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 3e3n_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 RVLYXXXXXX XGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSSKF GCRDPVRTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVLPEALER 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 VEPSRQRLPA P 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 0.000 175.997 176.000 -0.005 0.000 1.003 7 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 7 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 8 E N 1.153 121.352 120.200 -0.003 0.000 2.437 8 E HA 0.027 4.376 4.350 -0.001 0.000 0.189 8 E C 0.597 177.197 176.600 0.000 0.000 1.054 8 E CA 0.085 56.485 56.400 -0.001 0.000 0.874 8 E CB 0.330 30.031 29.700 0.002 0.000 1.011 8 E HN 0.307 nan 8.360 nan 0.000 0.474 9 K N 0.982 121.381 120.400 -0.002 0.000 2.362 9 K HA -0.063 4.257 4.320 -0.001 0.000 0.200 9 K C 1.514 178.113 176.600 -0.002 0.000 1.046 9 K CA 0.663 56.949 56.287 -0.001 0.000 0.952 9 K CB 0.095 32.593 32.500 -0.003 0.000 0.753 9 K HN 0.161 nan 8.250 nan 0.000 0.466 10 R N 0.449 120.947 120.500 -0.004 0.000 2.388 10 R HA 0.116 4.455 4.340 -0.001 0.000 0.247 10 R C 0.504 176.802 176.300 -0.003 0.000 0.931 10 R CA -0.000 56.097 56.100 -0.005 0.000 1.082 10 R CB 0.093 30.387 30.300 -0.010 0.000 1.135 10 R HN -0.065 nan 8.270 nan 0.000 0.525 11 K N 0.998 121.399 120.400 0.002 0.000 2.504 11 K HA -0.076 4.244 4.320 -0.001 0.000 0.195 11 K C 1.398 178.004 176.600 0.011 0.000 1.036 11 K CA 0.576 56.868 56.287 0.009 0.000 0.984 11 K CB 0.093 32.602 32.500 0.015 0.000 0.788 11 K HN 0.367 nan 8.250 nan 0.000 0.488 12 Q N 0.488 120.292 119.800 0.007 0.000 2.392 12 Q HA 0.149 4.488 4.340 -0.001 0.000 0.203 12 Q C 0.070 176.073 176.000 0.006 0.000 0.917 12 Q CA -0.040 55.768 55.803 0.007 0.000 0.939 12 Q CB 0.362 29.103 28.738 0.005 0.000 1.063 12 Q HN 0.258 nan 8.270 nan 0.000 0.516 13 I N 1.496 122.069 120.570 0.004 0.000 2.311 13 I HA 0.058 4.227 4.170 -0.001 0.000 0.297 13 I C -0.132 175.991 176.117 0.009 0.000 1.131 13 I CA 0.017 61.320 61.300 0.004 0.000 1.289 13 I CB 0.506 38.505 38.000 -0.002 0.000 1.446 13 I HN -0.084 nan 8.210 nan 0.000 0.524 14 S N 3.671 119.380 115.700 0.015 0.000 2.550 14 S HA 0.335 4.805 4.470 -0.001 0.000 0.270 14 S C 0.714 175.329 174.600 0.026 0.000 1.145 14 S CA -0.807 57.407 58.200 0.022 0.000 0.852 14 S CB 1.790 65.005 63.200 0.024 0.000 1.119 14 S HN 0.324 nan 8.310 nan 0.000 0.465 15 V N 2.471 122.404 119.914 0.033 0.000 2.970 15 V HA 0.076 4.195 4.120 -0.001 0.000 0.260 15 V C 2.255 178.367 176.094 0.030 0.000 1.100 15 V CA 1.582 63.902 62.300 0.034 0.000 1.122 15 V CB -1.374 30.475 31.823 0.044 0.000 0.721 15 V HN 0.884 nan 8.190 nan 0.000 0.483 16 R N 2.472 122.989 120.500 0.028 0.000 2.386 16 R HA -0.259 4.080 4.340 -0.001 0.000 0.194 16 R C 1.651 177.966 176.300 0.025 0.000 1.052 16 R CA 2.631 58.746 56.100 0.025 0.000 0.564 16 R CB -1.490 28.823 30.300 0.022 0.000 0.826 16 R HN 0.639 nan 8.270 nan 0.000 0.304 17 G N -1.534 107.279 108.800 0.022 0.000 4.291 17 G HA2 0.352 4.311 3.960 -0.001 0.000 0.304 17 G HA3 0.352 4.311 3.960 -0.001 0.000 0.304 17 G C 0.638 175.551 174.900 0.022 0.000 1.264 17 G CA -0.305 44.809 45.100 0.023 0.000 1.039 17 G HN 0.253 nan 8.290 nan 0.000 0.578 18 L N -0.043 121.192 121.223 0.020 0.000 2.307 18 L HA 0.126 4.466 4.340 -0.001 0.000 0.211 18 L C 3.061 179.932 176.870 0.003 0.000 1.099 18 L CA 0.722 55.568 54.840 0.010 0.000 0.816 18 L CB -0.179 41.885 42.059 0.008 0.000 0.952 18 L HN 0.287 nan 8.230 nan 0.000 0.455 19 A N 0.700 123.533 122.820 0.021 0.000 1.884 19 A HA 0.039 4.358 4.320 -0.001 0.000 0.219 19 A C 1.482 179.126 177.584 0.099 0.000 1.197 19 A CA 1.651 53.718 52.037 0.051 0.000 0.637 19 A CB -1.138 17.923 19.000 0.100 0.000 0.827 19 A HN 0.512 nan 8.150 nan 0.000 0.450 20 G N -2.993 105.857 108.800 0.084 0.000 2.829 20 G HA2 0.024 3.984 3.960 -0.001 0.000 0.628 20 G HA3 0.024 3.984 3.960 -0.001 0.000 0.628 20 G C -0.263 174.699 174.900 0.102 0.000 1.412 20 G CA -0.470 44.684 45.100 0.089 0.000 0.864 20 G HN 1.306 nan 8.290 nan 0.000 0.544 21 V N 0.357 120.315 119.914 0.072 0.000 2.655 21 V HA 0.238 4.357 4.120 -0.001 0.000 0.300 21 V C 1.063 177.191 176.094 0.057 0.000 1.044 21 V CA 0.630 62.961 62.300 0.051 0.000 1.095 21 V CB 1.219 33.059 31.823 0.029 0.000 0.952 21 V HN 0.639 nan 8.190 nan 0.000 0.485 22 E N 4.295 124.501 120.200 0.008 0.000 2.110 22 E HA 0.173 4.523 4.350 -0.001 0.000 0.300 22 E C -0.330 176.234 176.600 -0.060 0.000 1.278 22 E CA -0.284 56.069 56.400 -0.079 0.000 1.365 22 E CB -0.174 29.414 29.700 -0.187 0.000 1.283 22 E HN 0.839 nan 8.360 nan 0.000 0.490 23 N N -1.500 117.191 118.700 -0.016 0.000 2.653 23 N HA 0.126 4.865 4.740 -0.001 0.000 0.294 23 N C 0.712 176.223 175.510 0.002 0.000 1.305 23 N CA -0.962 52.081 53.050 -0.011 0.000 0.827 23 N CB 0.535 39.021 38.487 -0.002 0.000 1.415 23 N HN -0.119 nan 8.380 nan 0.000 0.546 24 V N -0.130 119.784 119.914 0.001 0.000 2.332 24 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 24 V C 2.008 178.111 176.094 0.015 0.000 1.055 24 V CA 2.510 64.813 62.300 0.006 0.000 1.038 24 V CB -1.251 30.574 31.823 0.004 0.000 0.651 24 V HN 0.820 nan 8.190 nan 0.000 0.450 25 T N -0.373 114.191 114.554 0.015 0.000 2.622 25 T HA -0.179 4.170 4.350 -0.001 0.000 0.266 25 T C 1.901 176.620 174.700 0.032 0.000 1.047 25 T CA 1.615 63.726 62.100 0.018 0.000 1.159 25 T CB -0.274 68.603 68.868 0.015 0.000 0.863 25 T HN 0.452 nan 8.240 nan 0.000 0.422 26 E N 1.005 121.230 120.200 0.043 0.000 2.150 26 E HA 0.060 4.409 4.350 -0.001 0.000 0.193 26 E C 2.330 178.989 176.600 0.097 0.000 0.985 26 E CA 0.486 56.925 56.400 0.065 0.000 0.814 26 E CB -0.481 29.267 29.700 0.081 0.000 0.752 26 E HN 0.448 nan 8.360 nan 0.000 0.466 27 L N 1.243 122.525 121.223 0.098 0.000 2.056 27 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 27 L C 2.523 179.481 176.870 0.146 0.000 1.078 27 L CA 1.500 56.422 54.840 0.137 0.000 0.749 27 L CB -0.351 41.763 42.059 0.092 0.000 0.901 27 L HN 0.169 nan 8.230 nan 0.000 0.433 28 K N 0.432 120.885 120.400 0.088 0.000 2.116 28 K HA -0.206 4.113 4.320 -0.001 0.000 0.203 28 K C 2.061 178.733 176.600 0.121 0.000 1.052 28 K CA 1.168 57.510 56.287 0.092 0.000 0.952 28 K CB -0.291 32.213 32.500 0.007 0.000 0.729 28 K HN 0.134 nan 8.250 nan 0.000 0.446 29 K N 1.408 121.849 120.400 0.068 0.000 2.074 29 K HA -0.209 4.111 4.320 -0.001 0.000 0.209 29 K C 1.834 178.446 176.600 0.021 0.000 1.048 29 K CA 1.978 58.282 56.287 0.028 0.000 0.926 29 K CB -0.135 32.370 32.500 0.008 0.000 0.713 29 K HN 0.077 nan 8.250 nan 0.000 0.444 30 N N -0.149 118.593 118.700 0.069 0.000 2.120 30 N HA -0.145 4.594 4.740 -0.001 0.000 0.188 30 N C 1.437 177.011 175.510 0.108 0.000 1.024 30 N CA 1.279 54.360 53.050 0.053 0.000 0.852 30 N CB -0.328 38.246 38.487 0.146 0.000 1.003 30 N HN 0.266 nan 8.380 nan 0.000 0.424 31 F N 1.280 121.277 119.950 0.078 0.000 2.171 31 F HA -0.094 4.433 4.527 -0.001 0.000 0.300 31 F C 1.912 177.763 175.800 0.086 0.000 1.090 31 F CA 1.186 59.258 58.000 0.119 0.000 1.293 31 F CB -0.184 38.873 39.000 0.094 0.000 1.013 31 F HN 0.058 nan 8.300 nan 0.000 0.486 32 N N 0.564 119.386 118.700 0.202 0.000 2.216 32 N HA -0.106 4.633 4.740 -0.001 0.000 0.183 32 N C 1.968 177.397 175.510 -0.136 0.000 1.017 32 N CA 0.974 54.080 53.050 0.093 0.000 0.861 32 N CB -0.298 38.214 38.487 0.042 0.000 0.986 32 N HN 0.371 nan 8.380 nan 0.000 0.428 33 R N 0.027 120.343 120.500 -0.307 0.000 2.096 33 R HA -0.122 4.217 4.340 -0.001 0.000 0.240 33 R C 1.903 177.930 176.300 -0.455 0.000 1.139 33 R CA 1.482 57.234 56.100 -0.579 0.000 0.952 33 R CB -0.422 29.572 30.300 -0.511 0.000 0.854 33 R HN 0.496 nan 8.270 nan 0.000 0.436 34 H N -0.330 118.607 119.070 -0.222 0.000 2.363 34 H HA -0.071 4.485 4.556 -0.001 0.000 0.301 34 H C 1.996 177.163 175.328 -0.268 0.000 1.074 34 H CA 1.108 57.012 56.048 -0.240 0.000 1.354 34 H CB 0.068 29.690 29.762 -0.234 0.000 1.397 34 H HN 0.040 nan 8.280 nan 0.000 0.516 35 L N 0.120 121.215 121.223 -0.214 0.000 2.042 35 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 35 L C 1.644 178.348 176.870 -0.276 0.000 1.076 35 L CA 1.896 56.559 54.840 -0.294 0.000 0.749 35 L CB -0.149 41.691 42.059 -0.365 0.000 0.893 35 L HN 0.317 nan 8.230 nan 0.000 0.432 36 H N -2.926 116.052 119.070 -0.155 0.000 2.418 36 H HA 0.086 4.642 4.556 -0.001 0.000 0.300 36 H C 1.480 176.920 175.328 0.186 0.000 1.041 36 H CA 1.438 57.460 56.048 -0.043 0.000 1.364 36 H CB 0.019 29.700 29.762 -0.135 0.000 1.439 36 H HN 0.186 nan 8.280 nan 0.000 0.540 37 F N -0.341 119.617 119.950 0.014 0.000 2.437 37 F HA 0.102 4.629 4.527 -0.001 0.000 0.288 37 F C 2.213 177.962 175.800 -0.084 0.000 1.085 37 F CA 0.738 58.712 58.000 -0.043 0.000 1.430 37 F CB -0.751 38.208 39.000 -0.070 0.000 1.120 37 F HN 0.026 nan 8.300 nan 0.000 0.556 38 T N 0.552 115.155 114.554 0.082 0.000 2.770 38 T HA -0.025 4.325 4.350 -0.001 0.000 0.258 38 T C 1.907 176.531 174.700 -0.126 0.000 1.039 38 T CA 0.901 62.961 62.100 -0.068 0.000 1.143 38 T CB -0.279 68.486 68.868 -0.171 0.000 0.866 38 T HN -0.065 nan 8.240 nan 0.000 0.428 39 L N 0.987 122.134 121.223 -0.127 0.000 2.509 39 L HA 0.256 4.595 4.340 -0.001 0.000 0.222 39 L C 0.776 177.589 176.870 -0.095 0.000 1.123 39 L CA 0.389 55.146 54.840 -0.139 0.000 0.856 39 L CB -0.744 41.227 42.059 -0.147 0.000 0.985 39 L HN 0.066 nan 8.230 nan 0.000 0.456 40 V N -0.156 119.731 119.914 -0.046 0.000 5.820 40 V HA -0.302 3.818 4.120 -0.001 0.000 0.300 40 V C 0.585 176.649 176.094 -0.050 0.000 0.585 40 V CA 0.855 63.147 62.300 -0.013 0.000 0.629 40 V CB -2.099 29.713 31.823 -0.017 0.000 0.291 40 V HN 0.381 nan 8.190 nan 0.000 0.887 41 K N 0.877 121.209 120.400 -0.112 0.000 2.349 41 K HA 0.837 5.156 4.320 -0.001 0.000 0.243 41 K C -0.303 176.139 176.600 -0.263 0.000 1.058 41 K CA -0.310 55.878 56.287 -0.164 0.000 0.871 41 K CB 2.466 34.839 32.500 -0.212 0.000 1.337 41 K HN 0.474 nan 8.250 nan 0.000 0.469 42 D N -1.915 118.356 120.400 -0.214 0.000 2.732 42 D HA 0.204 4.843 4.640 -0.001 0.000 0.292 42 D C 0.603 176.845 176.300 -0.096 0.000 1.135 42 D CA -0.721 53.157 54.000 -0.204 0.000 1.071 42 D CB 0.487 41.315 40.800 0.046 0.000 1.457 42 D HN 0.456 nan 8.370 nan 0.000 0.547 43 R N -0.054 120.480 120.500 0.057 0.000 2.189 43 R HA 0.058 4.397 4.340 -0.001 0.000 0.218 43 R C 0.887 177.239 176.300 0.087 0.000 1.074 43 R CA 1.192 57.376 56.100 0.139 0.000 0.991 43 R CB -0.856 29.566 30.300 0.202 0.000 0.883 43 R HN 0.349 nan 8.270 nan 0.000 0.457 44 N N 0.297 119.029 118.700 0.053 0.000 2.223 44 N HA -0.106 4.634 4.740 -0.001 0.000 0.185 44 N C 1.248 176.764 175.510 0.010 0.000 1.016 44 N CA 1.304 54.376 53.050 0.036 0.000 0.863 44 N CB 0.175 38.681 38.487 0.033 0.000 0.983 44 N HN 0.005 nan 8.380 nan 0.000 0.429 45 V N 0.238 120.139 119.914 -0.022 0.000 3.379 45 V HA 0.268 4.387 4.120 -0.001 0.000 0.249 45 V C 0.566 176.603 176.094 -0.094 0.000 1.184 45 V CA -0.014 62.259 62.300 -0.045 0.000 1.106 45 V CB -0.017 31.779 31.823 -0.045 0.000 0.826 45 V HN 0.233 nan 8.190 nan 0.000 0.465 46 A N 1.726 124.448 122.820 -0.164 0.000 2.548 46 A HA 0.378 4.697 4.320 -0.001 0.000 0.247 46 A C 0.802 178.195 177.584 -0.318 0.000 1.067 46 A CA 0.772 52.595 52.037 -0.356 0.000 0.757 46 A CB -0.311 18.272 19.000 -0.695 0.000 0.996 46 A HN 0.550 nan 8.150 nan 0.000 0.504 47 T N 1.129 115.521 114.554 -0.269 0.000 2.902 47 T HA 0.507 4.857 4.350 -0.001 0.000 0.280 47 T C -1.822 172.782 174.700 -0.160 0.000 0.992 47 T CA -1.658 60.353 62.100 -0.147 0.000 1.015 47 T CB 1.017 69.827 68.868 -0.098 0.000 1.044 47 T HN 0.288 nan 8.240 nan 0.000 0.520 48 P HA -0.194 nan 4.420 nan 0.000 0.217 48 P C 1.713 179.056 177.300 0.071 0.000 1.158 48 P CA 1.240 64.429 63.100 0.148 0.000 0.887 48 P CB -0.014 31.743 31.700 0.095 0.000 0.792 49 R N -0.132 120.342 120.500 -0.042 0.000 2.103 49 R HA -0.195 4.144 4.340 -0.001 0.000 0.242 49 R C 1.734 178.008 176.300 -0.043 0.000 1.142 49 R CA 2.105 58.137 56.100 -0.113 0.000 0.960 49 R CB -0.772 29.407 30.300 -0.202 0.000 0.858 49 R HN 0.176 nan 8.270 nan 0.000 0.439 50 D N -0.442 119.940 120.400 -0.029 0.000 2.104 50 D HA -0.203 4.437 4.640 -0.001 0.000 0.194 50 D C 1.832 178.112 176.300 -0.033 0.000 0.994 50 D CA 1.400 55.388 54.000 -0.021 0.000 0.830 50 D CB -0.459 40.193 40.800 -0.246 0.000 0.959 50 D HN 0.311 nan 8.370 nan 0.000 0.452 51 Y N 0.065 120.417 120.300 0.087 0.000 2.224 51 Y HA -0.209 4.340 4.550 -0.001 0.000 0.289 51 Y C 2.314 178.318 175.900 0.174 0.000 1.146 51 Y CA 0.329 58.536 58.100 0.178 0.000 1.182 51 Y CB -1.077 37.529 38.460 0.243 0.000 0.983 51 Y HN 0.108 nan 8.280 nan 0.000 0.524 52 Y N -0.476 119.890 120.300 0.109 0.000 2.145 52 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 52 Y C 1.941 177.783 175.900 -0.096 0.000 1.145 52 Y CA 1.310 59.384 58.100 -0.043 0.000 1.148 52 Y CB -1.025 37.289 38.460 -0.243 0.000 0.981 52 Y HN 0.003 nan 8.280 nan 0.000 0.507 53 F N 0.410 120.166 119.950 -0.323 0.000 2.171 53 F HA -0.122 4.404 4.527 -0.001 0.000 0.300 53 F C 2.640 178.256 175.800 -0.308 0.000 1.090 53 F CA 1.248 58.981 58.000 -0.444 0.000 1.293 53 F CB -1.272 37.632 39.000 -0.160 0.000 1.013 53 F HN 0.206 nan 8.300 nan 0.000 0.486 54 A N -0.449 122.323 122.820 -0.079 0.000 1.969 54 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 54 A C 2.099 179.569 177.584 -0.189 0.000 1.169 54 A CA 1.337 53.213 52.037 -0.269 0.000 0.635 54 A CB -0.889 17.684 19.000 -0.711 0.000 0.810 54 A HN 0.348 nan 8.150 nan 0.000 0.445 55 L N -0.546 120.697 121.223 0.033 0.000 2.131 55 L HA 0.145 4.485 4.340 -0.001 0.000 0.206 55 L C 2.548 179.397 176.870 -0.035 0.000 1.087 55 L CA 1.907 56.880 54.840 0.220 0.000 0.767 55 L CB -0.761 41.493 42.059 0.324 0.000 0.917 55 L HN 0.285 nan 8.230 nan 0.000 0.441 56 A N -0.910 121.691 122.820 -0.365 0.000 1.883 56 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 56 A C 2.132 179.317 177.584 -0.665 0.000 1.186 56 A CA 2.081 53.724 52.037 -0.658 0.000 0.624 56 A CB -1.127 17.133 19.000 -1.233 0.000 0.822 56 A HN 0.683 nan 8.150 nan 0.000 0.444 57 H N -1.043 117.686 119.070 -0.568 0.000 2.423 57 H HA -0.038 4.517 4.556 -0.001 0.000 0.297 57 H C 2.282 177.288 175.328 -0.537 0.000 1.075 57 H CA 1.809 57.432 56.048 -0.707 0.000 1.342 57 H CB -0.023 29.062 29.762 -1.127 0.000 1.395 57 H HN 0.466 nan 8.280 nan 0.000 0.530 58 T N -0.419 114.072 114.554 -0.105 0.000 2.777 58 T HA -0.109 4.240 4.350 -0.001 0.000 0.266 58 T C 2.202 177.047 174.700 0.243 0.000 1.040 58 T CA 1.185 63.410 62.100 0.208 0.000 1.141 58 T CB -0.279 68.786 68.868 0.330 0.000 0.868 58 T HN 0.105 nan 8.240 nan 0.000 0.444 59 V N 1.239 121.267 119.914 0.190 0.000 2.548 59 V HA -0.063 4.057 4.120 -0.001 0.000 0.249 59 V C 2.569 178.822 176.094 0.265 0.000 1.055 59 V CA 1.346 63.807 62.300 0.268 0.000 1.065 59 V CB -0.557 31.443 31.823 0.296 0.000 0.681 59 V HN 0.332 nan 8.190 nan 0.000 0.462 60 R N 0.027 120.610 120.500 0.139 0.000 2.073 60 R HA -0.145 4.194 4.340 -0.001 0.000 0.229 60 R C 2.064 178.415 176.300 0.085 0.000 1.120 60 R CA 1.622 57.796 56.100 0.123 0.000 0.967 60 R CB -0.285 29.960 30.300 -0.092 0.000 0.862 60 R HN 0.464 nan 8.270 nan 0.000 0.436 61 D N 0.012 120.437 120.400 0.042 0.000 2.157 61 D HA -0.203 4.436 4.640 -0.001 0.000 0.191 61 D C 1.756 178.006 176.300 -0.083 0.000 1.004 61 D CA 1.778 55.764 54.000 -0.025 0.000 0.854 61 D CB -0.504 40.256 40.800 -0.066 0.000 0.936 61 D HN 0.489 nan 8.370 nan 0.000 0.446 62 H N -0.340 118.792 119.070 0.105 0.000 2.423 62 H HA 0.093 4.648 4.556 -0.001 0.000 0.297 62 H C 2.181 177.563 175.328 0.090 0.000 1.075 62 H CA 0.334 56.435 56.048 0.088 0.000 1.342 62 H CB 0.002 29.810 29.762 0.077 0.000 1.395 62 H HN 0.065 nan 8.280 nan 0.000 0.530 63 L N 0.666 122.011 121.223 0.203 0.000 2.056 63 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 63 L C 2.352 179.320 176.870 0.163 0.000 1.078 63 L CA 1.438 56.375 54.840 0.162 0.000 0.749 63 L CB -0.159 41.996 42.059 0.161 0.000 0.901 63 L HN 0.385 nan 8.230 nan 0.000 0.433 64 V N -2.820 117.175 119.914 0.136 0.000 2.788 64 V HA 0.056 4.176 4.120 -0.001 0.000 0.251 64 V C 2.260 178.491 176.094 0.230 0.000 1.068 64 V CA 1.281 63.687 62.300 0.177 0.000 1.090 64 V CB -0.873 30.991 31.823 0.069 0.000 0.710 64 V HN 0.386 nan 8.190 nan 0.000 0.467 65 G N 1.012 109.896 108.800 0.141 0.000 2.529 65 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.219 65 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.219 65 G C 1.758 176.731 174.900 0.121 0.000 1.177 65 G CA 1.227 46.395 45.100 0.113 0.000 0.773 65 G HN 0.550 nan 8.290 nan 0.000 0.573 66 R N -1.329 119.247 120.500 0.126 0.000 2.115 66 R HA -0.060 4.280 4.340 -0.001 0.000 0.230 66 R C 2.260 178.618 176.300 0.098 0.000 1.111 66 R CA 1.062 57.214 56.100 0.085 0.000 0.976 66 R CB -0.355 29.985 30.300 0.067 0.000 0.870 66 R HN 0.568 nan 8.270 nan 0.000 0.445 67 W N 1.767 123.059 121.300 -0.014 0.000 2.354 67 W HA -0.149 4.510 4.660 -0.001 0.000 0.315 67 W C 1.711 178.218 176.519 -0.020 0.000 1.206 67 W CA 1.154 58.486 57.345 -0.023 0.000 1.290 67 W CB -0.093 29.369 29.460 0.004 0.000 1.152 67 W HN -0.130 nan 8.180 nan 0.000 0.489 68 I N 1.043 121.716 120.570 0.171 0.000 2.194 68 I HA -0.332 3.837 4.170 -0.001 0.000 0.246 68 I C 2.330 178.379 176.117 -0.113 0.000 1.093 68 I CA 1.627 62.925 61.300 -0.003 0.000 1.355 68 I CB -1.480 36.595 38.000 0.125 0.000 1.046 68 I HN 0.066 nan 8.210 nan 0.000 0.413 69 R N 0.513 120.972 120.500 -0.068 0.000 2.092 69 R HA -0.061 4.278 4.340 -0.001 0.000 0.231 69 R C 2.311 178.506 176.300 -0.175 0.000 1.119 69 R CA 1.339 57.392 56.100 -0.079 0.000 0.970 69 R CB -1.383 28.887 30.300 -0.050 0.000 0.864 69 R HN 0.367 nan 8.270 nan 0.000 0.440 70 T N 1.636 116.010 114.554 -0.301 0.000 2.737 70 T HA -0.097 4.253 4.350 -0.001 0.000 0.265 70 T C 1.737 175.985 174.700 -0.752 0.000 1.038 70 T CA 1.019 62.800 62.100 -0.533 0.000 1.144 70 T CB -0.007 68.551 68.868 -0.517 0.000 0.866 70 T HN 0.146 nan 8.240 nan 0.000 0.434 71 Q N 1.257 120.677 119.800 -0.633 0.000 2.119 71 Q HA -0.030 4.310 4.340 -0.001 0.000 0.201 71 Q C 2.407 178.393 176.000 -0.023 0.000 0.972 71 Q CA 1.249 56.798 55.803 -0.424 0.000 0.847 71 Q CB -0.504 27.882 28.738 -0.586 0.000 0.903 71 Q HN 0.631 nan 8.270 nan 0.000 0.433 72 Q N -0.175 119.617 119.800 -0.013 0.000 2.014 72 Q HA -0.251 4.088 4.340 -0.001 0.000 0.207 72 Q C 2.074 178.214 176.000 0.233 0.000 0.993 72 Q CA 1.870 57.812 55.803 0.232 0.000 0.850 72 Q CB -0.389 28.476 28.738 0.212 0.000 0.916 72 Q HN 0.527 nan 8.270 nan 0.000 0.417 73 H N -0.614 118.416 119.070 -0.067 0.000 2.394 73 H HA -0.223 4.332 4.556 -0.001 0.000 0.297 73 H C 1.517 176.868 175.328 0.039 0.000 1.113 73 H CA 2.044 58.032 56.048 -0.100 0.000 1.277 73 H CB -0.055 29.587 29.762 -0.200 0.000 1.370 73 H HN 0.300 nan 8.280 nan 0.000 0.506 74 Y N -1.028 119.270 120.300 -0.004 0.000 2.200 74 Y HA -0.168 4.381 4.550 -0.001 0.000 0.290 74 Y C 2.178 177.985 175.900 -0.156 0.000 1.137 74 Y CA 0.973 58.998 58.100 -0.126 0.000 1.163 74 Y CB -1.189 37.181 38.460 -0.150 0.000 0.988 74 Y HN 0.344 nan 8.280 nan 0.000 0.518 75 Y N 0.668 121.087 120.300 0.199 0.000 2.421 75 Y HA -0.166 4.384 4.550 -0.001 0.000 0.292 75 Y C 2.180 178.207 175.900 0.212 0.000 1.136 75 Y CA 1.474 59.704 58.100 0.215 0.000 1.255 75 Y CB -0.168 38.441 38.460 0.248 0.000 0.991 75 Y HN 0.371 nan 8.280 nan 0.000 0.552 76 E N -1.442 118.854 120.200 0.161 0.000 2.307 76 E HA -0.008 4.341 4.350 -0.001 0.000 0.195 76 E C 1.635 178.132 176.600 -0.173 0.000 0.975 76 E CA 0.283 56.605 56.400 -0.130 0.000 0.878 76 E CB 0.067 29.364 29.700 -0.672 0.000 0.845 76 E HN -0.035 nan 8.360 nan 0.000 0.488 77 K N 0.961 121.227 120.400 -0.223 0.000 2.262 77 K HA -0.009 4.310 4.320 -0.001 0.000 0.200 77 K C -0.065 176.465 176.600 -0.115 0.000 1.049 77 K CA 0.774 56.932 56.287 -0.215 0.000 0.979 77 K CB -0.263 32.025 32.500 -0.352 0.000 0.773 77 K HN 0.123 nan 8.250 nan 0.000 0.474 78 D N 0.831 121.176 120.400 -0.091 0.000 2.737 78 D HA -0.118 4.521 4.640 -0.001 0.000 0.238 78 D C -2.390 173.855 176.300 -0.092 0.000 1.157 78 D CA 0.156 54.104 54.000 -0.085 0.000 0.694 78 D CB -0.168 40.599 40.800 -0.055 0.000 1.021 78 D HN 0.158 nan 8.370 nan 0.000 0.420 79 P HA 0.136 nan 4.420 nan 0.000 0.279 79 P C -0.231 176.988 177.300 -0.135 0.000 1.276 79 P CA -0.660 62.366 63.100 -0.123 0.000 0.801 79 P CB 0.588 32.189 31.700 -0.165 0.000 1.127 80 K N 1.404 121.738 120.400 -0.111 0.000 2.412 80 K HA 0.057 4.377 4.320 -0.001 0.000 0.284 80 K C -0.138 176.354 176.600 -0.181 0.000 1.046 80 K CA -0.017 56.202 56.287 -0.112 0.000 0.999 80 K CB 0.102 32.560 32.500 -0.070 0.000 0.941 80 K HN 0.292 nan 8.250 nan 0.000 0.474 81 R N 4.138 124.535 120.500 -0.173 0.000 2.265 81 R HA 0.259 4.598 4.340 -0.001 0.000 0.314 81 R C -0.034 176.087 176.300 -0.299 0.000 1.053 81 R CA -0.480 55.472 56.100 -0.245 0.000 0.931 81 R CB 0.922 31.144 30.300 -0.130 0.000 1.024 81 R HN 0.575 nan 8.270 nan 0.000 0.457 82 I N 4.020 124.336 120.570 -0.423 0.000 2.339 82 I HA 0.248 4.417 4.170 -0.001 0.000 0.290 82 I C -1.362 174.533 176.117 -0.370 0.000 0.994 82 I CA -0.688 60.339 61.300 -0.454 0.000 1.191 82 I CB 0.807 38.334 38.000 -0.789 0.000 1.343 82 I HN 0.631 nan 8.210 nan 0.000 0.458 83 Y N 7.709 127.997 120.300 -0.020 0.000 2.417 83 Y HA 0.251 4.800 4.550 -0.001 0.000 0.336 83 Y C -0.533 175.487 175.900 0.200 0.000 0.961 83 Y CA -0.457 57.742 58.100 0.167 0.000 1.215 83 Y CB 0.838 39.333 38.460 0.060 0.000 1.120 83 Y HN 0.492 nan 8.280 nan 0.000 0.499 84 Y N 4.728 125.214 120.300 0.309 0.000 2.452 84 Y HA 0.401 4.950 4.550 -0.001 0.000 0.348 84 Y C -0.694 175.489 175.900 0.472 0.000 0.985 84 Y CA -0.556 57.745 58.100 0.336 0.000 1.214 84 Y CB 0.337 38.996 38.460 0.331 0.000 1.136 84 Y HN 0.457 nan 8.280 nan 0.000 0.523 85 L N 5.788 127.047 121.223 0.061 0.000 2.282 85 L HA 0.504 4.843 4.340 -0.001 0.000 0.288 85 L C -0.265 176.654 176.870 0.082 0.000 1.033 85 L CA -0.481 54.483 54.840 0.206 0.000 0.807 85 L CB 1.397 43.548 42.059 0.154 0.000 1.209 85 L HN 0.590 nan 8.230 nan 0.000 0.423 86 S N 2.533 118.363 115.700 0.217 0.000 2.537 86 S HA 0.445 4.914 4.470 -0.001 0.000 0.270 86 S C -0.135 174.544 174.600 0.130 0.000 1.142 86 S CA -0.532 57.685 58.200 0.028 0.000 0.870 86 S CB 1.667 64.640 63.200 -0.378 0.000 1.112 86 S HN 0.488 nan 8.310 nan 0.000 0.466 87 L N 2.597 123.910 121.223 0.149 0.000 2.592 87 L HA 0.506 4.845 4.340 -0.001 0.000 0.227 87 L C 0.448 177.458 176.870 0.233 0.000 1.127 87 L CA 0.869 55.849 54.840 0.233 0.000 0.884 87 L CB -0.117 42.052 42.059 0.185 0.000 1.065 87 L HN 0.664 nan 8.230 nan 0.000 0.457 88 E N -1.008 119.196 120.200 0.006 0.000 2.274 88 E HA 0.340 4.689 4.350 -0.001 0.000 0.269 88 E C -1.465 174.977 176.600 -0.263 0.000 0.891 88 E CA -0.376 56.005 56.400 -0.030 0.000 0.784 88 E CB 1.533 31.171 29.700 -0.103 0.000 1.225 88 E HN -0.159 nan 8.360 nan 0.000 0.412 89 F N 2.656 122.703 119.950 0.161 0.000 2.434 89 F HA 0.230 4.756 4.527 -0.001 0.000 0.355 89 F C -0.528 175.363 175.800 0.151 0.000 1.115 89 F CA -0.691 57.398 58.000 0.149 0.000 1.010 89 F CB 0.877 39.962 39.000 0.141 0.000 1.234 89 F HN 0.482 nan 8.300 nan 0.000 0.439 90 Y N 5.439 125.804 120.300 0.108 0.000 2.821 90 Y HA 0.229 4.778 4.550 -0.001 0.000 0.331 90 Y C 0.937 176.847 175.900 0.016 0.000 1.251 90 Y CA -1.058 57.054 58.100 0.021 0.000 1.494 90 Y CB 0.274 38.730 38.460 -0.007 0.000 1.493 90 Y HN 0.568 nan 8.280 nan 0.000 0.496 91 M N 0.860 120.543 119.600 0.139 0.000 2.288 91 M HA 0.092 4.572 4.480 -0.001 0.000 0.266 91 M C 1.551 177.777 176.300 -0.123 0.000 1.072 91 M CA 1.168 56.471 55.300 0.004 0.000 1.132 91 M CB -1.105 31.492 32.600 -0.004 0.000 1.386 91 M HN 0.669 nan 8.290 nan 0.000 0.432 92 G N 1.011 109.708 108.800 -0.171 0.000 2.553 92 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.242 92 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.242 92 G C -0.243 174.564 174.900 -0.155 0.000 1.277 92 G CA -0.350 44.617 45.100 -0.220 0.000 0.910 92 G HN 0.418 nan 8.290 nan 0.000 0.576 93 R N -0.773 119.630 120.500 -0.160 0.000 2.528 93 R HA 0.600 4.940 4.340 -0.001 0.000 0.271 93 R C 1.165 177.348 176.300 -0.196 0.000 1.056 93 R CA 0.252 56.284 56.100 -0.114 0.000 1.117 93 R CB 0.864 31.108 30.300 -0.093 0.000 1.085 93 R HN 0.540 nan 8.270 nan 0.000 0.530 94 T N 1.206 115.607 114.554 -0.254 0.000 3.018 94 T HA 0.049 4.399 4.350 -0.001 0.000 0.246 94 T C 1.565 175.950 174.700 -0.525 0.000 1.026 94 T CA -0.173 61.575 62.100 -0.587 0.000 1.081 94 T CB 0.164 68.257 68.868 -1.292 0.000 0.970 94 T HN 0.339 nan 8.240 nan 0.000 0.475 95 L N 1.481 122.615 121.223 -0.147 0.000 1.970 95 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 95 L C 2.549 179.432 176.870 0.021 0.000 1.071 95 L CA 1.985 56.897 54.840 0.119 0.000 0.751 95 L CB -0.585 41.761 42.059 0.479 0.000 0.889 95 L HN 0.330 nan 8.230 nan 0.000 0.432 96 Q N -0.337 119.462 119.800 -0.003 0.000 2.084 96 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 96 Q C 2.046 178.007 176.000 -0.065 0.000 0.978 