 61.455 62.300 -0.130 0.000 0.840 190 V CB 1.230 33.010 31.823 -0.072 0.000 0.994 190 V HN 0.818 nan 8.190 nan 0.000 0.431 191 R N 4.337 124.691 120.500 -0.244 0.000 2.531 191 R HA 0.613 4.953 4.340 -0.000 0.000 0.293 191 R C -0.015 176.021 176.300 -0.440 0.000 1.124 191 R CA 0.224 56.151 56.100 -0.288 0.000 0.945 191 R CB 1.475 31.651 30.300 -0.206 0.000 1.195 191 R HN 1.323 nan 8.270 nan 0.000 0.433 192 A N 2.929 125.359 122.820 -0.650 0.000 2.734 192 A HA -0.111 4.209 4.320 -0.000 0.000 0.296 192 A C 1.071 177.579 177.584 -1.793 0.000 1.474 192 A CA 1.276 52.510 52.037 -1.339 0.000 0.735 192 A CB -2.126 16.438 19.000 -0.726 0.000 1.062 192 A HN 2.017 nan 8.150 nan 0.000 0.463 193 G N -1.593 106.184 108.800 -1.704 0.000 2.200 193 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 193 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 193 G C 0.221 174.892 174.900 -0.382 0.000 0.986 193 G CA 1.334 45.939 45.100 -0.825 0.000 0.677 193 G HN 1.330 nan 8.290 nan 0.000 0.532 194 R N -0.063 120.200 120.500 -0.395 0.000 2.562 194 R HA 0.558 4.898 4.340 -0.000 0.000 0.298 194 R C -0.459 175.735 176.300 -0.176 0.000 0.961 194 R CA -0.506 55.461 56.100 -0.222 0.000 0.881 194 R CB 1.620 31.798 30.300 -0.204 0.000 1.159 194 R HN 0.141 nan 8.270 nan 0.000 0.450 195 S N 2.854 118.485 115.700 -0.114 0.000 2.537 195 S HA 0.439 4.909 4.470 -0.000 0.000 0.275 195 S C 0.027 174.573 174.600 -0.091 0.000 1.272 195 S CA -0.436 57.708 58.200 -0.094 0.000 1.050 195 S CB 0.607 63.773 63.200 -0.058 0.000 0.961 195 S HN 0.358 nan 8.310 nan 0.000 0.496 196 I N 5.239 125.746 120.570 -0.104 0.000 2.406 196 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 196 I C -2.183 173.880 176.117 -0.090 0.000 0.999 196 I CA -2.654 58.584 61.300 -0.104 0.000 1.124 196 I CB 2.203 40.115 38.000 -0.146 0.000 1.289 196 I HN 0.363 nan 8.210 nan 0.000 0.441 197 P HA 0.103 nan 4.420 nan 0.000 0.268 197 P C -0.240 177.050 177.300 -0.018 0.000 1.204 197 P CA 0.150 63.236 63.100 -0.023 0.000 0.768 197 P CB 1.802 33.501 31.700 -0.002 0.000 0.842 198 L N 1.803 123.033 121.223 0.010 0.000 2.658 198 L HA 0.116 4.456 4.340 -0.000 0.000 0.201 198 L C 2.373 179.348 176.870 0.176 0.000 1.050 198 L CA 0.221 55.112 54.840 0.085 0.000 0.893 198 L CB -0.616 41.370 42.059 -0.122 0.000 1.503 198 L HN 0.224 nan 8.230 nan 0.000 0.485 199 K N 1.687 122.131 120.400 0.074 0.000 2.026 199 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 199 K C 1.976 178.582 176.600 0.010 0.000 1.048 199 K CA 1.867 58.175 56.287 0.035 0.000 0.929 199 K CB -0.141 32.373 32.500 0.024 0.000 0.713 199 K HN 0.023 nan 8.250 nan 0.000 0.439 200 K N -0.019 120.394 120.400 0.021 0.000 2.063 200 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 200 K C 1.586 178.179 176.600 -0.012 0.000 1.048 200 K CA 1.800 58.090 56.287 0.004 0.000 0.928 200 K CB -0.183 32.326 32.500 0.014 0.000 0.713 200 K HN 0.172 nan 8.250 nan 0.000 0.442 201 N N 0.447 119.155 118.700 0.013 0.000 2.166 201 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 201 N C 1.770 177.210 175.510 -0.116 0.000 1.019 201 N CA 1.137 54.172 53.050 -0.024 0.000 0.856 201 N CB -0.327 38.197 38.487 0.061 0.000 0.993 201 N HN 0.009 nan 8.380 nan 0.000 0.426 202 V N 1.719 121.563 119.914 -0.117 0.000 2.343 202 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 202 V C 1.709 177.718 176.094 -0.142 0.000 1.051 202 V CA 1.595 63.788 62.300 -0.180 0.000 1.036 202 V CB -0.463 31.285 31.823 -0.126 0.000 0.654 202 V HN 0.225 nan 8.190 nan 0.000 0.451 203 D N 0.219 120.554 120.400 -0.108 0.000 2.104 203 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 203 D C 1.896 178.141 176.300 -0.092 0.000 0.994 203 D CA 1.614 55.553 54.000 -0.102 0.000 0.830 203 D CB -0.352 40.401 40.800 -0.078 0.000 0.959 203 D HN 0.415 nan 8.370 nan 0.000 0.452 204 D N 0.341 120.692 120.400 -0.081 0.000 2.178 204 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 204 D C 1.949 178.193 176.300 -0.093 0.000 0.980 204 D CA 0.939 54.894 54.000 -0.076 0.000 0.842 204 D CB -0.191 40.570 40.800 -0.065 0.000 0.948 204 D HN 0.151 nan 8.370 nan 0.000 0.472 205 A N 0.449 123.197 122.820 -0.120 0.000 1.897 205 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 205 A C 2.189 179.703 177.584 -0.115 0.000 1.181 205 A CA 0.575 52.532 52.037 -0.133 0.000 0.620 205 A CB -0.576 18.311 19.000 -0.187 0.000 0.821 205 A HN 0.209 nan 8.150 nan 0.000 0.443 206 L N -0.805 120.348 121.223 -0.117 0.000 2.551 206 L HA -0.050 4.290 4.340 -0.000 0.000 0.228 206 L C 1.885 178.703 176.870 -0.086 0.000 1.153 206 L CA 0.708 55.486 54.840 -0.105 0.000 0.851 206 L CB -0.320 41.669 42.059 -0.118 0.000 0.959 206 L HN 0.368 nan 8.230 nan 0.000 0.451 207 K N -0.216 120.137 120.400 -0.079 0.000 2.432 207 K HA -0.035 4.285 4.320 -0.000 0.000 0.196 207 K C 0.868 177.435 176.600 -0.055 0.000 1.038 207 K CA -0.116 56.133 56.287 -0.063 0.000 0.986 207 K CB -0.075 32.392 32.500 -0.055 0.000 0.782 207 K HN 0.175 nan 8.250 nan 0.000 0.485 208 N N 2.543 121.206 118.700 -0.061 0.000 2.440 208 N HA -0.027 4.713 4.740 -0.000 0.000 0.265 208 N C -1.670 173.813 175.510 -0.045 0.000 1.239 208 N CA -1.109 51.910 53.050 -0.052 0.000 0.909 208 N CB 1.089 39.540 38.487 -0.060 0.000 1.066 208 N HN -0.035 nan 8.380 nan 0.000 0.474 209 P HA -0.138 nan 4.420 nan 0.000 0.222 209 P C 0.335 177.618 177.300 -0.028 0.000 1.142 209 P CA 1.134 64.216 63.100 -0.030 0.000 0.788 209 P CB 0.410 32.096 31.700 -0.023 0.000 0.767 210 N N -0.322 118.362 118.700 -0.028 0.000 2.446 210 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 210 N C 0.327 175.821 175.510 -0.027 0.000 1.054 210 N CA 0.327 53.364 53.050 -0.022 0.000 0.905 210 N CB 0.276 38.752 38.487 -0.018 0.000 0.973 210 N HN 0.095 nan 8.380 nan 0.000 0.448 211 V N 2.176 122.067 119.914 -0.039 0.000 2.405 211 V HA 0.086 4.206 4.120 -0.000 0.000 0.264 211 V C 1.144 177.210 176.094 -0.047 0.000 1.048 211 V CA 0.395 62.667 62.300 -0.047 0.000 0.966 211 V CB 0.869 32.653 31.823 -0.065 0.000 1.015 211 V HN 0.310 nan 8.190 nan 0.000 0.477 212 T N -1.144 113.387 114.554 -0.038 0.000 3.087 212 T HA 0.019 4.369 4.350 -0.000 0.000 0.283 212 T C 1.331 176.007 174.700 -0.040 0.000 0.956 212 T CA 0.436 62.512 62.100 -0.039 0.000 0.894 212 T CB 0.288 69.140 68.868 -0.028 0.000 1.160 212 T HN 0.618 nan 8.240 nan 0.000 0.532 213 S N 0.730 116.409 115.700 -0.035 0.000 2.492 213 S HA 0.271 4.741 4.470 -0.000 0.000 0.218 213 S C 0.612 175.184 174.600 -0.047 0.000 1.016 213 S CA -0.203 57.979 58.200 -0.030 0.000 0.916 213 S CB -0.416 62.779 63.200 -0.009 0.000 0.791 213 S HN 0.315 nan 8.310 nan 0.000 0.513 214 V N 3.231 123.106 119.914 -0.064 0.000 2.450 214 V HA 0.155 4.275 4.120 -0.000 0.000 0.281 214 V C 0.850 176.869 176.094 -0.124 0.000 1.019 214 V CA 0.292 62.543 62.300 -0.081 0.000 1.062 214 V CB 0.312 32.079 31.823 -0.093 0.000 0.979 214 V HN 0.493 nan 8.190 nan 0.000 0.477 215 E N 2.874 122.992 120.200 -0.137 0.000 2.389 215 E HA 0.193 4.543 4.350 -0.000 0.000 0.199 215 E C 0.056 176.311 176.600 -0.576 0.000 0.978 215 E CA 0.233 56.462 56.400 -0.285 0.000 0.912 215 E CB 0.554 30.147 29.700 -0.178 0.000 0.907 215 E HN 0.751 nan 8.360 nan 0.000 0.494 216 H N -0.703 118.314 119.070 -0.089 0.000 3.046 216 H HA 0.358 4.914 4.556 -0.000 0.000 0.361 216 H C -1.298 173.960 175.328 -0.116 0.000 1.235 216 H CA -0.638 55.344 56.048 -0.110 0.000 1.146 216 H CB 2.160 31.867 29.762 -0.091 0.000 1.859 216 H HN -0.203 nan 8.280 nan 0.000 0.548 217 V N 3.758 123.655 119.914 -0.028 0.000 2.419 217 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 217 V C 0.271 176.314 176.094 -0.085 0.000 1.017 217 V CA -0.494 61.752 62.300 -0.089 0.000 0.844 217 V CB 1.343 33.043 31.823 -0.204 0.000 1.011 217 V HN 0.486 nan 8.190 nan 0.000 0.429 218 I N 5.232 125.820 120.570 0.031 0.000 2.352 218 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 218 I C -0.304 175.898 176.117 0.142 0.000 1.036 218 I CA -0.290 61.082 61.300 0.120 0.000 1.336 218 I CB 1.423 39.578 38.000 0.258 0.000 1.407 218 I HN 0.288 nan 8.210 nan 0.000 0.497 219 V N 7.348 127.338 119.914 0.126 0.000 2.417 219 V HA 0.319 4.439 4.120 -0.000 0.000 0.291 219 V C -0.226 176.091 176.094 0.373 0.000 1.024 219 V CA -0.767 61.606 62.300 0.121 0.000 0.861 219 V CB 1.753 33.498 31.823 -0.131 0.000 0.985 219 V HN 0.432 nan 8.190 nan 0.000 0.436 220 L N 4.534 125.912 121.223 0.259 0.000 2.276 220 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 220 L C 0.245 177.264 176.870 0.249 0.000 1.061 220 L CA -0.070 54.880 54.840 0.183 0.000 0.807 220 L CB 0.934 42.848 42.059 -0.242 0.000 1.177 220 L HN 0.673 nan 8.230 nan 0.000 0.429 221 K N 3.947 124.529 120.400 0.303 0.000 2.220 221 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 221 K C 0.761 177.362 176.600 0.001 0.000 1.098 221 K CA -0.171 56.230 56.287 0.191 0.000 0.928 221 K CB 0.384 32.828 32.500 -0.095 0.000 1.214 221 K HN 0.708 nan 8.250 nan 0.000 0.442 222 R N 1.828 122.323 120.500 -0.007 0.000 2.175 222 R HA 0.006 4.346 4.340 -0.000 0.000 0.202 222 R C 1.461 177.738 176.300 -0.039 0.000 1.018 222 R CA 1.915 57.972 56.100 -0.071 0.000 1.029 222 R CB 0.160 30.399 30.300 -0.102 0.000 0.959 222 R HN 0.646 nan 8.270 nan 0.000 0.480 223 T N -4.951 109.597 114.554 -0.009 0.000 2.955 223 T HA 0.276 4.626 4.350 -0.000 0.000 0.251 223 T C 1.265 175.964 174.700 -0.001 0.000 1.002 223 T CA 0.314 62.410 62.100 -0.006 0.000 0.970 223 T CB 0.570 69.435 68.868 -0.005 0.000 1.091 223 T HN 0.310 nan 8.240 nan 0.000 0.495 224 G N 1.393 110.203 108.800 0.016 0.000 2.143 224 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 224 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 224 G C 0.179 175.100 174.900 0.034 0.000 0.991 224 G CA 0.219 45.321 45.100 0.003 0.000 0.689 224 G HN 0.744 nan 8.290 nan 0.000 0.522 225 S N 0.660 116.394 115.700 0.057 0.000 2.584 225 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 225 S C 0.326 174.979 174.600 0.088 0.000 1.346 225 S CA -0.346 57.888 58.200 0.056 0.000 1.018 225 S CB 0.594 63.822 63.200 0.046 0.000 0.899 225 S HN 0.326 nan 8.310 nan 0.000 0.542 226 D N 2.467 122.908 120.400 0.070 0.000 2.346 226 D HA 0.234 4.874 4.640 -0.000 0.000 0.260 226 D C 0.214 176.575 176.300 0.101 0.000 1.252 226 D CA 0.251 54.301 54.000 0.083 0.000 0.895 226 D CB -0.023 40.811 40.800 0.057 0.000 1.097 226 D HN 0.431 nan 8.370 nan 0.000 0.489 227 I N -1.662 118.998 120.570 0.149 0.000 2.846 227 I HA 0.458 4.628 4.170 -0.000 0.000 0.307 227 I C -0.179 176.045 176.117 0.178 0.000 1.053 227 I CA -1.054 60.338 61.300 0.154 0.000 1.050 227 I CB 2.350 40.465 38.000 0.192 0.000 1.239 227 I HN -0.094 nan 8.210 nan 0.000 0.439 228 D N 2.798 123.281 120.400 0.138 0.000 2.304 228 D HA 0.151 4.791 4.640 -0.000 0.000 0.247 228 D C -1.475 174.955 176.300 0.216 0.000 1.089 228 D CA 0.186 54.271 54.000 0.142 0.000 0.910 228 D CB 1.813 42.653 40.800 0.065 0.000 1.199 228 D HN 0.514 nan 8.370 nan 0.000 0.426 229 W N 1.550 122.833 121.300 -0.029 0.000 2.785 229 W HA 0.157 4.817 4.660 0.000 0.000 0.333 229 W C -0.852 175.638 176.519 -0.049 0.000 1.062 229 W CA -0.748 56.561 57.345 -0.060 0.000 1.233 229 W CB 2.050 31.488 29.460 -0.037 0.000 1.413 229 W HN 0.256 nan 8.180 nan 0.000 0.489 230 Q N 4.440 124.023 119.800 -0.361 0.000 2.431 230 Q HA 0.127 4.467 4.340 -0.000 0.000 0.249 230 Q C -0.033 175.840 176.000 -0.212 0.000 1.025 230 Q CA -0.175 55.494 55.803 -0.223 0.000 0.835 230 Q CB 0.703 29.290 28.738 -0.252 0.000 1.207 230 Q HN 0.495 nan 8.270 nan 0.000 0.490 231 E N 2.943 123.154 120.200 0.018 0.000 2.568 231 E HA 0.124 4.474 4.350 -0.000 0.000 0.262 231 E C 0.622 177.228 176.600 0.010 0.000 0.961 231 E CA 0.632 57.089 56.400 0.095 0.000 0.945 231 E CB 0.119 29.882 29.700 0.106 0.000 0.924 231 E HN 0.872 nan 8.360 nan 0.000 0.467 232 G N 3.925 112.758 108.800 0.055 0.000 2.550 232 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.233 232 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.233 232 G C 1.182 176.089 174.900 0.011 0.000 1.170 232 G CA 0.590 45.715 45.100 0.042 0.000 0.693 232 G HN 0.643 nan 8.290 nan 0.000 0.512 233 R N 1.052 121.479 120.500 -0.121 0.000 2.057 233 R HA 0.064 4.404 4.340 -0.000 0.000 0.224 233 R C 0.013 176.193 176.300 -0.200 0.000 1.136 233 R CA 1.146 57.128 56.100 -0.197 0.000 0.968 233 R CB -0.171 29.974 30.300 -0.258 0.000 0.863 233 R HN 0.421 nan 8.270 nan 0.000 0.433 234 D N 1.144 121.248 120.400 -0.493 0.000 2.350 234 D HA 0.243 4.883 4.640 -0.000 0.000 0.249 234 D C -0.523 175.506 176.300 -0.453 0.000 1.119 234 D CA 0.285 53.773 54.000 -0.853 0.000 0.886 234 D CB 1.462 41.039 40.800 -2.039 0.000 1.195 234 D HN 0.153 nan 8.370 nan 0.000 0.437 235 L N 1.310 122.395 121.223 -0.230 0.000 2.431 235 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 235 L C -0.644 176.358 176.870 0.219 0.000 0.978 235 L CA -1.087 53.835 54.840 0.137 0.000 0.822 235 L CB 1.805 43.906 42.059 0.070 0.000 1.310 235 L HN 0.293 nan 8.230 nan 0.000 0.409 236 W N 2.200 123.776 121.300 0.459 0.000 2.216 236 W HA 0.042 4.702 4.660 -0.000 0.000 0.326 236 W C 1.067 177.757 176.519 0.285 0.000 1.319 236 W CA -0.113 57.448 57.345 0.361 0.000 1.213 236 W CB 0.797 30.375 29.460 0.197 0.000 1.171 236 W HN 0.625 nan 8.180 nan 0.000 0.557 237 W N 4.145 125.687 121.300 0.403 0.000 2.333 237 W HA -0.243 4.417 4.660 -0.000 0.000 0.316 237 W C 2.040 178.678 176.519 0.199 0.000 1.215 237 W CA 1.816 59.309 57.345 0.247 0.000 1.278 237 W CB -0.498 29.049 29.460 0.145 0.000 1.154 237 W HN 0.523 nan 8.180 nan 0.000 0.486 238 R N 0.675 121.492 120.500 0.528 0.000 2.096 238 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 238 R C 1.829 178.224 176.300 0.158 0.000 1.139 238 R CA 2.479 58.760 56.100 0.301 0.000 0.952 238 R CB -0.699 29.703 30.300 0.170 0.000 0.854 238 R HN -0.023 nan 8.270 nan 0.000 0.436 239 D N 0.222 120.735 120.400 0.187 0.000 2.218 239 D HA -0.136 4.503 4.640 -0.000 0.000 0.204 239 D C 1.862 178.201 176.300 0.066 0.000 0.976 239 D CA 1.031 55.106 54.000 0.125 0.000 0.853 239 D CB 0.018 40.931 40.800 0.187 0.000 0.939 239 D HN 0.348 nan 8.370 nan 0.000 0.481 240 L N -0.018 121.231 121.223 0.043 0.000 2.168 240 L HA 0.099 4.439 4.340 -0.000 0.000 0.203 240 L C 2.451 179.257 176.870 -0.106 0.000 1.078 240 L CA 0.335 55.144 54.840 -0.053 0.000 0.780 240 L CB -0.039 41.961 42.059 -0.099 0.000 0.939 240 L HN -0.043 nan 8.230 nan 0.000 0.451 241 I N 0.003 120.490 120.570 -0.138 0.000 2.439 241 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 241 I C 2.251 178.341 176.117 -0.046 0.000 1.139 241 I CA 1.190 62.415 61.300 -0.126 0.000 1.438 241 I CB 0.185 38.076 38.000 -0.182 0.000 1.085 241 I HN 0.313 nan 8.210 nan 0.000 0.427 242 E N 0.877 121.070 120.200 -0.011 0.000 2.268 242 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 242 E C 1.746 178.342 176.600 -0.007 0.000 0.995 242 E CA 1.102 57.505 56.400 0.005 0.000 0.836 242 E CB 0.146 29.858 29.700 0.020 0.000 0.763 242 E HN 0.587 nan 8.360 nan 0.000 0.491 243 K N -0.550 119.838 120.400 -0.020 0.000 2.361 243 K HA 0.290 4.610 4.320 -0.000 0.000 0.194 243 K C 0.509 177.087 176.600 -0.036 0.000 1.032 243 K CA 0.084 56.357 56.287 -0.023 0.000 1.048 243 K CB 0.654 33.140 32.500 -0.023 0.000 0.842 243 K HN -0.097 nan 8.250 nan 0.000 0.526 244 A N 1.553 124.342 122.820 -0.052 0.000 2.351 244 A HA 0.254 4.574 4.320 -0.000 0.000 0.257 244 A C -0.155 177.406 177.584 -0.038 0.000 1.087 244 A CA -0.414 51.584 52.037 -0.064 0.000 0.798 244 A CB 0.855 19.792 19.000 -0.104 0.000 1.033 244 A HN 0.291 nan 8.150 nan 0.000 0.488 245 S N 1.616 117.297 115.700 -0.031 0.000 2.523 245 S HA 0.391 4.861 4.470 -0.000 0.000 0.275 245 S C -1.515 173.085 174.600 -0.000 0.000 1.281 245 S CA -1.221 56.974 58.200 -0.009 0.000 1.050 245 S CB 0.605 63.805 63.200 0.000 0.000 0.937 245 S HN 0.522 nan 8.310 nan 0.000 0.492 246 P HA 0.134 nan 4.420 nan 0.000 0.253 246 P C -0.498 176.829 177.300 0.044 0.000 1.281 246 P CA 0.244 63.357 