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 1z6p_1_A DATA FIRST_RESID 7 DATA SEQUENCE QEKRKQISVR GLAGVENVTE LKKNFNRHLH FTLVKDRNVA TPRDYYFALA DATA SEQUENCE HTVRDHLVGR WIRTQQHYYE KDPKRIYYLS LEFYMGRTLQ NTMVNLALEN DATA SEQUENCE ACDEATYQLG LDMEELEEIE EDAGLGNGGL GRLAACFLDS MATLGLAAYG DATA SEQUENCE YGIRYEFGIF NQKICGGWQM EEADDWLRYG NPWEKARPEF TLPVHFYGRV DATA SEQUENCE EHTSQGAKWV DTQVVLAMPY DTPVPGYRNN VVNTMRLWSA KAPNXXXXXX DATA SEQUENCE XXXXGYIQAV LDRNLAENIS RVLYPNDNFF EGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSSKF XXXXXXRTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVIPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG VEPSRQRLP 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.910 176.000 -0.149 0.000 1.003 7 Q CA 0.000 55.675 55.803 -0.213 0.000 1.022 7 Q CB 0.000 28.437 28.738 -0.502 0.000 1.108 8 E N 1.536 121.668 120.200 -0.113 0.000 2.106 8 E HA -0.101 4.246 4.350 -0.005 0.000 0.192 8 E C 1.655 178.222 176.600 -0.055 0.000 0.984 8 E CA 1.298 57.648 56.400 -0.084 0.000 0.806 8 E CB 0.193 29.856 29.700 -0.063 0.000 0.750 8 E HN 0.062 nan 8.360 nan 0.000 0.458 9 K N 1.579 121.953 120.400 -0.043 0.000 2.001 9 K HA -0.110 4.207 4.320 -0.005 0.000 0.208 9 K C 1.918 178.500 176.600 -0.030 0.000 1.048 9 K CA 1.356 57.626 56.287 -0.028 0.000 0.932 9 K CB -0.140 32.350 32.500 -0.017 0.000 0.715 9 K HN 0.011 nan 8.250 nan 0.000 0.437 10 R N 0.891 121.369 120.500 -0.038 0.000 2.112 10 R HA -0.188 4.149 4.340 -0.005 0.000 0.242 10 R C 2.349 178.626 176.300 -0.037 0.000 1.137 10 R CA 1.740 57.819 56.100 -0.034 0.000 0.944 10 R CB -0.631 29.645 30.300 -0.040 0.000 0.857 10 R HN 0.210 nan 8.270 nan 0.000 0.435 11 K N 1.182 121.548 120.400 -0.057 0.000 2.015 11 K HA -0.254 4.063 4.320 -0.005 0.000 0.216 11 K C 2.329 178.912 176.600 -0.029 0.000 1.052 11 K CA 2.094 58.351 56.287 -0.051 0.000 0.937 11 K CB -0.225 32.234 32.500 -0.068 0.000 0.719 11 K HN 0.327 nan 8.250 nan 0.000 0.446 12 Q N 0.439 120.223 119.800 -0.027 0.000 2.135 12 Q HA -0.079 4.258 4.340 -0.005 0.000 0.204 12 Q C 0.581 176.579 176.000 -0.004 0.000 0.981 12 Q CA 0.658 56.452 55.803 -0.015 0.000 0.856 12 Q CB -0.172 28.557 28.738 -0.015 0.000 0.902 12 Q HN 0.342 nan 8.270 nan 0.000 0.425 13 I N 2.403 122.971 120.570 -0.003 0.000 3.051 13 I HA -0.163 4.004 4.170 -0.005 0.000 0.290 13 I C 1.549 177.674 176.117 0.013 0.000 1.166 13 I CA -0.123 61.182 61.300 0.008 0.000 1.479 13 I CB 0.084 38.089 38.000 0.008 0.000 1.505 13 I HN 0.251 nan 8.210 nan 0.000 0.654 14 S N 4.952 120.665 115.700 0.021 0.000 2.383 14 S HA -0.184 4.283 4.470 -0.005 0.000 0.229 14 S C 1.830 176.450 174.600 0.033 0.000 1.030 14 S CA 1.281 59.496 58.200 0.025 0.000 1.002 14 S CB -0.655 62.564 63.200 0.031 0.000 0.829 14 S HN 0.664 nan 8.310 nan 0.000 0.467 15 V N -0.294 119.648 119.914 0.048 0.000 2.913 15 V HA 0.109 4.226 4.120 -0.005 0.000 0.260 15 V C 2.169 178.293 176.094 0.050 0.000 1.098 15 V CA 1.339 63.675 62.300 0.059 0.000 1.121 15 V CB -1.092 30.778 31.823 0.078 0.000 0.714 15 V HN 0.405 nan 8.190 nan 0.000 0.487 16 R N 1.225 121.741 120.500 0.028 0.000 2.313 16 R HA 0.403 4.740 4.340 -0.005 0.000 0.199 16 R C 1.171 177.469 176.300 -0.004 0.000 0.958 16 R CA 0.598 56.706 56.100 0.012 0.000 1.047 16 R CB -0.136 30.166 30.300 0.003 0.000 0.955 16 R HN 0.793 nan 8.270 nan 0.000 0.481 17 G N 0.792 109.590 108.800 -0.004 0.000 2.685 17 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.387 17 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.387 17 G C -0.776 174.116 174.900 -0.014 0.000 1.324 17 G CA -1.004 44.085 45.100 -0.018 0.000 0.878 17 G HN 0.091 nan 8.290 nan 0.000 0.527 18 L N 0.249 121.461 121.223 -0.018 0.000 2.307 18 L HA 0.665 5.002 4.340 -0.005 0.000 0.282 18 L C 1.032 177.894 176.870 -0.013 0.000 1.051 18 L CA -0.329 54.503 54.840 -0.012 0.000 0.804 18 L CB 1.885 43.938 42.059 -0.010 0.000 1.197 18 L HN 1.126 nan 8.230 nan 0.000 0.431 19 A N 2.775 125.590 122.820 -0.008 0.000 3.015 19 A HA 0.512 4.829 4.320 -0.005 0.000 0.293 19 A C 0.660 178.247 177.584 0.005 0.000 1.572 19 A CA -0.360 51.676 52.037 -0.002 0.000 1.274 19 A CB -0.617 18.384 19.000 0.000 0.000 1.156 19 A HN 0.794 nan 8.150 nan 0.000 0.562 20 G N 0.595 109.398 108.800 0.006 0.000 2.365 20 G HA2 0.361 4.318 3.960 -0.005 0.000 0.249 20 G HA3 0.361 4.318 3.960 -0.005 0.000 0.249 20 G C 1.217 176.128 174.900 0.018 0.000 1.288 20 G CA 0.145 45.252 45.100 0.011 0.000 0.887 20 G HN 1.377 nan 8.290 nan 0.000 0.524 21 V N 1.009 120.934 119.914 0.017 0.000 2.317 21 V HA -0.234 3.883 4.120 -0.005 0.000 0.251 21 V C 1.970 178.079 176.094 0.024 0.000 1.065 21 V CA 2.580 64.891 62.300 0.020 0.000 1.049 21 V CB -0.667 31.166 31.823 0.016 0.000 0.651 21 V HN 0.757 nan 8.190 nan 0.000 0.450 22 E N 0.321 120.536 120.200 0.026 0.000 2.170 22 E HA -0.077 4.270 4.350 -0.005 0.000 0.191 22 E C 2.132 178.759 176.600 0.044 0.000 0.981 22 E CA 0.865 57.284 56.400 0.032 0.000 0.830 22 E CB -0.226 29.491 29.700 0.029 0.000 0.775 22 E HN 0.683 nan 8.360 nan 0.000 0.470 23 N N 0.571 119.297 118.700 0.043 0.000 2.166 23 N HA -0.135 4.602 4.740 -0.005 0.000 0.186 23 N C 1.610 177.156 175.510 0.061 0.000 1.019 23 N CA 0.868 53.953 53.050 0.059 0.000 0.856 23 N CB -0.005 38.507 38.487 0.042 0.000 0.993 23 N HN -0.044 nan 8.380 nan 0.000 0.426 24 V N -0.301 119.639 119.914 0.043 0.000 2.626 24 V HA -0.148 3.969 4.120 -0.005 0.000 0.252 24 V C 2.105 178.228 176.094 0.048 0.000 1.067 24 V CA 1.786 64.111 62.300 0.041 0.000 1.081 24 V CB -0.727 31.114 31.823 0.030 0.000 0.686 24 V HN 0.390 nan 8.190 nan 0.000 0.468 25 T N -0.758 113.825 114.554 0.048 0.000 2.809 25 T HA -0.133 4.214 4.350 -0.005 0.000 0.260 25 T C 1.922 176.660 174.700 0.064 0.000 1.039 25 T CA 1.458 63.586 62.100 0.046 0.000 1.141 25 T CB -0.075 68.814 68.868 0.035 0.000 0.869 25 T HN 0.435 nan 8.240 nan 0.000 0.437 26 E N 1.092 121.337 120.200 0.075 0.000 2.097 26 E HA -0.106 4.241 4.350 -0.005 0.000 0.196 26 E C 2.002 178.685 176.600 0.139 0.000 1.000 26 E CA 1.119 57.578 56.400 0.098 0.000 0.804 26 E CB -0.535 29.225 29.700 0.101 0.000 0.740 26 E HN 0.426 nan 8.360 nan 0.000 0.454 27 L N 0.186 121.498 121.223 0.149 0.000 1.970 27 L HA -0.242 4.095 4.340 -0.005 0.000 0.212 27 L C 2.540 179.514 176.870 0.173 0.000 1.071 27 L CA 1.826 56.772 54.840 0.176 0.000 0.751 27 L CB -0.461 41.672 42.059 0.123 0.000 0.889 27 L HN 0.069 nan 8.230 nan 0.000 0.432 28 K N -0.144 120.316 120.400 0.100 0.000 2.113 28 K HA -0.252 4.065 4.320 -0.005 0.000 0.208 28 K C 2.231 178.928 176.600 0.163 0.000 1.047 28 K CA 1.409 57.738 56.287 0.071 0.000 0.928 28 K CB -0.154 32.355 32.500 0.014 0.000 0.716 28 K HN 0.183 nan 8.250 nan 0.000 0.446 29 K N 0.986 121.473 120.400 0.146 0.000 2.025 29 K HA -0.138 4.179 4.320 -0.005 0.000 0.207 29 K C 1.553 178.269 176.600 0.194 0.000 1.049 29 K CA 1.329 57.702 56.287 0.144 0.000 0.933 29 K CB -0.015 32.546 32.500 0.101 0.000 0.714 29 K HN 0.166 nan 8.250 nan 0.000 0.438 30 N N 0.141 118.977 118.700 0.226 0.000 2.300 30 N HA -0.119 4.618 4.740 -0.005 0.000 0.179 30 N C 1.745 177.498 175.510 0.406 0.000 1.016 30 N CA 0.622 53.843 53.050 0.285 0.000 0.876 30 N CB -0.193 38.452 38.487 0.265 0.000 0.979 30 N HN 0.123 nan 8.380 nan 0.000 0.432 31 F N 3.287 123.365 119.950 0.213 0.000 2.010 31 F HA -0.182 4.342 4.527 -0.005 0.000 0.296 31 F C 2.119 178.044 175.800 0.208 0.000 1.146 31 F CA 1.517 59.641 58.000 0.206 0.000 1.181 31 F CB -0.656 38.431 39.000 0.144 0.000 0.965 31 F HN -0.047 nan 8.300 nan 0.000 0.480 32 N N 0.588 119.643 118.700 0.592 0.000 2.060 32 N HA -0.273 4.464 4.740 -0.005 0.000 0.195 32 N C 2.136 177.789 175.510 0.237 0.000 1.028 32 N CA 1.745 55.015 53.050 0.367 0.000 0.861 32 N CB -0.685 37.956 38.487 0.257 0.000 1.029 32 N HN 0.395 nan 8.380 nan 0.000 0.428 33 R N 0.130 120.767 120.500 0.229 0.000 2.070 33 R HA -0.128 4.209 4.340 -0.005 0.000 0.232 33 R C 2.025 178.411 176.300 0.142 0.000 1.138 33 R CA 1.582 57.824 56.100 0.236 0.000 0.936 33 R CB -0.317 30.069 30.300 0.142 0.000 0.839 33 R HN 0.374 nan 8.270 nan 0.000 0.429 34 H N 0.160 119.317 119.070 0.146 0.000 2.289 34 H HA -0.201 4.353 4.556 -0.005 0.000 0.296 34 H C 1.901 177.220 175.328 -0.014 0.000 1.091 34 H CA 2.042 58.116 56.048 0.043 0.000 1.274 34 H CB -0.260 29.496 29.762 -0.010 0.000 1.364 34 H HN 0.125 nan 8.280 nan 0.000 0.490 35 L N 0.025 121.263 121.223 0.024 0.000 2.043 35 L HA -0.250 4.087 4.340 -0.005 0.000 0.212 35 L C 2.242 179.094 176.870 -0.030 0.000 1.075 35 L CA 2.092 56.910 54.840 -0.037 0.000 0.752 35 L CB -0.707 41.352 42.059 0.002 0.000 0.891 35 L HN 0.353 nan 8.230 nan 0.000 0.432 36 H N -1.623 117.383 119.070 -0.106 0.000 2.256 36 H HA -0.163 4.390 4.556 -0.005 0.000 0.301 36 H C 1.881 176.970 175.328 -0.398 0.000 1.062 36 H CA 2.542 58.396 56.048 -0.322 0.000 1.283 36 H CB -0.347 29.097 29.762 -0.530 0.000 1.379 36 H HN 0.311 nan 8.280 nan 0.000 0.493 37 F N -0.487 119.443 119.950 -0.033 0.000 2.325 37 F HA -0.039 4.485 4.527 -0.005 0.000 0.299 37 F C 2.436 178.134 175.800 -0.170 0.000 1.090 37 F CA 1.337 59.267 58.000 -0.116 0.000 1.392 37 F CB -0.188 38.753 39.000 -0.098 0.000 1.053 37 F HN 0.222 nan 8.300 nan 0.000 0.521 38 T N -0.612 113.941 114.554 -0.002 0.000 3.044 38 T HA 0.147 4.494 4.350 -0.005 0.000 0.237 38 T C 1.892 176.513 174.700 -0.132 0.000 1.001 38 T CA 0.490 62.529 62.100 -0.102 0.000 1.160 38 T CB -0.295 68.484 68.868 -0.149 0.000 0.889 38 T HN 0.080 nan 8.240 nan 0.000 0.442 39 L N 1.624 122.775 121.223 -0.121 0.000 2.509 39 L HA 0.198 4.535 4.340 -0.005 0.000 0.222 39 L C 0.394 177.167 176.870 -0.162 0.000 1.123 39 L CA 0.025 54.777 54.840 -0.147 0.000 0.856 39 L CB -0.203 41.778 42.059 -0.131 0.000 0.985 39 L HN 0.047 nan 8.230 nan 0.000 0.456 40 V N -0.322 119.474 119.914 -0.196 0.000 6.086 40 V HA -0.259 3.858 4.120 -0.005 0.000 0.331 40 V C 0.030 175.987 176.094 -0.229 0.000 0.467 40 V CA 1.089 63.234 62.300 -0.258 0.000 0.678 40 V CB -2.272 29.433 31.823 -0.197 0.000 0.318 40 V HN 0.453 nan 8.190 nan 0.000 1.180 41 K N 0.652 120.926 120.400 -0.209 0.000 2.466 41 K HA 0.768 5.085 4.320 -0.005 0.000 0.260 41 K C -0.394 176.174 176.600 -0.053 0.000 1.011 41 K CA -0.345 55.867 56.287 -0.125 0.000 0.871 41 K CB 2.842 35.270 32.500 -0.121 0.000 1.404 41 K HN 0.429 nan 8.250 nan 0.000 0.450 42 D N -0.815 119.578 120.400 -0.010 0.000 2.687 42 D HA 0.285 4.922 4.640 -0.005 0.000 0.264 42 D C 0.344 176.701 176.300 0.094 0.000 1.091 42 D CA -0.523 53.509 54.000 0.054 0.000 1.123 42 D CB 1.066 41.888 40.800 0.038 0.000 1.407 42 D HN 0.170 nan 8.370 nan 0.000 0.591 43 R N -0.300 120.279 120.500 0.132 0.000 2.313 43 R HA 0.056 4.393 4.340 -0.005 0.000 0.199 43 R C 0.814 177.211 176.300 0.161 0.000 0.958 43 R CA 0.304 56.527 56.100 0.204 0.000 1.047 43 R CB -0.703 29.709 30.300 0.186 0.000 0.955 43 R HN 0.495 nan 8.270 nan 0.000 0.481 44 N N -0.034 118.721 118.700 0.091 0.000 2.409 44 N HA -0.081 4.656 4.740 -0.005 0.000 0.174 44 N C 1.174 176.708 175.510 0.040 0.000 1.037 44 N CA 0.470 53.557 53.050 0.061 0.000 0.898 44 N CB 0.674 39.185 38.487 0.040 0.000 1.010 44 N HN 0.044 nan 8.380 nan 0.000 0.445 45 V N -3.301 116.625 119.914 0.020 0.000 3.346 45 V HA 0.650 4.767 4.120 -0.005 0.000 0.309 45 V C 0.496 176.551 176.094 -0.065 0.000 1.457 45 V CA -0.449 61.843 62.300 -0.013 0.000 1.069 45 V CB -0.271 31.537 31.823 -0.025 0.000 0.944 45 V HN 0.141 nan 8.190 nan 0.000 0.449 46 A N 1.590 124.350 122.820 -0.100 0.000 2.332 46 A HA 0.745 5.062 4.320 -0.005 0.000 0.258 46 A C 0.659 178.056 177.584 -0.312 0.000 1.087 46 A CA 0.648 52.494 52.037 -0.319 0.000 0.802 46 A CB 0.307 18.967 19.000 -0.567 0.000 1.042 46 A HN 0.767 nan 8.150 nan 0.000 0.489 47 T N -1.371 112.985 114.554 -0.330 0.000 2.927 47 T HA 0.580 4.927 4.350 -0.005 0.000 0.286 47 T C -2.370 172.268 174.700 -0.105 0.000 1.040 47 T CA -1.578 60.446 62.100 -0.126 0.000 1.010 47 T CB 1.095 69.930 68.868 -0.054 0.000 1.177 47 T HN 0.250 nan 8.240 nan 0.000 0.546 48 P HA -0.029 nan 4.420 nan 0.000 0.221 48 P C 1.420 178.848 177.300 0.213 0.000 1.145 48 P CA 0.729 63.979 63.100 0.251 0.000 0.795 48 P CB 0.112 31.947 31.700 0.226 0.000 0.775 49 R N -0.113 120.451 120.500 0.107 0.000 2.153 49 R HA -0.069 4.268 4.340 -0.005 0.000 0.218 49 R C 1.441 177.912 176.300 0.285 0.000 1.072 49 R CA 1.155 57.363 56.100 0.180 0.000 0.990 49 R CB -0.423 29.908 30.300 0.051 0.000 0.889 49 R HN 0.056 nan 8.270 nan 0.000 0.452 50 D N -0.131 120.301 120.400 0.053 0.000 2.144 50 D HA -0.158 4.479 4.640 -0.005 0.000 0.200 50 D C 1.530 177.834 176.300 0.008 0.000 0.978 50 D CA 1.084 55.064 54.000 -0.033 0.000 0.833 50 D CB -0.189 40.434 40.800 -0.295 0.000 0.961 50 D HN 0.214 nan 8.370 nan 0.000 0.470 51 Y N 0.735 121.117 120.300 0.136 0.000 2.030 51 Y HA -0.292 4.255 4.550 -0.005 0.000 0.274 51 Y C 2.415 178.395 175.900 0.133 0.000 1.153 51 Y CA 0.759 58.963 58.100 0.174 0.000 1.115 51 Y CB -1.556 37.074 38.460 0.284 0.000 0.969 51 Y HN 0.085 nan 8.280 nan 0.000 0.488 52 Y N -0.485 119.971 120.300 0.260 0.000 2.132 52 Y HA -0.352 4.195 4.550 -0.005 0.000 0.280 52 Y C 2.078 177.989 175.900 0.019 0.000 1.193 52 Y CA 1.664 59.825 58.100 0.103 0.000 1.157 52 Y CB -1.082 37.364 38.460 -0.024 0.000 0.966 52 Y HN 0.062 nan 8.280 nan 0.000 0.511 53 F N -0.391 119.297 119.950 -0.436 0.000 2.234 53 F HA 0.021 4.546 4.527 -0.005 0.000 0.296 53 F C 2.588 178.190 175.800 -0.329 0.000 1.089 53 F CA 1.071 58.764 58.000 -0.513 0.000 1.343 53 F CB -1.071 37.833 39.000 -0.161 0.000 1.040 53 F HN 0.172 nan 8.300 nan 0.000 0.498 54 A N 0.223 122.987 122.820 -0.094 0.000 1.851 54 A HA -0.232 4.085 4.320 -0.005 0.000 0.216 54 A C 2.131 179.564 177.584 -0.252 0.000 1.195 54 A CA 1.845 53.697 52.037 -0.308 0.000 0.622 54 A CB -1.316 17.152 19.000 -0.888 0.000 0.831 54 A HN 0.314 nan 8.150 nan 0.000 0.444 55 L N -0.279 120.876 121.223 -0.113 0.000 2.010 55 L HA -0.241 4.096 4.340 -0.005 0.000 0.219 55 L C 2.690 179.495 176.870 -0.108 0.000 1.077 55 L CA 2.723 57.607 54.840 0.074 0.000 0.773 55 L CB -0.828 41.355 42.059 0.207 0.000 0.892 55 L HN 0.400 nan 8.230 nan 0.000 0.436 56 A N -2.339 120.239 122.820 -0.404 0.000 1.970 56 A HA -0.173 4.144 4.320 -0.005 0.000 0.216 56 A C 2.065 179.199 177.584 -0.750 0.000 1.170 56 A CA 1.424 53.109 52.037 -0.587 0.000 0.645 56 A CB -0.872 17.484 19.000 -1.074 0.000 0.816 56 A HN 0.686 nan 8.150 nan 0.000 0.447 57 H N -0.384 118.385 119.070 -0.501 0.000 2.326 57 H HA -0.077 4.476 4.556 -0.005 0.000 0.301 57 H C 2.382 177.381 175.328 -0.550 0.000 1.081 57 H CA 2.109 57.806 56.048 -0.585 0.000 1.334 57 H CB -0.053 29.222 29.762 -0.812 0.000 1.385 57 H HN 0.476 nan 8.280 nan 0.000 0.504 58 T N 0.069 114.428 114.554 -0.325 0.000 2.708 58 T HA -0.164 4.183 4.350 -0.005 0.000 0.266 58 T C 2.291 177.095 174.700 0.174 0.000 1.037 58 T CA 1.279 63.364 62.100 -0.025 0.000 1.146 58 T CB -0.594 68.358 68.868 0.140 0.000 0.865 58 T HN 0.066 nan 8.240 nan 0.000 0.435 59 V N 2.041 122.040 119.914 0.142 0.000 2.250 59 V HA -0.262 3.855 4.120 -0.005 0.000 0.250 59 V C 2.744 179.007 176.094 0.281 0.000 1.060 59 V CA 2.006 64.444 62.300 0.229 0.000 1.030 59 V CB -0.679 31.292 31.823 0.247 0.000 0.643 59 V HN 0.413 nan 8.190 nan 0.000 0.445 60 R N -0.150 120.454 120.500 0.174 0.000 2.152 60 R HA -0.201 4.136 4.340 -0.005 0.000 0.232 60 R C 1.872 178.275 176.300 0.172 0.000 1.117 60 R CA 1.879 58.101 56.100 0.202 0.000 0.981 60 R CB -0.510 29.768 30.300 -0.037 0.000 0.870 60 R HN 0.520 nan 8.270 nan 0.000 0.451 61 D N -0.196 120.277 120.400 0.122 0.000 2.178 61 D HA -0.138 4.499 4.640 -0.005 0.000 0.201 61 D C 1.717 178.026 176.300 0.015 0.000 0.980 61 D CA 0.991 55.028 54.000 0.061 0.000 0.842 61 D CB -0.299 40.503 40.800 0.003 0.000 0.948 61 D HN 0.445 nan 8.370 nan 0.000 0.472 62 H N -0.168 118.953 119.070 0.085 0.000 2.456 62 H HA -0.008 4.545 4.556 -0.005 0.000 0.296 62 H C 2.229 177.599 175.328 0.069 0.000 1.079 62 H CA 0.498 56.588 56.048 0.069 0.000 1.322 62 H CB 0.196 29.991 29.762 0.055 0.000 1.388 62 H HN 0.209 nan 8.280 nan 0.000 0.538 63 L N -0.009 121.339 121.223 0.209 0.000 2.109 63 L HA -0.124 4.213 4.340 -0.005 0.000 0.207 63 L C 2.633 179.620 176.870 0.195 0.000 1.086 63 L CA 0.344 55.277 54.840 0.155 0.000 0.760 63 L CB -0.234 41.901 42.059 0.127 0.000 0.910 63 L HN 0.035 nan 8.230 nan 0.000 0.437 64 V N 0.244 120.278 119.914 0.199 0.000 2.287 64 V HA -0.250 3.867 4.120 -0.005 0.000 0.248 64 V C 2.575 178.785 176.094 0.193 0.000 1.053 64 V CA 2.192 64.637 62.300 0.243 0.000 1.027 64 V CB -1.239 30.677 31.823 0.155 0.000 0.646 64 V HN 0.575 nan 8.190 nan 0.000 0.447 65 G N -0.681 108.188 108.800 0.116 0.000 2.403 65 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.216 65 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.216 65 G C 1.747 176.693 174.900 0.076 0.000 1.154 65 G CA 0.509 45.651 45.100 0.070 0.000 0.784 65 G HN 0.433 nan 8.290 nan 0.000 0.538 66 R N -1.269 119.291 120.500 0.099 0.000 2.075 66 R HA -0.065 4.272 4.340 -0.005 0.000 0.232 66 R C 2.214 178.608 176.300 0.157 0.000 1.126 66 R CA 1.093 57.247 56.100 0.090 0.000 0.963 66 R CB -0.353 29.988 30.300 0.068 0.000 0.858 66 R HN 0.448 nan 8.270 nan 0.000 0.435 67 W N 1.674 122.965 121.300 -0.015 0.000 2.332 67 W HA -0.152 4.505 4.660 -0.005 0.000 0.321 67 W C 1.750 178.248 176.519 -0.036 0.000 1.219 67 W CA 1.162 58.495 57.345 -0.019 0.000 1.277 67 W CB -0.773 28.694 29.460 0.012 0.000 1.161 67 W HN -0.031 nan 8.180 nan 0.000 0.476 68 I N 0.055 120.657 120.570 0.052 0.000 2.127 68 I HA -0.358 3.809 4.170 -0.005 0.000 0.241 68 I C 2.716 178.804 176.117 -0.047 0.000 1.075 68 I CA 1.809 63.057 61.300 -0.086 0.000 1.334 68 I CB -0.651 37.313 38.000 -0.061 0.000 1.040 68 I HN -0.081 nan 8.210 nan 0.000 0.405 69 R N -0.116 120.380 120.500 -0.006 0.000 2.073 69 R HA -0.088 4.249 4.340 -0.005 0.000 0.229 69 R C 2.372 178.648 176.300 -0.040 0.000 1.120 69 R CA 1.777 57.870 56.100 -0.012 0.000 0.967 69 R CB -0.512 29.782 30.300 -0.009 0.000 0.862 69 R HN 0.333 nan 8.270 nan 0.000 0.436 70 T N 1.401 115.916 114.554 -0.065 0.000 2.597 70 T HA -0.205 4.142 4.350 -0.005 0.000 0.267 70 T C 1.776 176.176 174.700 -0.500 0.000 1.053 70 T CA 1.417 63.383 62.100 -0.223 0.000 1.165 70 T CB -0.180 68.597 68.868 -0.151 0.000 0.863 70 T HN 0.231 nan 8.240 nan 0.000 0.427 71 Q N 0.810 120.438 119.800 -0.287 0.000 2.167 71 Q HA -0.051 4.286 4.340 -0.005 0.000 0.202 71 Q C 2.338 178.317 176.000 -0.034 0.000 0.970 71 Q CA 1.016 56.709 55.803 -0.184 0.000 0.855 71 Q CB -0.568 28.129 28.738 -0.068 0.000 0.911 71 Q HN 0.634 nan 8.270 nan 0.000 0.438 72 Q N 0.191 119.982 119.800 -0.015 0.000 2.062 72 Q HA -0.277 4.060 4.340 -0.005 0.000 0.209 72 Q C 2.037 178.119 176.000 0.137 0.000 0.996 72 Q CA 1.963 57.818 55.803 0.086 0.000 0.859 72 Q CB -0.178 28.593 28.738 0.054 0.000 0.920 72 Q HN 0.450 nan 8.270 nan 0.000 0.415 73 H N -0.377 118.662 119.070 -0.052 0.000 2.292 73 H HA -0.235 4.318 4.556 -0.005 0.000 0.292 73 H C 1.694 177.078 175.328 0.094 0.000 1.100 73 H CA 2.592 58.617 56.048 -0.038 0.000 1.238 73 H CB -0.606 29.081 29.762 -0.124 0.000 1.355 73 H HN 0.398 nan 8.280 nan 0.000 0.484 74 Y N -0.987 119.265 120.300 -0.081 0.000 2.165 74 Y HA -0.235 4.312 4.550 -0.005 0.000 0.286 74 Y C 2.656 178.548 175.900 -0.014 0.000 1.155 74 Y CA 1.082 59.130 58.100 -0.088 0.000 1.164 74 Y CB -1.680 36.805 38.460 0.042 0.000 0.978 74 Y HN 0.358 nan 8.280 nan 0.000 0.513 75 Y N 0.855 121.210 120.300 0.092 0.000 2.165 75 Y HA -0.243 4.304 4.550 -0.005 0.000 0.286 75 Y C 2.298 178.209 175.900 0.019 0.000 1.155 75 Y CA 2.095 60.231 58.100 0.060 0.000 1.164 75 Y CB -0.303 38.191 38.460 0.057 0.000 0.978 75 Y HN 0.172 nan 8.280 nan 0.000 0.513 76 E N -0.418 119.697 120.200 -0.143 0.000 2.051 76 E HA -0.137 4.210 4.350 -0.005 0.000 0.189 76 E C 2.214 178.704 176.600 -0.182 0.000 0.979 76 E CA 0.840 57.127 56.400 -0.187 0.000 0.803 76 E CB -0.075 29.622 29.700 -0.005 0.000 0.761 76 E HN 0.092 nan 8.360 nan 0.000 0.451 77 K N 0.778 121.089 120.400 -0.148 0.000 2.155 77 K HA -0.109 4.208 4.320 -0.005 0.000 0.203 77 K C -0.205 176.308 176.600 -0.145 0.000 1.052 77 K CA 0.801 57.005 56.287 -0.139 0.000 0.948 77 K CB -0.093 32.270 32.500 -0.229 0.000 0.728 77 K HN 0.064 nan 8.250 nan 0.000 0.448 78 D N 0.810 121.121 120.400 -0.149 0.000 3.038 78 D HA -0.113 4.524 4.640 -0.005 0.000 0.229 78 D C -2.360 173.880 176.300 -0.101 0.000 1.182 78 D CA 0.055 53.985 54.000 -0.117 0.000 0.852 78 D CB 0.012 40.713 40.800 -0.165 0.000 0.932 78 D HN 0.173 nan 8.370 nan 0.000 0.406 79 P HA 0.060 nan 4.420 nan 0.000 0.275 79 P C -0.059 177.182 177.300 -0.098 0.000 1.270 79 P CA -0.492 62.540 63.100 -0.115 0.000 0.791 79 P CB 0.529 32.135 31.700 -0.158 0.000 1.089 80 K N 0.541 120.884 120.400 -0.094 0.000 2.350 80 K HA 0.118 4.436 4.320 -0.005 0.000 0.279 80 K C -0.030 176.464 176.600 -0.177 0.000 1.027 80 K CA -0.037 56.190 56.287 -0.099 0.000 0.969 80 K CB 0.274 32.733 32.500 -0.068 0.000 0.954 80 K HN 0.285 nan 8.250 nan 0.000 0.474 81 R N 3.713 124.082 120.500 -0.218 0.000 2.514 81 R HA 0.386 4.723 4.340 -0.005 0.000 0.301 81 R C -0.648 175.317 176.300 -0.558 0.000 0.962 81 R CA -0.957 54.907 56.100 -0.392 0.000 0.882 81 R CB 1.113 31.185 30.300 -0.381 0.000 1.143 81 R HN 0.489 nan 8.270 nan 0.000 0.452 82 I N 3.823 124.031 120.570 -0.602 0.000 2.331 82 I HA 0.242 4.409 4.170 -0.005 0.000 0.292 82 I C -0.520 175.293 176.117 -0.506 0.000 0.998 82 I CA -0.934 59.977 61.300 -0.649 0.000 1.267 82 I CB 0.458 37.955 38.000 -0.839 0.000 1.386 82 I HN 0.488 nan 8.210 nan 0.000 0.476 83 Y N 5.705 125.982 120.300 -0.038 0.000 2.352 83 Y HA 0.345 4.892 4.550 -0.005 0.000 0.339 83 Y C -0.393 175.595 175.900 0.146 0.000 0.992 83 Y CA -0.846 57.358 58.100 0.173 0.000 1.100 83 Y CB 1.382 39.911 38.460 0.116 0.000 1.192 83 Y HN 0.410 nan 8.280 nan 0.000 0.458 84 Y N 4.286 124.790 120.300 0.339 0.000 2.721 84 Y HA 0.494 5.041 4.550 -0.004 0.000 0.328 84 Y C -1.356 174.823 175.900 0.465 0.000 1.003 84 Y CA -1.131 57.169 58.100 0.333 0.000 1.275 84 Y CB 0.215 38.856 38.460 0.302 0.000 1.097 84 Y HN 0.576 nan 8.280 nan 0.000 0.514 85 L N 4.581 125.773 121.223 -0.052 0.000 2.315 85 L HA 0.367 4.704 4.340 -0.005 0.000 0.283 85 L C 0.093 176.944 176.870 -0.032 0.000 1.089 85 L CA 0.424 55.314 54.840 0.083 0.000 0.833 85 L CB 0.769 42.871 42.059 0.071 0.000 1.170 85 L HN 0.575 nan 8.230 nan 0.000 0.442 86 S N 2.936 118.731 115.700 0.159 0.000 2.595 86 S HA 0.506 4.973 4.470 -0.005 0.000 0.281 86 S C 0.328 175.041 174.600 0.188 0.000 1.117 86 S CA -0.719 57.499 58.200 0.029 0.000 0.873 86 S CB 1.111 64.141 63.200 -0.282 0.000 1.108 86 S HN 0.465 nan 8.310 nan 0.000 0.477 87 L N 1.795 123.129 121.223 0.186 0.000 2.591 87 L HA 0.439 4.776 4.340 -0.005 0.000 0.228 87 L C -0.141 176.895 176.870 0.276 0.000 1.133 87 L CA 1.021 56.025 54.840 0.273 0.000 0.880 87 L CB -1.151 41.054 42.059 0.244 0.000 1.033 87 L HN 0.730 nan 8.230 nan 0.000 0.450 88 E N -0.964 119.254 120.200 0.030 0.000 2.347 88 E HA 0.316 4.663 4.350 -0.005 0.000 0.285 88 E C -1.562 174.722 176.600 -0.527 0.000 0.925 88 E CA -0.333 56.043 56.400 -0.041 0.000 0.779 88 E CB 1.750 31.422 29.700 -0.047 0.000 1.233 88 E HN -0.171 nan 8.360 nan 0.000 0.414 89 F N 2.203 122.259 119.950 0.175 0.000 2.610 89 F HA 0.205 4.729 4.527 -0.005 0.000 0.355 89 F C -0.676 175.207 175.800 0.139 0.000 1.140 89 F CA -0.739 57.354 58.000 0.156 0.000 1.037 89 F CB 0.926 40.008 39.000 0.135 0.000 1.287 89 F HN 0.504 nan 8.300 nan 0.000 0.457 90 Y N 5.235 125.575 120.300 0.065 0.000 2.736 90 Y HA 0.218 4.765 4.550 -0.004 0.000 0.339 90 Y C 1.057 176.974 175.900 0.029 0.000 1.301 90 Y CA -1.063 57.044 58.100 0.013 0.000 1.676 90 Y CB 0.149 38.597 38.460 -0.019 0.000 1.725 90 Y HN 0.551 nan 8.280 nan 0.000 0.466 91 M N 0.892 120.620 119.600 0.213 0.000 2.132 91 M HA 0.068 4.545 4.480 -0.005 0.000 0.263 91 M C 1.499 177.783 176.300 -0.027 0.000 1.065 91 M CA 1.333 56.679 55.300 0.077 0.000 1.122 91 M CB -1.265 31.365 32.600 0.050 0.000 1.365 91 M HN 0.619 nan 8.290 nan 0.000 0.411 92 G N 0.737 109.530 108.800 -0.012 0.000 2.681 92 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.220 92 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.220 92 G C -0.467 174.392 174.900 -0.069 0.000 1.353 92 G CA -0.442 44.614 45.100 -0.073 0.000 0.872 92 G HN 0.451 nan 8.290 nan 0.000 0.557 93 R N -1.099 119.349 120.500 -0.087 0.000 2.774 93 R HA 0.540 4.877 4.340 -0.005 0.000 0.269 93 R C 1.032 177.216 176.300 -0.193 0.000 1.068 93 R CA 0.564 56.615 56.100 -0.081 0.000 1.180 93 R CB 0.318 30.577 30.300 -0.069 0.000 1.077 93 R HN 0.515 nan 8.270 nan 0.000 0.513 94 T N 0.567 114.947 114.554 -0.289 0.000 2.986 94 T HA 0.017 4.364 4.350 -0.005 0.000 0.264 94 T C 1.185 175.462 174.700 -0.705 0.000 0.964 94 T CA -0.247 61.477 62.100 -0.627 0.000 0.895 94 T CB 0.213 68.448 68.868 -1.056 0.000 1.163 94 T HN 0.370 nan 8.240 nan 0.000 0.517 95 L N 2.047 123.101 121.223 -0.282 0.000 1.948 95 L HA 0.069 4.407 4.340 -0.005 0.000 0.212 95 L C 2.384 179.204 176.870 -0.084 0.000 1.074 95 L CA 2.094 56.921 54.840 -0.023 0.000 0.753 95 L CB -0.944 41.340 42.059 0.376 0.000 0.888 95 L HN 0.155 nan 8.230 nan 0.000 0.432 96 Q N -0.210 119.560 119.800 -0.050 0.000 2.029 96 Q HA -0.331 4.006 4.340 -0.005 0.000 0.209 96 Q C 2.295 178.225 176.000 -0.116 0.000 0.999 96 Q CA 2.434 58.198 55.803 -0.065 0.000 0.857 96 Q CB -0.541 28.158 28.738 -0.065 0.000 0.926 96 Q HN 0.746 nan 8.270 nan 0.000 0.415 97 N N -1.340 117.251 118.700 -0.181 0.000 2.096 97 N HA -0.196 4.541 4.740 -0.005 0.000 0.195 97 N C 1.327 176.728 175.510 -0.181 0.000 1.017 97 N CA 2.079 55.009 53.050 -0.201 0.000 0.870 97 N CB -0.041 38.292 38.487 -0.257 0.000 1.024 97 N HN 0.306 nan 8.380 nan 0.000 0.434 98 T N 0.777 115.189 114.554 -0.237 0.000 2.937 98 T HA 0.079 4.426 4.350 -0.005 0.000 0.260 98 T C 2.061 176.696 174.700 -0.108 0.000 1.051 98 T CA 0.434 62.415 62.100 -0.200 0.000 1.141 98 T CB 0.068 68.741 68.868 -0.326 0.000 0.879 98 T HN 0.212 nan 8.240 nan 0.000 0.459 99 M N 0.837 120.388 119.600 -0.082 0.000 2.065 99 M HA -0.136 4.341 4.480 -0.005 0.000 0.259 99 M C 2.428 178.689 176.300 -0.065 0.000 1.071 99 M CA 1.442 56.706 55.300 -0.060 0.000 1.109 99 M CB -0.807 31.774 32.600 -0.032 0.000 1.313 99 M HN 0.081 nan 8.290 nan 0.000 0.408 100 V N 1.311 121.200 119.914 -0.043 0.000 2.226 100 V HA -0.393 3.724 4.120 -0.005 0.000 0.254 100 V C 1.949 178.052 176.094 0.015 0.000 1.065 100 V CA 2.332 64.638 62.300 0.010 0.000 1.039 100 V CB -1.036 30.802 31.823 0.025 0.000 0.653 100 V HN 0.533 nan 8.190 nan 0.000 0.450 101 N N -0.352 118.348 118.700 0.000 0.000 2.453 101 N HA -0.029 4.708 4.740 -0.005 0.000 0.183 101 N C 1.362 176.753 175.510 -0.198 0.000 1.041 101 N CA 1.013 54.025 53.050 -0.065 0.000 0.900 101 N CB -0.034 38.448 38.487 -0.008 0.000 0.961 101 N HN 0.470 nan 8.380 nan 0.000 0.443 102 L N -0.070 121.065 121.223 -0.146 0.000 2.693 102 L HA 0.294 4.631 4.340 -0.005 0.000 0.235 102 L C 0.784 177.564 176.870 -0.150 0.000 1.127 102 L CA -0.140 54.617 54.840 -0.138 0.000 0.914 102 L CB 0.129 42.135 42.059 -0.090 0.000 1.193 102 L HN -0.062 nan 8.230 nan 0.000 0.502 103 A N 0.281 123.004 122.820 -0.161 0.000 2.905 103 A HA -0.211 4.106 4.320 -0.005 0.000 0.260 103 A C 0.940 178.465 177.584 -0.099 0.000 1.398 103 A CA 1.088 53.047 52.037 -0.131 0.000 0.840 103 A CB -2.065 16.848 19.000 -0.145 0.000 1.059 103 A HN 0.422 nan 8.150 nan 0.000 0.647 104 L N -1.512 119.650 121.223 -0.102 0.000 2.664 104 L HA 0.180 4.517 4.340 -0.005 0.000 0.233 104 L C 1.916 178.743 176.870 -0.070 0.000 1.113 104 L CA 0.743 55.513 54.840 -0.116 0.000 0.896 104 L CB 0.053 41.997 42.059 -0.191 0.000 1.163 104 L HN 0.595 nan 8.230 nan 0.000 0.497 105 E N 1.248 121.420 120.200 -0.046 0.000 2.077 105 E HA -0.227 4.120 4.350 -0.005 0.000 0.193 105 E C 1.612 178.204 176.600 -0.013 0.000 0.989 105 E CA 1.737 58.124 56.400 -0.022 0.000 0.800 105 E CB 0.137 29.828 29.700 -0.016 0.000 0.746 105 E HN 0.549 nan 8.360 nan 0.000 0.452 106 N N -0.341 118.349 118.700 -0.017 0.000 2.216 106 N HA -0.087 4.650 4.740 -0.005 0.000 0.183 106 N C 1.819 177.321 175.510 -0.013 0.000 1.017 106 N CA 0.600 53.641 53.050 -0.016 0.000 0.861 106 N CB -0.082 38.395 38.487 -0.017 0.000 0.986 106 N HN 0.138 nan 8.380 nan 