96 Q CA 1.938 57.727 55.803 -0.022 0.000 0.844 96 Q CB -0.116 28.598 28.738 -0.040 0.000 0.898 96 Q HN 0.557 nan 8.270 nan 0.000 0.426 97 N N -0.934 117.689 118.700 -0.127 0.000 2.069 97 N HA -0.153 4.587 4.740 -0.001 0.000 0.191 97 N C 1.462 176.905 175.510 -0.112 0.000 1.031 97 N CA 1.930 54.895 53.050 -0.140 0.000 0.852 97 N CB 0.010 38.375 38.487 -0.203 0.000 1.018 97 N HN 0.216 nan 8.380 nan 0.000 0.423 98 T N 1.304 115.761 114.554 -0.161 0.000 2.788 98 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 98 T C 2.048 176.731 174.700 -0.030 0.000 1.044 98 T CA 1.094 63.124 62.100 -0.117 0.000 1.139 98 T CB -0.066 68.687 68.868 -0.192 0.000 0.867 98 T HN 0.279 nan 8.240 nan 0.000 0.454 99 M N 0.879 120.474 119.600 -0.007 0.000 2.132 99 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 99 M C 2.692 178.989 176.300 -0.005 0.000 1.065 99 M CA 1.264 56.571 55.300 0.011 0.000 1.122 99 M CB -0.576 32.043 32.600 0.032 0.000 1.365 99 M HN 0.296 nan 8.290 nan 0.000 0.411 100 V N -0.585 119.329 119.914 0.000 0.000 2.358 100 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 100 V C 1.672 177.790 176.094 0.040 0.000 1.047 100 V CA 2.204 64.525 62.300 0.035 0.000 1.035 100 V CB -0.902 30.956 31.823 0.059 0.000 0.658 100 V HN 0.381 nan 8.190 nan 0.000 0.452 101 N N 0.640 119.360 118.700 0.035 0.000 2.223 101 N HA -0.031 4.709 4.740 -0.001 0.000 0.185 101 N C 1.325 176.753 175.510 -0.135 0.000 1.016 101 N CA 1.486 54.531 53.050 -0.007 0.000 0.863 101 N CB -0.529 37.981 38.487 0.038 0.000 0.983 101 N HN 0.428 nan 8.380 nan 0.000 0.429 102 L N 0.117 121.292 121.223 -0.080 0.000 2.591 102 L HA 0.323 4.662 4.340 -0.001 0.000 0.228 102 L C 0.604 177.410 176.870 -0.107 0.000 1.133 102 L CA -0.067 54.724 54.840 -0.082 0.000 0.880 102 L CB -1.195 40.851 42.059 -0.023 0.000 1.033 102 L HN 0.181 nan 8.230 nan 0.000 0.450 103 A N -0.873 121.879 122.820 -0.113 0.000 2.846 103 A HA -0.211 4.109 4.320 -0.001 0.000 0.287 103 A C 1.040 178.580 177.584 -0.072 0.000 1.469 103 A CA 0.868 52.847 52.037 -0.098 0.000 0.757 103 A CB -1.964 16.960 19.000 -0.127 0.000 1.033 103 A HN 0.231 nan 8.150 nan 0.000 0.516 104 L N -0.809 120.381 121.223 -0.055 0.000 2.731 104 L HA 0.243 4.582 4.340 -0.001 0.000 0.240 104 L C 1.888 178.743 176.870 -0.025 0.000 1.120 104 L CA 1.466 56.273 54.840 -0.054 0.000 0.913 104 L CB -0.116 41.909 42.059 -0.057 0.000 1.213 104 L HN 0.653 nan 8.230 nan 0.000 0.515 105 E N 0.272 120.464 120.200 -0.013 0.000 2.049 105 E HA -0.293 4.057 4.350 -0.001 0.000 0.198 105 E C 1.627 178.222 176.600 -0.009 0.000 1.007 105 E CA 2.033 58.432 56.400 -0.002 0.000 0.809 105 E CB 0.156 29.856 29.700 0.000 0.000 0.749 105 E HN 0.439 nan 8.360 nan 0.000 0.450 106 N N 0.170 118.859 118.700 -0.019 0.000 2.069 106 N HA -0.182 4.557 4.740 -0.001 0.000 0.191 106 N C 1.597 177.092 175.510 -0.024 0.000 1.031 106 N CA 1.795 54.831 53.050 -0.024 0.000 0.852 106 N CB -0.451 38.019 38.487 -0.027 0.000 1.018 106 N HN 0.337 nan 8.380 nan 0.000 0.423 107 A N -0.078 122.726 122.820 -0.027 0.000 1.877 107 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 107 A C 2.508 180.084 177.584 -0.013 0.000 1.186 107 A CA 1.331 53.353 52.037 -0.025 0.000 0.620 107 A CB -1.088 17.887 19.000 -0.041 0.000 0.822 107 A HN 0.476 nan 8.150 nan 0.000 0.443 108 C N -0.815 118.482 119.300 -0.005 0.000 2.429 108 C HA -0.087 4.373 4.460 -0.001 0.000 0.277 108 C C 2.489 177.480 174.990 0.002 0.000 1.262 108 C CA 1.265 60.289 59.018 0.011 0.000 1.733 108 C CB -1.212 26.550 27.740 0.038 0.000 2.010 108 C HN 0.763 nan 8.230 nan 0.000 0.483 109 D N 0.588 120.990 120.400 0.003 0.000 2.133 109 D HA -0.186 4.453 4.640 -0.001 0.000 0.195 109 D C 2.080 178.391 176.300 0.019 0.000 0.997 109 D CA 1.809 55.811 54.000 0.004 0.000 0.840 109 D CB -0.182 40.608 40.800 -0.015 0.000 0.947 109 D HN 0.513 nan 8.370 nan 0.000 0.452 110 E N -0.153 120.051 120.200 0.006 0.000 2.046 110 E HA -0.001 4.349 4.350 -0.001 0.000 0.190 110 E C 1.897 178.535 176.600 0.062 0.000 0.982 110 E CA 1.388 57.810 56.400 0.035 0.000 0.800 110 E CB -0.610 29.091 29.700 0.002 0.000 0.756 110 E HN 0.247 nan 8.360 nan 0.000 0.449 111 A N 0.094 122.917 122.820 0.005 0.000 1.873 111 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 111 A C 2.535 180.048 177.584 -0.117 0.000 1.193 111 A CA 3.205 55.217 52.037 -0.042 0.000 0.629 111 A CB -1.666 17.309 19.000 -0.042 0.000 0.826 111 A HN 0.531 nan 8.150 nan 0.000 0.447 112 T N -3.683 110.788 114.554 -0.139 0.000 2.788 112 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 112 T C 1.843 176.455 174.700 -0.146 0.000 1.044 112 T CA 1.610 63.566 62.100 -0.240 0.000 1.139 112 T CB -0.623 68.140 68.868 -0.175 0.000 0.867 112 T HN 0.464 nan 8.240 nan 0.000 0.454 113 Y N 2.260 122.477 120.300 -0.139 0.000 2.128 113 Y HA -0.129 4.420 4.550 -0.001 0.000 0.284 113 Y C 2.657 178.496 175.900 -0.102 0.000 1.154 113 Y CA 1.709 59.747 58.100 -0.102 0.000 1.149 113 Y CB -0.512 37.907 38.460 -0.069 0.000 0.976 113 Y HN 0.261 nan 8.280 nan 0.000 0.505 114 Q N -0.387 119.354 119.800 -0.098 0.000 2.364 114 Q HA -0.068 4.272 4.340 -0.001 0.000 0.207 114 Q C 1.606 177.487 176.000 -0.199 0.000 0.970 114 Q CA 1.014 56.725 55.803 -0.153 0.000 0.888 114 Q CB -0.005 28.712 28.738 -0.034 0.000 0.951 114 Q HN 0.518 nan 8.270 nan 0.000 0.469 115 L N -1.153 119.934 121.223 -0.228 0.000 2.628 115 L HA 0.218 4.558 4.340 -0.001 0.000 0.229 115 L C 1.001 177.717 176.870 -0.257 0.000 1.137 115 L CA 0.262 54.962 54.840 -0.234 0.000 0.909 115 L CB 0.358 42.227 42.059 -0.316 0.000 1.137 115 L HN 0.343 nan 8.230 nan 0.000 0.470 116 G N -0.233 108.394 108.800 -0.288 0.000 2.176 116 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.253 116 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.253 116 G C 0.082 174.839 174.900 -0.239 0.000 0.979 116 G CA -0.294 44.648 45.100 -0.262 0.000 0.641 116 G HN 0.077 nan 8.290 nan 0.000 0.530 117 L N 0.731 121.798 121.223 -0.260 0.000 2.375 117 L HA 0.705 5.044 4.340 -0.001 0.000 0.268 117 L C -0.108 176.705 176.870 -0.095 0.000 1.058 117 L CA -0.628 54.084 54.840 -0.214 0.000 0.803 117 L CB 1.422 43.302 42.059 -0.299 0.000 1.212 117 L HN 0.262 nan 8.230 nan 0.000 0.451 118 D N 1.408 121.786 120.400 -0.037 0.000 2.381 118 D HA 0.227 4.867 4.640 -0.001 0.000 0.235 118 D C 0.791 177.110 176.300 0.033 0.000 1.068 118 D CA -0.363 53.651 54.000 0.023 0.000 0.832 118 D CB 1.137 41.958 40.800 0.035 0.000 1.101 118 D HN 0.506 nan 8.370 nan 0.000 0.515 119 M N 2.648 122.272 119.600 0.040 0.000 2.213 119 M HA -0.098 4.382 4.480 -0.001 0.000 0.263 119 M C 1.303 177.640 176.300 0.062 0.000 1.062 119 M CA 1.405 56.737 55.300 0.053 0.000 1.105 119 M CB 0.213 32.840 32.600 0.046 0.000 1.385 119 M HN 0.502 nan 8.290 nan 0.000 0.417 120 E N -0.200 120.028 120.200 0.048 0.000 2.110 120 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 120 E C 1.815 178.441 176.600 0.044 0.000 0.988 120 E CA 1.130 57.555 56.400 0.042 0.000 0.804 120 E CB -0.086 29.636 29.700 0.037 0.000 0.745 120 E HN 0.614 nan 8.360 nan 0.000 0.458 121 E N 0.630 120.858 120.200 0.048 0.000 2.031 121 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 121 E C 2.248 178.875 176.600 0.046 0.000 0.994 121 E CA 0.838 57.266 56.400 0.046 0.000 0.800 121 E CB -0.005 29.725 29.700 0.050 0.000 0.752 121 E HN 0.218 nan 8.360 nan 0.000 0.447 122 L N 0.547 121.818 121.223 0.081 0.000 2.083 122 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 122 L C 2.322 179.239 176.870 0.079 0.000 1.083 122 L CA 1.209 56.127 54.840 0.129 0.000 0.752 122 L CB -0.543 41.648 42.059 0.221 0.000 0.899 122 L HN 0.158 nan 8.230 nan 0.000 0.433 123 E N 0.037 120.282 120.200 0.075 0.000 2.085 123 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 123 E C 1.971 178.536 176.600 -0.060 0.000 0.994 123 E CA 0.951 57.371 56.400 0.033 0.000 0.801 123 E CB 0.059 29.785 29.700 0.042 0.000 0.743 123 E HN 0.348 nan 8.360 nan 0.000 0.453 124 E N 0.154 120.331 120.200 -0.039 0.000 2.478 124 E HA -0.075 4.275 4.350 -0.001 0.000 0.198 124 E C 1.729 178.274 176.600 -0.092 0.000 1.046 124 E CA 0.455 56.831 56.400 -0.039 0.000 0.870 124 E CB 0.136 29.843 29.700 0.012 0.000 0.818 124 E HN 0.418 nan 8.360 nan 0.000 0.527 125 I N 0.474 120.931 120.570 -0.188 0.000 3.030 125 I HA -0.048 4.122 4.170 -0.001 0.000 0.270 125 I C 1.199 177.055 176.117 -0.434 0.000 1.211 125 I CA 0.086 61.221 61.300 -0.274 0.000 1.479 125 I CB 0.127 37.960 38.000 -0.279 0.000 1.105 125 I HN -0.018 nan 8.210 nan 0.000 0.447 126 E N 3.076 122.926 120.200 -0.583 0.000 2.366 126 E HA -0.016 4.334 4.350 -0.001 0.000 0.266 126 E C -0.251 176.274 176.600 -0.125 0.000 1.015 126 E CA -0.306 55.791 56.400 -0.506 0.000 0.906 126 E CB 0.676 30.143 29.700 -0.387 0.000 0.979 126 E HN 0.094 nan 8.360 nan 0.000 0.443 127 E N 3.627 123.842 120.200 0.024 0.000 2.373 127 E HA 0.038 4.387 4.350 -0.001 0.000 0.267 127 E C -0.752 175.929 176.600 0.136 0.000 1.032 127 E CA -0.056 56.427 56.400 0.138 0.000 0.889 127 E CB 0.545 30.424 29.700 0.298 0.000 0.984 127 E HN 0.503 nan 8.360 nan 0.000 0.425 128 D N 0.848 121.283 120.400 0.058 0.000 2.458 128 D HA 0.145 4.784 4.640 -0.001 0.000 0.243 128 D C -0.253 175.985 176.300 -0.105 0.000 1.146 128 D CA 0.236 54.218 54.000 -0.030 0.000 0.877 128 D CB 0.502 41.261 40.800 -0.069 0.000 1.176 128 D HN 0.427 nan 8.370 nan 0.000 0.461 129 A N 2.887 125.586 122.820 -0.202 0.000 2.537 129 A HA 0.353 4.673 4.320 -0.001 0.000 0.260 129 A C 1.214 178.254 177.584 -0.907 0.000 1.082 129 A CA 0.075 51.701 52.037 -0.685 0.000 0.765 129 A CB 0.039 18.818 19.000 -0.369 0.000 1.019 129 A HN 0.630 nan 8.150 nan 0.000 0.507 130 G N 1.934 109.629 108.800 -1.841 0.000 3.197 130 G HA2 0.394 4.353 3.960 -0.001 0.000 0.257 130 G HA3 0.394 4.353 3.960 -0.001 0.000 0.257 130 G C 0.257 174.837 174.900 -0.535 0.000 0.835 130 G CA -0.122 44.359 45.100 -1.030 0.000 2.001 130 G HN 0.540 nan 8.290 nan 0.000 0.625 131 L N 0.110 121.157 121.223 -0.293 0.000 2.878 131 L HA 0.394 4.734 4.340 -0.001 0.000 0.253 131 L C 1.274 178.183 176.870 0.064 0.000 1.135 131 L CA 0.213 55.074 54.840 0.034 0.000 0.943 131 L CB 0.268 42.370 42.059 0.072 0.000 1.307 131 L HN 0.337 nan 8.230 nan 0.000 0.545 132 G N -1.387 107.319 108.800 -0.157 0.000 2.798 132 G HA2 0.401 4.361 3.960 -0.001 0.000 0.286 132 G HA3 0.401 4.361 3.960 -0.001 0.000 0.286 132 G C -0.020 174.294 174.900 -0.977 0.000 1.389 132 G CA -0.021 44.793 45.100 -0.476 0.000 0.894 132 G HN -0.054 nan 8.290 nan 0.000 0.488 133 N N -2.105 116.014 118.700 -0.968 0.000 2.804 133 N HA 0.307 5.047 4.740 -0.001 0.000 0.250 133 N C 0.933 176.117 175.510 -0.544 0.000 1.024 133 N CA 1.273 53.894 53.050 -0.714 0.000 0.995 133 N CB 0.662 38.948 38.487 -0.336 0.000 1.690 133 N HN 0.843 nan 8.380 nan 0.000 0.515 134 G N -1.329 107.300 108.800 -0.285 0.000 3.137 134 G HA2 0.399 4.359 3.960 -0.001 0.000 0.196 134 G HA3 0.399 4.359 3.960 -0.001 0.000 0.196 134 G C 0.661 175.609 174.900 0.079 0.000 1.135 134 G CA 0.081 45.185 45.100 0.007 0.000 0.803 134 G HN 0.266 nan 8.290 nan 0.000 0.619 135 G N -0.088 108.744 108.800 0.054 0.000 2.446 135 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.217 135 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.217 135 G C 1.735 176.604 174.900 -0.052 0.000 1.168 135 G CA 1.337 46.448 45.100 0.019 0.000 0.771 135 G HN 0.420 nan 8.290 nan 0.000 0.551 136 L N 1.711 122.862 121.223 -0.120 0.000 2.021 136 L HA -0.072 4.267 4.340 -0.001 0.000 0.215 136 L C 2.654 179.433 176.870 -0.153 0.000 1.074 136 L CA 2.710 57.407 54.840 -0.238 0.000 0.760 136 L CB -1.392 40.547 42.059 -0.200 0.000 0.889 136 L HN 0.266 nan 8.230 nan 0.000 0.433 137 G N -1.136 107.610 108.800 -0.090 0.000 2.430 137 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 137 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 137 G C 1.769 176.723 174.900 0.090 0.000 1.146 137 G CA 0.608 45.678 45.100 -0.051 0.000 0.793 137 G HN 0.437 nan 8.290 nan 0.000 0.537 138 R N -0.361 120.237 120.500 0.164 0.000 2.119 138 R HA 0.192 4.531 4.340 -0.001 0.000 0.222 138 R C 2.271 178.588 176.300 0.029 0.000 1.088 138 R CA 0.620 56.821 56.100 0.168 0.000 0.984 138 R CB -0.522 29.894 30.300 0.193 0.000 0.884 138 R HN 0.250 nan 8.270 nan 0.000 0.447 139 L N 0.775 121.938 121.223 -0.100 0.000 2.013 139 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 139 L C 2.306 178.857 176.870 -0.532 0.000 1.073 139 L CA 2.258 56.876 54.840 -0.369 0.000 0.753 139 L CB -0.750 41.067 42.059 -0.403 0.000 0.890 139 L HN 0.351 nan 8.230 nan 0.000 0.432 140 A N -0.733 121.930 122.820 -0.262 0.000 1.892 140 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 140 A C 2.438 180.076 177.584 0.090 0.000 1.188 140 A CA 2.311 54.281 52.037 -0.112 0.000 0.631 140 A CB -1.277 17.644 19.000 -0.132 0.000 0.822 140 A HN 0.585 nan 8.150 nan 0.000 0.447 141 A N -1.349 121.564 122.820 0.155 0.000 1.898 141 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 141 A C 2.320 179.985 177.584 0.135 0.000 1.181 141 A CA 1.632 53.777 52.037 0.181 0.000 0.620 141 A CB -1.239 17.856 19.000 0.159 0.000 0.819 141 A HN 0.613 nan 8.150 nan 0.000 0.442 142 C N -1.479 117.905 119.300 0.140 0.000 2.429 142 C HA -0.062 4.398 4.460 -0.001 0.000 0.277 142 C C 2.429 177.604 174.990 0.308 0.000 1.262 142 C CA 0.666 59.811 59.018 0.212 0.000 1.733 142 C CB -1.574 26.312 27.740 0.244 0.000 2.010 142 C HN 0.612 nan 8.230 nan 0.000 0.483 143 F N 1.260 121.212 119.950 0.003 0.000 2.102 143 F HA -0.085 4.441 4.527 -0.001 0.000 0.298 143 F C 2.283 178.041 175.800 -0.070 0.000 1.105 143 F CA 1.019 58.972 58.000 -0.078 0.000 1.239 143 F CB -1.497 37.328 39.000 -0.292 0.000 0.991 143 F HN 0.177 nan 8.300 nan 0.000 0.474 144 L N -0.252 121.056 121.223 0.143 0.000 2.021 144 L HA -0.293 4.047 4.340 -0.001 0.000 0.215 144 L C 2.414 179.317 176.870 0.055 0.000 1.074 144 L CA 2.165 57.047 54.840 0.071 0.000 0.760 144 L CB -0.889 41.211 42.059 0.068 0.000 0.889 144 L HN 0.202 nan 8.230 nan 0.000 0.433 145 D N -0.349 120.094 120.400 0.070 0.000 2.117 145 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 145 D C 2.131 178.468 176.300 0.062 0.000 0.987 145 D CA 1.548 55.578 54.000 0.051 0.000 0.829 145 D CB 0.315 41.137 40.800 0.037 0.000 0.961 145 D HN 0.202 nan 8.370 nan 0.000 0.460 146 S N -0.302 115.450 115.700 0.086 0.000 2.383 146 S HA -0.048 4.422 4.470 -0.001 0.000 0.227 146 S C 2.131 176.759 174.600 0.047 0.000 1.026 146 S CA 0.702 58.943 58.200 0.069 0.000 0.981 146 S CB -0.066 63.181 63.200 0.079 0.000 0.818 146 S HN 0.329 nan 8.310 nan 0.000 0.472 147 M N 0.865 120.488 119.600 0.037 0.000 2.117 147 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 147 M C 2.449 178.761 176.300 0.021 0.000 1.065 147 M CA 1.490 56.806 55.300 0.026 0.000 1.114 147 M CB -0.532 32.067 32.600 -0.002 0.000 1.361 147 M HN 0.390 nan 8.290 nan 0.000 0.408 148 A N -0.114 122.719 122.820 0.021 0.000 1.898 148 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 148 A C 2.154 179.760 177.584 0.037 0.000 1.181 148 A CA 2.092 54.145 52.037 0.026 0.000 0.620 148 A CB -1.103 17.912 19.000 0.024 0.000 0.819 148 A HN 0.459 nan 8.150 nan 0.000 0.442 149 T N 0.309 114.893 114.554 0.051 0.000 2.833 149 T HA -0.005 4.344 4.350 -0.001 0.000 0.269 149 T C 1.360 176.090 174.700 0.050 0.000 1.054 149 T CA 1.160 63.299 62.100 0.065 0.000 1.135 149 T CB -0.244 68.675 68.868 0.085 0.000 0.869 149 T HN 0.353 nan 8.240 nan 0.000 0.466 150 L N 0.322 121.572 121.223 0.045 0.000 2.628 150 L HA 0.320 4.659 4.340 -0.001 0.000 0.229 150 L C 1.686 178.581 176.870 0.042 0.000 1.137 150 L CA 0.061 54.926 54.840 0.043 0.000 0.909 150 L CB -0.301 41.786 42.059 0.047 0.000 1.137 150 L HN 0.445 nan 8.230 nan 0.000 0.470 151 G N 0.930 109.754 108.800 0.040 0.000 2.147 151 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 151 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 151 G C 0.127 175.060 174.900 0.055 0.000 1.005 151 G CA -0.162 44.968 45.100 0.051 0.000 0.713 151 G HN 0.248 nan 8.290 nan 0.000 0.515 152 L N 0.244 121.476 121.223 0.016 0.000 2.326 152 L HA 0.595 4.935 4.340 -0.001 0.000 0.278 152 L C 1.264 178.020 176.870 -0.189 0.000 1.092 152 L CA -0.257 54.546 54.840 -0.062 0.000 0.810 152 L CB 1.501 43.537 42.059 -0.037 0.000 1.153 152 L HN 0.277 nan 8.230 nan 0.000 0.439 153 A N 3.293 125.848 122.820 -0.442 0.000 2.981 153 A HA 0.510 4.830 4.320 -0.001 0.000 0.280 153 A C 0.407 177.618 177.584 -0.622 0.000 1.797 153 A CA -0.093 51.407 52.037 -0.894 0.000 1.456 153 A CB -0.664 17.482 19.000 -1.424 0.000 1.057 153 A HN 0.741 nan 8.150 nan 0.000 0.602 154 A N 1.699 124.211 122.820 -0.512 0.000 2.337 154 A HA 0.832 5.151 4.320 -0.001 0.000 0.331 154 A C -1.011 176.253 177.584 -0.534 0.000 1.137 154 A CA -0.461 51.322 52.037 -0.423 0.000 0.807 154 A CB 0.816 19.670 19.000 -0.244 0.000 1.250 154 A HN 0.618 nan 8.150 nan 0.000 0.468 155 Y N -0.296 119.914 120.300 -0.151 0.000 2.477 155 Y HA 0.566 5.115 4.550 -0.001 0.000 0.347 155 Y C 0.738 176.718 175.900 0.133 0.000 0.981 155 Y CA -0.533 57.552 58.100 -0.024 0.000 1.033 155 Y CB 2.467 40.967 38.460 0.066 0.000 1.245 155 Y HN 0.834 nan 8.280 nan 0.000 0.455 156 G N 1.755 110.643 108.800 0.146 0.000 2.335 156 G HA2 0.488 4.447 3.960 -0.001 0.000 0.314 156 G HA3 0.488 4.447 3.960 -0.001 0.000 0.314 156 G C -1.869 173.009 174.900 -0.037 0.000 1.129 156 G CA -0.327 44.845 45.100 0.120 0.000 0.912 156 G HN 0.501 nan 8.290 nan 0.000 0.443 157 Y N 1.277 121.796 120.300 0.366 0.000 2.350 157 Y HA 0.641 5.190 4.550 -0.001 0.000 0.338 157 Y C 0.760 176.990 175.900 0.550 0.000 0.961 157 Y CA 0.099 58.397 58.100 0.331 0.000 1.100 157 Y CB 2.674 41.367 38.460 0.390 0.000 1.179 157 Y HN 0.855 nan 8.280 nan 0.000 0.454 158 G N 2.456 111.595 108.800 0.564 0.000 2.706 158 G HA2 0.544 4.503 3.960 -0.001 0.000 0.307 158 G HA3 0.544 4.503 3.960 -0.001 0.000 0.307 158 G C -1.728 173.418 174.900 0.411 0.000 1.307 158 G CA -0.893 44.576 45.100 0.615 0.000 0.790 158 G HN 0.431 nan 8.290 nan 0.000 0.503 159 I N 0.778 121.497 120.570 0.248 0.000 2.392 159 I HA 0.379 4.549 4.170 -0.001 0.000 0.295 159 I C 0.474 176.476 176.117 -0.193 0.000 0.985 159 I CA -0.655 60.665 61.300 0.033 0.000 1.221 159 I CB 1.834 39.697 38.000 -0.227 0.000 1.366 159 I HN 0.341 nan 8.210 nan 0.000 0.467 160 R N 6.214 126.681 120.500 -0.055 0.000 2.325 160 R HA 0.184 4.524 4.340 -0.001 0.000 0.323 160 R C -1.323 174.934 176.300 -0.072 0.000 1.177 160 R CA -0.361 55.714 56.100 -0.042 0.000 1.018 160 R CB 0.032 30.281 30.300 -0.084 0.000 1.070 160 R HN 0.375 nan 8.270 nan 0.000 0.495 161 Y N 2.370 122.791 120.300 0.202 0.000 2.436 161 Y HA 0.006 4.556 4.550 -0.001 0.000 0.336 161 Y C 1.277 177.297 175.900 0.200 0.000 1.049 161 Y CA -0.129 58.072 58.100 0.169 0.000 1.294 161 Y CB 1.083 39.623 38.460 0.133 0.000 1.179 161 Y HN 0.604 nan 8.280 nan 0.000 0.520 162 E N 1.865 122.147 120.200 0.137 0.000 2.274 162 E HA -0.065 4.284 4.350 -0.001 0.000 0.194 162 E C 0.041 176.293 176.600 -0.580 0.000 0.996 162 E CA 0.915 57.134 56.400 -0.302 0.000 0.840 162 E CB 0.095 29.451 29.700 -0.573 0.000 0.772 162 E HN 0.650 nan 8.360 nan 0.000 0.491 163 F N -0.893 119.247 119.950 0.317 0.000 2.775 163 F HA 0.314 4.840 4.527 -0.001 0.000 0.313 163 F C 1.212 177.120 175.800 0.180 0.000 1.121 163 F CA 0.005 58.161 58.000 0.259 0.000 1.206 163 F CB 0.541 39.634 39.000 0.154 0.000 1.052 163 F HN -0.029 nan 8.300 nan 0.000 0.524 164 G N 1.652 110.603 108.800 0.253 0.000 2.632 164 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.322 164 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.322 164 G C -0.093 174.746 174.900 -0.101 0.000 1.326 164 G CA 0.015 45.108 45.100 -0.013 0.000 0.986 164 G HN 0.126 nan 8.290 nan 0.000 0.541 165 I N 1.889 122.358 120.570 -0.168 0.000 2.404 165 I HA 0.438 4.607 4.170 -0.001 0.000 0.293 165 I C 1.020 177.026 176.117 -0.185 0.000 0.992 165 I CA -0.719 60.487 61.300 -0.157 0.000 1.149 165 I CB 0.886 38.709 38.000 -0.294 0.000 1.315 165 I HN 0.605 nan 8.210 nan 0.000 0.446 166 F N 5.708 125.676 119.950 0.030 0.000 2.422 166 F HA -0.153 4.374 4.527 -0.001 0.000 0.364 166 F C 0.371 176.221 175.800 0.083 0.000 0.954 166 F CA -0.012 58.027 58.000 0.064 0.000 1.192 166 F CB -0.603 38.428 39.000 0.052 0.000 0.895 166 F HN 0.405 nan 8.300 nan 0.000 0.589 167 N N 2.120 120.925 118.700 0.175 0.000 2.518 167 N HA 0.075 4.815 4.740 -0.001 0.000 0.266 167 N C -0.641 175.060 175.510 0.319 0.000 1.196 167 N CA -0.385 52.750 53.050 0.141 0.000 0.947 167 N CB 0.894 39.474 38.487 0.155 0.000 1.098 167 N HN 0.771 nan 8.380 nan 0.000 0.450 168 Q N 1.799 121.759 119.800 0.268 0.000 2.314 168 Q HA 0.228 4.567 4.340 -0.001 0.000 0.259 168 Q C -0.996 175.167 176.000 0.272 0.000 0.951 168 Q CA -0.423 55.607 55.803 0.378 0.000 0.909 168 Q CB 0.814 29.795 28.738 0.405 0.000 1.236 168 Q HN 0.411 nan 8.270 nan 0.000 0.444 169 K N 4.572 125.113 120.400 0.235 0.000 2.259 169 K HA 0.431 4.750 4.320 -0.001 0.000 0.252 169 K C -0.843 175.857 176.600 0.167 0.000 0.936 169 K CA -0.744 55.650 56.287 0.178 0.000 0.810 169 K CB 1.075 33.654 32.500 0.132 0.000 1.143 169 K HN 0.560 nan 8.250 nan 0.000 0.427 170 I N 4.187 124.851 120.570 0.156 0.000 2.312 170 I HA 0.222 4.392 4.170 -0.001 0.000 0.290 170 I C -0.589 175.590 176.117 0.103 0.000 1.008 170 I CA -0.675 60.697 61.300 0.121 0.000 1.226 170 I CB 0.614 38.688 38.000 0.123 0.000 1.371 170 I HN 0.591 nan 8.210 nan 0.000 0.468 171 C N 4.132 123.503 119.300 0.120 0.000 2.301 171 C HA 0.584 5.043 4.460 -0.001 0.000 0.323 171 C C 1.206 176.298 174.990 0.169 0.000 1.265 171 C CA -0.557 58.534 59.018 0.122 0.000 1.503 171 C CB 0.396 28.205 27.740 0.115 0.000 2.195 171 C HN 1.095 nan 8.230 nan 0.000 0.477 172 G N 2.385 111.252 108.800 0.111 0.000 2.283 172 G HA2 0.128 4.087 3.960 -0.001 0.000 0.280 172 G HA3 0.128 4.087 3.960 -0.001 0.000 0.280 172 G C 1.079 175.939 174.900 -0.066 0.000 1.029 172 G CA 0.899 46.054 45.100 0.092 0.000 0.840 172 G HN 2.397 nan 8.290 nan 0.000 0.505 173 G N -2.889 105.849 108.800 -0.104 0.000 2.179 173 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 173 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 173 G C 0.363 175.026 174.900 -0.395 0.000 0.977 173 G CA 0.638 45.569 45.100 -0.282 0.000 0.641 173 G HN 1.192 nan 8.290 nan 0.000 0.533 174 W N 0.671 121.935 121.300 -0.062 0.000 2.496 174 W HA 0.644 5.303 4.660 -0.001 0.000 0.327 174 W C 0.647 177.123 176.519 -0.071 0.000 1.086 174 W CA -0.979 56.321 57.345 -0.076 0.000 1.222 174 W CB 0.911 30.341 29.460 -0.049 0.000 1.304 174 W HN 0.229 nan 8.180 nan 0.000 0.547 175 Q N 3.571 123.478 119.800 0.178 0.000 2.297 175 Q HA 0.215 4.554 4.340 -0.001 0.000 0.267 175 Q C -0.505 175.560 176.000 0.108 0.000 1.006 175 Q CA 0.207 56.078 55.803 0.114 0.000 0.896 175 Q CB 0.543 29.332 28.738 0.085 0.000 1.186 175 Q HN 0.364 nan 8.270 nan 0.000 0.392 176 M N 3.789 123.451 119.600 0.103 0.000 2.456 176 M HA 0.318 4.797 4.480 -0.001 0.000 0.324 176 M C -0.691 175.646 176.300 0.060 0.000 1.124 176 M CA -0.734 54.598 55.300 0.054 0.000 0.959 176 M CB 1.878 34.516 32.600 0.064 0.000 1.692 176 M HN 0.667 nan 8.290 nan 0.000 0.444 177 E N 2.220 122.399 120.200 -0.036 0.000 2.197 177 E HA 0.533 4.882 4.350 -0.001 0.000 0.281 177 E C -1.052 175.593 176.600 0.074 0.000 0.995 177 E CA -0.412 55.976 56.400 -0.020 0.000 0.808 177 E CB 1.771 31.178 29.700 -0.490 0.000 1.093 177 E HN 0.558 nan 8.360 nan 0.000 0.394 178 E N 0.769 121.083 120.200 0.189 0.000 2.288 178 E HA 0.529 4.879 4.350 -0.001 0.000 0.268 178 E C -0.812 175.897 176.600 0.182 0.000 0.885 178 E CA -1.243 55.242 56.400 0.143 0.000 0.767 178 E CB 2.224 32.004 29.700 0.132 0.000 1.220 178 E HN 0.673 nan 8.360 nan 0.000 0.427 179 A N 1.680 124.570 122.820 0.118 0.000 2.531 179 A HA -0.007 4.312 4.320 -0.001 0.000 0.236 179 A C -0.062 177.661 177.584 0.232 0.000 1.062 179 A CA 0.255 52.372 52.037 0.135 0.000 0.760 179 A CB 0.038 19.040 19.000 0.004 0.000 0.995 179 A HN 0.568 nan 8.150 nan 0.000 0.501 180 D N 1.545 122.137 120.400 0.321 0.000 2.505 180 D HA 0.196 4.835 4.640 -0.001 0.000 0.242 180 D C -0.654 175.943 176.300 0.495 0.000 1.136 180 D CA -0.422 53.778 54.000 0.333 0.000 0.954 180 D CB 0.368 41.308 40.800 0.234 0.000 1.002 180 D HN 0.472 nan 8.370 nan 0.000 0.512 181 D N 3.375 124.041 120.400 0.444 0.000 2.631 181 D HA -0.051 4.589 4.640 -0.001 0.000 0.227 181 D C 1.224 177.658 176.300 0.223 0.000 1.146 181 D CA -0.807 53.409 54.000 0.359 0.000 1.009 181 D CB -0.322 40.724 40.800 0.409 0.000 1.057 181 D HN 0.547 nan 8.370 nan 0.000 0.509 182 W N 1.852 123.193 121.300 0.069 0.000 2.611 182 W HA 0.010 4.670 4.660 -0.001 0.000 0.251 182 W C 0.036 176.599 176.519 0.072 0.000 1.265 182 W CA -0.235 57.158 57.345 0.081 0.000 1.295 182 W CB -0.708 28.799 29.460 0.079 0.000 1.129 182 W HN 0.193 nan 8.180 nan 0.000 0.630 183 L N 2.049 122.918 121.223 -0.590 0.000 2.607 183 L HA 0.088 4.428 4.340 -0.001 0.000 0.228 183 L C 2.911 179.597 176.870 -0.306 0.000 1.123 183 L CA 0.030 54.488 54.840 -0.637 0.000 0.890 183 L CB -0.501 41.048 42.059 -0.851 0.000 