63.100 0.023 0.000 0.792 246 P CB 0.125 31.847 31.700 0.037 0.000 1.193 247 E N 0.747 120.977 120.200 0.049 0.000 2.113 247 E HA 0.303 4.653 4.350 -0.000 0.000 0.273 247 E C -0.895 175.763 176.600 0.098 0.000 0.924 247 E CA -0.369 56.070 56.400 0.065 0.000 0.764 247 E CB 1.248 30.973 29.700 0.041 0.000 1.104 247 E HN 0.237 nan 8.360 nan 0.000 0.406 248 H N 1.890 120.953 119.070 -0.012 0.000 3.083 248 H HA 0.143 4.699 4.556 -0.000 0.000 0.339 248 H C -1.175 174.153 175.328 -0.001 0.000 1.020 248 H CA -0.580 55.454 56.048 -0.023 0.000 1.360 248 H CB 0.858 30.587 29.762 -0.055 0.000 1.811 248 H HN 0.097 nan 8.280 nan 0.000 0.493 249 Q N 5.533 124.971 119.800 -0.604 0.000 2.296 249 Q HA 0.298 4.638 4.340 -0.000 0.000 0.257 249 Q C -2.402 173.312 176.000 -0.477 0.000 0.942 249 Q CA -2.493 53.083 55.803 -0.378 0.000 0.939 249 Q CB 0.973 29.573 28.738 -0.229 0.000 1.198 249 Q HN 0.570 nan 8.270 nan 0.000 0.429 250 P HA 0.022 nan 4.420 nan 0.000 0.267 250 P C -0.188 177.089 177.300 -0.038 0.000 1.209 250 P CA 0.170 63.258 63.100 -0.020 0.000 0.763 250 P CB 0.706 32.427 31.700 0.034 0.000 0.816 251 E N 1.730 121.933 120.200 0.005 0.000 2.319 251 E HA 0.416 4.766 4.350 -0.000 0.000 0.268 251 E C 0.095 176.701 176.600 0.011 0.000 1.050 251 E CA -0.659 55.742 56.400 0.001 0.000 0.878 251 E CB 1.128 30.840 29.700 0.020 0.000 1.066 251 E HN 0.369 nan 8.360 nan 0.000 0.406 252 A N 3.503 126.328 122.820 0.009 0.000 2.450 252 A HA 0.343 4.663 4.320 -0.000 0.000 0.255 252 A C -0.098 177.499 177.584 0.022 0.000 1.096 252 A CA -0.178 51.868 52.037 0.015 0.000 0.778 252 A CB 0.065 19.081 19.000 0.028 0.000 1.031 252 A HN 0.379 nan 8.150 nan 0.000 0.494 253 M N 2.165 121.774 119.600 0.016 0.000 2.364 253 M HA 0.293 4.773 4.480 -0.000 0.000 0.334 253 M C -0.206 176.122 176.300 0.047 0.000 1.107 253 M CA -0.872 54.441 55.300 0.020 0.000 0.988 253 M CB 1.084 33.683 32.600 -0.002 0.000 1.673 253 M HN 0.760 nan 8.290 nan 0.000 0.441 254 N N 0.440 119.177 118.700 0.063 0.000 2.482 254 N HA 0.322 5.062 4.740 -0.000 0.000 0.260 254 N C 1.116 176.703 175.510 0.127 0.000 1.236 254 N CA 0.188 53.301 53.050 0.105 0.000 0.938 254 N CB 0.926 39.463 38.487 0.083 0.000 1.128 254 N HN 0.778 nan 8.380 nan 0.000 0.448 255 A N 1.518 124.474 122.820 0.227 0.000 1.917 255 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 255 A C 1.371 179.062 177.584 0.178 0.000 1.182 255 A CA 1.448 53.658 52.037 0.289 0.000 0.633 255 A CB -0.238 19.043 19.000 0.468 0.000 0.819 255 A HN 0.651 nan 8.150 nan 0.000 0.448 256 E N 1.059 121.336 120.200 0.128 0.000 2.403 256 E HA 0.064 4.414 4.350 -0.000 0.000 0.188 256 E C -0.720 175.893 176.600 0.022 0.000 1.056 256 E CA -0.139 56.300 56.400 0.066 0.000 0.892 256 E CB -0.241 29.485 29.700 0.043 0.000 1.049 256 E HN 0.504 nan 8.360 nan 0.000 0.465 257 D N 2.388 122.803 120.400 0.026 0.000 2.382 257 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 257 D C -2.164 174.117 176.300 -0.032 0.000 1.120 257 D CA -1.581 52.419 54.000 0.001 0.000 0.890 257 D CB 0.867 41.672 40.800 0.008 0.000 1.201 257 D HN -0.018 nan 8.370 nan 0.000 0.433 258 P HA -0.023 nan 4.420 nan 0.000 0.271 258 P C 0.320 177.552 177.300 -0.112 0.000 1.220 258 P CA -0.329 62.716 63.100 -0.093 0.000 0.768 258 P CB 1.252 32.919 31.700 -0.055 0.000 0.848 259 L N 5.022 126.123 121.223 -0.203 0.000 2.276 259 L HA 0.340 4.679 4.340 -0.000 0.000 0.194 259 L C 0.495 177.243 176.870 -0.203 0.000 1.099 259 L CA 1.455 56.185 54.840 -0.183 0.000 0.800 259 L CB -0.349 41.575 42.059 -0.224 0.000 0.994 259 L HN 0.464 nan 8.230 nan 0.000 0.475 260 F N -1.714 118.038 119.950 -0.331 0.000 2.715 260 F HA 0.697 5.224 4.527 -0.000 0.000 0.318 260 F C -1.168 174.485 175.800 -0.244 0.000 1.141 260 F CA -1.800 55.931 58.000 -0.448 0.000 0.950 260 F CB 0.730 39.278 39.000 -0.754 0.000 1.374 260 F HN -0.237 nan 8.300 nan 0.000 0.477 261 I N 2.321 123.001 120.570 0.183 0.000 2.533 261 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 261 I C -1.460 174.739 176.117 0.135 0.000 1.056 261 I CA -0.650 60.670 61.300 0.033 0.000 1.057 261 I CB 2.219 40.099 38.000 -0.199 0.000 1.240 261 I HN 0.516 nan 8.210 nan 0.000 0.423 262 L N 6.433 127.693 121.223 0.061 0.000 2.372 262 L HA 0.449 4.789 4.340 -0.000 0.000 0.274 262 L C -1.154 175.711 176.870 -0.009 0.000 0.988 262 L CA -0.714 54.170 54.840 0.073 0.000 0.833 262 L CB 1.510 43.625 42.059 0.093 0.000 1.236 262 L HN 0.431 nan 8.230 nan 0.000 0.410 263 Y N 1.914 122.303 120.300 0.149 0.000 2.465 263 Y HA 0.210 4.760 4.550 -0.000 0.000 0.331 263 Y C 0.722 176.779 175.900 0.261 0.000 1.102 263 Y CA 0.224 58.445 58.100 0.201 0.000 1.358 263 Y CB 0.879 39.470 38.460 0.219 0.000 1.213 263 Y HN 0.404 nan 8.280 nan 0.000 0.525 264 T N 2.069 116.807 114.554 0.307 0.000 2.861 264 T HA 0.335 4.685 4.350 -0.000 0.000 0.287 264 T C -0.330 174.511 174.700 0.234 0.000 1.003 264 T CA -1.114 61.146 62.100 0.266 0.000 0.977 264 T CB 1.199 70.186 68.868 0.197 0.000 0.996 264 T HN 0.450 nan 8.240 nan 0.000 0.448 265 S N 1.654 117.469 115.700 0.192 0.000 2.549 265 S HA 0.555 5.025 4.470 -0.000 0.000 0.279 265 S C 0.853 175.509 174.600 0.093 0.000 1.321 265 S CA -0.665 57.615 58.200 0.133 0.000 1.054 265 S CB 0.724 63.978 63.200 0.091 0.000 0.899 265 S HN 0.914 nan 8.310 nan 0.000 0.497 266 G N 0.576 109.420 108.800 0.073 0.000 2.887 266 G HA2 0.420 4.380 3.960 -0.000 0.000 0.277 266 G HA3 0.420 4.380 3.960 -0.000 0.000 0.277 266 G C 0.731 175.633 174.900 0.003 0.000 1.346 266 G CA -0.498 44.619 45.100 0.028 0.000 1.058 266 G HN 0.581 nan 8.290 nan 0.000 0.535 267 S N -1.539 114.143 115.700 -0.031 0.000 2.489 267 S HA 0.117 4.587 4.470 -0.000 0.000 0.228 267 S C 1.074 175.667 174.600 -0.012 0.000 0.995 267 S CA 1.419 59.605 58.200 -0.025 0.000 0.934 267 S CB -0.356 62.817 63.200 -0.046 0.000 0.771 267 S HN 1.057 nan 8.310 nan 0.000 0.522 268 T N -2.830 111.718 114.554 -0.010 0.000 2.841 268 T HA 0.659 5.009 4.350 -0.000 0.000 0.296 268 T C 0.325 175.036 174.700 0.018 0.000 1.166 268 T CA -0.221 61.880 62.100 0.002 0.000 1.007 268 T CB 0.960 69.823 68.868 -0.008 0.000 1.253 268 T HN 0.700 nan 8.240 nan 0.000 0.511 269 G N 0.140 108.955 108.800 0.025 0.000 2.801 269 G HA2 0.323 4.283 3.960 -0.000 0.000 0.244 269 G HA3 0.323 4.283 3.960 -0.000 0.000 0.244 269 G C 0.024 174.956 174.900 0.053 0.000 1.385 269 G CA 0.216 45.339 45.100 0.039 0.000 0.894 269 G HN 1.543 nan 8.290 nan 0.000 0.562 270 K N 0.343 120.783 120.400 0.066 0.000 2.149 270 K HA 0.715 5.035 4.320 -0.000 0.000 0.245 270 K C -1.582 175.098 176.600 0.133 0.000 1.024 270 K CA -0.291 56.045 56.287 0.081 0.000 0.899 270 K CB -0.476 32.068 32.500 0.073 0.000 1.038 270 K HN 0.773 nan 8.250 nan 0.000 0.496 271 P HA 0.127 nan 4.420 nan 0.000 0.265 271 P C -0.756 176.769 177.300 0.376 0.000 1.193 271 P CA -0.093 63.170 63.100 0.271 0.000 0.765 271 P CB 0.539 32.446 31.700 0.345 0.000 0.823 272 K N 1.536 122.126 120.400 0.317 0.000 2.156 272 K HA 0.481 4.801 4.320 -0.000 0.000 0.250 272 K C 0.571 177.202 176.600 0.052 0.000 0.955 272 K CA -0.696 55.754 56.287 0.271 0.000 0.855 272 K CB 1.426 34.047 32.500 0.201 0.000 1.101 272 K HN 0.509 nan 8.250 nan 0.000 0.434 273 G N 1.157 109.804 108.800 -0.254 0.000 2.639 273 G HA2 0.273 4.233 3.960 -0.000 0.000 0.312 273 G HA3 0.273 4.233 3.960 -0.000 0.000 0.312 273 G C -0.053 174.686 174.900 -0.268 0.000 0.911 273 G CA -0.453 44.183 45.100 -0.774 0.000 1.410 273 G HN 0.226 nan 8.290 nan 0.000 0.469 274 V N 3.697 123.511 119.914 -0.167 0.000 2.493 274 V HA 0.060 4.180 4.120 -0.000 0.000 0.292 274 V C 0.611 176.568 176.094 -0.229 0.000 1.016 274 V CA -0.029 62.198 62.300 -0.121 0.000 1.097 274 V CB 0.934 32.738 31.823 -0.031 0.000 0.947 274 V HN 0.598 nan 8.190 nan 0.000 0.479 275 L N 5.947 126.975 121.223 -0.325 0.000 2.296 275 L HA 0.564 4.904 4.340 -0.000 0.000 0.286 275 L C -0.270 176.250 176.870 -0.583 0.000 1.023 275 L CA -0.274 54.341 54.840 -0.376 0.000 0.812 275 L CB 0.804 42.734 42.059 -0.215 0.000 1.223 275 L HN 0.628 nan 8.230 nan 0.000 0.421 276 H N 2.606 121.304 119.070 -0.620 0.000 2.492 276 H HA 0.417 4.973 4.556 -0.000 0.000 0.345 276 H C -0.171 174.818 175.328 -0.564 0.000 1.136 276 H CA -0.265 55.371 56.048 -0.687 0.000 1.202 276 H CB 1.968 30.971 29.762 -1.264 0.000 1.524 276 H HN 0.737 nan 8.280 nan 0.000 0.506 277 T N -0.676 113.769 114.554 -0.182 0.000 2.924 277 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 277 T C 1.137 175.800 174.700 -0.062 0.000 1.120 277 T CA -0.321 61.710 62.100 -0.115 0.000 0.940 277 T CB 0.393 69.244 68.868 -0.028 0.000 1.591 277 T HN 0.439 nan 8.240 nan 0.000 0.578 278 T N -0.182 114.379 114.554 0.011 0.000 3.031 278 T HA 0.257 4.607 4.350 -0.000 0.000 0.236 278 T C 2.229 176.980 174.700 0.085 0.000 1.005 278 T CA 0.634 62.755 62.100 0.034 0.000 1.230 278 T CB -1.167 67.692 68.868 -0.015 0.000 0.913 278 T HN 0.726 nan 8.240 nan 0.000 0.419 279 G N 1.476 110.352 108.800 0.127 0.000 2.679 279 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 279 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 279 G C 1.749 176.837 174.900 0.313 0.000 1.267 279 G CA 1.254 46.497 45.100 0.237 0.000 0.799 279 G HN 0.562 nan 8.290 nan 0.000 0.606 280 G N -0.325 108.706 108.800 0.384 0.000 2.440 280 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 280 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 280 G C 1.683 176.619 174.900 0.061 0.000 1.154 280 G CA 1.396 46.611 45.100 0.191 0.000 0.767 280 G HN 0.499 nan 8.290 nan 0.000 0.552 281 Y N 0.744 121.035 120.300 -0.014 0.000 2.097 281 Y HA -0.094 4.456 4.550 -0.000 0.000 0.282 281 Y C 2.475 178.371 175.900 -0.007 0.000 1.152 281 Y CA 1.707 59.784 58.100 -0.037 0.000 1.136 281 Y CB -0.522 37.884 38.460 -0.089 0.000 0.975 281 Y HN 0.128 nan 8.280 nan 0.000 0.498 282 L N -0.388 120.738 121.223 -0.161 0.000 2.083 282 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 282 L C 2.332 179.089 176.870 -0.189 0.000 1.083 282 L CA 1.502 56.178 54.840 -0.274 0.000 0.752 282 L CB -1.009 40.963 42.059 -0.145 0.000 0.899 282 L HN 0.223 nan 8.230 nan 0.000 0.433 283 V N -1.283 118.609 119.914 -0.036 0.000 2.261 283 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 283 V C 2.248 178.402 176.094 0.099 0.000 1.047 283 V CA 2.185 64.537 62.300 0.087 0.000 1.015 283 V CB -0.866 31.103 31.823 0.242 0.000 0.642 283 V HN 0.522 nan 8.190 nan 0.000 0.446 284 Y N 0.768 121.007 120.300 -0.101 0.000 2.145 284 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 284 Y C 2.456 178.240 175.900 -0.193 0.000 1.145 284 Y CA 1.726 59.774 58.100 -0.086 0.000 1.148 284 Y CB -0.362 38.004 38.460 -0.158 0.000 0.981 284 Y HN 0.186 nan 8.280 nan 0.000 0.507 285 A N 0.066 122.679 122.820 -0.345 0.000 1.908 285 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 285 A C 2.335 179.705 177.584 -0.357 0.000 1.181 285 A CA 1.970 53.665 52.037 -0.568 0.000 0.627 285 A CB -1.415 17.094 19.000 -0.819 0.000 0.818 285 A HN 0.557 nan 8.150 nan 0.000 0.445 286 A N -1.357 121.328 122.820 -0.225 0.000 1.929 286 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 286 A C 2.292 179.862 177.584 -0.022 0.000 1.176 286 A CA 2.132 54.112 52.037 -0.094 0.000 0.628 286 A CB -1.068 17.890 19.000 -0.071 0.000 0.816 286 A HN 0.426 nan 8.150 nan 0.000 0.444 287 T N 0.330 114.869 114.554 -0.024 0.000 2.737 287 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 287 T C 2.215 176.917 174.700 0.003 0.000 1.038 287 T CA 2.141 64.255 62.100 0.024 0.000 1.144 287 T CB -0.663 68.422 68.868 0.362 0.000 0.866 287 T HN 0.792 nan 8.240 nan 0.000 0.434 288 T N 1.192 115.609 114.554 -0.229 0.000 2.708 288 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 288 T C 1.749 176.353 174.700 -0.161 0.000 1.037 288 T CA 1.090 62.887 62.100 -0.506 0.000 1.146 288 T CB -0.972 67.289 68.868 -1.011 0.000 0.865 288 T HN 0.322 nan 8.240 nan 0.000 0.435 289 F N 2.748 122.630 119.950 -0.113 0.000 2.065 289 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 289 F C 2.456 178.359 175.800 0.170 0.000 1.112 289 F CA 1.935 60.029 58.000 0.156 0.000 1.212 289 F CB -0.353 38.660 39.000 0.021 0.000 0.975 289 F HN 0.078 nan 8.300 nan 0.000 0.476 290 K N -0.754 119.609 120.400 -0.063 0.000 2.026 290 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 290 K C 2.226 178.801 176.600 -0.041 0.000 1.048 290 K CA 2.153 58.357 56.287 -0.137 0.000 0.929 290 K CB -0.633 31.768 32.500 -0.164 0.000 0.713 290 K HN 0.496 nan 8.250 nan 0.000 0.439 291 Y N -0.301 120.073 120.300 0.123 0.000 2.243 291 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 291 Y C 2.288 178.217 175.900 0.048 0.000 1.124 291 Y CA 0.233 58.429 58.100 0.161 0.000 1.159 291 Y CB 0.213 38.886 38.460 0.354 0.000 1.008 291 Y HN -0.140 nan 8.280 nan 0.000 0.527 292 V N -0.773 119.185 119.914 0.074 0.000 2.515 292 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 292 V C 1.194 177.056 176.094 -0.386 0.000 1.058 292 V CA 1.687 63.847 62.300 -0.232 0.000 1.064 292 V CB -0.552 30.989 31.823 -0.470 0.000 0.675 292 V HN 0.338 nan 8.190 nan 0.000 0.461 293 F N -0.649 119.244 119.950 -0.094 0.000 2.693 293 F HA 0.256 4.783 4.527 -0.000 0.000 0.303 293 F C 1.068 176.855 175.800 -0.022 0.000 1.097 293 F CA 0.110 58.044 58.000 -0.111 0.000 1.330 293 F CB -0.021 38.806 39.000 -0.287 0.000 1.067 293 F HN 0.134 nan 8.300 nan 0.000 0.565 294 D N 0.651 121.148 120.400 0.162 0.000 2.702 294 D HA -0.329 4.311 4.640 -0.000 0.000 0.233 294 D C -0.110 176.360 176.300 0.283 0.000 1.164 294 D CA 0.360 54.500 54.000 0.233 0.000 0.638 294 D CB -1.446 39.499 40.800 0.242 0.000 1.041 294 D HN 0.411 nan 8.370 nan 0.000 0.422 295 Y N 0.929 121.244 120.300 0.025 0.000 2.721 295 Y HA 0.245 4.795 4.550 -0.000 0.000 0.329 295 Y C 0.024 175.971 175.900 0.078 0.000 1.211 295 Y CA 0.385 58.506 58.100 0.036 0.000 1.512 295 Y CB 0.290 38.657 38.460 -0.155 0.000 1.249 295 Y HN 0.154 nan 8.280 nan 0.000 0.549 296 H N 6.556 125.125 119.070 -0.835 0.000 2.538 296 H HA 0.364 4.920 4.556 -0.000 0.000 0.353 296 H C -2.461 172.355 175.328 -0.854 0.000 1.109 296 H CA -2.371 53.298 56.048 -0.632 0.000 1.192 296 H CB 1.280 30.894 29.762 -0.246 0.000 1.555 296 H HN 0.503 nan 8.280 nan 0.000 0.518 297 P HA -0.025 nan 4.420 nan 0.000 0.257 297 P C 0.821 178.099 177.300 -0.037 0.000 1.162 297 P CA 1.782 64.794 63.100 -0.148 0.000 0.762 297 P CB 0.349 32.039 31.700 -0.017 0.000 0.753 298 G N 2.473 111.322 108.800 0.081 0.000 2.278 298 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.210 298 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.210 298 G C -0.037 174.956 174.900 0.154 0.000 1.000 298 G CA -0.458 44.711 45.100 0.114 0.000 0.635 298 G HN 0.476 nan 8.290 nan 0.000 0.495 299 D N 1.394 121.888 120.400 0.155 0.000 2.443 299 D HA 0.359 4.999 4.640 -0.000 0.000 0.239 299 D C 0.793 177.297 176.300 0.340 0.000 1.136 299 D CA 0.251 54.389 54.000 0.231 0.000 0.879 299 D CB 0.751 41.699 40.800 0.247 0.000 1.195 299 D HN 0.160 nan 8.370 nan 0.000 0.443 300 I N 2.633 123.363 120.570 0.268 0.000 2.304 300 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 300 I C -0.187 176.123 176.117 0.321 0.000 1.018 300 I CA -0.637 60.817 61.300 0.256 0.000 1.260 300 I CB -0.145 37.958 38.000 0.171 0.000 1.390 300 I HN 0.283 nan 8.210 nan 0.000 0.475 301 Y N 7.284 127.716 120.300 0.220 0.000 2.377 301 Y HA 0.527 5.077 4.550 -0.000 0.000 0.339 301 Y C -1.349 174.718 175.900 0.279 0.000 1.011 301 Y CA -0.703 57.535 58.100 0.229 0.000 1.093 301 Y CB 1.557 40.177 38.460 0.266 0.000 1.201 301 Y HN 0.595 nan 8.280 nan 0.000 0.455 302 W N 8.438 129.356 121.300 -0.637 0.000 2.631 302 W HA 0.480 5.140 4.660 0.000 0.000 0.321 302 W C -1.878 174.329 176.519 -0.521 0.000 1.004 302 W CA -1.778 55.303 57.345 -0.440 0.000 1.291 302 W CB 0.772 30.127 29.460 -0.175 0.000 1.300 302 W HN 0.854 nan 8.180 nan 0.000 0.422 303 C N 6.838 126.036 119.300 -0.171 0.000 2.273 303 C HA 0.490 4.950 4.460 -0.000 0.000 0.328 303 C C 1.698 176.683 