0.000 0.428 107 A N 1.017 123.825 122.820 -0.020 0.000 1.851 107 A HA -0.206 4.111 4.320 -0.005 0.000 0.216 107 A C 2.388 179.972 177.584 0.000 0.000 1.195 107 A CA 1.383 53.413 52.037 -0.012 0.000 0.622 107 A CB -1.113 17.873 19.000 -0.025 0.000 0.831 107 A HN 0.497 nan 8.150 nan 0.000 0.444 108 C N -0.699 118.599 119.300 -0.004 0.000 2.419 108 C HA -0.045 4.412 4.460 -0.005 0.000 0.281 108 C C 2.357 177.363 174.990 0.028 0.000 1.336 108 C CA 0.934 59.965 59.018 0.021 0.000 1.770 108 C CB -1.313 26.448 27.740 0.034 0.000 1.929 108 C HN 0.700 nan 8.230 nan 0.000 0.509 109 D N 0.827 121.238 120.400 0.019 0.000 2.123 109 D HA -0.113 4.524 4.640 -0.005 0.000 0.200 109 D C 2.168 178.494 176.300 0.043 0.000 0.976 109 D CA 1.311 55.325 54.000 0.024 0.000 0.831 109 D CB -0.172 40.629 40.800 0.003 0.000 0.974 109 D HN 0.448 nan 8.370 nan 0.000 0.469 110 E N 0.355 120.575 120.200 0.033 0.000 2.046 110 E HA -0.009 4.338 4.350 -0.005 0.000 0.190 110 E C 1.908 178.559 176.600 0.084 0.000 0.982 110 E CA 1.470 57.912 56.400 0.070 0.000 0.800 110 E CB -0.645 29.078 29.700 0.038 0.000 0.756 110 E HN 0.178 nan 8.360 nan 0.000 0.449 111 A N 0.022 122.862 122.820 0.033 0.000 1.881 111 A HA -0.326 3.991 4.320 -0.005 0.000 0.219 111 A C 2.569 180.111 177.584 -0.069 0.000 1.215 111 A CA 3.656 55.687 52.037 -0.009 0.000 0.648 111 A CB -1.785 17.216 19.000 0.001 0.000 0.832 111 A HN 0.550 nan 8.150 nan 0.000 0.455 112 T N -4.376 110.138 114.554 -0.068 0.000 2.985 112 T HA -0.146 4.201 4.350 -0.005 0.000 0.266 112 T C 1.772 176.417 174.700 -0.092 0.000 1.076 112 T CA 1.480 63.488 62.100 -0.154 0.000 1.135 112 T CB -0.488 68.334 68.868 -0.077 0.000 0.890 112 T HN 0.477 nan 8.240 nan 0.000 0.480 113 Y N 2.463 122.702 120.300 -0.102 0.000 2.097 113 Y HA -0.123 4.424 4.550 -0.004 0.000 0.282 113 Y C 2.468 178.313 175.900 -0.091 0.000 1.152 113 Y CA 1.765 59.817 58.100 -0.080 0.000 1.136 113 Y CB -0.619 37.812 38.460 -0.049 0.000 0.975 113 Y HN 0.286 nan 8.280 nan 0.000 0.498 114 Q N -0.258 119.439 119.800 -0.172 0.000 2.488 114 Q HA -0.012 4.325 4.340 -0.005 0.000 0.211 114 Q C 1.460 177.331 176.000 -0.216 0.000 0.967 114 Q CA 0.773 56.448 55.803 -0.214 0.000 0.926 114 Q CB -0.012 28.682 28.738 -0.072 0.000 0.992 114 Q HN 0.516 nan 8.270 nan 0.000 0.506 115 L N -0.856 120.213 121.223 -0.257 0.000 2.667 115 L HA 0.248 4.585 4.340 -0.005 0.000 0.232 115 L C 0.834 177.527 176.870 -0.294 0.000 1.138 115 L CA 0.014 54.672 54.840 -0.302 0.000 0.921 115 L CB 0.324 42.077 42.059 -0.509 0.000 1.180 115 L HN 0.261 nan 8.230 nan 0.000 0.487 116 G N 1.202 109.830 108.800 -0.285 0.000 2.225 116 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.264 116 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.264 116 G C -0.246 174.531 174.900 -0.206 0.000 1.060 116 G CA -0.081 44.870 45.100 -0.249 0.000 0.833 116 G HN 0.251 nan 8.290 nan 0.000 0.498 117 L N 0.141 121.245 121.223 -0.198 0.000 2.439 117 L HA 0.409 4.746 4.340 -0.005 0.000 0.270 117 L C -0.596 176.253 176.870 -0.036 0.000 0.972 117 L CA -1.157 53.593 54.840 -0.150 0.000 0.836 117 L CB 1.982 43.897 42.059 -0.241 0.000 1.255 117 L HN 0.137 nan 8.230 nan 0.000 0.404 118 D N 3.399 123.810 120.400 0.018 0.000 2.338 118 D HA 0.062 4.699 4.640 -0.005 0.000 0.255 118 D C 0.858 177.200 176.300 0.069 0.000 1.237 118 D CA 0.008 54.045 54.000 0.061 0.000 0.883 118 D CB 1.284 42.123 40.800 0.065 0.000 1.087 118 D HN 0.556 nan 8.370 nan 0.000 0.485 119 M N 3.492 123.135 119.600 0.073 0.000 2.106 119 M HA -0.203 4.274 4.480 -0.005 0.000 0.259 119 M C 1.459 177.816 176.300 0.095 0.000 1.068 119 M CA 1.625 56.980 55.300 0.092 0.000 1.100 119 M CB 0.120 32.765 32.600 0.076 0.000 1.351 119 M HN 0.442 nan 8.290 nan 0.000 0.404 120 E N -0.309 119.935 120.200 0.072 0.000 2.110 120 E HA -0.273 4.074 4.350 -0.005 0.000 0.193 120 E C 1.856 178.500 176.600 0.073 0.000 0.988 120 E CA 1.557 57.996 56.400 0.065 0.000 0.804 120 E CB -0.261 29.470 29.700 0.052 0.000 0.745 120 E HN 0.677 nan 8.360 nan 0.000 0.458 121 E N 0.884 121.131 120.200 0.078 0.000 2.160 121 E HA -0.198 4.149 4.350 -0.005 0.000 0.195 121 E C 2.045 178.704 176.600 0.098 0.000 0.991 121 E CA 0.780 57.229 56.400 0.081 0.000 0.810 121 E CB 0.058 29.804 29.700 0.076 0.000 0.742 121 E HN 0.217 nan 8.360 nan 0.000 0.466 122 L N 0.155 121.459 121.223 0.133 0.000 2.095 122 L HA -0.066 4.271 4.340 -0.005 0.000 0.204 122 L C 2.378 179.356 176.870 0.179 0.000 1.080 122 L CA 0.972 55.932 54.840 0.201 0.000 0.759 122 L CB -0.426 41.798 42.059 0.275 0.000 0.914 122 L HN 0.139 nan 8.230 nan 0.000 0.439 123 E N 0.187 120.475 120.200 0.147 0.000 2.130 123 E HA -0.239 4.108 4.350 -0.005 0.000 0.196 123 E C 1.873 178.454 176.600 -0.031 0.000 0.998 123 E CA 1.075 57.522 56.400 0.079 0.000 0.806 123 E CB 0.020 29.761 29.700 0.069 0.000 0.738 123 E HN 0.323 nan 8.360 nan 0.000 0.459 124 E N 0.324 120.523 120.200 -0.003 0.000 2.472 124 E HA -0.116 4.231 4.350 -0.005 0.000 0.200 124 E C 1.715 178.265 176.600 -0.084 0.000 1.046 124 E CA 0.374 56.764 56.400 -0.016 0.000 0.871 124 E CB 0.102 29.826 29.700 0.040 0.000 0.806 124 E HN 0.373 nan 8.360 nan 0.000 0.533 125 I N 0.472 120.949 120.570 -0.156 0.000 2.830 125 I HA -0.079 4.088 4.170 -0.005 0.000 0.263 125 I C 1.230 177.057 176.117 -0.485 0.000 1.230 125 I CA 0.408 61.544 61.300 -0.272 0.000 1.480 125 I CB -0.713 37.160 38.000 -0.212 0.000 1.095 125 I HN 0.054 nan 8.210 nan 0.000 0.455 126 E N 2.675 122.531 120.200 -0.573 0.000 2.338 126 E HA 0.035 4.382 4.350 -0.005 0.000 0.272 126 E C -0.204 176.287 176.600 -0.181 0.000 1.029 126 E CA -0.364 55.698 56.400 -0.564 0.000 0.872 126 E CB 0.883 30.297 29.700 -0.477 0.000 1.015 126 E HN 0.067 nan 8.360 nan 0.000 0.417 127 E N 3.437 123.605 120.200 -0.053 0.000 2.290 127 E HA 0.064 4.411 4.350 -0.005 0.000 0.277 127 E C -0.895 175.799 176.600 0.156 0.000 1.035 127 E CA -0.191 56.277 56.400 0.114 0.000 0.873 127 E CB 0.877 30.734 29.700 0.261 0.000 1.029 127 E HN 0.514 nan 8.360 nan 0.000 0.419 128 D N 1.255 121.721 120.400 0.109 0.000 2.488 128 D HA 0.053 4.690 4.640 -0.005 0.000 0.238 128 D C -0.151 176.186 176.300 0.061 0.000 1.138 128 D CA 0.266 54.310 54.000 0.072 0.000 0.873 128 D CB 0.559 41.387 40.800 0.046 0.000 1.183 128 D HN 0.415 nan 8.370 nan 0.000 0.458 129 A N 3.165 125.977 122.820 -0.013 0.000 2.981 129 A HA 0.360 4.677 4.320 -0.005 0.000 0.280 129 A C 1.186 178.588 177.584 -0.303 0.000 1.743 129 A CA -0.130 51.683 52.037 -0.373 0.000 1.430 129 A CB -0.592 18.285 19.000 -0.205 0.000 1.085 129 A HN 0.548 nan 8.150 nan 0.000 0.597 130 G N 1.273 109.909 108.800 -0.273 0.000 3.263 130 G HA2 0.344 4.301 3.960 -0.005 0.000 0.246 130 G HA3 0.344 4.301 3.960 -0.005 0.000 0.246 130 G C 0.300 174.966 174.900 -0.390 0.000 0.982 130 G CA -0.240 44.758 45.100 -0.169 0.000 1.897 130 G HN 0.668 nan 8.290 nan 0.000 0.624 131 L N 1.543 122.587 121.223 -0.298 0.000 2.990 131 L HA 0.444 4.781 4.340 -0.005 0.000 0.231 131 L C 0.943 177.693 176.870 -0.201 0.000 1.341 131 L CA -0.300 54.420 54.840 -0.201 0.000 1.208 131 L CB -0.188 41.867 42.059 -0.007 0.000 1.571 131 L HN 0.349 nan 8.230 nan 0.000 0.453 132 G N -1.042 107.415 108.800 -0.571 0.000 2.559 132 G HA2 0.171 4.128 3.960 -0.005 0.000 0.291 132 G HA3 0.171 4.128 3.960 -0.005 0.000 0.291 132 G C -0.280 174.097 174.900 -0.872 0.000 1.424 132 G CA -0.430 44.318 45.100 -0.587 0.000 0.786 132 G HN -0.020 nan 8.290 nan 0.000 0.485 133 N N -1.012 117.454 118.700 -0.389 0.000 2.499 133 N HA 0.239 4.976 4.740 -0.005 0.000 0.182 133 N C 1.152 176.705 175.510 0.072 0.000 1.034 133 N CA 1.230 54.178 53.050 -0.170 0.000 0.882 133 N CB 1.529 40.008 38.487 -0.013 0.000 1.125 133 N HN 0.817 nan 8.380 nan 0.000 0.436 134 G N -0.569 108.343 108.800 0.187 0.000 3.331 134 G HA2 0.195 4.152 3.960 -0.005 0.000 0.153 134 G HA3 0.195 4.152 3.960 -0.005 0.000 0.153 134 G C 0.674 175.692 174.900 0.196 0.000 1.216 134 G CA 0.385 45.644 45.100 0.265 0.000 1.426 134 G HN 0.210 nan 8.290 nan 0.000 0.705 135 G N 0.366 109.227 108.800 0.102 0.000 2.395 135 G HA2 0.095 4.052 3.960 -0.005 0.000 0.214 135 G HA3 0.095 4.052 3.960 -0.005 0.000 0.214 135 G C 1.859 176.753 174.900 -0.011 0.000 1.177 135 G CA 1.175 46.300 45.100 0.041 0.000 0.794 135 G HN 0.632 nan 8.290 nan 0.000 0.532 136 L N 0.798 121.984 121.223 -0.062 0.000 2.012 136 L HA 0.027 4.364 4.340 -0.005 0.000 0.210 136 L C 2.814 179.593 176.870 -0.151 0.000 1.073 136 L CA 2.057 56.764 54.840 -0.221 0.000 0.748 136 L CB -0.576 41.261 42.059 -0.371 0.000 0.891 136 L HN 0.245 nan 8.230 nan 0.000 0.431 137 G N -0.582 108.186 108.800 -0.053 0.000 2.418 137 G HA2 -0.339 3.618 3.960 -0.005 0.000 0.217 137 G HA3 -0.339 3.618 3.960 -0.005 0.000 0.217 137 G C 1.623 176.565 174.900 0.069 0.000 1.158 137 G CA 0.811 45.903 45.100 -0.014 0.000 0.771 137 G HN 0.322 nan 8.290 nan 0.000 0.545 138 R N 0.004 120.593 120.500 0.148 0.000 2.148 138 R HA 0.106 4.443 4.340 -0.005 0.000 0.227 138 R C 2.310 178.610 176.300 0.001 0.000 1.103 138 R CA 0.861 57.018 56.100 0.096 0.000 0.983 138 R CB -0.761 29.556 30.300 0.029 0.000 0.874 138 R HN 0.361 nan 8.270 nan 0.000 0.451 139 L N 0.057 121.209 121.223 -0.118 0.000 2.017 139 L HA 0.009 4.346 4.340 -0.005 0.000 0.208 139 L C 2.105 178.619 176.870 -0.592 0.000 1.073 139 L CA 2.112 56.737 54.840 -0.359 0.000 0.745 139 L CB -0.928 40.889 42.059 -0.403 0.000 0.894 139 L HN 0.236 nan 8.230 nan 0.000 0.432 140 A N -0.191 122.425 122.820 -0.339 0.000 1.896 140 A HA -0.317 4.001 4.320 -0.005 0.000 0.220 140 A C 2.460 180.102 177.584 0.097 0.000 1.206 140 A CA 2.632 54.607 52.037 -0.103 0.000 0.647 140 A CB -1.435 17.455 19.000 -0.183 0.000 0.828 140 A HN 0.626 nan 8.150 nan 0.000 0.455 141 A N -1.641 121.258 122.820 0.132 0.000 1.930 141 A HA -0.127 4.190 4.320 -0.005 0.000 0.217 141 A C 2.324 180.000 177.584 0.152 0.000 1.175 141 A CA 1.649 53.812 52.037 0.212 0.000 0.627 141 A CB -1.191 17.913 19.000 0.174 0.000 0.815 141 A HN 0.630 nan 8.150 nan 0.000 0.443 142 C N -1.581 117.797 119.300 0.130 0.000 2.440 142 C HA -0.015 4.442 4.460 -0.005 0.000 0.278 142 C C 2.412 177.567 174.990 0.275 0.000 1.295 142 C CA 0.512 59.648 59.018 0.197 0.000 1.738 142 C CB -1.521 26.356 27.740 0.230 0.000 1.987 142 C HN 0.605 nan 8.230 nan 0.000 0.492 143 F N 0.713 120.659 119.950 -0.007 0.000 2.051 143 F HA -0.082 4.442 4.527 -0.005 0.000 0.296 143 F C 2.133 177.888 175.800 -0.075 0.000 1.122 143 F CA 1.037 58.973 58.000 -0.108 0.000 1.201 143 F CB -1.622 37.163 39.000 -0.357 0.000 0.978 143 F HN 0.037 nan 8.300 nan 0.000 0.472 144 L N 0.632 121.958 121.223 0.173 0.000 2.064 144 L HA -0.353 3.984 4.340 -0.005 0.000 0.234 144 L C 2.472 179.376 176.870 0.057 0.000 1.103 144 L CA 2.418 57.325 54.840 0.111 0.000 0.824 144 L CB -1.578 40.563 42.059 0.137 0.000 0.919 144 L HN 0.277 nan 8.230 nan 0.000 0.447 145 D N -1.104 119.332 120.400 0.059 0.000 2.133 145 D HA -0.205 4.432 4.640 -0.005 0.000 0.192 145 D C 1.915 178.244 176.300 0.047 0.000 1.001 145 D CA 2.009 56.030 54.000 0.035 0.000 0.844 145 D CB 0.249 41.069 40.800 0.034 0.000 0.944 145 D HN 0.423 nan 8.370 nan 0.000 0.447 146 S N -0.311 115.434 115.700 0.075 0.000 2.406 146 S HA -0.029 4.438 4.470 -0.005 0.000 0.228 146 S C 2.091 176.710 174.600 0.032 0.000 1.020 146 S CA 0.600 58.833 58.200 0.056 0.000 0.965 146 S CB -0.094 63.150 63.200 0.073 0.000 0.798 146 S HN 0.374 nan 8.310 nan 0.000 0.488 147 M N 0.930 120.544 119.600 0.025 0.000 2.296 147 M HA -0.052 4.425 4.480 -0.005 0.000 0.265 147 M C 2.357 178.664 176.300 0.011 0.000 1.064 147 M CA 1.127 56.434 55.300 0.012 0.000 1.109 147 M CB -0.528 32.064 32.600 -0.014 0.000 1.396 147 M HN 0.396 nan 8.290 nan 0.000 0.430 148 A N 0.073 122.904 122.820 0.018 0.000 1.874 148 A HA -0.077 4.240 4.320 -0.005 0.000 0.214 148 A C 2.143 179.754 177.584 0.045 0.000 1.189 148 A CA 1.708 53.762 52.037 0.028 0.000 0.615 148 A CB -1.015 17.990 19.000 0.008 0.000 0.830 148 A HN 0.379 nan 8.150 nan 0.000 0.443 149 T N 0.514 115.096 114.554 0.047 0.000 2.822 149 T HA -0.091 4.256 4.350 -0.005 0.000 0.270 149 T C 1.324 176.055 174.700 0.052 0.000 1.064 149 T CA 1.359 63.497 62.100 0.063 0.000 1.131 149 T CB -0.293 68.615 68.868 0.067 0.000 0.858 149 T HN 0.330 nan 8.240 nan 0.000 0.483 150 L N 0.042 121.291 121.223 0.043 0.000 2.667 150 L HA 0.318 4.655 4.340 -0.005 0.000 0.232 150 L C 1.623 178.519 176.870 0.043 0.000 1.138 150 L CA -0.037 54.827 54.840 0.039 0.000 0.921 150 L CB -0.162 41.918 42.059 0.035 0.000 1.180 150 L HN 0.410 nan 8.230 nan 0.000 0.487 151 G N 1.279 110.112 108.800 0.055 0.000 2.249 151 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.273 151 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.273 151 G C 0.122 175.050 174.900 0.047 0.000 1.036 151 G CA 0.066 45.214 45.100 0.081 0.000 0.824 151 G HN 0.267 nan 8.290 nan 0.000 0.504 152 L N -0.457 120.760 121.223 -0.010 0.000 2.375 152 L HA 0.619 4.956 4.340 -0.005 0.000 0.271 152 L C 1.228 177.891 176.870 -0.345 0.000 1.107 152 L CA -0.322 54.444 54.840 -0.124 0.000 0.806 152 L CB 1.540 43.547 42.059 -0.088 0.000 1.146 152 L HN 0.241 nan 8.230 nan 0.000 0.447 153 A N 2.456 124.883 122.820 -0.655 0.000 3.091 153 A HA 0.566 4.883 4.320 -0.005 0.000 0.264 153 A C 0.362 177.473 177.584 -0.788 0.000 1.673 153 A CA -0.257 51.022 52.037 -1.264 0.000 1.362 153 A CB -0.654 17.532 19.000 -1.356 0.000 1.137 153 A HN 0.689 nan 8.150 nan 0.000 0.617 154 A N 0.808 123.256 122.820 -0.621 0.000 2.312 154 A HA 0.743 5.060 4.320 -0.005 0.000 0.326 154 A C -0.993 176.274 177.584 -0.530 0.000 1.172 154 A CA -0.354 51.413 52.037 -0.449 0.000 0.821 154 A CB 0.467 19.309 19.000 -0.263 0.000 1.166 154 A HN 0.554 nan 8.150 nan 0.000 0.493 155 Y N 0.557 120.853 120.300 -0.007 0.000 2.361 155 Y HA 0.522 5.069 4.550 -0.005 0.000 0.337 155 Y C 0.917 176.949 175.900 0.220 0.000 0.965 155 Y CA -0.473 57.698 58.100 0.118 0.000 1.091 155 Y CB 2.144 40.810 38.460 0.344 0.000 1.182 155 Y HN 0.825 nan 8.280 nan 0.000 0.450 156 G N 2.247 111.155 108.800 0.180 0.000 2.370 156 G HA2 0.396 4.353 3.960 -0.005 0.000 0.272 156 G HA3 0.396 4.353 3.960 -0.005 0.000 0.272 156 G C -1.674 173.212 174.900 -0.024 0.000 1.208 156 G CA -0.143 45.061 45.100 0.173 0.000 0.856 156 G HN 0.559 nan 8.290 nan 0.000 0.500 157 Y N 0.873 121.324 120.300 0.252 0.000 2.373 157 Y HA 0.598 5.145 4.550 -0.005 0.000 0.336 157 Y C 0.711 176.841 175.900 0.384 0.000 0.979 157 Y CA 0.211 58.435 58.100 0.207 0.000 1.080 157 Y CB 2.685 41.298 38.460 0.255 0.000 1.190 157 Y HN 0.901 nan 8.280 nan 0.000 0.446 158 G N 2.156 111.236 108.800 0.467 0.000 2.793 158 G HA2 0.475 4.432 3.960 -0.005 0.000 0.248 158 G HA3 0.475 4.432 3.960 -0.005 0.000 0.248 158 G C -2.003 173.143 174.900 0.411 0.000 1.198 158 G CA -0.735 44.687 45.100 0.537 0.000 0.865 158 G HN 0.576 nan 8.290 nan 0.000 0.534 159 I N 0.537 121.260 120.570 0.255 0.000 2.465 159 I HA 0.615 4.782 4.170 -0.005 0.000 0.291 159 I C 0.090 176.110 176.117 -0.161 0.000 1.014 159 I CA -1.085 60.253 61.300 0.063 0.000 1.093 159 I CB 1.787 39.710 38.000 -0.129 0.000 1.267 159 I HN 0.454 nan 8.210 nan 0.000 0.431 160 R N 6.895 127.406 120.500 0.018 0.000 2.272 160 R HA 0.231 4.568 4.340 -0.005 0.000 0.334 160 R C -1.634 174.691 176.300 0.041 0.000 1.117 160 R CA -0.209 55.929 56.100 0.064 0.000 0.966 160 R CB 0.173 30.515 30.300 0.069 0.000 1.049 160 R HN 0.544 nan 8.270 nan 0.000 0.477 161 Y N 2.323 122.778 120.300 0.259 0.000 2.304 161 Y HA 0.035 4.582 4.550 -0.005 0.000 0.327 161 Y C 1.474 177.555 175.900 0.301 0.000 1.209 161 Y CA -0.249 57.989 58.100 0.229 0.000 1.299 161 Y CB 1.100 39.662 38.460 0.171 0.000 1.249 161 Y HN 0.621 nan 8.280 nan 0.000 0.519 162 E N 1.557 121.908 120.200 0.251 0.000 2.049 162 E HA -0.169 4.178 4.350 -0.005 0.000 0.198 162 E C -0.715 175.735 176.600 -0.250 0.000 1.007 162 E CA 1.351 57.685 56.400 -0.110 0.000 0.809 162 E CB -0.034 29.463 29.700 -0.339 0.000 0.749 162 E HN 0.353 nan 8.360 nan 0.000 0.450 163 F N -0.102 120.069 119.950 0.368 0.000 2.460 163 F HA 0.406 4.930 4.527 -0.005 0.000 0.341 163 F C 0.821 176.686 175.800 0.110 0.000 1.130 163 F CA -0.829 57.329 58.000 0.263 0.000 0.962 163 F CB 1.682 40.773 39.000 0.151 0.000 1.171 163 F HN -0.136 nan 8.300 nan 0.000 0.436 164 G N 1.798 110.691 108.800 0.154 0.000 2.494 164 G HA2 0.315 4.272 3.960 -0.005 0.000 0.270 164 G HA3 0.315 4.272 3.960 -0.005 0.000 0.270 164 G C -0.447 174.396 174.900 -0.096 0.000 1.423 164 G CA -0.697 44.318 45.100 -0.141 0.000 1.055 164 G HN 0.602 nan 8.290 nan 0.000 0.536 165 I N 1.013 121.449 120.570 -0.223 0.000 2.741 165 I HA 0.178 4.346 4.170 -0.005 0.000 0.288 165 I C 0.698 176.732 176.117 -0.137 0.000 1.192 165 I CA -0.960 60.207 61.300 -0.221 0.000 1.426 165 I CB -0.524 37.239 38.000 -0.395 0.000 1.367 165 I HN 0.368 nan 8.210 nan 0.000 0.563 166 F N 5.213 125.167 119.950 0.006 0.000 2.628 166 F HA -0.010 4.515 4.527 -0.005 0.000 0.362 166 F C 0.345 176.189 175.800 0.073 0.000 1.106 166 F CA -0.346 57.677 58.000 0.038 0.000 1.333 166 F CB -0.739 38.270 39.000 0.015 0.000 0.996 166 F HN 0.558 nan 8.300 nan 0.000 0.608 167 N N 2.336 121.149 118.700 0.189 0.000 2.470 167 N HA 0.053 4.790 4.740 -0.005 0.000 0.268 167 N C -0.716 174.976 175.510 0.304 0.000 1.136 167 N CA -0.678 52.469 53.050 0.160 0.000 0.961 167 N CB 0.635 39.228 38.487 0.176 0.000 1.067 167 N HN 0.691 nan 8.380 nan 0.000 0.468 168 Q N 2.720 122.673 119.800 0.255 0.000 2.267 168 Q HA 0.178 4.515 4.340 -0.005 0.000 0.255 168 Q C -1.032 175.127 176.000 0.266 0.000 0.923 168 Q CA -0.246 55.767 55.803 0.349 0.000 0.925 168 Q CB 0.661 29.605 28.738 0.343 0.000 1.195 168 Q HN 0.397 nan 8.270 nan 0.000 0.417 169 K N 4.429 124.972 120.400 0.239 0.000 2.324 169 K HA 0.479 4.796 4.320 -0.005 0.000 0.253 169 K C -0.650 176.055 176.600 0.174 0.000 0.932 169 K CA -0.910 55.495 56.287 0.197 0.000 0.799 169 K CB 1.645 34.241 32.500 0.159 0.000 1.154 169 K HN 0.606 nan 8.250 nan 0.000 0.425 170 I N 1.645 122.312 120.570 0.161 0.000 2.359 170 I HA 0.219 4.386 4.170 -0.005 0.000 0.294 170 I C 0.013 176.198 176.117 0.114 0.000 0.987 170 I CA -0.713 60.654 61.300 0.112 0.000 1.225 170 I CB 1.201 39.249 38.000 0.080 0.000 1.366 170 I HN 0.569 nan 8.210 nan 0.000 0.466 171 C N 4.953 124.329 119.300 0.126 0.000 2.383 171 C HA 0.621 5.078 4.460 -0.005 0.000 0.330 171 C C 0.996 176.089 174.990 0.173 0.000 1.168 171 C CA 0.276 59.373 59.018 0.132 0.000 1.374 171 C CB -0.152 27.662 27.740 0.123 0.000 2.014 171 C HN 1.130 nan 8.230 nan 0.000 0.439 172 G N 4.073 112.946 108.800 0.121 0.000 2.249 172 G HA2 0.091 4.048 3.960 -0.005 0.000 0.273 172 G HA3 0.091 4.048 3.960 -0.005 0.000 0.273 172 G C 1.308 176.246 174.900 0.062 0.000 1.036 172 G CA 1.223 46.405 45.100 0.137 0.000 0.824 172 G HN 2.687 nan 8.290 nan 0.000 0.504 173 G N -2.726 106.046 108.800 -0.047 0.000 2.189 173 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.267 173 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.267 173 G C 0.442 175.140 174.900 -0.337 0.000 0.975 173 G CA 0.823 45.777 45.100 -0.243 0.000 0.644 173 G HN 1.219 nan 8.290 nan 0.000 0.537 174 W N 0.736 121.993 121.300 -0.071 0.000 2.449 174 W HA 0.631 5.289 4.660 -0.005 0.000 0.331 174 W C 0.731 177.206 176.519 -0.073 0.000 1.119 174 W CA -0.869 56.424 57.345 -0.087 0.000 1.240 174 W CB 0.762 30.187 29.460 -0.059 0.000 1.251 174 W HN 0.248 nan 8.180 nan 0.000 0.576 175 Q N 3.099 122.992 119.800 0.156 0.000 2.289 175 Q HA 0.115 4.452 4.340 -0.005 0.000 0.273 175 Q C -0.602 175.468 176.000 0.116 0.000 1.029 175 Q CA 0.180 56.062 55.803 0.133 0.000 0.896 175 Q CB 0.473 29.285 28.738 0.124 0.000 1.182 175 Q HN 0.270 nan 8.270 nan 0.000 0.385 176 M N 3.819 123.482 119.600 0.105 0.000 2.114 176 M HA 0.293 4.770 4.480 -0.005 0.000 0.332 176 M C -1.007 175.336 176.300 0.071 0.000 1.014 176 M CA -0.613 54.721 55.300 0.056 0.000 0.956 176 M CB 1.197 33.842 32.600 0.075 0.000 1.551 176 M HN 0.557 nan 8.290 nan 0.000 0.427 177 E N 2.217 122.379 120.200 -0.064 0.000 2.257 177 E HA 0.247 4.594 4.350 -0.005 0.000 0.278 177 E C -0.542 176.080 176.600 0.037 0.000 1.049 177 E CA 0.181 56.524 56.400 -0.096 0.000 0.876 177 E CB 0.743 30.151 29.700 -0.486 0.000 1.035 177 E HN 0.415 nan 8.360 nan 0.000 0.419 178 E N 1.192 121.491 120.200 0.164 0.000 2.221 178 E HA 0.577 4.924 4.350 -0.005 0.000 0.268 178 E C -0.771 175.914 176.600 0.141 0.000 0.933 178 E CA -1.225 55.242 56.400 0.111 0.000 0.809 178 E CB 1.701 31.476 29.700 0.124 0.000 1.190 178 E HN 0.567 nan 8.360 nan 0.000 0.406 179 A N 1.718 124.559 122.820 0.035 0.000 2.462 179 A HA 0.082 4.399 4.320 -0.005 0.000 0.243 179 A C -0.216 177.495 177.584 0.212 0.000 1.076 179 A CA -0.040 51.972 52.037 -0.042 0.000 0.773 179 A CB 0.112 18.840 19.000 -0.454 0.000 1.010 179 A HN 0.687 nan 8.150 nan 0.000 0.493 180 D N 1.303 121.950 120.400 0.412 0.000 2.499 180 D HA 0.253 4.890 4.640 -0.005 0.000 0.225 180 D C -0.671 176.036 176.300 0.677 0.000 1.124 180 D CA -0.326 53.942 54.000 0.447 0.000 0.938 180 D CB 0.510 41.483 40.800 0.289 0.000 1.014 180 D HN 0.326 nan 8.370 nan 0.000 0.517 181 D N 3.904 124.657 120.400 0.587 0.000 2.713 181 D HA 0.002 4.639 4.640 -0.005 0.000 0.229 181 D C 0.894 177.320 176.300 0.211 0.000 1.136 181 D CA -0.643 53.589 54.000 0.385 0.000 1.010 181 D CB -0.080 40.970 40.800 0.417 0.000 1.084 181 D HN 0.596 nan 8.370 nan 0.000 0.495 182 W N 2.269 123.608 121.300 0.066 0.000 2.678 182 W HA 0.021 4.678 4.660 -0.005 0.000 0.256 182 W C 0.096 176.672 176.519 0.095 0.000 1.280 182 W CA 0.041 57.443 57.345 0.095 0.000 1.345 182 W CB -0.572 28.943 29.460 0.092 0.000 1.118 182 W HN 0.170 nan 8.180 nan 0.000 0.629 183 L N 1.048 121.835 121.223 -0.726 0.000 2.607 183 L HA 0.170 4.507 4.340 -0.005 0.000 0.228 183 L C 2.676 179.401 176.870 -0.243 0.000 1.123 183 L CA -0.058 54.403 54.840 -0.633 0.000 0.890 183 L CB -0.626 40.930 42.059 -0.839 0.000 1.103 183 L HN -0.101 nan 8.230 nan 0.000 0.468 184 R N 0.997 121.416 120.500 -0.134 0.000 2.227 184 R HA -0.290 4.047 4.340 -0.005 0.000 0.246 184 R C 1.487 177.708 176.300 -0.132 0.000 1.119 184 R CA 2.546 58.548 56.100 -0.163 0.000 0.930 184 R CB -0.428 29.728 30.300 -0.240 0.000 0.912 184 R HN 0.299 nan 8.270 nan 0.000 0.435 185 Y N -0.628 119.702 120.300 0.050 0.000 2.457 185 Y HA 0.312 4.859 4.550 -0.005 0.000 0.263 185 Y C 0.884 176.874 175.900 0.149 0.000 1.164 185 Y CA 0.599 58.774 58.100 0.126 0.000 1.274 185 Y CB 1.098 39.715 38.460 0.262 0.000 1.097 185 Y HN 0.596 nan 8.280 nan 0.000 0.523 186 G N 1.108 110.025 108.800 0.196 0.000 2.612 186 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.686 186 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.686 186 G C -1.455 173.546 174.900 0.168 0.000 1.274 186 G CA -0.846 44.340 45.100 0.144 0.000 0.849 186 G HN 0.192 nan 8.290 nan 0.000 0.595 187 N N 0.913 119.661 118.700 0.080 0.000 2.531 187 N HA 0.567 5.304 4.740 -0.005 0.000 0.268 187 N C -0.954 174.581 175.510 0.042 0.000 1.023 187 N CA -1.955 51.126 53.050 0.052 0.000 0.896 187 N CB 2.204 40.658 38.487 -0.055 0.000 1.233 187 N HN 0.243 nan 8.380 nan 0.000 0.512 188 P HA 0.042 nan 4.420 nan 0.000 0.237 188 P C 0.590 177.624 177.300 -0.445 0.000 1.178 188 P CA 0.665 63.526 63.100 -0.397 0.000 0.766 188 P CB 0.160 31.306 31.700 -0.922 0.000 0.876 189 W N 1.912 123.251 121.300 0.064 0.000 2.539 189 W HA 0.050 4.707 4.660 -0.005 0.000 0.299 189 W C 1.347 177.928 176.519 0.103 0.000 1.165 189 W CA -0.272 57.104 57.345 0.051 0.000 1.400 189 W CB -0.689 28.791 29.460 0.033 0.000 1.123 189 W HN -0.103 nan 8.180 nan 0.000 0.533 190 E N 2.206 122.605 120.200 0.333 0.000 2.418 190 E HA 0.081 4.428 4.350 -0.005 0.000 0.261 190 E C -0.524 176.271 176.600 0.325 0.000 1.070 190 E CA -0.122 56.476 56.400 0.330 0.000 0.931 190 E CB 0.812 30.715 29.700 0.339 0.000 0.954 190 E HN -0.291 nan 8.360 nan 0.000 0.439 191 K N 1.587 122.200 120.400 0.356 0.000 2.559 191 K HA 0.378 4.695 4.320 -0.005 0.000 0.249 191 K C -1.107 175.547 176.600 0.089 0.000 0.958 191 K CA -0.444 55.985 56.287 0.238 0.000 0.901 191 K CB 1.401 34.042 32.500 0.234 0.000 1.124 191 K HN 0.661 nan 8.250 nan 0.000 0.437 192 A N 3.923 126.719 122.820 -0.039 0.000 2.565 192 A HA 0.172 4.489 4.320 -0.005 0.000 0.237 192 A C -0.110 177.303 177.584 -0.285 0.000 1.053 192 A CA 0.218 51.976 52.037 -0.465 0.000 0.755 192 A CB 0.158 18.938 19.000 -0.366 0.000 0.980 192 A HN 0.623 nan 8.150 nan 0.000 0.506 193 R N 3.165 123.471 120.500 -0.324 0.000 3.194 193 R HA 0.221 4.558 4.340 -0.005 0.000 0.306 193 R C -2.167 174.111 176.300 -0.037 0.000 1.347 193 R CA -2.173 53.873 56.100 -0.089 0.000 1.540 193 R CB 0.352 30.657 30.300 0.008 0.000 1.352 193 R HN 0.551 nan 8.270 nan 0.000 0.621 194 P HA -0.172 nan 4.420 nan 0.000 0.218 194 P C 0.838 178.131 177.300 -0.011 0.000 1.148 194 P CA 1.108 64.180 63.100 -0.047 0.000 0.822 194 P CB 0.323 31.993 31.700 -0.050 0.000 0.784 195 E N -0.640 119.524 120.200 -0.059 0.000 2.516 195 E HA -0.101 4.246 4.350 -0.005 0.000 0.199 195 E C 0.713 177.165 176.600 -0.247 0.000 1.069 195 E CA 0.524 56.830 56.400 -0.157 0.000 0.876 195 E CB -0.869 28.692 29.700 -0.231 0.000 0.843 195 E HN 0.316 nan 8.360 nan 0.000 0.530 196 F N 1.447 121.395 119.950 -0.003 0.000 2.668 196 F HA 0.183 4.707 4.527 -0.005 0.000 0.301 196 F C 0.448 176.329 175.800 0.134 0.000 1.106 196 F CA -0.464 57.564 58.000 0.047 0.000 1.289 196 F CB 0.760 39.774 39.000 0.023 0.000 1.006 196 F HN -0.250 nan 8.300 nan 0.000 0.535 197 T N 3.248 117.942 114.554 0.233 0.000 2.905 197 T HA 0.133 4.481 4.350 -0.005 0.000 0.299 197 T C 0.097 174.899 174.700 0.170 0.000 1.024 197 T CA 0.584 62.819 62.100 0.225 0.000 1.151 197 T CB 0.353 69.301 68.868 0.133 0.000 0.987 197 T HN 0.048 nan 8.240 nan 0.000 0.535 198 L N 5.738 127.032 121.223 0.119 0.000 2.319 198 L HA 0.568 4.905 4.340 -0.005 0.000 0.267 198 L C -2.099 174.725 176.870 -0.077 0.000 1.011 198 L CA -2.552 52.280 54.840 -0.014 0.000 0.818 198 L CB 2.212 44.184 42.059 -0.145 0.000 1.316 198 L HN 0.409 nan 8.230 nan 0.000 0.432 199 P HA 0.313 nan 4.420 nan 0.000 0.292 199 P C -1.259 175.955 177.300 -0.143 0.000 1.283 199 P CA -0.448 62.596 63.100 -0.093 0.000 0.835 199 P CB 2.139 33.826 31.700 -0.022 0.000 1.017 200 V N 3.856 123.627 119.914 -0.239 0.000 2.540 200 V HA 0.332 4.449 4.120 -0.005 0.000 0.302 200 V C 0.021 175.828 176.094 -0.478 0.000 1.035 200 V CA -0.541 61.577 62.300 -0.303 0.000 0.873 200 V CB 1.395 33.060 31.823 -0.264 0.000 0.992 200 V HN 0.596 nan 8.190 nan 0.000 0.428 201 H N 4.448 123.260 119.070 -0.430 0.000 2.511 201 H HA 0.541 5.094 4.556 -0.005 0.000 0.328 201 H C -1.281 173.759 175.328 -0.480 0.000 1.044 201 H CA -0.129 55.634 56.048 -0.476 0.000 1.212 201 H CB 1.610 30.858 29.762 -0.856 0.000 1.428 201 H HN 0.468 nan 8.280 nan 0.000 0.483 202 F N 1.587 121.574 119.950 0.061 0.000 2.579 202 F HA 0.232 4.756 4.527 -0.005 0.000 0.324 202 F C 0.044 175.998 175.800 0.257 0.000 1.058 202 F CA -0.441 57.616 58.000 0.095 0.000 0.944 202 F CB 0.846 39.787 39.000 -0.098 0.000 1.245 202 F HN 0.551 nan 8.300 nan 0.000 0.477 203 Y N 0.096 120.679 120.300 0.472 0.000 2.904 203 Y HA -0.017 4.530 4.550 -0.005 0.000 0.466 203 Y C 1.434 177.609 175.900 0.459 0.000 1.202 203 Y CA 0.602 58.912 58.100 0.349 0.000 2.491 203 Y CB -1.949 36.648 38.460 0.229 0.000 1.237 203 Y HN 1.219 nan 8.280 nan 0.000 0.633 204 G N 0.786 109.867 108.800 0.468 0.000 2.525 204 G HA2 0.097 4.054 3.960 -0.005 0.000 0.248 204 G HA3 0.097 4.054 3.960 -0.005 0.000 0.248 204 G C -0.418 174.698 174.900 0.360 0.000 1.238 204 G CA 1.392 46.694 45.100 0.337 0.000 0.926 204 G HN 1.440 nan 8.290 nan 0.000 0.574 205 R N -2.530 118.206 120.500 0.393 0.000 2.728 205 R HA 0.670 5.007 4.340 -0.005 0.000 0.274 205 R C -1.709 174.760 176.300 0.282 0.000 1.030 205 R CA -0.872 55.389 56.100 0.269 0.000 0.876 205 R CB 1.235 31.627 30.300 0.153 0.000 1.259 205 R HN 1.052 nan 8.270 nan 0.000 0.468 206 V N 0.859 120.836 119.914 0.105 0.000 2.487 206 V HA 0.396 4.513 4.120 -0.005 0.000 0.298 206 V C -0.503 175.509 176.094 -0.137 0.000 1.028 206 V CA -0.677 61.603 62.300 -0.033 0.000 0.860 206 V CB 1.556 33.293 31.823 -0.143 0.000 0.991 206 V HN 0.716 nan 8.190 nan 0.000 0.427 207 E N 3.552 123.642 120.200 -0.183 0.000 2.113 207 E HA 0.383 4.730 4.350 -0.005 0.000 0.273 207 E C -0.945 175.469 