1.103 183 L HN -0.164 nan 8.230 nan 0.000 0.468 184 R N 0.534 120.901 120.500 -0.222 0.000 2.127 184 R HA -0.207 4.132 4.340 -0.001 0.000 0.238 184 R C 0.950 177.011 176.300 -0.398 0.000 1.134 184 R CA 1.815 57.730 56.100 -0.308 0.000 0.975 184 R CB -0.857 29.232 30.300 -0.352 0.000 0.865 184 R HN 0.330 nan 8.270 nan 0.000 0.447 185 Y N 0.411 120.725 120.300 0.023 0.000 2.457 185 Y HA 0.392 4.942 4.550 -0.001 0.000 0.263 185 Y C 1.200 177.052 175.900 -0.079 0.000 1.164 185 Y CA 0.486 58.611 58.100 0.042 0.000 1.274 185 Y CB 0.425 39.033 38.460 0.246 0.000 1.097 185 Y HN 0.475 nan 8.280 nan 0.000 0.523 186 G N 1.162 109.957 108.800 -0.007 0.000 2.663 186 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.686 186 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.686 186 G C -1.320 173.559 174.900 -0.035 0.000 1.246 186 G CA -0.941 44.091 45.100 -0.114 0.000 0.795 186 G HN 0.200 nan 8.290 nan 0.000 0.627 187 N N 1.449 120.086 118.700 -0.105 0.000 2.511 187 N HA 0.571 5.311 4.740 -0.001 0.000 0.249 187 N C -0.567 174.907 175.510 -0.061 0.000 0.971 187 N CA -2.149 50.895 53.050 -0.009 0.000 0.938 187 N CB 1.912 40.352 38.487 -0.079 0.000 1.131 187 N HN 0.222 nan 8.380 nan 0.000 0.505 188 P HA -0.010 nan 4.420 nan 0.000 0.223 188 P C 0.681 177.675 177.300 -0.509 0.000 1.151 188 P CA 0.849 63.646 63.100 -0.505 0.000 0.787 188 P CB 0.072 31.239 31.700 -0.887 0.000 0.788 189 W N 1.814 123.083 121.300 -0.051 0.000 2.678 189 W HA 0.034 4.694 4.660 -0.001 0.000 0.256 189 W C 1.309 177.792 176.519 -0.059 0.000 1.280 189 W CA -0.292 57.019 57.345 -0.057 0.000 1.345 189 W CB -0.186 29.277 29.460 0.006 0.000 1.118 189 W HN 0.061 nan 8.180 nan 0.000 0.629 190 E N 1.132 121.417 120.200 0.142 0.000 2.250 190 E HA 0.358 4.708 4.350 -0.001 0.000 0.265 190 E C -0.339 176.293 176.600 0.053 0.000 1.033 190 E CA -0.767 55.703 56.400 0.117 0.000 0.888 190 E CB 1.288 31.102 29.700 0.190 0.000 1.151 190 E HN -0.339 nan 8.360 nan 0.000 0.412 191 K N 1.108 121.523 120.400 0.026 0.000 2.545 191 K HA 0.384 4.704 4.320 -0.001 0.000 0.252 191 K C -1.194 175.322 176.600 -0.140 0.000 0.948 191 K CA -0.667 55.590 56.287 -0.050 0.000 0.827 191 K CB 1.792 34.227 32.500 -0.109 0.000 1.128 191 K HN 0.707 nan 8.250 nan 0.000 0.429 192 A N 4.059 126.720 122.820 -0.265 0.000 2.462 192 A HA 0.304 4.623 4.320 -0.001 0.000 0.243 192 A C 0.010 177.378 177.584 -0.359 0.000 1.076 192 A CA -0.042 51.583 52.037 -0.686 0.000 0.773 192 A CB 0.273 18.941 19.000 -0.553 0.000 1.010 192 A HN 0.561 nan 8.150 nan 0.000 0.493 193 R N 3.379 123.681 120.500 -0.331 0.000 2.587 193 R HA 0.212 4.551 4.340 -0.001 0.000 0.283 193 R C -2.384 173.852 176.300 -0.107 0.000 1.472 193 R CA -1.760 54.288 56.100 -0.087 0.000 1.578 193 R CB 0.769 31.215 30.300 0.243 0.000 1.130 193 R HN 0.542 nan 8.270 nan 0.000 0.602 194 P HA -0.166 nan 4.420 nan 0.000 0.218 194 P C 0.263 177.478 177.300 -0.142 0.000 1.146 194 P CA 1.261 64.294 63.100 -0.112 0.000 0.813 194 P CB 0.495 32.131 31.700 -0.108 0.000 0.778 195 E N -0.900 119.116 120.200 -0.306 0.000 2.268 195 E HA -0.090 4.260 4.350 -0.001 0.000 0.195 195 E C 0.685 176.992 176.600 -0.487 0.000 0.995 195 E CA 0.878 56.985 56.400 -0.487 0.000 0.836 195 E CB -0.778 28.432 29.700 -0.817 0.000 0.763 195 E HN 0.363 nan 8.360 nan 0.000 0.491 196 F N 0.477 120.455 119.950 0.046 0.000 2.850 196 F HA 0.263 4.789 4.527 -0.001 0.000 0.306 196 F C 0.246 176.135 175.800 0.150 0.000 1.162 196 F CA -0.633 57.425 58.000 0.097 0.000 1.327 196 F CB -0.016 39.053 39.000 0.116 0.000 0.953 196 F HN -0.318 nan 8.300 nan 0.000 0.507 197 T N 3.141 117.816 114.554 0.203 0.000 2.888 197 T HA 0.407 4.756 4.350 -0.001 0.000 0.301 197 T C 0.026 174.807 174.700 0.134 0.000 1.001 197 T CA 0.461 62.669 62.100 0.179 0.000 1.147 197 T CB 0.292 69.219 68.868 0.099 0.000 0.931 197 T HN 0.071 nan 8.240 nan 0.000 0.541 198 L N 6.065 127.338 121.223 0.084 0.000 2.370 198 L HA 0.513 4.852 4.340 -0.001 0.000 0.266 198 L C -2.365 174.436 176.870 -0.115 0.000 1.002 198 L CA -2.667 52.153 54.840 -0.034 0.000 0.818 198 L CB 2.145 44.132 42.059 -0.120 0.000 1.325 198 L HN 0.374 nan 8.230 nan 0.000 0.418 199 P HA 0.255 nan 4.420 nan 0.000 0.280 199 P C -1.131 175.915 177.300 -0.425 0.000 1.244 199 P CA -0.366 62.568 63.100 -0.276 0.000 0.784 199 P CB 1.337 32.853 31.700 -0.307 0.000 0.913 200 V N 4.133 123.782 119.914 -0.441 0.000 2.487 200 V HA 0.291 4.411 4.120 -0.001 0.000 0.298 200 V C 0.040 175.775 176.094 -0.599 0.000 1.028 200 V CA -0.618 61.397 62.300 -0.475 0.000 0.860 200 V CB 1.095 32.731 31.823 -0.312 0.000 0.991 200 V HN 0.587 nan 8.190 nan 0.000 0.427 201 H N 4.126 122.966 119.070 -0.384 0.000 2.467 201 H HA 0.633 5.189 4.556 -0.001 0.000 0.331 201 H C -1.167 173.812 175.328 -0.581 0.000 1.120 201 H CA -0.122 55.632 56.048 -0.490 0.000 1.270 201 H CB 1.766 31.042 29.762 -0.810 0.000 1.466 201 H HN 0.460 nan 8.280 nan 0.000 0.504 202 F N 0.147 120.172 119.950 0.124 0.000 2.620 202 F HA 0.224 4.750 4.527 -0.001 0.000 0.320 202 F C -0.029 175.869 175.800 0.164 0.000 1.069 202 F CA -0.772 57.277 58.000 0.082 0.000 0.953 202 F CB 0.643 39.605 39.000 -0.063 0.000 1.322 202 F HN 0.550 nan 8.300 nan 0.000 0.479 203 Y N 0.088 120.668 120.300 0.467 0.000 2.885 203 Y HA 0.003 4.553 4.550 -0.001 0.000 0.466 203 Y C 1.382 177.507 175.900 0.376 0.000 1.189 203 Y CA 0.776 59.070 58.100 0.324 0.000 2.539 203 Y CB -1.862 36.720 38.460 0.203 0.000 1.224 203 Y HN 1.298 nan 8.280 nan 0.000 0.631 204 G N 0.454 109.508 108.800 0.424 0.000 2.693 204 G HA2 0.081 4.041 3.960 -0.001 0.000 0.226 204 G HA3 0.081 4.041 3.960 -0.001 0.000 0.226 204 G C -0.838 174.256 174.900 0.324 0.000 1.354 204 G CA 0.275 45.553 45.100 0.296 0.000 0.873 204 G HN 1.193 nan 8.290 nan 0.000 0.562 205 R N -2.160 118.511 120.500 0.285 0.000 2.774 205 R HA 0.718 5.057 4.340 -0.001 0.000 0.272 205 R C -1.192 175.216 176.300 0.179 0.000 1.000 205 R CA -1.096 55.117 56.100 0.188 0.000 0.906 205 R CB 1.761 32.121 30.300 0.101 0.000 1.227 205 R HN 0.665 nan 8.270 nan 0.000 0.468 206 V N 1.077 121.004 119.914 0.021 0.000 2.383 206 V HA 0.243 4.363 4.120 -0.001 0.000 0.275 206 V C -0.044 175.913 176.094 -0.229 0.000 1.036 206 V CA -0.396 61.842 62.300 -0.104 0.000 0.889 206 V CB 1.116 32.801 31.823 -0.229 0.000 0.985 206 V HN 0.713 nan 8.190 nan 0.000 0.459 207 E N 3.436 123.543 120.200 -0.155 0.000 2.134 207 E HA 0.308 4.657 4.350 -0.001 0.000 0.278 207 E C -0.811 175.706 176.600 -0.139 0.000 0.959 207 E CA -0.736 55.584 56.400 -0.133 0.000 0.783 207 E CB 0.571 30.255 29.700 -0.027 0.000 1.095 207 E HN 0.669 nan 8.360 nan 0.000 0.399 208 H N 3.324 122.410 119.070 0.026 0.000 2.908 208 H HA 0.102 4.658 4.556 -0.001 0.000 0.269 208 H C -0.103 175.235 175.328 0.016 0.000 1.303 208 H CA -0.226 55.833 56.048 0.018 0.000 1.341 208 H CB -0.052 29.717 29.762 0.011 0.000 1.519 208 H HN 0.432 nan 8.280 nan 0.000 0.505 209 T N -0.696 113.933 114.554 0.124 0.000 2.897 209 T HA 0.080 4.429 4.350 -0.001 0.000 0.294 209 T C 1.484 176.228 174.700 0.072 0.000 1.004 209 T CA -0.514 61.633 62.100 0.078 0.000 1.106 209 T CB 1.073 69.973 68.868 0.053 0.000 0.949 209 T HN 0.439 nan 8.240 nan 0.000 0.520 210 S N 1.075 116.804 115.700 0.047 0.000 2.584 210 S HA -0.117 4.353 4.470 -0.001 0.000 0.240 210 S C 1.486 176.102 174.600 0.026 0.000 0.975 210 S CA 0.401 58.618 58.200 0.028 0.000 0.949 210 S CB -0.463 62.747 63.200 0.017 0.000 0.761 210 S HN 0.760 nan 8.310 nan 0.000 0.536 211 Q N 2.342 122.163 119.800 0.034 0.000 1.447 211 Q HA 0.433 4.773 4.340 -0.001 0.000 0.583 211 Q C 1.163 177.185 176.000 0.038 0.000 0.915 211 Q CA 1.581 57.403 55.803 0.032 0.000 0.902 211 Q CB -1.098 27.658 28.738 0.030 0.000 0.981 211 Q HN 0.497 nan 8.270 nan 0.000 0.359 212 G N -1.125 107.702 108.800 0.045 0.000 2.736 212 G HA2 0.633 4.593 3.960 -0.001 0.000 0.229 212 G HA3 0.633 4.593 3.960 -0.001 0.000 0.229 212 G C -1.446 173.505 174.900 0.085 0.000 1.380 212 G CA -0.315 44.817 45.100 0.053 0.000 1.040 212 G HN 0.591 nan 8.290 nan 0.000 0.568 213 A N -0.129 122.746 122.820 0.091 0.000 2.318 213 A HA 0.697 5.017 4.320 -0.001 0.000 0.317 213 A C -0.199 177.422 177.584 0.062 0.000 1.159 213 A CA -0.595 51.511 52.037 0.114 0.000 0.799 213 A CB 1.233 20.331 19.000 0.165 0.000 1.194 213 A HN 0.314 nan 8.150 nan 0.000 0.479 214 K N 1.559 121.988 120.400 0.049 0.000 2.159 214 K HA 0.199 4.518 4.320 -0.001 0.000 0.266 214 K C -1.510 175.164 176.600 0.123 0.000 0.975 214 K CA -0.320 56.005 56.287 0.063 0.000 0.865 214 K CB 1.580 34.103 32.500 0.037 0.000 1.087 214 K HN 0.751 nan 8.250 nan 0.000 0.446 215 W N 5.910 127.153 121.300 -0.096 0.000 2.295 215 W HA 0.269 4.929 4.660 -0.001 0.000 0.333 215 W C -0.601 175.850 176.519 -0.113 0.000 0.990 215 W CA -0.947 56.335 57.345 -0.106 0.000 1.453 215 W CB -0.264 29.124 29.460 -0.120 0.000 1.263 215 W HN 0.213 nan 8.180 nan 0.000 0.380 216 V N 2.303 122.264 119.914 0.079 0.000 3.177 216 V HA 0.606 4.726 4.120 -0.001 0.000 0.319 216 V C 0.252 176.311 176.094 -0.059 0.000 1.125 216 V CA -0.651 61.614 62.300 -0.057 0.000 1.029 216 V CB 1.760 33.581 31.823 -0.005 0.000 1.119 216 V HN 0.431 nan 8.190 nan 0.000 0.452 217 D N -0.422 119.943 120.400 -0.057 0.000 3.059 217 D HA -0.154 4.486 4.640 -0.001 0.000 0.220 217 D C 0.636 176.932 176.300 -0.007 0.000 1.169 217 D CA 1.608 55.601 54.000 -0.012 0.000 0.902 217 D CB -1.604 39.216 40.800 0.033 0.000 1.116 217 D HN 1.319 nan 8.370 nan 0.000 0.417 218 T N -2.419 112.071 114.554 -0.107 0.000 2.813 218 T HA 0.278 4.627 4.350 -0.001 0.000 0.297 218 T C 0.410 175.149 174.700 0.065 0.000 1.036 218 T CA -0.632 61.427 62.100 -0.069 0.000 1.044 218 T CB 1.879 70.511 68.868 -0.393 0.000 0.993 218 T HN 0.256 nan 8.240 nan 0.000 0.535 219 Q N 0.627 120.540 119.800 0.188 0.000 2.235 219 Q HA 0.540 4.880 4.340 -0.001 0.000 0.250 219 Q C -1.433 174.678 176.000 0.185 0.000 0.909 219 Q CA -0.898 55.034 55.803 0.215 0.000 0.910 219 Q CB 1.163 30.105 28.738 0.340 0.000 1.223 219 Q HN 0.611 nan 8.270 nan 0.000 0.432 220 V N 3.968 123.950 119.914 0.114 0.000 2.513 220 V HA 0.491 4.611 4.120 -0.001 0.000 0.299 220 V C -0.632 175.510 176.094 0.079 0.000 1.035 220 V CA -0.690 61.612 62.300 0.003 0.000 0.889 220 V CB 1.865 33.654 31.823 -0.058 0.000 0.988 220 V HN 0.674 nan 8.190 nan 0.000 0.440 221 V N 5.674 125.629 119.914 0.068 0.000 2.531 221 V HA 0.445 4.565 4.120 -0.001 0.000 0.301 221 V C -0.274 175.898 176.094 0.130 0.000 1.034 221 V CA -0.578 61.819 62.300 0.161 0.000 0.865 221 V CB 1.912 33.934 31.823 0.331 0.000 0.995 221 V HN 0.633 nan 8.190 nan 0.000 0.424 222 L N 4.221 125.527 121.223 0.138 0.000 2.331 222 L HA 0.657 4.996 4.340 -0.001 0.000 0.278 222 L C 0.560 177.601 176.870 0.285 0.000 1.106 222 L CA -0.145 54.777 54.840 0.137 0.000 0.824 222 L CB 1.222 43.344 42.059 0.104 0.000 1.142 222 L HN 0.756 nan 8.230 nan 0.000 0.443 223 A N 6.038 128.990 122.820 0.220 0.000 2.258 223 A HA 0.624 4.943 4.320 -0.001 0.000 0.316 223 A C -0.453 177.371 177.584 0.401 0.000 1.279 223 A CA -0.488 51.726 52.037 0.294 0.000 0.876 223 A CB 0.995 19.751 19.000 -0.407 0.000 1.170 223 A HN 0.794 nan 8.150 nan 0.000 0.520 224 M N 5.783 125.696 119.600 0.522 0.000 2.227 224 M HA 0.514 4.994 4.480 -0.001 0.000 0.335 224 M C -2.684 173.882 176.300 0.443 0.000 1.053 224 M CA -2.190 53.361 55.300 0.419 0.000 0.973 224 M CB 2.537 35.288 32.600 0.251 0.000 1.623 224 M HN 0.383 nan 8.290 nan 0.000 0.434 225 P HA 0.306 nan 4.420 nan 0.000 0.284 225 P C -1.966 175.227 177.300 -0.178 0.000 1.258 225 P CA -0.140 62.846 63.100 -0.191 0.000 0.824 225 P CB 0.728 32.137 31.700 -0.485 0.000 1.038 226 Y N 0.282 120.459 120.300 -0.205 0.000 2.338 226 Y HA 0.294 4.844 4.550 -0.001 0.000 0.333 226 Y C 0.186 175.977 175.900 -0.182 0.000 0.968 226 Y CA -0.294 57.729 58.100 -0.128 0.000 1.123 226 Y CB 1.419 39.835 38.460 -0.074 0.000 1.165 226 Y HN 0.203 nan 8.280 nan 0.000 0.452 227 D N 2.361 122.727 120.400 -0.057 0.000 2.198 227 D HA 0.370 5.009 4.640 -0.001 0.000 0.245 227 D C -0.571 175.650 176.300 -0.131 0.000 1.079 227 D CA -0.150 53.770 54.000 -0.134 0.000 0.854 227 D CB 1.906 42.591 40.800 -0.192 0.000 1.148 227 D HN 0.376 nan 8.370 nan 0.000 0.456 228 T N 2.818 117.290 114.554 -0.136 0.000 2.848 228 T HA 0.500 4.850 4.350 -0.001 0.000 0.285 228 T C -2.589 172.009 174.700 -0.170 0.000 0.995 228 T CA -1.458 60.581 62.100 -0.103 0.000 0.970 228 T CB 2.167 71.026 68.868 -0.016 0.000 0.976 228 T HN 0.098 nan 8.240 nan 0.000 0.441 229 P HA 0.482 nan 4.420 nan 0.000 0.286 229 P C -1.040 176.228 177.300 -0.052 0.000 1.261 229 P CA -0.743 62.254 63.100 -0.172 0.000 0.821 229 P CB 0.873 32.410 31.700 -0.273 0.000 1.013 230 V N -0.382 119.540 119.914 0.012 0.000 2.444 230 V HA 0.710 4.829 4.120 -0.001 0.000 0.294 230 V C -2.782 173.323 176.094 0.018 0.000 1.022 230 V CA -2.785 59.505 62.300 -0.017 0.000 0.850 230 V CB 1.881 33.685 31.823 -0.032 0.000 0.992 230 V HN 0.382 nan 8.190 nan 0.000 0.426 231 P HA 0.448 nan 4.420 nan 0.000 0.292 231 P C 0.344 177.654 177.300 0.017 0.000 1.283 231 P CA 0.216 63.324 63.100 0.014 0.000 0.835 231 P CB 1.848 33.546 31.700 -0.003 0.000 1.017 232 G N 1.401 110.214 108.800 0.021 0.000 2.599 232 G HA2 0.130 4.090 3.960 -0.001 0.000 0.264 232 G HA3 0.130 4.090 3.960 -0.001 0.000 0.264 232 G C -1.164 173.768 174.900 0.054 0.000 1.200 232 G CA -0.378 44.746 45.100 0.040 0.000 0.896 232 G HN 0.478 nan 8.290 nan 0.000 0.536 233 Y N 1.271 121.552 120.300 -0.032 0.000 2.616 233 Y HA 0.253 4.803 4.550 -0.001 0.000 0.350 233 Y C 1.388 177.263 175.900 -0.041 0.000 1.119 233 Y CA -0.385 57.690 58.100 -0.043 0.000 1.467 233 Y CB -0.394 38.036 38.460 -0.050 0.000 1.287 233 Y HN 0.705 nan 8.280 nan 0.000 0.504 234 R N 2.848 123.079 120.500 -0.449 0.000 3.641 234 R HA -0.317 4.023 4.340 -0.001 0.000 0.286 234 R C 0.094 176.262 176.300 -0.220 0.000 1.153 234 R CA 1.258 57.101 56.100 -0.428 0.000 0.775 234 R CB -2.300 27.570 30.300 -0.718 0.000 1.215 234 R HN 0.929 nan 8.270 nan 0.000 0.474 235 N N -0.477 118.145 118.700 -0.131 0.000 2.177 235 N HA 0.028 4.767 4.740 -0.001 0.000 0.218 235 N C -0.026 175.436 175.510 -0.081 0.000 1.182 235 N CA -0.481 52.520 53.050 -0.082 0.000 0.882 235 N CB 0.437 38.898 38.487 -0.043 0.000 1.052 235 N HN 0.064 nan 8.380 nan 0.000 0.519 236 N N 0.381 119.033 118.700 -0.080 0.000 2.732 236 N HA -0.155 4.584 4.740 -0.001 0.000 0.250 236 N C -0.198 175.269 175.510 -0.070 0.000 1.097 236 N CA 1.124 54.134 53.050 -0.066 0.000 0.812 236 N CB -1.526 36.919 38.487 -0.070 0.000 1.148 236 N HN 0.520 nan 8.380 nan 0.000 0.572 237 V N -1.665 118.211 119.914 -0.063 0.000 2.509 237 V HA 0.705 4.824 4.120 -0.001 0.000 0.284 237 V C 0.279 176.363 176.094 -0.016 0.000 1.047 237 V CA -0.494 61.766 62.300 -0.066 0.000 0.952 237 V CB 2.165 33.962 31.823 -0.043 0.000 0.988 237 V HN -0.080 nan 8.190 nan 0.000 0.469 238 V N 6.166 126.075 119.914 -0.007 0.000 2.462 238 V HA 0.486 4.605 4.120 -0.001 0.000 0.288 238 V C -0.247 175.932 176.094 0.143 0.000 1.020 238 V CA -0.681 61.681 62.300 0.102 0.000 0.857 238 V CB 1.129 33.071 31.823 0.199 0.000 1.013 238 V HN 1.011 nan 8.190 nan 0.000 0.431 239 N N 1.831 120.599 118.700 0.112 0.000 2.418 239 N HA 0.518 5.258 4.740 -0.001 0.000 0.283 239 N C 0.038 175.674 175.510 0.209 0.000 1.267 239 N CA -0.307 52.783 53.050 0.066 0.000 0.975 239 N CB 0.915 39.362 38.487 -0.066 0.000 1.167 239 N HN 0.559 nan 8.380 nan 0.000 0.581 240 T N 0.834 115.450 114.554 0.103 0.000 2.797 240 T HA 0.392 4.741 4.350 -0.001 0.000 0.279 240 T C -0.039 174.656 174.700 -0.007 0.000 0.991 240 T CA -0.457 61.764 62.100 0.202 0.000 0.979 240 T CB 0.821 69.942 68.868 0.422 0.000 0.943 240 T HN 0.274 nan 8.240 nan 0.000 0.444 241 M N 3.654 123.194 119.600 -0.100 0.000 2.205 241 M HA 0.601 5.081 4.480 -0.001 0.000 0.344 241 M C -0.637 175.481 176.300 -0.302 0.000 1.085 241 M CA -0.797 54.350 55.300 -0.255 0.000 1.001 241 M CB 0.781 33.199 32.600 -0.304 0.000 1.626 241 M HN 0.463 nan 8.290 nan 0.000 0.442 242 R N 4.693 124.897 120.500 -0.492 0.000 2.388 242 R HA 0.578 4.918 4.340 -0.001 0.000 0.314 242 R C -2.269 173.678 176.300 -0.587 0.000 0.959 242 R CA -0.443 55.293 56.100 -0.606 0.000 0.851 242 R CB 0.990 30.716 30.300 -0.956 0.000 1.168 242 R HN 0.628 nan 8.270 nan 0.000 0.472 243 L N 4.996 125.983 121.223 -0.394 0.000 2.341 243 L HA 0.546 4.886 4.340 -0.001 0.000 0.278 243 L C -0.970 175.802 176.870 -0.163 0.000 1.005 243 L CA -0.777 53.944 54.840 -0.199 0.000 0.818 243 L CB 1.213 43.245 42.059 -0.045 0.000 1.259 243 L HN 0.626 nan 8.230 nan 0.000 0.418 244 W N 1.939 123.356 121.300 0.195 0.000 2.365 244 W HA 0.612 5.272 4.660 -0.001 0.000 0.316 244 W C 0.529 177.257 176.519 0.349 0.000 1.164 244 W CA -0.305 57.185 57.345 0.242 0.000 1.204 244 W CB 1.497 30.986 29.460 0.048 0.000 1.213 244 W HN 0.431 nan 8.180 nan 0.000 0.539 245 S N 1.825 117.914 115.700 0.648 0.000 2.482 245 S HA 0.775 5.244 4.470 -0.001 0.000 0.303 245 S C -0.458 174.455 174.600 0.522 0.000 1.091 245 S CA -0.683 57.800 58.200 0.472 0.000 1.057 245 S CB 0.585 64.031 63.200 0.409 0.000 1.031 245 S HN 0.520 nan 8.310 nan 0.000 0.485 246 A N 4.618 127.602 122.820 0.272 0.000 2.331 246 A HA 0.691 5.010 4.320 -0.001 0.000 0.283 246 A C -0.248 177.422 177.584 0.143 0.000 1.142 246 A CA -0.351 51.761 52.037 0.124 0.000 0.812 246 A CB 0.371 19.187 19.000 -0.307 0.000 1.074 246 A HN 0.808 nan 8.150 nan 0.000 0.497 247 K N 0.785 121.286 120.400 0.168 0.000 2.469 247 K HA 0.640 4.959 4.320 -0.001 0.000 0.254 247 K C -0.629 176.033 176.600 0.103 0.000 0.939 247 K CA -0.635 55.727 56.287 0.124 0.000 0.812 247 K CB 2.556 35.136 32.500 0.134 0.000 1.301 247 K HN 0.818 nan 8.250 nan 0.000 0.433 248 A N 2.554 125.421 122.820 0.077 0.000 2.293 248 A HA 0.633 4.952 4.320 -0.001 0.000 0.302 248 A C -2.318 175.299 177.584 0.055 0.000 1.119 248 A CA -1.216 50.861 52.037 0.067 0.000 0.823 248 A CB -0.120 18.913 19.000 0.055 0.000 1.097 248 A HN 0.404 nan 8.150 nan 0.000 0.491 249 P HA 0.441 nan 4.420 nan 0.000 0.289 249 P C -0.704 176.612 177.300 0.027 0.000 1.299 249 P CA -0.472 62.648 63.100 0.034 0.000 0.766 249 P CB 0.535 32.252 31.700 0.029 0.000 1.226 262 Y N -0.074 120.226 120.300 -0.001 0.000 2.615 262 Y HA 0.498 5.048 4.550 -0.001 0.000 0.341 262 Y C 0.460 176.361 175.900 0.001 0.000 1.089 262 Y CA -0.951 57.149 58.100 -0.000 0.000 1.049 262 Y CB 2.099 40.558 38.460 -0.001 0.000 1.296 262 Y HN 0.491 nan 8.280 nan 0.000 0.470 263 I N 1.300 121.676 120.570 -0.323 0.000 3.702 263 I HA 0.068 4.238 4.170 -0.001 0.000 0.305 263 I C 0.945 177.031 176.117 -0.051 0.000 1.346 263 I CA 0.307 61.492 61.300 -0.192 0.000 1.258 263 I CB -0.254 37.588 38.000 -0.263 0.000 1.121 263 I HN 0.690 nan 8.210 nan 0.000 0.437 264 Q N 0.963 120.798 119.800 0.059 0.000 2.515 264 Q HA 0.072 4.411 4.340 -0.001 0.000 0.214 264 Q C 1.662 177.683 176.000 0.034 0.000 0.971 264 Q CA 0.757 56.602 55.803 0.071 0.000 0.952 264 Q CB 0.023 28.820 28.738 0.099 0.000 0.999 264 Q HN 0.672 nan 8.270 nan 0.000 0.524 265 A N 0.491 123.321 122.820 0.016 0.000 2.172 265 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 265 A C 2.020 179.612 177.584 0.013 0.000 1.154 265 A CA 0.798 52.843 52.037 0.013 0.000 0.701 265 A CB -0.316 18.687 19.000 0.005 0.000 0.789 265 A HN 0.304 nan 8.150 nan 0.000 0.465 266 V N -0.475 119.444 119.914 0.008 0.000 2.358 266 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 266 V C 2.453 178.560 176.094 0.021 0.000 1.047 266 V CA 1.951 64.258 62.300 0.012 0.000 1.035 266 V CB -0.642 31.185 31.823 0.007 0.000 0.658 266 V HN 0.540 nan 8.190 nan 0.000 0.452 267 L N -0.145 121.093 121.223 0.025 0.000 2.046 267 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 267 L C 2.259 179.145 176.870 0.026 0.000 1.077 267 L CA 1.960 56.816 54.840 0.026 0.000 0.747 267 L CB -0.884 41.190 42.059 0.025 0.000 0.896 267 L HN 0.291 nan 8.230 nan 0.000 0.432 268 D N -0.470 119.946 120.400 0.027 0.000 2.144 268 D HA -0.195 4.444 4.640 -0.001 0.000 0.199 268 D C 2.424 178.749 176.300 0.043 0.000 0.984 268 D CA 0.876 54.897 54.000 0.035 0.000 0.834 268 D CB 0.204 41.025 40.800 0.035 0.000 0.955 268 D HN 0.121 nan 8.370 nan 0.000 0.465 269 R N 0.362 120.885 120.500 0.037 0.000 2.066 269 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 269 R C 2.175 178.498 176.300 0.039 0.000 1.131 269 R CA 1.274 57.397 56.100 0.039 0.000 0.955 269 R CB -0.240 30.078 30.300 0.031 0.000 0.851 269 R HN 0.104 nan 8.270 nan 0.000 0.432 270 N N 0.535 119.256 118.700 0.035 0.000 2.120 270 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 270 N C 1.686 177.219 175.510 0.037 0.000 1.024 270 N CA 1.361 54.433 53.050 0.038 0.000 0.852 270 N CB 0.003 38.511 38.487 0.034 0.000 1.003 270 N HN 0.272 nan 8.380 nan 0.000 0.424 271 L N 0.597 121.839 121.223 0.032 0.000 2.217 271 L HA -0.021 4.318 4.340 -0.001 0.000 0.211 271 L C 2.602 179.478 176.870 0.010 0.000 1.107 271 L CA 0.838 55.693 54.840 0.025 0.000 0.783 271 L CB -0.327 41.747 42.059 0.025 0.000 0.919 271 L HN 0.173 nan 8.230 nan 0.000 0.442 272 A N -0.169 122.665 122.820 0.023 0.000 1.930 272 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 272 A C 2.153 179.725 177.584 -0.020 0.000 1.175 272 A CA 1.363 53.411 52.037 0.018 0.000 0.627 272 A CB -0.242 18.794 19.000 0.061 0.000 0.815 272 A HN 0.424 nan 8.150 nan 0.000 0.443 273 E N 0.291 120.496 120.200 0.010 0.000 2.170 273 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 273 E C 1.131 177.745 176.600 0.024 0.000 0.981 273 E CA 0.860 57.270 56.400 0.017 0.000 0.830 273 E CB -0.296 29.433 29.700 0.049 0.000 0.775 273 E HN 0.915 nan 8.360 nan 0.000 0.470 274 N N 1.175 119.900 118.700 0.042 0.000 2.575 274 N HA -0.032 4.708 4.740 -0.001 0.000 0.192 274 N C 1.608 177.161 175.510 0.073 0.000 1.200 274 N CA 0.110 53.208 53.050 0.079 0.000 0.897 274 N CB -0.085 38.457 38.487 0.092 0.000 0.990 274 N HN 0.159 nan 8.380 nan 0.000 0.449 275 I N 0.796 121.357 120.570 -0.014 0.000 2.394 275 I HA -0.195 3.974 4.170 -0.001 0.000 0.251 275 I C 1.527 177.645 176.117 0.002 0.000 1.136 275 I CA 1.086 62.347 61.300 -0.065 0.000 1.425 275 I CB -0.001 37.788 38.000 -0.352 0.000 1.079 275 I HN 0.160 nan 8.210 nan 0.000 0.425 276 S N -0.203 115.498 115.700 0.003 0.000 2.535 276 S HA 0.147 4.616 4.470 -0.001 0.000 0.214 276 S C 1.800 176.512 174.600 0.186 0.000 0.980 276 S CA -0.133 58.104 58.200 0.061 0.000 0.907 276 S CB 0.080 63.303 63.200 0.039 0.000 0.790 276 S HN 0.345 nan 8.310 nan 0.000 0.510 277 R N 0.557 121.189 120.500 0.220 0.000 2.073 277 R HA 0.197 4.536 4.340 -0.001 0.000 0.229 277 R C 0.461 176.994 176.300 0.388 0.000 1.120 277 R CA 0.830 57.127 56.100 0.328 0.000 0.967 277 R CB -0.015 30.474 30.300 0.315 0.000 0.862 277 R HN 0.263 nan 8.270 nan 0.000 0.436 278 V N 0.084 120.154 119.914 0.261 0.000 3.147 278 V HA 0.286 4.405 4.120 -0.001 0.000 0.306 278 V C -0.628 175.298 176.094 -0.280 0.000 1.209 278 V CA -0.807 61.515 62.300 0.036 0.000 1.023 278 V CB 2.413 34.202 31.823 -0.056 0.000 1.059 278 V HN 0.018 nan 8.190 nan 0.000 0.435 279 L N 2.280 123.146 121.223 -0.595 0.000 2.855 279 L HA 0.621 4.960 4.340 -0.001 0.000 0.204 279 L C -0.978 175.369 176.870 -0.871 0.000 1.206 279 L CA -0.280 54.128 54.840 -0.721 0.000 0.942 279 L CB 1.000 42.651 42.059 -0.679 0.000 1.832 279 L HN 0.714 nan 8.230 nan 0.000 0.522 289 K N 0.893 121.293 120.400 0.001 0.000 3.064 289 K HA 0.507 4.826 4.320 -0.001 0.000 0.289 289 K C 1.545 178.204 176.600 0.098 0.000 0.975 289 K CA -0.533 55.800 56.287 0.076 0.000 1.380 289 K CB 0.333 32.866 32.500 0.056 0.000 3.395 289 K HN 0.267 nan 8.250 nan 0.000 1.073 290 E N 1.106 121.333 120.200 0.045 0.000 2.160 290 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 290 E C 1.774 178.327 176.600 -0.079 0.000 0.991 290 E CA 0.847 57.225 56.400 -0.037 0.000 0.810 290 E CB -0.090 29.597 29.700 -0.021 0.000 0.742 290 E HN 0.226 nan 8.360 nan 0.000 0.466 291 L N 0.641 121.854 121.223 -0.016 0.000 2.017 291 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 291 L C 2.708 179.609 176.870 0.050 0.000 1.073 291 L CA 1.430 56.281 54.840 0.019 0.000 0.745 291 L CB -0.243 41.882 42.059 0.111 0.000 0.894 291 L HN 0.071 nan 8.230 nan 0.000 0.432 292 R N 0.080 120.599 120.500 0.032 0.000 2.091 292 R HA -0.225 4.114 4.340 -0.001 0.000 0.238 292 R C 2.090 178.447 176.300 0.095 0.000 1.136 292 R CA 1.634 57.806 56.100 0.119 0.000 0.959 292 R CB -0.770 29.609 30.300 0.132 0.000 0.856 292 R HN 0.274 nan 8.270 nan 0.000 0.437 293 L N 0.801 121.913 121.223 -0.185 0.000 2.056 293 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 293 L C 1.746 178.509 176.870 -0.178 0.000 1.078 293 L CA 1.857 56.383 54.840 -0.524 0.000 0.749 293 L CB -0.444 40.933 42.059 -1.136 0.000 0.901 293 L HN 0.141 nan 8.230 nan 0.000 0.433 294 K N -0.810 119.506 120.400 -0.140 0.000 2.020 294 K HA -0.252 4.067 4.320 -0.001 0.000 0.212 294 K C 2.120 178.840 176.600 0.199 0.000 1.050 294 K CA 2.136 58.375 56.287 -0.079 0.000 0.929 294 K CB -0.317 31.987 32.500 -0.325 0.000 0.714 294 K HN 0.467 nan 8.250 nan 0.000 0.443 295 Q N 0.542 120.440 119.800 0.163 