174.990 -0.007 0.000 1.275 303 C CA 0.442 59.440 59.018 -0.033 0.000 1.704 303 C CB -0.058 27.928 27.740 0.411 0.000 2.326 303 C HN 0.773 nan 8.230 nan 0.000 0.517 304 T N 3.062 117.456 114.554 -0.267 0.000 3.088 304 T HA 0.187 4.537 4.350 -0.000 0.000 0.259 304 T C 0.887 175.652 174.700 0.108 0.000 1.122 304 T CA 0.649 62.685 62.100 -0.106 0.000 1.095 304 T CB -0.235 68.458 68.868 -0.292 0.000 0.930 304 T HN 1.226 nan 8.240 nan 0.000 0.508 305 A N 1.704 124.588 122.820 0.105 0.000 2.531 305 A HA 0.296 4.616 4.320 -0.000 0.000 0.236 305 A C 0.190 177.944 177.584 0.284 0.000 1.062 305 A CA -0.293 51.871 52.037 0.211 0.000 0.760 305 A CB -0.451 18.697 19.000 0.248 0.000 0.995 305 A HN 0.602 nan 8.150 nan 0.000 0.501 306 D N 1.076 121.688 120.400 0.353 0.000 2.399 306 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 306 D C 1.089 177.480 176.300 0.151 0.000 1.133 306 D CA 0.401 54.545 54.000 0.239 0.000 0.890 306 D CB 0.948 41.887 40.800 0.232 0.000 1.201 306 D HN 0.242 nan 8.370 nan 0.000 0.432 307 V N 3.321 123.269 119.914 0.057 0.000 2.867 307 V HA -0.004 4.116 4.120 -0.000 0.000 0.260 307 V C 1.747 177.836 176.094 -0.009 0.000 1.099 307 V CA 2.157 64.447 62.300 -0.016 0.000 1.122 307 V CB -0.557 31.190 31.823 -0.127 0.000 0.708 307 V HN 0.752 nan 8.190 nan 0.000 0.490 308 G N -1.371 107.366 108.800 -0.105 0.000 2.920 308 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.208 308 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.208 308 G C 0.179 174.869 174.900 -0.349 0.000 1.159 308 G CA -0.382 44.581 45.100 -0.228 0.000 0.784 308 G HN 0.600 nan 8.290 nan 0.000 0.535 309 W N -2.144 119.238 121.300 0.137 0.000 2.736 309 W HA 0.452 5.112 4.660 -0.000 0.000 0.355 309 W C 1.068 177.629 176.519 0.070 0.000 1.102 309 W CA -1.241 56.124 57.345 0.033 0.000 1.164 309 W CB 1.578 31.031 29.460 -0.012 0.000 1.422 309 W HN -0.247 nan 8.180 nan 0.000 0.572 310 V N 1.162 121.244 119.914 0.280 0.000 2.469 310 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 310 V C 1.608 178.019 176.094 0.529 0.000 1.064 310 V CA 2.831 65.272 62.300 0.234 0.000 1.066 310 V CB -0.533 31.412 31.823 0.202 0.000 0.667 310 V HN 0.823 nan 8.190 nan 0.000 0.461 311 T N 0.031 114.894 114.554 0.514 0.000 2.746 311 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 311 T C 1.726 176.818 174.700 0.654 0.000 1.039 311 T CA 1.431 64.011 62.100 0.801 0.000 1.142 311 T CB -0.713 68.495 68.868 0.566 0.000 0.866 311 T HN 0.656 nan 8.240 nan 0.000 0.444 312 G N 0.586 109.671 108.800 0.476 0.000 2.402 312 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 312 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 312 G C 1.252 176.262 174.900 0.183 0.000 1.162 312 G CA 0.725 46.016 45.100 0.318 0.000 0.777 312 G HN 0.474 nan 8.290 nan 0.000 0.539 313 H N 0.906 119.996 119.070 0.034 0.000 2.253 313 H HA 0.003 4.559 4.556 -0.000 0.000 0.296 313 H C 3.053 178.360 175.328 -0.034 0.000 1.074 313 H CA 1.862 57.819 56.048 -0.153 0.000 1.263 313 H CB -0.300 29.336 29.762 -0.210 0.000 1.363 313 H HN 0.310 nan 8.280 nan 0.000 0.489 314 S N -0.798 115.078 115.700 0.294 0.000 2.387 314 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 314 S C 0.790 175.045 174.600 -0.574 0.000 1.026 314 S CA 1.006 59.132 58.200 -0.123 0.000 0.972 314 S CB -0.006 62.994 63.200 -0.334 0.000 0.814 314 S HN 0.440 nan 8.310 nan 0.000 0.477 315 Y N 0.034 120.498 120.300 0.273 0.000 2.660 315 Y HA 0.511 5.061 4.550 -0.000 0.000 0.254 315 Y C 1.077 177.200 175.900 0.372 0.000 1.176 315 Y CA -0.309 57.970 58.100 0.298 0.000 1.195 315 Y CB 0.290 39.097 38.460 0.578 0.000 1.190 315 Y HN 0.126 nan 8.280 nan 0.000 0.535 316 L N -1.485 119.910 121.223 0.287 0.000 2.600 316 L HA 0.208 4.548 4.340 -0.000 0.000 0.213 316 L C 0.984 177.872 176.870 0.031 0.000 1.045 316 L CA 0.567 55.563 54.840 0.261 0.000 0.863 316 L CB 0.400 42.584 42.059 0.207 0.000 1.189 316 L HN 0.176 nan 8.230 nan 0.000 0.484 317 L N -2.064 119.076 121.223 -0.139 0.000 3.076 317 L HA 0.090 4.430 4.340 -0.000 0.000 0.173 317 L C 2.288 179.039 176.870 -0.199 0.000 1.343 317 L CA -0.085 54.600 54.840 -0.259 0.000 0.894 317 L CB -1.005 40.748 42.059 -0.510 0.000 1.372 317 L HN -0.015 nan 8.230 nan 0.000 0.565 318 Y N 1.586 121.814 120.300 -0.119 0.000 2.040 318 Y HA -0.219 4.331 4.550 -0.000 0.000 0.275 318 Y C 2.580 178.316 175.900 -0.273 0.000 1.171 318 Y CA 1.332 59.358 58.100 -0.124 0.000 1.123 318 Y CB -1.744 36.728 38.460 0.020 0.000 0.963 318 Y HN 0.233 nan 8.280 nan 0.000 0.493 319 G N 0.335 108.981 108.800 -0.256 0.000 2.480 319 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 319 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 319 G C -0.437 174.003 174.900 -0.766 0.000 1.200 319 G CA 1.268 46.093 45.100 -0.457 0.000 0.782 319 G HN 0.358 nan 8.290 nan 0.000 0.554 320 P HA -0.026 nan 4.420 nan 0.000 0.217 320 P C 2.118 178.987 177.300 -0.718 0.000 1.150 320 P CA 0.833 62.981 63.100 -1.587 0.000 0.832 320 P CB -0.115 30.809 31.700 -1.294 0.000 0.787 321 L N -0.495 120.515 121.223 -0.355 0.000 2.093 321 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 321 L C 2.771 179.658 176.870 0.028 0.000 1.085 321 L CA 1.382 56.174 54.840 -0.081 0.000 0.755 321 L CB -1.141 40.923 42.059 0.008 0.000 0.904 321 L HN -0.058 nan 8.230 nan 0.000 0.435 322 A N -1.123 121.680 122.820 -0.029 0.000 2.019 322 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 322 A C 2.184 179.830 177.584 0.102 0.000 1.164 322 A CA 1.656 53.733 52.037 0.068 0.000 0.644 322 A CB -0.907 18.064 19.000 -0.047 0.000 0.805 322 A HN 0.562 nan 8.150 nan 0.000 0.449 323 C N -1.487 117.748 119.300 -0.109 0.000 2.697 323 C HA 0.444 4.904 4.460 -0.000 0.000 0.267 323 C C 1.921 176.806 174.990 -0.174 0.000 1.278 323 C CA 0.191 59.160 59.018 -0.082 0.000 1.708 323 C CB -1.062 26.592 27.740 -0.144 0.000 1.860 323 C HN 1.066 nan 8.230 nan 0.000 0.589 324 G N 0.855 109.371 108.800 -0.472 0.000 2.147 324 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.244 324 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.244 324 G C 0.091 174.858 174.900 -0.221 0.000 1.005 324 G CA 0.288 44.888 45.100 -0.834 0.000 0.713 324 G HN 0.880 nan 8.290 nan 0.000 0.515 325 A N -0.487 122.193 122.820 -0.233 0.000 2.304 325 A HA 0.782 5.102 4.320 -0.000 0.000 0.271 325 A C 0.694 178.328 177.584 0.085 0.000 1.091 325 A CA 0.632 52.589 52.037 -0.133 0.000 0.812 325 A CB 0.634 19.261 19.000 -0.622 0.000 1.056 325 A HN 0.733 nan 8.150 nan 0.000 0.489 326 T N 1.751 116.421 114.554 0.194 0.000 2.727 326 T HA 0.425 4.775 4.350 -0.000 0.000 0.298 326 T C 0.130 174.913 174.700 0.139 0.000 0.942 326 T CA 0.299 62.487 62.100 0.146 0.000 0.997 326 T CB 0.327 69.296 68.868 0.168 0.000 0.917 326 T HN 0.695 nan 8.240 nan 0.000 0.487 327 T N 3.966 118.557 114.554 0.062 0.000 2.859 327 T HA 0.616 4.966 4.350 -0.000 0.000 0.281 327 T C -0.549 174.181 174.700 0.050 0.000 1.005 327 T CA -0.764 61.424 62.100 0.146 0.000 1.025 327 T CB 0.546 69.476 68.868 0.104 0.000 0.977 327 T HN 0.468 nan 8.240 nan 0.000 0.458 328 L N 5.929 127.196 121.223 0.072 0.000 2.282 328 L HA 0.630 4.970 4.340 -0.000 0.000 0.288 328 L C -0.299 176.561 176.870 -0.017 0.000 1.033 328 L CA -0.686 54.075 54.840 -0.132 0.000 0.807 328 L CB 1.114 42.928 42.059 -0.408 0.000 1.209 328 L HN 0.690 nan 8.230 nan 0.000 0.423 329 M N 5.670 125.254 119.600 -0.027 0.000 2.072 329 M HA 0.319 4.799 4.480 -0.000 0.000 0.331 329 M C -1.612 174.751 176.300 0.105 0.000 1.004 329 M CA -0.645 54.736 55.300 0.135 0.000 0.952 329 M CB 1.018 33.729 32.600 0.185 0.000 1.511 329 M HN 0.539 nan 8.290 nan 0.000 0.422 330 F N 3.878 123.835 119.950 0.012 0.000 2.394 330 F HA 0.287 4.814 4.527 -0.000 0.000 0.340 330 F C 0.965 176.780 175.800 0.025 0.000 1.105 330 F CA -0.431 57.529 58.000 -0.067 0.000 1.124 330 F CB 1.159 40.276 39.000 0.195 0.000 1.145 330 F HN 0.764 nan 8.300 nan 0.000 0.505 331 E N 2.965 122.825 120.200 -0.566 0.000 2.122 331 E HA 0.138 4.488 4.350 -0.000 0.000 0.190 331 E C 1.022 177.244 176.600 -0.630 0.000 0.977 331 E CA 0.782 56.929 56.400 -0.422 0.000 0.820 331 E CB 0.014 29.585 29.700 -0.216 0.000 0.770 331 E HN 0.883 nan 8.360 nan 0.000 0.462 332 G N 0.442 108.475 108.800 -1.279 0.000 3.134 332 G HA2 0.418 4.378 3.960 -0.000 0.000 0.158 332 G HA3 0.418 4.378 3.960 -0.000 0.000 0.158 332 G C -0.285 174.361 174.900 -0.423 0.000 1.334 332 G CA 0.112 44.779 45.100 -0.721 0.000 1.001 332 G HN 0.180 nan 8.290 nan 0.000 0.600 333 V N -2.057 117.883 119.914 0.042 0.000 2.769 333 V HA 0.597 4.717 4.120 -0.000 0.000 0.312 333 V C -1.686 174.764 176.094 0.593 0.000 1.058 333 V CA -1.834 60.651 62.300 0.309 0.000 0.952 333 V CB 2.099 34.047 31.823 0.210 0.000 1.019 333 V HN 0.495 nan 8.190 nan 0.000 0.445 334 P HA -0.085 nan 4.420 nan 0.000 0.228 334 P C 0.397 177.851 177.300 0.256 0.000 1.151 334 P CA 1.362 64.667 63.100 0.342 0.000 0.770 334 P CB -0.224 31.592 31.700 0.194 0.000 0.786 335 N N -2.960 115.902 118.700 0.270 0.000 2.365 335 N HA 0.160 4.900 4.740 -0.000 0.000 0.257 335 N C -0.891 174.779 175.510 0.265 0.000 1.287 335 N CA -0.792 52.386 53.050 0.213 0.000 0.882 335 N CB -0.016 38.568 38.487 0.161 0.000 1.250 335 N HN 0.028 nan 8.380 nan 0.000 0.507 336 W N 2.513 123.895 121.300 0.137 0.000 2.957 336 W HA 0.448 5.108 4.660 -0.000 0.000 0.336 336 W C -2.302 174.289 176.519 0.120 0.000 1.087 336 W CA -1.746 55.664 57.345 0.109 0.000 1.235 336 W CB 1.981 31.498 29.460 0.094 0.000 1.399 336 W HN -0.188 nan 8.180 nan 0.000 0.480 337 P HA -0.033 nan 4.420 nan 0.000 0.225 337 P C 0.373 177.397 177.300 -0.459 0.000 1.156 337 P CA 1.284 63.606 63.100 -1.295 0.000 0.787 337 P CB 0.486 31.447 31.700 -1.231 0.000 0.802 338 T N -5.393 109.031 114.554 -0.218 0.000 2.907 338 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 338 T C -2.498 172.208 174.700 0.009 0.000 1.066 338 T CA -2.212 59.838 62.100 -0.083 0.000 1.012 338 T CB 1.984 70.804 68.868 -0.080 0.000 1.184 338 T HN -0.354 nan 8.240 nan 0.000 0.522 339 P HA 0.139 nan 4.420 nan 0.000 0.225 339 P C 1.057 178.406 177.300 0.082 0.000 1.148 339 P CA 0.638 63.782 63.100 0.074 0.000 0.779 339 P CB -0.147 31.595 31.700 0.070 0.000 0.780 340 A N -0.988 121.862 122.820 0.049 0.000 2.251 340 A HA 0.015 4.335 4.320 -0.000 0.000 0.209 340 A C 2.142 179.745 177.584 0.032 0.000 1.187 340 A CA 0.307 52.369 52.037 0.042 0.000 0.823 340 A CB -0.748 18.260 19.000 0.013 0.000 0.846 340 A HN -0.079 nan 8.150 nan 0.000 0.486 341 R N 0.301 120.827 120.500 0.044 0.000 2.097 341 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 341 R C 2.000 178.317 176.300 0.027 0.000 1.135 341 R CA 2.532 58.655 56.100 0.038 0.000 0.934 341 R CB -0.746 29.626 30.300 0.120 0.000 0.846 341 R HN 0.563 nan 8.270 nan 0.000 0.431 342 M N -0.666 118.988 119.600 0.090 0.000 2.088 342 M HA -0.286 4.194 4.480 -0.000 0.000 0.256 342 M C 2.077 178.473 176.300 0.160 0.000 1.071 342 M CA 2.391 57.781 55.300 0.151 0.000 1.097 342 M CB -0.335 32.324 32.600 0.099 0.000 1.315 342 M HN 0.367 nan 8.290 nan 0.000 0.406 343 C N 0.299 119.651 119.300 0.088 0.000 2.432 343 C HA -0.116 4.344 4.460 -0.000 0.000 0.280 343 C C 2.505 177.503 174.990 0.012 0.000 1.353 343 C CA 0.828 59.878 59.018 0.053 0.000 1.766 343 C CB -1.294 26.458 27.740 0.019 0.000 1.924 343 C HN 0.639 nan 8.230 nan 0.000 0.509 344 Q N 0.030 119.820 119.800 -0.015 0.000 2.119 344 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 344 Q C 2.358 178.288 176.000 -0.117 0.000 0.972 344 Q CA 1.298 57.062 55.803 -0.066 0.000 0.847 344 Q CB -0.147 28.547 28.738 -0.072 0.000 0.903 344 Q HN 0.569 nan 8.270 nan 0.000 0.433 345 V N 0.154 119.987 119.914 -0.136 0.000 2.295 345 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 345 V C 2.223 178.220 176.094 -0.161 0.000 1.049 345 V CA 1.410 63.551 62.300 -0.264 0.000 1.024 345 V CB -0.495 30.999 31.823 -0.548 0.000 0.648 345 V HN 0.196 nan 8.190 nan 0.000 0.447 346 V N 0.418 120.344 119.914 0.020 0.000 2.324 346 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 346 V C 2.272 178.364 176.094 -0.003 0.000 1.060 346 V CA 2.419 64.769 62.300 0.082 0.000 1.042 346 V CB -0.683 31.213 31.823 0.122 0.000 0.650 346 V HN 0.600 nan 8.190 nan 0.000 0.450 347 D N -0.582 119.789 120.400 -0.049 0.000 2.123 347 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 347 D C 2.157 178.386 176.300 -0.118 0.000 0.976 347 D CA 1.160 55.119 54.000 -0.068 0.000 0.831 347 D CB -0.241 40.517 40.800 -0.070 0.000 0.974 347 D HN 0.408 nan 8.370 nan 0.000 0.469 348 K N 0.175 120.445 120.400 -0.216 0.000 2.063 348 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 348 K C 1.137 177.473 176.600 -0.440 0.000 1.048 348 K CA 1.228 57.286 56.287 -0.381 0.000 0.928 348 K CB 0.092 32.239 32.500 -0.588 0.000 0.713 348 K HN 0.248 nan 8.250 nan 0.000 0.442 349 H N -0.063 118.956 119.070 -0.085 0.000 2.594 349 H HA 0.141 4.697 4.556 -0.000 0.000 0.279 349 H C -0.118 175.199 175.328 -0.017 0.000 1.042 349 H CA 0.022 56.036 56.048 -0.057 0.000 1.177 349 H CB 0.886 30.557 29.762 -0.152 0.000 1.524 349 H HN 0.230 nan 8.280 nan 0.000 0.537 350 Q N 0.306 120.137 119.800 0.052 0.000 2.453 350 Q HA -0.138 4.202 4.340 -0.000 0.000 0.294 350 Q C -0.029 176.021 176.000 0.083 0.000 1.295 350 Q CA 0.240 56.074 55.803 0.053 0.000 0.853 350 Q CB -2.319 26.452 28.738 0.054 0.000 1.193 350 Q HN 0.201 nan 8.270 nan 0.000 0.461 351 V N 0.867 120.841 119.914 0.100 0.000 2.617 351 V HA -0.139 3.981 4.120 -0.000 0.000 0.304 351 V C 1.613 177.777 176.094 0.117 0.000 1.040 351 V CA 1.401 63.785 62.300 0.139 0.000 1.149 351 V CB 0.450 32.405 31.823 0.221 0.000 0.914 351 V HN 0.472 nan 8.190 nan 0.000 0.487 352 N N 3.378 122.159 118.700 0.134 0.000 2.368 352 N HA 0.342 5.082 4.740 -0.000 0.000 0.178 352 N C -0.186 175.397 175.510 0.120 0.000 1.076 352 N CA 0.071 53.187 53.050 0.110 0.000 0.889 352 N CB 0.527 39.086 38.487 0.119 0.000 1.040 352 N HN 0.582 nan 8.380 nan 0.000 0.463 353 I N 1.676 122.339 120.570 0.154 0.000 2.468 353 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 353 I C -1.550 174.581 176.117 0.023 0.000 1.039 353 I CA -0.852 60.529 61.300 0.135 0.000 1.074 353 I CB 2.132 40.284 38.000 0.254 0.000 1.228 353 I HN -0.082 nan 8.210 nan 0.000 0.436 354 L N 7.947 129.186 121.223 0.027 0.000 2.298 354 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 354 L C -1.550 175.349 176.870 0.049 0.000 1.013 354 L CA -0.367 54.447 54.840 -0.043 0.000 0.824 354 L CB 0.916 42.961 42.059 -0.025 0.000 1.221 354 L HN 0.441 nan 8.230 nan 0.000 0.418 355 Y N 4.747 124.892 120.300 -0.257 0.000 2.345 355 Y HA 0.672 5.222 4.550 -0.000 0.000 0.331 355 Y C -0.233 175.590 175.900 -0.128 0.000 0.959 355 Y CA -0.281 57.776 58.100 -0.071 0.000 1.204 355 Y CB 1.215 39.648 38.460 -0.045 0.000 1.135 355 Y HN 0.801 nan 8.280 nan 0.000 0.477 356 T N 3.360 117.774 114.554 -0.232 0.000 2.626 356 T HA 0.906 5.255 4.350 -0.000 0.000 0.279 356 T C -1.452 173.038 174.700 -0.349 0.000 0.983 356 T CA -0.175 61.715 62.100 -0.351 0.000 1.059 356 T CB 0.970 69.657 68.868 -0.303 0.000 1.396 356 T HN 0.733 nan 8.240 nan 0.000 0.519 357 A N 0.987 123.632 122.820 -0.291 0.000 2.355 357 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 357 A C -2.166 175.275 177.584 -0.239 0.000 1.117 357 A CA -1.652 50.233 52.037 -0.253 0.000 0.785 357 A CB 1.094 19.955 19.000 -0.230 0.000 1.254 357 A HN 0.587 nan 8.150 nan 0.000 0.453 358 P HA -0.159 nan 4.420 nan 0.000 0.216 358 P C 1.545 178.763 177.300 -0.136 0.000 1.153 358 P CA 2.213 65.218 63.100 -0.157 0.000 0.858 358 P CB 0.122 31.771 31.700 -0.084 0.000 0.789 359 T N -0.631 113.845 114.554 -0.129 0.000 2.665 359 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 359 T C 1.864 176.511 174.700 -0.088 0.000 1.035 359 T CA 1.873 63.913 62.100 -0.100 0.000 1.151 359 T CB -1.003 67.794 68.868 -0.118 0.000 0.862 359 T HN 0.076 nan 8.240 nan 0.000 0.438 360 A N 0.806 123.567 122.820 -0.099 0.000 1.902 360 