176.600 -0.309 0.000 0.924 207 E CA -0.659 55.639 56.400 -0.170 0.000 0.764 207 E CB 0.821 30.492 29.700 -0.049 0.000 1.104 207 E HN 0.668 nan 8.360 nan 0.000 0.406 208 H N 2.415 121.501 119.070 0.027 0.000 2.668 208 H HA 0.177 4.730 4.556 -0.005 0.000 0.303 208 H C 0.562 175.900 175.328 0.016 0.000 1.074 208 H CA 0.037 56.095 56.048 0.018 0.000 1.406 208 H CB 1.115 30.882 29.762 0.009 0.000 1.442 208 H HN 0.598 nan 8.280 nan 0.000 0.482 209 T N -1.534 113.084 114.554 0.107 0.000 2.598 209 T HA 0.144 4.491 4.350 -0.005 0.000 0.254 209 T C 1.286 176.022 174.700 0.060 0.000 0.889 209 T CA -0.453 61.688 62.100 0.069 0.000 1.091 209 T CB 1.106 69.997 68.868 0.038 0.000 1.437 209 T HN 0.335 nan 8.240 nan 0.000 0.542 210 S N -0.814 114.909 115.700 0.040 0.000 2.558 210 S HA 0.032 4.499 4.470 -0.005 0.000 0.217 210 S C 1.627 176.245 174.600 0.030 0.000 0.975 210 S CA 0.181 58.401 58.200 0.033 0.000 0.912 210 S CB -0.661 62.553 63.200 0.024 0.000 0.776 210 S HN 0.539 nan 8.310 nan 0.000 0.526 211 Q N 0.494 120.311 119.800 0.029 0.000 2.378 211 Q HA 0.214 4.551 4.340 -0.005 0.000 0.205 211 Q C 1.407 177.427 176.000 0.034 0.000 0.954 211 Q CA 0.890 56.709 55.803 0.025 0.000 0.901 211 Q CB 0.212 28.960 28.738 0.017 0.000 0.981 211 Q HN 0.668 nan 8.270 nan 0.000 0.483 212 G N -0.072 108.758 108.800 0.051 0.000 2.456 212 G HA2 -0.014 3.943 3.960 -0.005 0.000 0.204 212 G HA3 -0.014 3.943 3.960 -0.005 0.000 0.204 212 G C -1.091 173.863 174.900 0.090 0.000 1.193 212 G CA -0.328 44.818 45.100 0.076 0.000 1.220 212 G HN 0.470 nan 8.290 nan 0.000 0.565 213 A N -0.016 122.844 122.820 0.068 0.000 2.294 213 A HA 0.867 5.184 4.320 -0.005 0.000 0.330 213 A C 0.030 177.597 177.584 -0.027 0.000 1.133 213 A CA 0.396 52.420 52.037 -0.022 0.000 0.836 213 A CB 1.510 20.492 19.000 -0.031 0.000 1.190 213 A HN 1.040 nan 8.150 nan 0.000 0.492 214 K N 0.717 121.083 120.400 -0.056 0.000 2.588 214 K HA 0.243 4.560 4.320 -0.005 0.000 0.250 214 K C -2.253 174.390 176.600 0.071 0.000 0.972 214 K CA -0.391 55.898 56.287 0.005 0.000 0.821 214 K CB 1.349 33.844 32.500 -0.007 0.000 1.249 214 K HN 0.711 nan 8.250 nan 0.000 0.442 215 W N 6.205 127.441 121.300 -0.107 0.000 2.316 215 W HA 0.420 5.077 4.660 -0.005 0.000 0.308 215 W C -0.825 175.662 176.519 -0.053 0.000 1.106 215 W CA -0.576 56.719 57.345 -0.083 0.000 1.262 215 W CB 0.417 29.825 29.460 -0.087 0.000 1.233 215 W HN 0.277 nan 8.180 nan 0.000 0.447 216 V N 2.638 122.594 119.914 0.070 0.000 3.158 216 V HA 0.558 4.675 4.120 -0.005 0.000 0.311 216 V C -0.068 176.020 176.094 -0.009 0.000 1.181 216 V CA -1.044 61.243 62.300 -0.023 0.000 1.054 216 V CB 1.863 33.698 31.823 0.020 0.000 1.085 216 V HN 0.486 nan 8.190 nan 0.000 0.446 217 D N 1.055 121.451 120.400 -0.008 0.000 2.692 217 D HA -0.147 4.490 4.640 -0.005 0.000 0.233 217 D C 0.584 176.893 176.300 0.014 0.000 1.172 217 D CA 1.517 55.526 54.000 0.014 0.000 0.636 217 D CB -1.203 39.626 40.800 0.048 0.000 1.028 217 D HN 1.192 nan 8.370 nan 0.000 0.419 218 T N -2.338 112.183 114.554 -0.055 0.000 2.899 218 T HA 0.457 4.804 4.350 -0.005 0.000 0.284 218 T C 0.606 175.326 174.700 0.033 0.000 1.004 218 T CA -0.840 61.229 62.100 -0.051 0.000 1.043 218 T CB 2.051 70.751 68.868 -0.281 0.000 1.013 218 T HN 0.030 nan 8.240 nan 0.000 0.518 219 Q N 0.305 120.180 119.800 0.125 0.000 2.260 219 Q HA 0.603 4.940 4.340 -0.005 0.000 0.242 219 Q C -0.920 175.093 176.000 0.022 0.000 0.932 219 Q CA -0.911 54.967 55.803 0.124 0.000 0.891 219 Q CB 1.493 30.397 28.738 0.277 0.000 1.222 219 Q HN 0.493 nan 8.270 nan 0.000 0.453 220 V N 1.981 121.877 119.914 -0.031 0.000 2.531 220 V HA 0.411 4.528 4.120 -0.005 0.000 0.301 220 V C -0.573 175.537 176.094 0.025 0.000 1.034 220 V CA -0.731 61.464 62.300 -0.175 0.000 0.865 220 V CB 1.797 33.459 31.823 -0.269 0.000 0.995 220 V HN 0.496 nan 8.190 nan 0.000 0.424 221 V N 5.633 125.609 119.914 0.104 0.000 2.715 221 V HA 0.558 4.675 4.120 -0.005 0.000 0.310 221 V C -0.234 175.955 176.094 0.159 0.000 1.054 221 V CA -0.713 61.712 62.300 0.207 0.000 0.928 221 V CB 2.088 34.159 31.823 0.412 0.000 1.007 221 V HN 0.636 nan 8.190 nan 0.000 0.437 222 L N 2.891 124.220 121.223 0.178 0.000 2.334 222 L HA 0.793 5.130 4.340 -0.005 0.000 0.275 222 L C 0.300 177.320 176.870 0.250 0.000 1.036 222 L CA -0.604 54.317 54.840 0.134 0.000 0.807 222 L CB 1.754 43.883 42.059 0.116 0.000 1.231 222 L HN 0.776 nan 8.230 nan 0.000 0.438 223 A N 4.104 126.971 122.820 0.079 0.000 2.256 223 A HA 0.611 4.928 4.320 -0.005 0.000 0.317 223 A C -0.554 177.235 177.584 0.342 0.000 1.318 223 A CA -0.441 51.616 52.037 0.034 0.000 0.894 223 A CB 0.781 19.311 19.000 -0.784 0.000 1.165 223 A HN 0.705 nan 8.150 nan 0.000 0.525 224 M N 6.085 125.975 119.600 0.484 0.000 2.129 224 M HA 0.497 4.974 4.480 -0.005 0.000 0.348 224 M C -2.573 174.024 176.300 0.495 0.000 1.116 224 M CA -1.925 53.640 55.300 0.442 0.000 1.022 224 M CB 1.779 34.591 32.600 0.353 0.000 1.599 224 M HN 0.317 nan 8.290 nan 0.000 0.449 225 P HA 0.193 nan 4.420 nan 0.000 0.285 225 P C -1.825 175.396 177.300 -0.131 0.000 1.259 225 P CA 0.037 63.011 63.100 -0.210 0.000 0.794 225 P CB 0.266 31.577 31.700 -0.649 0.000 0.940 226 Y N 1.210 121.442 120.300 -0.113 0.000 2.575 226 Y HA 0.235 4.782 4.550 -0.005 0.000 0.326 226 Y C 0.413 176.295 175.900 -0.030 0.000 0.979 226 Y CA -0.470 57.623 58.100 -0.011 0.000 1.286 226 Y CB 0.503 38.997 38.460 0.057 0.000 1.093 226 Y HN 0.228 nan 8.280 nan 0.000 0.501 227 D N 1.933 122.406 120.400 0.121 0.000 2.389 227 D HA 0.232 4.869 4.640 -0.005 0.000 0.247 227 D C -0.172 176.362 176.300 0.389 0.000 1.128 227 D CA 0.445 54.570 54.000 0.208 0.000 0.884 227 D CB 1.152 42.091 40.800 0.233 0.000 1.194 227 D HN 0.352 nan 8.370 nan 0.000 0.441 228 T N 2.995 117.687 114.554 0.229 0.000 2.886 228 T HA 0.431 4.778 4.350 -0.005 0.000 0.292 228 T C -2.623 171.828 174.700 -0.414 0.000 1.012 228 T CA -1.420 60.673 62.100 -0.012 0.000 0.982 228 T CB 2.235 71.101 68.868 -0.004 0.000 1.018 228 T HN 0.165 nan 8.240 nan 0.000 0.451 229 P HA 0.274 nan 4.420 nan 0.000 0.276 229 P C -0.765 176.204 177.300 -0.552 0.000 1.243 229 P CA -0.350 61.975 63.100 -1.291 0.000 0.768 229 P CB 0.652 31.513 31.700 -1.398 0.000 0.856 230 V N 6.423 126.104 119.914 -0.389 0.000 2.270 230 V HA 0.206 4.323 4.120 -0.005 0.000 0.263 230 V C -1.872 174.113 176.094 -0.181 0.000 1.066 230 V CA -1.949 60.216 62.300 -0.226 0.000 0.857 230 V CB 0.692 32.432 31.823 -0.138 0.000 1.099 230 V HN 0.519 nan 8.190 nan 0.000 0.476 231 P HA 0.184 nan 4.420 nan 0.000 0.271 231 P C 0.505 177.770 177.300 -0.058 0.000 1.220 231 P CA 0.420 63.448 63.100 -0.120 0.000 0.768 231 P CB 1.140 32.764 31.700 -0.127 0.000 0.848 232 G N 2.550 111.337 108.800 -0.022 0.000 2.606 232 G HA2 0.112 4.069 3.960 -0.005 0.000 0.252 232 G HA3 0.112 4.069 3.960 -0.005 0.000 0.252 232 G C -1.150 173.787 174.900 0.061 0.000 1.206 232 G CA -0.376 44.739 45.100 0.024 0.000 0.861 232 G HN 0.463 nan 8.290 nan 0.000 0.561 233 Y N 1.893 122.169 120.300 -0.040 0.000 2.486 233 Y HA 0.224 4.771 4.550 -0.005 0.000 0.348 233 Y C 1.411 177.284 175.900 -0.045 0.000 1.000 233 Y CA -0.501 57.568 58.100 -0.051 0.000 1.253 233 Y CB 0.161 38.587 38.460 -0.057 0.000 1.140 233 Y HN 0.644 nan 8.280 nan 0.000 0.526 234 R N 3.038 123.217 120.500 -0.535 0.000 3.610 234 R HA -0.337 4.000 4.340 -0.005 0.000 0.274 234 R C -0.105 176.079 176.300 -0.193 0.000 1.123 234 R CA 1.333 57.152 56.100 -0.468 0.000 0.747 234 R CB -2.561 27.356 30.300 -0.637 0.000 1.149 234 R HN 0.963 nan 8.270 nan 0.000 0.471 235 N N -0.208 118.434 118.700 -0.095 0.000 2.184 235 N HA 0.015 4.752 4.740 -0.005 0.000 0.206 235 N C -0.137 175.352 175.510 -0.035 0.000 1.151 235 N CA -0.394 52.630 53.050 -0.044 0.000 0.878 235 N CB 0.345 38.831 38.487 -0.002 0.000 1.014 235 N HN 0.098 nan 8.380 nan 0.000 0.512 236 N N -0.013 118.660 118.700 -0.045 0.000 2.713 236 N HA -0.141 4.596 4.740 -0.005 0.000 0.251 236 N C -0.681 174.822 175.510 -0.012 0.000 1.117 236 N CA 0.594 53.627 53.050 -0.028 0.000 0.770 236 N CB -1.483 36.986 38.487 -0.030 0.000 1.137 236 N HN 0.163 nan 8.380 nan 0.000 0.566 237 V N 1.071 120.987 119.914 0.003 0.000 2.637 237 V HA 0.298 4.415 4.120 -0.005 0.000 0.296 237 V C 0.870 176.969 176.094 0.009 0.000 1.046 237 V CA -0.116 62.202 62.300 0.030 0.000 1.066 237 V CB 1.849 33.713 31.823 0.068 0.000 0.968 237 V HN 0.040 nan 8.190 nan 0.000 0.483 238 V N 4.544 124.472 119.914 0.024 0.000 2.559 238 V HA 0.377 4.494 4.120 -0.005 0.000 0.289 238 V C -0.335 175.804 176.094 0.075 0.000 1.036 238 V CA -0.998 61.289 62.300 -0.022 0.000 0.887 238 V CB 1.488 33.278 31.823 -0.055 0.000 1.022 238 V HN 0.845 nan 8.190 nan 0.000 0.442 239 N N 1.747 120.459 118.700 0.020 0.000 2.413 239 N HA 0.581 5.318 4.740 -0.005 0.000 0.266 239 N C -0.020 175.526 175.510 0.060 0.000 1.238 239 N CA -0.233 52.857 53.050 0.066 0.000 0.972 239 N CB 1.209 39.701 38.487 0.008 0.000 1.210 239 N HN 0.617 nan 8.380 nan 0.000 0.547 240 T N 0.748 115.367 114.554 0.107 0.000 2.807 240 T HA 0.348 4.696 4.350 -0.005 0.000 0.279 240 T C -0.028 174.663 174.700 -0.014 0.000 0.993 240 T CA -0.506 61.695 62.100 0.167 0.000 0.970 240 T CB 1.062 70.136 68.868 0.344 0.000 0.950 240 T HN 0.267 nan 8.240 nan 0.000 0.441 241 M N 3.690 123.223 119.600 -0.111 0.000 2.084 241 M HA 0.399 4.876 4.480 -0.005 0.000 0.351 241 M C -0.112 176.026 176.300 -0.270 0.000 1.240 241 M CA -0.582 54.555 55.300 -0.271 0.000 1.083 241 M CB 0.324 32.718 32.600 -0.343 0.000 1.593 241 M HN 0.447 nan 8.290 nan 0.000 0.463 242 R N 5.973 126.188 120.500 -0.474 0.000 2.265 242 R HA 0.588 4.925 4.340 -0.005 0.000 0.328 242 R C -1.915 174.062 176.300 -0.538 0.000 0.969 242 R CA -0.408 55.347 56.100 -0.576 0.000 0.832 242 R CB 0.749 30.497 30.300 -0.920 0.000 1.139 242 R HN 0.778 nan 8.270 nan 0.000 0.457 243 L N 5.311 126.320 121.223 -0.357 0.000 2.333 243 L HA 0.511 4.848 4.340 -0.005 0.000 0.280 243 L C -0.927 175.881 176.870 -0.103 0.000 1.004 243 L CA -0.867 53.880 54.840 -0.155 0.000 0.820 243 L CB 1.528 43.598 42.059 0.018 0.000 1.247 243 L HN 0.602 nan 8.230 nan 0.000 0.416 244 W N 1.793 123.213 121.300 0.200 0.000 2.449 244 W HA 0.582 5.239 4.660 -0.005 0.000 0.331 244 W C 0.433 177.168 176.519 0.359 0.000 1.119 244 W CA -0.459 57.025 57.345 0.232 0.000 1.240 244 W CB 1.704 31.186 29.460 0.037 0.000 1.251 244 W HN 0.374 nan 8.180 nan 0.000 0.576 245 S N 1.684 117.806 115.700 0.705 0.000 2.526 245 S HA 0.811 5.278 4.470 -0.005 0.000 0.293 245 S C -0.711 174.269 174.600 0.632 0.000 1.092 245 S CA -0.771 57.736 58.200 0.511 0.000 0.980 245 S CB 0.970 64.401 63.200 0.386 0.000 1.048 245 S HN 0.635 nan 8.310 nan 0.000 0.483 246 A N 4.346 127.413 122.820 0.412 0.000 2.328 246 A HA 0.727 5.044 4.320 -0.005 0.000 0.284 246 A C -0.406 177.302 177.584 0.208 0.000 1.160 246 A CA -0.465 51.744 52.037 0.287 0.000 0.818 246 A CB 0.334 19.231 19.000 -0.171 0.000 1.087 246 A HN 0.662 nan 8.150 nan 0.000 0.504 247 K N 1.371 121.906 120.400 0.224 0.000 2.397 247 K HA 0.591 4.908 4.320 -0.005 0.000 0.253 247 K C -0.242 176.433 176.600 0.125 0.000 0.932 247 K CA -0.450 55.934 56.287 0.160 0.000 0.795 247 K CB 1.928 34.533 32.500 0.174 0.000 1.159 247 K HN 0.825 nan 8.250 nan 0.000 0.424 248 A N 4.688 127.560 122.820 0.087 0.000 2.511 248 A HA 0.237 4.554 4.320 -0.005 0.000 0.242 248 A C -1.782 175.840 177.584 0.064 0.000 1.069 248 A CA -0.658 51.420 52.037 0.068 0.000 0.763 248 A CB -0.757 18.271 19.000 0.048 0.000 1.001 248 A HN 0.433 nan 8.150 nan 0.000 0.498 249 P HA -0.043 nan 4.420 nan 0.000 0.264 249 P C -0.323 177.000 177.300 0.038 0.000 1.179 249 P CA 0.004 63.127 63.100 0.038 0.000 0.763 249 P CB 0.168 31.881 31.700 0.023 0.000 0.806 262 Y N 1.761 122.064 120.300 0.005 0.000 2.069 262 Y HA -0.161 4.387 4.550 -0.005 0.000 0.278 262 Y C 2.678 178.582 175.900 0.007 0.000 1.175 262 Y CA 2.585 60.688 58.100 0.006 0.000 1.134 262 Y CB -0.142 38.321 38.460 0.005 0.000 0.965 262 Y HN 0.200 nan 8.280 nan 0.000 0.498 263 I N 0.175 120.616 120.570 -0.215 0.000 2.252 263 I HA -0.251 3.916 4.170 -0.005 0.000 0.245 263 I C 2.340 178.309 176.117 -0.247 0.000 1.102 263 I CA 1.649 62.747 61.300 -0.337 0.000 1.385 263 I CB -1.289 36.661 38.000 -0.084 0.000 1.064 263 I HN 0.333 nan 8.210 nan 0.000 0.414 264 Q N 1.440 121.160 119.800 -0.133 0.000 2.124 264 Q HA -0.098 4.239 4.340 -0.005 0.000 0.202 264 Q C 2.220 178.167 176.000 -0.088 0.000 0.977 264 Q CA 2.166 57.919 55.803 -0.085 0.000 0.850 264 Q CB -0.373 28.338 28.738 -0.044 0.000 0.901 264 Q HN 0.460 nan 8.270 nan 0.000 0.429 265 A N -0.850 121.907 122.820 -0.105 0.000 1.972 265 A HA -0.111 4.206 4.320 -0.005 0.000 0.219 265 A C 2.185 179.691 177.584 -0.131 0.000 1.169 265 A CA 1.597 53.577 52.037 -0.095 0.000 0.635 265 A CB -0.518 18.443 19.000 -0.065 0.000 0.810 265 A HN 0.266 nan 8.150 nan 0.000 0.446 266 V N -0.015 119.758 119.914 -0.234 0.000 2.346 266 V HA -0.167 3.950 4.120 -0.005 0.000 0.244 266 V C 2.493 178.523 176.094 -0.108 0.000 1.037 266 V CA 1.490 63.675 62.300 -0.191 0.000 1.029 266 V CB -0.724 30.912 31.823 -0.311 0.000 0.663 266 V HN 0.560 nan 8.190 nan 0.000 0.454 267 L N 0.031 121.188 121.223 -0.111 0.000 2.043 267 L HA -0.226 4.111 4.340 -0.005 0.000 0.212 267 L C 2.125 178.971 176.870 -0.040 0.000 1.075 267 L CA 1.634 56.436 54.840 -0.063 0.000 0.752 267 L CB -0.810 41.215 42.059 -0.057 0.000 0.891 267 L HN 0.342 nan 8.230 nan 0.000 0.432 268 D N -0.193 120.181 120.400 -0.043 0.000 2.392 268 D HA -0.094 4.543 4.640 -0.005 0.000 0.228 268 D C 2.156 178.447 176.300 -0.015 0.000 1.003 268 D CA 0.461 54.446 54.000 -0.025 0.000 0.917 268 D CB -0.058 40.726 40.800 -0.026 0.000 0.890 268 D HN 0.223 nan 8.370 nan 0.000 0.532 269 R N 0.479 120.969 120.500 -0.017 0.000 2.127 269 R HA -0.122 4.215 4.340 -0.005 0.000 0.238 269 R C 1.735 178.040 176.300 0.010 0.000 1.134 269 R CA 0.697 56.797 56.100 -0.000 0.000 0.975 269 R CB -0.113 30.186 30.300 -0.001 0.000 0.865 269 R HN 0.206 nan 8.270 nan 0.000 0.447 270 N N 1.175 119.879 118.700 0.007 0.000 2.103 270 N HA -0.269 4.468 4.740 -0.005 0.000 0.200 270 N C 1.839 177.353 175.510 0.008 0.000 1.016 270 N CA 1.770 54.827 53.050 0.012 0.000 0.890 270 N CB -0.674 37.819 38.487 0.011 0.000 1.075 270 N HN 0.237 nan 8.380 nan 0.000 0.506 271 L N 0.489 121.713 121.223 0.002 0.000 2.051 271 L HA -0.207 4.130 4.340 -0.005 0.000 0.214 271 L C 2.315 179.173 176.870 -0.020 0.000 1.076 271 L CA 1.647 56.484 54.840 -0.004 0.000 0.758 271 L CB -0.532 41.527 42.059 -0.000 0.000 0.890 271 L HN 0.214 nan 8.230 nan 0.000 0.433 272 A N -1.222 121.592 122.820 -0.011 0.000 2.123 272 A HA -0.056 4.261 4.320 -0.005 0.000 0.214 272 A C 2.054 179.609 177.584 -0.048 0.000 1.152 272 A CA 0.729 52.749 52.037 -0.027 0.000 0.728 272 A CB -0.085 18.928 19.000 0.021 0.000 0.814 272 A HN 0.440 nan 8.150 nan 0.000 0.464 273 E N -0.528 119.658 120.200 -0.023 0.000 2.413 273 E HA -0.010 4.337 4.350 -0.005 0.000 0.203 273 E C 0.673 177.265 176.600 -0.014 0.000 0.957 273 E CA -0.207 56.189 56.400 -0.008 0.000 0.950 273 E CB 0.019 29.737 29.700 0.030 0.000 0.957 273 E HN 0.397 nan 8.360 nan 0.000 0.497 274 N N 1.431 120.127 118.700 -0.008 0.000 2.586 274 N HA -0.143 4.594 4.740 -0.005 0.000 0.191 274 N C 1.574 177.067 175.510 -0.029 0.000 1.085 274 N CA 0.730 53.784 53.050 0.007 0.000 0.921 274 N CB -0.122 38.372 38.487 0.011 0.000 0.954 274 N HN 0.305 nan 8.380 nan 0.000 0.448 275 I N 0.323 120.815 120.570 -0.129 0.000 2.179 275 I HA -0.233 3.934 4.170 -0.005 0.000 0.242 275 I C 1.700 177.715 176.117 -0.170 0.000 1.088 275 I CA 1.182 62.341 61.300 -0.235 0.000 1.357 275 I CB -0.264 37.428 38.000 -0.513 0.000 1.051 275 I HN 0.131 nan 8.210 nan 0.000 0.409 276 S N 0.008 115.614 115.700 -0.157 0.000 2.671 276 S HA 0.062 4.529 4.470 -0.005 0.000 0.220 276 S C 1.671 176.372 174.600 0.169 0.000 0.951 276 S CA -0.224 57.976 58.200 -0.000 0.000 0.932 276 S CB -0.046 63.166 63.200 0.019 0.000 0.777 276 S HN 0.208 nan 8.310 nan 0.000 0.508 277 R N 1.435 122.040 120.500 0.176 0.000 2.091 277 R HA 0.161 4.498 4.340 -0.005 0.000 0.238 277 R C 0.393 176.935 176.300 0.404 0.000 1.136 277 R CA 1.254 57.508 56.100 0.257 0.000 0.959 277 R CB -0.420 30.012 30.300 0.221 0.000 0.856 277 R HN 0.416 nan 8.270 nan 0.000 0.437 278 V N 0.162 120.317 119.914 0.401 0.000 2.852 278 V HA 0.271 4.388 4.120 -0.005 0.000 0.300 278 V C -1.654 174.410 176.094 -0.050 0.000 1.205 278 V CA -1.317 61.127 62.300 0.239 0.000 0.940 278 V CB 1.601 33.512 31.823 0.147 0.000 1.047 278 V HN 0.129 nan 8.190 nan 0.000 0.429 279 L N 7.444 128.362 121.223 -0.508 0.000 2.462 279 L HA 0.413 4.750 4.340 -0.005 0.000 0.272 279 L C -0.646 176.090 176.870 -0.224 0.000 1.166 279 L CA 0.615 55.011 54.840 -0.740 0.000 0.880 279 L CB 0.247 41.737 42.059 -0.948 0.000 1.142 279 L HN 0.689 nan 8.230 nan 0.000 0.473 280 Y N 7.301 127.534 120.300 -0.112 0.000 2.650 280 Y HA 0.148 4.695 4.550 -0.005 0.000 0.331 280 Y C -1.245 174.652 175.900 -0.004 0.000 1.165 280 Y CA -0.850 57.242 58.100 -0.014 0.000 1.473 280 Y CB 0.520 38.993 38.460 0.022 0.000 1.224 280 Y HN 0.591 nan 8.280 nan 0.000 0.533 281 P HA 0.021 nan 4.420 nan 0.000 0.253 281 P C -0.850 176.590 177.300 0.233 0.000 1.459 281 P CA 0.121 63.345 63.100 0.206 0.000 0.908 281 P CB 0.184 32.092 31.700 0.348 0.000 1.470 282 N N 1.762 120.600 118.700 0.231 0.000 2.439 282 N HA 0.124 4.861 4.740 -0.005 0.000 0.243 282 N C -0.428 175.225 175.510 0.239 0.000 1.088 282 N CA 0.274 53.474 53.050 0.250 0.000 0.940 282 N CB 0.361 39.025 38.487 0.295 0.000 1.180 282 N HN 0.166 nan 8.380 nan 0.000 0.505 283 D N 0.871 121.419 120.400 0.246 0.000 2.175 283 D HA 0.271 4.908 4.640 -0.005 0.000 0.248 283 D C -0.191 176.286 176.300 0.296 0.000 1.047 283 D CA -0.313 53.827 54.000 0.234 0.000 0.883 283 D CB 0.498 41.429 40.800 0.218 0.000 1.180 283 D HN 0.362 nan 8.370 nan 0.000 0.438 284 N N 1.278 120.138 118.700 0.267 0.000 2.725 284 N HA -0.245 4.492 4.740 -0.005 0.000 0.249 284 N C -1.395 174.360 175.510 0.408 0.000 1.103 284 N CA 0.843 54.058 53.050 0.276 0.000 0.707 284 N CB -1.006 37.632 38.487 0.251 0.000 1.043 284 N HN 0.354 nan 8.380 nan 0.000 0.553 285 F N 0.004 120.035 119.950 0.136 0.000 2.775 285 F HA 0.286 4.810 4.527 -0.005 0.000 0.339 285 F C -1.683 174.169 175.800 0.086 0.000 1.159 285 F CA -1.091 56.967 58.000 0.096 0.000 1.145 285 F CB 0.621 39.642 39.000 0.036 0.000 1.408 285 F HN -0.057 nan 8.300 nan 0.000 0.597 286 F N 6.427 125.849 119.950 -0.880 0.000 2.371 286 F HA 0.451 4.974 4.527 -0.005 0.000 0.363 286 F C -0.256 175.031 175.800 -0.856 0.000 1.122 286 F CA -0.284 57.312 58.000 -0.674 0.000 1.129 286 F CB 0.657 39.325 39.000 -0.554 0.000 1.173 286 F HN 0.535 nan 8.300 nan 0.000 0.489 287 E N 4.330 123.948 120.200 -0.970 0.000 2.113 287 E HA 0.444 4.791 4.350 -0.005 0.000 0.273 287 E C -0.190 175.748 176.600 -1.102 0.000 0.924 287 E CA -0.679 55.290 56.400 -0.718 0.000 0.764 287 E CB 0.992 30.595 29.700 -0.161 0.000 1.104 287 E HN 0.886 nan 8.360 nan 0.000 0.406 288 G N 5.522 113.659 108.800 -1.105 0.000 3.964 288 G HA2 0.077 4.034 3.960 -0.005 0.000 0.289 288 G HA3 0.077 4.034 3.960 -0.005 0.000 0.289 288 G C -0.236 174.615 174.900 -0.081 0.000 1.176 288 G CA -0.542 43.962 45.100 -0.992 0.000 1.553 288 G HN 0.297 nan 8.290 nan 0.000 0.588 289 K N 0.914 121.292 120.400 -0.038 0.000 2.416 289 K HA 0.037 4.354 4.320 -0.005 0.000 0.283 289 K C 1.025 177.753 176.600 0.213 0.000 1.037 289 K CA -0.232 56.116 56.287 0.101 0.000 0.995 289 K CB 1.979 34.501 32.500 0.036 0.000 0.938 289 K HN 0.595 nan 8.250 nan 0.000 0.475 290 E N 2.289 122.587 120.200 0.164 0.000 2.171 290 E HA -0.231 4.116 4.350 -0.005 0.000 0.197 290 E C 1.558 178.175 176.600 0.029 0.000 0.997 290 E CA 0.741 57.184 56.400 0.071 0.000 0.810 290 E CB 0.134 29.880 29.700 0.077 0.000 0.738 290 E HN 0.471 nan 8.360 nan 0.000 0.467 291 L N 1.487 122.771 121.223 0.102 0.000 1.990 291 L HA -0.249 4.088 4.340 -0.005 0.000 0.213 291 L C 2.430 179.403 176.870 0.172 0.000 1.072 291 L CA 2.171 57.095 54.840 0.140 0.000 0.755 291 L CB -0.832 41.361 42.059 0.223 0.000 0.889 291 L HN 0.033 nan 8.230 nan 0.000 0.432 292 R N -0.391 120.185 120.500 0.128 0.000 2.115 292 R HA -0.244 4.093 4.340 -0.005 0.000 0.239 292 R C 2.233 178.577 176.300 0.073 0.000 1.133 292 R CA 2.411 58.503 56.100 -0.013 0.000 0.935 292 R CB -1.393 28.656 30.300 -0.418 0.000 0.853 292 R HN 0.462 nan 8.270 nan 0.000 0.433 293 L N 0.975 122.155 121.223 -0.072 0.000 2.081 293 L HA -0.196 4.141 4.340 -0.005 0.000 0.212 293 L C 1.805 178.613 176.870 -0.102 0.000 1.080 293 L CA 1.996 56.593 54.840 -0.405 0.000 0.754 293 L CB -0.463 41.059 42.059 -0.896 0.000 0.893 293 L HN 0.236 nan 8.230 nan 0.000 0.433 294 K N -1.064 119.309 120.400 -0.045 0.000 1.985 294 K HA -0.208 4.109 4.320 -0.005 0.000 0.210 294 K C 1.975 178.687 176.600 0.186 0.000 1.047 294 K CA 1.842 58.149 56.287 0.033 0.000 0.932 294 K CB -0.355 31.973 32.500 -0.286 0.000 0.716 294 K HN 0.465 nan 8.250 nan 0.000 0.439 295 Q N 0.953 120.820 119.800 0.111 0.000 2.045 295 Q HA -0.300 4.037 4.340 -0.005 0.000 0.215 295 Q C 2.120 178.283 176.000 0.271 0.000 1.026 295 Q CA 2.092 58.011 55.803 0.193 0.000 0.885 295 Q CB -0.410 28.480 28.738 0.253 0.000 0.984 295 Q HN 0.419 nan 8.270 nan 0.000 0.414 296 E N -0.490 119.841 120.200 0.218 0.000 2.118 296 E HA -0.216 4.131 4.350 -0.005 0.000 0.195 296 E C 1.846 178.563 176.600 0.194 0.000 0.992 296 E CA 1.104 57.626 56.400 0.204 0.000 0.804 296 E CB -0.207 29.591 29.700 0.163 0.000 0.741 296 E HN 0.347 nan 8.360 nan 0.000 0.458 297 Y N 0.490 120.841 120.300 0.086 0.000 2.163 297 Y HA -0.240 4.307 4.550 -0.005 0.000 0.288 297 Y C 2.014 177.965 175.900 0.085 0.000 1.136 297 Y CA 1.269 59.387 58.100 0.030 0.000 1.147 297 Y CB -0.540 37.921 38.460 0.002 0.000 0.987 297 Y HN 0.019 nan 8.280 nan 0.000 0.509 298 F N -0.194 119.705 119.950 -0.085 0.000 2.065 298 F HA -0.275 4.249 4.527 -0.005 0.000 0.298 298 F C 2.169 177.771 175.800 -0.330 0.000 1.112 298 F CA 2.200 60.093 58.000 -0.178 0.000 1.212 298 F CB -0.832 38.248 39.000 0.133 0.000 0.975 298 F HN -0.113 nan 8.300 nan 0.000 0.476 299 V N -0.246 119.694 119.914 0.045 0.000 2.233 299 V HA -0.332 3.785 4.120 -0.005 0.000 0.247 299 V C 2.402 178.393 176.094 -0.172 0.000 1.050 299 V CA 1.806 64.113 62.300 0.012 0.000 1.010 299 V CB -1.169 30.813 31.823 0.264 0.000 0.637 299 V HN 0.305 nan 8.190 nan 0.000 0.444 300 V N 0.095 119.916 119.914 -0.154 0.000 2.233 300 V HA -0.291 3.826 4.120 -0.005 0.000 0.247 300 V C 2.743 178.628 176.094 -0.349 0.000 1.050 300 V CA 2.253 64.440 62.300 -0.188 0.000 1.010 300 V CB -1.279 30.492 31.823 -0.086 0.000 0.637 300 V HN 0.570 nan 8.190 nan 0.000 0.444 301 A N 0.109 122.572 122.820 -0.594 0.000 1.852 301 A HA -0.308 4.009 4.320 -0.005 0.000 0.217 301 A C 2.463 179.721 177.584 -0.545 0.000 1.215 301 A CA 3.215 54.884 52.037 -0.614 0.000 0.641 301 A CB -1.359 17.010 19.000 -1.052 0.000 0.838 301 A HN 0.697 nan 8.150 nan 0.000 0.450 302 A N -1.521 120.814 122.820 -0.809 0.000 1.884 302 A HA -0.210 4.107 4.320 -0.005 0.000 0.219 302 A C 2.344 179.546 177.584 -0.636 0.000 1.197 302 A CA 2.898 54.288 52.037 -1.078 0.000 0.637 302 A CB -1.639 16.115 19.000 -2.077 0.000 0.827 302 A HN 0.528 nan 8.150 nan 0.000 0.450 303 T N -0.088 114.195 114.554 -0.452 0.000 2.684 303 T HA -0.128 4.219 4.350 -0.005 0.000 0.267 303 T C 1.755 176.210 174.700 -0.409 0.000 1.036 303 T CA 1.674 63.582 62.100 -0.319 0.000 1.148 303 T CB -0.359 68.293 68.868 -0.361 0.000 0.863 303 T HN 0.230 nan 8.240 nan 0.000 0.436 304 L N 0.903 121.938 121.223 -0.313 0.000 2.141 304 L HA -0.030 4.307 4.340 -0.005 0.000 0.209 304 L C 2.680 179.471 176.870 -0.133 0.000 1.094 304 L CA 1.523 56.233 54.840 -0.215 0.000 0.763 304 L CB -0.632 41.343 42.059 -0.141 0.000 0.908 304 L HN 0.279 nan 8.230 nan 0.000 0.437 305 Q N -0.922 118.794 119.800 -0.140 0.000 2.079 305 Q HA -0.229 4.108 4.340 -0.005 0.000 0.200 305 Q C 1.822 177.828 176.000 0.010 0.000 0.974 305 Q CA 1.480 57.249 55.803 -0.057 0.000 0.840 305 Q CB -0.139 28.544 28.738 -0.091 0.000 0.898 305 Q HN 0.408 nan 8.270 nan 0.000 0.430 306 D N 0.595 121.004 120.400 0.015 0.000 2.149 306 D HA -0.181 4.456 4.640 -0.005 0.000 0.194 306 D C 1.582 177.880 176.300 -0.004 0.000 1.001 306 D CA 1.163 55.211 54.000 0.080 0.000 0.849 306 D CB -0.040 40.871 40.800 0.185 0.000 0.939 306 D HN 0.202 nan 8.370 nan 0.000 0.449 307 I N -0.101 120.392 120.570 -0.128 0.000 2.339 307 I HA -0.159 4.008 4.170 -0.005 0.000 0.245 307 I C 2.154 178.351 176.117 0.132 0.000 1.096 307 I CA 0.205 61.387 61.300 -0.197 0.000 1.408 307 I CB 0.045 37.767 38.000 -0.463 0.000 1.092 307 I HN 0.045 nan 8.210 nan 0.000 0.423 308 I N 0.795 121.496 120.570 0.218 0.000 2.163 308 I HA -0.331 3.836 4.170 -0.005 0.000 0.243 308 I C 2.695 179.039 176.117 0.378 0.000 1.085 308 I CA 1.549 63.099 61.300 0.417 0.000 1.347 308 I CB -1.137 37.036 38.000 0.288 0.000 1.044 308 I HN 0.342 nan 8.210 nan 0.000 0.408 309 R N 1.216 121.856 120.500 0.234 0.000 2.094 309 R HA -0.203 4.134 4.340 -0.005 0.000 0.239 309 R C 2.496 178.930 176.300 0.224 0.000 1.137 309 R CA 1.575 57.802 56.100 0.212 0.000 0.943 309 R CB -0.207 30.202 30.300 0.182 0.000 0.850 309 R HN 0.289 nan 8.270 nan 0.000 0.433 310 R N -0.289 120.336 120.500 0.208 0.000 2.136 310 R HA -0.233 4.104 4.340 -0.005 0.000 0.242 310 R C 2.280 178.732 176.300 0.253 0.000 1.131 310 R CA 2.194 58.424 56.100 0.216 0.000 0.937 310 R CB -0.927 29.489 30.300 0.194 0.000 0.863 310 R HN 0.314 nan 8.270 nan 0.000 0.435 311 F N 2.041 122.086 119.950 0.159 0.000 2.154 311 F HA -0.219 4.304 4.527 -0.005 0.000 0.301 311 F C 1.763 177.670 175.800 0.178 0.000 1.087 311 F CA 1.681 59.779 58.000 0.163 0.000 1.274 311 F CB -0.053 39.079 39.000 0.221 0.000 1.009 311 F HN -0.096 nan 8.300 nan 0.000 0.485 312 K N -0.503 119.955 120.400 0.096 0.000 2.459 312 K HA 0.050 4.367 4.320 -0.005 0.000 0.193 312 K C 1.359 177.975 176.600 0.027 0.000 1.030 312 K CA 0.859 57.133 56.287 -0.022 0.000 1.026 312 K CB -0.025 32.539 32.500 0.107 0.000 0.809 312 K HN 0.182 nan 8.250 nan 0.000 0.504 313 S N -0.162 115.587 115.700 0.083 0.000 2.539 313 S HA 0.008 4.475 4.470 -0.005 0.000 0.221 313 S C 1.433 176.093 174.600 0.099 0.000 0.987 313 S CA -0.118 58.151 58.200 0.115 0.000 0.929 313 S CB 0.444 63.757 63.200 0.188 0.000 0.832 313 S HN 0.290 nan 8.310 nan 0.000 0.492 314 S N 2.462 118.155 115.700 -0.012 0.000 2.288 314 S HA 0.210 4.677 4.470 -0.005 0.000 0.191 314 S C 1.258 175.684 174.600 -0.290 0.000 1.028 314 S CA 0.187 58.306 58.200 -0.135 0.000 1.030 314 S CB -0.250 62.876 63.200 -0.123 0.000 0.932 314 S HN 0.307 nan 8.310 nan 0.000 0.463 315 K N -0.061 120.007 120.400 -0.554 0.000 3.336 315 K HA 0.351 4.668 4.320 -0.005 0.000 0.260 315 K C -0.423 175.868 176.600 -0.515 0.000 1.053 315 K CA -0.251 55.595 56.287 -0.735 0.000 1.662 315 K CB -0.384 31.389 32.500 -1.212 0.000 2.392 315 K HN 0.362 nan 8.250 nan 0.000 0.748 324 T N 1.203 115.702 114.554 -0.090 0.000 2.620 324 T HA -0.284 4.063 4.350 -0.005 0.000 0.267 324 T C 1.595 176.099 174.700 -0.326 0.000 1.044 324 T CA 2.033 64.044 62.100 -0.148 0.000 1.161 324 T CB -0.814 67.970 68.868 -0.140 0.000 0.862 324 T HN 0.496 nan 8.240 nan 0.000 0.438 325 N N 2.142 120.497 118.700 -0.575 0.000 1.997 325 N HA -0.133 4.604 4.740 -0.005 0.000 0.198 325 N C 1.610 177.012 175.510 -0.180 0.000 1.070 325 N CA 1.958 54.513 53.050 -0.825 0.000 0.864 325 N CB -1.343 36.595 38.487 -0.916 0.000 1.066 325 N HN 0.535 nan 8.380 nan 0.000 0.425 326 F N 1.082 121.093 119.950 0.101 0.000 2.456 326 F HA 0.049 4.573 4.527 -0.005 0.000 0.298 326 F C 1.925 177.781 175.800 0.093 0.000 1.104 326 F CA 0.491 58.563 58.000 0.120 0.000 1.435 326 F CB -0.379 38.599 39.000 -0.036 0.000 1.078 326 F HN -0.053 nan 8.300 nan 0.000 0.546 327 D N 0.518 121.037 120.400 0.198 0.000 2.200 327 D HA -0.249 4.388 4.640 -0.005 0.000 0.192 327 D C 2.112 178.510 176.300 0.164 0.000 1.008 327 D CA 1.744 55.832 54.000 0.148 0.000 0.872 327 D CB -0.269 40.594 40.800 0.104 0.000 0.923 327 D HN 0.273 nan 8.370 nan 0.000 0.447 328 A N -1.239 121.708 122.820 0.212 0.000 2.308 328 A HA 0.129 4.446 4.320 -0.005 0.000 0.217 328 A C 1.642 179.359 177.584 0.221 0.000 1.216 328 A CA -0.321 51.856 52.037 0.234 0.000 0.864 328 A CB -0.584 18.622 19.000 0.344 