0.000 2.173 295 Q HA -0.234 4.106 4.340 -0.001 0.000 0.208 295 Q C 1.963 178.161 176.000 0.330 0.000 0.989 295 Q CA 1.685 57.650 55.803 0.270 0.000 0.872 295 Q CB -0.029 28.887 28.738 0.296 0.000 0.909 295 Q HN 0.390 nan 8.270 nan 0.000 0.420 296 E N -0.743 119.610 120.200 0.256 0.000 2.107 296 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 296 E C 1.650 178.392 176.600 0.237 0.000 0.982 296 E CA 0.756 57.302 56.400 0.244 0.000 0.809 296 E CB -0.077 29.751 29.700 0.213 0.000 0.756 296 E HN 0.332 nan 8.360 nan 0.000 0.459 297 Y N 0.621 120.989 120.300 0.113 0.000 2.163 297 Y HA -0.232 4.318 4.550 -0.001 0.000 0.288 297 Y C 1.976 177.936 175.900 0.100 0.000 1.136 297 Y CA 1.137 59.274 58.100 0.061 0.000 1.147 297 Y CB -0.554 37.939 38.460 0.055 0.000 0.987 297 Y HN 0.009 nan 8.280 nan 0.000 0.509 298 F N -0.121 119.836 119.950 0.011 0.000 2.063 298 F HA -0.331 4.196 4.527 -0.001 0.000 0.298 298 F C 2.499 178.160 175.800 -0.233 0.000 1.105 298 F CA 2.245 60.180 58.000 -0.108 0.000 1.215 298 F CB -1.106 37.970 39.000 0.127 0.000 0.972 298 F HN -0.029 nan 8.300 nan 0.000 0.483 299 V N -0.683 119.220 119.914 -0.019 0.000 2.427 299 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 299 V C 2.207 178.188 176.094 -0.188 0.000 1.051 299 V CA 1.754 64.016 62.300 -0.063 0.000 1.048 299 V CB -0.242 31.730 31.823 0.248 0.000 0.666 299 V HN 0.276 nan 8.190 nan 0.000 0.456 300 V N 0.139 119.945 119.914 -0.180 0.000 2.379 300 V HA -0.146 3.973 4.120 -0.001 0.000 0.245 300 V C 2.693 178.558 176.094 -0.382 0.000 1.044 300 V CA 1.999 64.182 62.300 -0.194 0.000 1.036 300 V CB -0.821 30.957 31.823 -0.074 0.000 0.664 300 V HN 0.613 nan 8.190 nan 0.000 0.453 301 A N -0.383 122.047 122.820 -0.650 0.000 1.929 301 A HA 0.030 4.349 4.320 -0.001 0.000 0.216 301 A C 2.345 179.550 177.584 -0.631 0.000 1.176 301 A CA 1.768 53.395 52.037 -0.685 0.000 0.628 301 A CB -0.569 17.790 19.000 -1.068 0.000 0.816 301 A HN 0.532 nan 8.150 nan 0.000 0.444 302 A N -0.877 121.398 122.820 -0.908 0.000 1.872 302 A HA -0.004 4.316 4.320 -0.001 0.000 0.214 302 A C 2.282 179.369 177.584 -0.830 0.000 1.187 302 A CA 2.072 53.372 52.037 -1.228 0.000 0.614 302 A CB -1.217 16.336 19.000 -2.411 0.000 0.826 302 A HN 0.398 nan 8.150 nan 0.000 0.442 303 T N 0.532 114.749 114.554 -0.561 0.000 2.684 303 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 303 T C 1.745 176.191 174.700 -0.423 0.000 1.036 303 T CA 1.698 63.588 62.100 -0.349 0.000 1.148 303 T CB -0.366 68.302 68.868 -0.334 0.000 0.863 303 T HN 0.204 nan 8.240 nan 0.000 0.436 304 L N 0.957 121.972 121.223 -0.346 0.000 2.083 304 L HA -0.058 4.282 4.340 -0.001 0.000 0.209 304 L C 2.734 179.492 176.870 -0.187 0.000 1.083 304 L CA 1.582 56.267 54.840 -0.259 0.000 0.752 304 L CB -0.730 41.220 42.059 -0.181 0.000 0.899 304 L HN 0.285 nan 8.230 nan 0.000 0.433 305 Q N -0.902 118.786 119.800 -0.186 0.000 2.096 305 Q HA -0.254 4.086 4.340 -0.001 0.000 0.204 305 Q C 1.816 177.789 176.000 -0.045 0.000 0.982 305 Q CA 1.698 57.441 55.803 -0.100 0.000 0.850 305 Q CB -0.162 28.500 28.738 -0.126 0.000 0.901 305 Q HN 0.448 nan 8.270 nan 0.000 0.422 306 D N 0.377 120.744 120.400 -0.055 0.000 2.117 306 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 306 D C 1.688 177.930 176.300 -0.096 0.000 0.987 306 D CA 0.826 54.834 54.000 0.015 0.000 0.829 306 D CB -0.042 40.853 40.800 0.160 0.000 0.961 306 D HN 0.174 nan 8.370 nan 0.000 0.460 307 I N 0.005 120.402 120.570 -0.289 0.000 2.142 307 I HA -0.239 3.930 4.170 -0.001 0.000 0.240 307 I C 2.258 178.357 176.117 -0.028 0.000 1.078 307 I CA 0.743 61.794 61.300 -0.415 0.000 1.343 307 I CB -0.100 37.507 38.000 -0.656 0.000 1.046 307 I HN -0.002 nan 8.210 nan 0.000 0.405 308 I N 0.141 120.767 120.570 0.093 0.000 2.286 308 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 308 I C 2.742 179.031 176.117 0.286 0.000 1.115 308 I CA 1.108 62.596 61.300 0.313 0.000 1.392 308 I CB -0.352 37.797 38.000 0.249 0.000 1.065 308 I HN 0.151 nan 8.210 nan 0.000 0.418 309 R N 0.909 121.504 120.500 0.158 0.000 2.080 309 R HA -0.177 4.162 4.340 -0.001 0.000 0.236 309 R C 2.463 178.850 176.300 0.144 0.000 1.137 309 R CA 1.643 57.825 56.100 0.136 0.000 0.943 309 R CB -0.164 30.197 30.300 0.101 0.000 0.846 309 R HN 0.265 nan 8.270 nan 0.000 0.431 310 R N -0.590 119.999 120.500 0.148 0.000 2.096 310 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 310 R C 2.231 178.620 176.300 0.148 0.000 1.127 310 R CA 1.575 57.776 56.100 0.168 0.000 0.968 310 R CB -0.471 29.919 30.300 0.150 0.000 0.861 310 R HN 0.232 nan 8.270 nan 0.000 0.440 311 F N 2.174 122.141 119.950 0.027 0.000 2.065 311 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 311 F C 1.860 177.653 175.800 -0.012 0.000 1.112 311 F CA 1.695 59.690 58.000 -0.008 0.000 1.212 311 F CB -0.099 38.934 39.000 0.054 0.000 0.975 311 F HN -0.181 nan 8.300 nan 0.000 0.476 312 K N -0.422 119.881 120.400 -0.162 0.000 2.025 312 K HA -0.027 4.293 4.320 -0.001 0.000 0.207 312 K C 0.883 177.390 176.600 -0.154 0.000 1.049 312 K CA 1.306 57.438 56.287 -0.258 0.000 0.933 312 K CB -0.400 32.076 32.500 -0.040 0.000 0.714 312 K HN 0.067 nan 8.250 nan 0.000 0.438 313 S N 1.257 116.946 115.700 -0.019 0.000 3.489 313 S HA 0.080 4.549 4.470 -0.001 0.000 0.227 313 S C 0.523 175.196 174.600 0.122 0.000 1.360 313 S CA -0.500 57.722 58.200 0.037 0.000 0.934 313 S CB 0.688 63.928 63.200 0.068 0.000 1.410 313 S HN 0.266 nan 8.310 nan 0.000 0.483 314 S N 1.021 116.748 115.700 0.045 0.000 2.526 314 S HA 0.222 4.691 4.470 -0.001 0.000 0.220 314 S C 0.503 175.191 174.600 0.147 0.000 1.017 314 S CA -0.410 57.841 58.200 0.084 0.000 0.930 314 S CB 0.035 63.187 63.200 -0.080 0.000 0.856 314 S HN 0.510 nan 8.310 nan 0.000 0.497 315 K N 1.594 122.052 120.400 0.097 0.000 2.339 315 K HA 0.201 4.520 4.320 -0.001 0.000 0.286 315 K C -0.796 175.898 176.600 0.158 0.000 1.050 315 K CA -0.730 55.622 56.287 0.108 0.000 0.956 315 K CB 0.196 32.723 32.500 0.046 0.000 0.990 315 K HN 0.232 nan 8.250 nan 0.000 0.475 316 F N 3.703 123.692 119.950 0.065 0.000 2.608 316 F HA 0.130 4.657 4.527 -0.001 0.000 0.380 316 F C 1.306 177.104 175.800 -0.003 0.000 1.083 316 F CA 1.862 59.894 58.000 0.053 0.000 1.266 316 F CB 0.355 39.382 39.000 0.045 0.000 1.076 316 F HN 0.917 nan 8.300 nan 0.000 0.574 317 G N 3.327 111.646 108.800 -0.801 0.000 2.184 317 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.264 317 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.264 317 G C -0.110 174.622 174.900 -0.280 0.000 0.975 317 G CA 0.037 44.778 45.100 -0.597 0.000 0.642 317 G HN 0.981 nan 8.290 nan 0.000 0.536 318 C N 0.634 119.819 119.300 -0.192 0.000 2.301 318 C HA 0.733 5.193 4.460 -0.001 0.000 0.323 318 C C 1.729 176.661 174.990 -0.096 0.000 1.265 318 C CA -0.472 58.483 59.018 -0.104 0.000 1.503 318 C CB 0.806 28.519 27.740 -0.044 0.000 2.195 318 C HN 0.499 nan 8.230 nan 0.000 0.477 319 R N 1.718 122.168 120.500 -0.083 0.000 2.193 319 R HA 0.031 4.371 4.340 -0.001 0.000 0.213 319 R C 0.120 176.408 176.300 -0.021 0.000 1.055 319 R CA 0.550 56.614 56.100 -0.059 0.000 0.995 319 R CB 0.033 30.306 30.300 -0.045 0.000 0.893 319 R HN 0.742 nan 8.270 nan 0.000 0.459 320 D N 1.611 121.999 120.400 -0.019 0.000 2.423 320 D HA 0.004 4.644 4.640 -0.001 0.000 0.238 320 D C -2.170 174.125 176.300 -0.008 0.000 1.142 320 D CA -1.492 52.503 54.000 -0.008 0.000 0.884 320 D CB 0.889 41.682 40.800 -0.011 0.000 1.199 320 D HN 0.104 nan 8.370 nan 0.000 0.438 321 P HA 0.027 nan 4.420 nan 0.000 0.237 321 P C 0.696 177.967 177.300 -0.048 0.000 1.788 321 P CA -0.065 63.025 63.100 -0.017 0.000 1.061 321 P CB 0.265 31.971 31.700 0.010 0.000 1.967 322 V N 2.010 121.884 119.914 -0.067 0.000 2.809 322 V HA -0.064 4.056 4.120 -0.001 0.000 0.256 322 V C 1.451 177.470 176.094 -0.125 0.000 1.080 322 V CA 1.206 63.461 62.300 -0.075 0.000 1.102 322 V CB -0.500 31.291 31.823 -0.054 0.000 0.705 322 V HN 0.323 nan 8.190 nan 0.000 0.475 323 R N 0.239 120.606 120.500 -0.222 0.000 2.275 323 R HA 0.273 4.613 4.340 -0.001 0.000 0.326 323 R C 0.284 176.340 176.300 -0.406 0.000 0.973 323 R CA 0.462 56.358 56.100 -0.340 0.000 0.854 323 R CB 1.054 31.036 30.300 -0.530 0.000 1.156 323 R HN 0.314 nan 8.270 nan 0.000 0.487 324 T N -0.111 114.301 114.554 -0.237 0.000 3.252 324 T HA 0.158 4.508 4.350 -0.001 0.000 0.286 324 T C -0.049 174.594 174.700 -0.095 0.000 1.013 324 T CA -0.574 61.425 62.100 -0.170 0.000 0.914 324 T CB -0.235 68.628 68.868 -0.008 0.000 1.131 324 T HN 0.491 nan 8.240 nan 0.000 0.529 325 N N 0.479 119.119 118.700 -0.100 0.000 2.469 325 N HA 0.434 5.174 4.740 -0.001 0.000 0.253 325 N C -0.303 175.289 175.510 0.137 0.000 0.970 325 N CA -0.942 52.145 53.050 0.062 0.000 0.940 325 N CB 0.523 39.049 38.487 0.064 0.000 1.128 325 N HN 0.106 nan 8.380 nan 0.000 0.503 326 F N 0.936 121.021 119.950 0.226 0.000 2.773 326 F HA 0.154 4.681 4.527 -0.001 0.000 0.304 326 F C 1.489 177.358 175.800 0.116 0.000 1.129 326 F CA -0.025 58.080 58.000 0.175 0.000 1.378 326 F CB 0.262 39.236 39.000 -0.044 0.000 1.095 326 F HN 0.572 nan 8.300 nan 0.000 0.565 327 D N 0.321 120.867 120.400 0.242 0.000 2.219 327 D HA -0.093 4.547 4.640 -0.001 0.000 0.205 327 D C 2.143 178.531 176.300 0.146 0.000 0.970 327 D CA 1.051 55.145 54.000 0.157 0.000 0.851 327 D CB 0.172 41.041 40.800 0.115 0.000 0.943 327 D HN 0.323 nan 8.370 nan 0.000 0.488 328 A N -0.051 122.886 122.820 0.194 0.000 2.251 328 A HA 0.020 4.340 4.320 -0.001 0.000 0.209 328 A C 1.623 179.295 177.584 0.148 0.000 1.187 328 A CA -0.238 51.907 52.037 0.180 0.000 0.823 328 A CB -0.512 18.613 19.000 0.208 0.000 0.846 328 A HN 0.095 nan 8.150 nan 0.000 0.486 329 F N 1.939 121.815 119.950 -0.123 0.000 2.065 329 F HA -0.111 4.415 4.527 -0.001 0.000 0.298 329 F C -0.813 174.859 175.800 -0.214 0.000 1.112 329 F CA 2.327 60.055 58.000 -0.453 0.000 1.212 329 F CB -0.601 38.143 39.000 -0.427 0.000 0.975 329 F HN 0.195 nan 8.300 nan 0.000 0.476 330 P HA -0.058 nan 4.420 nan 0.000 0.233 330 P C 0.584 177.838 177.300 -0.076 0.000 1.167 330 P CA 1.234 64.310 63.100 -0.040 0.000 0.770 330 P CB -0.034 31.660 31.700 -0.010 0.000 0.837 331 D N -0.866 119.501 120.400 -0.056 0.000 2.305 331 D HA -0.008 4.631 4.640 -0.001 0.000 0.206 331 D C 1.545 177.815 176.300 -0.051 0.000 0.974 331 D CA 0.894 54.874 54.000 -0.034 0.000 0.871 331 D CB 0.189 40.991 40.800 0.003 0.000 0.947 331 D HN 0.071 nan 8.370 nan 0.000 0.516 332 K N -0.434 119.908 120.400 -0.097 0.000 2.367 332 K HA 0.213 4.533 4.320 -0.001 0.000 0.195 332 K C -0.288 176.203 176.600 -0.182 0.000 1.060 332 K CA 0.178 56.411 56.287 -0.089 0.000 1.022 332 K CB 1.508 34.044 32.500 0.060 0.000 0.894 332 K HN -0.153 nan 8.250 nan 0.000 0.540 333 V N 0.609 120.323 119.914 -0.333 0.000 2.709 333 V HA 0.748 4.868 4.120 -0.001 0.000 0.308 333 V C -1.335 174.661 176.094 -0.165 0.000 1.062 333 V CA -1.241 60.873 62.300 -0.309 0.000 0.901 333 V CB 1.794 33.143 31.823 -0.790 0.000 1.003 333 V HN 0.065 nan 8.190 nan 0.000 0.425 334 A N 5.637 128.431 122.820 -0.043 0.000 2.343 334 A HA 0.908 5.228 4.320 -0.001 0.000 0.308 334 A C -1.039 176.575 177.584 0.050 0.000 1.092 334 A CA -0.422 51.613 52.037 -0.004 0.000 0.751 334 A CB 0.954 19.890 19.000 -0.107 0.000 1.203 334 A HN 0.754 nan 8.150 nan 0.000 0.452 335 I N 1.968 122.600 120.570 0.103 0.000 2.382 335 I HA 0.283 4.453 4.170 -0.001 0.000 0.285 335 I C -0.185 176.019 176.117 0.145 0.000 1.007 335 I CA -0.555 60.818 61.300 0.122 0.000 1.142 335 I CB 1.877 39.928 38.000 0.084 0.000 1.289 335 I HN 0.687 nan 8.210 nan 0.000 0.453 336 Q N 6.009 125.893 119.800 0.141 0.000 2.296 336 Q HA 0.411 4.751 4.340 -0.001 0.000 0.257 336 Q C -1.314 174.699 176.000 0.021 0.000 0.942 336 Q CA -0.352 55.554 55.803 0.172 0.000 0.939 336 Q CB 1.106 30.013 28.738 0.281 0.000 1.198 336 Q HN 0.445 nan 8.270 nan 0.000 0.429 337 L N 4.582 125.861 121.223 0.094 0.000 2.288 337 L HA 0.316 4.656 4.340 -0.001 0.000 0.283 337 L C -0.393 176.550 176.870 0.122 0.000 1.072 337 L CA -0.241 54.659 54.840 0.101 0.000 0.862 337 L CB 0.279 42.435 42.059 0.162 0.000 1.245 337 L HN 0.571 nan 8.230 nan 0.000 0.432 338 N N 3.780 122.481 118.700 0.001 0.000 2.421 338 N HA 0.090 4.830 4.740 -0.001 0.000 0.260 338 N C -0.113 175.520 175.510 0.206 0.000 1.173 338 N CA 0.544 53.660 53.050 0.112 0.000 0.960 338 N CB -0.099 38.385 38.487 -0.005 0.000 1.273 338 N HN 0.497 nan 8.380 nan 0.000 0.497 339 D N -0.323 120.246 120.400 0.281 0.000 5.703 339 D HA -0.219 4.420 4.640 -0.001 0.000 0.317 339 D C 0.532 176.929 176.300 0.161 0.000 2.508 339 D CA 1.458 55.592 54.000 0.222 0.000 1.333 339 D CB -0.342 40.448 40.800 -0.017 0.000 1.145 339 D HN 0.542 nan 8.370 nan 0.000 1.293 340 T N -2.426 112.131 114.554 0.005 0.000 3.113 340 T HA 0.013 4.362 4.350 -0.001 0.000 0.256 340 T C 1.632 176.377 174.700 0.074 0.000 1.131 340 T CA 1.766 63.870 62.100 0.007 0.000 1.074 340 T CB -0.418 68.441 68.868 -0.016 0.000 0.944 340 T HN 0.511 nan 8.240 nan 0.000 0.516 341 H N 2.843 122.031 119.070 0.197 0.000 2.289 341 H HA -0.031 4.524 4.556 -0.001 0.000 0.294 341 H C -0.805 174.639 175.328 0.193 0.000 1.095 341 H CA 1.542 57.717 56.048 0.212 0.000 1.256 341 H CB -1.260 28.621 29.762 0.197 0.000 1.359 341 H HN 0.436 nan 8.280 nan 0.000 0.487 342 P HA 0.011 nan 4.420 nan 0.000 0.255 342 P C 0.917 178.294 177.300 0.129 0.000 1.301 342 P CA 0.623 63.834 63.100 0.186 0.000 0.817 342 P CB 0.116 31.910 31.700 0.157 0.000 1.259 343 S N -0.064 115.707 115.700 0.117 0.000 2.402 343 S HA -0.194 4.276 4.470 -0.001 0.000 0.233 343 S C 1.776 176.414 174.600 0.065 0.000 1.030 343 S CA 1.061 59.293 58.200 0.052 0.000 1.003 343 S CB -1.654 61.560 63.200 0.023 0.000 0.813 343 S HN 0.169 nan 8.310 nan 0.000 0.477 344 L N 1.114 122.394 121.223 0.095 0.000 2.450 344 L HA -0.047 4.292 4.340 -0.001 0.000 0.224 344 L C 2.978 179.919 176.870 0.118 0.000 1.149 344 L CA 0.652 55.551 54.840 0.098 0.000 0.816 344 L CB -0.819 41.298 42.059 0.096 0.000 0.932 344 L HN 0.496 nan 8.230 nan 0.000 0.449 345 A N 0.701 123.571 122.820 0.083 0.000 1.917 345 A HA -0.249 4.070 4.320 -0.001 0.000 0.219 345 A C 2.137 179.749 177.584 0.047 0.000 1.182 345 A CA 1.776 53.844 52.037 0.052 0.000 0.633 345 A CB -0.560 18.459 19.000 0.032 0.000 0.819 345 A HN 0.375 nan 8.150 nan 0.000 0.448 346 I N 0.351 120.950 120.570 0.048 0.000 2.076 346 I HA -0.189 3.981 4.170 -0.001 0.000 0.237 346 I C -0.278 175.884 176.117 0.075 0.000 1.059 346 I CA 1.932 63.260 61.300 0.047 0.000 1.317 346 I CB -1.162 36.871 38.000 0.054 0.000 1.037 346 I HN 0.261 nan 8.210 nan 0.000 0.398 347 P HA -0.191 nan 4.420 nan 0.000 0.220 347 P C 1.299 178.637 177.300 0.064 0.000 1.148 347 P CA 1.602 64.757 63.100 0.092 0.000 0.803 347 P CB 0.005 31.784 31.700 0.132 0.000 0.782 348 E N 0.240 120.547 120.200 0.179 0.000 2.051 348 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 348 E C 1.977 178.587 176.600 0.016 0.000 0.991 348 E CA 0.741 57.264 56.400 0.203 0.000 0.799 348 E CB -1.257 28.622 29.700 0.299 0.000 0.748 348 E HN -0.026 nan 8.360 nan 0.000 0.449 349 L N 0.046 121.251 121.223 -0.029 0.000 2.012 349 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 349 L C 2.181 178.942 176.870 -0.182 0.000 1.073 349 L CA 1.902 56.669 54.840 -0.122 0.000 0.748 349 L CB -0.655 41.333 42.059 -0.118 0.000 0.891 349 L HN 0.275 nan 8.230 nan 0.000 0.431 350 M N -0.951 118.561 119.600 -0.146 0.000 2.149 350 M HA -0.231 4.249 4.480 -0.001 0.000 0.261 350 M C 2.430 178.599 176.300 -0.218 0.000 1.064 350 M CA 1.526 56.698 55.300 -0.213 0.000 1.102 350 M CB -1.261 31.235 32.600 -0.174 0.000 1.369 350 M HN 0.331 nan 8.290 nan 0.000 0.408 351 R N -0.165 120.227 120.500 -0.181 0.000 2.081 351 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 351 R C 2.038 178.251 176.300 -0.145 0.000 1.131 351 R CA 1.423 57.411 56.100 -0.186 0.000 0.960 351 R CB -0.059 30.087 30.300 -0.257 0.000 0.856 351 R HN 0.221 nan 8.270 nan 0.000 0.436 352 V N 1.235 121.061 119.914 -0.147 0.000 2.427 352 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 352 V C 2.273 178.219 176.094 -0.246 0.000 1.051 352 V CA 1.470 63.677 62.300 -0.155 0.000 1.048 352 V CB -0.288 31.446 31.823 -0.148 0.000 0.666 352 V HN 0.327 nan 8.190 nan 0.000 0.456 353 L N -0.807 120.214 121.223 -0.336 0.000 2.095 353 L HA -0.058 4.282 4.340 -0.001 0.000 0.204 353 L C 2.393 179.084 176.870 -0.298 0.000 1.080 353 L CA 0.853 55.427 54.840 -0.443 0.000 0.759 353 L CB -0.592 41.152 42.059 -0.525 0.000 0.914 353 L HN 0.183 nan 8.230 nan 0.000 0.439 354 V N -0.329 119.446 119.914 -0.233 0.000 2.302 354 V HA -0.190 3.929 4.120 -0.001 0.000 0.243 354 V C 1.987 178.032 176.094 -0.082 0.000 1.036 354 V CA 1.742 63.958 62.300 -0.140 0.000 1.020 354 V CB -0.355 31.401 31.823 -0.111 0.000 0.657 354 V HN 0.333 nan 8.190 nan 0.000 0.453 355 D N -0.139 120.214 120.400 -0.079 0.000 2.110 355 D HA -0.047 4.593 4.640 -0.001 0.000 0.202 355 D C 1.925 178.205 176.300 -0.033 0.000 0.975 355 D CA 1.097 55.076 54.000 -0.036 0.000 0.839 355 D CB -0.139 40.646 40.800 -0.025 0.000 0.996 355 D HN 0.196 nan 8.370 nan 0.000 0.464 356 L N 0.729 121.919 121.223 -0.054 0.000 2.121 356 L HA 0.036 4.375 4.340 -0.001 0.000 0.200 356 L C 2.051 178.891 176.870 -0.050 0.000 1.077 356 L CA 1.191 56.008 54.840 -0.037 0.000 0.766 356 L CB -0.555 41.486 42.059 -0.030 0.000 0.931 356 L HN -0.102 nan 8.230 nan 0.000 0.452 357 E N 0.024 120.154 120.200 -0.117 0.000 2.418 357 E HA -0.103 4.247 4.350 -0.001 0.000 0.197 357 E C 0.495 177.041 176.600 -0.091 0.000 1.026 357 E CA 0.072 56.392 56.400 -0.132 0.000 0.862 357 E CB -0.007 29.464 29.700 -0.381 0.000 0.799 357 E HN 0.148 nan 8.360 nan 0.000 0.518 358 R N -0.416 120.035 120.500 -0.083 0.000 3.770 358 R HA -0.157 4.182 4.340 -0.001 0.000 0.305 358 R C -0.322 175.953 176.300 -0.041 0.000 1.184 358 R CA 0.278 56.353 56.100 -0.041 0.000 0.823 358 R CB -2.255 28.042 30.300 -0.005 0.000 1.285 358 R HN 0.142 nan 8.270 nan 0.000 0.499 359 L N 0.854 122.021 121.223 -0.093 0.000 2.436 359 L HA 0.201 4.540 4.340 -0.001 0.000 0.265 359 L C 1.300 178.145 176.870 -0.041 0.000 1.168 359 L CA -0.234 54.563 54.840 -0.073 0.000 0.815 359 L CB 0.317 42.291 42.059 -0.142 0.000 1.109 359 L HN 0.217 nan 8.230 nan 0.000 0.462 360 D N 0.437 120.842 120.400 0.008 0.000 2.358 360 D HA -0.080 4.559 4.640 -0.001 0.000 0.244 360 D C 0.674 177.027 176.300 0.088 0.000 1.163 360 D CA -0.432 53.608 54.000 0.066 0.000 0.945 360 D CB 1.090 41.940 40.800 0.083 0.000 1.152 360 D HN 0.560 nan 8.370 nan 0.000 0.451 361 W N 0.799 122.098 121.300 -0.001 0.000 2.315 361 W HA -0.192 4.468 4.660 -0.000 0.000 0.323 361 W C 2.042 178.602 176.519 0.068 0.000 1.233 361 W CA 1.927 59.278 57.345 0.009 0.000 1.267 361 W CB -0.180 29.264 29.460 -0.026 0.000 1.160 361 W HN 0.460 nan 8.180 nan 0.000 0.474 362 D N -0.194 120.433 120.400 0.379 0.000 2.104 362 D HA -0.217 4.423 4.640 -0.001 0.000 0.194 362 D C 1.860 178.279 176.300 0.198 0.000 0.994 362 D CA 1.680 55.876 54.000 0.326 0.000 0.830 362 D CB -0.604 40.342 40.800 0.243 0.000 0.959 362 D HN 0.039 nan 8.370 nan 0.000 0.452 363 K N 1.244 121.711 120.400 0.112 0.000 2.057 363 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 363 K C 1.820 178.411 176.600 -0.015 0.000 1.049 363 K CA 1.441 57.759 56.287 0.051 0.000 0.931 363 K CB -0.523 31.999 32.500 0.038 0.000 0.714 363 K HN 0.045 nan 8.250 nan 0.000 0.440 364 A N -0.122 122.647 122.820 -0.085 0.000 1.968 364 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 364 A C 2.182 179.660 177.584 -0.176 0.000 1.169 364 A CA 1.110 53.024 52.037 -0.205 0.000 0.638 364 A CB -0.946 17.861 19.000 -0.321 0.000 0.812 364 A HN 0.665 nan 8.150 nan 0.000 0.446 365 W N 0.663 121.747 121.300 -0.361 0.000 2.407 365 W HA -0.122 4.538 4.660 -0.001 0.000 0.305 365 W C 1.875 178.325 176.519 -0.115 0.000 1.196 365 W CA 1.577 58.739 57.345 -0.305 0.000 1.311 365 W CB -0.123 29.190 29.460 -0.246 0.000 1.135 365 W HN 0.543 nan 8.180 nan 0.000 0.514 366 E N 0.256 120.426 120.200 -0.051 0.000 2.097 366 E HA -0.238 4.112 4.350 -0.001 0.000 0.196 366 E C 2.052 178.563 176.600 -0.149 0.000 1.000 366 E CA 1.917 58.252 56.400 -0.109 0.000 0.804 366 E CB -0.250 29.457 29.700 0.012 0.000 0.740 366 E HN 0.081 nan 8.360 nan 0.000 0.454 367 V N 0.595 120.438 119.914 -0.117 0.000 2.261 367 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 367 V C 2.398 178.418 176.094 -0.124 0.000 1.047 367 V CA 2.240 64.487 62.300 -0.089 0.000 1.015 367 V CB -0.823 30.935 31.823 -0.108 0.000 0.642 367 V HN 0.381 nan 8.190 nan 0.000 0.446 368 T N 0.130 114.548 114.554 -0.226 0.000 2.635 368 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 368 T C 1.912 176.445 174.700 -0.279 0.000 1.040 368 T CA 1.970 63.919 62.100 -0.252 0.000 1.156 368 T CB -0.407 68.268 68.868 -0.321 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.430 369 V N 1.429 121.057 119.914 -0.478 0.000 2.332 369 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 369 V C 2.414 178.458 176.094 -0.084 0.000 1.055 369 V CA 1.627 63.701 62.300 -0.376 0.000 1.038 369 V CB -0.498 31.006 31.823 -0.532 0.000 0.651 369 V HN 0.472 nan 8.190 nan 0.000 0.450 370 K N -0.509 119.829 120.400 -0.104 0.000 2.362 370 K HA -0.088 4.232 4.320 -0.001 0.000 0.200 370 K C 2.038 178.618 176.600 -0.033 0.000 1.046 370 K CA 1.503 57.725 56.287 -0.109 0.000 0.952 370 K CB -0.147 32.281 32.500 -0.120 0.000 0.753 370 K HN 0.514 nan 8.250 nan 0.000 0.466 371 T N 0.018 114.606 114.554 0.055 0.000 3.010 371 T HA 0.034 4.384 4.350 -0.001 0.000 0.252 371 T C 0.953 175.759 174.700 0.176 0.000 1.047 371 T CA 0.300 62.463 62.100 0.106 0.000 1.140 371 T CB 0.162 69.119 68.868 0.148 0.000 0.885 371 T HN 0.135 nan 8.240 nan 0.000 0.464 372 C N 2.211 121.603 119.300 0.152 0.000 2.370 372 C HA 0.896 5.355 4.460 -0.001 0.000 0.354 372 C C 0.499 175.548 174.990 0.099 0.000 1.218 372 C CA -1.035 58.051 59.018 0.114 0.000 2.154 372 C CB 0.333 28.084 27.740 0.018 0.000 2.391 372 C HN 0.609 nan 8.230 nan 0.000 0.540 373 A N 1.836 124.711 122.820 0.091 0.000 2.515 373 A HA 0.737 5.056 4.320 -0.001 0.000 0.298 373 A C -1.725 175.943 177.584 0.139 0.000 1.059 373 A CA -0.359 51.692 52.037 0.023 0.000 0.698 373 A CB 1.114 20.153 19.000 0.064 0.000 1.289 373 A HN 0.902 nan 8.150 nan 0.000 0.404 374 Y N 1.084 121.344 120.300 -0.067 0.000 2.350 374 Y HA 0.668 5.217 4.550 -0.001 0.000 0.338 374 Y C -0.480 175.409 175.900 -0.019 0.000 0.961 374 Y CA -0.503 57.569 58.100 -0.047 0.000 1.100 374 Y CB 1.977 40.364 38.460 -0.121 0.000 1.179 374 Y HN 0.567 nan 8.280 nan 0.000 0.454 375 T N 6.892 121.288 114.554 -0.264 0.000 2.767 375 T HA 0.225 4.574 4.350 -0.001 0.000 0.284 375 T C -0.671 173.604 174.700 -0.708 0.000 0.973 375 T CA -0.703 61.164 62.100 -0.388 0.000 0.996 375 T CB 0.254 69.103 68.868 -0.033 0.000 0.927 375 T HN 0.628 nan 8.240 nan 0.000 0.456 376 N N 1.634 119.930 118.700 -0.673 0.000 2.438 376 N HA 0.156 4.895 4.740 -0.001 0.000 0.282 376 N C 0.329 175.754 175.510 -0.143 0.000 1.037 376 N CA -0.286 52.578 53.050 -0.311 0.000 0.942 376 N CB 0.815 39.268 38.487 -0.057 0.000 1.136 376 N HN 0.661 nan 8.380 nan 0.000 0.481 377 H N 0.462 119.572 119.070 0.066 0.000 2.788 377 H HA 0.052 4.607 4.556 -0.001 0.000 0.262 377 H C 0.320 175.563 175.328 -0.141 0.000 0.968 377 H CA 0.316 56.345 56.048 -0.032 0.000 1.218 377 H CB 0.773 30.532 29.762 -0.005 0.000 1.443 377 H HN 0.585 nan 8.280 nan 0.000 0.478 378 T N -1.338 113.272 114.554 0.093 0.000 2.899 378 T HA 0.259 4.608 4.350 -0.001 0.000 0.284 378 T C 1.243 175.951 174.700 0.013 0.000 1.004 378 T CA -0.439 61.676 62.100 0.025 0.000 1.043 378 T CB 2.303 71.203 68.868 0.055 0.000 1.013 378 T HN -0.053 nan 8.240 nan 0.000 0.518 379 V N 1.503 121.388 119.914 -0.048 0.000 2.949 379 V HA 0.440 4.559 4.120 -0.001 0.000 0.245 379 V C 0.158 176.230 176.094 -0.037 0.000 1.086 379 V CA 0.540 62.822 62.300 -0.029 0.000 1.097 379 V CB -0.443 31.328 31.823 -0.087 0.000 0.762 379 V HN 0.767 nan 8.190 nan 0.000 0.470 380 L N 0.232 121.417 121.223 -0.063 0.000 2.386 380 L HA 0.462 4.801 4.340 -0.001 0.000 0.271 380 L C -1.758 175.072 176.870 -0.066 0.000 0.993 380 L CA -1.627 53.170 54.840 -0.072 0.000 0.819 380 L CB 1.882 43.895 42.059 -0.076 0.000 1.294 380 L HN -0.092 nan 8.230 nan 0.000 0.414 381 P HA -0.185 nan 4.420 nan 0.000 0.221 381 P C 0.603 177.876 177.300 -0.046 0.000 1.141 381 P CA 1.123 64.181 63.100 -0.069 0.000 0.794 381 P CB 0.369 32.033 31.700 -0.061 0.000 0.764 382 E N -1.068 119.106 120.200 -0.044 0.000 2.250 382 E HA 0.071 4.420 4.350 -0.001 0.000 0.192 382 E C 2.033 178.608 176.600 -0.041 0.000 0.986 382 E CA 0.808 57.184 56.400 -0.040 0.000 0.849 382 E CB -0.846 28.834 29.700 -0.033 0.000 0.797 382 E HN 0.136 nan 8.360 nan 0.000 0.482 383 A N 0.446 123.246 122.820 -0.034 0.000 2.168 383 A HA 0.009 4.329 4.320 -0.001 0.000 0.215 383 A C 0.445 178.018 177.584 -0.018 0.000 1.152 383 A CA 0.085 52.108 52.037 -0.023 0.000 0.716 383 A CB -0.245 18.746 19.000 -0.014 0.000 0.794 383 A HN 0.093 nan 8.150 nan 0.000 0.465 384 L N 1.212 122.425 121.223 -0.017 0.000 2.513 384 L HA 0.093 4.433 4.340 -0.001 