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 360 A C 2.287 179.824 177.584 -0.078 0.000 1.181 360 A CA 1.196 53.195 52.037 -0.064 0.000 0.623 360 A CB -0.747 18.216 19.000 -0.063 0.000 0.818 360 A HN 0.539 nan 8.150 nan 0.000 0.443 361 I N -0.855 119.637 120.570 -0.130 0.000 2.179 361 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 361 I C 2.781 178.767 176.117 -0.218 0.000 1.088 361 I CA 1.468 62.696 61.300 -0.120 0.000 1.357 361 I CB -0.311 37.560 38.000 -0.215 0.000 1.051 361 I HN 0.285 nan 8.210 nan 0.000 0.409 362 R N 0.584 120.971 120.500 -0.188 0.000 2.092 362 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 362 R C 2.455 178.627 176.300 -0.212 0.000 1.119 362 R CA 1.258 57.227 56.100 -0.219 0.000 0.970 362 R CB -0.418 29.808 30.300 -0.124 0.000 0.864 362 R HN 0.356 nan 8.270 nan 0.000 0.440 363 A N 1.291 124.034 122.820 -0.129 0.000 1.902 363 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 363 A C 2.130 179.654 177.584 -0.099 0.000 1.181 363 A CA 1.217 53.209 52.037 -0.075 0.000 0.623 363 A CB -0.437 18.554 19.000 -0.016 0.000 0.818 363 A HN 0.172 nan 8.150 nan 0.000 0.443 364 L N -1.514 119.634 121.223 -0.124 0.000 2.179 364 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 364 L C 2.721 179.398 176.870 -0.322 0.000 1.096 364 L CA 1.220 56.008 54.840 -0.086 0.000 0.779 364 L CB -0.385 41.726 42.059 0.086 0.000 0.922 364 L HN 0.550 nan 8.230 nan 0.000 0.443 365 M N 0.218 119.337 119.600 -0.801 0.000 2.202 365 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 365 M C 2.185 178.135 176.300 -0.585 0.000 1.063 365 M CA 1.918 56.403 55.300 -1.359 0.000 1.097 365 M CB -0.085 31.686 32.600 -1.383 0.000 1.382 365 M HN 0.231 nan 8.290 nan 0.000 0.413 366 A N -0.231 122.387 122.820 -0.335 0.000 2.121 366 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 366 A C 1.632 179.161 177.584 -0.091 0.000 1.154 366 A CA 1.285 53.218 52.037 -0.173 0.000 0.679 366 A CB -0.433 18.497 19.000 -0.118 0.000 0.795 366 A HN 0.569 nan 8.150 nan 0.000 0.458 367 E N -0.749 119.408 120.200 -0.071 0.000 2.474 367 E HA 0.269 4.619 4.350 -0.000 0.000 0.195 367 E C 1.432 178.073 176.600 0.068 0.000 1.039 367 E CA 0.545 56.952 56.400 0.011 0.000 0.881 367 E CB -0.386 29.336 29.700 0.038 0.000 0.970 367 E HN 0.595 nan 8.360 nan 0.000 0.486 368 G N 2.343 111.195 108.800 0.087 0.000 2.574 368 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.286 368 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.286 368 G C 0.490 175.577 174.900 0.312 0.000 1.212 368 G CA 0.433 45.666 45.100 0.222 0.000 0.979 368 G HN 0.241 nan 8.290 nan 0.000 0.557 369 D N 0.767 121.289 120.400 0.203 0.000 2.371 369 D HA 0.070 4.710 4.640 -0.000 0.000 0.221 369 D C 2.281 178.644 176.300 0.106 0.000 0.986 369 D CA 0.951 55.034 54.000 0.139 0.000 0.899 369 D CB -0.054 40.790 40.800 0.074 0.000 0.902 369 D HN 0.548 nan 8.370 nan 0.000 0.530 370 K N 0.268 120.731 120.400 0.106 0.000 2.360 370 K HA -0.005 4.315 4.320 -0.000 0.000 0.201 370 K C 1.735 178.389 176.600 0.089 0.000 1.046 370 K CA 0.791 57.122 56.287 0.074 0.000 0.945 370 K CB 0.118 32.654 32.500 0.060 0.000 0.750 370 K HN 0.052 nan 8.250 nan 0.000 0.464 371 A N 1.054 123.966 122.820 0.152 0.000 2.169 371 A HA 0.029 4.349 4.320 -0.000 0.000 0.212 371 A C 1.711 179.360 177.584 0.110 0.000 1.153 371 A CA 0.553 52.696 52.037 0.178 0.000 0.756 371 A CB -0.361 18.855 19.000 0.360 0.000 0.813 371 A HN 0.456 nan 8.150 nan 0.000 0.471 372 I N -4.551 116.056 120.570 0.061 0.000 4.442 372 I HA 0.320 4.490 4.170 -0.000 0.000 0.331 372 I C 0.251 176.361 176.117 -0.012 0.000 1.364 372 I CA -0.294 61.004 61.300 -0.002 0.000 1.207 372 I CB 0.025 37.987 38.000 -0.062 0.000 1.298 372 I HN 0.078 nan 8.210 nan 0.000 0.463 373 E N 2.715 122.918 120.200 0.005 0.000 2.415 373 E HA 0.243 4.593 4.350 -0.000 0.000 0.260 373 E C 1.314 177.904 176.600 -0.017 0.000 1.016 373 E CA 1.144 57.541 56.400 -0.005 0.000 0.924 373 E CB 0.231 29.933 29.700 0.004 0.000 0.961 373 E HN 0.611 nan 8.360 nan 0.000 0.459 374 G N 3.317 112.101 108.800 -0.025 0.000 2.179 374 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 374 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 374 G C 0.303 175.180 174.900 -0.037 0.000 0.977 374 G CA 0.558 45.640 45.100 -0.031 0.000 0.641 374 G HN 0.756 nan 8.290 nan 0.000 0.533 375 T N -2.754 111.777 114.554 -0.039 0.000 2.943 375 T HA 0.686 5.036 4.350 -0.000 0.000 0.284 375 T C 0.519 175.187 174.700 -0.053 0.000 1.015 375 T CA 0.357 62.430 62.100 -0.044 0.000 1.042 375 T CB 2.537 71.382 68.868 -0.039 0.000 1.055 375 T HN -0.015 nan 8.240 nan 0.000 0.500 376 D N 0.226 120.594 120.400 -0.054 0.000 2.355 376 D HA 0.148 4.788 4.640 -0.000 0.000 0.233 376 D C 1.157 177.416 176.300 -0.069 0.000 0.997 376 D CA 0.264 54.230 54.000 -0.058 0.000 0.920 376 D CB 0.119 40.889 40.800 -0.050 0.000 1.063 376 D HN 0.737 nan 8.370 nan 0.000 0.465 377 R N -1.246 119.217 120.500 -0.062 0.000 3.994 377 R HA -0.166 4.174 4.340 -0.000 0.000 0.403 377 R C 1.300 177.555 176.300 -0.076 0.000 1.126 377 R CA 0.710 56.768 56.100 -0.070 0.000 1.143 377 R CB -2.114 28.123 30.300 -0.104 0.000 1.695 377 R HN 0.082 nan 8.270 nan 0.000 0.555 378 S N -0.209 115.452 115.700 -0.064 0.000 2.447 378 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 378 S C 1.778 176.351 174.600 -0.045 0.000 1.006 378 S CA 1.321 59.485 58.200 -0.061 0.000 0.957 378 S CB 0.016 63.185 63.200 -0.052 0.000 0.773 378 S HN 0.655 nan 8.310 nan 0.000 0.507 379 S N 1.227 116.911 115.700 -0.028 0.000 2.453 379 S HA 0.109 4.579 4.470 -0.000 0.000 0.231 379 S C 0.627 175.226 174.600 -0.002 0.000 1.005 379 S CA 0.080 58.276 58.200 -0.007 0.000 0.949 379 S CB -0.655 62.553 63.200 0.013 0.000 0.774 379 S HN 0.363 nan 8.310 nan 0.000 0.510 380 L N 1.619 122.830 121.223 -0.020 0.000 2.455 380 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 380 L C 1.697 178.546 176.870 -0.035 0.000 1.174 380 L CA -0.057 54.769 54.840 -0.024 0.000 0.869 380 L CB 0.418 42.437 42.059 -0.068 0.000 1.130 380 L HN 0.221 nan 8.230 nan 0.000 0.474 381 R N 2.619 123.116 120.500 -0.006 0.000 2.470 381 R HA 0.391 4.731 4.340 -0.000 0.000 0.210 381 R C -0.422 175.887 176.300 0.015 0.000 0.873 381 R CA -0.029 56.069 56.100 -0.004 0.000 1.015 381 R CB 1.016 31.321 30.300 0.008 0.000 1.348 381 R HN 0.394 nan 8.270 nan 0.000 0.650 382 I N 1.820 122.420 120.570 0.050 0.000 2.582 382 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 382 I C -0.664 175.505 176.117 0.087 0.000 1.066 382 I CA -0.640 60.713 61.300 0.089 0.000 1.053 382 I CB 2.113 40.220 38.000 0.179 0.000 1.241 382 I HN 0.008 nan 8.210 nan 0.000 0.421 383 L N 3.821 125.080 121.223 0.060 0.000 2.319 383 L HA 0.921 5.261 4.340 -0.000 0.000 0.267 383 L C 0.251 177.273 176.870 0.253 0.000 1.011 383 L CA -0.548 54.332 54.840 0.067 0.000 0.818 383 L CB 2.482 44.387 42.059 -0.257 0.000 1.316 383 L HN 0.748 nan 8.230 nan 0.000 0.432 384 G N -0.235 108.825 108.800 0.432 0.000 2.659 384 G HA2 0.562 4.522 3.960 -0.000 0.000 0.296 384 G HA3 0.562 4.522 3.960 -0.000 0.000 0.296 384 G C -1.884 173.300 174.900 0.472 0.000 1.369 384 G CA -0.318 45.117 45.100 0.559 0.000 0.937 384 G HN 0.397 nan 8.290 nan 0.000 0.485 385 S N -0.767 115.142 115.700 0.348 0.000 2.547 385 S HA 0.793 5.263 4.470 -0.000 0.000 0.281 385 S C -1.236 173.435 174.600 0.118 0.000 1.118 385 S CA -0.570 57.688 58.200 0.098 0.000 0.947 385 S CB 1.754 64.996 63.200 0.069 0.000 1.053 385 S HN 1.578 nan 8.310 nan 0.000 0.482 386 V N 3.745 123.628 119.914 -0.051 0.000 3.204 386 V HA 0.763 4.883 4.120 -0.000 0.000 0.298 386 V C 0.697 176.732 176.094 -0.098 0.000 1.328 386 V CA 0.704 63.008 62.300 0.007 0.000 1.035 386 V CB 1.361 33.230 31.823 0.077 0.000 1.095 386 V HN 1.692 nan 8.190 nan 0.000 0.442 387 G N 3.083 111.820 108.800 -0.105 0.000 2.258 387 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.233 387 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.233 387 G C -0.007 174.815 174.900 -0.129 0.000 1.006 387 G CA 1.007 45.992 45.100 -0.191 0.000 0.620 387 G HN 1.810 nan 8.290 nan 0.000 0.511 388 E N -0.683 119.486 120.200 -0.052 0.000 2.409 388 E HA 0.523 4.873 4.350 -0.000 0.000 0.280 388 E C -3.333 173.292 176.600 0.043 0.000 1.079 388 E CA -1.833 54.562 56.400 -0.009 0.000 0.840 388 E CB 0.703 30.368 29.700 -0.058 0.000 1.309 388 E HN 0.084 nan 8.360 nan 0.000 0.447 389 P HA 0.205 nan 4.420 nan 0.000 0.270 389 P C -0.746 176.603 177.300 0.082 0.000 1.227 389 P CA -0.144 63.012 63.100 0.093 0.000 0.788 389 P CB 0.456 32.212 31.700 0.094 0.000 0.926 390 I N 1.180 121.822 120.570 0.119 0.000 2.500 390 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 390 I C -0.642 175.581 176.117 0.177 0.000 1.063 390 I CA -1.084 60.300 61.300 0.140 0.000 1.062 390 I CB 1.223 39.336 38.000 0.187 0.000 1.223 390 I HN 0.366 nan 8.210 nan 0.000 0.435 391 N N 7.306 126.096 118.700 0.150 0.000 2.482 391 N HA 0.342 5.082 4.740 -0.000 0.000 0.260 391 N C -2.323 173.311 175.510 0.207 0.000 1.236 391 N CA -1.138 52.000 53.050 0.148 0.000 0.938 391 N CB 0.315 38.863 38.487 0.101 0.000 1.128 391 N HN 0.256 nan 8.380 nan 0.000 0.448 392 P HA -0.242 nan 4.420 nan 0.000 0.216 392 P C 1.014 178.477 177.300 0.272 0.000 1.150 392 P CA 1.358 64.572 63.100 0.191 0.000 0.843 392 P CB 0.117 31.877 31.700 0.100 0.000 0.787 393 E N -0.329 119.996 120.200 0.208 0.000 2.038 393 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 393 E C 1.935 178.711 176.600 0.293 0.000 1.000 393 E CA 1.502 58.032 56.400 0.217 0.000 0.803 393 E CB -0.571 29.208 29.700 0.133 0.000 0.750 393 E HN 0.080 nan 8.360 nan 0.000 0.448 394 A N 0.457 123.424 122.820 0.246 0.000 1.898 394 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 394 A C 1.905 179.733 177.584 0.406 0.000 1.181 394 A CA 1.344 53.538 52.037 0.262 0.000 0.620 394 A CB -1.260 17.816 19.000 0.125 0.000 0.819 394 A HN 0.687 nan 8.150 nan 0.000 0.442 395 W N 0.889 122.317 121.300 0.213 0.000 2.335 395 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 395 W C 2.567 179.269 176.519 0.305 0.000 1.213 395 W CA 3.441 60.926 57.345 0.235 0.000 1.274 395 W CB -0.201 29.326 29.460 0.112 0.000 1.148 395 W HN 0.446 nan 8.180 nan 0.000 0.498 396 E N -0.537 120.060 120.200 0.663 0.000 2.047 396 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 396 E C 1.490 178.362 176.600 0.453 0.000 0.987 396 E CA 1.363 58.118 56.400 0.591 0.000 0.799 396 E CB -1.797 28.211 29.700 0.514 0.000 0.752 396 E HN 0.588 nan 8.360 nan 0.000 0.449 397 W N -0.153 121.297 121.300 0.251 0.000 2.318 397 W HA -0.258 4.402 4.660 -0.000 0.000 0.313 397 W C 2.246 178.854 176.519 0.148 0.000 1.221 397 W CA 2.376 59.823 57.345 0.171 0.000 1.266 397 W CB -0.478 29.065 29.460 0.137 0.000 1.150 397 W HN 0.401 nan 8.180 nan 0.000 0.496 398 Y N -0.417 120.040 120.300 0.261 0.000 2.145 398 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 398 Y C 2.183 177.960 175.900 -0.205 0.000 1.145 398 Y CA 2.291 60.403 58.100 0.020 0.000 1.148 398 Y CB -1.569 36.928 38.460 0.062 0.000 0.981 398 Y HN 0.184 nan 8.280 nan 0.000 0.507 399 W N 1.643 122.662 121.300 -0.468 0.000 2.374 399 W HA -0.137 4.523 4.660 -0.000 0.000 0.288 399 W C 2.344 178.620 176.519 -0.405 0.000 1.218 399 W CA 2.436 59.405 57.345 -0.627 0.000 1.245 399 W CB -0.249 28.703 29.460 -0.845 0.000 1.126 399 W HN 0.016 nan 8.180 nan 0.000 0.545 400 K N 0.036 120.218 120.400 -0.363 0.000 2.078 400 K HA -0.087 4.232 4.320 -0.000 0.000 0.203 400 K C 2.084 178.357 176.600 -0.545 0.000 1.043 400 K CA 0.852 56.816 56.287 -0.537 0.000 0.960 400 K CB -0.144 32.225 32.500 -0.218 0.000 0.761 400 K HN -0.124 nan 8.250 nan 0.000 0.448 401 K N 0.869 120.879 120.400 -0.649 0.000 2.103 401 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 401 K C 2.104 178.373 176.600 -0.552 0.000 1.052 401 K CA 0.830 56.694 56.287 -0.704 0.000 0.945 401 K CB 0.008 31.749 32.500 -1.264 0.000 0.722 401 K HN 0.235 nan 8.250 nan 0.000 0.443 402 I N -0.454 119.784 120.570 -0.553 0.000 2.556 402 I HA 0.000 4.170 4.170 -0.000 0.000 0.251 402 I C 2.098 177.973 176.117 -0.403 0.000 1.105 402 I CA 1.148 62.208 61.300 -0.401 0.000 1.436 402 I CB -1.428 36.359 38.000 -0.354 0.000 1.139 402 I HN 0.062 nan 8.210 nan 0.000 0.438 403 G N 0.309 108.795 108.800 -0.523 0.000 2.985 403 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.209 403 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.209 403 G C 0.857 175.469 174.900 -0.481 0.000 1.165 403 G CA -0.125 44.687 45.100 -0.479 0.000 0.776 403 G HN 0.394 nan 8.290 nan 0.000 0.541 404 K N -0.009 120.095 120.400 -0.494 0.000 3.020 404 K HA -0.232 4.088 4.320 -0.000 0.000 0.266 404 K C 0.482 176.747 176.600 -0.557 0.000 1.067 404 K CA 0.830 56.855 56.287 -0.438 0.000 0.780 404 K CB -1.336 30.991 32.500 -0.288 0.000 1.220 404 K HN 0.602 nan 8.250 nan 0.000 0.483 405 E N -2.043 117.578 120.200 -0.965 0.000 2.971 405 E HA -0.305 4.045 4.350 -0.000 0.000 0.278 405 E C 0.037 176.270 176.600 -0.612 0.000 1.009 405 E CA 1.558 57.117 56.400 -1.402 0.000 0.862 405 E CB -0.752 28.345 29.700 -1.006 0.000 1.436 405 E HN 0.569 nan 8.360 nan 0.000 0.434 406 K N -0.712 119.433 120.400 -0.425 0.000 2.438 406 K HA 0.228 4.548 4.320 -0.000 0.000 0.206 406 K C -0.260 176.292 176.600 -0.080 0.000 1.081 406 K CA 0.088 56.282 56.287 -0.155 0.000 1.053 406 K CB 1.072 33.488 32.500 -0.141 0.000 0.908 406 K HN 0.040 nan 8.250 nan 0.000 0.556 407 C N 2.406 121.624 119.300 -0.136 0.000 2.379 407 C HA 0.456 4.916 4.460 -0.000 0.000 0.323 407 C C -2.488 172.548 174.990 0.077 0.000 1.262 407 C CA -2.107 56.880 59.018 -0.052 0.000 1.581 407 C CB 1.126 28.779 27.740 -0.144 0.000 2.221 407 C HN 0.126 nan 8.230 nan 0.000 0.497 408 P HA 0.223 nan 4.420 nan 0.000 0.271 408 P C -0.781 176.573 177.300 0.089 0.000 1.216 408 P CA -0.049 63.139 63.100 0.146 0.000 0.776 408 P CB 0.504 32.273 31.700 0.114 0.000 0.881 409 V N 4.407 124.382 119.914 0.103 0.000 2.328 409 V HA 0.148 4.268 4.120 -0.000 0.000 0.278 409 V C 0.241 176.433 176.094 0.162 0.000 1.021 409 V CA -0.633 61.711 62.300 0.073 0.000 0.838 409 V CB 1.326 33.053 31.823 -0.159 0.000 0.999 409 V HN 0.348 nan 8.190 nan 0.000 0.447 410 V N 1.531 121.508 119.914 0.105 0.000 2.372 410 V HA 0.437 4.557 4.120 -0.000 0.000 0.261 410 V C 0.059 176.169 176.094 0.027 0.000 1.055 410 V CA -0.444 61.852 62.300 -0.007 0.000 0.930 410 V CB 1.145 32.841 31.823 -0.211 0.000 1.031 410 V HN 0.762 nan 8.190 nan 0.000 0.479 411 D N 5.294 125.726 120.400 0.053 0.000 2.422 411 D HA 0.220 4.860 4.640 -0.000 0.000 0.227 411 D C 0.625 176.922 176.300 -0.006 0.000 1.190 411 D CA -0.006 54.044 54.000 0.085 0.000 0.905 411 D CB 0.891 41.768 40.800 0.128 0.000 1.034 411 D HN 0.895 nan 8.370 nan 0.000 0.507 412 T N 1.429 115.956 114.554 -0.045 0.000 2.749 412 T HA 0.330 4.680 4.350 -0.000 0.000 0.295 412 T C -0.315 174.533 174.700 0.248 0.000 0.936 412 T CA -0.984 61.031 62.100 -0.141 0.000 1.060 412 T CB 0.413 68.830 68.868 -0.750 0.000 0.904 412 T HN 0.374 nan 8.240 nan 0.000 0.500 413 W N 7.836 129.223 121.300 0.145 0.000 2.433 413 W HA 0.682 5.342 4.660 -0.000 0.000 0.315 413 W C -1.359 175.441 176.519 0.468 0.000 1.087 413 W CA -0.372 57.115 57.345 0.238 0.000 1.205 413 W CB 0.895 30.416 29.460 0.102 0.000 1.288 413 W HN 0.903 nan 8.180 nan 0.000 0.504 414 W N 4.214 124.890 121.300 -1.039 0.000 2.804 414 W HA 0.471 5.131 4.660 -0.000 0.000 0.420 414 W C -1.976 174.136 176.519 -0.679 0.000 1.049 414 W CA -1.097 55.690 57.345 -0.929 0.000 1.133 414 W CB 0.041 29.409 29.460 -0.154 0.000 1.478 414 W HN 0.482 nan 8.180 nan 0.000 0.581 415 Q N -0.377 119.255 119.800 -0.280 0.000 2.553 415 Q HA 0.391 4.731 4.340 -0.000 0.000 0.293 415 Q C 0.590 176.590 176.000 -0.000 0.000 1.038 415 Q CA -0.742 54.901 55.803 -0.266 0.000 0.777 415 Q CB 2.735 31.423 28.738 -0.084 0.000 1.487 415 Q HN 0.357 nan 8.270 nan 0.000 0.426 416 T N 0.406 114.955 114.554 -0.009 0.000 2.737 416 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 