0.000 0.902 328 A HN 0.200 nan 8.150 nan 0.000 0.499 329 F N 2.255 122.185 119.950 -0.034 0.000 2.111 329 F HA -0.177 4.347 4.527 -0.005 0.000 0.300 329 F C -0.868 174.841 175.800 -0.152 0.000 1.088 329 F CA 2.644 60.414 58.000 -0.384 0.000 1.243 329 F CB -0.424 38.348 39.000 -0.379 0.000 0.996 329 F HN 0.224 nan 8.300 nan 0.000 0.483 330 P HA -0.043 nan 4.420 nan 0.000 0.231 330 P C 0.676 177.950 177.300 -0.043 0.000 1.168 330 P CA 1.137 64.216 63.100 -0.036 0.000 0.779 330 P CB -0.081 31.631 31.700 0.021 0.000 0.844 331 D N -0.367 120.031 120.400 -0.003 0.000 2.312 331 D HA -0.062 4.575 4.640 -0.005 0.000 0.211 331 D C 1.556 177.852 176.300 -0.007 0.000 0.964 331 D CA 0.941 54.949 54.000 0.012 0.000 0.877 331 D CB 0.044 40.880 40.800 0.060 0.000 0.924 331 D HN 0.151 nan 8.370 nan 0.000 0.515 332 K N -0.147 120.225 120.400 -0.047 0.000 2.425 332 K HA 0.212 4.529 4.320 -0.005 0.000 0.201 332 K C -0.113 176.403 176.600 -0.140 0.000 1.128 332 K CA 0.124 56.393 56.287 -0.029 0.000 1.000 332 K CB 2.229 34.838 32.500 0.181 0.000 0.961 332 K HN -0.054 nan 8.250 nan 0.000 0.555 333 V N 1.070 120.824 119.914 -0.266 0.000 2.686 333 V HA 0.623 4.740 4.120 -0.005 0.000 0.306 333 V C -1.127 174.897 176.094 -0.116 0.000 1.065 333 V CA -1.226 60.927 62.300 -0.245 0.000 0.894 333 V CB 1.800 33.233 31.823 -0.650 0.000 1.004 333 V HN 0.122 nan 8.190 nan 0.000 0.424 334 A N 5.652 128.435 122.820 -0.062 0.000 2.356 334 A HA 0.934 5.251 4.320 -0.005 0.000 0.310 334 A C -0.996 176.615 177.584 0.044 0.000 1.075 334 A CA -0.467 51.572 52.037 0.004 0.000 0.746 334 A CB 1.088 20.055 19.000 -0.055 0.000 1.221 334 A HN 0.773 nan 8.150 nan 0.000 0.443 335 I N 2.077 122.729 120.570 0.136 0.000 2.420 335 I HA 0.241 4.408 4.170 -0.005 0.000 0.282 335 I C -0.350 175.871 176.117 0.173 0.000 1.019 335 I CA -0.477 60.916 61.300 0.154 0.000 1.130 335 I CB 1.827 39.900 38.000 0.122 0.000 1.262 335 I HN 0.709 nan 8.210 nan 0.000 0.454 336 Q N 6.880 126.788 119.800 0.180 0.000 2.322 336 Q HA 0.399 4.736 4.340 -0.005 0.000 0.256 336 Q C -0.948 175.095 176.000 0.071 0.000 0.960 336 Q CA -0.205 55.759 55.803 0.268 0.000 0.934 336 Q CB 0.984 30.051 28.738 0.547 0.000 1.200 336 Q HN 0.587 nan 8.270 nan 0.000 0.435 337 L N 4.087 125.395 121.223 0.141 0.000 2.454 337 L HA 0.204 4.541 4.340 -0.005 0.000 0.284 337 L C 0.358 177.331 176.870 0.171 0.000 1.139 337 L CA -0.419 54.499 54.840 0.130 0.000 0.911 337 L CB -0.181 41.982 42.059 0.173 0.000 1.262 337 L HN 0.586 nan 8.230 nan 0.000 0.453 338 N N 4.712 123.440 118.700 0.045 0.000 2.744 338 N HA 0.004 4.741 4.740 -0.005 0.000 0.290 338 N C -0.064 175.549 175.510 0.172 0.000 1.206 338 N CA 0.563 53.706 53.050 0.155 0.000 1.119 338 N CB -0.318 38.146 38.487 -0.039 0.000 1.449 338 N HN 0.651 nan 8.380 nan 0.000 0.514 339 D N -1.096 119.490 120.400 0.310 0.000 4.475 339 D HA -0.206 4.431 4.640 -0.005 0.000 0.289 339 D C 0.341 176.740 176.300 0.165 0.000 2.170 339 D CA 1.288 55.408 54.000 0.200 0.000 1.245 339 D CB -0.684 39.954 40.800 -0.270 0.000 0.984 339 D HN 0.422 nan 8.370 nan 0.000 1.179 340 T N -2.408 112.152 114.554 0.009 0.000 3.081 340 T HA 0.109 4.456 4.350 -0.005 0.000 0.250 340 T C 1.650 176.444 174.700 0.157 0.000 1.100 340 T CA 1.440 63.535 62.100 -0.007 0.000 1.038 340 T CB -0.481 68.355 68.868 -0.053 0.000 0.962 340 T HN 0.498 nan 8.240 nan 0.000 0.516 341 H N 2.797 121.960 119.070 0.156 0.000 2.357 341 H HA -0.034 4.519 4.556 -0.005 0.000 0.296 341 H C -0.861 174.560 175.328 0.156 0.000 1.108 341 H CA 1.159 57.312 56.048 0.175 0.000 1.273 341 H CB -0.964 28.896 29.762 0.163 0.000 1.367 341 H HN 0.432 nan 8.280 nan 0.000 0.498 342 P HA 0.103 nan 4.420 nan 0.000 0.257 342 P C 0.492 177.847 177.300 0.092 0.000 1.737 342 P CA 0.291 63.478 63.100 0.146 0.000 1.130 342 P CB 0.447 32.221 31.700 0.123 0.000 1.572 343 S N -0.416 115.330 115.700 0.078 0.000 2.447 343 S HA -0.095 4.372 4.470 -0.005 0.000 0.233 343 S C 1.842 176.454 174.600 0.020 0.000 1.006 343 S CA 0.592 58.796 58.200 0.007 0.000 0.957 343 S CB -1.381 61.791 63.200 -0.045 0.000 0.773 343 S HN 0.121 nan 8.310 nan 0.000 0.507 344 L N 1.385 122.634 121.223 0.043 0.000 2.261 344 L HA -0.112 4.225 4.340 -0.005 0.000 0.216 344 L C 3.025 179.952 176.870 0.095 0.000 1.114 344 L CA 0.770 55.642 54.840 0.053 0.000 0.777 344 L CB -0.970 41.121 42.059 0.054 0.000 0.910 344 L HN 0.459 nan 8.230 nan 0.000 0.440 345 A N 0.750 123.608 122.820 0.062 0.000 1.969 345 A HA -0.302 4.015 4.320 -0.005 0.000 0.223 345 A C 2.161 179.765 177.584 0.032 0.000 1.218 345 A CA 2.352 54.409 52.037 0.033 0.000 0.667 345 A CB -0.772 18.240 19.000 0.020 0.000 0.826 345 A HN 0.444 nan 8.150 nan 0.000 0.472 346 I N 0.018 120.612 120.570 0.040 0.000 2.133 346 I HA -0.133 4.034 4.170 -0.005 0.000 0.238 346 I C -0.323 175.842 176.117 0.081 0.000 1.074 346 I CA 1.572 62.906 61.300 0.058 0.000 1.342 346 I CB -0.994 37.054 38.000 0.080 0.000 1.053 346 I HN 0.275 nan 8.210 nan 0.000 0.404 347 P HA -0.143 nan 4.420 nan 0.000 0.225 347 P C 1.233 178.536 177.300 0.004 0.000 1.156 347 P CA 1.372 64.496 63.100 0.039 0.000 0.787 347 P CB 0.119 31.849 31.700 0.050 0.000 0.802 348 E N 0.628 120.900 120.200 0.120 0.000 2.028 348 E HA -0.157 4.190 4.350 -0.005 0.000 0.191 348 E C 1.943 178.529 176.600 -0.023 0.000 0.988 348 E CA 0.786 57.268 56.400 0.137 0.000 0.799 348 E CB -1.304 28.543 29.700 0.246 0.000 0.755 348 E HN -0.028 nan 8.360 nan 0.000 0.447 349 L N 0.055 121.245 121.223 -0.056 0.000 2.127 349 L HA -0.127 4.210 4.340 -0.005 0.000 0.211 349 L C 2.076 178.807 176.870 -0.232 0.000 1.089 349 L CA 1.663 56.409 54.840 -0.157 0.000 0.757 349 L CB -0.426 41.556 42.059 -0.128 0.000 0.899 349 L HN 0.287 nan 8.230 nan 0.000 0.434 350 M N -1.340 118.143 119.600 -0.194 0.000 2.156 350 M HA -0.146 4.331 4.480 -0.005 0.000 0.264 350 M C 2.346 178.475 176.300 -0.286 0.000 1.067 350 M CA 1.248 56.371 55.300 -0.296 0.000 1.131 350 M CB -0.968 31.436 32.600 -0.326 0.000 1.368 350 M HN 0.290 nan 8.290 nan 0.000 0.416 351 R N 0.051 120.416 120.500 -0.226 0.000 2.103 351 R HA -0.165 4.172 4.340 -0.005 0.000 0.234 351 R C 2.124 178.327 176.300 -0.161 0.000 1.132 351 R CA 2.108 58.085 56.100 -0.205 0.000 0.925 351 R CB -0.465 29.674 30.300 -0.267 0.000 0.842 351 R HN 0.161 nan 8.270 nan 0.000 0.430 352 V N 1.631 121.454 119.914 -0.153 0.000 2.219 352 V HA -0.331 3.786 4.120 -0.005 0.000 0.248 352 V C 2.518 178.454 176.094 -0.263 0.000 1.053 352 V CA 2.247 64.440 62.300 -0.177 0.000 1.009 352 V CB -0.612 31.099 31.823 -0.187 0.000 0.636 352 V HN 0.381 nan 8.190 nan 0.000 0.445 353 L N -0.665 120.331 121.223 -0.379 0.000 1.990 353 L HA -0.218 4.119 4.340 -0.005 0.000 0.213 353 L C 2.397 179.073 176.870 -0.324 0.000 1.072 353 L CA 1.563 56.109 54.840 -0.490 0.000 0.755 353 L CB -0.781 40.937 42.059 -0.567 0.000 0.889 353 L HN 0.219 nan 8.230 nan 0.000 0.432 354 V N -0.114 119.647 119.914 -0.255 0.000 2.221 354 V HA -0.270 3.847 4.120 -0.005 0.000 0.240 354 V C 2.179 178.216 176.094 -0.095 0.000 1.041 354 V CA 2.092 64.304 62.300 -0.147 0.000 0.991 354 V CB -0.503 31.251 31.823 -0.115 0.000 0.634 354 V HN 0.415 nan 8.190 nan 0.000 0.450 355 D N 0.069 120.415 120.400 -0.090 0.000 2.084 355 D HA -0.123 4.514 4.640 -0.005 0.000 0.194 355 D C 2.125 178.391 176.300 -0.057 0.000 0.990 355 D CA 1.470 55.438 54.000 -0.053 0.000 0.826 355 D CB -0.348 40.426 40.800 -0.044 0.000 0.971 355 D HN 0.317 nan 8.370 nan 0.000 0.453 356 L N 0.728 121.903 121.223 -0.081 0.000 2.022 356 L HA -0.051 4.286 4.340 -0.005 0.000 0.204 356 L C 2.230 179.058 176.870 -0.070 0.000 1.076 356 L CA 0.876 55.676 54.840 -0.067 0.000 0.749 356 L CB -0.447 41.571 42.059 -0.070 0.000 0.903 356 L HN -0.090 nan 8.230 nan 0.000 0.439 357 E N 0.319 120.438 120.200 -0.135 0.000 2.347 357 E HA -0.101 4.246 4.350 -0.005 0.000 0.196 357 E C 0.391 176.936 176.600 -0.092 0.000 1.008 357 E CA 0.121 56.440 56.400 -0.135 0.000 0.852 357 E CB 0.039 29.529 29.700 -0.349 0.000 0.783 357 E HN 0.276 nan 8.360 nan 0.000 0.505 358 R N -0.671 119.776 120.500 -0.088 0.000 3.963 358 R HA -0.167 4.170 4.340 -0.005 0.000 0.394 358 R C 0.082 176.360 176.300 -0.037 0.000 1.131 358 R CA 0.360 56.434 56.100 -0.042 0.000 1.059 358 R CB -2.831 27.463 30.300 -0.010 0.000 1.614 358 R HN 0.247 nan 8.270 nan 0.000 0.546 359 L N 2.478 123.652 121.223 -0.081 0.000 2.490 359 L HA -0.004 4.333 4.340 -0.005 0.000 0.274 359 L C 1.134 177.993 176.870 -0.019 0.000 1.201 359 L CA 0.331 55.134 54.840 -0.060 0.000 0.869 359 L CB 0.051 42.029 42.059 -0.135 0.000 1.123 359 L HN 0.152 nan 8.230 nan 0.000 0.484 360 D N 1.738 122.153 120.400 0.025 0.000 2.455 360 D HA -0.149 4.488 4.640 -0.005 0.000 0.241 360 D C 0.968 177.343 176.300 0.124 0.000 1.138 360 D CA -0.463 53.585 54.000 0.080 0.000 0.877 360 D CB 0.715 41.564 40.800 0.081 0.000 1.187 360 D HN 0.587 nan 8.370 nan 0.000 0.451 361 W N 3.390 124.692 121.300 0.004 0.000 2.290 361 W HA -0.291 4.366 4.660 -0.005 0.000 0.318 361 W C 0.749 177.317 176.519 0.082 0.000 1.248 361 W CA 1.995 59.350 57.345 0.018 0.000 1.263 361 W CB -0.453 28.997 29.460 -0.015 0.000 1.147 361 W HN 0.543 nan 8.180 nan 0.000 0.494 362 D N 0.336 120.972 120.400 0.392 0.000 2.104 362 D HA -0.209 4.428 4.640 -0.005 0.000 0.194 362 D C 1.934 178.345 176.300 0.186 0.000 0.994 362 D CA 2.282 56.475 54.000 0.322 0.000 0.830 362 D CB -0.443 40.513 40.800 0.260 0.000 0.959 362 D HN 0.097 nan 8.370 nan 0.000 0.452 363 K N 1.238 121.703 120.400 0.108 0.000 2.026 363 K HA -0.029 4.288 4.320 -0.005 0.000 0.208 363 K C 1.843 178.440 176.600 -0.006 0.000 1.048 363 K CA 1.663 57.984 56.287 0.056 0.000 0.929 363 K CB -0.656 31.871 32.500 0.045 0.000 0.713 363 K HN -0.003 nan 8.250 nan 0.000 0.439 364 A N 0.362 123.136 122.820 -0.076 0.000 1.986 364 A HA -0.193 4.124 4.320 -0.005 0.000 0.220 364 A C 2.218 179.719 177.584 -0.138 0.000 1.171 364 A CA 1.537 53.461 52.037 -0.188 0.000 0.640 364 A CB -1.081 17.742 19.000 -0.295 0.000 0.811 364 A HN 0.711 nan 8.150 nan 0.000 0.451 365 W N 0.387 121.514 121.300 -0.288 0.000 2.453 365 W HA -0.082 4.575 4.660 -0.005 0.000 0.289 365 W C 1.984 178.472 176.519 -0.052 0.000 1.215 365 W CA 1.363 58.592 57.345 -0.193 0.000 1.297 365 W CB -0.121 29.261 29.460 -0.131 0.000 1.113 365 W HN 0.641 nan 8.180 nan 0.000 0.551 366 E N 0.445 120.646 120.200 0.000 0.000 2.033 366 E HA -0.270 4.077 4.350 -0.005 0.000 0.199 366 E C 2.003 178.541 176.600 -0.104 0.000 1.011 366 E CA 2.695 59.063 56.400 -0.052 0.000 0.815 366 E CB -0.547 29.172 29.700 0.032 0.000 0.755 366 E HN -0.016 nan 8.360 nan 0.000 0.451 367 V N 0.958 120.835 119.914 -0.062 0.000 2.233 367 V HA -0.387 3.730 4.120 -0.005 0.000 0.252 367 V C 2.503 178.549 176.094 -0.081 0.000 1.063 367 V CA 2.553 64.833 62.300 -0.033 0.000 1.032 367 V CB -1.212 30.578 31.823 -0.055 0.000 0.645 367 V HN 0.460 nan 8.190 nan 0.000 0.446 368 T N -0.028 114.396 114.554 -0.216 0.000 2.622 368 T HA -0.189 4.158 4.350 -0.005 0.000 0.266 368 T C 1.907 176.419 174.700 -0.313 0.000 1.047 368 T CA 1.893 63.831 62.100 -0.270 0.000 1.159 368 T CB -0.417 68.219 68.868 -0.387 0.000 0.863 368 T HN 0.278 nan 8.240 nan 0.000 0.422 369 V N 1.592 121.169 119.914 -0.563 0.000 2.332 369 V HA -0.209 3.908 4.120 -0.005 0.000 0.248 369 V C 2.416 178.464 176.094 -0.076 0.000 1.055 369 V CA 1.671 63.721 62.300 -0.415 0.000 1.038 369 V CB -0.577 30.902 31.823 -0.572 0.000 0.651 369 V HN 0.482 nan 8.190 nan 0.000 0.450 370 K N -0.246 120.099 120.400 -0.092 0.000 2.209 370 K HA -0.134 4.183 4.320 -0.005 0.000 0.204 370 K C 2.155 178.773 176.600 0.030 0.000 1.048 370 K CA 1.779 58.027 56.287 -0.065 0.000 0.940 370 K CB -0.343 32.113 32.500 -0.074 0.000 0.729 370 K HN 0.529 nan 8.250 nan 0.000 0.451 371 T N 0.380 114.988 114.554 0.090 0.000 2.812 371 T HA -0.044 4.303 4.350 -0.005 0.000 0.264 371 T C 1.118 175.952 174.700 0.223 0.000 1.042 371 T CA 0.589 62.783 62.100 0.156 0.000 1.140 371 T CB -0.029 68.972 68.868 0.221 0.000 0.870 371 T HN 0.168 nan 8.240 nan 0.000 0.445 372 C N 1.957 121.363 119.300 0.177 0.000 2.365 372 C HA 0.880 5.337 4.460 -0.005 0.000 0.351 372 C C 0.506 175.548 174.990 0.087 0.000 1.240 372 C CA -1.171 57.921 59.018 0.124 0.000 2.062 372 C CB 0.273 28.028 27.740 0.026 0.000 2.387 372 C HN 0.627 nan 8.230 nan 0.000 0.537 373 A N 2.052 124.919 122.820 0.078 0.000 2.486 373 A HA 0.738 5.055 4.320 -0.005 0.000 0.300 373 A C -1.654 176.012 177.584 0.136 0.000 1.048 373 A CA -0.373 51.651 52.037 -0.022 0.000 0.696 373 A CB 1.082 19.971 19.000 -0.186 0.000 1.278 373 A HN 0.896 nan 8.150 nan 0.000 0.405 374 Y N 1.087 121.340 120.300 -0.079 0.000 2.393 374 Y HA 0.708 5.255 4.550 -0.005 0.000 0.341 374 Y C -0.440 175.439 175.900 -0.035 0.000 0.988 374 Y CA -0.583 57.485 58.100 -0.053 0.000 1.078 374 Y CB 1.991 40.373 38.460 -0.130 0.000 1.203 374 Y HN 0.577 nan 8.280 nan 0.000 0.453 375 T N 6.771 121.200 114.554 -0.207 0.000 2.797 375 T HA 0.274 4.621 4.350 -0.005 0.000 0.279 375 T C -0.883 173.352 174.700 -0.775 0.000 0.991 375 T CA -0.840 60.984 62.100 -0.459 0.000 0.979 375 T CB 0.593 69.444 68.868 -0.029 0.000 0.943 375 T HN 0.658 nan 8.240 nan 0.000 0.444 376 N N 1.137 119.388 118.700 -0.748 0.000 2.405 376 N HA 0.213 4.950 4.740 -0.005 0.000 0.299 376 N C -0.191 175.124 175.510 -0.325 0.000 1.075 376 N CA -0.424 52.393 53.050 -0.387 0.000 0.884 376 N CB 0.982 39.380 38.487 -0.149 0.000 1.194 376 N HN 0.686 nan 8.380 nan 0.000 0.491 377 H N 0.576 119.671 119.070 0.043 0.000 3.233 377 H HA 0.165 4.718 4.556 -0.005 0.000 0.263 377 H C -0.355 174.849 175.328 -0.206 0.000 1.168 377 H CA -0.026 55.970 56.048 -0.087 0.000 1.159 377 H CB 0.873 30.616 29.762 -0.031 0.000 1.593 377 H HN 0.649 nan 8.280 nan 0.000 0.580 378 T N -1.529 112.989 114.554 -0.060 0.000 3.097 378 T HA 0.287 4.634 4.350 -0.005 0.000 0.332 378 T C 0.793 175.511 174.700 0.029 0.000 1.269 378 T CA -0.516 61.550 62.100 -0.056 0.000 1.076 378 T CB 1.726 70.615 68.868 0.034 0.000 1.209 378 T HN -0.071 nan 8.240 nan 0.000 0.474 379 V N -0.357 119.531 119.914 -0.044 0.000 3.212 379 V HA 0.441 4.558 4.120 -0.005 0.000 0.244 379 V C 1.035 177.094 176.094 -0.058 0.000 1.151 379 V CA -0.169 62.113 62.300 -0.031 0.000 1.119 379 V CB -0.431 31.372 31.823 -0.033 0.000 0.838 379 V HN 0.830 nan 8.190 nan 0.000 0.470 380 I N 2.465 122.992 120.570 -0.072 0.000 2.845 380 I HA 0.081 4.248 4.170 -0.005 0.000 0.296 380 I C -1.265 174.858 176.117 0.010 0.000 1.216 380 I CA -1.351 59.936 61.300 -0.022 0.000 1.438 380 I CB 0.592 38.566 38.000 -0.044 0.000 1.342 380 I HN 0.169 nan 8.210 nan 0.000 0.577 381 P HA -0.067 nan 4.420 nan 0.000 0.227 381 P C 1.083 178.385 177.300 0.003 0.000 1.161 381 P CA 0.638 63.744 63.100 0.009 0.000 0.788 381 P CB 0.193 31.903 31.700 0.015 0.000 0.822 382 E N -0.184 120.045 120.200 0.050 0.000 2.478 382 E HA 0.061 4.409 4.350 -0.005 0.000 0.194 382 E C 1.500 178.093 176.600 -0.012 0.000 1.045 382 E CA 0.376 56.800 56.400 0.039 0.000 0.868 382 E CB -0.430 29.387 29.700 0.197 0.000 0.885 382 E HN 0.040 nan 8.360 nan 0.000 0.505 383 A N 1.720 124.570 122.820 0.049 0.000 2.015 383 A HA 0.066 4.383 4.320 -0.005 0.000 0.219 383 A C 1.503 179.071 177.584 -0.026 0.000 1.163 383 A CA 0.206 52.271 52.037 0.046 0.000 0.646 383 A CB -0.453 18.590 19.000 0.071 0.000 0.806 383 A HN 0.248 nan 8.150 nan 0.000 0.448 384 L N 1.012 122.185 121.223 -0.084 0.000 2.485 384 L HA 0.051 4.388 4.340 -0.005 0.000 0.275 384 L C 0.093 176.662 176.870 -0.502 0.000 1.207 384 L CA -0.093 54.635 54.840 -0.187 0.000 0.855 384 L CB 0.259 42.223 42.059 -0.159 0.000 1.114 384 L HN 0.346 nan 8.230 nan 0.000 0.485 385 E N 4.013 123.838 120.200 -0.624 0.000 2.070 385 E HA 0.183 4.530 4.350 -0.005 0.000 0.282 385 E C -0.614 175.321 176.600 -1.109 0.000 1.104 385 E CA -0.145 55.494 56.400 -1.269 0.000 0.876 385 E CB 0.532 29.820 29.700 -0.687 0.000 1.055 385 E HN 0.371 nan 8.360 nan 0.000 0.401 386 R N 3.749 123.310 120.500 -1.565 0.000 2.352 386 R HA 0.205 4.542 4.340 -0.005 0.000 0.304 386 R C -1.138 174.855 176.300 -0.511 0.000 1.104 386 R CA -0.572 55.077 56.100 -0.752 0.000 0.991 386 R CB 0.862 30.906 30.300 -0.426 0.000 1.140 386 R HN 0.423 nan 8.270 nan 0.000 0.540 387 W N 4.883 126.065 121.300 -0.196 0.000 2.322 387 W HA 0.261 4.918 4.660 -0.005 0.000 0.307 387 W C -1.918 174.568 176.519 -0.056 0.000 1.220 387 W CA -2.127 55.196 57.345 -0.038 0.000 1.210 387 W CB 0.849 30.268 29.460 -0.069 0.000 1.223 387 W HN 0.270 nan 8.180 nan 0.000 0.511 388 P HA -0.088 nan 4.420 nan 0.000 0.271 388 P C 0.878 178.152 177.300 -0.044 0.000 1.216 388 P CA 0.042 63.160 63.100 0.030 0.000 0.776 388 P CB 0.818 32.459 31.700 -0.100 0.000 0.881 389 V N 2.027 121.952 119.914 0.018 0.000 2.469 389 V HA -0.288 3.829 4.120 -0.005 0.000 0.251 389 V C 1.965 178.054 176.094 -0.008 0.000 1.064 389 V CA 2.051 64.363 62.300 0.021 0.000 1.066 389 V CB -1.825 30.072 31.823 0.124 0.000 0.667 389 V HN 0.696 nan 8.190 nan 0.000 0.461 390 H N -0.291 118.842 119.070 0.105 0.000 2.423 390 H HA -0.071 4.482 4.556 -0.005 0.000 0.297 390 H C 2.176 177.556 175.328 0.088 0.000 1.075 390 H CA 1.696 57.800 56.048 0.094 0.000 1.342 390 H CB -0.203 29.613 29.762 0.091 0.000 1.395 390 H HN 0.493 nan 8.280 nan 0.000 0.530 391 L N 1.398 122.359 121.223 -0.437 0.000 2.027 391 L HA -0.063 4.274 4.340 -0.005 0.000 0.206 391 L C 2.529 179.349 176.870 -0.083 0.000 1.074 391 L CA 1.240 55.977 54.840 -0.172 0.000 0.745 391 L CB -0.904 40.975 42.059 -0.300 0.000 0.898 391 L HN 0.249 nan 8.230 nan 0.000 0.433 392 L N -0.691 120.455 121.223 -0.129 0.000 2.141 392 L HA -0.182 4.155 4.340 -0.005 0.000 0.209 392 L C 2.550 179.359 176.870 -0.101 0.000 1.094 392 L CA 1.462 56.204 54.840 -0.164 0.000 0.763 392 L CB -0.374 41.581 42.059 -0.173 0.000 0.908 392 L HN 0.463 nan 8.230 nan 0.000 0.437 393 E N -0.516 119.673 120.200 -0.019 0.000 2.072 393 E HA -0.181 4.166 4.350 -0.005 0.000 0.191 393 E C 1.908 178.560 176.600 0.086 0.000 0.985 393 E CA 1.651 58.074 56.400 0.038 0.000 0.801 393 E CB 0.171 29.931 29.700 0.100 0.000 0.750 393 E HN 0.353 nan 8.360 nan 0.000 0.452 394 T N 1.229 115.863 114.554 0.133 0.000 2.701 394 T HA -0.126 4.221 4.350 -0.005 0.000 0.263 394 T C 1.782 176.639 174.700 0.261 0.000 1.040 394 T CA 1.071 63.301 62.100 0.218 0.000 1.147 394 T CB -0.219 68.814 68.868 0.276 0.000 0.865 394 T HN 0.098 nan 8.240 nan 0.000 0.426 395 L N -0.234 121.053 121.223 0.106 0.000 2.109 395 L HA 0.296 4.633 4.340 -0.005 0.000 0.207 395 L C 0.549 177.407 176.870 -0.021 0.000 1.086 395 L CA 1.616 56.416 54.840 -0.068 0.000 0.760 395 L CB 0.084 42.017 42.059 -0.211 0.000 0.910 395 L HN 0.200 nan 8.230 nan 0.000 0.437 396 L N 0.152 121.313 121.223 -0.103 0.000 2.481 396 L HA 0.226 4.563 4.340 -0.005 0.000 0.263 396 L C -1.772 174.936 176.870 -0.270 0.000 1.537 396 L CA -0.771 53.900 54.840 -0.282 0.000 0.741 396 L CB 1.026 42.766 42.059 -0.532 0.000 0.974 396 L HN -0.059 nan 8.230 nan 0.000 0.519 397 P HA -0.197 nan 4.420 nan 0.000 0.215 397 P C 1.441 178.560 177.300 -0.303 0.000 1.153 397 P CA 1.147 64.140 63.100 -0.178 0.000 0.853 397 P CB 0.391 32.059 31.700 -0.053 0.000 0.788 398 R N -0.149 119.979 120.500 -0.619 0.000 2.083 398 R HA -0.174 4.163 4.340 -0.005 0.000 0.237 398 R C 2.404 178.364 176.300 -0.568 0.000 1.137 398 R CA 1.813 57.539 56.100 -0.624 0.000 0.951 398 R CB -1.746 28.017 30.300 -0.896 0.000 0.851 398 R HN 0.266 nan 8.270 nan 0.000 0.434 399 H N -0.365 118.377 119.070 -0.546 0.000 2.289 399 H HA -0.170 4.383 4.556 -0.005 0.000 0.294 399 H C 1.753 176.899 175.328 -0.303 0.000 1.095 399 H CA 1.943 57.751 56.048 -0.400 0.000 1.256 399 H CB -0.491 28.986 29.762 -0.475 0.000 1.359 399 H HN 0.149 nan 8.280 nan 0.000 0.487 400 L N 0.948 122.049 121.223 -0.203 0.000 2.079 400 L HA -0.243 4.094 4.340 -0.005 0.000 0.210 400 L C 1.989 178.701 176.870 -0.264 0.000 1.081 400 L CA 1.656 56.321 54.840 -0.293 0.000 0.752 400 L CB -0.487 41.428 42.059 -0.241 0.000 0.896 400 L HN 0.331 nan 8.230 nan 0.000 0.433 401 Q N -0.662 119.071 119.800 -0.112 0.000 2.084 401 Q HA -0.204 4.133 4.340 -0.005 0.000 0.202 401 Q C 2.304 178.318 176.000 0.022 0.000 0.978 401 Q CA 2.056 57.874 55.803 0.025 0.000 0.844 401 Q CB -0.246 28.504 28.738 0.020 0.000 0.898 401 Q HN 0.588 nan 8.270 nan 0.000 0.426 402 I N 0.349 120.911 120.570 -0.014 0.000 2.286 402 I HA -0.241 3.926 4.170 -0.005 0.000 0.245 402 I C 2.233 178.404 176.117 0.091 0.000 1.104 402 I CA 0.815 62.191 61.300 0.127 0.000 1.397 402 I CB -0.180 37.842 38.000 0.036 0.000 1.072 402 I HN 0.174 nan 8.210 nan 0.000 0.417 403 I N 0.004 120.541 120.570 -0.054 0.000 2.151 403 I HA -0.352 3.815 4.170 -0.005 0.000 0.243 403 I C 2.407 178.481 176.117 -0.071 0.000 1.080 403 I CA 1.745 62.984 61.300 -0.101 0.000 1.339 403 I CB -0.362 37.517 38.000 -0.203 0.000 1.039 403 I HN 0.173 nan 8.210 nan 0.000 0.409 404 Y N 0.337 120.630 120.300 -0.012 0.000 2.352 404 Y HA -0.226 4.321 4.550 -0.005 0.000 0.292 404 Y C 2.495 178.345 175.900 -0.083 0.000 1.136 404 Y CA 1.251 59.332 58.100 -0.031 0.000 1.227 404 Y CB -0.492 37.945 38.460 -0.039 0.000 0.991 404 Y HN 0.211 nan 8.280 nan 0.000 0.545 405 E N 0.178 120.380 120.200 0.003 0.000 2.170 405 E HA -0.037 4.310 4.350 -0.005 0.000 0.191 405 E C 1.976 178.445 176.600 -0.219 0.000 0.981 405 E CA 0.585 56.839 56.400 -0.244 0.000 0.830 405 E CB -0.364 29.025 29.700 -0.519 0.000 0.775 405 E HN 0.406 nan 8.360 nan 0.000 0.470 406 I N 0.968 121.526 120.570 -0.020 0.000 2.044 406 I HA -0.399 3.768 4.170 -0.005 0.000 0.234 406 I C 2.292 178.403 176.117 -0.010 0.000 1.031 406 I CA 1.762 62.999 61.300 -0.104 0.000 1.305 406 I CB -0.750 37.164 38.000 -0.143 0.000 1.026 406 I HN 0.207 nan 8.210 nan 0.000 0.392 407 N N 0.498 119.244 118.700 0.075 0.000 2.069 407 N HA -0.314 4.423 4.740 -0.005 0.000 0.196 407 N C 1.768 177.366 175.510 0.145 0.000 1.024 407 N CA 2.042 55.199 53.050 0.177 0.000 0.869 407 N CB -0.250 38.351 38.487 0.189 0.000 1.035 407 N HN 0.303 nan 8.380 nan 0.000 0.434 408 Q N 0.289 120.116 119.800 0.046 0.000 2.119 408 Q HA 0.041 4.378 4.340 -0.005 0.000 0.201 408 Q C 1.914 177.904 176.000 -0.016 0.000 0.972 408 Q CA 1.512 57.314 55.803 -0.002 0.000 0.847 408 Q CB -0.042 28.653 28.738 -0.071 0.000 0.903 408 Q HN 0.392 nan 8.270 nan 0.000 0.433 409 R N -1.274 119.200 120.500 -0.042 0.000 2.119 409 R HA 0.003 4.340 4.340 -0.005 0.000 0.222 409 R C 2.030 178.365 176.300 0.058 0.000 1.088 409 R CA 0.877 56.951 56.100 -0.044 0.000 0.984 409 R CB -0.355 29.866 30.300 -0.131 0.000 0.884 409 R HN 0.266 nan 8.270 nan 0.000 0.447 410 F N 1.804 121.748 119.950 -0.009 0.000 2.046 410 F HA -0.208 4.316 4.527 -0.005 0.000 0.297 410 F C 1.836 177.670 175.800 0.056 0.000 1.123 410 F CA 1.556 59.598 58.000 0.070 0.000 1.199 410 F CB -0.322 38.752 39.000 0.124 0.000 0.972 410 F HN -0.106 nan 8.300 nan 0.000 0.474 411 L N 0.301 121.509 121.223 -0.024 0.000 2.127 411 L HA -0.270 4.067 4.340 -0.005 0.000 0.211 411 L C 1.905 178.717 176.870 -0.095 0.000 1.089 411 L CA 1.349 56.130 54.840 -0.098 0.000 0.757 411 L CB -0.903 41.176 42.059 0.033 0.000 0.899 411 L HN 0.243 nan 8.230 nan 0.000 0.434 412 N N 0.158 118.821 118.700 -0.061 0.000 2.381 412 N HA -0.119 4.618 4.740 -0.005 0.000 0.182 412 N C 1.814 177.276 175.510 -0.080 0.000 1.025 412 N CA 0.864 53.877 53.050 -0.063 0.000 0.888 412 N CB -0.152 38.305 38.487 -0.051 0.000 0.965 412 N HN 0.341 nan 8.380 nan 0.000 0.438 413 R N -0.035 120.396 120.500 -0.114 0.000 2.093 413 R HA 0.101 4.438 4.340 -0.005 0.000 0.224 413 R C 1.942 178.144 176.300 -0.162 0.000 1.101 413 R CA 0.435 56.463 56.100 -0.119 0.000 0.979 413 R CB -0.200 30.050 30.300 -0.084 0.000 0.877 413 R HN 0.007 nan 8.270 nan 0.000 0.441 414 V N 1.344 121.103 119.914 -0.259 0.000 2.261 414 V HA -0.286 3.831 4.120 -0.005 0.000 0.246 414 V C 2.478 178.578 176.094 0.009 0.000 1.047 414 V CA 2.070 64.292 62.300 -0.131 0.000 1.015 414 V CB -0.841 30.809 31.823 -0.288 0.000 0.642 414 V HN 0.404 nan 8.190 nan 0.000 0.446 415 A N 0.359 123.151 122.820 -0.046 0.000 1.859 415 A HA -0.280 4.037 4.320 -0.005 0.000 0.218 415 A C 2.405 179.968 177.584 -0.035 0.000 1.209 415 A CA 2.828 54.854 52.037 -0.018 0.000 0.639 415 A CB -1.196 17.783 19.000 -0.036 0.000 0.835 415 A HN 0.682 nan 8.150 nan 0.000 0.450 416 A N -1.122 121.659 122.820 -0.066 0.000 2.131 416 A HA 0.214 4.532 4.320 -0.005 0.000 0.220 416 A C 2.235 179.736 177.584 -0.137 0.000 1.158 416 A CA 2.060 54.049 52.037 -0.080 0.000 0.665 416 A CB -0.647 18.311 19.000 -0.071 0.000 0.795 416 A HN 1.170 nan 8.150 nan 0.000 0.460 417 A N -1.968 120.726 122.820 -0.210 0.000 2.063 417 A HA 0.477 4.794 4.320 -0.005 0.000 0.211 417 A C 0.440 177.600 177.584 -0.707 0.000 1.177 417 A CA 0.256 51.998 52.037 -0.492 0.000 0.759 417 A CB 0.092 18.697 19.000 -0.658 0.000 0.857 417 A HN 0.385 nan 8.150 nan 0.000 0.468 418 F N 0.575 120.476 119.950 -0.083 0.000 2.542 418 F HA 0.335 4.859 4.527 -0.005 0.000 0.323 418 F C -2.674 173.089 175.800 -0.062 0.000 1.411 418 F CA -2.963 54.993 58.000 -0.074 0.000 1.124 418 F CB 0.568 39.514 39.000 -0.089 0.000 1.331 418 F HN -0.049 nan 8.300 nan 0.000 0.560 419 P HA 0.110 nan 4.420 nan 0.000 0.261 419 P C 1.074 178.393 177.300 0.031 0.000 1.183 419 P CA 1.151 64.263 63.100 0.021 0.000 0.761 419 P CB 0.652 32.345 31.700 -0.012 0.000 0.785 420 G N 2.697 111.508 108.800 0.019 0.000 2.220 420 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.269 420 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.269 420 G C 0.368 175.276 174.900 0.014 0.000 0.977 420 G CA 0.132 45.240 45.100 0.013 0.000 0.634 420 G HN 0.606 nan 8.290 nan 0.000 0.539 421 D N 1.135 121.552 120.400 0.028 0.000 2.545 421 D HA 0.411 5.048 4.640 -0.005 0.000 0.227 421 D C 1.826 178.112 176.300 -0.022 0.000 1.150 421 D CA 0.201 54.198 54.000 -0.004 0.000 1.046 421 D CB 0.416 41.206 40.800 -0.017 0.000 1.098 421 D HN 0.106 nan 8.370 nan 0.000 0.502 422 V N 2.515 122.420 119.914 -0.016 0.000 2.392 422 V HA -0.254 3.863 4.120 -0.005 0.000 0.249 422 V C 2.031 178.110 176.094 -0.026 0.000 1.059 422 V CA 1.832 64.122 62.300 -0.017 0.000 1.051 422 V CB -0.339 31.478 31.823 -0.010 0.000 0.658 422 V HN 0.443 nan 8.190 nan 0.000 0.455 423 D N -0.269 120.111 120.400 -0.032 0.000 2.144 423 D HA -0.184 4.453 4.640 -0.005 0.000 0.200 423 D C 2.352 178.625 176.300 -0.046 0.000 0.978 423 D CA 1.087 55.070 54.000 -0.029 0.000 0.833 423 D CB -0.144 40.639 40.800 -0.029 0.000 0.961 423 D HN 0.285 nan 8.370 nan 0.000 0.470 424 R N -0.006 120.440 120.500 -0.090 0.000 2.081 424 R HA -0.117 4.220 4.340 -0.005 0.000 0.235 424 R C 2.273 178.499 176.300 -0.123 0.000 1.131 424 R CA 0.924 56.932 56.100 -0.152 0.000 0.960 424 R CB -0.374 29.768 30.300 -0.264 0.000 0.856 424 R HN 0.245 nan 8.270 nan 0.000 0.436 425 L N 0.580 121.753 121.223 -0.082 0.000 1.965 425 L HA -0.318 4.019 4.340 -0.005 0.000 0.226 425 L C 2.923 179.795 176.870 0.004 0.000 1.083 425 L CA 2.231 57.043 54.840 -0.046 0.000 0.790 425 L CB -0.777 41.267 42.059 -0.026 0.000 0.898 425 L HN 0.334 nan 8.230 nan 0.000 0.439 426 R N 0.028 120.538 120.500 0.017 0.000 2.140 426 R HA -0.235 4.102 4.340 -0.005 0.000 0.250 426 R C 2.442 178.796 176.300 0.090 0.000 1.150 426 R CA 2.002 58.133 56.100 0.052 0.000 0.966 426 R CB -0.158 30.164 30.300 0.037 0.000 0.869 426 R HN 0.353 nan 8.270 nan 0.000 0.445 427 R N -0.521 120.016 120.500 0.060 0.000 2.093 427 R HA 0.002 4.339 4.340 -0.005 0.000 0.224 427 R C 2.392 178.792 176.300 0.166 0.000 1.101 427 R CA 1.474 57.643 56.100 0.115 0.000 0.979 427 R CB -0.143 30.184 30.300 0.045 0.000 0.877 427 R HN 0.336 nan 8.270 nan 0.000 0.441 428 M N 0.398 119.998 119.600 -0.001 0.000 2.229 428 M HA -0.041 4.436 4.480 -0.005 0.000 0.264 428 M C 1.152 177.603 176.300 0.251 0.000 1.063 428 M CA 0.571 55.804 55.300 -0.111 0.000 1.114 428 M CB -0.115 32.278 32.600 -0.345 0.000 1.387 428 M HN -0.057 nan 8.290 nan 0.000 0.420 429 S N 0.825 116.690 115.700 0.276 0.000 2.558 429 S HA -0.023 4.444 4.470 -0.005 0.000 0.293 429 S C 1.096 175.995 174.600 0.499 0.000 1.292 429 S CA -0.471 57.938 58.200 0.347 0.000 1.063 429 S CB 0.552 63.891 63.200 0.233 0.000 0.831 429 S HN 0.167 nan 8.310 nan 0.000 0.499 430 L N 5.571 127.028 121.223 0.390 0.000 2.079 430 L HA -0.015 4.322 4.340 -0.005 0.000 0.210 430 L C 0.788 177.765 176.870 0.178 0.000 1.081 430 L CA 1.266 