0.000 0.272 384 L C 0.717 177.542 176.870 -0.075 0.000 1.187 384 L CA 0.242 55.078 54.840 -0.006 0.000 0.895 384 L CB -0.409 41.659 42.059 0.016 0.000 1.147 384 L HN 0.413 nan 8.230 nan 0.000 0.483 385 E N 4.022 124.169 120.200 -0.089 0.000 2.376 385 E HA 0.249 4.599 4.350 -0.001 0.000 0.266 385 E C -0.563 175.865 176.600 -0.286 0.000 1.009 385 E CA -0.153 56.121 56.400 -0.210 0.000 0.902 385 E CB 0.477 30.095 29.700 -0.136 0.000 0.972 385 E HN 0.428 nan 8.360 nan 0.000 0.439 386 R N 3.426 123.643 120.500 -0.473 0.000 2.651 386 R HA 0.420 4.760 4.340 -0.001 0.000 0.278 386 R C -1.581 174.384 176.300 -0.558 0.000 1.010 386 R CA -0.603 55.272 56.100 -0.375 0.000 0.896 386 R CB 1.409 31.584 30.300 -0.209 0.000 1.211 386 R HN 0.465 nan 8.270 nan 0.000 0.456 387 W N 3.387 124.655 121.300 -0.052 0.000 2.683 387 W HA 0.390 5.049 4.660 -0.001 0.000 0.329 387 W C -2.131 174.319 176.519 -0.115 0.000 1.037 387 W CA -2.201 55.099 57.345 -0.076 0.000 1.232 387 W CB 1.606 31.021 29.460 -0.074 0.000 1.390 387 W HN 0.315 nan 8.180 nan 0.000 0.465 388 P HA -0.106 nan 4.420 nan 0.000 0.265 388 P C 0.807 177.983 177.300 -0.208 0.000 1.187 388 P CA 0.325 63.334 63.100 -0.152 0.000 0.766 388 P CB 0.966 32.430 31.700 -0.392 0.000 0.820 389 V N 1.721 121.543 119.914 -0.155 0.000 2.261 389 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 389 V C 2.343 178.385 176.094 -0.086 0.000 1.047 389 V CA 2.365 64.621 62.300 -0.073 0.000 1.015 389 V CB -2.588 29.269 31.823 0.057 0.000 0.642 389 V HN 0.644 nan 8.190 nan 0.000 0.446 390 H N 0.170 119.283 119.070 0.073 0.000 2.431 390 H HA -0.150 4.405 4.556 -0.001 0.000 0.297 390 H C 2.065 177.427 175.328 0.057 0.000 1.115 390 H CA 2.138 58.225 56.048 0.066 0.000 1.277 390 H CB -0.933 28.869 29.762 0.066 0.000 1.372 390 H HN 0.443 nan 8.280 nan 0.000 0.516 391 L N -0.453 120.722 121.223 -0.080 0.000 1.973 391 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 391 L C 2.147 178.990 176.870 -0.045 0.000 1.073 391 L CA 0.878 55.731 54.840 0.021 0.000 0.746 391 L CB -0.283 41.762 42.059 -0.023 0.000 0.891 391 L HN 0.286 nan 8.230 nan 0.000 0.433 392 L N 0.254 121.412 121.223 -0.109 0.000 2.021 392 L HA -0.320 4.019 4.340 -0.001 0.000 0.215 392 L C 2.506 179.318 176.870 -0.097 0.000 1.074 392 L CA 1.930 56.681 54.840 -0.148 0.000 0.760 392 L CB -1.349 40.615 42.059 -0.159 0.000 0.889 392 L HN 0.434 nan 8.230 nan 0.000 0.433 393 E N -1.187 118.992 120.200 -0.036 0.000 2.118 393 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 393 E C 1.858 178.490 176.600 0.054 0.000 0.992 393 E CA 1.872 58.280 56.400 0.015 0.000 0.804 393 E CB 0.149 29.892 29.700 0.072 0.000 0.741 393 E HN 0.466 nan 8.360 nan 0.000 0.458 394 T N 0.482 115.089 114.554 0.087 0.000 2.857 394 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 394 T C 1.690 176.501 174.700 0.184 0.000 1.048 394 T CA 1.159 63.359 62.100 0.166 0.000 1.139 394 T CB 0.024 69.017 68.868 0.208 0.000 0.874 394 T HN 0.188 nan 8.240 nan 0.000 0.455 395 L N -0.946 120.278 121.223 0.002 0.000 2.577 395 L HA 0.443 4.782 4.340 -0.001 0.000 0.225 395 L C -0.193 176.610 176.870 -0.112 0.000 1.053 395 L CA 0.523 55.229 54.840 -0.224 0.000 0.866 395 L CB 0.591 42.436 42.059 -0.357 0.000 1.132 395 L HN 0.005 nan 8.230 nan 0.000 0.486 396 L N 1.923 123.052 121.223 -0.155 0.000 2.839 396 L HA 0.420 4.760 4.340 -0.001 0.000 0.259 396 L C -1.768 174.947 176.870 -0.258 0.000 1.369 396 L CA -1.514 53.167 54.840 -0.264 0.000 0.845 396 L CB 0.466 42.239 42.059 -0.478 0.000 1.181 396 L HN -0.026 nan 8.230 nan 0.000 0.529 397 P HA -0.203 nan 4.420 nan 0.000 0.216 397 P C 1.584 178.711 177.300 -0.289 0.000 1.150 397 P CA 1.085 64.080 63.100 -0.175 0.000 0.837 397 P CB 0.505 32.166 31.700 -0.064 0.000 0.786 398 R N -0.378 119.779 120.500 -0.572 0.000 2.092 398 R HA -0.117 4.222 4.340 -0.001 0.000 0.231 398 R C 2.566 178.582 176.300 -0.472 0.000 1.119 398 R CA 1.407 57.164 56.100 -0.571 0.000 0.970 398 R CB -1.225 28.540 30.300 -0.893 0.000 0.864 398 R HN 0.267 nan 8.270 nan 0.000 0.440 399 H N 0.087 118.860 119.070 -0.495 0.000 2.421 399 H HA -0.114 4.441 4.556 -0.001 0.000 0.298 399 H C 1.989 177.155 175.328 -0.269 0.000 1.087 399 H CA 1.512 57.352 56.048 -0.347 0.000 1.330 399 H CB -0.004 29.521 29.762 -0.395 0.000 1.388 399 H HN 0.228 nan 8.280 nan 0.000 0.526 400 L N 0.972 122.087 121.223 -0.180 0.000 1.970 400 L HA -0.260 4.080 4.340 -0.001 0.000 0.212 400 L C 2.459 179.170 176.870 -0.265 0.000 1.071 400 L CA 1.518 56.188 54.840 -0.284 0.000 0.751 400 L CB -0.345 41.568 42.059 -0.243 0.000 0.889 400 L HN 0.336 nan 8.230 nan 0.000 0.432 401 Q N -0.364 119.375 119.800 -0.102 0.000 2.112 401 Q HA -0.271 4.069 4.340 -0.001 0.000 0.206 401 Q C 2.149 178.170 176.000 0.035 0.000 0.987 401 Q CA 1.881 57.706 55.803 0.037 0.000 0.858 401 Q CB -0.167 28.592 28.738 0.035 0.000 0.905 401 Q HN 0.562 nan 8.270 nan 0.000 0.420 402 I N 0.159 120.717 120.570 -0.021 0.000 2.252 402 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 402 I C 2.114 178.276 176.117 0.075 0.000 1.102 402 I CA 1.011 62.346 61.300 0.058 0.000 1.385 402 I CB -0.128 37.858 38.000 -0.022 0.000 1.064 402 I HN 0.221 nan 8.210 nan 0.000 0.414 403 I N -0.454 120.104 120.570 -0.020 0.000 2.226 403 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 403 I C 2.403 178.534 176.117 0.024 0.000 1.100 403 I CA 1.436 62.717 61.300 -0.031 0.000 1.374 403 I CB -0.443 37.482 38.000 -0.125 0.000 1.057 403 I HN 0.144 nan 8.210 nan 0.000 0.413 404 Y N 0.897 121.201 120.300 0.006 0.000 2.207 404 Y HA -0.283 4.267 4.550 -0.001 0.000 0.287 404 Y C 2.600 178.464 175.900 -0.059 0.000 1.156 404 Y CA 1.586 59.678 58.100 -0.015 0.000 1.182 404 Y CB -0.751 37.696 38.460 -0.023 0.000 0.979 404 Y HN 0.217 nan 8.280 nan 0.000 0.521 405 E N 0.343 120.590 120.200 0.077 0.000 2.072 405 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 405 E C 2.088 178.545 176.600 -0.239 0.000 0.985 405 E CA 1.207 57.520 56.400 -0.145 0.000 0.801 405 E CB -0.547 29.041 29.700 -0.186 0.000 0.750 405 E HN 0.464 nan 8.360 nan 0.000 0.452 406 I N 0.802 121.358 120.570 -0.024 0.000 2.208 406 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 406 I C 2.242 178.341 176.117 -0.030 0.000 1.097 406 I CA 1.458 62.716 61.300 -0.069 0.000 1.363 406 I CB -0.397 37.577 38.000 -0.043 0.000 1.051 406 I HN 0.208 nan 8.210 nan 0.000 0.413 407 N N 0.551 119.286 118.700 0.058 0.000 2.120 407 N HA -0.242 4.497 4.740 -0.001 0.000 0.188 407 N C 1.886 177.463 175.510 0.113 0.000 1.024 407 N CA 1.383 54.522 53.050 0.147 0.000 0.852 407 N CB -0.095 38.504 38.487 0.186 0.000 1.003 407 N HN 0.298 nan 8.380 nan 0.000 0.424 408 Q N -0.094 119.712 119.800 0.010 0.000 2.084 408 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 408 Q C 1.901 177.866 176.000 -0.058 0.000 0.978 408 Q CA 1.218 56.996 55.803 -0.040 0.000 0.844 408 Q CB 0.055 28.730 28.738 -0.104 0.000 0.898 408 Q HN 0.391 nan 8.270 nan 0.000 0.426 409 R N -0.819 119.611 120.500 -0.117 0.000 2.115 409 R HA -0.087 4.253 4.340 -0.001 0.000 0.226 409 R C 2.060 178.378 176.300 0.030 0.000 1.100 409 R CA 1.009 57.043 56.100 -0.109 0.000 0.980 409 R CB -0.222 29.928 30.300 -0.249 0.000 0.875 409 R HN 0.230 nan 8.270 nan 0.000 0.445 410 F N 1.255 121.178 119.950 -0.046 0.000 2.186 410 F HA -0.066 4.461 4.527 -0.001 0.000 0.299 410 F C 1.696 177.524 175.800 0.046 0.000 1.090 410 F CA 1.251 59.284 58.000 0.054 0.000 1.307 410 F CB -0.003 39.065 39.000 0.112 0.000 1.019 410 F HN -0.110 nan 8.300 nan 0.000 0.489 411 L N -0.254 120.981 121.223 0.021 0.000 2.217 411 L HA -0.169 4.171 4.340 -0.001 0.000 0.211 411 L C 1.859 178.669 176.870 -0.101 0.000 1.107 411 L CA 1.283 56.078 54.840 -0.074 0.000 0.783 411 L CB -0.753 41.318 42.059 0.020 0.000 0.919 411 L HN 0.159 nan 8.230 nan 0.000 0.442 412 N N -0.165 118.491 118.700 -0.075 0.000 2.142 412 N HA -0.119 4.621 4.740 -0.001 0.000 0.186 412 N C 1.894 177.356 175.510 -0.080 0.000 1.023 412 N CA 0.786 53.794 53.050 -0.069 0.000 0.852 412 N CB -0.001 38.450 38.487 -0.060 0.000 0.998 412 N HN 0.147 nan 8.380 nan 0.000 0.424 413 R N 0.323 120.764 120.500 -0.098 0.000 2.117 413 R HA -0.101 4.239 4.340 -0.001 0.000 0.243 413 R C 1.897 178.109 176.300 -0.146 0.000 1.143 413 R CA 1.016 57.054 56.100 -0.102 0.000 0.968 413 R CB -0.424 29.827 30.300 -0.081 0.000 0.863 413 R HN 0.127 nan 8.270 nan 0.000 0.444 414 V N 0.658 120.428 119.914 -0.241 0.000 2.307 414 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 414 V C 2.440 178.535 176.094 0.001 0.000 1.045 414 V CA 1.820 64.036 62.300 -0.141 0.000 1.024 414 V CB -0.680 30.979 31.823 -0.273 0.000 0.651 414 V HN 0.410 nan 8.190 nan 0.000 0.449 415 A N 0.327 123.121 122.820 -0.043 0.000 1.873 415 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 415 A C 2.408 179.984 177.584 -0.012 0.000 1.193 415 A CA 2.600 54.628 52.037 -0.015 0.000 0.629 415 A CB -0.995 17.985 19.000 -0.033 0.000 0.826 415 A HN 0.611 nan 8.150 nan 0.000 0.447 416 A N -0.843 121.952 122.820 -0.042 0.000 2.015 416 A HA 0.253 4.573 4.320 -0.001 0.000 0.219 416 A C 2.328 179.848 177.584 -0.106 0.000 1.163 416 A CA 1.883 53.885 52.037 -0.059 0.000 0.646 416 A CB -0.698 18.269 19.000 -0.055 0.000 0.806 416 A HN 1.120 nan 8.150 nan 0.000 0.448 417 A N -2.118 120.618 122.820 -0.141 0.000 2.132 417 A HA 0.437 4.757 4.320 -0.001 0.000 0.213 417 A C 0.319 177.494 177.584 -0.681 0.000 1.154 417 A CA 0.387 52.203 52.037 -0.368 0.000 0.753 417 A CB -0.111 18.673 19.000 -0.361 0.000 0.826 417 A HN 0.412 nan 8.150 nan 0.000 0.469 418 F N -0.208 119.697 119.950 -0.075 0.000 2.794 418 F HA 0.328 4.854 4.527 -0.001 0.000 0.353 418 F C -2.777 172.988 175.800 -0.059 0.000 1.371 418 F CA -2.460 55.500 58.000 -0.067 0.000 1.173 418 F CB 0.852 39.804 39.000 -0.080 0.000 1.693 418 F HN -0.085 nan 8.300 nan 0.000 0.606 419 P HA 0.133 nan 4.420 nan 0.000 0.266 419 P C 1.027 178.350 177.300 0.038 0.000 1.193 419 P CA 0.985 64.101 63.100 0.027 0.000 0.770 419 P CB 0.781 32.479 31.700 -0.004 0.000 0.836 420 G N 1.165 109.977 108.800 0.019 0.000 2.200 420 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 420 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 420 G C 0.129 175.037 174.900 0.014 0.000 0.993 420 G CA 0.265 45.372 45.100 0.012 0.000 0.701 420 G HN 0.637 nan 8.290 nan 0.000 0.524 421 D N 0.295 120.709 120.400 0.023 0.000 2.479 421 D HA 0.481 5.120 4.640 -0.001 0.000 0.218 421 D C 1.610 177.899 176.300 -0.019 0.000 1.131 421 D CA -0.156 53.845 54.000 0.002 0.000 0.916 421 D CB 0.841 41.644 40.800 0.005 0.000 1.022 421 D HN 0.044 nan 8.370 nan 0.000 0.515 422 V N 2.742 122.645 119.914 -0.017 0.000 2.591 422 V HA -0.109 4.010 4.120 -0.001 0.000 0.249 422 V C 1.765 177.845 176.094 -0.024 0.000 1.053 422 V CA 0.925 63.215 62.300 -0.018 0.000 1.068 422 V CB -0.153 31.663 31.823 -0.011 0.000 0.689 422 V HN 0.406 nan 8.190 nan 0.000 0.462 423 D N 1.238 121.620 120.400 -0.029 0.000 2.077 423 D HA -0.188 4.451 4.640 -0.001 0.000 0.196 423 D C 2.294 178.566 176.300 -0.047 0.000 0.986 423 D CA 1.920 55.903 54.000 -0.030 0.000 0.829 423 D CB -0.272 40.510 40.800 -0.030 0.000 0.983 423 D HN 0.522 nan 8.370 nan 0.000 0.453 424 R N 0.801 121.248 120.500 -0.089 0.000 2.120 424 R HA -0.114 4.225 4.340 -0.001 0.000 0.234 424 R C 2.254 178.477 176.300 -0.128 0.000 1.123 424 R CA 0.796 56.810 56.100 -0.144 0.000 0.975 424 R CB -0.706 29.436 30.300 -0.262 0.000 0.866 424 R HN 0.046 nan 8.270 nan 0.000 0.446 425 L N 1.897 123.064 121.223 -0.093 0.000 1.978 425 L HA -0.224 4.115 4.340 -0.001 0.000 0.218 425 L C 2.373 179.234 176.870 -0.015 0.000 1.075 425 L CA 2.419 57.222 54.840 -0.061 0.000 0.767 425 L CB -0.510 41.527 42.059 -0.036 0.000 0.890 425 L HN 0.397 nan 8.230 nan 0.000 0.434 426 R N -1.656 118.847 120.500 0.005 0.000 2.276 426 R HA 0.029 4.369 4.340 -0.001 0.000 0.203 426 R C 2.060 178.405 176.300 0.075 0.000 1.017 426 R CA 0.603 56.731 56.100 0.047 0.000 1.010 426 R CB -0.566 29.760 30.300 0.042 0.000 0.900 426 R HN 0.238 nan 8.270 nan 0.000 0.469 427 R N 0.341 120.864 120.500 0.040 0.000 2.115 427 R HA 0.135 4.474 4.340 -0.001 0.000 0.226 427 R C 1.578 177.946 176.300 0.115 0.000 1.100 427 R CA 1.391 57.537 56.100 0.077 0.000 0.980 427 R CB -0.068 30.241 30.300 0.015 0.000 0.875 427 R HN 0.304 nan 8.270 nan 0.000 0.445 428 M N -0.157 119.437 119.600 -0.010 0.000 2.441 428 M HA 0.052 4.532 4.480 -0.001 0.000 0.244 428 M C 0.713 177.124 176.300 0.185 0.000 1.122 428 M CA -0.043 55.185 55.300 -0.120 0.000 1.041 428 M CB 0.736 33.083 32.600 -0.421 0.000 1.438 428 M HN -0.115 nan 8.290 nan 0.000 0.484 429 S N 0.863 116.710 115.700 0.245 0.000 2.560 429 S HA 0.106 4.576 4.470 -0.001 0.000 0.284 429 S C 1.172 176.034 174.600 0.436 0.000 1.327 429 S CA -0.337 58.045 58.200 0.303 0.000 1.055 429 S CB 0.587 63.910 63.200 0.206 0.000 0.868 429 S HN 0.385 nan 8.310 nan 0.000 0.506 430 L N 3.929 125.364 121.223 0.354 0.000 2.291 430 L HA 0.086 4.426 4.340 -0.001 0.000 0.214 430 L C 0.414 177.409 176.870 0.208 0.000 1.120 430 L CA 0.328 55.343 54.840 0.291 0.000 0.799 430 L CB -0.555 41.619 42.059 0.193 0.000 0.925 430 L HN 0.394 nan 8.230 nan 0.000 0.446 431 V N 1.037 121.080 119.914 0.215 0.000 2.385 431 V HA 0.159 4.278 4.120 -0.001 0.000 0.269 431 V C 0.066 176.252 176.094 0.154 0.000 1.043 431 V CA -0.374 62.037 62.300 0.186 0.000 0.906 431 V CB 1.207 33.167 31.823 0.228 0.000 0.995 431 V HN 0.189 nan 8.190 nan 0.000 0.467 432 E N 3.767 124.036 120.200 0.115 0.000 2.166 432 E HA 0.406 4.755 4.350 -0.001 0.000 0.275 432 E C -0.582 176.063 176.600 0.075 0.000 0.941 432 E CA -0.605 55.850 56.400 0.091 0.000 0.784 432 E CB 1.705 31.439 29.700 0.057 0.000 1.115 432 E HN 0.632 nan 8.360 nan 0.000 0.399 433 E N 1.072 121.313 120.200 0.069 0.000 2.250 433 E HA 0.635 4.985 4.350 -0.001 0.000 0.265 433 E C 0.215 176.842 176.600 0.046 0.000 1.033 433 E CA -0.506 55.928 56.400 0.057 0.000 0.888 433 E CB 1.930 31.661 29.700 0.052 0.000 1.151 433 E HN 0.740 nan 8.360 nan 0.000 0.412 434 G N -0.196 108.630 108.800 0.043 0.000 2.373 434 G HA2 0.268 4.228 3.960 -0.001 0.000 0.250 434 G HA3 0.268 4.228 3.960 -0.001 0.000 0.250 434 G C -1.439 173.485 174.900 0.039 0.000 1.304 434 G CA -0.319 44.803 45.100 0.036 0.000 0.948 434 G HN 0.530 nan 8.290 nan 0.000 0.474 435 A N -0.195 122.647 122.820 0.037 0.000 2.444 435 A HA 0.693 5.013 4.320 -0.001 0.000 0.287 435 A C 0.798 178.419 177.584 0.061 0.000 1.195 435 A CA 0.793 52.856 52.037 0.043 0.000 0.858 435 A CB -0.526 18.495 19.000 0.035 0.000 1.117 435 A HN 2.333 nan 8.150 nan 0.000 0.521 436 V N 2.670 122.630 119.914 0.077 0.000 3.480 436 V HA -0.177 3.942 4.120 -0.001 0.000 0.494 436 V C 0.413 176.559 176.094 0.086 0.000 0.682 436 V CA 0.838 63.204 62.300 0.110 0.000 2.039 436 V CB -0.887 31.038 31.823 0.169 0.000 2.474 436 V HN 1.053 nan 8.190 nan 0.000 0.505 437 K N 6.922 127.376 120.400 0.091 0.000 2.412 437 K HA 0.401 4.720 4.320 -0.001 0.000 0.281 437 K C 0.148 176.780 176.600 0.053 0.000 1.027 437 K CA -0.246 56.089 56.287 0.080 0.000 0.989 437 K CB 0.676 33.240 32.500 0.107 0.000 0.935 437 K HN 0.519 nan 8.250 nan 0.000 0.475 438 R N 2.477 123.004 120.500 0.044 0.000 2.778 438 R HA 0.467 4.806 4.340 -0.001 0.000 0.277 438 R C -0.149 176.176 176.300 0.041 0.000 0.977 438 R CA -0.942 55.172 56.100 0.024 0.000 0.950 438 R CB 1.350 31.647 30.300 -0.004 0.000 1.165 438 R HN 0.491 nan 8.270 nan 0.000 0.474 439 I N 1.954 122.550 120.570 0.043 0.000 2.321 439 I HA 0.095 4.265 4.170 -0.001 0.000 0.291 439 I C 0.070 176.201 176.117 0.024 0.000 0.998 439 I CA -0.659 60.669 61.300 0.048 0.000 1.227 439 I CB 1.308 39.328 38.000 0.033 0.000 1.368 439 I HN 0.357 nan 8.210 nan 0.000 0.466 440 N N 7.682 126.375 118.700 -0.012 0.000 2.402 440 N HA 0.096 4.836 4.740 -0.001 0.000 0.252 440 N C 0.670 176.136 175.510 -0.073 0.000 1.118 440 N CA -0.229 52.753 53.050 -0.113 0.000 0.945 440 N CB 0.930 39.225 38.487 -0.320 0.000 1.147 440 N HN 0.522 nan 8.380 nan 0.000 0.495 441 M N 2.188 121.758 119.600 -0.049 0.000 2.394 441 M HA -0.021 4.458 4.480 -0.001 0.000 0.264 441 M C 1.778 178.001 176.300 -0.128 0.000 1.073 441 M CA 0.491 55.777 55.300 -0.023 0.000 1.111 441 M CB -1.316 31.325 32.600 0.068 0.000 1.401 441 M HN 0.574 nan 8.290 nan 0.000 0.448 442 A N -0.496 122.242 122.820 -0.137 0.000 1.929 442 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 442 A C 1.930 179.366 177.584 -0.247 0.000 1.176 442 A CA 1.142 53.058 52.037 -0.201 0.000 0.628 442 A CB -1.010 18.045 19.000 0.092 0.000 0.816 442 A HN 0.567 nan 8.150 nan 0.000 0.444 443 H N -0.983 117.957 119.070 -0.218 0.000 2.389 443 H HA -0.022 4.534 4.556 -0.001 0.000 0.299 443 H C 2.083 177.262 175.328 -0.248 0.000 1.081 443 H CA 0.855 56.756 56.048 -0.245 0.000 1.345 443 H CB -0.014 29.788 29.762 0.068 0.000 1.393 443 H HN 0.333 nan 8.280 nan 0.000 0.520 444 L N 0.463 121.656 121.223 -0.049 0.000 2.017 444 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 444 L C 2.267 179.039 176.870 -0.165 0.000 1.073 444 L CA 1.380 56.178 54.840 -0.070 0.000 0.745 444 L CB -0.499 41.545 42.059 -0.026 0.000 0.894 444 L HN 0.462 nan 8.230 nan 0.000 0.432 445 C N 0.072 119.172 119.300 -0.332 0.000 2.432 445 C HA -0.192 4.267 4.460 -0.001 0.000 0.277 445 C C 2.703 177.436 174.990 -0.430 0.000 1.249 445 C CA 0.685 59.399 59.018 -0.507 0.000 1.725 445 C CB -0.774 26.265 27.740 -1.168 0.000 2.028 445 C HN 0.503 nan 8.230 nan 0.000 0.477 446 I N 1.400 121.674 120.570 -0.494 0.000 2.179 446 I HA -0.214 3.955 4.170 -0.001 0.000 0.242 446 I C 2.726 178.704 176.117 -0.231 0.000 1.088 446 I CA 1.744 62.799 61.300 -0.409 0.000 1.357 446 I CB -0.516 37.085 38.000 -0.665 0.000 1.051 446 I HN 0.283 nan 8.210 nan 0.000 0.409 447 A N 0.438 123.098 122.820 -0.266 0.000 1.969 447 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 447 A C 2.263 179.866 177.584 0.031 0.000 1.169 447 A CA 1.725 53.633 52.037 -0.215 0.000 0.635 447 A CB -1.127 17.480 19.000 -0.656 0.000 0.810 447 A HN 0.483 nan 8.150 nan 0.000 0.445 448 G N -0.730 108.047 108.800 -0.040 0.000 3.042 448 G HA2 0.342 4.301 3.960 -0.001 0.000 0.212 448 G HA3 0.342 4.301 3.960 -0.001 0.000 0.212 448 G C 0.364 175.115 174.900 -0.248 0.000 1.166 448 G CA 0.756 45.750 45.100 -0.177 0.000 0.767 448 G HN 0.635 nan 8.290 nan 0.000 0.546 449 S N -0.650 114.954 115.700 -0.161 0.000 2.548 449 S HA 0.362 4.832 4.470 -0.001 0.000 0.286 449 S C 0.753 175.302 174.600 -0.085 0.000 1.098 449 S CA -0.689 57.443 58.200 -0.114 0.000 0.930 449 S CB 1.414 64.560 63.200 -0.091 0.000 1.070 449 S HN 0.421 nan 8.310 nan 0.000 0.480 450 H N 0.516 119.549 119.070 -0.062 0.000 2.495 450 H HA 0.319 4.874 4.556 -0.001 0.000 0.287 450 H C 0.305 175.623 175.328 -0.018 0.000 1.033 450 H CA 0.680 56.711 56.048 -0.029 0.000 1.307 450 H CB -0.082 29.669 29.762 -0.019 0.000 1.401 450 H HN 0.762 nan 8.280 nan 0.000 0.555 451 A N 1.129 123.608 122.820 -0.569 0.000 2.414 451 A HA 0.587 4.907 4.320 -0.001 0.000 0.306 451 A C -1.239 176.162 177.584 -0.305 0.000 1.054 451 A CA -0.598 51.201 52.037 -0.397 0.000 0.724 451 A CB 2.468 21.214 19.000 -0.425 0.000 1.267 451 A HN 0.113 nan 8.150 nan 0.000 0.418 452 V N 3.968 123.671 119.914 -0.352 0.000 2.577 452 V HA 0.508 4.628 4.120 -0.001 0.000 0.303 452 V C -0.884 175.026 176.094 -0.307 0.000 1.042 452 V CA -0.789 61.290 62.300 -0.369 0.000 0.872 452 V CB 1.857 33.310 31.823 -0.618 0.000 0.998 452 V HN 1.036 nan 8.190 nan 0.000 0.423 453 N N 3.150 121.687 118.700 -0.270 0.000 2.229 453 N HA 0.635 5.374 4.740 -0.001 0.000 0.298 453 N C -0.295 175.110 175.510 -0.175 0.000 1.114 453 N CA -0.378 52.558 53.050 -0.190 0.000 0.776 453 N CB 2.882 41.245 38.487 -0.207 0.000 1.501 453 N HN 0.639 nan 8.380 nan 0.000 0.474 454 G N -0.710 108.017 108.800 -0.121 0.000 2.531 454 G HA2 0.447 4.406 3.960 -0.001 0.000 0.313 454 G HA3 0.447 4.406 3.960 -0.001 0.000 0.313 454 G C -0.255 174.704 174.900 0.098 0.000 1.238 454 G CA -0.565 44.495 45.100 -0.067 0.000 0.994 454 G HN 0.389 nan 8.290 nan 0.000 0.493 455 V N -0.462 119.673 119.914 0.369 0.000 3.432 455 V HA 0.611 4.730 4.120 -0.001 0.000 0.298 455 V C 0.704 176.914 176.094 0.193 0.000 1.464 455 V CA 0.980 63.406 62.300 0.210 0.000 1.046 455 V CB -0.241 31.642 31.823 0.099 0.000 0.887 455 V HN 1.138 nan 8.190 nan 0.000 0.441 456 A N -0.624 122.322 122.820 0.209 0.000 2.564 456 A HA 0.582 4.902 4.320 -0.001 0.000 0.291 456 A C 0.542 178.187 177.584 0.103 0.000 1.102 456 A CA -0.140 51.982 52.037 0.143 0.000 0.660 456 A CB 0.825 19.903 19.000 0.131 0.000 1.283 456 A HN -0.025 nan 8.150 nan 0.000 0.430 457 R N -0.368 120.170 120.500 0.064 0.000 2.073 457 R HA -0.066 4.273 4.340 -0.001 0.000 0.229 457 R C 1.278 177.584 176.300 0.010 0.000 1.120 457 R CA 1.728 57.841 56.100 0.022 0.000 0.967 457 R CB -0.260 30.046 30.300 0.011 0.000 0.862 457 R HN 0.724 nan 8.270 nan 0.000 0.436 458 I N 0.672 121.259 120.570 0.028 0.000 2.252 458 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 458 I C 2.516 178.654 176.117 0.035 0.000 1.102 458 I CA 1.509 62.819 61.300 0.017 0.000 1.385 458 I CB -1.809 36.202 38.000 0.018 0.000 1.064 458 I HN 0.401 nan 8.210 nan 0.000 0.414 459 H N 1.013 120.074 119.070 -0.015 0.000 2.353 459 H HA -0.097 4.459 4.556 -0.001 0.000 0.300 459 H C 2.088 177.412 175.328 -0.007 0.000 1.090 459 H CA 1.722 57.762 56.048 -0.013 0.000 1.327 459 H CB 0.455 30.218 29.762 0.000 0.000 1.383 459 H HN 0.178 nan 8.280 nan 0.000 0.508 460 S N 0.307 115.869 115.700 -0.229 0.000 2.447 460 S HA -0.068 4.401 4.470 -0.001 0.000 0.233 460 S C 1.826 176.328 174.600 -0.162 0.000 1.006 460 S CA 0.605 58.666 58.200 -0.231 0.000 0.957 460 S CB 0.071 63.209 63.200 -0.103 0.000 0.773 460 S HN 0.456 nan 8.310 nan 0.000 0.507 461 E N 1.444 121.564 120.200 -0.134 0.000 2.086 461 E HA 0.005 4.354 4.350 -0.001 0.000 0.190 461 E C 2.122 178.627 176.600 -0.158 0.000 0.975 461 E CA 0.669 56.984 56.400 -0.142 0.000 0.813 461 E CB -0.312 29.330 29.700 -0.098 0.000 0.768 461 E HN 0.702 nan 8.360 nan 0.000 0.457 462 I N -1.332 119.164 120.570 -0.123 0.000 2.493 462 I HA -0.164 4.005 4.170 -0.001 0.000 0.254 462 I C 2.157 178.189 176.117 -0.142 0.000 1.160 462 I CA 0.849 62.082 61.300 -0.113 0.000 1.445 462 I CB -0.317 37.645 38.000 -0.063 0.000 1.086 462 I HN -0.040 nan 8.210 nan 0.000 0.433 463 L N 1.801 122.929 121.223 -0.157 0.000 2.017 463 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 463 L C 2.848 179.676 176.870 -0.070 0.000 1.073 463 L CA 1.986 56.786 54.840 -0.067 0.000 0.745 463 L CB -0.637 41.445 42.059 0.039 0.000 0.894 463 L HN 0.407 nan 8.230 nan 0.000 0.432 464 K N -0.169 120.079 120.400 -0.252 0.000 2.228 464 K HA -0.098 4.221 4.320 -0.001 0.000 0.202 464 K C 1.906 178.277 176.600 -0.381 0.000 1.051 464 K CA 0.707 56.679 56.287 -0.526 0.000 0.960 464 K CB -0.064 31.802 32.500 -1.057 0.000 0.743 464 K HN 0.254 nan 8.250 nan 0.000 0.458 465 K N 0.809 121.054 120.400 -0.259 0.000 1.991 465 K HA -0.085 4.235 4.320 -0.001 0.000 0.207 465 K C 2.451 178.988 176.600 -0.105 0.000 1.045 465 K CA 2.136 58.323 56.287 -0.166 0.000 0.937 465 K CB -0.021 32.400 32.500 -0.132 0.000 0.720 465 K HN 0.388 nan 8.250 nan 0.000 0.438 466 T N -1.115 113.377 114.554 -0.104 0.000 3.499 466 T HA 0.053 4.402 4.350 -0.001 0.000 0.227 466 T C 1.952 176.594 174.700 -0.097 0.000 0.946 466 T CA 0.013 62.063 62.100 -0.083 0.000 1.368 466 T CB -0.637 68.183 68.868 -0.081 0.000 1.227 466 T HN -0.033 nan 8.240 nan 0.000 0.398 467 I N 1.056 121.503 120.570 -0.204 0.000 2.185 467 I HA -0.078 4.091 4.170 -0.001 0.000 0.246 467 I C 1.094 177.015 176.117 -0.325 0.000 1.088 467 I CA 1.695 62.751 61.300 -0.407 0.000 1.347 467 I CB -0.445 37.084 38.000 -0.785 0.000 1.041 467 I HN 0.281 nan 8.210 nan 0.000 0.415 468 F N 0.468 120.497 119.950 0.131 0.000 2.835 468 F HA 0.223 4.749 4.527 -0.001 0.000 0.342 468 F C 1.643 177.561 175.800 0.197 0.000 1.202 468 F CA -1.006 57.150 58.000 0.260 0.000 1.240 468 F CB -0.481 38.688 39.000 0.283 0.000 1.005 468 F HN -0.018 nan 8.300 nan 0.000 0.507 469 K N -0.638 119.892 120.400 0.216 0.000 2.147 469 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 469 K C 0.823 177.498 176.600 0.124 0.000 1.049 469 K CA 1.954 58.306 56.287 0.108 0.000 0.936 469 K CB -0.113 32.405 32.500 0.031 0.000 0.722 469 K HN 0.028 nan 8.250 nan 0.000 0.446 470 D N 0.460 120.917 120.400 0.096 0.000 2.178 470 D HA -0.091 4.549 4.640 -0.001 0.000 0.202 470 D C 1.709 177.929 176.300 -0.132 0.000 0.974 470 D CA 1.032 54.953 54.000 -0.131 0.000 0.841 470 D CB -0.182 40.449 40.800 -0.283 0.000 0.953 470 D HN 0.272 nan 8.370 nan 0.000 0.478 471 F N -0.200 119.844 119.950 0.157 0.000 2.187 471 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 471 F C 2.339 178.293 175.800 0.257 0.000 1.091 471 F CA 0.376 58.548 58.000 0.286 0.000 1.308 471 F CB -0.739 38.522 39.000 0.434 0.000 1.030 471 F HN -0.074 nan 8.300 nan 0.000 0.487 472 Y N 1.617 121.921 120.300 0.006 0.000 2.114 472 Y HA -0.275 4.274 4.550 -0.001 0.000 0.282 472 Y C 2.140 178.012 175.900 -0.047 0.000 1.165 472 Y CA 1.938 59.851 58.100 -0.312 0.000 1.148 472 Y CB -0.634 37.471 38.460 -0.592 0.000 0.972 472 Y HN 0.146 nan 8.280 nan 0.000 0.504 473 E N -0.165 120.003 120.200 -0.053 0.000 2.204 473 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 473 E C 2.207 178.854 176.600 0.078 0.000 0.990 473 E CA 0.886 57.260 56.400 -0.044 0.000 0.821 473 E CB -0.174 29.563 29.700 0.063 0.000 0.750 473 E HN 0.471 nan 8.360 nan 0.000 0.477 474 L N 0.700 121.999 121.223 0.127 0.000 2.068 474 L HA -0.029 4.311 4.340 -0.001 0.000 0.204 474 L C 0.085 177.002 176.870 0.078 0.000 1.076 474 L CA 1.512 56.466 54.840 0.190 0.000 0.753 474 L CB 0.201 42.382 42.059 0.203 0.000 0.910 474 L HN -0.003 nan 8.230 nan 0.000 0.439 475 E N -0.609 119.634 120.200 0.071 0.000 2.914 475 E HA 0.183 4.532 4.350 -0.001 0.000 0.246 475 E C -2.006 174.457 176.600 -0.228 0.000 1.146 475 E CA -1.427 54.916 56.400 -0.094 0.000 0.803 475 E CB 1.410 31.246 29.700 0.226 0.000 1.409 475 E HN 0.153 nan 8.360 nan 0.000 0.392 476 P HA -0.225 nan 4.420 nan 0.000 0.216 476 P C 1.084 178.349 177.300 -0.057 0.000 1.153 476 P CA 1.206 63.995 63.100 -0.518 0.000 0.848 476 P CB 0.020 31.317 31.700 -0.673 0.000 0.787 477 H N 0.061 119.209 119.070 0.131 0.000 2.394 477 H HA -0.123 4.432 4.556 -0.001 0.000 0.297 477 H C 1.677 177.103 175.328 0.163 0.000 1.113 477 H CA 1.092 57.223 56.048 0.139 0.000 1.277 477 H CB -0.943 28.873 29.762 0.091 0.000 1.370 477 H HN 0.164 nan 8.280 nan 0.000 0.506 478 K N 0.583 121.166 120.400 0.305 0.000 2.160 478 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 478 K C -0.083 176.490 176.600 -0.044 0.000 1.047 478 K CA 0.687 57.036 56.287 0.104 0.000 0.930 478 K CB -0.072 32.403 32.500 -0.042 0.000 0.720 478 K HN 0.088 nan 8.250 nan 0.000 0.450 479 F N 1.325 121.345 119.950 0.117 0.000 2.411 479 F HA 0.225 4.751 4.527 -0.001 0.000 0.355 479 F C 0.402 176.225 175.800 0.037 0.000 1.117 479 F CA -0.291 57.761 58.000 0.086 0.000 1.139 479 F CB 1.157 40.258 39.000 0.169 0.000 1.120 479 F HN -0.107 nan 8.300 nan 0.000 0.493 480 Q N 1.559 121.408 119.800 0.082 0.000 2.496 480 Q HA 0.361 4.700 4.340 -0.001 0.000 0.286 480 Q C -0.997 174.975 176.000 -0.047 0.000 1.103 480 Q CA -1.212 54.588 55.803 -0.004 0.000 0.813 480 Q CB 3.042 31.723 28.738 -0.096 0.000 1.444 480 Q HN 0.642 nan 8.270 nan 0.000 0.443 481 N N 0.612 119.266 118.700 -0.077 0.000 2.417 481 N HA 0.273 5.013 4.740 -0.001 0.000 0.300 481 N C -1.351 174.056 175.510 -0.172 0.000 1.102 481 N CA -0.392 52.602 53.050 -0.094 0.000 0.886 481 N CB 0.825 39.279 38.487 -0.056 0.000 1.203 481 N HN 0.230 nan 8.380 nan 0.000 0.496 482 K N 2.511 122.808 120.400 -0.170 0.000 2.705 482 K HA 0.181 4.501 4.320 -0.001 0.000 0.238 482 K C -1.083 175.514 176.600 -0.005 0.000 0.996 482 K CA -0.503 55.653 56.287 -0.219 0.000 1.007 482 K CB 1.327 33.446 32.500 -0.634 0.000 1.206 482 K HN 0.542 nan 8.250 nan 0.000 0.488 483 T N 2.678 117.253 114.554 0.035 0.000 2.902 483 T HA 0.097 4.446 4.350 -0.001 0.000 0.301 483 T C 0.771 175.598 174.700 0.211 0.000 1.012 483 T CA 0.031 62.206 62.100 0.125 0.000 1.151 483 T CB 0.243 69.178 68.868 0.111 0.000 0.946 483 T HN 0.250 nan 8.240 nan 0.000 0.542 484 N N 1.132 119.989 118.700 0.263 0.000 2.260 484 N HA 0.500 5.239 4.740 -0.001 0.000 0.230 484 N C 0.585 176.293 175.510 0.329 0.000 1.323 484 N CA 0.118 53.366 53.050 0.330 0.000 0.897 484 N CB 0.508 39.142 38.487 0.246 0.000 1.146 484 N HN 0.871 nan 8.380 nan 0.000 0.460 485 G N -1.128 107.878 108.800 0.344 0.000 2.619 485 G HA2 0.636 4.596 3.960 -0.001 0.000 0.305 485 G HA3 0.636 4.596 3.960 -0.001 0.000 0.305 485 G C -1.657 173.401 174.900 0.263 0.000 1.330 485 G CA -0.294 44.994 45.100 0.313 0.000 0.789 485 G HN 0.398 nan 8.290 nan 0.000 0.487 486 I N -0.276 120.441 120.570 0.245 0.000 2.656 486 I HA 0.508 4.677 4.170 -0.001 0.000 0.292 486 I C 0.117 176.405 176.117 0.285 0.000 1.144 486 I CA -0.375 61.063 61.300 0.231 0.000 1.038 486 I CB 2.596 40.650 38.000 0.090 0.000 1.244 486 I HN 0.504 nan 8.210 nan 0.000 0.420 487 T N 7.705 122.470 114.554 0.351 0.000 2.779 487 T HA 0.301 4.650 4.350 -0.001 0.000 0.296 487 T C -1.732 173.079 174.700 0.186 0.000 0.938 487 T CA -1.360 60.872 62.100 0.220 0.000 1.119 487 T CB 0.743 69.691 68.868 0.134 0.000 0.891 487 T HN 0.385 nan 8.240 nan 0.000 0.526 488 P HA 0.049 nan 4.420 nan 0.000 0.239 488 P C 0.976 178.249 177.300 -0.046 0.000 1.184 488 P CA 0.260 63.402 63.100 0.070 0.000 0.760 488 P CB 0.337 32.066 31.700 0.048 0.000 0.884 489 R N 0.453 120.890 120.500 -0.105 0.000 2.054 489 R HA 0.054 4.394 4.340 -0.001 0.000 0.223 489 R C 2.625 178.808 176.300 -0.195 0.000 1.176 489 R CA 1.416 57.406 56.100 -0.184 0.000 0.934 489 R CB -1.199 29.000 30.300 -0.167 0.000 0.828 489 R HN -0.003 nan 8.270 nan 0.000 0.441 490 R N -0.958 119.362 120.500 -0.300 0.000 2.120 490 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 490 R C 1.067 176.990 176.300 -0.627 0.000 1.123 490 R CA 1.620 57.370 56.100 -0.583 0.000 0.975 490 R CB -0.090 29.664 30.300 -0.910 0.000 0.866 490 R HN 0.316 nan 8.270 nan 0.000 0.446 491 W N -0.887 120.375 121.300 -0.063 0.000 3.220 491 W HA 0.256 4.915 4.660 -0.001 0.000 0.328 491 W C 1.335 177.823 176.519 -0.050 0.000 1.205 491 W CA -0.615 56.689 57.345 -0.068 0.000 1.773 491 W CB 0.549 29.976 29.460 -0.055 0.000 1.086 491 W HN 0.115 nan 8.180 nan 0.000 0.622 492 L N -1.952 119.339 121.223 0.113 0.000 2.769 492 L HA 0.052 4.391 4.340 -0.001 0.000 0.175 492 L C 1.808 178.696 176.870 0.030 0.000 1.099 492 L CA 0.306 55.200 54.840 0.089 0.000 0.876 492 L CB -0.585 41.554 42.059 0.134 0.000 1.498 492 L HN -0.333 nan 8.230 nan 0.000 0.499 493 V N 1.075 120.982 119.914 -0.012 0.000 2.427 493 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 493 V C 2.217 178.282 176.094 -0.047 0.000 1.051 493 V CA 1.939 64.220 62.300 -0.031 0.000 1.048 493 V CB -0.121 31.638 31.823 -0.106 0.000 0.666 493 V HN 0.360 nan 8.190 nan 0.000 0.456 494 L N 0.398 121.565 121.223 -0.094 0.000 2.022 494 L HA -0.142 4.198 4.340 -0.001 0.000 0.204 494 L C 2.547 179.354 176.870 -0.105 0.000 1.076 494 L CA 2.097 56.867 54.840 -0.116 0.000 0.749 494 L CB -0.291 41.651 42.059 -0.196 0.000 0.903 494 L HN 0.602 nan 8.230 nan 0.000 0.439 495 C N -1.006 118.218 119.300 -0.126 0.000 2.522 495 C HA 0.120 4.579 4.460 -0.001 0.000 0.271 495 C C 1.097 176.062 174.990 -0.042 0.000 1.425 495 C CA -0.169 58.793 59.018 -0.094 0.000 1.751 495 C CB -1.360 26.326 27.740 -0.090 0.000 1.775 495 C HN 0.606 nan 8.230 nan 0.000 0.557 496 N N 0.780 119.467 118.700 -0.021 0.000 2.673 496 N HA 0.256 4.996 4.740 -0.001 0.000 0.265 496 N C -1.752 173.765 175.510 0.011 0.000 1.709 496 N CA -1.409 51.640 53.050 -0.001 0.000 0.792 496 N CB 0.724 39.219 38.487 0.013 0.000 1.286 496 N HN 0.206 nan 8.380 nan 0.000 0.506 497 P HA -0.060 nan 4.420 nan 0.000 0.216 497 P C 1.401 178.715 177.300 0.023 0.000 1.150 497 P CA 1.000 64.109 63.100 0.015 0.000 0.837 497 P CB 0.224 31.927 31.700 0.005 0.000 0.786 498 G N 0.592 109.400 108.800 0.014 0.000 2.446 498 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 498 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 498 G C 1.521 176.431 174.900 0.015 0.000 1.168 498 G CA 0.651 45.757 45.100 0.011 0.000 0.771 498 G HN 0.238 nan 8.290 nan 0.000 0.551 499 L N 1.305 122.538 121.223 0.016 0.000 2.109 499 L HA 0.279 4.619 4.340 -0.001 0.000 0.207 499 L C 3.056 179.954 176.870 0.048 0.000 1.086 499 L CA 1.857 56.708 54.840 0.018 0.000 0.760 499 L CB -0.784 41.282 42.059 0.012 0.000 0.910 499 L HN 0.239 nan 8.230 nan 0.000 0.437 500 A N -0.886 121.984 122.820 0.083 0.000 1.940 500 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 500 A C 2.309 179.986 177.584 0.155 0.000 1.176 500 A CA 1.937 54.076 52.037 0.170 0.000 0.631 500 A CB -0.629 18.462 19.000 0.152 0.000 0.814 500 A HN 0.600 nan 8.150 nan 0.000 0.446 501 E N 0.019 120.272 120.200 0.088 0.000 2.015 501 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 501 E C 2.014 178.650 176.600 0.061 0.000 0.991 501 E CA 1.418 57.860 56.400 0.070 0.000 0.802 501 E CB -0.302 29.423 29.700 0.042 0.000 0.759 501 E HN 0.759 nan 8.360 nan 0.000 0.447 502 I N -1.065 119.538 120.570 0.055 0.000 2.454 502 I HA -0.197 3.972 4.170 -0.001 0.000 0.254 502 I C 2.035 178.209 176.117 0.095 0.000 1.156 502 I CA 1.149 62.497 61.300 0.079 0.000 1.433 502 I CB -0.331 37.716 38.000 0.078 0.000 1.082 502 I HN 0.107 nan 8.210 nan 0.000 0.432 503 I N 1.890 122.485 120.570 0.041 0.000 2.333 503 I HA -0.126 4.043 4.170 -0.001 0.000 0.246 503 I C 2.967 179.017 176.117 -0.111 0.000 1.106 503 I CA 1.130 62.369 61.300 -0.102 0.000 1.411 503 I CB -0.418 37.393 38.000 -0.314 0.000 1.082 503 I HN 0.276 nan 8.210 nan 0.000 0.420 504 A N 0.497 123.346 122.820 0.048 0.000 2.070 504 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 504 A C 2.102 179.709 177.584 0.037 0.000 1.159 504 A CA 1.413 53.530 52.037 0.133 0.000 0.656 504 A CB -0.506 18.604 19.000 0.184 0.000 0.800 504 A HN 0.468 nan 8.150 nan 0.000 0.453 505 E N -0.681 119.516 120.200 -0.006 0.000 2.216 505 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 505 E C 2.011 178.559 176.600 -0.088 0.000 0.988 505 E CA 0.579 56.962 56.400 -0.028 0.000 0.834 505 E CB -0.006 29.685 29.700 -0.015 0.000 0.772 505 E HN 0.474 nan 8.360 nan 0.000 0.479 506 R N 0.509 120.892 120.500 -0.196 0.000 2.105 506 R HA 0.093 4.433 4.340 -0.001 0.000 0.214 506 R C 2.285 178.494 176.300 -0.152 0.000 1.091 506 R CA 0.807 56.719 56.100 -0.314 0.000 1.007 506 R CB -0.270 29.500 30.300 -0.883 0.000 0.912 506 R HN 0.294 nan 8.270 nan 0.000 0.450 507 I N -3.147 117.350 120.570 -0.122 0.000 4.154 507 I HA 0.450 4.620 4.170 -0.001 0.000 0.334 507 I C 0.509 176.657 176.117 0.052 0.000 1.371 507 I CA 0.096 61.381 61.300 -0.026 0.000 1.110 507 I CB 0.861 38.835 38.000 -0.044 0.000 1.085 507 I HN 0.181 nan 8.210 nan 0.000 0.398 508 G N 3.223 112.063 108.800 0.067 0.000 2.681 508 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 508 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 508 G C -0.075 174.951 174.900 0.211 0.000 1.353 508 G CA 0.165 45.328 45.100 0.105 0.000 0.872 508 G HN 0.722 nan 8.290 nan 0.000 0.557 509 E N -0.656 119.619 120.200 0.125 0.000 2.736 509 E HA 0.368 4.718 4.350 -0.001 0.000 0.208 509 E C 0.965 177.514 176.600 -0.086 0.000 0.996 509 E CA 0.073 56.477 56.400 0.008 0.000 1.104 509 E CB 0.751 30.415 29.700 -0.060 0.000 1.111 509 E HN 0.620 nan 8.360 nan 0.000 0.455 510 E N 0.464 120.684 120.200 0.035 0.000 2.208 510 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 510 E C 1.276 177.874 176.600 -0.004 0.000 0.988 510 E CA 1.065 57.478 56.400 0.021 0.000 0.828 510 E CB -0.160 29.576 29.700 0.060 0.000 0.763 510 E HN 0.611 nan 8.360 nan 0.000 0.478 511 Y N -0.531 119.771 120.300 0.003 0.000 2.403 511 Y HA -0.087 4.463 4.550 -0.001 0.000 0.291 511 Y C 1.771 177.652 175.900 -0.031 0.000 1.143 511 Y CA 0.616 58.712 58.100 -0.007 0.000 1.257 511 Y CB -0.557 37.902 38.460 -0.003 0.000 0.984 511 Y HN -0.063 nan 8.280 nan 0.000 0.550 512 I N 0.931 121.060 120.570 -0.735 0.000 2.361 512 I HA -0.220 3.949 4.170 -0.001 0.000 0.251 512 I C 1.873 177.777 176.117 -0.355 0.000 1.133 512 I CA 1.781 62.690 61.300 -0.653 0.000 1.413 512 I CB -0.417 37.088 38.000 -0.824 0.000 1.073 512 I HN 0.482 nan 8.210 nan 0.000 0.424 513 S N -1.810 113.774 115.700 -0.194 0.000 2.650 513 S HA 0.151 4.620 4.470 -0.001 0.000 0.240 513 S C 0.104 174.697 174.600 -0.011 0.000 1.007 513 S CA -0.472 57.687 58.200 -0.068 0.000 0.984 513 S CB 0.198 63.414 63.200 0.026 0.000 0.910 513 S HN 0.333 nan 8.310 nan 0.000 0.509 514 D N 0.522 120.922 120.400 0.001 0.000 2.752 514 D HA 0.245 4.884 4.640 -0.001 0.000 0.242 514 D C 0.348 176.692 176.300 0.074 0.000 1.295 514 D CA -0.441 53.580 54.000 0.035 0.000 0.846 514 D CB 0.466 41.287 40.800 0.035 0.000 1.454 514 D HN 0.069 nan 8.370 nan 0.000 0.535 515 L N 1.753 123.023 121.223 0.078 0.000 2.191 515 L HA -0.022 4.318 4.340 -0.001 0.000 0.212 515 L C 1.508 178.434 176.870 0.093 0.000 1.103 515 L CA 1.610 56.523 54.840 0.121 0.000 0.769 515 L CB -0.110 42.016 42.059 0.112 0.000 0.908 515 L HN 0.374 nan 8.230 nan 0.000 0.438 516 D N -0.728 119.702 120.400 0.051 0.000 2.271 516 D HA -0.233 4.407 4.640 -0.001 0.000 0.207 516 D C 1.884 178.206 176.300 0.038 0.000 0.983 516 D CA 0.893 54.910 54.000 0.027 0.000 0.878 516 D CB 0.054 40.857 40.800 0.005 0.000 0.920 516 D HN 0.576 nan 8.370 nan 0.000 0.479 517 Q N -0.113 119.725 119.800 0.063 0.000 2.437 517 Q HA -0.009 4.331 4.340 -0.001 0.000 0.210 517 Q C 2.258 178.284 176.000 0.043 0.000 0.972 517 Q CA 0.090 55.931 55.803 0.064 0.000 0.903 517 Q CB 0.099 28.897 28.738 0.099 0.000 0.967 517 Q HN 0.377 nan 8.270 nan 0.000 0.486 518 L N 0.070 121.315 121.223 0.036 0.000 2.261 518 L HA -0.192 4.147 4.340 -0.001 0.000 0.216 518 L C 2.208 179.082 176.870 0.007 0.000 1.114 518 L CA 0.923 55.755 54.840 -0.014 0.000 0.777 518 L CB -0.288 41.773 42.059 0.003 0.000 0.910 518 L HN 0.207 nan 8.230 nan 0.000 0.440 519 R N 0.217 120.729 120.500 0.021 0.000 2.152 519 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 519 R C 2.091 178.405 176.300 0.023 0.000 1.117 519 R CA 0.956 57.070 56.100 0.022 0.000 0.981 519 R CB -0.133 30.176 30.300 0.015 0.000 0.870 519 R HN 0.380 nan 8.270 nan 0.000 0.451 520 K N 0.215 120.627 120.400 0.022 0.000 2.281 520 K HA -0.147 4.173 4.320 -0.001 0.000 0.203 520 K C 1.573 178.224 176.600 0.085 0.000 1.046 520 K CA 0.807 57.116 56.287 0.036 0.000 0.938 520 K CB -0.057 32.466 32.500 0.039 0.000 0.737 520 K HN 0.042 nan 8.250 nan 0.000 0.458 521 L N 0.594 121.850 121.223 0.055 0.000 2.362 521 L HA -0.111 4.229 4.340 -0.001 0.000 0.219 521 L C 1.768 178.725 176.870 0.145 0.000 1.134 521 L CA 1.042 55.931 54.840 0.083 0.000 0.807 521 L CB -0.441 41.631 42.059 0.021 0.000 0.927 521 L HN 0.113 nan 8.230 nan 0.000 0.447 522 L N -1.108 120.163 121.223 0.080 0.000 2.187 522 L HA -0.151 4.188 4.340 -0.001 0.000 0.213 522 L C 2.402 179.271 176.870 -0.001 0.000 1.100 522 L CA 1.256 56.126 54.840 0.050 0.000 0.765 522 L CB -1.278 40.795 42.059 0.023 0.000 0.904 522 L HN 0.197 nan 8.230 nan 0.000 0.437 523 S N -1.860 113.797 115.700 -0.072 0.000 2.547 523 S HA -0.084 4.385 4.470 -0.001 0.000 0.235 523 S C 0.964 175.290 174.600 -0.456 0.000 0.980 523 S CA 0.533 58.561 58.200 -0.286 0.000 0.941 523 S CB -0.218 62.711 63.200 -0.453 0.000 0.763 523 S HN 0.487 nan 8.310 nan 0.000 0.532 524 Y N -0.539 119.720 120.300 -0.068 0.000 2.612 524 Y HA 0.205 4.755 4.550 -0.001 0.000 0.250 524 Y C 1.650 177.628 175.900 0.130 0.000 1.175 524 Y CA -0.484 57.591 58.100 -0.042 0.000 1.205 524 Y CB 0.028 38.283 38.460 -0.340 0.000 1.201 524 Y HN 0.122 nan 8.280 nan 0.000 0.532 525 V N -2.647 117.376 119.914 0.183 0.000 2.720 525 V HA -0.176 3.944 4.120 -0.001 0.000 0.256 525 V C 0.773 176.939 176.094 0.121 0.000 1.082 525 V CA 1.928 64.320 62.300 0.154 0.000 1.101 525 V CB -0.056 31.815 31.823 0.080 0.000 0.693 525 V HN 0.250 nan 8.190 nan 0.000 0.479 526 D N -0.495 119.960 120.400 0.092 0.000 2.479 526 D HA 0.168 4.807 4.640 -0.001 0.000 0.218 526 D C 0.126 176.474 176.300 0.079 0.000 1.177 526 D CA 0.041 54.079 54.000 0.064 0.000 0.830 526 D CB 0.285 41.099 40.800 0.022 0.000 1.014 526 D HN 0.486 nan 8.370 nan 0.000 0.503 527 D N 1.507 121.994 120.400 0.146 0.000 2.295 527 D HA 0.009 4.648 4.640 -0.001 0.000 0.248 527 D C 1.218 177.625 176.300 0.179 0.000 1.154 527 D CA -0.040 54.066 54.000 0.176 0.000 0.857 527 D CB 1.468 42.450 40.800 0.302 0.000 1.117 527 D HN -0.190 nan 8.370 nan 0.000 0.468 528 E N 2.969 123.239 120.200 0.116 0.000 2.051 528 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 528 E C 1.690 178.344 176.600 0.091 0.000 0.991 528 E CA 1.038 57.489 56.400 0.084 0.000 0.799 528 E CB -0.165 29.568 29.700 0.055 0.000 0.748 528 E HN 0.664 nan 8.360 nan 0.000 0.449 529 A N 0.768 123.656 122.820 0.113 0.000 1.877 529 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 529 A C 2.103 179.770 177.584 0.138 0.000 1.186 529 A CA 1.364 53.465 52.037 0.106 0.000 0.620 529 A CB -0.839 18.225 19.000 0.107 0.000 0.822 529 A HN 0.276 nan 8.150 nan 0.000 0.443 530 F N 0.556 120.521 119.950 0.026 0.000 2.134 530 F HA -0.118 4.408 4.527 -0.001 0.000 0.299 530 F C 1.965 177.769 175.800 0.007 0.000 1.097 530 F CA 1.300 59.299 58.000 -0.002 0.000 1.264 530 F CB -0.306 38.700 39.000 0.008 0.000 1.001 530 F HN 0.179 nan 8.300 nan 0.000 0.479 531 I N 0.604 121.169 120.570 -0.009 0.000 2.226 531 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 531 I C 2.601 178.644 176.117 -0.124 0.000 1.100 531 I CA 1.839 63.081 61.300 -0.097 0.000 1.374 531 I CB -0.472 37.533 38.000 0.009 0.000 1.057 531 I HN 0.157 nan 8.210 nan 0.000 0.413 532 R N 0.293 120.751 120.500 -0.069 0.000 2.161 532 R HA -0.067 4.273 4.340 -0.001 0.000 0.213 532 R C 1.425 177.672 176.300 -0.088 0.000 1.055 532 R CA 1.119 57.181 56.100 -0.063 0.000 0.996 532 R CB -0.397 29.886 30.300 -0.028 0.000 0.901 532 R HN 0.203 nan 8.270 nan 0.000 0.456 533 D N 1.029 121.362 120.400 -0.111 0.000 2.144 533 D HA -0.089 4.550 4.640 -0.001 0.000 0.200 533 D C 2.026 178.207 176.300 -0.197 0.000 0.978 533 D CA 1.160 55.087 54.000 -0.121 0.000 0.833 533 D CB 0.038 40.798 40.800 -0.066 0.000 0.961 533 D HN 0.101 nan 8.370 nan 0.000 0.470 534 V N 1.479 121.184 119.914 -0.348 0.000 2.307 534 V HA -0.214 3.905 4.120 -0.001 0.000 0.245 534 V C 2.571 178.575 176.094 -0.150 0.000 1.045 534 V CA 1.746 63.857 62.300 -0.315 0.000 1.024 534 V CB -0.808 30.744 31.823 -0.450 0.000 0.651 534 V HN 0.167 nan 8.190 nan 0.000 0.449 535 A N -0.021 122.728 122.820 -0.119 0.000 1.940 535 A HA -0.281 4.039 4.320 -0.001 0.000 0.219 535 A C 2.223 179.768 177.584 -0.064 0.000 1.176 535 A CA 2.380 54.378 52.037 -0.065 0.000 0.631 535 A CB -0.495 18.469 19.000 -0.060 0.000 0.814 535 A HN 0.449 nan 8.150 nan 0.000 0.446 536 K N -0.237 120.121 120.400 -0.070 0.000 2.057 536 K HA -0.017 4.303 4.320 -0.001 0.000 0.206 536 K C 1.701 178.273 176.600 -0.047 0.000 1.050 536 K CA 1.637 57.892 56.287 -0.053 0.000 0.935 536 K CB -0.656 31.817 32.500 -0.046 0.000 0.715 536 K HN 0.198 nan 8.250 nan 0.000 0.439 537 V N 0.938 120.820 119.914 -0.054 0.000 2.358 537 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 537 V C 2.278 178.351 176.094 -0.034 0.000 1.047 537 V CA 1.889 64.165 62.300 -0.040 0.000 1.035 537 V CB -0.489 31.308 31.823 -0.044 0.000 0.658 537 V HN 0.303 nan 8.190 nan 0.000 0.452 538 K N 0.565 120.943 120.400 -0.036 0.000 2.032 538 K HA -0.240 4.080 4.320 -0.001 0.000 0.209 538 K C 2.243 178.806 176.600 -0.062 0.000 1.048 538 K CA 1.892 58.162 56.287 -0.028 0.000 0.927 538 K CB -0.566 31.938 32.500 0.007 0.000 0.712 538 K HN 0.497 nan 8.250 nan 0.000 0.441 539 Q N -0.151 119.608 119.800 -0.069 0.000 2.124 539 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 539 Q C 1.892 177.854 176.000 -0.063 0.000 0.977 539 Q CA 1.943 57.693 55.803 -0.089 0.000 0.850 539 Q CB -0.067 28.628 28.738 -0.072 0.000 0.901 539 Q HN 0.421 nan 8.270 nan 0.000 0.429 540 E N 0.143 120.321 120.200 -0.037 0.000 2.051 540 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 540 E C 1.422 178.025 176.600 0.005 0.000 0.991 540 E CA 1.758 58.151 56.400 -0.013 0.000 0.799 540 E CB 0.060 29.754 29.700 -0.010 0.000 0.748 540 E HN 0.444 nan 8.360 nan 0.000 0.449 541 N N -0.307 118.393 118.700 -0.001 0.000 2.244 541 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 541 N C 1.555 177.107 175.510 0.069 0.000 1.016 541 N CA 0.978 54.044 53.050 0.026 0.000 0.866 541 N CB 0.038 38.528 38.487 0.004 0.000 0.980 541 N HN 0.040 nan 8.380 nan 0.000 0.430 542 K N 0.425 120.815 120.400 -0.018 0.000 2.026 542 K HA -0.091 4.228 4.320 -0.001 0.000 0.208 542 K C 1.662 178.318 176.600 0.093 0.000 1.048 542 K CA 0.818 57.059 56.287 -0.078 0.000 0.929 542 K CB -0.154 32.044 32.500 -0.503 0.000 0.713 542 K HN 0.020 nan 8.250 nan 0.000 0.439 543 L N 2.027 123.271 121.223 0.035 0.000 2.013 543 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 543 L C 2.060 179.001 176.870 0.118 0.000 1.073 543 L CA 1.784 56.666 54.840 0.070 0.000 0.753 543 L CB -0.599 41.479 42.059 0.033 0.000 0.890 543 L HN 0.112 nan 8.230 nan 0.000 0.432 544 K N -1.922 118.553 120.400 0.126 0.000 2.032 544 K HA -0.238 4.082 4.320 -0.001 0.000 0.209 544 K C 2.133 178.873 176.600 0.234 0.000 1.048 544 K CA 1.685 58.062 56.287 0.150 0.000 0.927 544 K CB -0.348 32.227 32.500 0.124 0.000 0.712 544 K HN 0.132 nan 8.250 nan 0.000 0.441 545 F N 1.259 121.280 119.950 0.117 0.000 2.146 545 F HA -0.092 4.435 4.527 -0.001 0.000 0.298 545 F C 2.103 178.046 175.800 0.239 0.000 1.096 545 F CA 1.032 59.124 58.000 0.153 0.000 1.275 545 F CB -0.492 38.604 39.000 0.160 0.000 1.008 545 F HN -0.010 nan 8.300 nan 0.000 0.480 546 A N 0.346 123.304 122.820 0.229 0.000 1.917 546 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 546 A C 2.443 180.043 177.584 0.027 0.000 1.182 546 A CA 2.071 54.174 52.037 0.109 0.000 0.633 546 A CB -1.553 17.564 19.000 0.195 0.000 0.819 546 A HN 0.461 nan 8.150 nan 0.000 0.448 547 A N -1.553 121.314 122.820 0.077 0.000 1.898 547 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 547 A C 2.156 179.778 177.584 0.064 0.000 1.181 547 A CA 1.599 53.677 52.037 0.068 0.000 0.620 547 A CB -0.830 18.221 19.000 0.086 0.000 0.819 547 A HN 0.826 nan 8.150 nan 0.000 0.442 548 Y N -0.391 119.868 120.300 -0.069 0.000 2.224 548 Y HA -0.129 4.420 4.550 -0.001 0.000 0.289 548 Y C 1.836 177.657 175.900 -0.132 0.000 1.146 548 Y CA 1.652 59.700 58.100 -0.088 0.000 1.182 548 Y CB -0.166 38.249 38.460 -0.074 0.000 0.983 548 Y HN 0.194 nan 8.280 nan 0.000 0.524 549 L N 0.861 122.045 121.223 -0.066 0.000 2.362 549 L HA -0.110 4.229 4.340 -0.001 0.000 0.219 549 L C 2.006 178.867 176.870 -0.014 0.000 1.134 549 L CA 1.509 56.296 54.840 -0.088 0.000 0.807 549 L CB -0.571 41.308 42.059 -0.300 0.000 0.927 549 L HN 0.340 nan 8.230 nan 0.000 0.447 550 E N -0.377 119.799 120.200 -0.040 0.000 2.060 550 E HA -0.119 4.230 4.350 -0.001 0.000 0.189 550 E C 1.543 178.119 176.600 -0.039 0.000 0.974 550 E CA 0.575 56.971 56.400 -0.007 0.000 0.808 550 E CB -0.073 29.636 29.700 0.015 0.000 0.768 550 E HN 0.479 nan 8.360 nan 0.000 0.453 551 R N 0.713 121.159 120.500 -0.090 0.000 2.391 551 R HA 0.059 4.399 4.340 -0.001 0.000 0.225 551 R C 0.596 176.754 176.300 -0.236 0.000 1.079 551 R CA 0.523 56.548 56.100 -0.126 0.000 1.147 551 R CB 0.250 30.492 30.300 -0.096 0.000 1.103 551 R HN 0.020 nan 8.270 nan 0.000 0.499 552 E N -0.408 119.626 120.200 -0.276 0.000 2.879 552 E HA 0.053 4.402 4.350 -0.001 0.000 0.206 552 E C 0.395 176.723 176.600 -0.453 0.000 0.969 552 E CA 0.501 56.639 56.400 -0.437 0.000 1.496 552 E CB -0.083 29.203 29.700 -0.691 0.000 1.454 552 E HN 0.359 nan 8.360 nan 0.000 0.750 553 Y N 1.212 121.438 120.300 -0.124 0.000 2.458 553 Y HA 0.297 4.847 4.550 -0.001 0.000 0.256 553 Y C 0.111 175.991 175.900 -0.033 0.000 1.159 553 Y CA -0.179 57.886 58.100 -0.059 0.000 1.261 553 Y CB 0.334 38.760 38.460 -0.057 0.000 1.119 553 Y HN -0.198 nan 8.280 nan 0.000 0.524 554 K N 0.815 121.249 120.400 0.056 0.000 3.602 554 K HA -0.206 4.113 4.320 -0.001 0.000 0.274 554 K C 0.312 176.963 176.600 0.085 0.000 0.864 554 K CA 0.565 56.881 56.287 0.048 0.000 0.682 554 K CB -1.366 31.146 32.500 0.020 0.000 1.576 554 K HN 0.363 nan 8.250 nan 0.000 0.447 555 V N -3.250 116.719 119.914 0.092 0.000 5.190 555 V HA 0.438 4.557 4.120 -0.001 0.000 0.160 555 V C 0.376 176.556 176.094 0.143 0.000 0.952 555 V CA 0.002 62.356 62.300 0.090 0.000 1.434 555 V CB 0.909 32.753 31.823 0.035 0.000 2.359 555 V HN 0.555 nan 8.190 nan 0.000 0.356 556 H N -0.056 119.003 119.070 -0.018 0.000 3.853 556 H HA 0.284 4.839 4.556 -0.001 0.000 0.479 556 H C -2.433 172.880 175.328 -0.025 0.000 1.796 556 H CA -0.606 55.435 56.048 -0.012 0.000 1.638 556 H CB 0.830 30.589 29.762 -0.004 0.000 2.949 556 H HN 0.427 nan 8.280 nan 0.000 0.385 557 I N 4.051 124.364 120.570 -0.427 0.000 2.377 557 I HA 0.107 4.277 4.170 -0.001 0.000 0.293 557 I C 0.775 176.655 176.117 -0.396 0.000 0.987 557 I CA -0.575 60.530 61.300 -0.323 0.000 1.185 557 I CB 1.113 39.008 38.000 -0.175 0.000 1.341 557 I HN 0.518 nan 8.210 nan 0.000 0.455 558 N N 8.881 127.450 118.700 -0.219 0.000 2.405 558 N HA 0.189 4.929 4.740 -0.001 0.000 0.260 558 N C -1.951 173.604 175.510 0.075 0.000 1.152 558 N CA -1.697 51.303 53.050 -0.082 0.000 0.948 558 N CB 1.119 39.602 38.487 -0.007 0.000 1.111 558 N HN 0.236 nan 8.380 nan 0.000 0.485 559 P HA 0.020 nan 4.420 nan 0.000 0.230 559 P C -0.184 177.085 177.300 -0.052 0.000 1.158 559 P CA 1.056 64.181 63.100 0.043 0.000 0.769 559 P CB 0.214 31.920 31.700 0.011 0.000 0.807 560 N N -1.358 117.342 118.700 0.001 0.000 2.299 560 N HA 0.009 4.749 4.740 -0.001 0.000 0.187 560 N C 0.325 175.854 175.510 0.031 0.000 1.099 560 N CA -0.120 52.930 53.050 0.000 0.000 0.867 560 N CB 0.026 38.525 38.487 0.020 0.000 0.974 560 N HN 0.104 nan 8.380 nan 0.000 0.477 561 S N 0.336 116.065 115.700 0.048 0.000 2.589 561 S HA 0.119 4.589 4.470 -0.001 0.000 0.265 561 S C 0.142 174.713 174.600 -0.049 0.000 1.342 561 S CA -0.794 57.415 58.200 0.014 0.000 1.005 561 S CB 0.917 64.151 63.200 0.057 0.000 0.909 561 S HN 0.190 nan 8.310 nan 0.000 0.555 562 L N 2.282 123.307 121.223 -0.329 0.000 2.433 562 L HA 0.298 4.637 4.340 -0.001 0.000 0.275 562 L C -0.965 175.886 176.870 -0.033 0.000 1.128 562 L CA -0.552 53.937 54.840 -0.585 0.000 0.875 562 L CB -0.249 41.212 42.059 -0.997 0.000 1.171 562 L HN 0.629 nan 8.230 nan 0.000 0.463 563 F N 3.684 123.511 119.950 -0.206 0.000 2.439 563 F HA 0.166 4.693 4.527 -0.001 0.000 0.356 563 F C 0.490 176.240 175.800 -0.082 0.000 1.161 563 F CA -0.884 57.063 58.000 -0.088 0.000 1.151 563 F CB 0.089 39.091 39.000 0.003 0.000 1.222 563 F HN 0.397 nan 8.300 nan 0.000 0.558 564 D N 4.008 124.409 120.400 0.002 0.000 2.373 564 D HA 0.405 5.045 4.640 -0.001 0.000 0.227 564 D C -1.060 175.187 176.300 -0.089 0.000 1.091 564 D CA -0.118 53.844 54.000 -0.063 0.000 0.840 564 D CB 1.207 41.945 40.800 -0.103 0.000 1.060 564 D HN 0.150 nan 8.370 nan 0.000 0.502 565 V N 4.266 124.117 119.914 -0.104 0.000 2.604 565 V HA 0.450 4.570 4.120 -0.001 0.000 0.305 565 V C -0.273 175.685 176.094 -0.227 0.000 1.043 565 V CA -0.819 61.410 62.300 -0.118 0.000 0.888 565 V CB 1.817 33.665 31.823 0.042 0.000 0.995 565 V HN 0.554 nan 8.190 nan 0.000 0.429 566 Q N 3.425 123.105 119.800 -0.200 0.000 2.275 566 Q HA 0.647 4.987 4.340 -0.001 0.000 0.266 566 Q C -1.571 174.276 176.000 -0.254 0.000 1.002 566 Q CA -0.540 55.127 55.803 -0.227 0.000 0.761 566 Q CB 2.201 30.832 28.738 -0.179 0.000 1.255 566 Q HN 0.773 nan 8.270 nan 0.000 0.446 567 V N 1.580 121.330 119.914 -0.273 0.000 2.465 567 V HA 0.606 4.725 4.120 -0.001 0.000 0.263 567 V C -0.923 174.964 176.094 -0.344 0.000 0.981 567 V CA -0.786 61.214 62.300 -0.500 0.000 0.838 567 V CB 0.537 31.805 31.823 -0.926 0.000 1.068 567 V HN 0.521 nan 8.190 nan 0.000 0.458 568 K N 2.423 122.685 120.400 -0.230 0.000 2.346 568 K HA 0.613 4.933 4.320 -0.001 0.000 0.238 568 K C -0.057 176.505 176.600 -0.064 0.000 1.039 568 K CA -0.887 55.332 56.287 -0.114 0.000 0.861 568 K CB 1.970 34.391 32.500 -0.132 0.000 1.278 568 K HN 0.813 nan 8.250 nan 0.000 0.460 569 R N 0.572 121.075 120.500 0.005 0.000 2.594 569 R HA 0.199 4.539 4.340 -0.001 0.000 0.272 569 R C 0.072 176.391 176.300 0.033 0.000 1.074 569 R CA -0.553 55.587 56.100 0.066 0.000 1.105 569 R CB 0.080 30.452 30.300 0.120 0.000 1.008 569 R HN 0.333 nan 8.270 nan 0.000 0.472 570 I N 3.204 123.819 120.570 0.075 0.000 2.618 570 I HA 0.102 4.272 4.170 -0.001 0.000 0.284 570 I C 0.375 176.529 176.117 0.062 0.000 1.146 570 I CA 0.705 62.022 61.300 0.029 0.000 1.425 570 I CB -0.472 37.543 38.000 0.025 0.000 1.383 570 I HN 0.713 nan 8.210 nan 0.000 0.562 571 H N 4.631 123.632 119.070 -0.114 0.000 3.041 571 H HA 0.082 4.637 4.556 -0.001 0.000 0.293 571 H C 0.491 175.716 175.328 -0.172 0.000 1.166 571 H CA -0.403 55.622 56.048 -0.038 0.000 1.529 571 H CB 1.127 30.834 29.762 -0.092 0.000 2.050 571 H HN 0.651 nan 8.280 nan 0.000 0.505 572 E N 2.281 122.613 120.200 0.220 0.000 2.108 572 E HA -0.299 4.050 4.350 -0.001 0.000 0.203 572 E C 1.374 177.824 176.600 -0.250 0.000 1.022 572 E CA 2.414 58.867 56.400 0.087 0.000 0.823 572 E CB -0.165 29.723 29.700 0.313 0.000 0.744 572 E HN 0.617 nan 8.360 nan 0.000 0.456 573 Y N 0.661 120.510 120.300 -0.751 0.000 2.439 573 Y HA 0.042 4.591 4.550 -0.001 0.000 0.292 573 Y C 1.768 177.400 175.900 -0.447 0.000 1.130 573 Y CA 0.730 58.146 58.100 -1.140 0.000 1.254 573 Y CB -0.051 37.511 38.460 -1.497 0.000 1.000 573 Y HN -0.216 nan 8.280 nan 0.000 0.554 574 K N 0.838 120.735 120.400 -0.838 0.000 2.288 574 K HA 0.029 4.349 4.320 -0.001 0.000 0.201 574 K C 0.320 176.754 176.600 -0.277 0.000 1.048 574 K CA 0.720 56.674 56.287 -0.554 0.000 0.956 574 K CB -0.060 32.124 32.500 -0.525 0.000 0.746 574 K HN 0.280 nan 8.250 nan 0.000 0.461 575 R N 0.325 120.697 120.500 -0.215 0.000 3.423 575 R HA -0.167 4.173 4.340 -0.001 0.000 0.271 575 R C 0.414 176.642 176.300 -0.120 0.000 1.093 575 R CA 0.621 56.644 56.100 -0.128 0.000 0.730 575 R CB -1.607 28.628 30.300 -0.108 0.000 1.190 575 R HN 0.342 nan 8.270 nan 0.000 0.437 576 Q N -0.054 119.678 119.800 -0.112 0.000 2.437 576 Q HA -0.118 4.221 4.340 -0.001 0.000 0.210 576 Q C 1.587 177.545 176.000 -0.070 0.000 0.972 576 Q CA 1.080 56.830 55.803 -0.088 0.000 0.903 576 Q CB 0.041 28.737 28.738 -0.071 0.000 0.967 576 Q HN 0.624 nan 8.270 nan 0.000 0.486 577 L N 0.160 121.344 121.223 -0.064 0.000 2.156 577 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 577 L C 2.221 179.092 176.870 0.003 0.000 1.095 577 L CA 0.427 55.241 54.840 -0.043 0.000 0.770 577 L CB -0.279 41.763 42.059 -0.030 0.000 0.914 577 L HN 0.184 nan 8.230 nan 0.000 0.439 578 L N -0.137 121.077 121.223 -0.014 0.000 2.056 578 L HA -0.208 4.132 4.340 -0.001 0.000 0.207 578 L C 2.007 178.916 176.870 0.065 0.000 1.078 578 L CA 1.828 56.667 54.840 -0.001 0.000 0.749 578 L CB -0.680 41.278 42.059 -0.168 0.000 0.901 578 L HN 0.269 nan 8.230 nan 0.000 0.433 579 N N -1.636 117.072 118.700 0.013 0.000 2.069 579 N HA -0.247 4.493 4.740 -0.001 0.000 0.191 579 N C 1.951 177.547 175.510 0.142 0.000 1.031 579 N CA 1.793 54.933 53.050 0.151 0.000 0.852 579 N CB -0.160 38.350 38.487 0.038 0.000 1.018 579 N HN 0.500 nan 8.380 nan 0.000 0.423 580 C N 0.490 119.809 119.300 0.031 0.000 2.413 580 C HA -0.104 4.356 4.460 -0.001 0.000 0.276 580 C C 2.584 177.571 174.990 -0.006 0.000 1.236 580 C CA 0.434 59.423 59.018 -0.047 0.000 1.735 580 C CB -1.345 26.314 27.740 -0.136 0.000 2.031 580 C HN 0.509 nan 8.230 nan 0.000 0.474 581 L N -0.241 121.035 121.223 0.088 0.000 2.043 581 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 581 L C 2.781 179.799 176.870 0.246 0.000 1.075 581 L CA 2.024 56.968 54.840 0.173 0.000 0.752 581 L CB -1.083 41.155 42.059 0.298 0.000 0.891 581 L HN 0.595 nan 8.230 nan 0.000 0.432 582 H N -0.016 119.165 119.070 0.184 0.000 2.321 582 H HA -0.134 4.421 4.556 -0.001 0.000 0.300 582 H C 2.242 177.561 175.328 -0.014 0.000 1.087 582 H CA 1.969 58.044 56.048 0.045 0.000 1.319 582 H CB 0.289 30.011 29.762 -0.067 0.000 1.379 582 H HN 0.116 nan 8.280 nan 0.000 0.501 583 V N 1.536 121.386 119.914 -0.106 0.000 2.332 583 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 583 V C 2.766 178.798 176.094 -0.103 0.000 1.055 583 V CA 1.924 64.127 62.300 -0.163 0.000 1.038 583 V CB -0.487 31.271 31.823 -0.107 0.000 0.651 583 V HN 0.394 nan 8.190 nan 0.000 0.450 584 I N -0.350 120.192 120.570 -0.046 0.000 2.500 584 I HA -0.146 4.023 4.170 -0.001 0.000 0.252 584 I C 2.452 178.620 176.117 0.086 0.000 1.142 584 I CA 1.289 62.630 61.300 0.068 0.000 1.451 584 I CB -0.622 37.400 38.000 0.038 0.000 1.093 584 I HN 0.296 nan 8.210 nan 0.000 0.430 585 T N 1.369 115.928 114.554 0.007 0.000 2.708 585 T HA -0.138 4.212 4.350 -0.001 0.000 0.266 585 T C 1.901 176.543 174.700 -0.097 0.000 1.037 585 T CA 1.188 63.279 62.100 -0.015 0.000 1.146 585 T CB -0.248 68.636 68.868 0.027 0.000 0.865 585 T HN 0.080 nan 8.240 nan 0.000 0.435 586 L N 0.293 121.388 121.223 -0.212 0.000 2.079 586 L HA -0.042 4.298 4.340 -0.001 0.000 0.210 586 L C 2.128 178.952 176.870 -0.078 0.000 1.081 586 L CA 1.549 56.263 54.840 -0.211 0.000 0.752 586 L CB -1.010 40.853 42.059 -0.327 0.000 0.896 586 L HN 0.365 nan 8.230 nan 0.000 0.433 587 Y N 0.140 120.371 120.300 -0.115 0.000 2.200 587 Y HA -0.209 4.341 4.550 -0.001 0.000 0.290 587 Y C 2.375 178.250 175.900 -0.042 0.000 1.137 587 Y CA 1.668 59.738 58.100 -0.049 0.000 1.163 587 Y CB -0.238 38.237 38.460 0.025 0.000 0.988 587 Y HN 0.266 nan 8.280 nan 0.000 0.518 588 N N 0.471 119.081 118.700 -0.151 0.000 2.188 588 N HA -0.124 4.615 4.740 -0.001 0.000 0.184 588 N C 1.899 177.279 175.510 -0.218 0.000 1.018 588 N CA 1.377 54.283 53.050 -0.240 0.000 0.858 588 N CB -0.353 38.069 38.487 -0.109 0.000 0.989 588 N HN 0.434 nan 8.380 nan 0.000 0.426 589 R N 0.523 120.928 120.500 -0.159 0.000 2.075 589 R HA 0.075 4.415 4.340 -0.001 0.000 0.232 589 R C 2.254 178.466 176.300 -0.148 0.000 1.126 589 R CA 0.794 56.814 56.100 -0.133 0.000 0.963 589 R CB -0.292 29.940 30.300 -0.112 0.000 0.858 589 R HN 0.200 nan 8.270 nan 0.000 0.435 590 I N 0.718 121.184 120.570 -0.174 0.000 2.264 590 I HA -0.297 3.872 4.170 -0.001 0.000 0.248 590 I C 2.404 178.411 176.117 -0.184 0.000 1.111 590 I CA 1.393 62.595 61.300 -0.163 0.000 1.382 590 I CB -0.114 37.798 38.000 -0.147 0.000 1.060 590 I HN 0.102 nan 8.210 nan 0.000 0.418 591 K N 0.522 120.752 120.400 -0.282 0.000 2.228 591 K HA -0.110 4.209 4.320 -0.001 0.000 0.202 591 K C 2.145 178.646 176.600 -0.165 0.000 1.051 591 K CA 0.762 56.890 56.287 -0.264 0.000 0.960 591 K CB 0.149 32.385 32.500 -0.440 0.000 0.743 591 K HN 0.109 nan 8.250 nan 0.000 0.458 592 K N 0.551 120.860 120.400 -0.151 0.000 2.103 592 K HA -0.058 4.262 4.320 -0.001 0.000 0.204 592 K C -0.130 176.424 176.600 -0.076 0.000 1.052 592 K CA 1.056 57.283 56.287 -0.101 0.000 0.945 592 K CB 0.363 32.806 32.500 -0.093 0.000 0.722 592 K HN 0.029 nan 8.250 nan 0.000 0.443 593 E N 0.395 120.548 120.200 -0.078 0.000 2.873 593 E HA 0.106 4.456 4.350 -0.001 0.000 0.232 593 E C -2.225 174.341 176.600 -0.057 0.000 1.123 593 E CA -1.501 54.866 56.400 -0.056 0.000 0.809 593 E CB 1.553 31.227 29.700 -0.044 0.000 1.366 593 E HN 0.112 nan 8.360 nan 0.000 0.400 594 P HA -0.071 nan 4.420 nan 0.000 0.239 594 P C 0.219 177.501 177.300 -0.029 0.000 1.184 594 P CA 0.716 63.786 63.100 -0.050 0.000 0.760 594 P CB 0.455 32.129 31.700 -0.044 0.000 0.884 595 N N -0.653 118.036 118.700 -0.018 0.000 2.322 595 N HA 0.035 4.775 4.740 -0.001 0.000 0.181 595 N C 0.754 176.277 175.510 0.021 0.000 1.088 595 N CA 0.068 53.120 53.050 0.003 0.000 0.885 595 N CB 0.377 38.867 38.487 0.005 0.000 1.013 595 N HN 0.199 nan 8.380 nan 0.000 0.472 596 K N 1.304 121.709 120.400 0.009 0.000 2.448 596 K HA 0.006 4.325 4.320 -0.001 0.000 0.278 596 K C -0.312 176.318 176.600 0.051 0.000 1.009 596 K CA -0.226 56.082 56.287 0.034 0.000 0.995 596 K CB 0.524 33.026 32.500 0.003 0.000 0.917 596 K HN -0.052 nan 8.250 nan 0.000 0.481 597 F N 4.177 124.114 119.950 -0.022 0.000 2.538 597 F HA 0.153 4.680 4.527 -0.001 0.000 0.371 597 F C -0.548 175.238 175.800 -0.024 0.000 1.087 597 F CA -0.109 57.879 58.000 -0.019 0.000 1.250 597 F CB 0.567 39.558 39.000 -0.014 0.000 1.110 597 F HN 0.066 nan 8.300 nan 0.000 0.570 598 V N 6.417 125.689 119.914 -1.070 0.000 2.925 598 V HA 0.295 4.414 4.120 -0.001 0.000 0.311 598 V C -0.849 174.639 176.094 -1.011 0.000 1.104 598 V CA -1.081 60.731 62.300 -0.814 0.000 0.954 598 V CB 2.061 33.653 31.823 -0.385 0.000 1.022 598 V HN 0.582 nan 8.190 nan 0.000 0.427 599 V N 5.860 125.405 119.914 -0.615 0.000 2.415 599 V HA 0.212 4.332 4.120 -0.001 0.000 0.267 599 V C -2.103 173.821 176.094 -0.283 0.000 1.042 599 V CA -1.330 60.751 62.300 -0.365 0.000 1.000 599 V CB 0.785 32.509 31.823 -0.165 0.000 1.015 599 V HN 0.752 nan 8.190 nan 0.000 0.478 600 P HA 0.279 nan 4.420 nan 0.000 0.266 600 P C -0.407 176.789 177.300 -0.174 0.000 1.195 600 P CA 0.046 63.050 63.100 -0.161 0.000 0.768 600 P CB 0.495 32.143 31.700 -0.088 0.000 0.838 601 R N 0.994 121.405 120.500 -0.148 0.000 2.621 601 R HA 0.527 4.867 4.340 -0.001 0.000 0.284 601 R C -0.771 175.457 176.300 -0.120 0.000 0.998 601 R CA -0.582 55.428 56.100 -0.150 0.000 0.895 601 R CB 1.814 32.013 30.300 -0.169 0.000 1.195 601 R HN 0.288 nan 8.270 nan 0.000 0.450 602 T N 2.135 116.617 114.554 -0.120 0.000 2.770 602 T HA 0.189 4.539 4.350 -0.001 0.000 0.297 602 T C -0.571 173.997 174.700 -0.220 0.000 0.997 602 T CA -0.523 61.446 62.100 -0.219 0.000 0.949 602 T CB 1.148 69.762 68.868 -0.425 0.000 0.941 602 T HN 0.306 nan 8.240 nan 0.000 0.457 603 V N 5.893 125.698 119.914 -0.182 0.000 2.432 603 V HA 0.656 4.775 4.120 -0.001 0.000 0.275 603 V C -0.585 175.402 176.094 -0.179 0.000 1.043 603 V CA -0.586 61.620 62.300 -0.156 0.000 0.925 603 V CB 0.659 32.418 31.823 -0.106 0.000 0.985 603 V HN 0.886 nan 8.190 nan 0.000 0.466 604 M N 7.743 127.237 119.600 -0.177 0.000 2.190 604 M HA 0.584 5.064 4.480 -0.001 0.000 0.312 604 M C -1.056 175.128 176.300 -0.193 0.000 0.990 604 M CA -0.196 54.988 55.300 -0.193 0.000 0.927 604 M CB 1.976 34.474 32.600 -0.171 0.000 1.571 604 M HN 0.508 nan 8.290 nan 0.000 0.427 605 I N 2.071 122.505 120.570 -0.225 0.000 2.433 605 I HA 0.796 4.966 4.170 -0.001 0.000 0.292 605 I C 0.235 176.006 176.117 -0.576 0.000 1.001 605 I CA -0.565 60.579 61.300 -0.260 0.000 1.119 605 I CB 2.113 40.060 38.000 -0.088 0.000 1.289 605 I HN 0.772 nan 8.210 nan 0.000 0.438 606 G N 3.019 111.468 108.800 -0.584 0.000 2.642 606 G HA2 0.852 4.812 3.960 -0.001 0.000 0.293 606 G HA3 0.852 4.812 3.960 -0.001 0.000 0.293 606 G C -0.880 173.741 174.900 -0.466 0.000 1.341 606 G CA -0.839 43.807 45.100 -0.757 0.000 0.916 606 G HN 0.987 nan 8.290 nan 0.000 0.474 607 G N -0.468 108.225 108.800 -0.178 0.000 2.312 607 G HA2 0.327 4.287 3.960 -0.001 0.000 0.347 607 G HA3 0.327 4.287 3.960 -0.001 0.000 0.347 607 G C -1.210 173.867 174.900 0.296 0.000 1.564 607 G CA -1.052 44.103 45.100 0.091 0.000 0.981 607 G HN 0.603 nan 8.290 nan 0.000 0.678 608 K N 0.100 120.666 120.400 0.278 0.000 2.130 608 K HA 0.714 5.033 4.320 -0.001 0.000 0.268 608 K C 0.306 177.081 176.600 0.293 0.000 0.983 608 K CA -0.150 56.329 56.287 0.319 0.000 0.893 608 K CB 2.028 34.668 32.500 0.233 0.000 1.066 608 K HN 0.894 nan 8.250 nan 0.000 0.450 609 A N 1.750 124.750 122.820 0.300 0.000 2.305 609 A HA 0.591 4.911 4.320 -0.001 0.000 0.322 609 A C -0.300 177.442 177.584 0.264 0.000 1.187 609 A CA -0.695 51.465 52.037 0.205 0.000 0.825 609 A CB 0.902 19.946 19.000 0.074 0.000 1.164 609 A HN 0.790 nan 8.150 nan 0.000 0.498 610 A N 3.937 126.920 122.820 0.272 0.000 2.520 610 A HA 0.523 4.843 4.320 -0.001 0.000 0.245 610 A C -2.348 175.330 177.584 0.158 0.000 1.072 610 A CA -0.902 51.291 52.037 0.259 0.000 0.761 610 A CB -0.682 18.485 19.000 0.277 0.000 1.004 610 A HN 0.582 nan 8.150 nan 0.000 0.499 611 P HA 0.290 nan 4.420 nan 0.000 0.265 611 P C 1.132 178.471 177.300 0.066 0.000 1.193 611 P CA 1.577 64.661 63.100 -0.026 0.000 0.765 611 P CB 0.802 32.428 31.700 -0.122 0.000 0.823 612 G N 2.019 110.865 108.800 0.077 0.000 2.268 612 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.240 612 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.240 612 G C -0.153 174.867 174.900 0.200 0.000 1.010 612 G CA -0.336 44.829 45.100 0.108 0.000 0.618 612 G HN 0.547 nan 8.290 nan 0.000 0.516 613 Y N 3.195 123.524 120.300 0.049 0.000 2.613 613 Y HA 0.453 5.003 4.550 -0.001 0.000 0.354 613 Y C 1.418 177.362 175.900 0.074 0.000 1.063 613 Y CA -0.431 57.696 58.100 0.045 0.000 1.384 613 Y CB -0.467 37.992 38.460 -0.002 0.000 1.199 613 Y HN 0.409 nan 8.280 nan 0.000 0.517 614 H N 4.405 123.594 119.070 0.199 0.000 2.333 614 H HA -0.143 4.413 4.556 -0.001 0.000 0.302 614 H C 1.711 177.026 175.328 -0.022 0.000 1.075 614 H CA 1.748 57.834 56.048 0.065 0.000 1.348 614 H CB 0.419 30.231 29.762 0.084 0.000 1.393 614 H HN 0.674 nan 8.280 nan 0.000 0.509 615 M N 1.095 120.637 119.600 -0.096 0.000 2.144 615 M HA -0.128 4.351 4.480 -0.001 0.000 0.260 615 M C 2.476 178.517 176.300 -0.431 0.000 1.067 615 M CA 1.797 56.967 55.300 -0.218 0.000 1.095 615 M CB -0.455 32.126 32.600 -0.032 0.000 1.365 615 M HN 0.348 nan 8.290 nan 0.000 0.406 616 A N -0.661 121.666 122.820 -0.820 0.000 1.969 616 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 616 A C 2.160 179.564 177.584 -0.301 0.000 1.169 616 A CA 1.759 53.404 52.037 -0.653 0.000 0.635 616 A CB -0.601 17.873 19.000 -0.877 0.000 0.810 616 A HN 0.573 nan 8.150 nan 0.000 0.445 617 K N -1.123 119.142 120.400 -0.225 0.000 2.155 617 K HA -0.038 4.281 4.320 -0.001 0.000 0.203 617 K C 1.960 178.543 176.600 -0.028 0.000 1.052 617 K CA 1.161 57.406 56.287 -0.070 0.000 0.948 617 K CB -0.206 32.299 32.500 0.007 0.000 0.728 617 K HN 0.332 nan 8.250 nan 0.000 0.448 618 M N 0.667 120.195 119.600 -0.119 0.000 2.086 618 M HA -0.124 4.356 4.480 -0.001 0.000 0.261 618 M C 2.180 178.439 176.300 -0.069 0.000 1.067 618 M CA 1.553 56.829 55.300 -0.040 0.000 1.116 618 M CB -0.753 31.805 32.600 -0.070 0.000 1.348 618 M HN 0.118 nan 8.290 nan 0.000 0.407 619 I N -0.168 120.321 120.570 -0.135 0.000 2.264 619 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 619 I C 2.301 178.310 176.117 -0.180 0.000 1.111 619 I CA 1.075 62.285 61.300 -0.151 0.000 1.382 619 I CB -0.347 37.563 38.000 -0.150 0.000 1.060 619 I HN 0.196 nan 8.210 nan 0.000 0.418 620 I N 0.554 120.996 120.570 -0.214 0.000 2.179 620 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 620 I C 2.588 178.462 176.117 -0.405 0.000 1.088 620 I CA 1.276 62.349 61.300 -0.379 0.000 1.357 620 I CB -0.303 37.426 38.000 -0.453 0.000 1.051 620 I HN 0.135 nan 8.210 nan 0.000 0.409 621 K N 1.247 121.434 120.400 -0.354 0.000 2.097 621 K HA -0.191 4.129 4.320 -0.001 0.000 0.206 621 K C 1.978 178.439 176.600 -0.232 0.000 1.049 621 K CA 1.352 57.357 56.287 -0.470 0.000 0.933 621 K CB -0.460 31.512 32.500 -0.879 0.000 0.717 621 K HN 0.095 nan 8.250 nan 0.000 0.442 622 L N 0.795 121.910 121.223 -0.179 0.000 2.012 622 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 622 L C 1.923 178.559 176.870 -0.389 0.000 1.073 622 L CA 1.675 56.236 54.840 -0.465 0.000 0.748 622 L CB -0.419 41.279 42.059 -0.602 0.000 0.891 622 L HN 0.282 nan 8.230 nan 0.000 0.431 623 I N -0.781 119.623 120.570 -0.277 0.000 2.163 623 I HA -0.336 3.833 4.170 -0.001 0.000 0.243 623 I C 2.445 178.464 176.117 -0.164 0.000 1.085 623 I CA 1.898 63.084 61.300 -0.190 0.000 1.347 623 I CB -0.893 37.085 38.000 -0.037 0.000 1.044 623 I HN 0.469 nan 8.210 nan 0.000 0.408 624 T N -0.746 113.703 114.554 -0.175 0.000 2.821 624 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 624 T C 1.997 176.640 174.700 -0.096 0.000 1.046 624 T CA 0.924 62.953 62.100 -0.119 0.000 1.139 624 T CB -0.559 68.214 68.868 -0.159 0.000 0.871 624 T HN 0.346 nan 8.240 nan 0.000 0.454 625 A N 1.741 124.492 122.820 -0.116 0.000 1.902 625 A HA 0.072 4.392 4.320 -0.001 0.000 0.217 625 A C 2.371 179.952 177.584 -0.005 0.000 1.181 625 A CA 1.509 53.539 52.037 -0.011 0.000 0.623 625 A CB -0.881 18.185 19.000 0.110 0.000 0.818 625 A HN 0.584 nan 8.150 nan 0.000 0.443 626 I N -0.226 120.219 120.570 -0.209 0.000 2.226 626 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 626 I C 2.729 178.785 176.117 -0.103 0.000 1.100 626 I CA 1.084 62.227 61.300 -0.262 0.000 1.374 626 I CB -0.697 37.013 38.000 -0.484 0.000 1.057 626 I HN 0.384 nan 8.210 nan 0.000 0.413 627 G N 0.698 109.438 108.800 -0.099 0.000 2.513 627 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.219 627 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.219 627 G C 1.156 176.043 174.900 -0.021 0.000 1.160 627 G CA 1.609 46.667 45.100 -0.070 0.000 0.767 627 G HN 0.371 nan 8.290 nan 0.000 0.571 628 D N -0.440 119.993 120.400 0.055 0.000 2.149 628 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 628 D C 2.672 179.093 176.300 0.202 0.000 0.990 628 D CA 0.957 55.066 54.000 0.182 0.000 0.839 628 D CB 0.021 40.896 40.800 0.125 0.000 0.948 628 D HN 0.254 nan 8.370 nan 0.000 0.460 629 V N 0.479 120.452 119.914 0.098 0.000 2.255 629 V HA -0.182 3.937 4.120 -0.001 0.000 0.243 629 V C 2.573 178.653 176.094 -0.024 0.000 1.038 629 V CA 1.597 63.919 62.300 0.037 0.000 1.008 629 V CB -0.577 31.268 31.823 0.037 0.000 0.645 629 V HN 0.251 nan 8.190 nan 0.000 0.449 630 V N -0.607 119.237 119.914 -0.117 0.000 2.548 630 V HA -0.098 4.022 4.120 -0.001 0.000 0.249 630 V C 1.905 177.962 176.094 -0.061 0.000 1.055 630 V CA 2.099 64.338 62.300 -0.102 0.000 1.065 630 V CB -1.037 30.706 31.823 -0.133 0.000 0.681 630 V HN 0.534 nan 8.190 nan 0.000 0.462 631 N N 0.425 119.025 118.700 -0.167 0.000 2.550 631 N HA -0.023 4.717 4.740 -0.001 0.000 0.186 631 N C 0.927 176.126 175.510 -0.519 0.000 1.110 631 N CA 1.292 54.137 53.050 -0.342 0.000 0.912 631 N CB -0.406 37.809 38.487 -0.453 0.000 0.968 631 N HN 0.816 nan 8.380 nan 0.000 0.448 632 H N -1.803 117.282 119.070 0.024 0.000 3.052 632 H HA 0.201 4.756 4.556 -0.001 0.000 0.257 632 H C -0.662 174.686 175.328 0.035 0.000 1.193 632 H CA -0.538 55.524 56.048 0.023 0.000 1.072 632 H CB 0.778 30.545 29.762 0.008 0.000 1.685 632 H HN -0.058 nan 8.280 nan 0.000 0.630 633 D N 1.761 122.240 120.400 0.131 0.000 2.325 633 D HA 0.048 4.688 4.640 -0.001 0.000 0.251 633 D C -1.569 174.789 176.300 0.097 0.000 1.196 633 D CA -2.099 51.985 54.000 0.140 0.000 0.866 633 D CB 1.671 42.617 40.800 0.243 0.000 1.101 633 D HN 0.115 nan 8.370 nan 0.000 0.476 634 P HA -0.128 nan 4.420 nan 0.000 0.218 634 P C 1.518 178.839 177.300 0.036 0.000 1.149 634 P CA 0.466 63.595 63.100 0.047 0.000 0.817 634 P CB 0.376 32.097 31.700 0.035 0.000 0.785 635 V N -0.647 119.290 119.914 0.038 0.000 2.407 635 V HA -0.185 3.935 4.120 -0.001 0.000 0.248 635 V C 2.412 178.514 176.094 0.013 0.000 1.055 635 V CA 1.672 63.982 62.300 0.017 0.000 1.049 635 V CB -1.288 30.537 31.823 0.003 0.000 0.662 635 V HN -0.013 nan 8.190 nan 0.000 0.455 636 V N -0.066 119.874 119.914 0.043 0.000 2.453 636 V HA 0.136 4.255 4.120 -0.001 0.000 0.247 636 V C 1.895 178.002 176.094 0.022 0.000 1.048 636 V CA 1.589 63.913 62.300 0.040 0.000 1.049 636 V CB -1.145 30.746 31.823 0.113 0.000 0.672 636 V HN 0.760 nan 8.190 nan 0.000 0.457 637 G N 1.640 110.458 108.800 0.030 0.000 2.543 637 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.286 637 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.286 637 G C 0.161 175.082 174.900 0.035 0.000 1.153 637 G CA 0.509 45.624 45.100 0.025 0.000 0.968 637 G HN 0.768 nan 8.290 nan 0.000 0.544 638 D N -0.112 120.313 120.400 0.043 0.000 2.772 638 D HA 0.491 5.130 4.640 -0.001 0.000 0.272 638 D C 1.357 177.664 176.300 0.010 0.000 1.314 638 D CA -0.248 53.787 54.000 0.058 0.000 0.835 638 D CB 0.375 41.265 40.800 0.149 0.000 1.080 638 D HN 0.513 nan 8.370 nan 0.000 0.482 639 R N -0.394 120.097 120.500 -0.016 0.000 2.265 639 R HA 0.374 4.714 4.340 -0.001 0.000 0.194 639 R C -0.015 176.242 176.300 -0.071 0.000 0.931 639 R CA 0.145 56.211 56.100 -0.057 0.000 1.032 639 R CB 0.807 31.062 30.300 -0.075 0.000 0.980 639 R HN 0.188 nan 8.270 nan 0.000 0.497 640 L N 0.964 122.160 121.223 -0.045 0.000 2.562 640 L HA 0.470 4.810 4.340 -0.001 0.000 0.266 640 L C -1.590 175.245 176.870 -0.059 0.000 0.949 640 L CA -0.563 54.243 54.840 -0.056 0.000 0.879 640 L CB 1.745 43.789 42.059 -0.024 0.000 1.278 640 L HN 0.043 nan 8.230 nan 0.000 0.404 641 R N 3.482 123.924 120.500 -0.096 0.000 2.575 641 R HA 0.635 4.974 4.340 -0.001 0.000 0.293 641 R C -1.314 174.899 176.300 -0.144 0.000 0.983 641 R CA -0.663 55.364 56.100 -0.122 0.000 0.887 641 R CB 2.656 32.871 30.300 -0.141 0.000 1.184 641 R HN 0.348 nan 8.270 nan 0.000 0.445 642 V N 5.299 125.128 119.914 -0.141 0.000 2.378 642 V HA 0.530 4.649 4.120 -0.001 0.000 0.288 642 V C 0.115 176.123 176.094 -0.144 0.000 1.016 642 V CA -0.574 61.643 62.300 -0.140 0.000 0.840 642 V CB 1.784 33.531 31.823 -0.125 0.000 0.994 642 V HN 0.571 nan 8.190 nan 0.000 0.431 643 I N 4.818 125.282 120.570 -0.177 0.000 2.436 643 I HA 0.414 4.584 4.170 -0.001 0.000 0.289 643 I C -0.899 175.125 176.117 -0.155 0.000 1.010 643 I CA -0.565 60.604 61.300 -0.218 0.000 1.098 643 I CB 2.209 39.964 38.000 -0.407 0.000 1.266 643 I HN 0.532 nan 8.210 nan 0.000 0.434 644 F N 7.302 127.147 119.950 -0.175 0.000 2.421 644 F HA 0.412 4.939 4.527 -0.001 0.000 0.358 644 F C -0.363 175.408 175.800 -0.047 0.000 1.115 644 F CA -0.340 57.606 58.000 -0.090 0.000 1.160 644 F CB 0.581 39.563 39.000 -0.029 0.000 1.123 644 F HN 0.242 nan 8.300 nan 0.000 0.508 645 L N 6.062 126.905 121.223 -0.633 0.000 2.315 645 L HA 0.188 4.527 4.340 -0.001 0.000 0.283 645 L C 0.241 177.066 176.870 -0.075 0.000 1.089 645 L CA -0.134 54.568 54.840 -0.231 0.000 0.833 645 L CB 0.699 42.666 42.059 -0.153 0.000 1.170 645 L HN 0.628 nan 8.230 nan 0.000 0.442 646 E N 3.883 124.320 120.200 0.397 0.000 2.316 646 E HA -0.015 4.335 4.350 -0.001 0.000 0.275 646 E C 0.242 177.025 176.600 0.306 0.000 1.029 646 E CA -0.342 56.302 56.400 0.406 0.000 0.871 646 E CB 0.430 30.341 29.700 0.352 0.000 1.022 646 E HN 0.543 nan 8.360 nan 0.000 0.418 647 N N 3.284 122.164 118.700 0.300 0.000 2.696 647 N HA -0.289 4.450 4.740 -0.001 0.000 0.256 647 N C -1.612 174.017 175.510 0.198 0.000 1.031 647 N CA 0.491 53.677 53.050 0.225 0.000 0.730 647 N CB -1.436 37.157 38.487 0.177 0.000 0.894 647 N HN 0.502 nan 8.380 nan 0.000 0.544 648 Y N 1.788 122.140 120.300 0.087 0.000 2.620 648 Y HA 0.227 4.777 4.550 -0.001 0.000 0.330 648 Y C 1.105 177.041 175.900 0.060 0.000 1.186 648 Y CA 0.746 58.876 58.100 0.050 0.000 1.467 648 Y CB 0.352 38.814 38.460 0.003 0.000 1.262 648 Y HN 0.440 nan 8.280 nan 0.000 0.550 649 R N 2.524 122.679 120.500 -0.574 0.000 2.756 649 R HA 0.371 4.710 4.340 -0.001 0.000 0.273 649 R C -0.694 175.262 176.300 -0.574 0.000 1.030 649 R CA -0.512 55.321 56.100 -0.445 0.000 0.887 649 R CB 0.257 30.462 30.300 -0.158 0.000 1.274 649 R HN 0.390 nan 8.270 nan 0.000 0.461 650 V N 1.188 120.774 119.914 -0.546 0.000 2.324 650 V HA -0.275 3.844 4.120 -0.001 0.000 0.250 