416 T C 0.978 175.897 174.700 0.365 0.000 1.040 416 T CA 2.094 64.307 62.100 0.189 0.000 1.142 416 T CB -0.083 68.874 68.868 0.149 0.000 0.861 416 T HN 0.510 nan 8.240 nan 0.000 0.456 417 E N 0.742 121.086 120.200 0.241 0.000 2.347 417 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 417 E C 2.293 179.065 176.600 0.288 0.000 1.008 417 E CA 1.171 57.673 56.400 0.169 0.000 0.852 417 E CB -0.180 29.556 29.700 0.061 0.000 0.783 417 E HN 0.682 nan 8.360 nan 0.000 0.505 418 T N -4.204 110.636 114.554 0.476 0.000 3.069 418 T HA 0.314 4.664 4.350 -0.000 0.000 0.252 418 T C 1.783 176.942 174.700 0.766 0.000 1.053 418 T CA 0.322 62.850 62.100 0.714 0.000 0.964 418 T CB 0.421 69.575 68.868 0.477 0.000 1.005 418 T HN 0.210 nan 8.240 nan 0.000 0.532 419 G N 0.831 110.097 108.800 0.777 0.000 2.530 419 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.247 419 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.247 419 G C 0.533 175.724 174.900 0.485 0.000 1.067 419 G CA 0.178 45.631 45.100 0.588 0.000 0.650 419 G HN 1.375 nan 8.290 nan 0.000 0.531 420 G N -1.772 107.283 108.800 0.425 0.000 2.687 420 G HA2 0.610 4.570 3.960 -0.000 0.000 0.291 420 G HA3 0.610 4.570 3.960 -0.000 0.000 0.291 420 G C -0.261 174.550 174.900 -0.149 0.000 1.420 420 G CA -0.763 44.282 45.100 -0.091 0.000 0.796 420 G HN 0.535 nan 8.290 nan 0.000 0.485 421 F N 0.988 120.547 119.950 -0.651 0.000 2.635 421 F HA -0.006 4.521 4.527 -0.000 0.000 0.379 421 F C 1.666 177.383 175.800 -0.139 0.000 1.094 421 F CA -0.203 57.432 58.000 -0.607 0.000 1.300 421 F CB 0.540 39.068 39.000 -0.786 0.000 1.035 421 F HN 0.098 nan 8.300 nan 0.000 0.581 422 M N 3.208 122.942 119.600 0.223 0.000 3.101 422 M HA 0.295 4.775 4.480 -0.000 0.000 0.236 422 M C 0.260 176.742 176.300 0.304 0.000 1.538 422 M CA 0.786 56.227 55.300 0.235 0.000 1.309 422 M CB 0.151 32.861 32.600 0.183 0.000 1.141 422 M HN 0.321 nan 8.290 nan 0.000 0.579 423 I N 0.678 121.480 120.570 0.388 0.000 2.382 423 I HA 0.406 4.576 4.170 -0.000 0.000 0.286 423 I C -0.293 175.886 176.117 0.102 0.000 1.002 423 I CA -0.236 61.179 61.300 0.191 0.000 1.135 423 I CB 1.766 39.823 38.000 0.095 0.000 1.288 423 I HN 0.161 nan 8.210 nan 0.000 0.448 424 T N 7.179 121.715 114.554 -0.030 0.000 2.830 424 T HA 0.472 4.822 4.350 -0.000 0.000 0.322 424 T C -3.011 171.560 174.700 -0.215 0.000 1.501 424 T CA -1.142 60.868 62.100 -0.151 0.000 1.036 424 T CB 2.304 70.996 68.868 -0.294 0.000 1.379 424 T HN 0.286 nan 8.240 nan 0.000 0.493 425 P HA 0.604 nan 4.420 nan 0.000 0.283 425 P C -1.316 175.848 177.300 -0.227 0.000 1.271 425 P CA -0.700 62.238 63.100 -0.270 0.000 0.841 425 P CB 1.133 32.712 31.700 -0.203 0.000 1.122 426 L N 3.399 124.491 121.223 -0.219 0.000 2.307 426 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 426 L C -1.057 175.769 176.870 -0.073 0.000 1.023 426 L CA -2.194 52.573 54.840 -0.122 0.000 0.810 426 L CB 1.288 43.292 42.059 -0.091 0.000 1.231 426 L HN 0.283 nan 8.230 nan 0.000 0.423 427 P HA -0.161 nan 4.420 nan 0.000 0.216 427 P C 0.826 178.148 177.300 0.036 0.000 1.157 427 P CA 1.562 64.675 63.100 0.023 0.000 0.880 427 P CB 0.314 32.047 31.700 0.054 0.000 0.791 428 G N -1.831 106.997 108.800 0.046 0.000 3.523 428 G HA2 0.400 4.360 3.960 -0.000 0.000 0.270 428 G HA3 0.400 4.360 3.960 -0.000 0.000 0.270 428 G C 0.990 175.912 174.900 0.038 0.000 1.134 428 G CA 0.562 45.694 45.100 0.052 0.000 0.825 428 G HN 0.450 nan 8.290 nan 0.000 0.534 429 A N -0.248 122.572 122.820 -0.001 0.000 2.150 429 A HA 0.551 4.871 4.320 -0.000 0.000 0.191 429 A C 0.335 177.867 177.584 -0.086 0.000 1.591 429 A CA 0.125 52.149 52.037 -0.021 0.000 1.142 429 A CB 0.609 19.600 19.000 -0.016 0.000 1.326 429 A HN 0.218 nan 8.150 nan 0.000 0.470 430 I N 1.694 122.187 120.570 -0.127 0.000 2.436 430 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 430 I C -0.709 175.395 176.117 -0.023 0.000 1.010 430 I CA -0.503 60.709 61.300 -0.146 0.000 1.098 430 I CB 1.962 39.760 38.000 -0.336 0.000 1.266 430 I HN 0.206 nan 8.210 nan 0.000 0.434 431 E N 6.238 126.476 120.200 0.063 0.000 2.392 431 E HA 0.268 4.618 4.350 -0.000 0.000 0.264 431 E C -0.839 175.852 176.600 0.152 0.000 1.024 431 E CA -0.251 56.212 56.400 0.105 0.000 0.903 431 E CB 1.078 30.835 29.700 0.094 0.000 0.963 431 E HN 0.400 nan 8.360 nan 0.000 0.432 432 L N 2.845 124.138 121.223 0.117 0.000 2.375 432 L HA 0.350 4.690 4.340 -0.000 0.000 0.271 432 L C 0.344 177.177 176.870 -0.061 0.000 1.107 432 L CA -0.300 54.581 54.840 0.070 0.000 0.806 432 L CB 0.490 42.623 42.059 0.123 0.000 1.146 432 L HN 0.282 nan 8.230 nan 0.000 0.447 433 K N 2.045 122.324 120.400 -0.201 0.000 2.463 433 K HA 0.511 4.831 4.320 -0.000 0.000 0.255 433 K C -0.652 175.503 176.600 -0.741 0.000 0.942 433 K CA -0.687 55.388 56.287 -0.353 0.000 0.814 433 K CB 2.148 34.501 32.500 -0.245 0.000 1.122 433 K HN 0.698 nan 8.250 nan 0.000 0.425 434 A N 1.711 123.867 122.820 -1.107 0.000 2.537 434 A HA 0.350 4.670 4.320 -0.000 0.000 0.260 434 A C 1.226 178.404 177.584 -0.676 0.000 1.082 434 A CA 1.300 52.337 52.037 -1.667 0.000 0.765 434 A CB -0.791 17.513 19.000 -1.160 0.000 1.019 434 A HN 1.032 nan 8.150 nan 0.000 0.507 435 G N 1.216 109.676 108.800 -0.567 0.000 2.175 435 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.244 435 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.244 435 G C 0.432 175.145 174.900 -0.312 0.000 0.982 435 G CA 0.500 45.532 45.100 -0.113 0.000 0.641 435 G HN 1.793 nan 8.290 nan 0.000 0.527 436 S N -0.191 115.082 115.700 -0.711 0.000 2.454 436 S HA 0.745 5.215 4.470 -0.000 0.000 0.306 436 S C 1.299 175.638 174.600 -0.436 0.000 1.100 436 S CA 0.622 58.239 58.200 -0.972 0.000 1.087 436 S CB 1.474 63.705 63.200 -1.616 0.000 1.019 436 S HN 1.516 nan 8.310 nan 0.000 0.480 437 A N 3.683 126.320 122.820 -0.305 0.000 2.168 437 A HA 0.267 4.587 4.320 -0.000 0.000 0.215 437 A C 1.427 178.879 177.584 -0.221 0.000 1.152 437 A CA 1.512 53.463 52.037 -0.142 0.000 0.716 437 A CB -1.434 17.565 19.000 -0.002 0.000 0.794 437 A HN 1.994 nan 8.150 nan 0.000 0.465 438 T N -2.448 111.901 114.554 -0.342 0.000 14.187 438 T HA -0.278 4.072 4.350 -0.000 0.000 0.419 438 T C 0.207 174.666 174.700 -0.400 0.000 1.441 438 T CA 1.187 62.941 62.100 -0.576 0.000 2.331 438 T CB -1.114 67.312 68.868 -0.736 0.000 2.757 438 T HN 0.771 nan 8.240 nan 0.000 0.233 439 R N 2.892 123.106 120.500 -0.477 0.000 2.573 439 R HA 0.654 4.994 4.340 -0.000 0.000 0.272 439 R C -2.261 173.940 176.300 -0.164 0.000 1.009 439 R CA -1.954 53.985 56.100 -0.268 0.000 1.059 439 R CB 0.864 30.932 30.300 -0.386 0.000 1.112 439 R HN 0.611 nan 8.270 nan 0.000 0.517 440 P HA -0.069 nan 4.420 nan 0.000 0.272 440 P C -0.798 176.582 177.300 0.133 0.000 1.223 440 P CA -0.009 63.098 63.100 0.013 0.000 0.784 440 P CB 0.530 32.254 31.700 0.039 0.000 0.923 441 F N 1.911 121.920 119.950 0.097 0.000 2.375 441 F HA 0.319 4.846 4.527 -0.000 0.000 0.313 441 F C 0.480 176.474 175.800 0.322 0.000 1.176 441 F CA -0.546 57.497 58.000 0.071 0.000 1.142 441 F CB 0.080 39.135 39.000 0.092 0.000 1.275 441 F HN 0.184 nan 8.300 nan 0.000 0.544 442 F N 2.026 121.698 119.950 -0.464 0.000 2.629 442 F HA 0.246 4.773 4.527 -0.000 0.000 0.369 442 F C 1.509 177.480 175.800 0.285 0.000 1.125 442 F CA 0.593 58.419 58.000 -0.290 0.000 1.330 442 F CB -0.162 38.404 39.000 -0.723 0.000 1.071 442 F HN 0.739 nan 8.300 nan 0.000 0.595 443 G N 1.621 110.605 108.800 0.306 0.000 2.189 443 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 443 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 443 G C -0.354 174.867 174.900 0.536 0.000 0.975 443 G CA 0.052 45.532 45.100 0.633 0.000 0.644 443 G HN 0.567 nan 8.290 nan 0.000 0.537 444 V N 1.221 121.408 119.914 0.455 0.000 2.347 444 V HA 0.463 4.583 4.120 -0.000 0.000 0.280 444 V C 0.223 176.513 176.094 0.326 0.000 1.021 444 V CA -0.341 62.153 62.300 0.323 0.000 0.847 444 V CB 1.608 33.582 31.823 0.252 0.000 0.990 444 V HN 0.382 nan 8.190 nan 0.000 0.444 445 Q N 6.980 126.945 119.800 0.276 0.000 2.560 445 Q HA 0.321 4.661 4.340 -0.000 0.000 0.238 445 Q C -2.473 173.657 176.000 0.216 0.000 1.079 445 Q CA -1.688 54.274 55.803 0.264 0.000 0.866 445 Q CB 1.899 30.779 28.738 0.237 0.000 1.153 445 Q HN 0.524 nan 8.270 nan 0.000 0.530 446 P HA 0.382 nan 4.420 nan 0.000 0.274 446 P C -0.951 176.429 177.300 0.134 0.000 1.246 446 P CA -0.163 62.954 63.100 0.029 0.000 0.795 446 P CB 1.324 32.810 31.700 -0.357 0.000 1.006 447 A N 1.094 123.997 122.820 0.137 0.000 2.605 447 A HA 0.610 4.930 4.320 -0.000 0.000 0.294 447 A C -1.578 176.078 177.584 0.120 0.000 1.062 447 A CA -0.677 51.459 52.037 0.165 0.000 0.682 447 A CB 0.804 19.884 19.000 0.133 0.000 1.278 447 A HN 0.398 nan 8.150 nan 0.000 0.410 448 L N 1.984 123.265 121.223 0.097 0.000 2.319 448 L HA 0.686 5.026 4.340 -0.000 0.000 0.281 448 L C -0.306 176.528 176.870 -0.060 0.000 1.005 448 L CA -1.055 53.802 54.840 0.028 0.000 0.828 448 L CB 1.547 43.643 42.059 0.061 0.000 1.227 448 L HN 0.712 nan 8.230 nan 0.000 0.415 449 V N -1.117 118.677 119.914 -0.199 0.000 2.769 449 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 449 V C -0.425 175.497 176.094 -0.288 0.000 1.061 449 V CA -0.922 61.206 62.300 -0.286 0.000 0.931 449 V CB 1.866 33.363 31.823 -0.544 0.000 1.010 449 V HN 0.746 nan 8.190 nan 0.000 0.433 450 D N 2.216 122.520 120.400 -0.160 0.000 2.356 450 D HA 0.114 4.754 4.640 -0.000 0.000 0.258 450 D C 0.692 176.945 176.300 -0.078 0.000 1.279 450 D CA -0.372 53.579 54.000 -0.082 0.000 1.016 450 D CB 0.087 40.890 40.800 0.005 0.000 1.107 450 D HN 0.426 nan 8.370 nan 0.000 0.544 451 N N -0.877 117.831 118.700 0.014 0.000 2.550 451 N HA -0.072 4.667 4.740 -0.000 0.000 0.186 451 N C 0.608 176.164 175.510 0.077 0.000 1.110 451 N CA 0.414 53.518 53.050 0.090 0.000 0.912 451 N CB 0.048 38.563 38.487 0.048 0.000 0.968 451 N HN 0.424 nan 8.380 nan 0.000 0.448 452 E N -0.647 119.534 120.200 -0.032 0.000 2.474 452 E HA 0.189 4.539 4.350 -0.000 0.000 0.194 452 E C 1.066 177.465 176.600 -0.336 0.000 1.041 452 E CA 0.185 56.476 56.400 -0.182 0.000 0.874 452 E CB 0.086 29.647 29.700 -0.230 0.000 0.914 452 E HN 0.319 nan 8.360 nan 0.000 0.498 453 G N 0.574 109.265 108.800 -0.182 0.000 2.157 453 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.239 453 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.239 453 G C -0.248 174.510 174.900 -0.237 0.000 0.982 453 G CA -0.120 44.895 45.100 -0.141 0.000 0.650 453 G HN 0.284 nan 8.290 nan 0.000 0.527 454 H N 1.646 120.700 119.070 -0.027 0.000 2.690 454 H HA 0.352 4.908 4.556 -0.000 0.000 0.314 454 H C -2.078 173.219 175.328 -0.052 0.000 1.069 454 H CA -1.521 54.514 56.048 -0.021 0.000 1.436 454 H CB 1.079 30.838 29.762 -0.004 0.000 1.462 454 H HN 0.240 nan 8.280 nan 0.000 0.511 455 P HA -0.009 nan 4.420 nan 0.000 0.268 455 P C -0.329 176.996 177.300 0.042 0.000 1.205 455 P CA -0.291 62.831 63.100 0.037 0.000 0.771 455 P CB 1.068 32.802 31.700 0.057 0.000 0.858 456 Q N 2.007 121.820 119.800 0.022 0.000 2.282 456 Q HA 0.349 4.689 4.340 -0.000 0.000 0.260 456 Q C 0.288 176.300 176.000 0.020 0.000 0.964 456 Q CA -0.410 55.404 55.803 0.017 0.000 0.880 456 Q CB 1.860 30.599 28.738 0.003 0.000 1.286 456 Q HN 0.467 nan 8.270 nan 0.000 0.445 457 E N 0.315 120.523 120.200 0.014 0.000 2.264 457 E HA 0.684 5.034 4.350 -0.000 0.000 0.260 457 E C 0.427 177.026 176.600 -0.003 0.000 0.961 457 E CA -0.557 55.851 56.400 0.014 0.000 0.834 457 E CB 1.504 31.215 29.700 0.018 0.000 1.230 457 E HN 0.719 nan 8.360 nan 0.000 0.412 458 G N 0.766 109.562 108.800 -0.006 0.000 2.645 458 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.246 458 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.246 458 G C -0.192 174.685 174.900 -0.039 0.000 1.322 458 G CA -0.304 44.785 45.100 -0.019 0.000 0.898 458 G HN 0.760 nan 8.290 nan 0.000 0.573 459 A N 0.018 122.811 122.820 -0.044 0.000 2.444 459 A HA 0.676 4.996 4.320 -0.000 0.000 0.287 459 A C 0.773 178.321 177.584 -0.059 0.000 1.195 459 A CA 1.932 53.933 52.037 -0.061 0.000 0.858 459 A CB -0.063 18.899 19.000 -0.064 0.000 1.117 459 A HN 2.184 nan 8.150 nan 0.000 0.521 460 T N 0.960 115.476 114.554 -0.062 0.000 2.626 460 T HA 0.628 4.978 4.350 -0.000 0.000 0.299 460 T C -1.964 172.710 174.700 -0.043 0.000 1.181 460 T CA -0.171 61.900 62.100 -0.048 0.000 1.053 460 T CB 1.230 70.080 68.868 -0.030 0.000 1.566 460 T HN 0.843 nan 8.240 nan 0.000 0.486 461 E N 0.214 120.398 120.200 -0.026 0.000 2.366 461 E HA 0.650 5.000 4.350 -0.000 0.000 0.278 461 E C -0.423 176.176 176.600 -0.001 0.000 0.923 461 E CA -0.887 55.507 56.400 -0.009 0.000 0.761 461 E CB 1.523 31.213 29.700 -0.017 0.000 1.231 461 E HN 1.064 nan 8.360 nan 0.000 0.443 462 G N 1.303 110.111 108.800 0.012 0.000 2.428 462 G HA2 0.176 4.136 3.960 -0.000 0.000 0.305 462 G HA3 0.176 4.136 3.960 -0.000 0.000 0.305 462 G C -1.291 173.619 174.900 0.016 0.000 1.260 462 G CA -0.937 44.161 45.100 -0.003 0.000 0.853 462 G HN 0.393 nan 8.290 nan 0.000 0.480 463 N N 0.813 119.489 118.700 -0.040 0.000 2.442 463 N HA 0.254 4.994 4.740 -0.000 0.000 0.265 463 N C -0.595 174.951 175.510 0.059 0.000 1.138 463 N CA -0.273 52.801 53.050 0.039 0.000 0.956 463 N CB 2.030 40.389 38.487 -0.212 0.000 1.067 463 N HN 0.366 nan 8.380 nan 0.000 0.474 464 L N 4.691 126.032 121.223 0.196 0.000 2.369 464 L HA 0.210 4.550 4.340 -0.000 0.000 0.279 464 L C -0.197 176.824 176.870 0.253 0.000 1.108 464 L CA -0.202 54.709 54.840 0.118 0.000 0.852 464 L CB 0.168 42.190 42.059 -0.062 0.000 1.169 464 L HN 0.317 nan 8.230 nan 0.000 0.452 465 V N 3.548 123.579 119.914 0.196 0.000 3.141 465 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 465 V C -0.593 175.690 176.094 0.315 0.000 1.157 465 V CA -0.925 61.555 62.300 0.300 0.000 1.041 465 V CB 2.352 34.303 31.823 0.214 0.000 1.071 465 V HN 0.471 nan 8.190 nan 0.000 0.441 466 I N 2.243 123.101 120.570 0.480 0.000 2.410 466 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 466 I C 1.360 177.843 176.117 0.610 0.000 1.009 466 I CA 0.127 61.720 61.300 0.490 0.000 1.111 466 I CB 1.405 39.724 38.000 0.531 0.000 1.262 466 I HN 1.002 nan 8.210 nan 0.000 0.443 467 T N 0.149 114.976 114.554 0.454 0.000 3.072 467 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 467 T C 0.490 175.428 174.700 0.397 0.000 1.127 467 T CA 0.658 63.016 62.100 0.430 0.000 1.107 467 T CB 0.337 69.369 68.868 0.273 0.000 0.910 467 T HN 0.548 nan 8.240 nan 0.000 0.513 468 D N -0.198 120.459 120.400 0.429 0.000 2.596 468 D HA 0.433 5.073 4.640 -0.000 0.000 0.262 468 D C -1.089 175.470 176.300 0.431 0.000 1.210 468 D CA -0.505 53.586 54.000 0.151 0.000 0.873 468 D CB 2.485 43.367 40.800 0.136 0.000 1.408 468 D HN 0.098 nan 8.370 nan 0.000 0.441 469 S N 0.042 115.832 115.700 0.149 0.000 2.624 469 S HA 0.672 5.142 4.470 -0.000 0.000 0.263 469 S C -0.991 174.006 174.600 0.663 0.000 1.287 469 S CA -0.425 58.031 58.200 0.427 0.000 0.990 469 S CB 0.337 63.672 63.200 0.224 0.000 0.950 469 S HN 0.370 nan 8.310 nan 0.000 0.561 470 W N 0.980 122.375 121.300 0.158 0.000 3.107 470 W HA 0.530 5.190 4.660 -0.000 0.000 0.331 470 W C -2.866 172.957 176.519 -1.160 0.000 1.204 470 W CA -2.005 55.095 57.345 -0.408 0.000 1.184 470 W CB -0.007 29.249 29.460 -0.341 0.000 1.421 470 W HN 0.361 nan 8.180 nan 0.000 0.544 471 P HA -0.163 nan 4.420 nan 0.000 0.217 471 P C 1.621 178.314 177.300 -1.012 0.000 1.158 471 P CA 3.176 65.057 63.100 -2.031 0.000 0.887 471 P CB 0.002 30.800 31.700 -1.503 0.000 0.792 472 G N -1.196 107.097 108.800 -0.845 0.000 3.124 472 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.212 472 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.212 472 G C 0.417 175.203 174.900 -0.191 0.000 1.181 472 G CA -0.169 44.745 45.100 -0.310 0.000 0.803 472 G HN 0.306 nan 8.290 nan 0.000 0.529 473 Q N 0.882 120.203 119.800 -0.798 0.000 2.332 473 Q HA 0.491 4.831 4.340 -0.000 0.000 0.263 473 Q C 0.407 176.247 176.000 -0.267 0.000 0.979 473 Q CA -0.628 54.714 55.803 -0.768 0.000 