56.267 54.840 0.269 0.000 0.752 430 L CB -0.685 41.470 42.059 0.159 0.000 0.896 430 L HN 0.502 nan 8.230 nan 0.000 0.433 431 V N 0.758 120.792 119.914 0.200 0.000 2.385 431 V HA 0.129 4.246 4.120 -0.005 0.000 0.269 431 V C 0.262 176.444 176.094 0.147 0.000 1.043 431 V CA -0.795 61.610 62.300 0.175 0.000 0.906 431 V CB 0.628 32.595 31.823 0.240 0.000 0.995 431 V HN 0.202 nan 8.190 nan 0.000 0.467 432 E N 3.291 123.553 120.200 0.104 0.000 2.249 432 E HA 0.396 4.743 4.350 -0.005 0.000 0.280 432 E C -0.547 176.103 176.600 0.084 0.000 1.016 432 E CA -0.590 55.862 56.400 0.086 0.000 0.830 432 E CB 1.978 31.704 29.700 0.043 0.000 1.081 432 E HN 0.600 nan 8.360 nan 0.000 0.395 433 E N 0.761 121.008 120.200 0.077 0.000 2.312 433 E HA 0.609 4.956 4.350 -0.005 0.000 0.259 433 E C -0.056 176.579 176.600 0.059 0.000 1.122 433 E CA 0.119 56.559 56.400 0.068 0.000 0.922 433 E CB 1.401 31.136 29.700 0.059 0.000 1.109 433 E HN 0.636 nan 8.360 nan 0.000 0.442 434 G N -0.332 108.502 108.800 0.057 0.000 2.345 434 G HA2 0.335 4.292 3.960 -0.005 0.000 0.285 434 G HA3 0.335 4.292 3.960 -0.005 0.000 0.285 434 G C 0.071 175.004 174.900 0.054 0.000 1.297 434 G CA 0.080 45.211 45.100 0.052 0.000 0.875 434 G HN 0.564 nan 8.290 nan 0.000 0.506 435 A N -1.148 121.703 122.820 0.052 0.000 1.902 435 A HA 0.377 4.694 4.320 -0.005 0.000 0.217 435 A C 1.194 178.822 177.584 0.074 0.000 1.181 435 A CA 2.247 54.317 52.037 0.055 0.000 0.623 435 A CB -0.429 18.600 19.000 0.048 0.000 0.818 435 A HN 1.425 nan 8.150 nan 0.000 0.443 436 V N 1.650 121.615 119.914 0.085 0.000 2.328 436 V HA 0.168 4.285 4.120 -0.005 0.000 0.278 436 V C -0.048 176.107 176.094 0.102 0.000 1.021 436 V CA -0.802 61.566 62.300 0.114 0.000 0.838 436 V CB 1.017 32.917 31.823 0.130 0.000 0.999 436 V HN 0.354 nan 8.190 nan 0.000 0.447 437 K N 4.914 125.381 120.400 0.112 0.000 2.489 437 K HA 0.332 4.649 4.320 -0.005 0.000 0.278 437 K C -0.044 176.618 176.600 0.104 0.000 1.000 437 K CA 0.262 56.615 56.287 0.110 0.000 1.012 437 K CB 0.592 33.171 32.500 0.133 0.000 0.903 437 K HN 0.590 nan 8.250 nan 0.000 0.485 438 R N 1.852 122.402 120.500 0.084 0.000 2.836 438 R HA 0.470 4.807 4.340 -0.005 0.000 0.269 438 R C -0.766 175.562 176.300 0.045 0.000 1.010 438 R CA -1.036 55.100 56.100 0.059 0.000 0.930 438 R CB 1.305 31.617 30.300 0.020 0.000 1.218 438 R HN 0.371 nan 8.270 nan 0.000 0.473 439 I N 1.759 122.348 120.570 0.031 0.000 2.354 439 I HA 0.171 4.338 4.170 -0.005 0.000 0.292 439 I C -0.131 175.949 176.117 -0.062 0.000 0.989 439 I CA -0.677 60.625 61.300 0.003 0.000 1.188 439 I CB 1.186 39.182 38.000 -0.007 0.000 1.342 439 I HN 0.503 nan 8.210 nan 0.000 0.457 440 N N 7.026 125.663 118.700 -0.105 0.000 2.402 440 N HA 0.095 4.832 4.740 -0.005 0.000 0.252 440 N C 0.813 176.214 175.510 -0.182 0.000 1.118 440 N CA -0.329 52.579 53.050 -0.237 0.000 0.945 440 N CB 0.976 39.182 38.487 -0.467 0.000 1.147 440 N HN 0.408 nan 8.380 nan 0.000 0.495 441 M N 2.441 121.933 119.600 -0.179 0.000 2.175 441 M HA -0.057 4.420 4.480 -0.005 0.000 0.264 441 M C 2.026 178.175 176.300 -0.252 0.000 1.063 441 M CA 0.777 55.994 55.300 -0.138 0.000 1.119 441 M CB -1.604 30.970 32.600 -0.043 0.000 1.377 441 M HN 0.589 nan 8.290 nan 0.000 0.415 442 A N -0.376 122.274 122.820 -0.284 0.000 1.972 442 A HA -0.187 4.131 4.320 -0.005 0.000 0.219 442 A C 1.957 179.282 177.584 -0.432 0.000 1.169 442 A CA 1.580 53.377 52.037 -0.400 0.000 0.635 442 A CB -1.164 17.812 19.000 -0.040 0.000 0.810 442 A HN 0.625 nan 8.150 nan 0.000 0.446 443 H N -1.613 117.235 119.070 -0.369 0.000 2.357 443 H HA -0.082 4.471 4.556 -0.005 0.000 0.301 443 H C 2.104 177.223 175.328 -0.349 0.000 1.082 443 H CA 0.889 56.699 56.048 -0.397 0.000 1.342 443 H CB -0.082 29.661 29.762 -0.032 0.000 1.389 443 H HN 0.422 nan 8.280 nan 0.000 0.511 444 L N 1.116 122.268 121.223 -0.120 0.000 1.978 444 L HA -0.258 4.079 4.340 -0.005 0.000 0.218 444 L C 2.339 179.100 176.870 -0.181 0.000 1.075 444 L CA 1.689 56.458 54.840 -0.118 0.000 0.767 444 L CB -1.063 40.949 42.059 -0.078 0.000 0.890 444 L HN 0.345 nan 8.230 nan 0.000 0.434 445 C N -0.262 118.836 119.300 -0.337 0.000 2.385 445 C HA -0.223 4.234 4.460 -0.005 0.000 0.275 445 C C 2.707 177.483 174.990 -0.357 0.000 1.207 445 C CA 1.244 59.990 59.018 -0.454 0.000 1.760 445 C CB -1.207 25.933 27.740 -1.000 0.000 2.051 445 C HN 0.662 nan 8.230 nan 0.000 0.467 446 I N 1.597 121.905 120.570 -0.437 0.000 2.226 446 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 446 I C 2.765 178.789 176.117 -0.155 0.000 1.100 446 I CA 1.674 62.784 61.300 -0.316 0.000 1.374 446 I CB -0.657 37.038 38.000 -0.508 0.000 1.057 446 I HN 0.295 nan 8.210 nan 0.000 0.413 447 A N 0.741 123.409 122.820 -0.253 0.000 1.908 447 A HA -0.123 4.194 4.320 -0.005 0.000 0.218 447 A C 2.270 179.950 177.584 0.161 0.000 1.181 447 A CA 2.023 53.964 52.037 -0.161 0.000 0.627 447 A CB -1.228 17.529 19.000 -0.405 0.000 0.818 447 A HN 0.487 nan 8.150 nan 0.000 0.445 448 G N -1.496 107.342 108.800 0.064 0.000 3.189 448 G HA2 0.417 4.374 3.960 -0.005 0.000 0.225 448 G HA3 0.417 4.374 3.960 -0.005 0.000 0.225 448 G C 0.205 174.958 174.900 -0.245 0.000 1.159 448 G CA 0.542 45.583 45.100 -0.099 0.000 0.763 448 G HN 0.360 nan 8.290 nan 0.000 0.549 449 S N -0.590 115.032 115.700 -0.130 0.000 2.568 449 S HA 0.378 4.845 4.470 -0.005 0.000 0.302 449 S C 0.755 175.339 174.600 -0.025 0.000 1.082 449 S CA -0.712 57.435 58.200 -0.089 0.000 1.009 449 S CB 1.290 64.438 63.200 -0.087 0.000 1.069 449 S HN 0.504 nan 8.310 nan 0.000 0.500 450 H N -0.310 118.743 119.070 -0.027 0.000 2.582 450 H HA 0.541 5.094 4.556 -0.005 0.000 0.269 450 H C 0.183 175.523 175.328 0.021 0.000 0.962 450 H CA 0.153 56.212 56.048 0.019 0.000 1.230 450 H CB 0.234 30.014 29.762 0.030 0.000 1.445 450 H HN 0.475 nan 8.280 nan 0.000 0.528 451 A N 1.356 123.939 122.820 -0.394 0.000 2.422 451 A HA 0.556 4.873 4.320 -0.005 0.000 0.302 451 A C -1.308 176.094 177.584 -0.304 0.000 1.041 451 A CA -0.589 51.263 52.037 -0.308 0.000 0.708 451 A CB 2.396 21.179 19.000 -0.363 0.000 1.257 451 A HN 0.093 nan 8.150 nan 0.000 0.414 452 V N 4.346 124.026 119.914 -0.389 0.000 2.444 452 V HA 0.483 4.600 4.120 -0.005 0.000 0.294 452 V C -0.555 175.297 176.094 -0.403 0.000 1.022 452 V CA -0.762 61.275 62.300 -0.438 0.000 0.850 452 V CB 1.550 32.950 31.823 -0.705 0.000 0.992 452 V HN 1.006 nan 8.190 nan 0.000 0.426 453 N N 3.396 121.901 118.700 -0.325 0.000 2.265 453 N HA 0.700 5.437 4.740 -0.005 0.000 0.300 453 N C -0.383 174.995 175.510 -0.221 0.000 1.148 453 N CA -0.394 52.518 53.050 -0.229 0.000 0.772 453 N CB 3.055 41.410 38.487 -0.220 0.000 1.434 453 N HN 0.626 nan 8.380 nan 0.000 0.481 454 G N -1.044 107.675 108.800 -0.136 0.000 2.735 454 G HA2 0.493 4.450 3.960 -0.005 0.000 0.301 454 G HA3 0.493 4.450 3.960 -0.005 0.000 0.301 454 G C 0.364 175.323 174.900 0.098 0.000 1.279 454 G CA -0.599 44.491 45.100 -0.017 0.000 1.019 454 G HN 0.626 nan 8.290 nan 0.000 0.497 455 V N -3.871 116.203 119.914 0.268 0.000 3.253 455 V HA 0.719 4.836 4.120 -0.005 0.000 0.320 455 V C 0.409 176.582 176.094 0.131 0.000 1.442 455 V CA 0.247 62.637 62.300 0.150 0.000 1.097 455 V CB -0.516 31.360 31.823 0.088 0.000 1.008 455 V HN 1.576 nan 8.190 nan 0.000 0.463 456 A N -0.061 122.839 122.820 0.133 0.000 2.590 456 A HA 0.650 4.967 4.320 -0.005 0.000 0.296 456 A C 0.516 178.142 177.584 0.071 0.000 1.050 456 A CA -0.074 52.021 52.037 0.097 0.000 0.697 456 A CB 1.077 20.122 19.000 0.076 0.000 1.277 456 A HN 0.072 nan 8.150 nan 0.000 0.411 457 R N 1.060 121.585 120.500 0.043 0.000 2.134 457 R HA -0.207 4.130 4.340 -0.005 0.000 0.248 457 R C 1.796 178.092 176.300 -0.007 0.000 1.143 457 R CA 2.509 58.613 56.100 0.007 0.000 0.957 457 R CB -0.305 29.998 30.300 0.005 0.000 0.867 457 R HN 0.821 nan 8.270 nan 0.000 0.441 458 I N -0.178 120.395 120.570 0.005 0.000 2.179 458 I HA -0.326 3.841 4.170 -0.005 0.000 0.242 458 I C 2.281 178.400 176.117 0.003 0.000 1.088 458 I CA 2.098 63.394 61.300 -0.008 0.000 1.357 458 I CB -0.272 37.721 38.000 -0.011 0.000 1.051 458 I HN 0.387 nan 8.210 nan 0.000 0.409 459 H N 0.519 119.555 119.070 -0.057 0.000 2.321 459 H HA -0.138 4.415 4.556 -0.005 0.000 0.300 459 H C 2.273 177.564 175.328 -0.062 0.000 1.087 459 H CA 2.334 58.344 56.048 -0.064 0.000 1.319 459 H CB -0.324 29.404 29.762 -0.056 0.000 1.379 459 H HN 0.273 nan 8.280 nan 0.000 0.501 460 S N 0.484 116.092 115.700 -0.153 0.000 2.402 460 S HA -0.119 4.348 4.470 -0.005 0.000 0.229 460 S C 1.894 176.387 174.600 -0.180 0.000 1.021 460 S CA 1.069 59.142 58.200 -0.211 0.000 0.974 460 S CB -0.063 63.074 63.200 -0.106 0.000 0.800 460 S HN 0.478 nan 8.310 nan 0.000 0.484 461 E N 1.102 121.218 120.200 -0.140 0.000 2.051 461 E HA -0.094 4.253 4.350 -0.005 0.000 0.192 461 E C 2.030 178.523 176.600 -0.178 0.000 0.991 461 E CA 0.716 57.022 56.400 -0.157 0.000 0.799 461 E CB -0.462 29.173 29.700 -0.109 0.000 0.748 461 E HN 0.392 nan 8.360 nan 0.000 0.449 462 I N 1.240 121.720 120.570 -0.150 0.000 2.286 462 I HA -0.236 3.931 4.170 -0.005 0.000 0.248 462 I C 2.254 178.253 176.117 -0.197 0.000 1.115 462 I CA 0.864 62.075 61.300 -0.148 0.000 1.392 462 I CB -0.248 37.693 38.000 -0.098 0.000 1.065 462 I HN 0.029 nan 8.210 nan 0.000 0.418 463 L N -0.273 120.801 121.223 -0.248 0.000 2.042 463 L HA -0.276 4.061 4.340 -0.005 0.000 0.210 463 L C 2.432 179.191 176.870 -0.185 0.000 1.076 463 L CA 1.591 56.310 54.840 -0.201 0.000 0.749 463 L CB -0.801 41.215 42.059 -0.071 0.000 0.893 463 L HN 0.165 nan 8.230 nan 0.000 0.432 464 K N -0.334 119.879 120.400 -0.313 0.000 2.211 464 K HA -0.099 4.218 4.320 -0.005 0.000 0.203 464 K C 1.809 178.188 176.600 -0.369 0.000 1.050 464 K CA 0.757 56.682 56.287 -0.604 0.000 0.945 464 K CB 0.126 32.019 32.500 -1.013 0.000 0.732 464 K HN 0.089 nan 8.250 nan 0.000 0.451 465 K N -0.411 119.848 120.400 -0.235 0.000 2.361 465 K HA 0.121 4.438 4.320 -0.005 0.000 0.194 465 K C 1.122 177.666 176.600 -0.093 0.000 1.032 465 K CA 0.636 56.841 56.287 -0.137 0.000 1.048 465 K CB 0.972 33.402 32.500 -0.117 0.000 0.842 465 K HN 0.058 nan 8.250 nan 0.000 0.526 466 T N -0.171 114.315 114.554 -0.112 0.000 3.422 466 T HA 0.279 4.626 4.350 -0.005 0.000 0.179 466 T C 1.846 176.487 174.700 -0.097 0.000 0.946 466 T CA -0.298 61.747 62.100 -0.092 0.000 1.025 466 T CB -0.146 68.661 68.868 -0.101 0.000 1.298 466 T HN -0.135 nan 8.240 nan 0.000 0.312 467 I N 0.616 121.060 120.570 -0.210 0.000 2.252 467 I HA -0.000 4.167 4.170 -0.005 0.000 0.245 467 I C 0.575 176.483 176.117 -0.347 0.000 1.102 467 I CA 1.573 62.644 61.300 -0.382 0.000 1.385 467 I CB -0.061 37.533 38.000 -0.676 0.000 1.064 467 I HN 0.182 nan 8.210 nan 0.000 0.414 468 F N 0.735 120.742 119.950 0.096 0.000 2.879 468 F HA 0.265 4.789 4.527 -0.005 0.000 0.354 468 F C 1.595 177.448 175.800 0.089 0.000 1.291 468 F CA -0.935 57.186 58.000 0.202 0.000 1.238 468 F CB -0.455 38.703 39.000 0.264 0.000 1.005 468 F HN -0.130 nan 8.300 nan 0.000 0.508 469 K N 0.656 121.141 120.400 0.142 0.000 2.032 469 K HA -0.197 4.120 4.320 -0.005 0.000 0.209 469 K C 1.119 177.768 176.600 0.082 0.000 1.048 469 K CA 2.237 58.568 56.287 0.073 0.000 0.927 469 K CB 0.054 32.566 32.500 0.020 0.000 0.712 469 K HN 0.097 nan 8.250 nan 0.000 0.441 470 D N -0.246 120.188 120.400 0.056 0.000 2.219 470 D HA -0.101 4.536 4.640 -0.005 0.000 0.205 470 D C 1.687 177.897 176.300 -0.151 0.000 0.970 470 D CA 0.898 54.810 54.000 -0.147 0.000 0.851 470 D CB -0.159 40.484 40.800 -0.262 0.000 0.943 470 D HN 0.230 nan 8.370 nan 0.000 0.488 471 F N -0.085 119.919 119.950 0.090 0.000 2.113 471 F HA -0.146 4.378 4.527 -0.005 0.000 0.297 471 F C 2.313 178.193 175.800 0.134 0.000 1.103 471 F CA 0.609 58.742 58.000 0.223 0.000 1.248 471 F CB -0.834 38.402 39.000 0.393 0.000 0.999 471 F HN -0.044 nan 8.300 nan 0.000 0.475 472 Y N 1.328 121.465 120.300 -0.272 0.000 2.207 472 Y HA -0.233 4.314 4.550 -0.005 0.000 0.287 472 Y C 2.166 178.014 175.900 -0.088 0.000 1.156 472 Y CA 1.716 59.512 58.100 -0.507 0.000 1.182 472 Y CB -0.692 37.312 38.460 -0.760 0.000 0.979 472 Y HN 0.166 nan 8.280 nan 0.000 0.521 473 E N -0.321 119.759 120.200 -0.200 0.000 2.051 473 E HA -0.220 4.127 4.350 -0.005 0.000 0.192 473 E C 2.068 178.723 176.600 0.091 0.000 0.991 473 E CA 1.246 57.585 56.400 -0.101 0.000 0.799 473 E CB -0.415 29.273 29.700 -0.020 0.000 0.748 473 E HN 0.392 nan 8.360 nan 0.000 0.449 474 L N 1.143 122.474 121.223 0.180 0.000 1.956 474 L HA -0.197 4.140 4.340 -0.005 0.000 0.216 474 L C 0.452 177.395 176.870 0.122 0.000 1.073 474 L CA 1.949 56.916 54.840 0.212 0.000 0.762 474 L CB 0.061 42.239 42.059 0.198 0.000 0.889 474 L HN -0.010 nan 8.230 nan 0.000 0.433 475 E N -0.941 119.327 120.200 0.114 0.000 3.651 475 E HA 0.156 4.503 4.350 -0.005 0.000 0.220 475 E C -1.912 174.602 176.600 -0.143 0.000 1.222 475 E CA -1.133 55.256 56.400 -0.019 0.000 1.114 475 E CB 0.719 30.459 29.700 0.067 0.000 1.278 475 E HN 0.287 nan 8.360 nan 0.000 0.412 476 P HA -0.257 nan 4.420 nan 0.000 0.217 476 P C 1.177 178.544 177.300 0.111 0.000 1.148 476 P CA 1.423 64.417 63.100 -0.176 0.000 0.828 476 P CB -0.041 31.423 31.700 -0.394 0.000 0.783 477 H N 0.171 119.357 119.070 0.195 0.000 2.491 477 H HA 0.062 4.615 4.556 -0.005 0.000 0.290 477 H C 1.487 176.930 175.328 0.192 0.000 1.050 477 H CA 0.740 56.895 56.048 0.178 0.000 1.309 477 H CB -0.678 29.153 29.762 0.114 0.000 1.392 477 H HN 0.153 nan 8.280 nan 0.000 0.554 478 K N 0.406 120.614 120.400 -0.320 0.000 2.147 478 K HA -0.041 4.276 4.320 -0.005 0.000 0.205 478 K C 0.024 176.516 176.600 -0.180 0.000 1.049 478 K CA 0.538 56.737 56.287 -0.147 0.000 0.936 478 K CB -0.074 32.261 32.500 -0.273 0.000 0.722 478 K HN 0.107 nan 8.250 nan 0.000 0.446 479 F N 1.866 121.850 119.950 0.057 0.000 2.456 479 F HA 0.094 4.618 4.527 -0.005 0.000 0.358 479 F C 0.668 176.469 175.800 0.001 0.000 1.095 479 F CA 0.283 58.315 58.000 0.052 0.000 1.216 479 F CB 0.685 39.774 39.000 0.149 0.000 1.125 479 F HN -0.045 nan 8.300 nan 0.000 0.549 480 Q N 1.782 121.587 119.800 0.008 0.000 2.553 480 Q HA 0.316 4.653 4.340 -0.005 0.000 0.293 480 Q C -1.246 174.701 176.000 -0.088 0.000 1.038 480 Q CA -1.192 54.579 55.803 -0.055 0.000 0.777 480 Q CB 3.216 31.871 28.738 -0.138 0.000 1.487 480 Q HN 0.635 nan 8.270 nan 0.000 0.426 481 N N 0.811 119.446 118.700 -0.109 0.000 2.321 481 N HA 0.277 5.014 4.740 -0.005 0.000 0.299 481 N C -1.412 173.993 175.510 -0.174 0.000 1.048 481 N CA -0.368 52.617 53.050 -0.108 0.000 0.836 481 N CB 1.014 39.461 38.487 -0.067 0.000 1.269 481 N HN 0.271 nan 8.380 nan 0.000 0.486 482 K N 2.761 123.067 120.400 -0.157 0.000 2.656 482 K HA 0.195 4.512 4.320 -0.005 0.000 0.241 482 K C -0.952 175.668 176.600 0.033 0.000 0.967 482 K CA -0.521 55.658 56.287 -0.181 0.000 0.946 482 K CB 1.509 33.672 32.500 -0.562 0.000 1.164 482 K HN 0.538 nan 8.250 nan 0.000 0.459 483 T N 2.149 116.734 114.554 0.052 0.000 2.916 483 T HA 0.073 4.420 4.350 -0.005 0.000 0.303 483 T C 0.719 175.552 174.700 0.221 0.000 1.025 483 T CA 0.101 62.283 62.100 0.138 0.000 1.142 483 T CB 0.251 69.207 68.868 0.146 0.000 0.947 483 T HN 0.386 nan 8.240 nan 0.000 0.544 484 N N 0.623 119.475 118.700 0.254 0.000 2.273 484 N HA 0.349 5.087 4.740 -0.005 0.000 0.227 484 N C 0.537 176.236 175.510 0.316 0.000 1.292 484 N CA -0.135 53.094 53.050 0.298 0.000 0.875 484 N CB 0.346 38.949 38.487 0.194 0.000 1.105 484 N HN 0.766 nan 8.380 nan 0.000 0.434 485 G N -0.651 108.340 108.800 0.317 0.000 2.727 485 G HA2 0.652 4.609 3.960 -0.005 0.000 0.289 485 G HA3 0.652 4.609 3.960 -0.005 0.000 0.289 485 G C -1.379 173.648 174.900 0.211 0.000 1.418 485 G CA -0.794 44.475 45.100 0.283 0.000 0.818 485 G HN 0.611 nan 8.290 nan 0.000 0.486 486 I N -2.373 118.305 120.570 0.181 0.000 2.647 486 I HA 0.655 4.822 4.170 -0.005 0.000 0.295 486 I C -0.183 176.099 176.117 0.274 0.000 1.078 486 I CA -0.840 60.561 61.300 0.168 0.000 1.048 486 I CB 2.355 40.326 38.000 -0.049 0.000 1.239 486 I HN 0.463 nan 8.210 nan 0.000 0.421 487 T N 5.857 120.628 114.554 0.362 0.000 2.888 487 T HA 0.243 4.590 4.350 -0.005 0.000 0.301 487 T C -1.238 173.602 174.700 0.234 0.000 1.001 487 T CA -1.136 61.110 62.100 0.242 0.000 1.147 487 T CB 0.671 69.627 68.868 0.147 0.000 0.931 487 T HN 0.657 nan 8.240 nan 0.000 0.541 488 P HA 0.009 nan 4.420 nan 0.000 0.233 488 P C 1.020 178.302 177.300 -0.030 0.000 1.167 488 P CA 0.378 63.528 63.100 0.083 0.000 0.770 488 P CB 0.366 32.100 31.700 0.057 0.000 0.837 489 R N 0.728 121.156 120.500 -0.121 0.000 2.107 489 R HA -0.051 4.286 4.340 -0.005 0.000 0.223 489 R C 2.671 178.873 176.300 -0.163 0.000 1.138 489 R CA 1.639 57.631 56.100 -0.179 0.000 0.900 489 R CB -1.631 28.563 30.300 -0.177 0.000 0.814 489 R HN 0.067 nan 8.270 nan 0.000 0.437 490 R N -0.442 119.910 120.500 -0.246 0.000 2.080 490 R HA -0.142 4.195 4.340 -0.005 0.000 0.236 490 R C 1.323 177.359 176.300 -0.439 0.000 1.137 490 R CA 1.937 57.726 56.100 -0.518 0.000 0.943 490 R CB -0.294 29.452 30.300 -0.922 0.000 0.846 490 R HN 0.345 nan 8.270 nan 0.000 0.431 491 W N -0.058 121.208 121.300 -0.057 0.000 3.438 491 W HA 0.137 4.794 4.660 -0.006 0.000 0.322 491 W C 0.940 177.439 176.519 -0.033 0.000 1.261 491 W CA -0.737 56.577 57.345 -0.053 0.000 1.788 491 W CB 0.326 29.761 29.460 -0.042 0.000 1.065 491 W HN 0.275 nan 8.180 nan 0.000 0.715 492 L N -2.482 118.813 121.223 0.122 0.000 2.230 492 L HA 0.166 4.503 4.340 -0.005 0.000 0.164 492 L C 1.681 178.573 176.870 0.038 0.000 1.237 492 L CA 0.708 55.604 54.840 0.094 0.000 1.030 492 L CB -0.793 41.345 42.059 0.131 0.000 2.103 492 L HN -0.251 nan 8.230 nan 0.000 0.490 493 V N 1.563 121.478 119.914 0.000 0.000 2.343 493 V HA -0.252 3.865 4.120 -0.005 0.000 0.247 493 V C 2.503 178.581 176.094 -0.028 0.000 1.051 493 V CA 2.335 64.626 62.300 -0.015 0.000 1.036 493 V CB -0.658 31.123 31.823 -0.069 0.000 0.654 493 V HN 0.384 nan 8.190 nan 0.000 0.451 494 L N 0.439 121.618 121.223 -0.073 0.000 1.973 494 L HA -0.175 4.162 4.340 -0.005 0.000 0.208 494 L C 2.885 179.708 176.870 -0.077 0.000 1.073 494 L CA 2.141 56.924 54.840 -0.094 0.000 0.746 494 L CB -1.077 40.878 42.059 -0.173 0.000 0.891 494 L HN 0.629 nan 8.230 nan 0.000 0.433 495 C N -1.479 117.767 119.300 -0.090 0.000 2.435 495 C HA -0.012 4.445 4.460 -0.005 0.000 0.279 495 C C 1.382 176.360 174.990 -0.021 0.000 1.321 495 C CA 0.177 59.158 59.018 -0.062 0.000 1.752 495 C CB -0.949 26.765 27.740 -0.044 0.000 1.959 495 C HN 0.522 nan 8.230 nan 0.000 0.500 496 N N 1.068 119.767 118.700 -0.002 0.000 2.765 496 N HA 0.311 5.048 4.740 -0.005 0.000 0.277 496 N C -1.805 173.718 175.510 0.021 0.000 1.750 496 N CA -1.703 51.354 53.050 0.012 0.000 0.827 496 N CB 0.787 39.289 38.487 0.024 0.000 1.200 496 N HN 0.314 nan 8.380 nan 0.000 0.494 497 P HA 0.005 nan 4.420 nan 0.000 0.221 497 P C 1.349 178.664 177.300 0.024 0.000 1.150 497 P CA 0.689 63.803 63.100 0.022 0.000 0.800 497 P CB 0.320 32.027 31.700 0.011 0.000 0.787 498 G N 0.817 109.625 108.800 0.012 0.000 2.418 498 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.217 498 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.217 498 G C 1.449 176.351 174.900 0.002 0.000 1.158 498 G CA 0.531 45.633 45.100 0.003 0.000 0.771 498 G HN 0.260 nan 8.290 nan 0.000 0.545 499 L N 0.995 122.222 121.223 0.007 0.000 2.240 499 L HA 0.392 4.729 4.340 -0.005 0.000 0.211 499 L C 2.854 179.744 176.870 0.033 0.000 1.106 499 L CA 1.624 56.463 54.840 -0.002 0.000 0.793 499 L CB -0.438 41.622 42.059 0.002 0.000 0.927 499 L HN 0.203 nan 8.230 nan 0.000 0.446 500 A N -0.778 122.086 122.820 0.073 0.000 1.897 500 A HA -0.148 4.169 4.320 -0.005 0.000 0.215 500 A C 2.230 179.908 177.584 0.157 0.000 1.181 500 A CA 1.370 53.503 52.037 0.159 0.000 0.620 500 A CB -0.503 18.584 19.000 0.145 0.000 0.821 500 A HN 0.458 nan 8.150 nan 0.000 0.443 501 E N 0.821 121.073 120.200 0.088 0.000 2.047 501 E HA -0.157 4.190 4.350 -0.005 0.000 0.191 501 E C 1.873 178.511 176.600 0.063 0.000 0.987 501 E CA 1.569 58.014 56.400 0.075 0.000 0.799 501 E CB -0.522 29.204 29.700 0.044 0.000 0.752 501 E HN 0.708 nan 8.360 nan 0.000 0.449 502 I N -1.564 119.030 120.570 0.039 0.000 2.423 502 I HA -0.177 3.990 4.170 -0.005 0.000 0.254 502 I C 2.058 178.249 176.117 0.124 0.000 1.151 502 I CA 1.248 62.580 61.300 0.053 0.000 1.421 502 I CB -0.401 37.593 38.000 -0.011 0.000 1.079 502 I HN 0.032 nan 8.210 nan 0.000 0.431 503 I N 1.724 122.338 120.570 0.073 0.000 2.439 503 I HA -0.124 4.043 4.170 -0.005 0.000 0.251 503 I C 2.943 179.001 176.117 -0.098 0.000 1.139 503 I CA 1.079 62.349 61.300 -0.050 0.000 1.438 503 I CB -0.353 37.476 38.000 -0.285 0.000 1.085 503 I HN 0.294 nan 8.210 nan 0.000 0.427 504 A N 0.514 123.377 122.820 0.071 0.000 1.929 504 A HA -0.171 4.146 4.320 -0.005 0.000 0.216 504 A C 2.142 179.769 177.584 0.073 0.000 1.176 504 A CA 1.203 53.353 52.037 0.188 0.000 0.628 504 A CB -0.467 18.663 19.000 0.216 0.000 0.816 504 A HN 0.376 nan 8.150 nan 0.000 0.444 505 E N -0.502 119.720 120.200 0.037 0.000 2.114 505 E HA -0.241 4.106 4.350 -0.005 0.000 0.199 505 E C 2.262 178.828 176.600 -0.057 0.000 1.008 505 E CA 1.356 57.755 56.400 -0.001 0.000 0.810 505 E CB -0.093 29.606 29.700 -0.002 0.000 0.739 505 E HN 0.367 nan 8.360 nan 0.000 0.456 506 R N 0.217 120.633 120.500 -0.141 0.000 2.052 506 R HA 0.049 4.386 4.340 -0.005 0.000 0.224 506 R C 2.386 178.637 176.300 -0.082 0.000 1.149 506 R CA 1.042 56.995 56.100 -0.246 0.000 0.962 506 R CB -0.532 29.338 30.300 -0.716 0.000 0.856 506 R HN 0.346 nan 8.270 nan 0.000 0.433 507 I N -2.418 118.116 120.570 -0.061 0.000 3.941 507 I HA 0.404 4.571 4.170 -0.005 0.000 0.335 507 I C 0.446 176.616 176.117 0.089 0.000 1.402 507 I CA 0.127 61.439 61.300 0.019 0.000 1.112 507 I CB 0.326 38.329 38.000 0.004 0.000 1.043 507 I HN 0.200 nan 8.210 nan 0.000 0.395 508 G N 2.167 111.027 108.800 0.100 0.000 2.693 508 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.226 508 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.226 508 G C 0.022 175.080 174.900 0.263 0.000 1.354 508 G CA 0.299 45.485 45.100 0.143 0.000 0.873 508 G HN 0.501 nan 8.290 nan 0.000 0.562 509 E N -0.199 120.093 120.200 0.154 0.000 2.526 509 E HA 0.128 4.475 4.350 -0.005 0.000 0.208 509 E C 1.923 178.457 176.600 -0.111 0.000 0.997 509 E CA 0.218 56.641 56.400 0.039 0.000 0.961 509 E CB 0.393 30.102 29.700 0.015 0.000 1.030 509 E HN 0.631 nan 8.360 nan 0.000 0.483 510 E N 0.337 120.552 120.200 0.024 0.000 2.204 510 E HA -0.213 4.134 4.350 -0.005 0.000 0.195 510 E C 1.681 178.244 176.600 -0.061 0.000 0.990 510 E CA 1.070 57.466 56.400 -0.006 0.000 0.821 510 E CB -0.198 29.532 29.700 0.049 0.000 0.750 510 E HN 0.457 nan 8.360 nan 0.000 0.477 511 Y N 0.148 120.454 120.300 0.011 0.000 2.193 511 Y HA -0.226 4.322 4.550 -0.003 0.000 0.285 511 Y C 1.904 177.787 175.900 -0.028 0.000 1.166 511 Y CA 1.007 59.106 58.100 0.000 0.000 1.181 511 Y CB -0.857 37.610 38.460 0.012 0.000 0.976 511 Y HN -0.068 nan 8.280 nan 0.000 0.520 512 I N 1.019 121.062 120.570 -0.877 0.000 2.236 512 I HA -0.293 3.874 4.170 -0.005 0.000 0.249 512 I C 1.746 177.633 176.117 -0.382 0.000 1.102 512 I CA 2.071 62.965 61.300 -0.677 0.000 1.365 512 I CB -0.561 36.955 38.000 -0.807 0.000 1.051 512 I HN 0.525 nan 8.210 nan 0.000 0.420 513 S N -1.875 113.685 115.700 -0.233 0.000 2.741 513 S HA 0.225 4.692 4.470 -0.005 0.000 0.247 513 S C -0.020 174.560 174.600 -0.033 0.000 1.050 513 S CA -0.559 57.578 58.200 -0.104 0.000 1.025 513 S CB 0.311 63.494 63.200 -0.027 0.000 0.897 513 S HN 0.331 nan 8.310 nan 0.000 0.508 514 D N 0.640 121.026 120.400 -0.024 0.000 3.036 514 D HA 0.202 4.839 4.640 -0.005 0.000 0.244 514 D C 0.264 176.601 176.300 0.063 0.000 1.337 514 D CA -0.359 53.652 54.000 0.018 0.000 0.829 514 D CB 0.415 41.229 40.800 0.024 0.000 1.478 514 D HN 0.153 nan 8.370 nan 0.000 0.570 515 L N 1.314 122.573 121.223 0.059 0.000 2.217 515 L HA 0.052 4.389 4.340 -0.005 0.000 0.211 515 L C 1.476 178.397 176.870 0.084 0.000 1.107 515 L CA 1.503 56.408 54.840 0.109 0.000 0.783 515 L CB -0.111 42.004 42.059 0.094 0.000 0.919 515 L HN 0.249 nan 8.230 nan 0.000 0.442 516 D N -0.413 120.009 120.400 0.037 0.000 2.172 516 D HA -0.277 4.360 4.640 -0.005 0.000 0.196 516 D C 1.936 178.258 176.300 0.037 0.000 0.999 516 D CA 1.182 55.193 54.000 0.017 0.000 0.856 516 D CB -0.078 40.717 40.800 -0.008 0.000 0.934 516 D HN 0.526 nan 8.370 nan 0.000 0.453 517 Q N -0.071 119.768 119.800 0.065 0.000 2.449 517 Q HA -0.128 4.209 4.340 -0.005 0.000 0.214 517 Q C 2.336 178.368 176.000 0.055 0.000 0.986 517 Q CA 0.231 56.077 55.803 0.072 0.000 0.893 517 Q CB -0.155 28.655 28.738 0.120 0.000 0.940 517 Q HN 0.436 nan 8.270 nan 0.000 0.477 518 L N 0.100 121.356 121.223 0.056 0.000 2.189 518 L HA -0.236 4.101 4.340 -0.005 0.000 0.214 518 L C 2.346 179.226 176.870 0.017 0.000 1.097 518 L CA 1.125 55.973 54.840 0.015 0.000 0.764 518 L CB -0.352 41.731 42.059 0.040 0.000 0.900 518 L HN 0.234 nan 8.230 nan 0.000 0.436 519 R N 0.055 120.565 120.500 0.018 0.000 2.152 519 R HA -0.161 4.176 4.340 -0.005 0.000 0.232 519 R C 2.154 178.449 176.300 -0.009 0.000 1.117 519 R CA 0.973 57.077 56.100 0.007 0.000 0.981 519 R CB -0.138 30.161 30.300 -0.001 0.000 0.870 519 R HN 0.414 nan 8.270 nan 0.000 0.451 520 K N 0.583 120.977 120.400 -0.010 0.000 2.209 520 K HA -0.100 4.217 4.320 -0.005 0.000 0.204 520 K C 1.845 178.424 176.600 -0.035 0.000 1.048 520 K CA 0.961 57.231 56.287 -0.029 0.000 0.940 520 K CB -0.083 32.417 32.500 0.000 0.000 0.729 520 K HN 0.213 nan 8.250 nan 0.000 0.451 521 L N 0.959 122.189 121.223 0.012 0.000 2.549 521 L HA -0.096 4.241 4.340 -0.005 0.000 0.229 521 L C 1.951 178.848 176.870 0.045 0.000 1.158 521 L CA 0.342 55.223 54.840 0.069 0.000 0.842 521 L CB -0.372 41.751 42.059 0.108 0.000 0.952 521 L HN 0.173 nan 8.230 nan 0.000 0.452 522 L N -0.778 120.437 121.223 -0.013 0.000 2.201 522 L HA -0.156 4.181 4.340 -0.005 0.000 0.212 522 L C 2.521 179.325 176.870 -0.109 0.000 1.105 522 L CA 0.767 55.593 54.840 -0.022 0.000 0.775 522 L CB -0.320 41.724 42.059 -0.024 0.000 0.913 522 L HN 0.209 nan 8.230 nan 0.000 0.440 523 S N -1.092 114.453 115.700 -0.258 0.000 2.493 523 S HA -0.159 4.308 4.470 -0.005 0.000 0.243 523 S C 1.129 175.354 174.600 -0.625 0.000 0.991 523 S CA 1.007 58.933 58.200 -0.457 0.000 0.957 523 S CB -0.279 62.526 63.200 -0.658 0.000 0.756 523 S HN 0.418 nan 8.310 nan 0.000 0.521 524 Y N 0.512 120.740 120.300 -0.120 0.000 2.485 524 Y HA 0.198 4.745 4.550 -0.005 0.000 0.260 524 Y C 1.914 177.854 175.900 0.067 0.000 1.173 524 Y CA -0.679 57.367 58.100 -0.091 0.000 1.252 524 Y CB -0.563 37.675 38.460 -0.370 0.000 1.123 524 Y HN 0.153 nan 8.280 nan 0.000 0.524 525 V N -2.486 117.488 119.914 0.101 0.000 2.568 525 V HA -0.209 3.908 4.120 -0.005 0.000 0.253 525 V C 0.795 176.953 176.094 0.107 0.000 1.072 525 V CA 2.029 64.401 62.300 0.120 0.000 1.084 525 V CB -0.112 31.745 31.823 0.057 0.000 0.676 525 V HN 0.261 nan 8.190 nan 0.000 0.469 526 D N -0.212 120.236 120.400 0.079 0.000 2.462 526 D HA 0.156 4.793 4.640 -0.005 0.000 0.221 526 D C 0.157 176.510 176.300 0.087 0.000 1.173 526 D CA 0.066 54.104 54.000 0.064 0.000 0.831 526 D CB 0.197 41.012 40.800 0.025 0.000 1.001 526 D HN 0.544 nan 8.370 nan 0.000 0.499 527 D N 1.816 122.309 120.400 0.155 0.000 2.365 527 D HA 0.000 4.637 4.640 -0.005 0.000 0.237 527 D C 1.030 177.431 176.300 0.169 0.000 1.190 527 D CA -0.093 54.023 54.000 0.194 0.000 0.867 527 D CB 1.210 42.224 40.800 0.356 0.000 1.050 527 D HN -0.127 nan 8.370 nan 0.000 0.491 528 E N 2.824 123.090 120.200 0.109 0.000 2.153 528 E HA -0.148 4.199 4.350 -0.005 0.000 0.194 528 E C 1.702 178.349 176.600 0.078 0.000 0.988 528 E CA 0.561 57.009 56.400 0.080 0.000 0.811 528 E CB -0.087 29.645 29.700 0.053 0.000 0.746 528 E HN 0.630 nan 8.360 nan 0.000 0.466 529 A N 0.986 123.863 122.820 0.095 0.000 1.858 529 A HA -0.173 4.144 4.320 -0.005 0.000 0.216 529 A C 2.095 179.737 177.584 0.097 0.000 1.190 529 A CA 1.167 53.251 52.037 0.078 0.000 0.617 529 A CB -0.887 18.156 19.000 0.072 0.000 0.827 529 A HN 0.220 nan 8.150 nan 0.000 0.443 530 F N 0.641 120.575 119.950 -0.026 0.000 2.091 530 F HA -0.202 4.323 4.527 -0.003 0.000 0.299 530 F C 2.106 177.899 175.800 -0.012 0.000 1.103 530 F CA 1.691 59.661 58.000 -0.051 0.000 1.228 530 F CB -0.360 38.607 39.000 -0.056 0.000 0.984 530 F HN 0.180 nan 8.300 nan 0.000 0.477 531 I N -0.375 120.231 120.570 0.060 0.000 2.226 531 I HA -0.324 3.843 4.170 -0.005 0.000 0.245 531 I C 2.702 178.782 176.117 -0.063 0.000 1.100 531 I CA 1.480 62.768 61.300 -0.019 0.000 1.374 531 I CB -0.554 37.475 38.000 0.048 0.000 1.057 531 I HN 0.085 nan 8.210 nan 0.000 0.413 532 R N 0.987 121.467 120.500 -0.034 0.000 2.091 532 R HA -0.206 4.131 4.340 -0.005 0.000 0.238 532 R C 1.760 178.008 176.300 -0.087 0.000 1.136 532 R CA 2.075 58.147 56.100 -0.046 0.000 0.959 532 R CB -0.203 30.087 30.300 -0.017 0.000 0.856 532 R HN 0.325 nan 8.270 nan 0.000 0.437 533 D N -0.089 120.234 120.400 -0.127 0.000 2.117 533 D HA -0.109 4.528 4.640 -0.005 0.000 0.198 533 D C 2.022 178.196 176.300 -0.210 0.000 0.982 533 D CA 1.064 54.969 54.000 -0.157 0.000 0.828 533 D CB -0.236 40.468 40.800 -0.160 0.000 0.967 533 D HN 0.071 nan 8.370 nan 0.000 0.464 534 V N 1.736 121.452 119.914 -0.330 0.000 2.255 534 V HA -0.273 3.844 4.120 -0.005 0.000 0.247 534 V C 2.588 178.592 176.094 -0.150 0.000 1.051 534 V CA 2.049 64.168 62.300 -0.302 0.000 1.018 534 V CB -0.965 30.610 31.823 -0.414 0.000 0.641 534 V HN 0.198 nan 8.190 nan 0.000 0.445 535 A N -0.513 122.238 122.820 -0.117 0.000 1.978 535 A HA -0.281 4.036 4.320 -0.005 0.000 0.220 535 A C 2.359 179.900 177.584 -0.071 0.000 1.170 535 A CA 2.259 54.255 52.037 -0.070 0.000 0.636 535 A CB -0.492 18.471 19.000 -0.062 0.000 0.810 535 A HN 0.570 nan 8.150 nan 0.000 0.448 536 K N -0.398 119.954 120.400 -0.080 0.000 2.031 536 K HA -0.045 4.272 4.320 -0.005 0.000 0.205 536 K C 1.811 178.375 176.600 -0.059 0.000 1.049 536 K CA 1.427 57.676 56.287 -0.064 0.000 0.939 536 K CB -0.241 32.224 32.500 -0.059 0.000 0.717 536 K HN 0.203 nan 8.250 nan 0.000 0.438 537 V N 1.875 121.748 119.914 -0.068 0.000 2.343 537 V HA -0.232 3.885 4.120 -0.005 0.000 0.247 537 V C 2.387 178.456 176.094 -0.042 0.000 1.051 537 V CA 1.960 64.228 62.300 -0.053 0.000 1.036 537 V CB -0.414 31.369 31.823 -0.067 0.000 0.654 537 V HN 0.359 nan 8.190 nan 0.000 0.451 538 K N 0.497 120.869 120.400 -0.046 0.000 2.026 538 K HA -0.219 4.098 4.320 -0.005 0.000 0.208 538 K C 2.158 178.716 176.600 -0.070 0.000 1.048 538 K CA 1.749 58.013 56.287 -0.038 0.000 0.929 538 K CB -0.536 31.953 32.500 -0.018 0.000 0.713 538 K HN 0.355 nan 8.250 nan 0.000 0.439 539 Q N 1.102 120.855 119.800 -0.079 0.000 2.181 539 Q HA -0.148 4.189 4.340 -0.005 0.000 0.205 539 Q C 1.578 177.540 176.000 -0.063 0.000 0.980 539 Q CA 1.991 57.736 55.803 -0.096 0.000 0.862 539 Q CB -0.107 28.583 28.738 -0.081 0.000 0.905 539 Q HN 0.543 nan 8.270 nan 0.000 0.429 540 E N -0.718 119.459 120.200 -0.037 0.000 2.106 540 E HA -0.132 4.215 4.350 -0.005 0.000 0.192 540 E C 1.690 178.298 176.600 0.013 0.000 0.984 540 E CA 0.959 57.353 56.400 -0.010 0.000 0.806 540 E CB -0.018 29.676 29.700 -0.010 0.000 0.750 540 E HN 0.416 nan 8.360 nan 0.000 0.458 541 N N 1.032 119.735 118.700 0.005 0.000 2.142 541 N HA -0.121 4.616 4.740 -0.005 0.000 0.186 541 N C 1.447 177.014 175.510 0.094 0.000 1.023 541 N CA 0.977 54.052 53.050 0.041 0.000 0.852 541 N CB -0.110 38.389 38.487 0.019 0.000 0.998 541 N HN 0.104 nan 8.380 nan 0.000 0.424 542 K N 0.653 121.053 120.400 -0.000 0.000 2.103 542 K HA -0.064 4.253 4.320 -0.005 0.000 0.207 542 K C 2.026 178.692 176.600 0.111 0.000 1.048 542 K CA 0.852 57.102 56.287 -0.062 0.000 0.930 542 K CB -0.218 31.949 32.500 -0.554 0.000 0.716 542 K HN 0.156 nan 8.250 nan 0.000 0.444 543 L N 0.899 122.159 121.223 0.062 0.000 2.056 543 L HA -0.167 4.170 4.340 -0.005 0.000 0.207 543 L C 2.595 179.540 176.870 0.125 0.000 1.078 543 L CA 1.171 56.064 54.840 0.088 0.000 0.749 543 L CB -0.372 41.714 42.059 0.045 0.000 0.901 543 L HN 0.148 nan 8.230 nan 0.000 0.433 544 K N 0.044 120.522 120.400 0.130 0.000 2.020 544 K HA -0.272 4.045 4.320 -0.005 0.000 0.212 544 K C 2.158 178.891 176.600 0.221 0.000 1.050 544 K CA 1.950 58.328 56.287 0.151 0.000 0.929 544 K CB -0.287 32.292 32.500 0.131 0.000 0.714 544 K HN 0.062 nan 8.250 nan 0.000 0.443 545 F N 0.938 120.973 119.950 0.141 0.000 2.171 545 F HA -0.101 4.423 4.527 -0.005 0.000 0.300 545 F C 1.948 177.888 175.800 0.234 0.000 1.090 545 F CA 1.308 59.413 58.000 0.175 0.000 1.293 545 F CB -0.476 38.641 39.000 0.194 0.000 1.013 545 F HN 0.123 nan 8.300 nan 0.000 0.486 546 A N -0.033 122.908 122.820 0.201 0.000 1.930 546 A HA 0.034 4.351 4.320 -0.005 0.000 0.217 546 A C 2.382 179.978 177.584 0.020 0.000 1.175 546 A CA 1.476 53.561 52.037 0.079 0.000 0.627 546 A CB -1.378 17.732 19.000 0.183 0.000 0.815 546 A HN 0.423 nan 8.150 nan 0.000 0.443 547 A N -1.525 121.342 122.820 0.078 0.000 1.929 547 A HA -0.028 4.289 4.320 -0.005 0.000 0.216 547 A C 2.078 179.700 177.584 0.064 0.000 1.176 547 A CA 1.438 53.518 52.037 0.071 0.000 0.628 547 A CB -0.742 18.312 19.000 0.090 0.000 0.816 547 A HN 0.726 nan 8.150 nan 0.000 0.444 548 Y N 0.341 120.598 120.300 -0.071 0.000 2.145 548 Y HA -0.169 4.379 4.550 -0.005 0.000 0.286 548 Y C 1.939 177.771 175.900 -0.114 0.000 1.145 548 Y CA 1.893 59.943 58.100 -0.083 0.000 1.148 548 Y CB -0.267 38.143 38.460 -0.082 0.000 0.981 548 Y HN 0.206 nan 8.280 nan 0.000 0.507 549 L N 0.045 121.175 121.223 -0.156 0.000 2.046 549 L HA -0.200 4.137 4.340 -0.005 0.000 0.208 549 L C 2.499 179.308 176.870 -0.102 0.000 1.077 549 L CA 1.836 56.557 54.840 -0.198 0.000 0.747 549 L CB -0.445 41.431 42.059 -0.304 0.000 0.896 549 L HN 0.268 nan 8.230 nan 0.000 0.432 550 E N 0.340 120.500 120.200 -0.067 0.000 2.051 550 E HA -0.251 4.096 4.350 -0.005 0.000 0.192 550 E C 2.163 178.735 176.600 -0.047 0.000 0.991 550 E CA 1.408 57.798 56.400 -0.017 0.000 0.799 550 E CB -0.050 29.666 29.700 0.028 0.000 0.748 550 E HN 0.197 nan 8.360 nan 0.000 0.449 551 R N 0.084 120.536 120.500 -0.080 0.000 2.109 551 R HA -0.155 4.182 4.340 -0.005 0.000 0.227 551 R C 2.080 178.263 176.300 -0.195 0.000 1.132 551 R CA 1.933 57.967 56.100 -0.110 0.000 0.907 551 R CB -0.270 29.977 30.300 -0.089 0.000 0.825 551 R HN 0.114 nan 8.270 nan 0.000 0.432 552 E N -0.509 119.471 120.200 -0.367 0.000 2.107 552 E HA -0.157 4.190 4.350 -0.005 0.000 0.191 552 E C 1.134 177.348 176.600 -0.643 0.000 0.982 552 E CA 1.363 57.407 56.400 -0.594 0.000 0.809 552 E CB 0.059 29.151 29.700 -1.013 0.000 0.756 552 E HN 0.572 nan 8.360 nan 0.000 0.459 553 Y N -0.090 120.069 120.300 -0.236 0.000 2.675 553 Y HA 0.227 4.774 4.550 -0.005 0.000 0.248 553 Y C -0.081 175.769 175.900 -0.084 0.000 1.161 553 Y CA -0.725 57.298 58.100 -0.129 0.000 1.203 553 Y CB 0.578 38.965 38.460 -0.122 0.000 1.262 553 Y HN -0.262 nan 8.280 nan 0.000 0.544 554 K N 0.982 121.403 120.400 0.035 0.000 3.602 554 K HA -0.162 4.155 4.320 -0.005 0.000 0.274 554 K C -0.772 175.864 176.600 0.060 0.000 0.864 554 K CA 0.396 56.705 56.287 0.037 0.000 0.682 554 K CB -1.449 31.068 32.500 0.029 0.000 1.576 554 K HN 0.119 nan 8.250 nan 0.000 0.447 555 V N 1.600 121.540 119.914 0.044 0.000 2.448 555 V HA 0.152 4.269 4.120 -0.005 0.000 0.295 555 V C 0.399 176.505 176.094 0.021 0.000 1.025 555 V CA -0.804 61.513 62.300 0.027 0.000 0.859 555 V CB 1.732 33.544 31.823 -0.019 0.000 0.988 555 V HN 0.397 nan 8.190 nan 0.000 0.431 556 H N 6.682 125.746 119.070 -0.011 0.000 2.640 556 H HA 0.512 5.065 4.556 -0.005 0.000 0.297 556 H C -0.614 174.709 175.328 -0.009 0.000 1.073 556 H CA -0.406 55.640 56.048 -0.003 0.000 1.305 556 H CB 1.166 30.934 29.762 0.010 0.000 1.404 556 H HN 0.734 nan 8.280 nan 0.000 0.459 557 I N 2.359 122.550 120.570 -0.633 0.000 2.562 557 I HA 0.317 4.484 4.170 -0.005 0.000 0.301 557 I C -0.096 175.714 176.117 -0.512 0.000 1.003 557 I CA -1.199 59.813 61.300 -0.479 0.000 1.127 557 I CB 1.709 39.555 38.000 -0.256 0.000 1.304 557 I HN 0.380 nan 8.210 nan 0.000 0.446 558 N N 7.205 125.783 118.700 -0.204 0.000 2.416 558 N HA 0.193 4.930 4.740 -0.005 0.000 0.265 558 N C -1.604 173.989 175.510 0.139 0.000 1.195 558 N CA -2.206 50.843 53.050 -0.001 0.000 0.943 558 N CB 0.665 39.181 38.487 0.048 0.000 1.115 558 N HN 0.486 nan 8.380 nan 0.000 0.481 559 P HA -0.015 nan 4.420 nan 0.000 0.233 559 P C -0.754 176.531 177.300 -0.026 0.000 1.167 559 P CA 0.712 63.866 63.100 0.089 0.000 0.770 559 P CB 0.166 31.900 31.700 0.056 0.000 0.837 560 N N 0.408 119.119 118.700 0.018 0.000 3.170 560 N HA 0.170 4.907 4.740 -0.005 0.000 0.305 560 N C -0.408 175.121 175.510 0.032 0.000 1.499 560 N CA -0.275 52.782 53.050 0.011 0.000 1.110 560 N CB 0.327 38.832 38.487 0.029 0.000 1.390 560 N HN 0.098 nan 8.380 nan 0.000 0.508 561 S N -0.818 114.897 115.700 0.025 0.000 2.627 561 S HA 0.400 4.867 4.470 -0.005 0.000 0.283 561 S C -0.524 174.008 174.600 -0.114 0.000 1.127 561 S CA -1.059 57.138 58.200 -0.005 0.000 0.863 561 S CB 1.296 64.515 63.200 0.030 0.000 1.121 561 S HN 0.276 nan 8.310 nan 0.000 0.479 562 L N 2.437 123.426 121.223 -0.390 0.000 2.530 562 L HA 0.330 4.667 4.340 -0.005 0.000 0.273 562 L C -1.083 175.729 176.870 -0.095 0.000 1.141 562 L CA -0.501 53.946 54.840 -0.655 0.000 0.905 562 L CB -0.386 40.961 42.059 -1.187 0.000 1.202 562 L HN 0.649 nan 8.230 nan 0.000 0.473 563 F N 3.806 123.623 119.950 -0.221 0.000 2.494 563 F HA 0.118 4.643 4.527 -0.004 0.000 0.351 563 F C 0.576 176.315 175.800 -0.100 0.000 1.205 563 F CA -0.731 57.204 58.000 -0.108 0.000 1.125 563 F CB -0.233 38.747 39.000 -0.033 0.000 1.268 563 F HN 0.440 nan 8.300 nan 0.000 0.593 564 D N 3.851 124.248 120.400 -0.005 0.000 2.412 564 D HA 0.356 4.993 4.640 -0.005 0.000 0.224 564 D C -1.013 175.237 176.300 -0.083 0.000 1.093 564 D CA -0.138 53.827 54.000 -0.060 0.000 0.850 564 D CB 0.994 41.735 40.800 -0.098 0.000 1.046 564 D HN 0.126 nan 8.370 nan 0.000 0.507 565 V N 4.665 124.535 119.914 -0.074 0.000 2.409 565 V HA 0.356 4.473 4.120 -0.005 0.000 0.291 565 V C -0.051 175.938 176.094 -0.175 0.000 1.020 565 V CA -0.809 61.447 62.300 -0.074 0.000 0.848 565 V CB 1.552 33.442 31.823 0.113 0.000 0.990 565 V HN 0.503 nan 8.190 nan 0.000 0.430 566 Q N 3.873 123.568 119.800 -0.174 0.000 2.454 566 Q HA 0.588 4.925 4.340 -0.005 0.000 0.255 566 Q C -1.167 174.686 176.000 -0.246 0.000 1.034 566 Q CA -0.437 55.247 55.803 -0.198 0.000 0.736 566 Q CB 1.831 30.474 28.738 -0.159 0.000 1.210 566 Q HN 0.818 nan 8.270 nan 0.000 0.500 567 V N 1.684 121.444 119.914 -0.256 0.000 2.378 567 V HA 0.856 4.973 4.120 -0.005 0.000 0.288 567 V C -0.968 174.887 176.094 -0.399 0.000 1.016 567 V CA -0.490 61.456 62.300 -0.590 0.000 0.840 567 V CB 1.052 32.246 31.823 -1.048 0.000 0.994 567 V HN 0.766 nan 8.190 nan 0.000 0.431 568 K N 2.824 123.053 120.400 -0.284 0.000 2.960 568 K HA 0.424 4.741 4.320 -0.005 0.000 0.296 568 K C -1.248 175.397 176.600 0.076 0.000 1.092 568 K CA -1.150 55.145 56.287 0.014 0.000 0.847 568 K CB 0.871 33.346 32.500 -0.041 0.000 1.458 568 K HN 0.453 nan 8.250 nan 0.000 0.359 569 R N 0.981 121.562 120.500 0.135 0.000 2.734 569 R HA 0.228 4.565 4.340 -0.005 0.000 0.266 569 R C 0.394 176.743 176.300 0.081 0.000 1.044 569 R CA -0.354 55.836 56.100 0.150 0.000 1.128 569 R CB -0.012 30.393 30.300 0.174 0.000 1.010 569 R HN 0.511 nan 8.270 nan 0.000 0.461 570 I N 3.189 123.820 120.570 0.101 0.000 2.441 570 I HA 0.158 4.325 4.170 -0.005 0.000 0.287 570 I C 0.717 176.865 176.117 0.052 0.000 1.049 570 I CA 0.435 61.751 61.300 0.027 0.000 1.381 570 I CB 0.139 38.136 38.000 -0.005 0.000 1.409 570 I HN 0.397 nan 8.210 nan 0.000 0.523 571 H N 4.711 123.716 119.070 -0.109 0.000 3.068 571 H HA 0.191 4.744 4.556 -0.005 0.000 0.342 571 H C 0.229 175.463 175.328 -0.156 0.000 1.284 571 H CA -0.360 55.684 56.048 -0.007 0.000 1.181 571 H CB 1.778 31.445 29.762 -0.157 0.000 1.898 571 H HN 0.609 nan 8.280 nan 0.000 0.540 572 E N 1.719 121.969 120.200 0.084 0.000 2.118 572 E HA -0.236 4.111 4.350 -0.005 0.000 0.195 572 E C 1.429 177.862 176.600 -0.279 0.000 0.992 572 E CA 1.823 58.254 56.400 0.052 0.000 0.804 572 E CB -0.099 29.738 29.700 0.229 0.000 0.741 572 E HN 0.549 nan 8.360 nan 0.000 0.458 573 Y N 1.126 121.000 120.300 -0.710 0.000 2.274 573 Y HA -0.122 4.424 4.550 -0.005 0.000 0.290 573 Y C 1.535 177.208 175.900 -0.378 0.000 1.145 573 Y CA 1.161 58.638 58.100 -1.038 0.000 1.203 573 Y CB -0.190 37.605 38.460 -1.109 0.000 0.984 573 Y HN -0.200 nan 8.280 nan 0.000 0.533 574 K N 0.428 120.420 120.400 -0.680 0.000 2.365 574 K HA 0.092 4.409 4.320 -0.005 0.000 0.197 574 K C 0.168 176.634 176.600 -0.224 0.000 1.042 574 K CA 0.579 56.574 56.287 -0.485 0.000 0.987 574 K CB 0.027 32.191 32.500 -0.562 0.000 0.779 574 K HN 0.255 nan 8.250 nan 0.000 0.484 575 R N 0.237 120.629 120.500 -0.179 0.000 3.423 575 R HA -0.232 4.105 4.340 -0.005 0.000 0.271 575 R C 0.410 176.641 176.300 -0.115 0.000 1.093 575 R CA 0.298 56.332 56.100 -0.110 0.000 0.730 575 R CB -2.163 28.088 30.300 -0.081 0.000 1.190 575 R HN 0.307 nan 8.270 nan 0.000 0.437 576 Q N 0.547 120.279 119.800 -0.115 0.000 2.133 576 Q HA -0.143 4.194 4.340 -0.005 0.000 0.208 576 Q C 2.103 178.054 176.000 -0.082 0.000 0.991 576 Q CA 2.071 57.817 55.803 -0.095 0.000 0.867 576 Q CB -0.096 28.588 28.738 -0.089 0.000 0.911 576 Q HN 0.576 nan 8.270 nan 0.000 0.417 577 L N -0.442 120.735 121.223 -0.078 0.000 2.042 577 L HA -0.217 4.120 4.340 -0.005 0.000 0.210 577 L C 2.212 179.074 176.870 -0.013 0.000 1.076 577 L CA 0.815 55.622 54.840 -0.056 0.000 0.749 577 L CB -0.520 41.519 42.059 -0.033 0.000 0.893 577 L HN 0.315 nan 8.230 nan 0.000 0.432 578 L N 0.041 121.250 121.223 -0.024 0.000 2.042 578 L HA -0.263 4.074 4.340 -0.005 0.000 0.210 578 L C 2.063 178.938 176.870 0.007 0.000 1.076 578 L CA 2.034 56.856 54.840 -0.030 0.000 0.749 578 L CB -0.890 41.064 42.059 -0.174 0.000 0.893 578 L HN 0.291 nan 8.230 nan 0.000 0.432 579 N N -1.526 117.156 118.700 -0.031 0.000 2.061 579 N HA -0.260 4.477 4.740 -0.005 0.000 0.193 579 N C 1.892 177.477 175.510 0.125 0.000 1.030 579 N CA 1.784 54.925 53.050 0.151 0.000 0.856 579 N CB -0.172 38.348 38.487 0.056 0.000 1.023 579 N HN 0.534 nan 8.380 nan 0.000 0.424 580 C N 0.548 119.856 119.300 0.014 0.000 2.429 580 C HA -0.042 4.415 4.460 -0.005 0.000 0.277 580 C C 2.573 177.551 174.990 -0.020 0.000 1.262 580 C CA 0.182 59.162 59.018 -0.064 0.000 1.733 580 C CB -1.238 26.407 27.740 -0.158 0.000 2.010 580 C HN 0.482 nan 8.230 nan 0.000 0.483 581 L N 0.023 121.292 121.223 0.076 0.000 1.978 581 L HA -0.307 4.030 4.340 -0.005 0.000 0.218 581 L C 2.734 179.772 176.870 0.280 0.000 1.075 581 L CA 2.378 57.334 54.840 0.194 0.000 0.767 581 L CB -1.365 40.869 42.059 0.291 0.000 0.890 581 L HN 0.564 nan 8.230 nan 0.000 0.434 582 H N 0.064 119.259 119.070 0.209 0.000 2.289 582 H HA -0.193 4.360 4.556 -0.005 0.000 0.294 582 H C 2.255 177.589 175.328 0.010 0.000 1.095 582 H CA 2.438 58.534 56.048 0.080 0.000 1.256 582 H CB 0.151 29.952 29.762 0.065 0.000 1.359 582 H HN 0.124 nan 8.280 nan 0.000 0.487 583 V N 1.454 121.292 119.914 -0.127 0.000 2.255 583 V HA -0.286 3.831 4.120 -0.005 0.000 0.247 583 V C 2.833 178.870 176.094 -0.096 0.000 1.051 583 V CA 2.111 64.303 62.300 -0.179 0.000 1.018 583 V CB -0.520 31.230 31.823 -0.122 0.000 0.641 583 V HN 0.403 nan 8.190 nan 0.000 0.445 584 I N -0.156 120.390 120.570 -0.041 0.000 2.493 584 I HA -0.183 3.984 4.170 -0.005 0.000 0.254 584 I C 2.447 178.638 176.117 0.124 0.000 1.160 584 I CA 1.372 62.722 61.300 0.085 0.000 1.445 584 I CB -0.764 37.275 38.000 0.065 0.000 1.086 584 I HN 0.335 nan 8.210 nan 0.000 0.433 585 T N 1.758 116.345 114.554 0.055 0.000 2.622 585 T HA -0.185 4.162 4.350 -0.005 0.000 0.266 585 T C 1.981 176.645 174.700 -0.060 0.000 1.047 585 T CA 1.423 63.537 62.100 0.023 0.000 1.159 585 T CB -0.493 68.407 68.868 0.055 0.000 0.863 585 T HN 0.258 nan 8.240 nan 0.000 0.422 586 L N -0.344 120.760 121.223 -0.198 0.000 2.043 586 L HA -0.191 4.146 4.340 -0.005 0.000 0.212 586 L C 2.445 179.283 176.870 -0.054 0.000 1.075 586 L CA 1.929 56.662 54.840 -0.180 0.000 0.752 586 L CB -0.694 41.190 42.059 -0.291 0.000 0.891 586 L HN 0.311 nan 8.230 nan 0.000 0.432 587 Y N 1.421 121.661 120.300 -0.101 0.000 2.114 587 Y HA -0.245 4.302 4.550 -0.005 0.000 0.284 587 Y C 2.497 178.383 175.900 -0.023 0.000 1.143 587 Y CA 1.844 59.924 58.100 -0.033 0.000 1.135 587 Y CB -0.254 38.232 38.460 0.042 0.000 0.980 587 Y HN 0.194 nan 8.280 nan 0.000 0.499 588 N N 0.322 119.030 118.700 0.013 0.000 2.309 588 N HA -0.110 4.627 4.740 -0.005 0.000 0.182 588 N C 1.843 177.265 175.510 -0.146 0.000 1.018 588 N CA 1.174 54.157 53.050 -0.111 0.000 0.876 588 N CB -0.298 38.185 38.487 -0.007 0.000 0.972 588 N HN 0.446 nan 8.380 nan 0.000 0.434 589 R N 0.498 120.932 120.500 -0.110 0.000 2.062 589 R HA 0.077 4.414 4.340 -0.005 0.000 0.231 589 R C 2.228 178.453 176.300 -0.125 0.000 1.136 589 R CA 0.815 56.855 56.100 -0.101 0.000 0.948 589 R CB -0.394 29.855 30.300 -0.085 0.000 0.845 589 R HN 0.172 nan 8.270 nan 0.000 0.430 590 I N 1.302 121.782 120.570 -0.150 0.000 2.087 590 I HA -0.363 3.804 4.170 -0.005 0.000 0.240 590 I C 2.178 178.186 176.117 -0.182 0.000 1.054 590 I CA 1.415 62.619 61.300 -0.159 0.000 1.311 590 I CB -0.266 37.637 38.000 -0.162 0.000 1.024 590 I HN 0.070 nan 8.210 nan 0.000 0.402 591 K N 0.958 121.188 120.400 -0.283 0.000 2.152 591 K HA -0.175 4.142 4.320 -0.005 0.000 0.206 591 K C 1.937 178.440 176.600 -0.161 0.000 1.048 591 K CA 1.354 57.486 56.287 -0.257 0.000 0.933 591 K CB -0.380 31.878 32.500 -0.403 0.000 0.721 591 K HN 0.411 nan 8.250 nan 0.000 0.447 592 K N 0.849 121.164 120.400 -0.142 0.000 1.985 592 K HA -0.090 4.227 4.320 -0.005 0.000 0.210 592 K C 0.530 177.085 176.600 -0.075 0.000 1.047 592 K CA 1.141 57.370 56.287 -0.097 0.000 0.932 592 K CB 0.058 32.507 32.500 -0.084 0.000 0.716 592 K HN 0.179 nan 8.250 nan 0.000 0.439 593 E N 0.914 121.070 120.200 -0.073 0.000 2.731 593 E HA 0.087 4.434 4.350 -0.005 0.000 0.220 593 E C -2.098 174.469 176.600 -0.054 0.000 1.087 593 E CA -1.477 54.891 56.400 -0.053 0.000 1.020 593 E CB 1.117 30.792 29.700 -0.042 0.000 1.339 593 E HN 0.157 nan 8.360 nan 0.000 0.444 594 P HA -0.154 nan 4.420 nan 0.000 0.218 594 P C 0.616 177.901 177.300 -0.026 0.000 1.149 594 P CA 1.054 64.123 63.100 -0.051 0.000 0.817 594 P CB 0.373 32.045 31.700 -0.046 0.000 0.785 595 N N -0.277 118.417 118.700 -0.010 0.000 2.467 595 N HA -0.034 4.703 4.740 -0.005 0.000 0.184 595 N C 0.890 176.420 175.510 0.033 0.000 1.106 595 N CA 0.385 53.443 53.050 0.013 0.000 0.892 595 N CB -0.168 38.326 38.487 0.011 0.000 0.969 595 N HN 0.325 nan 8.380 nan 0.000 0.454 596 K N 0.798 121.209 120.400 0.017 0.000 2.350 596 K HA 0.022 4.339 4.320 -0.005 0.000 0.279 596 K C -0.466 176.188 176.600 0.090 0.000 1.027 596 K CA -0.431 55.883 56.287 0.046 0.000 0.969 596 K CB 0.425 32.931 32.500 0.010 0.000 0.954 596 K HN -0.174 nan 8.250 nan 0.000 0.474 597 F N 5.171 125.109 119.950 -0.020 0.000 2.518 597 F HA 0.222 4.746 4.527 -0.005 0.000 0.359 597 F C -0.466 175.320 175.800 -0.024 0.000 1.118 597 F CA -0.067 57.922 58.000 -0.019 0.000 1.287 597 F CB 0.698 39.689 39.000 -0.014 0.000 1.132 597 F HN 0.242 nan 8.300 nan 0.000 0.587 598 V N 4.043 123.342 119.914 -1.025 0.000 2.841 598 V HA 0.529 4.646 4.120 -0.005 0.000 0.310 598 V C -0.760 174.569 176.094 -1.276 0.000 1.090 598 V CA -1.253 60.514 62.300 -0.887 0.000 0.930 598 V CB 0.930 32.503 31.823 -0.417 0.000 1.014 598 V HN 0.636 nan 8.190 nan 0.000 0.425 599 V N 4.660 124.138 119.914 -0.725 0.000 2.539 599 V HA 0.132 4.249 4.120 -0.005 0.000 0.300 599 V C -1.816 174.085 176.094 -0.322 0.000 1.019 599 V CA -0.151 61.920 62.300 -0.382 0.000 1.160 599 V CB 0.113 31.859 31.823 -0.128 0.000 0.901 599 V HN 0.918 nan 8.190 nan 0.000 0.481 600 P HA 0.274 nan 4.420 nan 0.000 0.268 600 P C -0.349 176.845 177.300 -0.176 0.000 1.204 600 P CA 0.155 63.160 63.100 -0.159 0.000 0.768 600 P CB 0.447 32.105 31.700 -0.070 0.000 0.842 601 R N 1.426 121.837 120.500 -0.149 0.000 2.673 601 R HA 0.528 4.865 4.340 -0.005 0.000 0.281 601 R C -0.815 175.425 176.300 -0.100 0.000 0.991 601 R CA -0.629 55.382 56.100 -0.149 0.000 0.896 601 R CB 2.014 32.209 30.300 -0.176 0.000 1.201 601 R HN 0.274 nan 8.270 nan 0.000 0.457 602 T N 2.206 116.712 114.554 -0.080 0.000 2.874 602 T HA 0.224 4.572 4.350 -0.005 0.000 0.321 602 T C -0.317 174.282 174.700 -0.168 0.000 1.075 602 T CA -0.470 61.546 62.100 -0.140 0.000 0.966 602 T CB 0.961 69.694 68.868 -0.225 0.000 1.001 602 T HN 0.155 nan 8.240 nan 0.000 0.476 603 V N 5.807 125.630 119.914 -0.151 0.000 2.334 603 V HA 0.352 4.469 4.120 -0.005 0.000 0.267 603 V C 0.217 176.219 176.094 -0.153 0.000 1.040 603 V CA -0.446 61.772 62.300 -0.136 0.000 0.866 603 V CB 0.287 32.044 31.823 -0.109 0.000 1.019 603 V HN 0.861 nan 8.190 nan 0.000 0.468 604 M N 6.659 126.153 119.600 -0.176 0.000 2.061 604 M HA 0.559 5.036 4.480 -0.005 0.000 0.346 604 M C -0.802 175.369 176.300 -0.215 0.000 1.112 604 M CA -0.052 55.127 55.300 -0.202 0.000 1.021 604 M CB 1.157 33.629 32.600 -0.214 0.000 1.530 604 M HN 0.431 nan 8.290 nan 0.000 0.437 605 I N 2.240 122.665 120.570 -0.243 0.000 2.404 605 I HA 0.821 4.988 4.170 -0.005 0.000 0.293 605 I C 0.365 176.105 176.117 -0.628 0.000 0.992 605 I CA -0.642 60.496 61.300 -0.271 0.000 1.149 605 I CB 1.926 39.872 38.000 -0.090 0.000 1.315 605 I HN 0.764 nan 8.210 nan 0.000 0.446 606 G N 3.012 111.465 108.800 -0.578 0.000 2.718 606 G HA2 0.797 4.754 3.960 -0.005 0.000 0.295 606 G HA3 0.797 4.754 3.960 -0.005 0.000 0.295 606 G C -0.873 173.799 174.900 -0.381 0.000 1.421 606 G CA -0.600 44.045 45.100 -0.758 0.000 0.902 606 G HN 1.022 nan 8.290 nan 0.000 0.501 607 G N -0.381 108.399 108.800 -0.032 0.000 2.326 607 G HA2 0.375 4.332 3.960 -0.005 0.000 0.413 607 G HA3 0.375 4.332 3.960 -0.005 0.000 0.413 607 G C -1.264 173.831 174.900 0.324 0.000 1.444 607 G CA -1.008 44.229 45.100 0.227 0.000 1.002 607 G HN 0.638 nan 8.290 nan 0.000 0.649 608 K N -0.204 120.359 120.400 0.272 0.000 2.156 608 K HA 0.780 5.097 4.320 -0.005 0.000 0.250 608 K C 0.306 177.071 176.600 0.275 0.000 0.955 608 K CA -0.179 56.279 56.287 0.284 0.000 0.855 608 K CB 2.154 34.748 32.500 0.157 0.000 1.101 608 K HN 0.959 nan 8.250 nan 0.000 0.434 609 A N 1.293 124.294 122.820 0.303 0.000 2.309 609 A HA 0.595 4.912 4.320 -0.005 0.000 0.298 609 A C -0.349 177.429 177.584 0.323 0.000 1.165 609 A CA -0.627 51.544 52.037 0.223 0.000 0.821 609 A CB 0.715 19.754 19.000 0.065 0.000 1.102 609 A HN 0.764 nan 8.150 nan 0.000 0.500 610 A N 4.070 127.068 122.820 0.297 0.000 2.492 610 A HA 0.536 4.853 4.320 -0.005 0.000 0.254 610 A C -2.327 175.328 177.584 0.117 0.000 1.091 610 A CA -1.139 51.044 52.037 0.244 0.000 0.768 610 A CB -0.701 18.422 19.000 0.205 0.000 1.028 610 A HN 0.601 nan 8.150 nan 0.000 0.498 611 P HA 0.166 nan 4.420 nan 0.000 0.260 611 P C 1.103 178.403 177.300 0.000 0.000 1.172 611 P CA 1.846 64.889 63.100 -0.095 0.000 0.760 611 P CB 0.430 32.000 31.700 -0.217 0.000 0.773 612 G N 2.293 111.104 108.800 0.020 0.000 2.217 612 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.246 612 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.246 612 G C -0.070 174.886 174.900 0.094 0.000 0.990 612 G CA -0.412 44.714 45.100 0.043 0.000 0.627 612 G HN 0.541 nan 8.290 nan 0.000 0.522 613 Y N 3.449 123.694 120.300 -0.092 0.000 2.573 613 Y HA 0.292 4.839 4.550 -0.005 0.000 0.346 613 Y C 1.646 177.523 175.900 -0.038 0.000 1.198 613 Y CA -0.318 57.708 58.100 -0.123 0.000 1.627 613 Y CB -0.923 37.435 38.460 -0.170 0.000 1.457 613 Y HN 0.467 nan 8.280 nan 0.000 0.483 614 H N 3.557 122.697 119.070 0.117 0.000 2.265 614 H HA -0.264 4.289 4.556 -0.005 0.000 0.295 614 H C 1.822 177.107 175.328 -0.072 0.000 1.084 614 H CA 2.383 58.444 56.048 0.022 0.000 1.261 614 H CB 0.344 30.134 29.762 0.048 0.000 1.360 614 H HN 0.601 nan 8.280 nan 0.000 0.487 615 M N 1.106 120.556 119.600 -0.250 0.000 2.089 615 M HA -0.178 4.299 4.480 -0.005 0.000 0.257 615 M C 2.604 178.582 176.300 -0.536 0.000 1.071 615 M CA 2.072 57.149 55.300 -0.371 0.000 1.096 615 M CB -0.955 31.561 32.600 -0.140 0.000 1.330 615 M HN 0.398 nan 8.290 nan 0.000 0.403 616 A N -0.912 121.334 122.820 -0.957 0.000 1.978 616 A HA -0.204 4.113 4.320 -0.005 0.000 0.220 616 A C 2.225 179.578 177.584 -0.385 0.000 1.170 616 A CA 1.910 53.468 52.037 -0.797 0.000 0.636 616 A CB -0.649 17.565 19.000 -1.309 0.000 0.810 616 A HN 0.599 nan 8.150 nan 0.000 0.448 617 K N -1.365 118.857 120.400 -0.296 0.000 2.186 617 K HA 0.017 4.334 4.320 -0.005 0.000 0.202 617 K C 1.919 178.486 176.600 -0.054 0.000 1.052 617 K CA 0.886 57.115 56.287 -0.096 0.000 0.965 617 K CB -0.183 32.322 32.500 0.007 0.000 0.746 617 K HN 0.335 nan 8.250 nan 0.000 0.457 618 M N 0.820 120.311 119.600 -0.181 0.000 2.080 618 M HA -0.140 4.337 4.480 -0.005 0.000 0.260 618 M C 2.176 178.377 176.300 -0.164 0.000 1.068 618 M CA 1.575 56.797 55.300 -0.129 0.000 1.109 618 M CB -0.821 31.658 32.600 -0.201 0.000 1.342 618 M HN 0.107 nan 8.290 nan 0.000 0.405 619 I N -0.222 120.210 120.570 -0.229 0.000 2.226 619 I HA -0.295 3.872 4.170 -0.005 0.000 0.245 619 I C 2.306 178.264 176.117 -0.264 0.000 1.100 619 I CA 1.051 62.206 61.300 -0.241 0.000 1.374 619 I CB -0.329 37.535 38.000 -0.226 0.000 1.057 619 I HN 0.179 nan 8.210 nan 0.000 0.413 620 I N 0.671 121.069 120.570 -0.286 0.000 2.208 620 I HA -0.316 3.851 4.170 -0.005 0.000 0.245 620 I C 2.573 178.387 176.117 -0.506 0.000 1.097 620 I CA 1.302 62.336 61.300 -0.443 0.000 1.363 620 I CB -0.377 37.309 38.000 -0.524 0.000 1.051 620 I HN 0.149 nan 8.210 nan 0.000 0.413 621 K N 1.291 121.388 120.400 -0.506 0.000 2.103 621 K HA -0.204 4.113 4.320 -0.005 0.000 0.207 621 K C 1.961 178.375 176.600 -0.310 0.000 1.048 621 K CA 1.481 57.367 56.287 -0.670 0.000 0.930 621 K CB -0.458 31.267 32.500 -1.292 0.000 0.716 621 K HN 0.143 nan 8.250 nan 0.000 0.444 622 L N 0.544 121.590 121.223 -0.296 0.000 2.093 622 L HA 0.018 4.355 4.340 -0.005 0.000 0.208 622 L C 1.899 178.528 176.870 -0.402 0.000 1.085 622 L CA 1.522 56.041 54.840 -0.535 0.000 0.755 622 L CB -0.319 41.282 42.059 -0.763 0.000 0.904 622 L HN 0.266 nan 8.230 nan 0.000 0.435 623 I N -0.703 119.683 120.570 -0.306 0.000 2.179 623 I HA -0.306 3.861 4.170 -0.005 0.000 0.242 623 I C 2.409 178.425 176.117 -0.169 0.000 1.088 623 I CA 1.834 63.012 61.300 -0.202 0.000 1.357 623 I CB -0.787 37.175 38.000 -0.062 0.000 1.051 623 I HN 0.450 nan 8.210 nan 0.000 0.409 624 T N -0.885 113.551 114.554 -0.196 0.000 2.904 624 T HA -0.013 4.334 4.350 -0.005 0.000 0.267 624 T C 2.002 176.642 174.700 -0.099 0.000 1.059 624 T CA 0.787 62.807 62.100 -0.132 0.000 1.137 624 T CB -0.447 68.297 68.868 -0.206 0.000 0.879 624 T HN 0.319 nan 8.240 nan 0.000 0.467 625 A N 2.058 124.814 122.820 -0.106 0.000 1.892 625 A HA 0.000 4.317 4.320 -0.005 0.000 0.218 625 A C 2.341 179.939 177.584 0.022 0.000 1.188 625 A CA 1.710 53.757 52.037 0.015 0.000 0.631 625 A CB -0.979 18.148 19.000 0.211 0.000 0.822 625 A HN 0.615 nan 8.150 nan 0.000 0.447 626 I N -0.341 120.128 120.570 -0.168 0.000 2.091 626 I HA -0.280 3.887 4.170 -0.005 0.000 0.239 626 I C 2.793 178.849 176.117 -0.103 0.000 1.061 626 I CA 1.395 62.565 61.300 -0.217 0.000 1.317 626 I CB -1.026 36.730 38.000 -0.405 0.000 1.031 626 I HN 0.397 nan 8.210 nan 0.000 0.401 627 G N 0.749 109.483 108.800 -0.109 0.000 2.513 627 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.219 627 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.219 627 G C 1.244 176.107 174.900 -0.062 0.000 1.160 627 G CA 1.421 46.463 45.100 -0.096 0.000 0.767 627 G HN 0.354 nan 8.290 nan 0.000 0.571 628 D N 0.175 120.586 120.400 0.018 0.000 2.116 628 D HA -0.121 4.516 4.640 -0.005 0.000 0.193 628 D C 2.742 179.105 176.300 0.105 0.000 0.998 628 D CA 1.197 55.267 54.000 0.116 0.000 0.836 628 D CB -0.595 40.250 40.800 0.075 0.000 0.951 628 D HN 0.262 nan 8.370 nan 0.000 0.449 629 V N 0.774 120.682 119.914 -0.011 0.000 2.244 629 V HA -0.194 3.923 4.120 -0.005 0.000 0.244 629 V C 2.725 178.716 176.094 -0.172 0.000 1.042 629 V CA 1.133 63.357 62.300 -0.127 0.000 1.006 629 V CB -0.535 31.130 31.823 -0.264 0.000 0.641 629 V HN 0.040 nan 8.190 nan 0.000 0.446 630 V N 0.711 120.460 119.914 -0.274 0.000 2.343 630 V HA -0.174 3.943 4.120 -0.005 0.000 0.247 630 V C 1.783 177.752 176.094 -0.208 0.000 1.051 630 V CA 1.902 64.004 62.300 -0.330 0.000 1.036 630 V CB -0.815 30.814 31.823 -0.324 0.000 0.654 630 V HN 0.579 nan 8.190 nan 0.000 0.451 631 N N -0.580 117.926 118.700 -0.323 0.000 2.370 631 N HA 0.010 4.747 4.740 -0.005 0.000 0.198 631 N C 0.935 175.873 175.510 -0.955 0.000 1.156 631 N CA 0.432 