0.885 473 Q CB 0.779 28.520 28.738 -1.663 0.000 1.218 473 Q HN 0.174 nan 8.270 nan 0.000 0.405 474 A N 4.230 126.922 122.820 -0.213 0.000 2.546 474 A HA 0.007 4.327 4.320 -0.000 0.000 0.243 474 A C 0.551 178.003 177.584 -0.220 0.000 1.063 474 A CA -0.254 51.519 52.037 -0.440 0.000 0.757 474 A CB 0.341 19.066 19.000 -0.457 0.000 0.991 474 A HN 0.887 nan 8.150 nan 0.000 0.503 475 R N 0.667 120.960 120.500 -0.344 0.000 2.161 475 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 475 R C 0.795 176.656 176.300 -0.732 0.000 1.055 475 R CA 1.259 57.182 56.100 -0.295 0.000 0.996 475 R CB -0.762 29.414 30.300 -0.208 0.000 0.901 475 R HN 0.860 nan 8.270 nan 0.000 0.456 476 T N -1.407 112.459 114.554 -1.146 0.000 2.660 476 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 476 T C -1.905 172.302 174.700 -0.821 0.000 1.763 476 T CA -0.691 60.486 62.100 -1.538 0.000 0.959 476 T CB 0.303 68.888 68.868 -0.471 0.000 1.935 476 T HN -0.051 nan 8.240 nan 0.000 0.470 477 L N 2.614 123.622 121.223 -0.358 0.000 2.298 477 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 477 L C -0.231 176.634 176.870 -0.008 0.000 1.013 477 L CA -0.929 53.889 54.840 -0.036 0.000 0.824 477 L CB 1.154 43.319 42.059 0.176 0.000 1.221 477 L HN 0.714 nan 8.230 nan 0.000 0.418 478 F N 3.666 123.541 119.950 -0.124 0.000 2.548 478 F HA 0.095 4.622 4.527 -0.000 0.000 0.403 478 F C 1.423 177.222 175.800 -0.002 0.000 1.004 478 F CA 1.486 59.439 58.000 -0.079 0.000 1.177 478 F CB 0.342 39.288 39.000 -0.089 0.000 0.974 478 F HN 0.794 nan 8.300 nan 0.000 0.541 479 G N 3.813 112.153 108.800 -0.767 0.000 2.168 479 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 479 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 479 G C -0.030 174.768 174.900 -0.171 0.000 0.977 479 G CA 0.424 45.207 45.100 -0.528 0.000 0.659 479 G HN 0.869 nan 8.290 nan 0.000 0.533 480 D N -1.524 118.835 120.400 -0.069 0.000 2.823 480 D HA 0.287 4.927 4.640 -0.000 0.000 0.255 480 D C 0.801 177.164 176.300 0.106 0.000 1.257 480 D CA -0.472 53.548 54.000 0.033 0.000 0.803 480 D CB -0.092 40.747 40.800 0.065 0.000 1.384 480 D HN 0.217 nan 8.370 nan 0.000 0.541 481 H N 1.178 120.255 119.070 0.011 0.000 2.389 481 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 481 H C 1.177 176.616 175.328 0.185 0.000 1.081 481 H CA 2.165 58.263 56.048 0.082 0.000 1.345 481 H CB 0.707 30.480 29.762 0.018 0.000 1.393 481 H HN 0.180 nan 8.280 nan 0.000 0.520 482 E N 0.213 120.480 120.200 0.113 0.000 2.085 482 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 482 E C 2.351 178.982 176.600 0.052 0.000 0.994 482 E CA 1.358 57.794 56.400 0.059 0.000 0.801 482 E CB -0.189 29.550 29.700 0.065 0.000 0.743 482 E HN 0.423 nan 8.360 nan 0.000 0.453 483 R N -0.587 119.964 120.500 0.085 0.000 2.096 483 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 483 R C 2.076 178.467 176.300 0.151 0.000 1.127 483 R CA 0.977 57.129 56.100 0.087 0.000 0.968 483 R CB -0.356 30.000 30.300 0.094 0.000 0.861 483 R HN 0.198 nan 8.270 nan 0.000 0.440 484 F N 1.967 121.944 119.950 0.044 0.000 2.065 484 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 484 F C 1.723 177.692 175.800 0.281 0.000 1.112 484 F CA 2.161 60.272 58.000 0.185 0.000 1.212 484 F CB -0.316 38.697 39.000 0.022 0.000 0.975 484 F HN 0.093 nan 8.300 nan 0.000 0.476 485 E N -0.470 119.784 120.200 0.089 0.000 2.077 485 E HA -0.304 4.046 4.350 -0.000 0.000 0.193 485 E C 2.214 178.888 176.600 0.123 0.000 0.989 485 E CA 1.426 57.887 56.400 0.102 0.000 0.800 485 E CB -0.430 29.250 29.700 -0.034 0.000 0.746 485 E HN 0.609 nan 8.360 nan 0.000 0.452 486 Q N 0.482 120.299 119.800 0.029 0.000 2.046 486 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 486 Q C 2.011 177.933 176.000 -0.129 0.000 0.975 486 Q CA 1.881 57.666 55.803 -0.031 0.000 0.836 486 Q CB 0.043 28.761 28.738 -0.033 0.000 0.896 486 Q HN 0.164 nan 8.270 nan 0.000 0.428 487 T N -0.207 114.213 114.554 -0.224 0.000 2.746 487 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 487 T C 0.867 175.128 174.700 -0.732 0.000 1.039 487 T CA 1.645 63.436 62.100 -0.514 0.000 1.142 487 T CB -0.218 68.195 68.868 -0.758 0.000 0.866 487 T HN 0.445 nan 8.240 nan 0.000 0.444 488 Y N -1.440 118.607 120.300 -0.423 0.000 2.462 488 Y HA 0.399 4.949 4.550 -0.000 0.000 0.253 488 Y C 1.060 176.370 175.900 -0.984 0.000 1.095 488 Y CA -0.461 57.142 58.100 -0.828 0.000 1.283 488 Y CB 0.301 38.042 38.460 -1.199 0.000 1.138 488 Y HN 0.166 nan 8.280 nan 0.000 0.522 489 F N -1.649 118.234 119.950 -0.112 0.000 2.729 489 F HA 0.207 4.734 4.527 -0.000 0.000 0.315 489 F C 1.757 177.517 175.800 -0.066 0.000 1.102 489 F CA 0.054 58.002 58.000 -0.087 0.000 1.204 489 F CB 0.302 39.223 39.000 -0.132 0.000 1.052 489 F HN -0.036 nan 8.300 nan 0.000 0.551 490 S N -1.979 113.727 115.700 0.009 0.000 2.502 490 S HA -0.006 4.464 4.470 -0.000 0.000 0.215 490 S C 1.622 176.122 174.600 -0.167 0.000 1.009 490 S CA 0.649 58.825 58.200 -0.040 0.000 0.908 490 S CB -0.511 62.660 63.200 -0.048 0.000 0.801 490 S HN 0.141 nan 8.310 nan 0.000 0.505 491 T N 1.621 115.985 114.554 -0.317 0.000 2.737 491 T HA 0.201 4.551 4.350 -0.000 0.000 0.265 491 T C -0.151 173.996 174.700 -0.922 0.000 1.038 491 T CA 0.903 62.572 62.100 -0.718 0.000 1.144 491 T CB -0.383 67.837 68.868 -1.081 0.000 0.866 491 T HN 0.508 nan 8.240 nan 0.000 0.434 492 F N 1.752 121.632 119.950 -0.117 0.000 2.513 492 F HA 0.395 4.922 4.527 -0.000 0.000 0.358 492 F C -0.062 175.757 175.800 0.031 0.000 1.118 492 F CA -1.559 56.391 58.000 -0.084 0.000 1.037 492 F CB 0.968 39.887 39.000 -0.134 0.000 1.276 492 F HN -0.418 nan 8.300 nan 0.000 0.446 493 K N 3.559 124.061 120.400 0.169 0.000 2.530 493 K HA -0.068 4.252 4.320 -0.000 0.000 0.280 493 K C 0.695 177.442 176.600 0.245 0.000 1.004 493 K CA 0.506 56.898 56.287 0.174 0.000 1.071 493 K CB 0.010 32.583 32.500 0.121 0.000 0.876 493 K HN 0.777 nan 8.250 nan 0.000 0.487 494 N N 0.170 119.046 118.700 0.294 0.000 2.828 494 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 494 N C -0.442 175.409 175.510 0.568 0.000 1.044 494 N CA 1.216 54.496 53.050 0.383 0.000 0.851 494 N CB -0.966 37.678 38.487 0.262 0.000 1.136 494 N HN 0.552 nan 8.380 nan 0.000 0.572 495 M N -0.201 119.719 119.600 0.533 0.000 2.572 495 M HA 0.302 4.782 4.480 -0.000 0.000 0.299 495 M C -0.551 175.994 176.300 0.407 0.000 1.205 495 M CA -0.807 54.836 55.300 0.572 0.000 0.876 495 M CB 2.253 35.095 32.600 0.404 0.000 1.728 495 M HN 0.055 nan 8.290 nan 0.000 0.458 496 Y N 2.193 122.632 120.300 0.232 0.000 2.383 496 Y HA 0.430 4.980 4.550 -0.000 0.000 0.344 496 Y C -1.518 174.487 175.900 0.175 0.000 0.986 496 Y CA -0.678 57.332 58.100 -0.150 0.000 1.175 496 Y CB 0.435 38.915 38.460 0.033 0.000 1.152 496 Y HN 0.481 nan 8.280 nan 0.000 0.511 497 F N 6.230 125.773 119.950 -0.678 0.000 2.385 497 F HA 0.278 4.805 4.527 -0.000 0.000 0.360 497 F C 1.077 176.533 175.800 -0.572 0.000 1.122 497 F CA -1.179 56.616 58.000 -0.342 0.000 1.090 497 F CB 1.124 40.097 39.000 -0.046 0.000 1.150 497 F HN 0.604 nan 8.300 nan 0.000 0.472 498 S N 3.260 118.663 115.700 -0.494 0.000 2.489 498 S HA 0.175 4.645 4.470 -0.000 0.000 0.228 498 S C 1.622 175.904 174.600 -0.529 0.000 0.995 498 S CA 0.480 58.508 58.200 -0.287 0.000 0.934 498 S CB -0.568 62.847 63.200 0.359 0.000 0.771 498 S HN 1.731 nan 8.310 nan 0.000 0.522 499 G N 0.672 108.617 108.800 -1.425 0.000 2.159 499 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.256 499 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.256 499 G C -0.425 174.290 174.900 -0.309 0.000 0.977 499 G CA 0.245 44.723 45.100 -1.036 0.000 0.652 499 G HN 0.558 nan 8.290 nan 0.000 0.531 500 D N 0.153 120.479 120.400 -0.123 0.000 2.198 500 D HA 0.608 5.248 4.640 -0.000 0.000 0.247 500 D C 0.699 177.070 176.300 0.119 0.000 1.010 500 D CA 0.671 54.712 54.000 0.070 0.000 0.880 500 D CB 1.531 42.424 40.800 0.155 0.000 1.209 500 D HN 0.366 nan 8.370 nan 0.000 0.451 501 G N -0.608 108.250 108.800 0.096 0.000 2.471 501 G HA2 0.731 4.691 3.960 -0.000 0.000 0.332 501 G HA3 0.731 4.691 3.960 -0.000 0.000 0.332 501 G C -1.132 173.790 174.900 0.037 0.000 1.176 501 G CA -0.425 44.732 45.100 0.095 0.000 0.949 501 G HN 0.577 nan 8.290 nan 0.000 0.488 502 A N 0.279 123.126 122.820 0.045 0.000 2.566 502 A HA 0.846 5.166 4.320 -0.000 0.000 0.290 502 A C -0.622 177.008 177.584 0.078 0.000 1.071 502 A CA -0.757 51.313 52.037 0.056 0.000 0.658 502 A CB 1.334 20.346 19.000 0.019 0.000 1.285 502 A HN 1.333 nan 8.150 nan 0.000 0.427 503 R N 0.145 120.713 120.500 0.113 0.000 2.888 503 R HA 0.894 5.234 4.340 -0.000 0.000 0.266 503 R C -0.627 175.724 176.300 0.084 0.000 1.020 503 R CA -0.856 55.278 56.100 0.056 0.000 0.963 503 R CB 1.849 32.135 30.300 -0.023 0.000 1.197 503 R HN 0.785 nan 8.270 nan 0.000 0.481 504 R N 1.349 121.821 120.500 -0.047 0.000 2.532 504 R HA 0.207 4.547 4.340 -0.000 0.000 0.297 504 R C -1.237 175.028 176.300 -0.059 0.000 0.984 504 R CA -0.596 55.407 56.100 -0.161 0.000 0.884 504 R CB 1.398 31.399 30.300 -0.498 0.000 1.182 504 R HN 0.933 nan 8.270 nan 0.000 0.442 505 D N 2.806 123.241 120.400 0.058 0.000 2.478 505 D HA 0.147 4.787 4.640 -0.000 0.000 0.269 505 D C 1.203 177.494 176.300 -0.015 0.000 1.232 505 D CA 0.064 54.069 54.000 0.007 0.000 1.059 505 D CB 0.294 41.132 40.800 0.063 0.000 1.104 505 D HN 0.565 nan 8.370 nan 0.000 0.566 506 E N -0.354 119.825 120.200 -0.034 0.000 2.171 506 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 506 E C 1.279 177.875 176.600 -0.006 0.000 0.997 506 E CA 1.843 58.225 56.400 -0.030 0.000 0.810 506 E CB -0.928 28.746 29.700 -0.043 0.000 0.738 506 E HN 0.559 nan 8.360 nan 0.000 0.467 507 D N -1.446 118.957 120.400 0.005 0.000 2.349 507 D HA 0.203 4.843 4.640 -0.000 0.000 0.215 507 D C 1.442 177.846 176.300 0.172 0.000 1.016 507 D CA 1.008 55.043 54.000 0.058 0.000 0.870 507 D CB 0.605 41.378 40.800 -0.045 0.000 0.917 507 D HN 0.629 nan 8.370 nan 0.000 0.524 508 G N 0.384 109.250 108.800 0.109 0.000 2.175 508 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 508 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 508 G C -0.035 174.881 174.900 0.027 0.000 0.982 508 G CA -0.402 44.719 45.100 0.036 0.000 0.641 508 G HN 0.218 nan 8.290 nan 0.000 0.527 509 Y N 0.498 120.739 120.300 -0.098 0.000 2.442 509 Y HA 0.516 5.066 4.550 -0.000 0.000 0.330 509 Y C 0.908 176.715 175.900 -0.156 0.000 1.129 509 Y CA -0.619 57.415 58.100 -0.110 0.000 1.365 509 Y CB 0.141 38.528 38.460 -0.121 0.000 1.233 509 Y HN 0.212 nan 8.280 nan 0.000 0.529 510 Y N 1.318 121.572 120.300 -0.077 0.000 2.320 510 Y HA 0.294 4.844 4.550 -0.000 0.000 0.324 510 Y C -0.873 174.908 175.900 -0.197 0.000 1.190 510 Y CA -0.751 57.322 58.100 -0.044 0.000 1.215 510 Y CB 0.848 39.235 38.460 -0.122 0.000 1.221 510 Y HN 0.518 nan 8.280 nan 0.000 0.486 511 W N 4.202 125.536 121.300 0.057 0.000 2.543 511 W HA 0.443 5.103 4.660 -0.000 0.000 0.318 511 W C -1.404 175.097 176.519 -0.029 0.000 1.002 511 W CA -0.790 56.560 57.345 0.007 0.000 1.302 511 W CB 0.698 30.148 29.460 -0.017 0.000 1.299 511 W HN 0.135 nan 8.180 nan 0.000 0.424 512 I N 3.359 123.983 120.570 0.090 0.000 2.517 512 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 512 I C 1.472 177.640 176.117 0.084 0.000 1.106 512 I CA 0.350 61.645 61.300 -0.008 0.000 1.402 512 I CB 0.025 37.976 38.000 -0.081 0.000 1.399 512 I HN 0.568 nan 8.210 nan 0.000 0.535 513 T N 1.617 116.211 114.554 0.067 0.000 3.069 513 T HA 0.472 4.822 4.350 -0.000 0.000 0.252 513 T C 0.761 175.500 174.700 0.065 0.000 1.053 513 T CA 0.110 62.253 62.100 0.072 0.000 0.964 513 T CB 0.132 69.034 68.868 0.056 0.000 1.005 513 T HN 1.098 nan 8.240 nan 0.000 0.532 514 G N 1.591 110.434 108.800 0.071 0.000 2.541 514 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.686 514 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.686 514 G C -1.109 173.835 174.900 0.074 0.000 1.286 514 G CA -1.372 43.774 45.100 0.075 0.000 0.894 514 G HN 0.424 nan 8.290 nan 0.000 0.575 515 R N -0.167 120.373 120.500 0.066 0.000 2.570 515 R HA 0.262 4.602 4.340 -0.000 0.000 0.277 515 R C 1.690 178.026 176.300 0.059 0.000 1.039 515 R CA 0.482 56.613 56.100 0.052 0.000 1.065 515 R CB 0.709 31.026 30.300 0.030 0.000 0.964 515 R HN 1.377 nan 8.270 nan 0.000 0.428 516 V N -1.813 118.148 119.914 0.079 0.000 3.660 516 V HA 0.043 4.163 4.120 -0.000 0.000 0.276 516 V C 0.579 176.732 176.094 0.099 0.000 1.317 516 V CA 0.105 62.473 62.300 0.113 0.000 1.097 516 V CB -0.279 31.663 31.823 0.199 0.000 0.863 516 V HN 0.631 nan 8.190 nan 0.000 0.438 517 D N 0.038 120.473 120.400 0.059 0.000 2.530 517 D HA 0.192 4.832 4.640 -0.000 0.000 0.282 517 D C -0.271 176.042 176.300 0.021 0.000 1.204 517 D CA -0.673 53.348 54.000 0.036 0.000 1.093 517 D CB 0.016 40.810 40.800 -0.009 0.000 1.154 517 D HN 0.117 nan 8.370 nan 0.000 0.593 518 D N -0.390 120.016 120.400 0.010 0.000 3.168 518 D HA 0.218 4.858 4.640 -0.000 0.000 0.255 518 D C -0.587 175.720 176.300 0.011 0.000 1.314 518 D CA -0.135 53.874 54.000 0.014 0.000 0.900 518 D CB 0.407 41.215 40.800 0.014 0.000 1.072 518 D HN 0.026 nan 8.370 nan 0.000 0.487 519 V N 1.771 121.689 119.914 0.008 0.000 2.384 519 V HA 0.306 4.426 4.120 -0.000 0.000 0.287 519 V C 0.530 176.630 176.094 0.010 0.000 1.020 519 V CA -0.740 61.563 62.300 0.006 0.000 0.850 519 V CB 1.952 33.773 31.823 -0.004 0.000 0.987 519 V HN 0.107 nan 8.190 nan 0.000 0.436 520 L N 3.578 124.806 121.223 0.009 0.000 2.439 520 L HA 0.506 4.846 4.340 -0.000 0.000 0.259 520 L C 0.270 177.136 176.870 -0.008 0.000 1.129 520 L CA -0.380 54.465 54.840 0.009 0.000 0.803 520 L CB 0.709 42.777 42.059 0.015 0.000 1.161 520 L HN 0.660 nan 8.230 nan 0.000 0.462 521 N N 0.254 118.947 118.700 -0.011 0.000 2.762 521 N HA 0.315 5.055 4.740 -0.000 0.000 0.252 521 N C -1.537 173.948 175.510 -0.042 0.000 1.269 521 N CA -0.304 52.722 53.050 -0.039 0.000 0.799 521 N CB 0.954 39.420 38.487 -0.035 0.000 1.173 521 N HN 0.254 nan 8.380 nan 0.000 0.516 522 V N 2.203 122.098 119.914 -0.032 0.000 2.334 522 V HA 0.280 4.400 4.120 -0.000 0.000 0.267 522 V C 0.585 176.654 176.094 -0.042 0.000 1.040 522 V CA -0.513 61.775 62.300 -0.020 0.000 0.866 522 V CB 0.759 32.590 31.823 0.014 0.000 1.019 522 V HN 0.777 nan 8.190 nan 0.000 0.468 523 S N 4.000 119.644 115.700 -0.094 0.000 3.641 523 S HA -0.199 4.271 4.470 -0.000 0.000 0.346 523 S C 1.396 175.721 174.600 -0.457 0.000 1.074 523 S CA 1.248 59.345 58.200 -0.171 0.000 1.026 523 S CB -1.377 61.794 63.200 -0.049 0.000 0.908 523 S HN 2.181 nan 8.310 nan 0.000 0.479 524 G N -0.292 108.281 108.800 -0.379 0.000 2.148 524 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 524 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 524 G C -0.382 174.126 174.900 -0.654 0.000 0.981 524 G CA 0.533 45.345 45.100 -0.479 0.000 0.670 524 G HN 0.873 nan 8.290 nan 0.000 0.528 525 H N -0.622 118.271 119.070 -0.295 0.000 2.511 525 H HA 0.536 5.092 4.556 -0.000 0.000 0.328 525 H C 0.473 175.637 175.328 -0.275 0.000 1.044 525 H CA -0.830 54.973 56.048 -0.409 0.000 1.212 525 H CB 1.088 30.665 29.762 -0.309 0.000 1.428 525 H HN 0.268 nan 8.280 nan 0.000 0.483 526 R N 4.281 124.666 120.500 -0.190 0.000 2.296 526 R HA 0.263 4.603 4.340 -0.000 0.000 0.323 526 R C -1.249 175.030 176.300 -0.034 0.000 1.067 526 R CA -0.111 55.927 56.100 -0.103 0.000 0.946 526 R CB 0.077 30.309 30.300 -0.113 0.000 0.991 526 R HN 0.581 nan 8.270 nan 0.000 0.448 527 L N 3.152 124.368 121.223 -0.010 0.000 2.370 527 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 527 L C 0.351 177.229 176.870 0.013 0.000 1.002 527 L CA -1.196 53.648 54.840 0.007 0.000 0.818 527 L CB 2.294 44.355 42.059 0.003 0.000 1.325 527 L HN 0.789 nan 8.230 nan 0.000 0.418 528 G N 0.013 108.824 108.800 0.019 0.000 2.339 528 G HA2 0.334 4.294 3.960 -0.000 0.000 0.287 528 G HA3 0.334 4.294 3.960 -0.000 0.000 0.287 528 G C 0.602 175.513 174.900 0.018 0.000 1.163 528 G CA -0.160 44.952 45.100 0.020 0.000 0.872 528 G HN 0.688 