53.194 53.050 -0.481 0.000 0.839 631 N CB -0.147 38.065 38.487 -0.459 0.000 0.989 631 N HN 0.689 nan 8.380 nan 0.000 0.468 632 H N -1.745 117.328 119.070 0.004 0.000 2.986 632 H HA 0.176 4.729 4.556 -0.005 0.000 0.267 632 H C -0.229 175.126 175.328 0.045 0.000 1.072 632 H CA -0.520 55.537 56.048 0.016 0.000 1.202 632 H CB 0.653 30.413 29.762 -0.003 0.000 1.535 632 H HN -0.023 nan 8.280 nan 0.000 0.522 633 D N 3.392 123.847 120.400 0.091 0.000 2.412 633 D HA -0.039 4.598 4.640 -0.005 0.000 0.257 633 D C -1.138 175.220 176.300 0.097 0.000 1.217 633 D CA -1.517 52.572 54.000 0.148 0.000 0.897 633 D CB 1.213 42.191 40.800 0.297 0.000 1.132 633 D HN 0.208 nan 8.370 nan 0.000 0.493 634 P HA -0.174 nan 4.420 nan 0.000 0.216 634 P C 1.587 178.913 177.300 0.044 0.000 1.153 634 P CA 0.594 63.728 63.100 0.056 0.000 0.858 634 P CB 0.282 32.011 31.700 0.048 0.000 0.789 635 V N -0.015 119.922 119.914 0.039 0.000 2.546 635 V HA -0.187 3.930 4.120 -0.005 0.000 0.254 635 V C 2.805 178.904 176.094 0.008 0.000 1.076 635 V CA 1.542 63.849 62.300 0.012 0.000 1.087 635 V CB -1.050 30.765 31.823 -0.014 0.000 0.674 635 V HN -0.026 nan 8.190 nan 0.000 0.470 636 V N -0.525 119.412 119.914 0.037 0.000 2.346 636 V HA 0.121 4.238 4.120 -0.005 0.000 0.244 636 V C 1.894 178.001 176.094 0.021 0.000 1.037 636 V CA 1.538 63.863 62.300 0.041 0.000 1.029 636 V CB -0.931 30.969 31.823 0.128 0.000 0.663 636 V HN 0.729 nan 8.190 nan 0.000 0.454 637 G N 1.629 110.448 108.800 0.031 0.000 2.611 637 G HA2 -0.398 3.559 3.960 -0.005 0.000 0.301 637 G HA3 -0.398 3.559 3.960 -0.005 0.000 0.301 637 G C 0.442 175.355 174.900 0.021 0.000 1.233 637 G CA 0.541 45.657 45.100 0.027 0.000 0.993 637 G HN 0.656 nan 8.290 nan 0.000 0.553 638 D N 0.736 121.151 120.400 0.024 0.000 2.358 638 D HA 0.145 4.782 4.640 -0.005 0.000 0.224 638 D C 1.933 178.230 176.300 -0.005 0.000 1.123 638 D CA 0.199 54.214 54.000 0.025 0.000 0.833 638 D CB -0.139 40.695 40.800 0.056 0.000 0.946 638 D HN 0.629 nan 8.370 nan 0.000 0.505 639 R N -0.564 119.922 120.500 -0.024 0.000 2.115 639 R HA 0.151 4.488 4.340 -0.005 0.000 0.226 639 R C 0.215 176.467 176.300 -0.080 0.000 1.100 639 R CA 0.486 56.545 56.100 -0.069 0.000 0.980 639 R CB 0.083 30.331 30.300 -0.086 0.000 0.875 639 R HN 0.120 nan 8.270 nan 0.000 0.445 640 L N 0.051 121.244 121.223 -0.050 0.000 2.505 640 L HA 0.419 4.756 4.340 -0.005 0.000 0.266 640 L C -1.578 175.257 176.870 -0.059 0.000 0.954 640 L CA -0.742 54.062 54.840 -0.060 0.000 0.852 640 L CB 2.022 44.059 42.059 -0.036 0.000 1.282 640 L HN -0.149 nan 8.230 nan 0.000 0.403 641 R N 3.353 123.802 120.500 -0.085 0.000 2.574 641 R HA 0.839 5.176 4.340 -0.005 0.000 0.288 641 R C -1.892 174.338 176.300 -0.118 0.000 1.004 641 R CA -0.585 55.454 56.100 -0.101 0.000 0.895 641 R CB 2.092 32.333 30.300 -0.098 0.000 1.191 641 R HN 0.469 nan 8.270 nan 0.000 0.444 642 V N 6.596 126.438 119.914 -0.120 0.000 2.357 642 V HA 0.498 4.615 4.120 -0.005 0.000 0.284 642 V C 0.012 176.050 176.094 -0.094 0.000 1.018 642 V CA -0.633 61.598 62.300 -0.114 0.000 0.841 642 V CB 1.087 32.837 31.823 -0.121 0.000 0.991 642 V HN 0.697 nan 8.190 nan 0.000 0.437 643 I N 1.279 121.794 120.570 -0.093 0.000 2.730 643 I HA 0.691 4.858 4.170 -0.005 0.000 0.298 643 I C -1.377 174.714 176.117 -0.045 0.000 1.089 643 I CA -0.864 60.399 61.300 -0.061 0.000 1.041 643 I CB 2.378 40.322 38.000 -0.093 0.000 1.235 643 I HN 0.462 nan 8.210 nan 0.000 0.423 644 F N 6.173 126.059 119.950 -0.107 0.000 2.404 644 F HA 0.597 5.122 4.527 -0.004 0.000 0.354 644 F C -0.860 174.883 175.800 -0.095 0.000 1.122 644 F CA -0.641 57.298 58.000 -0.101 0.000 1.080 644 F CB 1.116 40.058 39.000 -0.097 0.000 1.131 644 F HN 0.365 nan 8.300 nan 0.000 0.471 645 L N 5.981 126.672 121.223 -0.887 0.000 2.260 645 L HA 0.286 4.623 4.340 -0.005 0.000 0.289 645 L C 0.228 176.837 176.870 -0.435 0.000 1.057 645 L CA -0.459 54.070 54.840 -0.518 0.000 0.811 645 L CB 0.908 42.778 42.059 -0.315 0.000 1.184 645 L HN 0.624 nan 8.230 nan 0.000 0.429 646 E N 3.934 124.045 120.200 -0.147 0.000 2.376 646 E HA -0.086 4.261 4.350 -0.005 0.000 0.266 646 E C 0.293 176.979 176.600 0.143 0.000 1.009 646 E CA -0.215 56.239 56.400 0.090 0.000 0.902 646 E CB 0.337 30.067 29.700 0.050 0.000 0.972 646 E HN 0.584 nan 8.360 nan 0.000 0.439 647 N N 3.138 121.979 118.700 0.235 0.000 2.714 647 N HA -0.289 4.448 4.740 -0.005 0.000 0.253 647 N C -1.511 174.104 175.510 0.175 0.000 1.024 647 N CA 0.550 53.717 53.050 0.195 0.000 0.726 647 N CB -1.519 37.093 38.487 0.209 0.000 0.908 647 N HN 0.498 nan 8.380 nan 0.000 0.542 648 Y N 1.449 121.773 120.300 0.041 0.000 2.721 648 Y HA 0.102 4.649 4.550 -0.005 0.000 0.329 648 Y C 1.155 177.083 175.900 0.047 0.000 1.211 648 Y CA 0.578 58.687 58.100 0.016 0.000 1.512 648 Y CB 0.292 38.731 38.460 -0.036 0.000 1.249 648 Y HN 0.370 nan 8.280 nan 0.000 0.549 649 R N 2.718 122.911 120.500 -0.512 0.000 2.810 649 R HA 0.507 4.844 4.340 -0.005 0.000 0.266 649 R C -0.170 175.803 176.300 -0.544 0.000 1.061 649 R CA -0.621 55.220 56.100 -0.431 0.000 0.943 649 R CB 0.431 30.671 30.300 -0.100 0.000 1.237 649 R HN 0.382 nan 8.270 nan 0.000 0.459 650 V N 1.134 120.784 119.914 -0.440 0.000 2.250 650 V HA -0.329 3.788 4.120 -0.005 0.000 0.250 650 V C 2.593 178.570 176.094 -0.196 0.000 1.060 650 V CA 3.009 65.100 62.300 -0.348 0.000 1.030 650 V CB -0.850 30.756 31.823 -0.362 0.000 0.643 650 V HN 0.952 nan 8.190 nan 0.000 0.445 651 S N -0.224 115.384 115.700 -0.153 0.000 2.399 651 S HA -0.174 4.293 4.470 -0.005 0.000 0.231 651 S C 1.907 176.466 174.600 -0.068 0.000 1.022 651 S CA 1.672 59.810 58.200 -0.103 0.000 0.983 651 S CB -0.506 62.666 63.200 -0.047 0.000 0.803 651 S HN 0.389 nan 8.310 nan 0.000 0.480 652 L N 2.132 123.324 121.223 -0.052 0.000 2.072 652 L HA 0.306 4.643 4.340 -0.005 0.000 0.205 652 L C 2.715 179.614 176.870 0.048 0.000 1.079 652 L CA 1.456 56.318 54.840 0.037 0.000 0.752 652 L CB -1.428 40.720 42.059 0.147 0.000 0.906 652 L HN 0.336 nan 8.230 nan 0.000 0.436 653 A N -0.517 122.326 122.820 0.038 0.000 1.917 653 A HA -0.273 4.044 4.320 -0.005 0.000 0.219 653 A C 2.103 179.754 177.584 0.113 0.000 1.182 653 A CA 2.042 54.170 52.037 0.150 0.000 0.633 653 A CB -0.718 18.373 19.000 0.152 0.000 0.819 653 A HN 0.634 nan 8.150 nan 0.000 0.448 654 E N -0.471 119.777 120.200 0.079 0.000 2.333 654 E HA -0.165 4.182 4.350 -0.005 0.000 0.198 654 E C 1.831 178.396 176.600 -0.059 0.000 1.007 654 E CA 1.138 57.537 56.400 -0.002 0.000 0.845 654 E CB -0.072 29.543 29.700 -0.140 0.000 0.766 654 E HN 0.660 nan 8.360 nan 0.000 0.507 655 K N 0.173 120.519 120.400 -0.089 0.000 2.141 655 K HA 0.028 4.345 4.320 -0.005 0.000 0.202 655 K C 2.142 178.557 176.600 -0.309 0.000 1.045 655 K CA 0.440 56.658 56.287 -0.115 0.000 0.971 655 K CB -0.031 32.406 32.500 -0.105 0.000 0.795 655 K HN -0.056 nan 8.250 nan 0.000 0.459 656 V N 1.890 121.512 119.914 -0.488 0.000 2.871 656 V HA -0.097 4.020 4.120 -0.005 0.000 0.256 656 V C 1.730 177.516 176.094 -0.513 0.000 1.082 656 V CA 1.152 62.876 62.300 -0.961 0.000 1.105 656 V CB -0.219 31.047 31.823 -0.928 0.000 0.713 656 V HN 0.235 nan 8.190 nan 0.000 0.473 657 I N 0.581 120.921 120.570 -0.385 0.000 2.235 657 I HA -0.041 4.127 4.170 -0.005 0.000 0.241 657 I C -0.174 175.782 176.117 -0.268 0.000 1.085 657 I CA 1.145 62.142 61.300 -0.505 0.000 1.378 657 I CB -1.500 36.056 38.000 -0.740 0.000 1.076 657 I HN 0.323 nan 8.210 nan 0.000 0.415 658 P HA -0.190 nan 4.420 nan 0.000 0.218 658 P C 0.946 178.228 177.300 -0.029 0.000 1.146 658 P CA 1.477 64.539 63.100 -0.063 0.000 0.813 658 P CB -0.048 31.630 31.700 -0.037 0.000 0.778 659 A N -1.531 121.263 122.820 -0.044 0.000 2.251 659 A HA 0.467 4.784 4.320 -0.005 0.000 0.209 659 A C 1.093 178.771 177.584 0.157 0.000 1.187 659 A CA 0.137 52.212 52.037 0.063 0.000 0.823 659 A CB -0.694 18.408 19.000 0.170 0.000 0.846 659 A HN 0.209 nan 8.150 nan 0.000 0.486 660 A N -0.143 122.750 122.820 0.122 0.000 2.309 660 A HA 0.514 4.831 4.320 -0.005 0.000 0.298 660 A C 0.306 178.041 177.584 0.253 0.000 1.165 660 A CA -0.387 51.801 52.037 0.252 0.000 0.821 660 A CB 0.442 19.678 19.000 0.394 0.000 1.102 660 A HN 0.243 nan 8.150 nan 0.000 0.500 661 D N 0.612 121.171 120.400 0.264 0.000 2.197 661 D HA 0.071 4.708 4.640 -0.005 0.000 0.212 661 D C -0.056 176.497 176.300 0.423 0.000 0.963 661 D CA 1.095 55.314 54.000 0.364 0.000 0.864 661 D CB 0.119 41.037 40.800 0.197 0.000 1.009 661 D HN 0.357 nan 8.370 nan 0.000 0.479 662 L N 0.301 121.658 121.223 0.224 0.000 2.356 662 L HA 0.359 4.696 4.340 -0.005 0.000 0.277 662 L C -0.723 176.089 176.870 -0.096 0.000 0.996 662 L CA -0.534 54.362 54.840 0.093 0.000 0.822 662 L CB 2.157 44.235 42.059 0.031 0.000 1.256 662 L HN -0.302 nan 8.230 nan 0.000 0.413 663 S N 3.882 119.422 115.700 -0.267 0.000 2.422 663 S HA 0.436 4.903 4.470 -0.005 0.000 0.298 663 S C -0.585 173.726 174.600 -0.482 0.000 1.118 663 S CA -0.632 57.135 58.200 -0.722 0.000 1.083 663 S CB 0.261 62.943 63.200 -0.863 0.000 0.971 663 S HN 0.609 nan 8.310 nan 0.000 0.478 664 E N 3.766 123.683 120.200 -0.470 0.000 2.167 664 E HA 0.234 4.581 4.350 -0.005 0.000 0.284 664 E C -0.524 175.965 176.600 -0.185 0.000 1.016 664 E CA -0.385 55.889 56.400 -0.211 0.000 0.817 664 E CB 1.097 30.712 29.700 -0.143 0.000 1.080 664 E HN 0.594 nan 8.360 nan 0.000 0.397 665 Q N 2.854 122.618 119.800 -0.060 0.000 3.300 665 Q HA 0.242 4.579 4.340 -0.005 0.000 0.271 665 Q C 0.644 176.656 176.000 0.020 0.000 0.926 665 Q CA -0.071 55.708 55.803 -0.040 0.000 0.788 665 Q CB 0.174 28.887 28.738 -0.042 0.000 1.385 665 Q HN 0.643 nan 8.270 nan 0.000 0.424 666 I N -2.064 118.510 120.570 0.007 0.000 3.927 666 I HA 0.254 4.421 4.170 -0.005 0.000 0.332 666 I C 0.488 176.586 176.117 -0.031 0.000 1.485 666 I CA -0.539 60.787 61.300 0.044 0.000 1.131 666 I CB 0.594 38.618 38.000 0.041 0.000 1.092 666 I HN 0.026 nan 8.210 nan 0.000 0.410 667 S N 0.787 116.463 115.700 -0.039 0.000 2.579 667 S HA 0.233 4.700 4.470 -0.005 0.000 0.275 667 S C 0.604 175.203 174.600 -0.000 0.000 1.345 667 S CA -0.314 57.884 58.200 -0.002 0.000 1.031 667 S CB 0.341 63.587 63.200 0.077 0.000 0.892 667 S HN 0.360 nan 8.310 nan 0.000 0.529 668 T N 2.490 117.076 114.554 0.054 0.000 2.939 668 T HA 0.343 4.690 4.350 -0.005 0.000 0.319 668 T C 0.729 175.425 174.700 -0.007 0.000 1.082 668 T CA 0.376 62.494 62.100 0.030 0.000 1.133 668 T CB -0.112 68.834 68.868 0.131 0.000 1.019 668 T HN 1.050 nan 8.240 nan 0.000 0.548 669 A N 1.535 124.323 122.820 -0.055 0.000 2.462 669 A HA 0.529 4.846 4.320 -0.005 0.000 0.243 669 A C 1.617 179.182 177.584 -0.031 0.000 1.076 669 A CA 0.094 52.097 52.037 -0.057 0.000 0.773 669 A CB -0.734 18.218 19.000 -0.080 0.000 1.010 669 A HN 1.797 nan 8.150 nan 0.000 0.493 670 G N 0.981 109.760 108.800 -0.035 0.000 2.159 670 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.256 670 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.256 670 G C 0.774 175.646 174.900 -0.048 0.000 0.977 670 G CA 1.488 46.568 45.100 -0.032 0.000 0.652 670 G HN 1.943 nan 8.290 nan 0.000 0.531 671 T N -2.910 111.608 114.554 -0.060 0.000 3.018 671 T HA 0.401 4.748 4.350 -0.005 0.000 0.246 671 T C 0.758 175.234 174.700 -0.373 0.000 1.026 671 T CA 0.916 62.897 62.100 -0.198 0.000 1.081 671 T CB 0.551 69.356 68.868 -0.105 0.000 0.970 671 T HN 0.231 nan 8.240 nan 0.000 0.475 672 E N 1.808 121.936 120.200 -0.121 0.000 1.941 672 E HA 0.643 4.990 4.350 -0.005 0.000 0.275 672 E C 1.297 177.830 176.600 -0.112 0.000 1.113 672 E CA 0.058 56.438 56.400 -0.033 0.000 0.878 672 E CB 0.433 30.196 29.700 0.105 0.000 1.070 672 E HN 0.377 nan 8.360 nan 0.000 0.399 673 A N 3.198 125.879 122.820 -0.232 0.000 1.985 673 A HA -0.289 4.028 4.320 -0.005 0.000 0.223 673 A C 1.918 179.399 177.584 -0.171 0.000 1.189 673 A CA 2.446 54.252 52.037 -0.386 0.000 0.658 673 A CB -0.203 18.333 19.000 -0.774 0.000 0.820 673 A HN 0.613 nan 8.150 nan 0.000 0.464 674 S N -4.468 111.174 115.700 -0.098 0.000 5.689 674 S HA 0.459 4.926 4.470 -0.005 0.000 0.127 674 S C 0.634 175.217 174.600 -0.029 0.000 1.086 674 S CA 1.312 59.493 58.200 -0.031 0.000 1.406 674 S CB -0.171 63.035 63.200 0.009 0.000 2.070 674 S HN 2.369 nan 8.310 nan 0.000 0.631 675 G N 0.132 108.923 108.800 -0.016 0.000 2.692 675 G HA2 0.084 4.041 3.960 -0.005 0.000 0.686 675 G HA3 0.084 4.041 3.960 -0.005 0.000 0.686 675 G C 0.233 175.109 174.900 -0.039 0.000 1.243 675 G CA 0.429 45.517 45.100 -0.020 0.000 0.782 675 G HN 1.561 nan 8.290 nan 0.000 0.625 676 T N -2.636 111.883 114.554 -0.058 0.000 3.074 676 T HA 0.373 4.720 4.350 -0.005 0.000 0.258 676 T C 2.328 176.927 174.700 -0.168 0.000 0.891 676 T CA 1.309 63.345 62.100 -0.106 0.000 0.867 676 T CB 0.223 69.019 68.868 -0.121 0.000 1.261 676 T HN 1.949 nan 8.240 nan 0.000 0.537 677 G N 3.406 112.134 108.800 -0.121 0.000 2.442 677 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.219 677 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.219 677 G C 1.553 176.519 174.900 0.109 0.000 1.141 677 G CA 1.383 46.451 45.100 -0.053 0.000 0.763 677 G HN 0.693 nan 8.290 nan 0.000 0.554 678 N N 1.107 119.827 118.700 0.033 0.000 2.036 678 N HA -0.214 4.523 4.740 -0.005 0.000 0.199 678 N C 1.476 176.997 175.510 0.018 0.000 1.036 678 N CA 1.305 54.363 53.050 0.013 0.000 0.870 678 N CB -0.844 37.609 38.487 -0.055 0.000 1.055 678 N HN 0.399 nan 8.380 nan 0.000 0.436 682 M N 0.453 120.139 119.600 0.144 0.000 2.151 682 M HA -0.277 4.200 4.480 -0.005 0.000 0.256 682 M C 2.177 178.529 176.300 0.086 0.000 1.072 682 M CA 2.242 57.595 55.300 0.087 0.000 1.090 682 M CB -0.356 32.300 32.600 0.093 0.000 1.294 682 M HN 0.341 nan 8.290 nan 0.000 0.415 683 L N 0.867 122.146 121.223 0.093 0.000 2.129 683 L HA -0.215 4.122 4.340 -0.005 0.000 0.212 683 L C 1.484 178.399 176.870 0.075 0.000 1.087 683 L CA 1.887 56.786 54.840 0.099 0.000 0.757 683 L CB -0.721 41.404 42.059 0.111 0.000 0.896 683 L HN 0.403 nan 8.230 nan 0.000 0.434 684 N N -0.529 118.204 118.700 0.055 0.000 2.214 684 N HA 0.199 4.936 4.740 -0.005 0.000 0.214 684 N C 0.689 176.224 175.510 0.042 0.000 1.132 684 N CA 0.803 53.875 53.050 0.036 0.000 0.856 684 N CB 0.618 39.105 38.487 0.000 0.000 1.020 684 N HN 0.401 nan 8.380 nan 0.000 0.509 685 G N 0.697 109.529 108.800 0.052 0.000 2.270 685 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.224 685 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.224 685 G C -0.279 174.679 174.900 0.098 0.000 1.079 685 G CA 0.001 45.130 45.100 0.048 0.000 0.807 685 G HN 0.471 nan 8.290 nan 0.000 0.492 686 A N 0.224 123.104 122.820 0.101 0.000 2.342 686 A HA 0.856 5.173 4.320 -0.005 0.000 0.323 686 A C 0.392 177.971 177.584 -0.010 0.000 1.125 686 A CA -0.680 51.443 52.037 0.144 0.000 0.785 686 A CB 1.095 20.270 19.000 0.291 0.000 1.221 686 A HN 0.783 nan 8.150 nan 0.000 0.463 687 L N 1.507 122.690 121.223 -0.067 0.000 2.417 687 L HA 0.316 4.654 4.340 -0.005 0.000 0.268 687 L C 0.299 177.036 176.870 -0.220 0.000 1.158 687 L CA 0.006 54.681 54.840 -0.274 0.000 0.819 687 L CB 1.055 42.822 42.059 -0.486 0.000 1.112 687 L HN 0.695 nan 8.230 nan 0.000 0.458 688 T N 3.747 118.061 114.554 -0.400 0.000 2.771 688 T HA 0.431 4.778 4.350 -0.005 0.000 0.281 688 T C -0.200 174.501 174.700 0.002 0.000 0.982 688 T CA -0.304 61.634 62.100 -0.269 0.000 0.978 688 T CB 1.496 70.114 68.868 -0.418 0.000 0.930 688 T HN 0.345 nan 8.240 nan 0.000 0.447 689 I N 2.933 123.542 120.570 0.065 0.000 2.353 689 I HA 0.683 4.850 4.170 -0.005 0.000 0.293 689 I C 0.361 176.646 176.117 0.281 0.000 0.992 689 I CA 0.257 61.696 61.300 0.232 0.000 1.268 689 I CB 0.439 38.488 38.000 0.082 0.000 1.387 689 I HN 0.780 nan 8.210 nan 0.000 0.478 690 G N 3.864 112.905 108.800 0.401 0.000 2.600 690 G HA2 0.431 4.388 3.960 -0.005 0.000 0.293 690 G HA3 0.431 4.388 3.960 -0.005 0.000 0.293 690 G C -0.918 173.931 174.900 -0.086 0.000 1.408 690 G CA -0.361 44.886 45.100 0.246 0.000 0.782 690 G HN 0.596 nan 8.290 nan 0.000 0.482 691 T N -1.372 112.978 114.554 -0.339 0.000 2.849 691 T HA 0.480 4.827 4.350 -0.005 0.000 0.284 691 T C 0.795 175.383 174.700 -0.188 0.000 1.004 691 T CA -0.626 61.223 62.100 -0.417 0.000 1.021 691 T CB 0.998 69.631 68.868 -0.391 0.000 1.013 691 T HN 0.283 nan 8.240 nan 0.000 0.527 692 M N 3.078 122.573 119.600 -0.175 0.000 3.070 692 M HA 0.289 4.766 4.480 -0.005 0.000 0.275 692 M C -0.361 175.875 176.300 -0.108 0.000 1.510 692 M CA 0.236 55.460 55.300 -0.127 0.000 1.608 692 M CB -1.908 30.624 32.600 -0.113 0.000 1.266 692 M HN 0.768 nan 8.290 nan 0.000 0.514 693 D N 0.128 120.471 120.400 -0.095 0.000 2.581 693 D HA 0.681 5.318 4.640 -0.005 0.000 0.232 693 D C 0.756 177.022 176.300 -0.056 0.000 1.143 693 D CA 0.800 54.759 54.000 -0.070 0.000 0.881 693 D CB 1.630 42.391 40.800 -0.065 0.000 1.500 693 D HN 0.580 nan 8.370 nan 0.000 0.458 694 G N 1.474 110.250 108.800 -0.040 0.000 2.685 694 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.329 694 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.329 694 G C 0.864 175.743 174.900 -0.034 0.000 1.271 694 G CA 1.356 46.437 45.100 -0.032 0.000 1.003 694 G HN 1.172 nan 8.290 nan 0.000 0.549 695 A N -0.182 122.606 122.820 -0.053 0.000 2.348 695 A HA 0.364 4.681 4.320 -0.005 0.000 0.224 695 A C 1.906 179.385 177.584 -0.176 0.000 1.227 695 A CA 1.241 53.231 52.037 -0.079 0.000 0.885 695 A CB -0.130 18.819 19.000 -0.085 0.000 0.933 695 A HN 0.527 nan 8.150 nan 0.000 0.506 696 N N 0.882 119.498 118.700 -0.140 0.000 2.061 696 N HA -0.173 4.564 4.740 -0.005 0.000 0.193 696 N C 1.688 177.057 175.510 -0.235 0.000 1.030 696 N CA 1.792 54.758 53.050 -0.139 0.000 0.856 696 N CB -0.647 37.802 38.487 -0.064 0.000 1.023 696 N HN 0.266 nan 8.380 nan 0.000 0.424 697 V N 1.276 121.090 119.914 -0.167 0.000 2.282 697 V HA -0.246 3.871 4.120 -0.005 0.000 0.249 697 V C 2.029 178.030 176.094 -0.154 0.000 1.057 697 V CA 1.844 64.049 62.300 -0.159 0.000 1.032 697 V CB -0.592 31.175 31.823 -0.095 0.000 0.645 697 V HN 0.364 nan 8.190 nan 0.000 0.447 698 E N -0.571 119.581 120.200 -0.081 0.000 2.112 698 E HA -0.125 4.222 4.350 -0.005 0.000 0.190 698 E C 2.233 178.877 176.600 0.074 0.000 0.979 698 E CA 1.079 57.506 56.400 0.044 0.000 0.814 698 E CB -0.221 29.598 29.700 0.198 0.000 0.762 698 E HN 0.546 nan 8.360 nan 0.000 0.460 699 M N 0.780 120.299 119.600 -0.135 0.000 2.073 699 M HA -0.226 4.251 4.480 -0.005 0.000 0.258 699 M C 2.568 178.524 176.300 -0.573 0.000 1.070 699 M CA 1.772 56.926 55.300 -0.242 0.000 1.103 699 M CB -0.428 31.974 32.600 -0.330 0.000 1.321 699 M HN 0.152 nan 8.290 nan 0.000 0.405 700 A N 0.039 122.166 122.820 -1.156 0.000 1.892 700 A HA -0.278 4.039 4.320 -0.005 0.000 0.218 700 A C 2.015 179.374 177.584 -0.375 0.000 1.188 700 A CA 2.262 53.680 52.037 -1.032 0.000 0.631 700 A CB -1.063 17.470 19.000 -0.779 0.000 0.822 700 A HN 0.613 nan 8.150 nan 0.000 0.447 701 E N -0.660 119.404 120.200 -0.226 0.000 2.114 701 E HA -0.261 4.086 4.350 -0.005 0.000 0.199 701 E C 1.872 178.444 176.600 -0.047 0.000 1.008 701 E CA 1.579 57.917 56.400 -0.103 0.000 0.810 701 E CB -0.078 29.586 29.700 -0.060 0.000 0.739 701 E HN 0.620 nan 8.360 nan 0.000 0.456 702 E N -0.507 119.696 120.200 0.004 0.000 2.107 702 E HA -0.101 4.246 4.350 -0.005 0.000 0.191 702 E C 1.743 178.379 176.600 0.060 0.000 0.982 702 E CA 0.980 57.418 56.400 0.062 0.000 0.809 702 E CB -0.011 29.789 29.700 0.167 0.000 0.756 702 E HN 0.345 nan 8.360 nan 0.000 0.459 703 A N 0.463 123.321 122.820 0.064 0.000 2.132 703 A HA 0.359 4.676 4.320 -0.005 0.000 0.213 703 A C 1.059 178.677 177.584 0.057 0.000 1.154 703 A CA 0.934 53.041 52.037 0.116 0.000 0.753 703 A CB 0.036 19.226 19.000 0.315 0.000 0.826 703 A HN 0.216 nan 8.150 nan 0.000 0.469 704 G N -0.245 108.557 108.800 0.003 0.000 3.172 704 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.686 704 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.686 704 G C 0.028 174.920 174.900 -0.014 0.000 1.009 704 G CA 0.049 45.139 45.100 -0.017 0.000 0.787 704 G HN 0.324 nan 8.290 nan 0.000 0.559 705 E N 0.633 120.799 120.200 -0.056 0.000 2.273 705 E HA -0.212 4.135 4.350 -0.005 0.000 0.198 705 E C 2.341 178.923 176.600 -0.031 0.000 1.002 705 E CA 1.329 57.699 56.400 -0.052 0.000 0.828 705 E CB 0.105 29.767 29.700 -0.065 0.000 0.747 705 E HN 0.789 nan 8.360 nan 0.000 0.491 706 E N 0.819 120.991 120.200 -0.046 0.000 2.409 706 E HA -0.163 4.184 4.350 -0.005 0.000 0.198 706 E C 0.888 177.408 176.600 -0.134 0.000 1.024 706 E CA 0.746 57.094 56.400 -0.086 0.000 0.861 706 E CB -0.100 29.563 29.700 -0.061 0.000 0.788 706 E HN 0.230 nan 8.360 nan 0.000 0.521 707 N N -0.246 118.417 118.700 -0.061 0.000 2.280 707 N HA 0.116 4.853 4.740 -0.005 0.000 0.192 707 N C -0.681 174.752 175.510 -0.129 0.000 1.109 707 N CA 0.158 53.153 53.050 -0.092 0.000 0.855 707 N CB 0.166 38.647 38.487 -0.009 0.000 0.974 707 N HN 0.046 nan 8.380 nan 0.000 0.482 708 F N -0.564 119.188 119.950 -0.331 0.000 2.598 708 F HA 0.415 4.939 4.527 -0.006 0.000 0.327 708 F C -0.123 175.358 175.800 -0.531 0.000 1.057 708 F CA -1.198 56.622 58.000 -0.301 0.000 0.957 708 F CB 0.948 39.866 39.000 -0.137 0.000 1.278 708 F HN -0.235 nan 8.300 nan 0.000 0.484 709 F N 3.656 123.651 119.950 0.074 0.000 2.441 709 F HA 0.323 4.847 4.527 -0.005 0.000 0.337 709 F C -0.172 175.780 175.800 0.253 0.000 1.182 709 F CA -0.550 57.523 58.000 0.121 0.000 1.279 709 F CB -0.412 38.604 39.000 0.026 0.000 1.614 709 F HN -0.050 nan 8.300 nan 0.000 0.574 710 I N 3.362 124.118 120.570 0.311 0.000 2.496 710 I HA 0.144 4.311 4.170 -0.005 0.000 0.285 710 I C 0.071 176.348 176.117 0.266 0.000 1.080 710 I CA -0.321 61.104 61.300 0.207 0.000 1.404 710 I CB -0.504 37.534 38.000 0.063 0.000 1.403 710 I HN 0.292 nan 8.210 nan 0.000 0.539 711 F N 3.097 123.106 119.950 0.098 0.000 2.675 711 F HA 0.888 5.412 4.527 -0.005 0.000 0.324 711 F C 0.441 176.277 175.800 0.061 0.000 1.106 711 F CA -0.430 57.621 58.000 0.086 0.000 0.970 711 F CB 0.805 39.873 39.000 0.112 0.000 1.385 711 F HN 0.777 nan 8.300 nan 0.000 0.489 712 G N 0.927 109.803 108.800 0.128 0.000 2.641 712 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.254 712 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.254 712 G C -0.572 174.291 174.900 -0.062 0.000 1.315 712 G CA -0.271 44.852 45.100 0.038 0.000 0.907 712 G HN 0.959 nan 8.290 nan 0.000 0.572 713 M N 0.601 120.170 119.600 -0.052 0.000 2.269 713 M HA 0.226 4.703 4.480 -0.005 0.000 0.350 713 M C 1.079 177.330 176.300 -0.082 0.000 1.429 713 M CA 0.053 55.327 55.300 -0.042 0.000 1.063 713 M CB 0.407 32.984 32.600 -0.038 0.000 1.841 713 M HN 0.504 nan 8.290 nan 0.000 0.455 714 R N 1.780 122.245 120.500 -0.058 0.000 2.738 714 R HA 0.132 4.469 4.340 -0.005 0.000 0.275 714 R C 1.186 177.456 176.300 -0.049 0.000 1.121 714 R CA -0.421 55.642 56.100 -0.061 0.000 1.207 714 R CB 0.015 30.289 30.300 -0.044 0.000 1.141 714 R HN 0.567 nan 8.270 nan 0.000 0.571 715 V N 1.486 121.370 119.914 -0.049 0.000 2.392 715 V HA -0.272 3.845 4.120 -0.005 0.000 0.249 715 V C 2.032 178.107 176.094 -0.032 0.000 1.059 715 V CA 2.380 64.655 62.300 -0.042 0.000 1.051 715 V CB -0.735 31.063 31.823 -0.041 0.000 0.658 715 V HN 0.844 nan 8.190 nan 0.000 0.455 716 E N -0.095 120.089 120.200 -0.026 0.000 2.153 716 E HA -0.250 4.097 4.350 -0.005 0.000 0.194 716 E C 1.396 177.992 176.600 -0.007 0.000 0.988 716 E CA 1.626 58.017 56.400 -0.016 0.000 0.811 716 E CB -0.351 29.340 29.700 -0.015 0.000 0.746 716 E HN 0.586 nan 8.360 nan 0.000 0.466 717 D N 0.952 121.348 120.400 -0.008 0.000 2.289 717 D HA -0.031 4.606 4.640 -0.005 0.000 0.207 717 D C 2.151 178.454 176.300 0.004 0.000 0.966 717 D CA 0.509 54.514 54.000 0.007 0.000 0.868 717 D CB 0.285 41.092 40.800 0.013 0.000 0.943 717 D HN 0.119 nan 8.370 nan 0.000 0.514 718 V N 1.942 121.844 119.914 -0.019 0.000 2.295 718 V HA -0.209 3.908 4.120 -0.005 0.000 0.246 718 V C 1.932 178.012 176.094 -0.022 0.000 1.049 718 V CA 1.681 63.959 62.300 -0.037 0.000 1.024 718 V CB -0.342 31.450 31.823 -0.052 0.000 0.648 718 V HN 0.056 nan 8.190 nan 0.000 0.447 719 D N -0.182 120.208 120.400 -0.016 0.000 2.117 719 D HA -0.154 4.483 4.640 -0.005 0.000 0.197 719 D C 2.382 178.686 176.300 0.007 0.000 0.987 719 D CA 1.195 55.190 54.000 -0.009 0.000 0.829 719 D CB -0.262 40.530 40.800 -0.013 0.000 0.961 719 D HN 0.376 nan 8.370 nan 0.000 0.460 720 R N 0.186 120.694 120.500 0.015 0.000 2.073 720 R HA -0.011 4.326 4.340 -0.005 0.000 0.234 720 R C 2.597 178.926 176.300 0.049 0.000 1.134 720 R CA 0.426 56.544 56.100 0.029 0.000 0.952 720 R CB -0.474 29.846 30.300 0.033 0.000 0.850 720 R HN 0.189 nan 8.270 nan 0.000 0.433 721 L N 0.932 122.190 121.223 0.058 0.000 2.043 721 L HA -0.264 4.073 4.340 -0.005 0.000 0.212 721 L C 1.704 178.631 176.870 0.096 0.000 1.075 721 L CA 1.388 56.288 54.840 0.099 0.000 0.752 721 L CB -0.351 41.773 42.059 0.109 0.000 0.891 721 L HN 0.251 nan 8.230 nan 0.000 0.432 722 D N -0.739 119.691 120.400 0.050 0.000 2.117 722 D HA -0.198 4.439 4.640 -0.005 0.000 0.198 722 D C 2.205 178.530 176.300 0.042 0.000 0.982 722 D CA 1.052 55.076 54.000 0.041 0.000 0.828 722 D CB -0.136 40.667 40.800 0.005 0.000 0.967 722 D HN 0.403 nan 8.370 nan 0.000 0.464 723 Q N 0.101 119.922 119.800 0.034 0.000 2.112 723 Q HA -0.194 4.143 4.340 -0.005 0.000 0.206 723 Q C 2.178 178.201 176.000 0.039 0.000 0.987 723 Q CA 1.751 57.572 55.803 0.031 0.000 0.858 723 Q CB -0.058 28.696 28.738 0.025 0.000 0.905 723 Q HN 0.370 nan 8.270 nan 0.000 0.420 724 R N -1.060 119.472 120.500 0.052 0.000 2.223 724 R HA 0.264 4.601 4.340 -0.005 0.000 0.198 724 R C 0.155 176.491 176.300 0.060 0.000 0.984 724 R CA 0.674 56.805 56.100 0.052 0.000 1.018 724 R CB 0.512 30.845 30.300 0.055 0.000 0.945 724 R HN 0.079 nan 8.270 nan 0.000 0.479 725 G N 0.815 109.665 108.800 0.083 0.000 3.326 725 G HA2 -0.183 3.774 3.960 -0.005 0.000 0.681 725 G HA3 -0.183 3.774 3.960 -0.005 0.000 0.681 725 G C -1.715 173.281 174.900 0.161 0.000 1.255 725 G CA -0.655 44.504 45.100 0.098 0.000 0.976 725 G HN 0.242 nan 8.290 nan 0.000 0.563 726 Y N 3.127 123.451 120.300 0.040 0.000 2.436 726 Y HA 0.586 5.133 4.550 -0.005 0.000 0.343 726 Y C 0.291 176.231 175.900 0.067 0.000 1.008 726 Y CA -1.299 56.837 58.100 0.060 0.000 1.241 726 Y CB 1.145 39.611 38.460 0.009 0.000 1.153 726 Y HN 0.545 nan 8.280 nan 0.000 0.521 727 N N 4.814 123.293 118.700 -0.367 0.000 2.707 727 N HA 0.313 5.050 4.740 -0.005 0.000 0.235 727 N C 0.362 175.680 175.510 -0.320 0.000 1.028 727 N CA 0.302 53.164 53.050 -0.315 0.000 0.906 727 N CB 0.953 39.386 38.487 -0.090 0.000 1.131 727 N HN 0.764 nan 8.380 nan 0.000 0.509 728 A N 2.435 124.900 122.820 -0.591 0.000 2.070 728 A HA -0.171 4.146 4.320 -0.005 0.000 0.220 728 A C 1.878 179.603 177.584 0.235 0.000 1.159 728 A CA 1.212 53.115 52.037 -0.224 0.000 0.656 728 A CB -0.274 18.424 19.000 -0.504 0.000 0.800 728 A HN 0.653 nan 8.150 nan 0.000 0.453 729 Q N 0.272 120.112 119.800 0.065 0.000 2.170 729 Q HA -0.198 4.139 4.340 -0.005 0.000 0.203 729 Q C 1.871 177.973 176.000 0.171 0.000 0.976 729 Q CA 2.071 57.950 55.803 0.126 0.000 0.858 729 Q CB -0.333 28.418 28.738 0.022 0.000 0.907 729 Q HN 0.779 nan 8.270 nan 0.000 0.433 730 E N -1.274 118.972 120.200 0.077 0.000 2.070 730 E HA -0.255 4.092 4.350 -0.005 0.000 0.197 730 E C 1.558 178.085 176.600 -0.122 0.000 1.004 730 E CA 1.595 57.953 56.400 -0.069 0.000 0.805 730 E CB -0.238 29.341 29.700 -0.202 0.000 0.744 730 E HN 0.560 nan 8.360 nan 0.000 0.451 731 Y N -0.888 119.505 120.300 0.156 0.000 2.114 731 Y HA -0.243 4.304 4.550 -0.005 0.000 0.284 731 Y C 2.332 178.262 175.900 0.051 0.000 1.143 731 Y CA 1.711 59.907 58.100 0.160 0.000 1.135 731 Y CB -0.945 37.699 38.460 0.306 0.000 0.980 731 Y HN 0.227 nan 8.280 nan 0.000 0.499 732 Y N 1.399 121.778 120.300 0.132 0.000 2.081 732 Y HA -0.333 4.214 4.550 -0.005 0.000 0.280 732 Y C 2.045 177.929 175.900 -0.027 0.000 1.163 732 Y CA 2.064 60.145 58.100 -0.032 0.000 1.135 732 Y CB -0.462 38.035 38.460 0.063 0.000 0.970 732 Y HN 0.117 nan 8.280 nan 0.000 0.498 733 D N -0.351 120.127 120.400 0.130 0.000 2.144 733 D HA -0.132 4.505 4.640 -0.005 0.000 0.199 733 D C 2.090 178.355 176.300 -0.059 0.000 0.984 733 D CA 1.379 55.402 54.000 0.038 0.000 0.834 733 D CB -0.266 40.595 40.800 0.101 0.000 0.955 733 D HN 0.441 nan 8.370 nan 0.000 0.465 734 R N -0.284 120.185 120.500 -0.051 0.000 2.276 734 R HA 0.194 4.531 4.340 -0.005 0.000 0.203 734 R C 0.306 176.574 176.300 -0.052 0.000 1.017 734 R CA 0.356 56.425 56.100 -0.051 0.000 1.010 734 R CB 0.516 30.782 30.300 -0.057 0.000 0.900 734 R HN 0.167 nan 8.270 nan 0.000 0.469 735 I N 0.640 121.149 120.570 -0.102 0.000 2.493 735 I HA 0.205 4.372 4.170 -0.005 0.000 0.279 735 I C -2.086 173.929 176.117 -0.171 0.000 1.045 735 I CA -2.235 59.016 61.300 -0.081 0.000 1.106 735 I CB 2.484 40.468 38.000 -0.027 0.000 1.216 735 I HN -0.290 nan 8.210 nan 0.000 0.459 736 P HA -0.132 nan 4.420 nan 0.000 0.219 736 P C 1.106 178.320 177.300 -0.143 0.000 1.146 736 P CA 1.277 64.286 63.100 -0.153 0.000 0.808 736 P CB 0.320 31.964 31.700 -0.093 0.000 0.779 737 E N -1.188 118.967 120.200 -0.075 0.000 2.208 737 E HA -0.118 4.229 4.350 -0.005 0.000 0.193 737 E C 1.703 178.240 176.600 -0.106 0.000 0.988 737 E CA 0.495 56.876 56.400 -0.033 0.000 0.828 737 E CB -0.399 29.352 29.700 0.085 0.000 0.763 737 E HN 0.150 nan 8.360 nan 0.000 0.478 738 L N 0.652 121.711 121.223 -0.273 0.000 2.162 738 L HA 0.019 4.356 4.340 -0.005 0.000 0.205 738 L C 2.215 178.810 176.870 -0.459 0.000 1.086 738 L CA 1.422 55.920 54.840 -0.570 0.000 0.778 738 L CB -0.196 41.343 42.059 -0.868 0.000 0.928 738 L HN -0.163 nan 8.230 nan 0.000 0.446 739 R N -0.626 119.580 120.500 -0.491 0.000 2.105 739 R HA -0.239 4.098 4.340 -0.005 0.000 0.239 739 R C 2.422 178.585 176.300 -0.228 0.000 1.135 739 R CA 1.991 57.746 56.100 -0.575 0.000 0.967 739 R CB -0.323 29.545 30.300 -0.720 0.000 0.861 739 R HN 0.606 nan 8.270 nan 0.000 0.442 740 Q N 0.126 119.819 119.800 -0.179 0.000 2.135 740 Q HA -0.180 4.158 4.340 -0.005 0.000 0.204 740 Q C 1.925 177.896 176.000 -0.047 0.000 0.981 740 Q CA 1.757 57.501 55.803 -0.099 0.000 0.856 740 Q CB -0.006 28.677 28.738 -0.092 0.000 0.902 740 Q HN 0.460 nan 8.270 nan 0.000 0.425 741 I N 0.226 120.771 120.570 -0.042 0.000 2.333 741 I HA -0.237 3.930 4.170 -0.005 0.000 0.246 741 I C 1.972 178.143 176.117 0.091 0.000 1.106 741 I CA 0.306 61.631 61.300 0.042 0.000 1.411 741 I CB -0.182 37.818 38.000 0.000 0.000 1.082 741 I HN 0.227 nan 8.210 nan 0.000 0.420 742 I N 0.797 121.400 120.570 0.055 0.000 2.208 742 I HA -0.249 3.918 4.170 -0.005 0.000 0.245 742 I C 2.552 178.770 176.117 0.169 0.000 1.097 742 I CA 1.591 62.979 61.300 0.146 0.000 1.363 742 I CB -1.438 36.714 38.000 0.252 0.000 1.051 742 I HN 0.289 nan 8.210 nan 0.000 0.413 743 E N 0.725 121.007 120.200 0.138 0.000 2.110 743 E HA -0.207 4.140 4.350 -0.005 0.000 0.193 743 E C 2.149 178.818 176.600 0.115 0.000 0.988 743 E CA 0.883 57.355 56.400 0.120 0.000 0.804 743 E CB -0.357 29.395 29.700 0.086 0.000 0.745 743 E HN 0.593 nan 8.360 nan 0.000 0.458 744 Q N 0.423 120.285 119.800 0.103 0.000 2.045 744 Q HA -0.167 4.170 4.340 -0.005 0.000 0.206 744 Q C 2.512 178.716 176.000 0.340 0.000 0.991 744 Q CA 1.440 57.329 55.803 0.143 0.000 0.851 744 Q CB -0.324 28.498 28.738 0.140 0.000 0.911 744 Q HN 0.254 nan 8.270 nan 0.000 0.418 745 L N 0.049 121.501 121.223 0.381 0.000 2.012 745 L HA -0.232 4.105 4.340 -0.005 0.000 0.210 745 L C 2.516 179.576 176.870 0.318 0.000 1.073 745 L CA 1.253 56.321 54.840 0.379 0.000 0.748 745 L CB -0.447 41.752 42.059 0.234 0.000 0.891 745 L HN 0.150 nan 8.230 nan 0.000 0.431 746 S N -0.578 115.259 115.700 0.229 0.000 2.383 746 S HA -0.137 4.330 4.470 -0.005 0.000 0.227 746 S C 2.092 176.792 174.600 0.167 0.000 1.026 746 S CA 1.445 59.757 58.200 0.187 0.000 0.981 746 S CB -0.180 63.107 63.200 0.144 0.000 0.818 746 S HN 0.618 nan 8.310 nan 0.000 0.472 747 S N 0.125 115.923 115.700 0.164 0.000 2.503 747 S HA 0.406 4.873 4.470 -0.005 0.000 0.217 747 S C 1.321 176.000 174.600 0.132 0.000 0.999 747 S CA 0.614 58.890 58.200 0.126 0.000 0.914 747 S CB 0.357 63.622 63.200 0.109 0.000 0.782 747 S HN 0.770 nan 8.310 nan 0.000 0.520 748 G N 0.555 109.465 108.800 0.184 0.000 2.147 748 G HA2 -0.195 3.763 3.960 -0.005 0.000 0.128 748 G HA3 -0.195 3.763 3.960 -0.005 0.000 0.128 748 G C 0.102 175.085 174.900 0.138 0.000 1.026 748 G CA 0.013 45.212 45.100 0.165 0.000 0.693 748 G HN 0.402 nan 8.290 nan 0.000 0.499 749 F N 0.611 120.544 119.950 -0.030 0.000 2.171 749 F HA 0.223 4.747 4.527 -0.005 0.000 0.300 749 F C 1.924 177.520 175.800 -0.339 0.000 1.090 749 F CA 1.572 59.426 58.000 -0.243 0.000 1.293 749 F CB -0.069 38.685 39.000 -0.410 0.000 1.013 749 F HN 0.165 nan 8.300 nan 0.000 0.486 750 F N -0.101 119.945 119.950 0.160 0.000 2.797 750 F HA 0.132 4.656 4.527 -0.005 0.000 0.302 750 F C 0.844 176.724 175.800 0.134 0.000 1.130 750 F CA 0.575 58.638 58.000 0.105 0.000 1.387 750 F CB -0.356 38.737 39.000 0.155 0.000 1.107 750 F HN 0.017 nan 8.300 nan 0.000 0.577 751 S N -1.901 113.896 115.700 0.162 0.000 2.787 751 S HA 0.226 4.693 4.470 -0.005 0.000 0.140 751 S C -2.321 172.277 174.600 -0.004 0.000 1.240 751 S CA -0.845 57.384 58.200 0.050 0.000 1.163 751 S CB 0.510 63.677 63.200 -0.054 0.000 1.652 751 S HN -0.165 nan 8.310 nan 0.000 0.443 752 P HA -0.062 nan 4.420 nan 0.000 0.220 752 P C 0.810 178.099 177.300 -0.017 0.000 1.148 752 P CA 1.101 64.181 63.100 -0.032 0.000 0.803 752 P CB 0.025 31.687 31.700 -0.064 0.000 0.782 753 K N -0.771 119.616 120.400 -0.021 0.000 2.444 753 K HA 0.040 4.357 4.320 -0.005 0.000 0.193 753 K C 1.153 177.744 176.600 -0.015 0.000 1.024 753 K CA 0.270 56.548 56.287 -0.015 0.000 1.077 753 K CB 0.257 32.749 32.500 -0.014 0.000 0.833 753 K HN 0.170 nan 8.250 nan 0.000 0.517 754 Q N 0.489 120.275 119.800 -0.023 0.000 3.825 754 Q HA 0.124 4.461 4.340 -0.005 0.000 0.218 754 Q C -2.354 173.628 176.000 -0.031 0.000 0.882 754 Q CA -1.544 54.242 55.803 -0.030 0.000 0.766 754 Q CB 1.032 29.744 28.738 -0.043 0.000 1.497 754 Q HN -0.132 nan 8.270 nan 0.000 0.428 755 P HA -0.233 nan 4.420 nan 0.000 0.216 755 P C 0.763 178.089 177.300 0.044 0.000 1.154 755 P CA 1.633 64.752 63.100 0.032 0.000 0.865 755 P CB 0.107 31.832 31.700 0.041 0.000 0.789 756 D N -0.713 119.700 120.400 0.022 0.000 2.349 756 D HA -0.080 4.557 4.640 -0.005 0.000 0.224 756 D C 1.844 178.149 176.300 0.008 0.000 1.029 756 D CA 0.030 54.052 54.000 0.037 0.000 0.879 756 D CB -0.773 40.048 40.800 0.036 0.000 0.906 756 D HN 0.019 nan 8.370 nan 0.000 0.528 757 L N 0.215 121.376 121.223 -0.103 0.000 2.064 757 L HA -0.205 4.132 4.340 -0.005 0.000 0.216 757 L C 1.216 177.940 176.870 -0.243 0.000 1.077 757 L CA 1.729 56.405 54.840 -0.273 0.000 0.766 757 L CB -0.712 41.004 42.059 -0.571 0.000 0.890 757 L HN -0.046 nan 8.230 nan 0.000 0.435 758 F N -0.546 119.465 119.950 0.102 0.000 2.641 758 F HA 0.178 4.702 4.527 -0.005 0.000 0.302 758 F C 1.886 177.744 175.800 0.096 0.000 1.098 758 F CA 0.157 58.209 58.000 0.086 0.000 1.318 758 F CB -0.794 38.247 39.000 0.069 0.000 1.035 758 F HN 0.149 nan 8.300 nan 0.000 0.551 759 K N -0.242 120.294 120.400 0.227 0.000 2.228 759 K HA -0.222 4.095 4.320 -0.005 0.000 0.205 759 K C 0.592 177.303 176.600 0.185 0.000 1.045 759 K CA 2.227 58.622 56.287 0.180 0.000 0.931 759 K CB -0.250 32.328 32.500 0.131 0.000 0.727 759 K HN 0.094 nan 8.250 nan 0.000 0.458 760 D N 0.720 121.245 120.400 0.208 0.000 2.305 760 D HA 0.082 4.719 4.640 -0.005 0.000 0.206 760 D C 1.921 178.329 176.300 0.181 0.000 0.974 760 D CA 0.490 54.615 54.000 0.209 0.000 0.871 760 D CB 0.051 41.016 40.800 0.275 0.000 0.947 760 D HN 0.272 nan 8.370 nan 0.000 0.516 761 I N 0.467 121.140 120.570 0.173 0.000 2.090 761 I HA -0.234 3.933 4.170 -0.005 0.000 0.236 761 I C 2.302 178.479 176.117 0.100 0.000 1.064 761 I CA 0.792 62.158 61.300 0.110 0.000 1.324 761 I CB -0.477 37.565 38.000 0.070 0.000 1.044 761 I HN -0.103 nan 8.210 nan 0.000 0.399 762 V N 1.466 121.459 119.914 0.130 0.000 2.282 762 V HA -0.349 3.768 4.120 -0.005 0.000 0.249 762 V C 2.293 178.432 176.094 0.075 0.000 1.057 762 V CA 2.599 64.969 62.300 0.117 0.000 1.032 762 V CB -1.157 30.754 31.823 0.147 0.000 0.645 762 V HN 0.503 nan 8.190 nan 0.000 0.447 763 N N -0.310 118.471 118.700 0.135 0.000 2.094 763 N HA -0.231 4.506 4.740 -0.005 0.000 0.191 763 N C 1.813 177.409 175.510 0.144 0.000 1.023 763 N CA 2.024 55.191 53.050 0.196 0.000 0.857 763 N CB -0.274 38.363 38.487 0.250 0.000 1.013 763 N HN 0.373 nan 8.380 nan 0.000 0.426 764 M N 0.148 119.833 119.600 0.141 0.000 2.123 764 M HA -0.044 4.433 4.480 -0.005 0.000 0.263 764 M C 1.788 178.075 176.300 -0.021 0.000 1.069 764 M CA 1.113 56.498 55.300 0.142 0.000 1.133 764 M CB -0.682 32.007 32.600 0.147 0.000 1.356 764 M HN 0.267 nan 8.290 nan 0.000 0.415 765 L N 0.211 121.379 121.223 -0.092 0.000 1.997 765 L HA -0.324 4.013 4.340 -0.005 0.000 0.216 765 L C 2.643 179.190 176.870 -0.539 0.000 1.074 765 L CA 1.376 56.027 54.840 -0.315 0.000 0.763 765 L CB -0.855 41.111 42.059 -0.155 0.000 0.890 765 L HN 0.321 nan 8.230 nan 0.000 0.434 766 M N -1.237 118.102 119.600 -0.435 0.000 2.099 766 M HA -0.141 4.336 4.480 -0.005 0.000 0.262 766 M C 1.985 177.708 176.300 -0.961 0.000 1.067 766 M CA 1.868 56.731 55.300 -0.729 0.000 1.124 766 M CB -1.088 31.030 32.600 -0.803 0.000 1.353 766 M HN 0.354 nan 8.290 nan 0.000 0.410 767 H N -2.943 115.934 119.070 -0.321 0.000 3.241 767 H HA 0.266 4.819 4.556 -0.005 0.000 0.260 767 H C 0.127 175.008 175.328 -0.746 0.000 1.084 767 H CA 0.333 56.016 56.048 -0.609 0.000 1.203 767 H CB 0.397 29.673 29.762 -0.810 0.000 1.524 767 H HN 0.560 nan 8.280 nan 0.000 0.521 768 H N -0.139 118.949 119.070 0.029 0.000 3.233 768 H HA 0.090 4.643 4.556 -0.005 0.000 0.232 768 H C -0.790 174.560 175.328 0.036 0.000 1.322 768 H CA -0.345 55.735 56.048 0.053 0.000 1.043 768 H CB 0.839 30.648 29.762 0.077 0.000 2.572 768 H HN -0.033 nan 8.280 nan 0.000 0.597 769 D N 1.236 121.692 120.400 0.093 0.000 2.374 769 D HA 0.092 4.729 4.640 -0.005 0.000 0.240 769 D C 1.044 177.345 176.300 0.002 0.000 1.229 769 D CA -0.118 53.926 54.000 0.072 0.000 0.895 769 D CB 0.605 41.434 40.800 0.049 0.000 1.046 769 D HN 0.336 nan 8.370 nan 0.000 0.498 770 R N 2.245 122.656 120.500 -0.149 0.000 2.237 770 R HA -0.046 4.291 4.340 -0.005 0.000 0.219 770 R C 0.593 176.393 176.300 -0.832 0.000 1.080 770 R CA 0.802 56.581 56.100 -0.534 0.000 0.995 770 R CB 0.137 29.928 30.300 -0.849 0.000 0.875 770 R HN 0.393 nan 8.270 nan 0.000 0.462 771 F N 0.360 120.293 119.950 -0.028 0.000 2.654 771 F HA 0.254 4.778 4.527 -0.005 0.000 0.303 771 F C 0.111 175.798 175.800 -0.187 0.000 1.099 771 F CA -0.652 57.314 58.000 -0.057 0.000 1.270 771 F CB 0.289 39.314 39.000 0.042 0.000 1.024 771 F HN -0.223 nan 8.300 nan 0.000 0.548 772 K N -0.755 119.447 120.400 -0.330 0.000 3.077 772 K HA -0.197 4.120 4.320 -0.005 0.000 0.264 772 K C 1.118 177.555 176.600 -0.272 0.000 1.008 772 K CA 0.264 56.162 56.287 -0.648 0.000 0.740 772 K CB -1.981 30.056 32.500 -0.771 0.000 1.273 772 K HN 0.202 nan 8.250 nan 0.000 0.477 773 V N 0.057 119.916 119.914 -0.091 0.000 2.220 773 V HA -0.318 3.799 4.120 -0.005 0.000 0.250 773 V C 2.032 178.245 176.094 0.199 0.000 1.056 773 V CA 2.455 64.787 62.300 0.054 0.000 1.016 773 V CB -0.499 31.378 31.823 0.089 0.000 0.639 773 V HN 0.362 nan 8.190 nan 0.000 0.446 774 F N 0.861 120.808 119.950 -0.005 0.000 2.202 774 F HA -0.100 4.424 4.527 -0.005 0.000 0.301 774 F C 2.433 178.089 175.800 -0.241 0.000 1.082 774 F CA 0.775 58.748 58.000 -0.045 0.000 1.313 774 F CB -1.725 37.257 39.000 -0.030 0.000 1.024 774 F HN 0.174 nan 8.300 nan 0.000 0.495 775 A N -0.575 122.098 122.820 -0.245 0.000 2.067 775 A HA -0.122 4.195 4.320 -0.005 0.000 0.219 775 A C 1.639 179.234 177.584 0.017 0.000 1.158 775 A CA 1.688 53.487 52.037 -0.398 0.000 0.661 775 A CB -0.477 18.324 19.000 -0.331 0.000 0.801 775 A HN 0.209 nan 8.150 nan 0.000 0.452 776 D N -2.761 117.699 120.400 0.101 0.000 2.398 776 D HA 0.089 4.726 4.640 -0.005 0.000 0.210 776 D C 1.110 177.576 176.300 0.276 0.000 1.094 776 D CA -0.137 53.990 54.000 0.212 0.000 0.839 776 D CB -0.153 40.775 40.800 0.212 0.000 0.963 776 D HN 0.469 nan 8.370 nan 0.000 0.506 777 Y N 2.379 122.765 120.300 0.143 0.000 1.977 777 Y HA -0.322 4.226 4.550 -0.004 0.000 0.264 777 Y C 2.071 178.063 175.900 0.153 0.000 1.167 777 Y CA 2.158 60.346 58.100 0.148 0.000 1.102 777 Y CB -0.004 38.527 38.460 0.118 0.000 0.948 777 Y HN -0.057 nan 8.280 nan 0.000 0.489 778 E N -0.708 119.551 120.200 0.098 0.000 2.106 778 E HA -0.198 4.149 4.350 -0.005 0.000 0.192 778 E C 2.060 178.637 176.600 -0.039 0.000 0.984 778 E CA 1.136 57.527 56.400 -0.015 0.000 0.806 778 E CB -0.048 29.750 29.700 0.162 0.000 0.750 778 E HN 0.523 nan 8.360 nan 0.000 0.458 779 E N 0.059 120.303 120.200 0.074 0.000 2.153 779 E HA -0.186 4.161 4.350 -0.005 0.000 0.194 779 E C 1.765 178.371 176.600 0.010 0.000 0.988 779 E CA 0.765 57.232 56.400 0.112 0.000 0.811 779 E CB -0.335 29.511 29.700 0.244 0.000 0.746 779 E HN 0.356 nan 8.360 nan 0.000 0.466 780 Y N 1.371 121.485 120.300 -0.310 0.000 2.163 780 Y HA -0.184 4.364 4.550 -0.005 0.000 0.288 780 Y C 2.255 177.738 175.900 -0.696 0.000 1.136 780 Y CA 0.930 58.539 58.100 -0.818 0.000 1.147 780 Y CB -0.383 37.650 38.460 -0.711 0.000 0.987 780 Y HN -0.198 nan 8.280 nan 0.000 0.509 781 V N 0.584 120.177 119.914 -0.536 0.000 2.261 781 V HA -0.338 3.779 4.120 -0.005 0.000 0.246 781 V C 2.247 178.126 176.094 -0.359 0.000 1.047 781 V CA 2.425 64.419 62.300 -0.510 0.000 1.015 781 V CB -0.679 30.887 31.823 -0.428 0.000 0.642 781 V HN 0.286 nan 8.190 nan 0.000 0.446 782 K N -0.590 119.668 120.400 -0.237 0.000 2.044 782 K HA -0.257 4.060 4.320 -0.005 0.000 0.210 782 K C 2.301 178.814 176.600 -0.146 0.000 1.049 782 K CA 1.916 58.122 56.287 -0.135 0.000 0.927 782 K CB -0.807 31.661 32.500 -0.054 0.000 0.713 782 K HN 0.543 nan 8.250 nan 0.000 0.443 783 C N 1.377 120.562 119.300 -0.191 0.000 2.413 783 C HA -0.121 4.336 4.460 -0.005 0.000 0.276 783 C C 2.564 177.361 174.990 -0.322 0.000 1.248 783 C CA 0.883 59.811 59.018 -0.151 0.000 1.742 783 C CB -0.722 26.953 27.740 -0.109 0.000 2.017 783 C HN 0.431 nan 8.230 nan 0.000 0.481 784 Q N 0.378 119.839 119.800 -0.564 0.000 2.291 784 Q HA -0.144 4.193 4.340 -0.005 0.000 0.205 784 Q C 1.932 177.742 176.000 -0.317 0.000 0.970 784 Q CA 1.442 56.886 55.803 -0.599 0.000 0.876 784 Q CB -0.331 27.807 28.738 -0.999 0.000 0.935 784 Q HN 0.765 nan 8.270 nan 0.000 0.455 785 E N 0.248 120.317 120.200 -0.218 0.000 2.072 785 E HA -0.127 4.220 4.350 -0.005 0.000 0.191 785 E C 2.071 178.632 176.600 -0.065 0.000 0.985 785 E CA 0.584 56.919 56.400 -0.108 0.000 0.801 785 E CB -0.030 29.631 29.700 -0.065 0.000 0.750 785 E HN 0.240 nan 8.360 nan 0.000 0.452 786 R N 0.429 120.896 120.500 -0.055 0.000 2.105 786 R HA -0.133 4.204 4.340 -0.005 0.000 0.239 786 R C 2.365 178.690 176.300 0.042 0.000 1.135 786 R CA 1.188 57.333 56.100 0.076 0.000 0.967 786 R CB -0.357 30.097 30.300 0.256 0.000 0.861 786 R HN 0.089 nan 8.270 nan 0.000 0.442 787 V N 0.065 119.775 119.914 -0.340 0.000 2.323 787 V HA -0.174 3.943 4.120 -0.005 0.000 0.244 787 V C 2.093 178.180 176.094 -0.012 0.000 1.041 787 V CA 1.842 63.818 62.300 -0.541 0.000 1.025 787 V CB -0.135 31.261 31.823 -0.712 0.000 0.656 787 V HN 0.268 nan 8.190 nan 0.000 0.451 788 S N -0.009 115.649 115.700 -0.070 0.000 2.414 788 S HA -0.010 4.457 4.470 -0.005 0.000 0.227 788 S C 2.200 176.861 174.600 0.102 0.000 1.022 788 S CA 1.027 59.227 58.200 -0.000 0.000 0.958 788 S CB -0.297 62.857 63.200 -0.076 0.000 0.797 788 S HN 0.605 nan 8.310 nan 0.000 0.493 789 A N 1.888 124.767 122.820 0.097 0.000 1.859 789 A HA -0.129 4.188 4.320 -0.005 0.000 0.217 789 A C 2.096 179.794 177.584 0.189 0.000 1.198 789 A CA 1.604 53.721 52.037 0.133 0.000 0.629 789 A CB -0.959 18.109 19.000 0.113 0.000 0.830 789 A HN 0.420 nan 8.150 nan 0.000 0.446 790 L N -1.912 119.480 121.223 0.280 0.000 2.079 790 L HA -0.181 4.156 4.340 -0.005 0.000 0.210 790 L C 2.289 179.399 176.870 0.399 0.000 1.081 790 L CA 2.203 57.280 54.840 0.396 0.000 0.752 790 L CB -0.797 41.621 42.059 0.597 0.000 0.896 790 L HN 0.526 nan 8.230 nan 0.000 0.433 791 Y N 0.258 120.643 120.300 0.141 0.000 2.242 791 Y HA -0.226 4.322 4.550 -0.003 0.000 0.291 791 Y C 2.324 178.161 175.900 -0.105 0.000 1.137 791 Y CA 1.687 59.642 58.100 -0.242 0.000 1.181 791 Y CB -0.077 38.053 38.460 -0.550 0.000 0.989 791 Y HN 0.156 nan 8.280 nan 0.000 0.527 792 K N 0.021 120.462 120.400 0.068 0.000 2.442 792 K HA -0.173 4.144 4.320 -0.005 0.000 0.199 792 K C 0.242 176.831 176.600 -0.019 0.000 1.044 792 K CA 0.779 57.094 56.287 0.047 0.000 0.941 792 K CB -0.248 32.321 32.500 0.114 0.000 0.759 792 K HN 0.090 nan 8.250 nan 0.000 0.472 793 N N 0.419 119.113 118.700 -0.010 0.000 2.706 793 N HA 0.133 4.870 4.740 -0.005 0.000 0.240 793 N C -2.396 173.093 175.510 -0.034 0.000 1.039 793 N CA -2.358 50.689 53.050 -0.005 0.000 0.888 793 N CB 1.396 39.913 38.487 0.050 0.000 1.128 793 N HN -0.239 nan 8.380 nan 0.000 0.512 794 P HA -0.219 nan 4.420 nan 0.000 0.217 794 P C 1.333 178.627 177.300 -0.011 0.000 1.158 794 P CA 1.361 64.374 63.100 -0.146 0.000 0.887 794 P CB 0.321 31.922 31.700 -0.165 0.000 0.792 795 R N -0.162 120.339 120.500 0.002 0.000 2.092 795 R HA -0.151 4.186 4.340 -0.005 0.000 0.231 795 R C 1.875 178.208 176.300 0.056 0.000 1.119 795 R CA 1.419 57.533 56.100 0.024 0.000 0.970 795 R CB -0.374 29.935 30.300 0.015 0.000 0.864 795 R HN 0.088 nan 8.270 nan 0.000 0.440 796 E N 0.054 120.298 120.200 0.073 0.000 2.112 796 E HA -0.198 4.149 4.350 -0.005 0.000 0.190 796 E C 1.607 178.282 176.600 0.125 0.000 0.979 796 E CA 0.605 57.056 56.400 0.085 0.000 0.814 796 E CB -0.516 29.230 29.700 0.078 0.000 0.762 796 E HN 0.473 nan 8.360 nan 0.000 0.460 797 W N 2.123 123.404 121.300 -0.032 0.000 2.317 797 W HA -0.219 4.437 4.660 -0.006 0.000 0.318 797 W C 1.736 178.237 176.519 -0.029 0.000 1.227 797 W CA 2.293 59.622 57.345 -0.026 0.000 1.269 797 W CB -0.408 28.979 29.460 -0.121 0.000 1.155 797 W HN 0.063 nan 8.180 nan 0.000 0.484 798 T N 0.833 115.517 114.554 0.216 0.000 2.821 798 T HA -0.141 4.206 4.350 -0.005 0.000 0.267 798 T C 1.813 176.524 174.700 0.019 0.000 1.046 798 T CA 1.488 63.649 62.100 0.102 0.000 1.139 798 T CB -0.272 68.635 68.868 0.065 0.000 0.871 798 T HN 0.178 nan 8.240 nan 0.000 0.454 799 R N 0.614 121.131 120.500 0.028 0.000 2.096 799 R HA 0.052 4.389 4.340 -0.005 0.000 0.235 799 R C 2.460 178.748 176.300 -0.021 0.000 1.127 799 R CA 1.241 57.355 56.100 0.023 0.000 0.968 799 R CB -0.357 29.962 30.300 0.031 0.000 0.861 799 R HN 0.374 nan 8.270 nan 0.000 0.440 800 M N 0.484 120.035 119.600 -0.082 0.000 2.254 800 M HA -0.100 4.377 4.480 -0.005 0.000 0.265 800 M C 1.917 178.115 176.300 -0.171 0.000 1.066 800 M CA 1.189 56.401 55.300 -0.146 0.000 1.123 800 M CB 0.245 32.700 32.600 -0.240 0.000 1.388 800 M HN -0.030 nan 8.290 nan 0.000 0.425 801 V N 1.138 120.929 119.914 -0.205 0.000 2.261 801 V HA -0.323 3.794 4.120 -0.005 0.000 0.246 801 V C 2.242 178.307 176.094 -0.049 0.000 1.047 801 V CA 2.139 64.346 62.300 -0.156 0.000 1.015 801 V CB -0.608 31.147 31.823 -0.114 0.000 0.642 801 V HN 0.512 nan 8.190 nan 0.000 0.446 802 I N -0.316 120.251 120.570 -0.005 0.000 2.143 802 I HA -0.394 3.773 4.170 -0.005 0.000 0.245 802 I C 2.684 178.849 176.117 0.080 0.000 1.068 802 I CA 1.989 63.338 61.300 0.083 0.000 1.326 802 I CB -0.517 37.578 38.000 0.158 0.000 1.028 802 I HN 0.274 nan 8.210 nan 0.000 0.412 803 R N 0.368 120.889 120.500 0.035 0.000 2.159 803 R HA -0.138 4.199 4.340 -0.005 0.000 0.237 803 R C 2.073 178.404 176.300 0.052 0.000 1.131 803 R CA 1.227 57.349 56.100 0.036 0.000 0.982 803 R CB -0.446 29.859 30.300 0.009 0.000 0.868 803 R HN 0.544 nan 8.270 nan 0.000 0.453 804 N N 0.671 119.384 118.700 0.022 0.000 2.092 804 N HA -0.066 4.671 4.740 -0.005 0.000 0.189 804 N C 1.937 177.500 175.510 0.088 0.000 1.040 804 N CA 1.171 54.246 53.050 0.042 0.000 0.845 804 N CB -0.028 38.420 38.487 -0.065 0.000 1.017 804 N HN 0.113 nan 8.380 nan 0.000 0.426 805 I N 1.644 122.254 120.570 0.067 0.000 2.264 805 I HA -0.215 3.952 4.170 -0.005 0.000 0.248 805 I C 2.255 178.430 176.117 0.098 0.000 1.111 805 I CA 0.757 62.108 61.300 0.085 0.000 1.382 805 I CB -0.299 37.744 38.000 0.072 0.000 1.060 805 I HN 0.084 nan 8.210 nan 0.000 0.418 806 A N 0.194 123.073 122.820 0.099 0.000 2.216 806 A HA -0.118 4.199 4.320 -0.005 0.000 0.214 806 A C 1.767 179.397 177.584 0.076 0.000 1.160 806 A CA 1.853 53.941 52.037 0.085 0.000 0.725 806 A CB -0.761 18.290 19.000 0.084 0.000 0.784 806 A HN 0.545 nan 8.150 nan 0.000 0.472 807 T N -4.172 110.444 114.554 0.103 0.000 3.399 807 T HA 0.181 4.528 4.350 -0.005 0.000 0.305 807 T C 0.970 175.775 174.700 0.176 0.000 0.983 807 T CA 0.548 62.712 62.100 0.106 0.000 0.967 807 T CB -0.450 68.479 68.868 0.103 0.000 1.186 807 T HN 0.445 nan 8.240 nan 0.000 0.504 808 S N 0.284 116.105 115.700 0.201 0.000 2.558 808 S HA 0.236 4.703 4.470 -0.005 0.000 0.217 808 S C 2.238 176.964 174.600 0.210 0.000 0.975 808 S CA 0.462 58.855 58.200 0.322 0.000 0.912 808 S CB -0.662 62.692 63.200 0.257 0.000 0.776 808 S HN 0.550 nan 8.310 nan 0.000 0.526 809 G N 2.444 111.291 108.800 0.078 0.000 2.485 809 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.221 809 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.221 809 G C 1.314 176.145 174.900 -0.115 0.000 1.115 809 G CA 0.982 46.090 45.100 0.014 0.000 0.751 809 G HN 0.629 nan 8.290 nan 0.000 0.567 810 K N -0.319 119.880 120.400 -0.335 0.000 2.280 810 K HA -0.014 4.303 4.320 -0.005 0.000 0.202 810 K C 1.005 177.163 176.600 -0.737 0.000 1.047 810 K CA 0.729 56.628 56.287 -0.646 0.000 0.942 810 K CB -0.192 31.736 32.500 -0.953 0.000 0.739 810 K HN 0.348 nan 8.250 nan 0.000 0.457 811 F N 0.671 120.653 119.950 0.053 0.000 2.641 811 F HA 0.251 4.775 4.527 -0.006 0.000 0.302 811 F C 0.695 176.540 175.800 0.075 0.000 1.098 811 F CA -0.494 57.543 58.000 0.061 0.000 1.318 811 F CB 0.123 39.155 39.000 0.054 0.000 1.035 811 F HN -0.172 nan 8.300 nan 0.000 0.551 812 S N 0.459 116.245 115.700 0.142 0.000 2.549 812 S HA 0.038 4.505 4.470 -0.005 0.000 0.286 812 S C 1.561 176.242 174.600 0.135 0.000 1.314 812 S CA 0.209 58.485 58.200 0.127 0.000 1.062 812 S CB 0.566 63.807 63.200 0.068 0.000 0.865 812 S HN 0.428 nan 8.310 nan 0.000 0.498 813 S N 3.231 119.036 115.700 0.176 0.000 2.481 813 S HA -0.080 4.387 4.470 -0.005 0.000 0.231 813 S C 1.012 175.666 174.600 0.090 0.000 0.996 813 S CA 0.731 59.057 58.200 0.210 0.000 0.942 813 S CB -0.311 63.094 63.200 0.343 0.000 0.768 813 S HN 0.783 nan 8.310 nan 0.000 0.520 814 D N 2.032 122.469 120.400 0.060 0.000 2.123 814 D HA -0.118 4.519 4.640 -0.005 0.000 0.196 814 D C 2.072 178.370 176.300 -0.003 0.000 0.992 814 D CA 0.899 54.911 54.000 0.020 0.000 0.833 814 D CB -0.382 40.429 40.800 0.017 0.000 0.954 814 D HN 0.306 nan 8.370 nan 0.000 0.455 815 R N 0.754 121.256 120.500 0.002 0.000 2.096 815 R HA -0.118 4.219 4.340 -0.005 0.000 0.229 815 R C 2.067 178.352 176.300 -0.025 0.000 1.134 815 R CA 1.907 57.993 56.100 -0.023 0.000 0.917 815 R CB -1.010 29.262 30.300 -0.046 0.000 0.832 815 R HN 0.147 nan 8.270 nan 0.000 0.430 816 T N 2.314 116.877 114.554 0.015 0.000 2.653 816 T HA -0.168 4.179 4.350 -0.005 0.000 0.268 816 T C 1.953 176.653 174.700 0.000 0.000 1.035 816 T CA 1.541 63.669 62.100 0.047 0.000 1.154 816 T CB -0.163 68.817 68.868 0.187 0.000 0.862 816 T HN 0.148 nan 8.240 nan 0.000 0.441 817 I N 1.484 121.977 120.570 -0.127 0.000 2.202 817 I HA -0.055 4.112 4.170 -0.005 0.000 0.242 817 I C 2.965 179.020 176.117 -0.103 0.000 1.091 817 I CA 1.062 62.228 61.300 -0.223 0.000 1.368 817 I CB -1.560 36.289 38.000 -0.252 0.000 1.058 817 I HN 0.215 nan 8.210 nan 0.000 0.410 818 A N 0.206 122.990 122.820 -0.061 0.000 1.978 818 A HA -0.240 4.077 4.320 -0.005 0.000 0.220 818 A C 2.218 179.750 177.584 -0.087 0.000 1.170 818 A CA 1.460 53.470 52.037 -0.046 0.000 0.636 818 A CB -0.510 18.471 19.000 -0.031 0.000 0.810 818 A HN 0.539 nan 8.150 nan 0.000 0.448 819 Q N -1.694 118.032 119.800 -0.122 0.000 2.020 819 Q HA -0.169 4.168 4.340 -0.005 0.000 0.198 819 Q C 1.966 177.778 176.000 -0.314 0.000 0.974 819 Q CA 1.630 57.317 55.803 -0.193 0.000 0.829 819 Q CB -0.404 28.206 28.738 -0.214 0.000 0.894 819 Q HN 0.778 nan 8.270 nan 0.000 0.433 820 Y N 0.981 120.994 120.300 -0.479 0.000 2.096 820 Y HA -0.354 4.193 4.550 -0.005 0.000 0.278 820 Y C 2.515 177.820 175.900 -0.991 0.000 1.192 820 Y CA 1.456 59.009 58.100 -0.911 0.000 1.143 820 Y CB -0.634 36.994 38.460 -1.388 0.000 0.963 820 Y HN 0.198 nan 8.280 nan 0.000 0.505 821 A N 0.234 122.814 122.820 -0.400 0.000 1.858 821 A HA -0.231 4.086 4.320 -0.005 0.000 0.216 821 A C 2.255 179.843 177.584 0.006 0.000 1.190 821 A CA 2.097 54.144 52.037 0.018 0.000 0.617 821 A CB -0.624 18.464 19.000 0.147 0.000 0.827 821 A HN 0.464 nan 8.150 nan 0.000 0.443 822 R N -0.525 119.941 120.500 -0.058 0.000 2.090 822 R HA -0.055 4.282 4.340 -0.005 0.000 0.228 822 R C 1.560 177.824 176.300 -0.060 0.000 1.110 822 R CA 1.565 57.640 56.100 -0.042 0.000 0.973 822 R CB -0.179 30.095 30.300 -0.044 0.000 0.869 822 R HN 0.667 nan 8.270 nan 0.000 0.440 823 E N -0.729 119.395 120.200 -0.127 0.000 2.489 823 E HA 0.151 4.498 4.350 -0.005 0.000 0.204 823 E C 1.254 177.800 176.600 -0.089 0.000 1.006 823 E CA 0.106 56.442 56.400 -0.107 0.000 0.936 823 E CB 0.662 30.270 29.700 -0.152 0.000 1.002 823 E HN 0.285 nan 8.360 nan 0.000 0.488 824 I N -0.947 119.534 120.570 -0.149 0.000 3.534 824 I HA 0.050 4.218 4.170 -0.005 0.000 0.251 824 I C 1.403 177.646 176.117 0.209 0.000 1.136 824 I CA -0.031 61.241 61.300 -0.045 0.000 1.475 824 I CB 0.099 37.918 38.000 -0.301 0.000 1.526 824 I HN 0.107 nan 8.210 nan 0.000 0.454 825 W N 1.583 122.975 121.300 0.152 0.000 2.658 825 W HA 0.298 4.955 4.660 -0.005 0.000 0.263 825 W C 1.475 178.027 176.519 0.055 0.000 1.274 825 W CA 0.901 58.317 57.345 0.118 0.000 1.343 825 W CB -1.049 28.464 29.460 0.088 0.000 1.106 825 W HN 0.368 nan 8.180 nan 0.000 0.615 826 G N 1.172 110.108 108.800 0.227 0.000 2.256 826 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.272 826 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.272 826 G C -0.314 174.650 174.900 0.106 0.000 1.076 826 G CA 0.255 45.427 45.100 0.121 0.000 0.882 826 G HN 0.443 nan 8.290 nan 0.000 0.497 827 V N -3.295 116.704 119.914 0.141 0.000 2.823 827 V HA 0.907 5.024 4.120 -0.005 0.000 0.312 827 V C -0.103 176.040 176.094 0.081 0.000 1.072 827 V CA -1.485 60.873 62.300 0.097 0.000 0.937 827 V CB 2.228 34.113 31.823 0.103 0.000 1.013 827 V HN 0.382 nan 8.190 nan 0.000 0.430 828 E N 5.602 125.830 120.200 0.047 0.000 2.259 828 E HA 0.525 4.872 4.350 -0.005 0.000 0.281 828 E C -2.163 174.460 176.600 0.039 0.000 1.037 828 E CA -1.767 54.654 56.400 0.035 0.000 0.854 828 E CB 0.880 30.594 29.700 0.024 0.000 1.051 828 E HN 0.789 nan 8.360 nan 0.000 0.409 829 P HA 0.067 nan 4.420 nan 0.000 0.272 829 P C -0.876 176.443 177.300 0.031 0.000 1.243 829 P CA -0.324 62.797 63.100 0.036 0.000 0.803 829 P CB 0.639 32.356 31.700 0.028 0.000 0.974 830 S N -0.927 114.794 115.700 0.034 0.000 2.556 830 S HA 0.348 4.815 4.470 -0.005 0.000 0.280 830 S C 0.087 174.709 174.600 0.036 0.000 1.141 830 S CA -0.801 57.419 58.200 0.034 0.000 0.883 830 S CB 1.071 64.296 63.200 0.042 0.000 1.103 830 S HN 0.269 nan 8.310 nan 0.000 0.453 831 R N 1.423 121.941 120.500 0.031 0.000 2.362 831 R HA 0.209 4.546 4.340 -0.005 0.000 0.227 831 R C 0.212 176.527 176.300 0.025 0.000 0.905 831 R CA -0.148 55.971 56.100 0.032 0.000 1.067 831 R CB -0.327 29.991 30.300 0.030 0.000 1.078 831 R HN 0.700 nan 8.270 nan 0.000 0.516 832 Q N 2.190 122.004 119.800 0.023 0.000 2.244 832 Q HA -0.014 4.323 4.340 -0.005 0.000 0.278 832 Q C -0.307 175.697 176.000 0.008 0.000 1.093 832 Q CA 0.323 56.135 55.803 0.015 0.000 0.916 832 Q CB 0.180 28.926 28.738 0.015 0.000 1.159 832 Q HN -0.058 nan 8.270 nan 0.000 0.384 833 R N 3.375 123.873 120.500 -0.004 0.000 2.538 833 R HA 0.034 4.371 4.340 -0.005 0.000 0.282 833 R C -0.488 175.792 176.300 -0.034 0.000 1.009 833 R CA -0.322 55.768 56.100 -0.017 0.000 1.063 833 R CB 0.206 30.493 30.300 -0.022 0.000 0.945 833 R HN 0.606 nan 8.270 nan 0.000 0.414 834 L N 7.172 128.368 121.223 -0.044 0.000 2.436 834 L HA 0.324 4.661 4.340 -0.005 0.000 0.265 834 L C -1.871 174.959 176.870 -0.066 0.000 1.168 834 L CA -1.876 52.915 54.840 -0.083 0.000 0.815 834 L CB 0.534 42.541 42.059 -0.085 0.000 1.109 834 L HN 0.653 nan 8.230 nan 0.000 0.462 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.071 63.100 -0.049 0.000 0.800 835 P CB 0.000 31.670 31.700 -0.050 0.000 0.726