nan 8.290 nan 0.000 0.464 529 T N 2.714 117.280 114.554 0.020 0.000 2.777 529 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 529 T C 2.812 177.529 174.700 0.028 0.000 1.040 529 T CA 1.774 63.891 62.100 0.027 0.000 1.141 529 T CB -0.083 68.804 68.868 0.031 0.000 0.868 529 T HN 0.635 nan 8.240 nan 0.000 0.444 530 A N 2.186 125.020 122.820 0.023 0.000 1.877 530 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 530 A C 2.222 179.822 177.584 0.026 0.000 1.186 530 A CA 1.925 53.976 52.037 0.024 0.000 0.620 530 A CB -0.635 18.377 19.000 0.019 0.000 0.822 530 A HN 0.771 nan 8.150 nan 0.000 0.443 531 E N 0.076 120.290 120.200 0.023 0.000 2.085 531 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 531 E C 1.854 178.463 176.600 0.015 0.000 0.994 531 E CA 1.539 57.950 56.400 0.018 0.000 0.801 531 E CB -0.575 29.131 29.700 0.011 0.000 0.743 531 E HN 0.632 nan 8.360 nan 0.000 0.453 532 I N 1.414 121.992 120.570 0.013 0.000 2.286 532 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 532 I C 2.335 178.475 176.117 0.039 0.000 1.115 532 I CA 1.444 62.753 61.300 0.015 0.000 1.392 532 I CB -0.375 37.630 38.000 0.009 0.000 1.065 532 I HN 0.163 nan 8.210 nan 0.000 0.418 533 E N 0.649 120.874 120.200 0.042 0.000 2.072 533 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 533 E C 2.348 178.988 176.600 0.066 0.000 0.985 533 E CA 1.493 57.924 56.400 0.051 0.000 0.801 533 E CB -0.089 29.638 29.700 0.045 0.000 0.750 533 E HN 0.344 nan 8.360 nan 0.000 0.452 534 S N 0.812 116.548 115.700 0.060 0.000 2.382 534 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 534 S C 2.113 176.782 174.600 0.116 0.000 1.027 534 S CA 0.975 59.219 58.200 0.073 0.000 0.991 534 S CB -0.191 63.041 63.200 0.053 0.000 0.823 534 S HN 0.384 nan 8.310 nan 0.000 0.469 535 A N 1.448 124.334 122.820 0.110 0.000 1.877 535 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 535 A C 2.126 179.930 177.584 0.367 0.000 1.186 535 A CA 1.159 53.297 52.037 0.168 0.000 0.620 535 A CB -0.731 18.301 19.000 0.053 0.000 0.822 535 A HN 0.440 nan 8.150 nan 0.000 0.443 536 L N -0.495 120.873 121.223 0.243 0.000 1.994 536 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 536 L C 2.417 179.389 176.870 0.169 0.000 1.071 536 L CA 1.242 56.212 54.840 0.218 0.000 0.745 536 L CB -0.559 41.553 42.059 0.089 0.000 0.892 536 L HN 0.235 nan 8.230 nan 0.000 0.431 537 V N 0.073 120.066 119.914 0.131 0.000 2.867 537 V HA -0.214 3.905 4.120 -0.000 0.000 0.260 537 V C 2.546 178.707 176.094 0.111 0.000 1.099 537 V CA 1.349 63.704 62.300 0.093 0.000 1.122 537 V CB -0.871 30.993 31.823 0.068 0.000 0.708 537 V HN 0.468 nan 8.190 nan 0.000 0.490 538 A N -1.425 121.523 122.820 0.213 0.000 2.067 538 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 538 A C 1.412 179.084 177.584 0.146 0.000 1.158 538 A CA 0.519 52.713 52.037 0.262 0.000 0.661 538 A CB -0.585 18.672 19.000 0.428 0.000 0.801 538 A HN 0.619 nan 8.150 nan 0.000 0.452 539 H N 0.396 119.350 119.070 -0.194 0.000 2.886 539 H HA 0.112 4.668 4.556 -0.000 0.000 0.329 539 H C -1.777 173.307 175.328 -0.407 0.000 1.044 539 H CA -1.364 54.193 56.048 -0.818 0.000 1.456 539 H CB 1.117 30.251 29.762 -1.047 0.000 1.464 539 H HN 0.021 nan 8.280 nan 0.000 0.573 540 P HA -0.142 nan 4.420 nan 0.000 0.217 540 P C 0.575 177.813 177.300 -0.103 0.000 1.148 540 P CA 1.851 64.748 63.100 -0.337 0.000 0.828 540 P CB 0.253 31.707 31.700 -0.410 0.000 0.783 541 K N -1.462 119.005 120.400 0.111 0.000 2.404 541 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 541 K C 0.462 177.115 176.600 0.090 0.000 1.023 541 K CA 0.026 56.386 56.287 0.121 0.000 1.094 541 K CB 0.254 32.838 32.500 0.140 0.000 0.841 541 K HN 0.214 nan 8.250 nan 0.000 0.523 542 I N 0.696 121.323 120.570 0.095 0.000 2.339 542 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 542 I C 0.773 176.911 176.117 0.035 0.000 0.994 542 I CA -0.360 60.970 61.300 0.051 0.000 1.191 542 I CB 1.836 39.850 38.000 0.024 0.000 1.343 542 I HN 0.010 nan 8.210 nan 0.000 0.458 543 A N 5.063 127.904 122.820 0.034 0.000 1.997 543 A HA 0.189 4.509 4.320 -0.000 0.000 0.212 543 A C 0.659 178.256 177.584 0.022 0.000 1.178 543 A CA 0.765 52.812 52.037 0.017 0.000 0.698 543 A CB 0.290 19.292 19.000 0.004 0.000 0.842 543 A HN 0.767 nan 8.150 nan 0.000 0.458 544 E N -2.471 117.750 120.200 0.035 0.000 2.388 544 E HA 0.589 4.938 4.350 -0.000 0.000 0.280 544 E C -1.728 174.897 176.600 0.042 0.000 1.019 544 E CA -0.328 56.092 56.400 0.033 0.000 0.806 544 E CB 1.857 31.571 29.700 0.023 0.000 1.246 544 E HN 0.452 nan 8.360 nan 0.000 0.443 545 A N 1.206 124.051 122.820 0.042 0.000 2.572 545 A HA 0.894 5.214 4.320 -0.000 0.000 0.295 545 A C -1.713 175.908 177.584 0.063 0.000 1.072 545 A CA -0.037 52.031 52.037 0.052 0.000 0.691 545 A CB 1.946 20.970 19.000 0.040 0.000 1.291 545 A HN 0.620 nan 8.150 nan 0.000 0.404 546 A N 1.006 123.891 122.820 0.110 0.000 2.385 546 A HA 0.643 4.963 4.320 -0.000 0.000 0.290 546 A C -1.082 176.640 177.584 0.230 0.000 1.094 546 A CA -0.370 51.740 52.037 0.121 0.000 0.729 546 A CB 0.996 20.023 19.000 0.046 0.000 1.194 546 A HN 1.341 nan 8.150 nan 0.000 0.442 547 V N 3.320 123.328 119.914 0.156 0.000 2.427 547 V HA 0.666 4.786 4.120 -0.000 0.000 0.286 547 V C 0.217 176.411 176.094 0.167 0.000 1.034 547 V CA -0.308 62.087 62.300 0.159 0.000 0.893 547 V CB 1.260 33.132 31.823 0.081 0.000 0.982 547 V HN 1.128 nan 8.190 nan 0.000 0.452 548 V N 1.771 121.813 119.914 0.213 0.000 3.078 548 V HA 1.032 5.152 4.120 -0.000 0.000 0.311 548 V C 0.121 176.294 176.094 0.131 0.000 1.138 548 V CA -0.612 61.785 62.300 0.162 0.000 1.007 548 V CB 1.878 33.814 31.823 0.188 0.000 1.045 548 V HN 0.907 nan 8.190 nan 0.000 0.432 549 G N 1.817 110.666 108.800 0.082 0.000 2.371 549 G HA2 0.752 4.712 3.960 -0.000 0.000 0.326 549 G HA3 0.752 4.712 3.960 -0.000 0.000 0.326 549 G C -0.672 174.257 174.900 0.049 0.000 1.127 549 G CA -0.658 44.481 45.100 0.066 0.000 0.885 549 G HN 1.460 nan 8.290 nan 0.000 0.477 550 I N -0.442 120.161 120.570 0.056 0.000 2.785 550 I HA 0.654 4.824 4.170 -0.000 0.000 0.302 550 I C -2.848 173.308 176.117 0.065 0.000 1.069 550 I CA -3.142 58.180 61.300 0.037 0.000 1.045 550 I CB 2.641 40.656 38.000 0.025 0.000 1.236 550 I HN 0.171 nan 8.210 nan 0.000 0.429 551 P HA 0.134 nan 4.420 nan 0.000 0.267 551 P C -1.448 175.923 177.300 0.119 0.000 1.200 551 P CA 0.546 63.684 63.100 0.064 0.000 0.772 551 P CB 0.145 31.862 31.700 0.028 0.000 0.855 552 H N 1.049 120.121 119.070 0.003 0.000 3.017 552 H HA 0.492 5.048 4.556 -0.000 0.000 0.340 552 H C 0.744 176.067 175.328 -0.009 0.000 1.014 552 H CA -0.392 55.656 56.048 0.001 0.000 1.341 552 H CB 1.188 30.953 29.762 0.005 0.000 1.739 552 H HN 0.312 nan 8.280 nan 0.000 0.506 553 A N 4.976 127.613 122.820 -0.306 0.000 1.986 553 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 553 A C 1.387 178.906 177.584 -0.108 0.000 1.171 553 A CA 1.914 53.838 52.037 -0.187 0.000 0.640 553 A CB -0.350 18.522 19.000 -0.212 0.000 0.811 553 A HN 0.628 nan 8.150 nan 0.000 0.451 554 I N -1.447 119.090 120.570 -0.054 0.000 2.900 554 I HA 0.004 4.174 4.170 -0.000 0.000 0.251 554 I C 1.950 178.168 176.117 0.169 0.000 1.102 554 I CA 1.011 62.367 61.300 0.093 0.000 1.457 554 I CB -1.318 36.764 38.000 0.138 0.000 1.285 554 I HN 0.236 nan 8.210 nan 0.000 0.459 555 K N 0.814 121.444 120.400 0.383 0.000 2.362 555 K HA 0.042 4.362 4.320 -0.000 0.000 0.200 555 K C 1.532 178.167 176.600 0.059 0.000 1.046 555 K CA 0.876 57.225 56.287 0.103 0.000 0.952 555 K CB 0.094 32.527 32.500 -0.111 0.000 0.753 555 K HN 0.540 nan 8.250 nan 0.000 0.466 556 G N 0.900 109.767 108.800 0.112 0.000 2.900 556 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.223 556 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.223 556 G C 0.009 174.954 174.900 0.075 0.000 1.293 556 G CA -0.059 45.077 45.100 0.059 0.000 0.792 556 G HN 0.347 nan 8.290 nan 0.000 0.527 557 Q N 0.541 120.373 119.800 0.054 0.000 2.263 557 Q HA 0.641 4.981 4.340 -0.000 0.000 0.266 557 Q C -0.392 175.612 176.000 0.006 0.000 1.002 557 Q CA 0.006 55.837 55.803 0.046 0.000 0.790 557 Q CB 2.157 30.911 28.738 0.025 0.000 1.272 557 Q HN 0.958 nan 8.270 nan 0.000 0.435 558 A N 3.319 126.151 122.820 0.020 0.000 2.304 558 A HA 0.632 4.952 4.320 -0.000 0.000 0.301 558 A C -0.202 177.393 177.584 0.018 0.000 1.132 558 A CA -0.544 51.462 52.037 -0.052 0.000 0.819 558 A CB 0.499 19.477 19.000 -0.037 0.000 1.094 558 A HN 0.754 nan 8.150 nan 0.000 0.492 559 I N 1.811 122.378 120.570 -0.005 0.000 2.337 559 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 559 I C -0.859 175.277 176.117 0.032 0.000 1.046 559 I CA 0.150 61.461 61.300 0.019 0.000 1.324 559 I CB 0.319 38.309 38.000 -0.017 0.000 1.409 559 I HN 0.658 nan 8.210 nan 0.000 0.494 560 Y N 6.649 126.911 120.300 -0.064 0.000 2.334 560 Y HA 0.661 5.211 4.550 -0.000 0.000 0.336 560 Y C -0.309 175.510 175.900 -0.135 0.000 0.960 560 Y CA -0.862 57.166 58.100 -0.120 0.000 1.164 560 Y CB 1.422 39.816 38.460 -0.110 0.000 1.155 560 Y HN 0.581 nan 8.280 nan 0.000 0.478 561 A N 6.224 128.851 122.820 -0.322 0.000 2.291 561 A HA 0.534 4.854 4.320 -0.000 0.000 0.311 561 A C -1.960 175.450 177.584 -0.290 0.000 1.224 561 A CA -0.519 51.406 52.037 -0.186 0.000 0.821 561 A CB 0.037 18.927 19.000 -0.184 0.000 1.172 561 A HN 0.738 nan 8.150 nan 0.000 0.494 562 Y N 1.685 121.967 120.300 -0.030 0.000 2.393 562 Y HA 0.421 4.971 4.550 -0.000 0.000 0.338 562 Y C 0.246 176.075 175.900 -0.120 0.000 1.029 562 Y CA 0.021 58.069 58.100 -0.086 0.000 1.239 562 Y CB 1.261 39.699 38.460 -0.037 0.000 1.170 562 Y HN 0.362 nan 8.280 nan 0.000 0.515 563 V N 3.506 123.393 119.914 -0.045 0.000 2.483 563 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 563 V C -0.275 175.890 176.094 0.118 0.000 1.027 563 V CA -0.898 61.401 62.300 -0.002 0.000 0.855 563 V CB 1.969 33.721 31.823 -0.118 0.000 0.995 563 V HN 0.750 nan 8.190 nan 0.000 0.424 564 T N 6.614 121.233 114.554 0.108 0.000 2.749 564 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 564 T C -0.145 174.631 174.700 0.127 0.000 0.970 564 T CA -0.223 61.950 62.100 0.122 0.000 0.980 564 T CB 0.681 69.595 68.868 0.076 0.000 0.924 564 T HN 0.335 nan 8.240 nan 0.000 0.456 565 L N 3.454 124.767 121.223 0.150 0.000 2.379 565 L HA 0.417 4.757 4.340 -0.000 0.000 0.269 565 L C 0.977 177.900 176.870 0.088 0.000 1.084 565 L CA -1.123 53.780 54.840 0.106 0.000 0.802 565 L CB 0.583 42.681 42.059 0.064 0.000 1.175 565 L HN 0.522 nan 8.230 nan 0.000 0.448 566 N N 0.090 118.824 118.700 0.057 0.000 2.415 566 N HA 0.076 4.816 4.740 -0.000 0.000 0.248 566 N C -0.210 175.374 175.510 0.124 0.000 1.271 566 N CA -0.140 52.934 53.050 0.040 0.000 0.913 566 N CB 0.337 38.827 38.487 0.004 0.000 1.129 566 N HN 0.514 nan 8.380 nan 0.000 0.444 567 H N -0.395 118.669 119.070 -0.009 0.000 2.871 567 H HA 0.098 4.654 4.556 -0.000 0.000 0.355 567 H C 1.269 176.583 175.328 -0.024 0.000 1.092 567 H CA 0.486 56.524 56.048 -0.015 0.000 1.420 567 H CB 0.529 30.284 29.762 -0.011 0.000 1.400 567 H HN 0.871 nan 8.280 nan 0.000 0.604 568 G N 2.103 110.945 108.800 0.070 0.000 2.241 568 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 568 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 568 G C -0.012 174.879 174.900 -0.015 0.000 0.998 568 G CA -0.214 44.895 45.100 0.016 0.000 0.621 568 G HN 0.546 nan 8.290 nan 0.000 0.519 569 E N 1.791 121.983 120.200 -0.014 0.000 2.200 569 E HA 0.587 4.937 4.350 -0.000 0.000 0.283 569 E C 0.270 176.800 176.600 -0.116 0.000 1.015 569 E CA 0.565 56.930 56.400 -0.059 0.000 0.819 569 E CB 1.104 30.777 29.700 -0.046 0.000 1.081 569 E HN 0.877 nan 8.360 nan 0.000 0.397 570 E N 3.157 123.264 120.200 -0.156 0.000 2.171 570 E HA 0.487 4.837 4.350 -0.000 0.000 0.271 570 E C -2.597 173.799 176.600 -0.341 0.000 0.916 570 E CA -2.237 54.037 56.400 -0.209 0.000 0.774 570 E CB 0.826 30.441 29.700 -0.142 0.000 1.128 570 E HN 0.142 nan 8.360 nan 0.000 0.403 571 P HA 0.250 nan 4.420 nan 0.000 0.264 571 P C -0.567 176.502 177.300 -0.385 0.000 1.193 571 P CA 0.281 62.877 63.100 -0.841 0.000 0.763 571 P CB 0.818 31.806 31.700 -1.187 0.000 0.810 572 S N 2.365 117.918 115.700 -0.245 0.000 2.625 572 S HA 0.540 5.010 4.470 -0.000 0.000 0.271 572 S C -2.424 172.198 174.600 0.036 0.000 1.161 572 S CA -1.442 56.709 58.200 -0.082 0.000 0.820 572 S CB 1.460 64.617 63.200 -0.073 0.000 1.137 572 S HN 0.027 nan 8.310 nan 0.000 0.470 573 P HA -0.101 nan 4.420 nan 0.000 0.216 573 P C 1.482 178.861 177.300 0.131 0.000 1.150 573 P CA 1.075 64.218 63.100 0.072 0.000 0.837 573 P CB 0.115 31.827 31.700 0.020 0.000 0.786 574 E N -0.142 120.108 120.200 0.082 0.000 2.031 574 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 574 E C 1.850 178.514 176.600 0.107 0.000 0.994 574 E CA 1.153 57.602 56.400 0.082 0.000 0.800 574 E CB -0.834 28.892 29.700 0.044 0.000 0.752 574 E HN 0.067 nan 8.360 nan 0.000 0.447 575 L N 0.568 121.838 121.223 0.079 0.000 2.131 575 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 575 L C 2.359 179.354 176.870 0.208 0.000 1.092 575 L CA 1.562 56.441 54.840 0.064 0.000 0.759 575 L CB -0.926 41.090 42.059 -0.071 0.000 0.903 575 L HN 0.195 nan 8.230 nan 0.000 0.435 576 Y N -0.133 120.296 120.300 0.214 0.000 2.145 576 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 576 Y C 2.422 178.409 175.900 0.144 0.000 1.145 576 Y CA 2.108 60.400 58.100 0.319 0.000 1.148 576 Y CB -0.333 38.299 38.460 0.288 0.000 0.981 576 Y HN 0.241 nan 8.280 nan 0.000 0.507 577 A N -0.358 122.648 122.820 0.310 0.000 1.969 577 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 577 A C 2.162 179.818 177.584 0.119 0.000 1.169 577 A CA 1.685 53.839 52.037 0.195 0.000 0.635 577 A CB -0.728 18.372 19.000 0.166 0.000 0.810 577 A HN 0.627 nan 8.150 nan 0.000 0.445 578 E N -0.255 120.012 120.200 0.111 0.000 2.072 578 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 578 E C 1.859 178.510 176.600 0.085 0.000 0.985 578 E CA 1.292 57.757 56.400 0.108 0.000 0.801 578 E CB -0.057 29.699 29.700 0.093 0.000 0.750 578 E HN 0.334 nan 8.360 nan 0.000 0.452 579 V N 1.124 121.020 119.914 -0.030 0.000 2.427 579 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 579 V C 2.355 178.454 176.094 0.008 0.000 1.051 579 V CA 1.746 63.993 62.300 -0.088 0.000 1.048 579 V CB -0.447 31.268 31.823 -0.179 0.000 0.666 579 V HN 0.238 nan 8.190 nan 0.000 0.456 580 R N 0.335 120.807 120.500 -0.046 0.000 2.066 580 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 580 R C 2.130 178.458 176.300 0.048 0.000 1.131 580 R CA 1.598 57.678 56.100 -0.034 0.000 0.955 580 R CB -0.460 29.811 30.300 -0.048 0.000 0.851 580 R HN 0.498 nan 8.270 nan 0.000 0.432 581 N N 0.215 118.968 118.700 0.089 0.000 2.453 581 N HA -0.201 4.539 4.740 -0.000 0.000 0.183 581 N C 1.200 176.795 175.510 0.141 0.000 1.041 581 N CA 0.714 53.823 53.050 0.098 0.000 0.900 581 N CB -0.204 38.347 38.487 0.108 0.000 0.961 581 N HN 0.439 nan 8.380 nan 0.000 0.443 582 W N 1.503 122.813 121.300 0.016 0.000 2.407 582 W HA -0.087 4.573 4.660 -0.000 0.000 0.305 582 W C 1.325 177.851 176.519 0.013 0.000 1.196 582 W CA 0.766 58.140 57.345 0.048 0.000 1.311 582 W CB -0.077 29.452 29.460 0.115 0.000 1.135 582 W HN -0.176 nan 8.180 nan 0.000 0.514 583 V N 1.506 121.469 119.914 0.081 0.000 2.407 583 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 583 V C 2.621 178.648 176.094 -0.112 0.000 1.055 583 V CA 2.231 64.506 62.300 -0.042 0.000 1.049 583 V CB -1.027 30.798 31.823 0.003 0.000 0.662 583 V HN 0.162 nan 8.190 nan 0.000 0.455 584 R N 0.319 120.779 120.500 -0.066 0.000 2.096 584 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 584 R C 2.394 178.624 176.300 -0.117 0.000 1.127 584 R CA 2.028 58.087 56.100 -0.067 0.000 0.968 584 R CB -0.158 30.128 30.300 -0.023 0.000 0.861 584 R HN 0.518 nan 8.270 nan 0.000 0.440 585 K N -0.116 120.178 120.400 -0.175 0.000 2.116 585 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 585 K C 1.667 178.062 176.600 -0.343 0.000 1.052 585 K CA 1.075 57.215 56.287 -0.244 0.000 0.952 585 K CB 0.213 32.542 32.500 -0.285 0.000 0.729 585 K HN 0.075 nan 8.250 nan 0.000 0.446 586 E N 0.389 120.309 120.200 -0.466 0.000 2.046 586 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 586 E C 1.998 178.438 176.600 -0.267 0.000 0.982 586 E CA 1.188 57.331 56.400 -0.429 0.000 0.800 586 E CB 0.185 29.579 29.700 -0.508 0.000 0.756 586 E HN 0.421 nan 8.360 nan 0.000 0.449 587 I N -1.505 118.926 120.570 -0.231 0.000 3.570 587 I HA 0.255 4.425 4.170 -0.000 0.000 0.270 587 I C 0.954 176.925 176.117 -0.243 0.000 1.162 587 I CA 0.458 61.614 61.300 -0.240 0.000 1.413 587 I CB 1.040 38.919 38.000 -0.200 0.000 1.437 587 I HN 0.062 nan 8.210 nan 0.000 0.457 588 G N 0.758 109.464 108.800 -0.157 0.000 2.350 588 G HA2 0.053 4.013 3.960 -0.000 0.000 0.305 588 G HA3 0.053 4.013 3.960 -0.000 0.000 0.305 588 G C -2.632 172.241 174.900 -0.046 0.000 1.479 588 G CA -0.455 44.592 45.100 -0.089 0.000 0.949 588 G HN -0.204 nan 8.290 nan 0.000 0.651 589 P HA -0.071 nan 4.420 nan 0.000 0.219 589 P C 1.966 179.276 177.300 0.016 0.000 1.146 589 P CA 0.864 63.968 63.100 0.006 0.000 0.808 589 P CB 0.233 31.945 31.700 0.021 0.000 0.779 590 L N -0.988 120.253 121.223 0.031 0.000 2.362 590 L HA -0.038 4.302 4.340 -0.000 0.000 0.219 590 L C 2.329 179.203 176.870 0.005 0.000 1.134 590 L CA 1.157 56.014 54.840 0.028 0.000 0.807 590 L CB -0.686 41.369 42.059 -0.007 0.000 0.927 590 L HN -0.027 nan 8.230 nan 0.000 0.447 591 A N -1.453 121.353 122.820 -0.022 0.000 2.348 591 A HA 0.145 4.465 4.320 -0.000 0.000 0.224 591 A C 0.891 178.455 177.584 -0.034 0.000 1.227 591 A CA -0.141 51.877 52.037 -0.032 0.000 0.885 591 A CB -0.161 18.804 19.000 -0.058 0.000 0.933 591 A HN 0.163 nan 8.150 nan 0.000 0.506 592 T N 3.691 118.227 114.554 -0.030 0.000 2.829 592 T HA 0.269 4.619 4.350 -0.000 0.000 0.293 592 T C -2.561 172.106 174.700 -0.055 0.000 0.970 592 T CA -0.181 61.896 62.100 -0.037 0.000 1.168 592 T CB 0.382 69.236 68.868 -0.024 0.000 0.911 592 T HN 0.138 nan 8.240 nan 0.000 0.535 593 P HA 0.068 nan 4.420 nan 0.000 0.263 593 P C 0.423 177.648 177.300 -0.125 0.000 1.195 593 P CA -0.026 62.999 63.100 -0.125 0.000 0.762 593 P CB 0.469 32.049 31.700 -0.199 0.000 0.799 594 D N 1.386 121.724 120.400 -0.103 0.000 2.289 594 D HA 0.013 4.653 4.640 -0.000 0.000 0.207 594 D C 0.215 176.461 176.300 -0.091 0.000 0.966 594 D CA 1.165 55.121 54.000 -0.073 0.000 0.868 594 D CB 0.455 41.217 40.800 -0.063 0.000 0.943 594 D HN 0.118 nan 8.370 nan 0.000 0.514 595 V N 1.601 121.388 119.914 -0.211 0.000 2.668 595 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 595 V C -0.464 175.270 176.094 -0.601 0.000 1.071 595 V CA -0.686 61.404 62.300 -0.350 0.000 0.894 595 V CB 2.731 34.276 31.823 -0.464 0.000 1.008 595 V HN -0.096 nan 8.190 nan 0.000 0.425 596 L N 4.347 125.230 121.223 -0.567 0.000 2.287 596 L HA 0.549 4.889 4.340 -0.000 0.000 0.287 596 L C -0.243 176.163 176.870 -0.773 0.000 1.022 596 L CA -0.406 53.938 54.840 -0.827 0.000 0.814 596 L CB 1.200 42.503 42.059 -1.259 0.000 1.217 596 L HN 0.745 nan 8.230 nan 0.000 0.420 597 H N 3.714 122.265 119.070 -0.866 0.000 2.718 597 H HA 0.220 4.776 4.556 -0.000 0.000 0.295 597 H C -1.185 173.937 175.328 -0.343 0.000 1.051 597 H CA -0.961 54.748 56.048 -0.565 0.000 1.260 597 H CB 0.588 30.046 29.762 -0.507 0.000 1.403 597 H HN 0.521 nan 8.280 nan 0.000 0.488 598 W N 4.318 125.727 121.300 0.183 0.000 2.251 598 W HA 0.276 4.936 4.660 -0.000 0.000 0.327 598 W C 0.571 177.115 176.519 0.042 0.000 1.361 598 W CA -0.033 57.360 57.345 0.079 0.000 1.234 598 W CB 0.963 30.477 29.460 0.091 0.000 1.212 598 W HN 0.425 nan 8.180 nan 0.000 0.557 599 T N 1.152 115.824 114.554 0.198 0.000 2.733 599 T HA 0.148 4.498 4.350 -0.000 0.000 0.312 599 T C -0.782 173.974 174.700 0.092 0.000 1.590 599 T CA -0.664 61.491 62.100 0.092 0.000 1.005 599 T CB 1.347 70.162 68.868 -0.089 0.000 1.528 599 T HN 0.440 nan 8.240 nan 0.000 0.496 600 D N 0.986 121.430 120.400 0.073 0.000 2.527 600 D HA 0.237 4.877 4.640 -0.000 0.000 0.224 600 D C 0.076 176.400 176.300 0.040 0.000 1.217 600 D CA -0.033 54.006 54.000 0.066 0.000 0.819 600 D CB 0.876 41.722 40.800 0.077 0.000 1.061 600 D HN 0.317 nan 8.370 nan 0.000 0.515 601 S N 0.943 116.658 115.700 0.024 0.000 2.560 601 S HA 0.284 4.754 4.470 -0.000 0.000 0.227 601 S C 0.575 175.154 174.600 -0.035 0.000 1.280 601 S CA -0.369 57.835 58.200 0.006 0.000 1.260 601 S CB 0.317 63.531 63.200 0.024 0.000 1.002 601 S HN 0.166 nan 8.310 nan 0.000 0.509 602 L N 4.195 125.392 121.223 -0.043 0.000 2.418 602 L HA 0.249 4.589 4.340 -0.000 0.000 0.274 602 L C -1.875 174.948 176.870 -0.078 0.000 1.135 602 L CA -1.699 53.088 54.840 -0.089 0.000 0.870 602 L CB 0.307 42.328 42.059 -0.062 0.000 1.154 602 L HN 0.108 nan 8.230 nan 0.000 0.462 603 P HA 0.148 nan 4.420 nan 0.000 0.267 603 P C -1.039 176.225 177.300 -0.060 0.000 1.205 603 P CA -0.040 63.013 63.100 -0.078 0.000 0.765 603 P CB 1.033 32.675 31.700 -0.096 0.000 0.828 604 K N 0.806 121.183 120.400 -0.039 0.000 2.512 604 K HA 0.422 4.742 4.320 -0.000 0.000 0.263 604 K C 0.224 176.811 176.600 -0.022 0.000 0.966 604 K CA -0.720 55.549 56.287 -0.030 0.000 0.851 604 K CB 2.002 34.488 32.500 -0.023 0.000 1.395 604 K HN 0.441 nan 8.250 nan 0.000 0.440 605 T N -1.634 112.908 114.554 -0.019 0.000 2.816 605 T HA 0.220 4.570 4.350 -0.000 0.000 0.282 605 T C 1.074 175.767 174.700 -0.011 0.000 0.993 605 T CA -0.524 61.567 62.100 -0.014 0.000 0.994 605 T CB 0.848 69.708 68.868 -0.013 0.000 1.025 605 T HN 0.539 nan 8.240 nan 0.000 0.529 606 R N 0.176 120.671 120.500 -0.009 0.000 2.193 606 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 606 R C 2.565 178.861 176.300 -0.006 0.000 1.110 606 R CA 1.075 57.171 56.100 -0.007 0.000 0.988 606 R CB -0.454 29.843 30.300 -0.005 0.000 0.871 606 R HN 0.707 nan 8.270 nan 0.000 0.458 607 S N -0.791 114.905 115.700 -0.007 0.000 2.489 607 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 607 S C 1.365 175.960 174.600 -0.007 0.000 0.995 607 S CA 1.044 59.240 58.200 -0.007 0.000 0.934 607 S CB 0.197 63.393 63.200 -0.008 0.000 0.771 607 S HN 0.593 nan 8.310 nan 0.000 0.522 608 G N -0.771 108.023 108.800 -0.009 0.000 2.184 608 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.206 608 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.206 608 G C 0.095 174.988 174.900 -0.011 0.000 0.995 608 G CA 0.343 45.437 45.100 -0.009 0.000 0.651 608 G HN 0.955 nan 8.290 nan 0.000 0.511 609 K N -0.234 120.159 120.400 -0.012 0.000 2.270 609 K HA 0.914 5.234 4.320 -0.000 0.000 0.276 609 K C 0.839 177.428 176.600 -0.018 0.000 1.023 609 K CA 0.359 56.638 56.287 -0.013 0.000 0.955 609 K CB 0.126 32.619 32.500 -0.012 0.000 0.975 609 K HN 1.961 nan 8.250 nan 0.000 0.471 610 I N 1.549 122.108 120.570 -0.019 0.000 2.634 610 I HA 0.568 4.738 4.170 -0.000 0.000 0.284 610 I C 0.529 176.627 176.117 -0.032 0.000 1.124 610 I CA -0.472 60.811 61.300 -0.028 0.000 1.417 610 I CB 0.221 38.207 38.000 -0.022 0.000 1.396 610 I HN 0.734 nan 8.210 nan 0.000 0.571 611 M N 5.723 125.294 119.600 -0.047 0.000 2.027 611 M HA 0.419 4.899 4.480 -0.000 0.000 0.329 611 M C 0.866 177.128 176.300 -0.063 0.000 0.971 611 M CA -0.174 55.099 55.300 -0.046 0.000 0.933 611 M CB 0.859 33.432 32.600 -0.046 0.000 1.392 611 M HN 0.800 nan 8.290 nan 0.000 0.394 612 R N 0.368 120.843 120.500 -0.043 0.000 2.200 612 R HA 0.042 4.382 4.340 -0.000 0.000 0.208 612 R C 1.912 178.194 176.300 -0.030 0.000 1.033 612 R CA 0.516 56.592 56.100 -0.040 0.000 1.000 612 R CB 0.250 30.547 30.300 -0.006 0.000 0.906 612 R HN 0.574 nan 8.270 nan 0.000 0.462 613 R N 2.020 122.507 120.500 -0.022 0.000 2.094 613 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 613 R C 2.279 178.565 176.300 -0.023 0.000 1.137 613 R CA 2.130 58.221 56.100 -0.014 0.000 0.943 613 R CB -0.432 29.862 30.300 -0.010 0.000 0.850 613 R HN 0.287 nan 8.270 nan 0.000 0.433 614 I N -1.222 119.326 120.570 -0.037 0.000 2.286 614 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 614 I C 2.151 178.235 176.117 -0.055 0.000 1.115 614 I CA 1.278 62.553 61.300 -0.041 0.000 1.392 614 I CB -0.569 37.402 38.000 -0.048 0.000 1.065 614 I HN 0.155 nan 8.210 nan 0.000 0.418 615 L N 0.789 121.950 121.223 -0.103 0.000 2.083 615 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 615 L C 2.999 179.885 176.870 0.026 0.000 1.083 615 L CA 1.532 56.279 54.840 -0.156 0.000 0.752 615 L CB -0.584 41.280 42.059 -0.324 0.000 0.899 615 L HN 0.302 nan 8.230 nan 0.000 0.433 616 R N 0.446 120.953 120.500 0.013 0.000 2.092 616 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 616 R C 2.257 178.548 176.300 -0.015 0.000 1.119 616 R CA 1.141 57.251 56.100 0.016 0.000 0.970 616 R CB 0.097 30.407 30.300 0.016 0.000 0.864 616 R HN 0.310 nan 8.270 nan 0.000 0.440 617 K N 0.215 120.607 120.400 -0.013 0.000 2.031 617 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 617 K C 2.152 178.738 176.600 -0.024 0.000 1.049 617 K CA 1.433 57.709 56.287 -0.017 0.000 0.939 617 K CB -0.158 32.335 32.500 -0.012 0.000 0.717 617 K HN 0.190 nan 8.250 nan 0.000 0.438 618 I N 1.497 122.064 120.570 -0.006 0.000 2.163 618 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 618 I C 2.627 178.710 176.117 -0.056 0.000 1.085 618 I CA 1.262 62.569 61.300 0.011 0.000 1.347 618 I CB -0.491 37.558 38.000 0.083 0.000 1.044 618 I HN 0.163 nan 8.210 nan 0.000 0.408 619 A N 0.793 123.526 122.820 -0.145 0.000 1.883 619 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 619 A C 2.540 179.926 177.584 -0.329 0.000 1.186 619 A CA 2.036 53.740 52.037 -0.554 0.000 0.624 619 A CB -0.944 17.499 19.000 -0.929 0.000 0.822 619 A HN 0.455 nan 8.150 nan 0.000 0.444 620 A N -2.080 120.638 122.820 -0.171 0.000 1.972 620 A HA 0.283 4.603 4.320 -0.000 0.000 0.219 620 A C 2.105 179.654 177.584 -0.059 0.000 1.169 620 A CA 1.895 53.880 52.037 -0.086 0.000 0.635 620 A CB -0.936 18.036 19.000 -0.046 0.000 0.810 620 A HN 2.041 nan 8.150 nan 0.000 0.446 621 G N -3.320 105.446 108.800 -0.058 0.000 2.163 621 G HA2 0.128 4.088 3.960 -0.000 0.000 0.213 621 G HA3 0.128 4.088 3.960 -0.000 0.000 0.213 621 G C 0.116 175.004 174.900 -0.019 0.000 0.991 621 G CA 1.056 46.137 45.100 -0.032 0.000 0.653 621 G HN 1.135 nan 8.290 nan 0.000 0.518 628 D N 0.896 121.291 120.400 -0.008 0.000 2.957 628 D HA 0.542 5.182 4.640 -0.000 0.000 0.352 628 D C 1.308 177.601 176.300 -0.012 0.000 1.352 628 D CA 0.744 54.738 54.000 -0.009 0.000 0.831 628 D CB -0.252 40.542 40.800 -0.011 0.000 1.147 628 D HN 0.101 nan 8.370 nan 0.000 0.467 629 T N -0.550 113.998 114.554 -0.009 0.000 2.894 629 T HA -0.052 4.298 4.350 -0.000 0.000 0.258 629 T C 2.662 177.357 174.700 -0.008 0.000 1.043 629 T CA 1.614 63.708 62.100 -0.010 0.000 1.141 629 T CB 0.009 68.873 68.868 -0.006 0.000 0.873 629 T HN 0.556 nan 8.240 nan 0.000 0.449 630 S N 1.256 116.953 115.700 -0.006 0.000 2.442 630 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 630 S C 2.093 176.690 174.600 -0.006 0.000 1.007 630 S CA 1.598 59.796 58.200 -0.005 0.000 0.965 630 S CB -0.954 62.244 63.200 -0.003 0.000 0.773 630 S HN 0.458 nan 8.310 nan 0.000 0.504 631 T N 1.141 115.691 114.554 -0.007 0.000 3.055 631 T HA 0.252 4.602 4.350 -0.000 0.000 0.265 631 T C 0.518 175.212 174.700 -0.010 0.000 1.111 631 T CA -0.041 62.054 62.100 -0.008 0.000 1.118 631 T CB -0.700 68.163 68.868 -0.009 0.000 0.909 631 T HN 0.396 nan 8.240 nan 0.000 0.501 632 L N 1.087 122.303 121.223 -0.012 0.000 2.439 632 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 632 L C 1.917 178.780 176.870 -0.010 0.000 1.179 632 L CA -0.388 54.443 54.840 -0.014 0.000 0.828 632 L CB 0.540 42.589 42.059 -0.018 0.000 1.106 632 L HN 0.074 nan 8.230 nan 0.000 0.467 633 A N 1.427 124.241 122.820 -0.010 0.000 2.067 633 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 633 A C 0.637 178.218 177.584 -0.005 0.000 1.158 633 A CA 1.414 53.447 52.037 -0.007 0.000 0.661 633 A CB -0.296 18.700 19.000 -0.007 0.000 0.801 633 A HN 0.798 nan 8.150 nan 0.000 0.452 634 D N -3.082 117.315 120.400 -0.006 0.000 2.381 634 D HA 0.405 5.045 4.640 -0.000 0.000 0.245 634 D C -1.254 175.044 176.300 -0.004 0.000 1.297 634 D CA -0.370 53.629 54.000 -0.003 0.000 0.931 634 D CB 1.485 42.284 40.800 -0.001 0.000 1.334 634 D HN 0.003 nan 8.370 nan 0.000 0.535 635 P HA 0.023 nan 4.420 nan 0.000 0.231 635 P C 1.193 178.493 177.300 0.001 0.000 1.158 635 P CA 1.487 64.585 63.100 -0.003 0.000 0.763 635 P CB -0.064 31.635 31.700 -0.002 0.000 0.805 636 G N -0.186 108.616 108.800 0.004 0.000 2.572 636 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 636 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 636 G C 1.684 176.592 174.900 0.014 0.000 1.133 636 G CA 1.251 46.357 45.100 0.010 0.000 0.791 636 G HN 0.475 nan 8.290 nan 0.000 0.538 637 V N -0.807 119.111 119.914 0.007 0.000 2.626 637 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 637 V C 2.620 178.723 176.094 0.015 0.000 1.067 637 V CA 1.415 63.721 62.300 0.009 0.000 1.081 637 V CB -0.782 31.035 31.823 -0.011 0.000 0.686 637 V HN 0.128 nan 8.190 nan 0.000 0.468 638 V N 1.326 121.244 119.914 0.007 0.000 2.255 638 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 638 V C 3.310 179.424 176.094 0.034 0.000 1.051 638 V CA 2.941 65.249 62.300 0.013 0.000 1.018 638 V CB -1.682 30.143 31.823 0.005 0.000 0.641 638 V HN 0.735 nan 8.190 nan 0.000 0.445 639 E N 0.507 120.726 120.200 0.031 0.000 2.077 639 E HA -0.272 4.077 4.350 -0.000 0.000 0.193 639 E C 2.315 178.949 176.600 0.056 0.000 0.989 639 E CA 2.368 58.791 56.400 0.039 0.000 0.800 639 E CB -0.888 28.830 29.700 0.029 0.000 0.746 639 E HN 0.741 nan 8.360 nan 0.000 0.452 640 K N 0.596 121.032 120.400 0.060 0.000 2.057 640 K HA 0.172 4.492 4.320 -0.000 0.000 0.206 640 K C 2.379 179.055 176.600 0.127 0.000 1.050 640 K CA 1.273 57.609 56.287 0.081 0.000 0.935 640 K CB -0.882 31.660 32.500 0.069 0.000 0.715 640 K HN 0.437 nan 8.250 nan 0.000 0.439 641 L N 0.245 121.548 121.223 0.133 0.000 2.131 641 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 641 L C 2.735 179.752 176.870 0.245 0.000 1.092 641 L CA 0.893 55.872 54.840 0.230 0.000 0.759 641 L CB -0.458 41.702 42.059 0.169 0.000 0.903 641 L HN 0.305 nan 8.230 nan 0.000 0.435 642 L N -0.007 121.302 121.223 0.142 0.000 1.976 642 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 642 L C 3.222 180.148 176.870 0.093 0.000 1.071 642 L CA 1.833 56.735 54.840 0.104 0.000 0.746 642 L CB -1.142 40.956 42.059 0.064 0.000 0.890 642 L HN 0.328 nan 8.230 nan 0.000 0.432 643 E N 0.711 120.964 120.200 0.088 0.000 2.070 643 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 643 E C 1.875 178.526 176.600 0.085 0.000 1.004 643 E CA 1.876 58.321 56.400 0.074 0.000 0.805 643 E CB -0.887 28.856 29.700 0.070 0.000 0.744 643 E HN 0.675 nan 8.360 nan 0.000 0.451 644 E N -0.382 119.902 120.200 0.141 0.000 2.085 644 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 644 E C 2.346 178.941 176.600 -0.008 0.000 0.994 644 E CA 1.510 58.008 56.400 0.164 0.000 0.801 644 E CB -0.110 29.861 29.700 0.453 0.000 0.743 644 E HN 0.375 nan 8.360 nan 0.000 0.453 645 K N 1.533 121.924 120.400 -0.014 0.000 2.211 645 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 645 K C 1.852 178.431 176.600 -0.036 0.000 1.050 645 K CA 1.249 57.479 56.287 -0.095 0.000 0.945 645 K CB -0.030 32.486 32.500 0.027 0.000 0.732 645 K HN 0.007 nan 8.250 nan 0.000 0.451 646 Q N -0.524 119.278 119.800 0.003 0.000 2.482 646 Q HA 0.121 4.461 4.340 -0.000 0.000 0.209 646 Q C -0.350 175.652 176.000 0.004 0.000 0.961 646 Q CA 0.210 56.017 55.803 0.008 0.000 0.945 646 Q CB 0.161 28.911 28.738 0.020 0.000 1.012 646 Q HN 0.383 nan 8.270 nan 0.000 0.515 647 A N 0.000 122.818 122.820 -0.004 0.000 2.254 647 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 647 A CA 0.000 52.039 52.037 0.003 0.000 0.836 647 A CB 0.000 19.014 19.000 0.023 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486