650 V C 2.493 178.444 176.094 -0.237 0.000 1.060 650 V CA 2.860 64.920 62.300 -0.399 0.000 1.042 650 V CB -0.734 30.804 31.823 -0.476 0.000 0.650 650 V HN 0.881 nan 8.190 nan 0.000 0.450 651 S N -0.805 114.762 115.700 -0.222 0.000 2.428 651 S HA -0.051 4.419 4.470 -0.001 0.000 0.230 651 S C 1.990 176.519 174.600 -0.117 0.000 1.014 651 S CA 1.009 59.116 58.200 -0.156 0.000 0.957 651 S CB -0.368 62.764 63.200 -0.113 0.000 0.784 651 S HN 0.495 nan 8.310 nan 0.000 0.499 652 L N 0.980 122.133 121.223 -0.117 0.000 2.109 652 L HA 0.074 4.413 4.340 -0.001 0.000 0.207 652 L C 2.907 179.742 176.870 -0.058 0.000 1.086 652 L CA 1.203 56.015 54.840 -0.048 0.000 0.760 652 L CB -0.804 41.284 42.059 0.049 0.000 0.910 652 L HN 0.486 nan 8.230 nan 0.000 0.437 653 A N -0.372 122.380 122.820 -0.114 0.000 2.019 653 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 653 A C 1.982 179.607 177.584 0.068 0.000 1.164 653 A CA 1.539 53.584 52.037 0.012 0.000 0.644 653 A CB -0.348 18.642 19.000 -0.016 0.000 0.805 653 A HN 0.521 nan 8.150 nan 0.000 0.449 654 E N -0.497 119.719 120.200 0.027 0.000 2.216 654 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 654 E C 1.883 178.425 176.600 -0.096 0.000 0.988 654 E CA 0.969 57.356 56.400 -0.020 0.000 0.834 654 E CB -0.015 29.591 29.700 -0.157 0.000 0.772 654 E HN 0.596 nan 8.360 nan 0.000 0.479 655 K N 0.141 120.450 120.400 -0.151 0.000 2.166 655 K HA 0.004 4.323 4.320 -0.001 0.000 0.201 655 K C 2.104 178.405 176.600 -0.498 0.000 1.052 655 K CA 0.521 56.676 56.287 -0.220 0.000 0.969 655 K CB 0.201 32.591 32.500 -0.183 0.000 0.761 655 K HN -0.025 nan 8.250 nan 0.000 0.459 656 V N 1.305 120.865 119.914 -0.590 0.000 2.725 656 V HA -0.055 4.065 4.120 -0.001 0.000 0.247 656 V C 1.787 177.624 176.094 -0.427 0.000 1.058 656 V CA 0.883 62.666 62.300 -0.863 0.000 1.080 656 V CB -0.058 31.388 31.823 -0.629 0.000 0.713 656 V HN 0.195 nan 8.190 nan 0.000 0.465 657 I N 0.900 121.265 120.570 -0.342 0.000 2.226 657 I HA -0.121 4.049 4.170 -0.001 0.000 0.245 657 I C -0.257 175.708 176.117 -0.254 0.000 1.100 657 I CA 1.634 62.653 61.300 -0.469 0.000 1.374 657 I CB -1.416 36.184 38.000 -0.665 0.000 1.057 657 I HN 0.363 nan 8.210 nan 0.000 0.413 658 P HA -0.136 nan 4.420 nan 0.000 0.220 658 P C 0.899 178.172 177.300 -0.045 0.000 1.148 658 P CA 1.363 64.415 63.100 -0.080 0.000 0.803 658 P CB 0.034 31.694 31.700 -0.066 0.000 0.782 659 A N -1.534 121.242 122.820 -0.073 0.000 2.345 659 A HA 0.526 4.846 4.320 -0.001 0.000 0.225 659 A C 1.011 178.687 177.584 0.154 0.000 1.243 659 A CA -0.013 52.040 52.037 0.026 0.000 0.875 659 A CB -0.608 18.440 19.000 0.079 0.000 0.929 659 A HN 0.183 nan 8.150 nan 0.000 0.502 660 A N -0.359 122.551 122.820 0.151 0.000 2.310 660 A HA 0.536 4.856 4.320 -0.001 0.000 0.299 660 A C 0.293 178.036 177.584 0.264 0.000 1.147 660 A CA -0.335 51.869 52.037 0.279 0.000 0.818 660 A CB 0.507 19.769 19.000 0.436 0.000 1.096 660 A HN 0.259 nan 8.150 nan 0.000 0.495 661 D N 0.545 121.108 120.400 0.272 0.000 2.431 661 D HA 0.114 4.754 4.640 -0.001 0.000 0.235 661 D C 0.009 176.529 176.300 0.367 0.000 0.980 661 D CA 0.697 54.907 54.000 0.351 0.000 0.912 661 D CB 0.289 41.246 40.800 0.262 0.000 1.056 661 D HN 0.338 nan 8.370 nan 0.000 0.494 662 L N 1.381 122.714 121.223 0.184 0.000 2.325 662 L HA 0.286 4.626 4.340 -0.001 0.000 0.281 662 L C -0.648 176.124 176.870 -0.164 0.000 1.004 662 L CA -0.199 54.668 54.840 0.045 0.000 0.823 662 L CB 1.986 44.039 42.059 -0.011 0.000 1.236 662 L HN -0.149 nan 8.230 nan 0.000 0.415 663 S N 4.190 119.699 115.700 -0.318 0.000 2.442 663 S HA 0.339 4.809 4.470 -0.001 0.000 0.297 663 S C -0.395 173.933 174.600 -0.453 0.000 1.131 663 S CA -0.675 57.080 58.200 -0.742 0.000 1.092 663 S CB 0.776 63.399 63.200 -0.963 0.000 0.998 663 S HN 0.542 nan 8.310 nan 0.000 0.478 664 E N 4.081 124.024 120.200 -0.429 0.000 2.046 664 E HA 0.206 4.556 4.350 -0.001 0.000 0.279 664 E C -0.578 175.914 176.600 -0.179 0.000 0.989 664 E CA -0.458 55.814 56.400 -0.214 0.000 0.798 664 E CB 1.039 30.642 29.700 -0.162 0.000 1.086 664 E HN 0.597 nan 8.360 nan 0.000 0.399 665 Q N 2.839 122.593 119.800 -0.077 0.000 2.788 665 Q HA 0.272 4.612 4.340 -0.001 0.000 0.261 665 Q C 0.707 176.709 176.000 0.003 0.000 1.029 665 Q CA -0.167 55.607 55.803 -0.049 0.000 0.848 665 Q CB 0.123 28.847 28.738 -0.025 0.000 1.185 665 Q HN 0.603 nan 8.270 nan 0.000 0.482 666 I N -2.517 118.040 120.570 -0.023 0.000 3.736 666 I HA 0.344 4.514 4.170 -0.001 0.000 0.338 666 I C -0.004 176.073 176.117 -0.066 0.000 1.558 666 I CA -0.514 60.791 61.300 0.010 0.000 1.147 666 I CB 0.654 38.643 38.000 -0.019 0.000 1.275 666 I HN -0.136 nan 8.210 nan 0.000 0.454 667 S N 1.637 117.292 115.700 -0.075 0.000 2.572 667 S HA 0.156 4.626 4.470 -0.001 0.000 0.279 667 S C 0.644 175.225 174.600 -0.032 0.000 1.341 667 S CA -0.131 58.038 58.200 -0.052 0.000 1.043 667 S CB 0.633 63.836 63.200 0.004 0.000 0.887 667 S HN 0.490 nan 8.310 nan 0.000 0.516 668 T N 3.375 117.946 114.554 0.028 0.000 2.866 668 T HA 0.210 4.560 4.350 -0.001 0.000 0.293 668 T C 0.571 175.275 174.700 0.007 0.000 1.005 668 T CA -0.217 61.903 62.100 0.033 0.000 1.162 668 T CB 0.074 69.033 68.868 0.152 0.000 0.968 668 T HN 0.742 nan 8.240 nan 0.000 0.530 669 A N 2.752 125.542 122.820 -0.051 0.000 2.567 669 A HA 0.478 4.797 4.320 -0.001 0.000 0.240 669 A C 1.619 179.190 177.584 -0.022 0.000 1.053 669 A CA 0.241 52.247 52.037 -0.051 0.000 0.755 669 A CB -0.743 18.211 19.000 -0.077 0.000 0.978 669 A HN 1.733 nan 8.150 nan 0.000 0.507 670 G N 1.095 109.884 108.800 -0.018 0.000 2.179 670 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.220 670 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.220 670 G C 0.774 175.662 174.900 -0.020 0.000 0.990 670 G CA 1.005 46.095 45.100 -0.017 0.000 0.646 670 G HN 2.022 nan 8.290 nan 0.000 0.517 671 T N -2.501 112.046 114.554 -0.011 0.000 2.985 671 T HA 0.448 4.798 4.350 -0.001 0.000 0.254 671 T C 0.349 175.005 174.700 -0.072 0.000 1.021 671 T CA 0.532 62.590 62.100 -0.069 0.000 0.957 671 T CB 0.727 69.574 68.868 -0.034 0.000 1.047 671 T HN 0.274 nan 8.240 nan 0.000 0.511 672 E N 0.672 120.870 120.200 -0.003 0.000 2.171 672 E HA 0.662 5.012 4.350 -0.001 0.000 0.271 672 E C 0.523 177.102 176.600 -0.035 0.000 0.916 672 E CA -0.318 56.087 56.400 0.009 0.000 0.774 672 E CB 2.097 31.820 29.700 0.039 0.000 1.128 672 E HN 0.251 nan 8.360 nan 0.000 0.403 673 A N 2.462 125.226 122.820 -0.094 0.000 1.850 673 A HA -0.041 4.278 4.320 -0.001 0.000 0.212 673 A C 1.812 179.356 177.584 -0.067 0.000 1.208 673 A CA 1.509 53.431 52.037 -0.193 0.000 0.609 673 A CB 0.095 18.751 19.000 -0.573 0.000 0.860 673 A HN 0.512 nan 8.150 nan 0.000 0.448 674 S N -2.936 112.741 115.700 -0.038 0.000 3.316 674 S HA 0.513 4.982 4.470 -0.001 0.000 0.174 674 S C 0.558 175.166 174.600 0.013 0.000 0.734 674 S CA 1.153 59.365 58.200 0.021 0.000 0.861 674 S CB 0.324 63.561 63.200 0.061 0.000 1.009 674 S HN 2.065 nan 8.310 nan 0.000 0.728 675 G N -0.330 108.480 108.800 0.016 0.000 2.697 675 G HA2 0.062 4.021 3.960 -0.001 0.000 0.686 675 G HA3 0.062 4.021 3.960 -0.001 0.000 0.686 675 G C -0.042 174.855 174.900 -0.004 0.000 1.179 675 G CA 0.183 45.284 45.100 0.002 0.000 0.765 675 G HN 0.590 nan 8.290 nan 0.000 0.649 676 T N -0.049 114.490 114.554 -0.025 0.000 3.151 676 T HA 0.281 4.631 4.350 -0.001 0.000 0.257 676 T C 2.168 176.793 174.700 -0.126 0.000 0.872 676 T CA 1.592 63.659 62.100 -0.055 0.000 0.873 676 T CB -0.284 68.558 68.868 -0.042 0.000 1.272 676 T HN 1.594 nan 8.240 nan 0.000 0.543 677 G N 2.163 110.911 108.800 -0.087 0.000 2.464 677 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.217 677 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.217 677 G C 1.405 176.363 174.900 0.097 0.000 1.138 677 G CA 0.832 45.886 45.100 -0.076 0.000 0.793 677 G HN 0.666 nan 8.290 nan 0.000 0.539 678 N N 0.475 119.218 118.700 0.071 0.000 2.084 678 N HA -0.086 4.653 4.740 -0.001 0.000 0.190 678 N C 1.408 176.933 175.510 0.024 0.000 1.030 678 N CA 0.568 53.668 53.050 0.084 0.000 0.849 678 N CB -0.332 38.157 38.487 0.004 0.000 1.012 678 N HN 0.295 nan 8.380 nan 0.000 0.423 682 M N 0.718 120.396 119.600 0.131 0.000 2.080 682 M HA -0.190 4.289 4.480 -0.001 0.000 0.260 682 M C 2.039 178.385 176.300 0.077 0.000 1.068 682 M CA 1.948 57.298 55.300 0.083 0.000 1.109 682 M CB -0.310 32.327 32.600 0.063 0.000 1.342 682 M HN 0.378 nan 8.290 nan 0.000 0.405 683 L N 0.327 121.593 121.223 0.071 0.000 2.081 683 L HA -0.276 4.064 4.340 -0.001 0.000 0.212 683 L C 1.280 178.185 176.870 0.059 0.000 1.080 683 L CA 1.357 56.245 54.840 0.079 0.000 0.754 683 L CB -0.480 41.634 42.059 0.092 0.000 0.893 683 L HN 0.477 nan 8.230 nan 0.000 0.433 684 N N -0.385 118.338 118.700 0.038 0.000 2.235 684 N HA 0.074 4.813 4.740 -0.001 0.000 0.209 684 N C 0.757 176.292 175.510 0.042 0.000 1.122 684 N CA 0.820 53.886 53.050 0.027 0.000 0.845 684 N CB 0.859 39.340 38.487 -0.012 0.000 1.004 684 N HN 0.386 nan 8.380 nan 0.000 0.499 685 G N 0.932 109.763 108.800 0.051 0.000 2.248 685 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.252 685 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.252 685 G C -0.108 174.849 174.900 0.096 0.000 1.085 685 G CA 0.109 45.238 45.100 0.048 0.000 0.845 685 G HN 0.501 nan 8.290 nan 0.000 0.494 686 A N -0.181 122.708 122.820 0.116 0.000 2.324 686 A HA 0.880 5.199 4.320 -0.001 0.000 0.330 686 A C 0.521 178.101 177.584 -0.007 0.000 1.165 686 A CA -0.662 51.464 52.037 0.148 0.000 0.813 686 A CB 1.014 20.179 19.000 0.275 0.000 1.197 686 A HN 0.767 nan 8.150 nan 0.000 0.484 687 L N 0.835 122.009 121.223 -0.082 0.000 2.439 687 L HA 0.438 4.778 4.340 -0.001 0.000 0.261 687 L C 0.335 177.085 176.870 -0.200 0.000 1.153 687 L CA -0.266 54.438 54.840 -0.226 0.000 0.808 687 L CB 1.187 43.052 42.059 -0.323 0.000 1.126 687 L HN 0.672 nan 8.230 nan 0.000 0.460 688 T N 2.230 116.546 114.554 -0.396 0.000 2.807 688 T HA 0.483 4.832 4.350 -0.001 0.000 0.279 688 T C -0.529 174.060 174.700 -0.185 0.000 0.993 688 T CA -0.286 61.564 62.100 -0.416 0.000 0.970 688 T CB 1.639 70.070 68.868 -0.729 0.000 0.950 688 T HN 0.353 nan 8.240 nan 0.000 0.441 689 I N 2.893 123.429 120.570 -0.057 0.000 2.339 689 I HA 0.724 4.893 4.170 -0.001 0.000 0.290 689 I C 0.089 176.349 176.117 0.238 0.000 0.994 689 I CA 0.128 61.501 61.300 0.121 0.000 1.191 689 I CB 0.357 38.340 38.000 -0.028 0.000 1.343 689 I HN 0.776 nan 8.210 nan 0.000 0.458 690 G N 3.888 112.931 108.800 0.405 0.000 2.623 690 G HA2 0.488 4.448 3.960 -0.001 0.000 0.290 690 G HA3 0.488 4.448 3.960 -0.001 0.000 0.290 690 G C -1.016 173.889 174.900 0.008 0.000 1.437 690 G CA -0.475 44.786 45.100 0.267 0.000 0.798 690 G HN 0.556 nan 8.290 nan 0.000 0.488 691 T N -1.913 112.517 114.554 -0.207 0.000 2.918 691 T HA 0.500 4.849 4.350 -0.001 0.000 0.283 691 T C 0.537 175.147 174.700 -0.151 0.000 1.001 691 T CA -0.609 61.272 62.100 -0.365 0.000 1.041 691 T CB 1.530 70.176 68.868 -0.369 0.000 1.028 691 T HN 0.387 nan 8.240 nan 0.000 0.511 692 M N 2.953 122.465 119.600 -0.146 0.000 3.254 692 M HA 0.365 4.844 4.480 -0.001 0.000 0.257 692 M C -0.869 175.388 176.300 -0.072 0.000 1.490 692 M CA -0.381 54.867 55.300 -0.087 0.000 1.620 692 M CB -2.029 30.525 32.600 -0.077 0.000 1.157 692 M HN 0.836 nan 8.290 nan 0.000 0.541 693 D N 1.493 121.859 120.400 -0.057 0.000 2.803 693 D HA 0.611 5.250 4.640 -0.001 0.000 0.218 693 D C 0.389 176.676 176.300 -0.022 0.000 1.245 693 D CA 0.774 54.751 54.000 -0.039 0.000 0.821 693 D CB 1.064 41.836 40.800 -0.046 0.000 1.626 693 D HN 0.571 nan 8.370 nan 0.000 0.487 694 G N 2.039 110.834 108.800 -0.007 0.000 2.591 694 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.298 694 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.298 694 G C 1.110 176.014 174.900 0.007 0.000 1.195 694 G CA 0.891 45.994 45.100 0.004 0.000 0.989 694 G HN 1.338 nan 8.290 nan 0.000 0.551 695 A N -0.304 122.515 122.820 -0.002 0.000 2.132 695 A HA 0.207 4.526 4.320 -0.001 0.000 0.213 695 A C 2.049 179.590 177.584 -0.071 0.000 1.154 695 A CA 1.716 53.745 52.037 -0.014 0.000 0.753 695 A CB -0.337 18.641 19.000 -0.038 0.000 0.826 695 A HN 0.584 nan 8.150 nan 0.000 0.469 696 N N 0.606 119.276 118.700 -0.051 0.000 2.149 696 N HA -0.141 4.598 4.740 -0.001 0.000 0.188 696 N C 1.645 177.042 175.510 -0.188 0.000 1.019 696 N CA 1.553 54.564 53.050 -0.065 0.000 0.857 696 N CB -0.506 37.999 38.487 0.029 0.000 0.997 696 N HN 0.282 nan 8.380 nan 0.000 0.426 697 V N 1.557 121.405 119.914 -0.109 0.000 2.233 697 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 697 V C 2.021 178.048 176.094 -0.112 0.000 1.050 697 V CA 1.709 63.943 62.300 -0.110 0.000 1.010 697 V CB -0.500 31.292 31.823 -0.052 0.000 0.637 697 V HN 0.360 nan 8.190 nan 0.000 0.444 698 E N -0.590 119.598 120.200 -0.020 0.000 2.150 698 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 698 E C 2.190 178.888 176.600 0.164 0.000 0.985 698 E CA 1.163 57.617 56.400 0.091 0.000 0.814 698 E CB -0.208 29.625 29.700 0.221 0.000 0.752 698 E HN 0.540 nan 8.360 nan 0.000 0.466 699 M N 0.714 120.304 119.600 -0.017 0.000 2.067 699 M HA -0.164 4.316 4.480 -0.001 0.000 0.260 699 M C 2.531 178.585 176.300 -0.410 0.000 1.069 699 M CA 1.660 56.862 55.300 -0.164 0.000 1.117 699 M CB -0.254 32.144 32.600 -0.336 0.000 1.334 699 M HN 0.131 nan 8.290 nan 0.000 0.407 700 A N -0.276 122.042 122.820 -0.837 0.000 1.908 700 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 700 A C 1.936 179.333 177.584 -0.312 0.000 1.181 700 A CA 2.037 53.570 52.037 -0.841 0.000 0.627 700 A CB -0.800 17.760 19.000 -0.733 0.000 0.818 700 A HN 0.544 nan 8.150 nan 0.000 0.445 701 E N -0.562 119.525 120.200 -0.187 0.000 2.038 701 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 701 E C 2.037 178.613 176.600 -0.039 0.000 1.000 701 E CA 1.338 57.689 56.400 -0.083 0.000 0.803 701 E CB -0.052 29.621 29.700 -0.045 0.000 0.750 701 E HN 0.513 nan 8.360 nan 0.000 0.448 702 E N -0.199 120.010 120.200 0.014 0.000 2.085 702 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 702 E C 1.764 178.391 176.600 0.045 0.000 0.994 702 E CA 1.270 57.700 56.400 0.051 0.000 0.801 702 E CB -0.221 29.575 29.700 0.160 0.000 0.743 702 E HN 0.321 nan 8.360 nan 0.000 0.453 703 A N 0.051 122.893 122.820 0.038 0.000 2.095 703 A HA 0.390 4.710 4.320 -0.001 0.000 0.212 703 A C 1.043 178.642 177.584 0.026 0.000 1.162 703 A CA 1.038 53.113 52.037 0.063 0.000 0.753 703 A CB 0.109 19.201 19.000 0.153 0.000 0.840 703 A HN 0.259 nan 8.150 nan 0.000 0.468 704 G N -0.462 108.327 108.800 -0.018 0.000 2.907 704 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 704 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 704 G C 0.055 174.937 174.900 -0.030 0.000 1.115 704 G CA -0.022 45.063 45.100 -0.025 0.000 0.760 704 G HN 0.113 nan 8.290 nan 0.000 0.620 705 E N 1.272 121.446 120.200 -0.043 0.000 2.097 705 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 705 E C 2.181 178.774 176.600 -0.011 0.000 1.000 705 E CA 2.047 58.429 56.400 -0.031 0.000 0.804 705 E CB 0.030 29.713 29.700 -0.028 0.000 0.740 705 E HN 0.833 nan 8.360 nan 0.000 0.454 706 E N 0.905 121.084 120.200 -0.036 0.000 2.338 706 E HA -0.080 4.270 4.350 -0.001 0.000 0.197 706 E C 1.191 177.707 176.600 -0.140 0.000 1.007 706 E CA 0.583 56.937 56.400 -0.077 0.000 0.849 706 E CB -0.161 29.505 29.700 -0.056 0.000 0.774 706 E HN 0.184 nan 8.360 nan 0.000 0.506 707 N N -0.387 118.268 118.700 -0.075 0.000 2.270 707 N HA 0.106 4.845 4.740 -0.001 0.000 0.198 707 N C -0.696 174.764 175.510 -0.084 0.000 1.117 707 N CA 0.166 53.153 53.050 -0.105 0.000 0.845 707 N CB 0.323 38.802 38.487 -0.013 0.000 0.980 707 N HN 0.065 nan 8.380 nan 0.000 0.486 708 F N -0.367 119.395 119.950 -0.312 0.000 2.594 708 F HA 0.443 4.970 4.527 -0.001 0.000 0.335 708 F C -0.397 175.152 175.800 -0.417 0.000 1.058 708 F CA -1.187 56.654 58.000 -0.265 0.000 0.981 708 F CB 1.053 39.992 39.000 -0.102 0.000 1.289 708 F HN -0.242 nan 8.300 nan 0.000 0.490 709 F N 3.892 123.867 119.950 0.042 0.000 2.366 709 F HA 0.385 4.911 4.527 -0.001 0.000 0.357 709 F C -0.513 175.428 175.800 0.234 0.000 1.107 709 F CA -0.661 57.392 58.000 0.088 0.000 1.208 709 F CB 0.142 39.136 39.000 -0.010 0.000 1.464 709 F HN -0.064 nan 8.300 nan 0.000 0.501 710 I N 3.852 124.642 120.570 0.366 0.000 2.396 710 I HA 0.381 4.551 4.170 -0.001 0.000 0.292 710 I C -0.081 176.240 176.117 0.339 0.000 0.999 710 I CA -0.766 60.716 61.300 0.303 0.000 1.310 710 I CB 0.616 38.709 38.000 0.155 0.000 1.404 710 I HN 0.320 nan 8.210 nan 0.000 0.496 711 F N 2.239 122.259 119.950 0.115 0.000 2.692 711 F HA 0.901 5.427 4.527 -0.001 0.000 0.320 711 F C 0.192 176.035 175.800 0.071 0.000 1.123 711 F CA -0.621 57.437 58.000 0.095 0.000 0.961 711 F CB 1.033 40.101 39.000 0.113 0.000 1.383 711 F HN 0.814 nan 8.300 nan 0.000 0.483 712 G N 0.845 109.714 108.800 0.114 0.000 2.741 712 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.222 712 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.222 712 G C -0.806 174.059 174.900 -0.059 0.000 1.364 712 G CA -0.522 44.578 45.100 -0.001 0.000 0.866 712 G HN 0.956 nan 8.290 nan 0.000 0.555 713 M N 0.888 120.460 119.600 -0.048 0.000 2.249 713 M HA 0.307 4.787 4.480 -0.001 0.000 0.340 713 M C 1.233 177.488 176.300 -0.074 0.000 1.166 713 M CA -0.021 55.258 55.300 -0.035 0.000 1.115 713 M CB 0.330 32.917 32.600 -0.022 0.000 1.606 713 M HN 0.511 nan 8.290 nan 0.000 0.448 714 R N 1.586 122.058 120.500 -0.046 0.000 2.531 714 R HA 0.270 4.610 4.340 -0.001 0.000 0.260 714 R C 1.303 177.578 176.300 -0.041 0.000 1.144 714 R CA -0.526 55.544 56.100 -0.050 0.000 1.171 714 R CB -0.087 30.193 30.300 -0.033 0.000 1.199 714 R HN 0.607 nan 8.270 nan 0.000 0.594 715 V N 1.580 121.471 119.914 -0.038 0.000 2.282 715 V HA -0.265 3.854 4.120 -0.001 0.000 0.249 715 V C 2.302 178.382 176.094 -0.024 0.000 1.057 715 V CA 2.346 64.627 62.300 -0.031 0.000 1.032 715 V CB -0.685 31.120 31.823 -0.029 0.000 0.645 715 V HN 0.762 nan 8.190 nan 0.000 0.447 716 E N 0.213 120.401 120.200 -0.019 0.000 2.204 716 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 716 E C 1.493 178.092 176.600 -0.002 0.000 0.989 716 E CA 1.535 57.929 56.400 -0.010 0.000 0.824 716 E CB -0.543 29.152 29.700 -0.009 0.000 0.756 716 E HN 0.608 nan 8.360 nan 0.000 0.477 717 D N 1.361 121.760 120.400 -0.001 0.000 2.144 717 D HA -0.078 4.562 4.640 -0.001 0.000 0.200 717 D C 2.258 178.563 176.300 0.009 0.000 0.978 717 D CA 1.049 55.056 54.000 0.013 0.000 0.833 717 D CB -0.036 40.773 40.800 0.015 0.000 0.961 717 D HN 0.103 nan 8.370 nan 0.000 0.470 718 V N 1.795 121.701 119.914 -0.013 0.000 2.233 718 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 718 V C 1.939 178.022 176.094 -0.018 0.000 1.050 718 V CA 1.998 64.280 62.300 -0.030 0.000 1.010 718 V CB -0.620 31.175 31.823 -0.046 0.000 0.637 718 V HN 0.009 nan 8.190 nan 0.000 0.444 719 D N -0.387 120.004 120.400 -0.015 0.000 2.116 719 D HA -0.223 4.417 4.640 -0.001 0.000 0.193 719 D C 2.305 178.610 176.300 0.008 0.000 0.998 719 D CA 1.678 55.673 54.000 -0.008 0.000 0.836 719 D CB -0.318 40.475 40.800 -0.011 0.000 0.951 719 D HN 0.307 nan 8.370 nan 0.000 0.449 720 R N -0.241 120.269 120.500 0.016 0.000 2.105 720 R HA -0.108 4.231 4.340 -0.001 0.000 0.239 720 R C 2.039 178.369 176.300 0.051 0.000 1.135 720 R CA 0.784 56.903 56.100 0.031 0.000 0.967 720 R CB -0.288 30.032 30.300 0.033 0.000 0.861 720 R HN 0.151 nan 8.270 nan 0.000 0.442 721 L N 0.662 121.920 121.223 0.060 0.000 2.109 721 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 721 L C 1.453 178.382 176.870 0.098 0.000 1.086 721 L CA 1.753 56.654 54.840 0.102 0.000 0.760 721 L CB -0.297 41.831 42.059 0.115 0.000 0.910 721 L HN 0.128 nan 8.230 nan 0.000 0.437 722 D N -0.822 119.607 120.400 0.050 0.000 2.117 722 D HA -0.239 4.400 4.640 -0.001 0.000 0.197 722 D C 2.011 178.337 176.300 0.044 0.000 0.987 722 D CA 1.024 55.047 54.000 0.039 0.000 0.829 722 D CB -0.001 40.799 40.800 0.000 0.000 0.961 722 D HN 0.431 nan 8.370 nan 0.000 0.460 723 Q N 0.331 120.152 119.800 0.035 0.000 2.167 723 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 723 Q C 1.789 177.812 176.000 0.038 0.000 0.970 723 Q CA 1.080 56.901 55.803 0.030 0.000 0.855 723 Q CB 0.188 28.940 28.738 0.023 0.000 0.911 723 Q HN 0.310 nan 8.270 nan 0.000 0.438 724 R N -1.544 118.988 120.500 0.054 0.000 2.334 724 R HA 0.285 4.625 4.340 -0.001 0.000 0.212 724 R C 0.229 176.572 176.300 0.071 0.000 0.897 724 R CA 0.626 56.760 56.100 0.057 0.000 1.056 724 R CB 0.411 30.746 30.300 0.059 0.000 1.046 724 R HN 0.076 nan 8.270 nan 0.000 0.513 725 G N 0.934 109.788 108.800 0.091 0.000 3.322 725 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.686 725 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.686 725 G C -1.364 173.640 174.900 0.174 0.000 1.015 725 G CA -0.363 44.803 45.100 0.109 0.000 0.826 725 G HN 0.305 nan 8.290 nan 0.000 0.538 726 Y N 3.152 123.489 120.300 0.062 0.000 2.393 726 Y HA 0.557 5.106 4.550 -0.001 0.000 0.338 726 Y C 0.495 176.460 175.900 0.109 0.000 1.029 726 Y CA -0.663 57.496 58.100 0.098 0.000 1.239 726 Y CB 0.947 39.446 38.460 0.064 0.000 1.170 726 Y HN 0.627 nan 8.280 nan 0.000 0.515 727 N N 4.766 123.298 118.700 -0.280 0.000 2.524 727 N HA 0.423 5.163 4.740 -0.001 0.000 0.261 727 N C 0.273 175.563 175.510 -0.367 0.000 0.998 727 N CA 0.114 52.984 53.050 -0.300 0.000 0.915 727 N CB 1.110 39.551 38.487 -0.077 0.000 1.187 727 N HN 0.856 nan 8.380 nan 0.000 0.507 728 A N 2.575 125.060 122.820 -0.558 0.000 2.024 728 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 728 A C 1.979 179.735 177.584 0.287 0.000 1.164 728 A CA 1.347 53.297 52.037 -0.145 0.000 0.643 728 A CB -0.372 18.451 19.000 -0.296 0.000 0.806 728 A HN 0.760 nan 8.150 nan 0.000 0.451 729 Q N 0.393 120.264 119.800 0.117 0.000 2.226 729 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 729 Q C 1.727 177.829 176.000 0.170 0.000 0.975 729 Q CA 1.987 57.880 55.803 0.150 0.000 0.866 729 Q CB -0.347 28.428 28.738 0.063 0.000 0.915 729 Q HN 0.770 nan 8.270 nan 0.000 0.440 730 E N -1.087 119.167 120.200 0.090 0.000 2.077 730 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 730 E C 1.740 178.295 176.600 -0.075 0.000 0.989 730 E CA 1.337 57.709 56.400 -0.047 0.000 0.800 730 E CB -0.261 29.321 29.700 -0.198 0.000 0.746 730 E HN 0.539 nan 8.360 nan 0.000 0.452 731 Y N -0.458 119.923 120.300 0.135 0.000 2.263 731 Y HA -0.207 4.343 4.550 -0.001 0.000 0.292 731 Y C 2.263 178.169 175.900 0.010 0.000 1.130 731 Y CA 1.157 59.320 58.100 0.105 0.000 1.179 731 Y CB -0.533 38.042 38.460 0.191 0.000 0.998 731 Y HN 0.121 nan 8.280 nan 0.000 0.532 732 Y N 1.266 121.614 120.300 0.079 0.000 2.165 732 Y HA -0.278 4.271 4.550 -0.001 0.000 0.286 732 Y C 1.822 177.698 175.900 -0.040 0.000 1.155 732 Y CA 1.826 59.893 58.100 -0.054 0.000 1.164 732 Y CB -0.249 38.240 38.460 0.050 0.000 0.978 732 Y HN 0.083 nan 8.280 nan 0.000 0.513 733 D N -0.292 120.182 120.400 0.122 0.000 2.224 733 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 733 D C 1.847 178.121 176.300 -0.043 0.000 0.965 733 D CA 1.352 55.374 54.000 0.037 0.000 0.852 733 D CB -0.137 40.710 40.800 0.078 0.000 0.947 733 D HN 0.624 nan 8.370 nan 0.000 0.494 734 R N 0.019 120.493 120.500 -0.044 0.000 2.365 734 R HA 0.258 4.597 4.340 -0.001 0.000 0.223 734 R C 0.338 176.616 176.300 -0.038 0.000 0.899 734 R CA 0.013 56.089 56.100 -0.040 0.000 1.059 734 R CB 0.279 30.558 30.300 -0.036 0.000 1.086 734 R HN 0.005 nan 8.270 nan 0.000 0.522 735 I N 2.132 122.660 120.570 -0.070 0.000 2.464 735 I HA 0.322 4.492 4.170 -0.001 0.000 0.277 735 I C -2.108 173.915 176.117 -0.157 0.000 1.040 735 I CA -2.693 58.570 61.300 -0.063 0.000 1.153 735 I CB 2.164 40.160 38.000 -0.006 0.000 1.274 735 I HN -0.205 nan 8.210 nan 0.000 0.469 736 P HA -0.117 nan 4.420 nan 0.000 0.217 736 P C 1.211 178.414 177.300 -0.160 0.000 1.150 736 P CA 1.175 64.181 63.100 -0.157 0.000 0.832 736 P CB 0.309 31.949 31.700 -0.099 0.000 0.787 737 E N -0.775 119.367 120.200 -0.098 0.000 2.153 737 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 737 E C 1.832 178.338 176.600 -0.157 0.000 0.988 737 E CA 0.768 57.125 56.400 -0.072 0.000 0.811 737 E CB -0.552 29.167 29.700 0.032 0.000 0.746 737 E HN 0.163 nan 8.360 nan 0.000 0.466 738 L N 1.154 122.200 121.223 -0.295 0.000 2.072 738 L HA -0.103 4.237 4.340 -0.001 0.000 0.205 738 L C 2.235 178.851 176.870 -0.424 0.000 1.079 738 L CA 1.515 56.032 54.840 -0.538 0.000 0.752 738 L CB -0.181 41.400 42.059 -0.797 0.000 0.906 738 L HN -0.108 nan 8.230 nan 0.000 0.436 739 R N -0.826 119.388 120.500 -0.477 0.000 2.091 739 R HA -0.222 4.118 4.340 -0.001 0.000 0.238 739 R C 2.333 178.492 176.300 -0.236 0.000 1.136 739 R CA 1.892 57.653 56.100 -0.564 0.000 0.959 739 R CB -0.415 29.468 30.300 -0.694 0.000 0.856 739 R HN 0.572 nan 8.270 nan 0.000 0.437 740 Q N 0.638 120.321 119.800 -0.195 0.000 2.061 740 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 740 Q C 2.153 178.098 176.000 -0.092 0.000 0.984 740 Q CA 1.591 57.318 55.803 -0.127 0.000 0.846 740 Q CB -0.079 28.582 28.738 -0.127 0.000 0.902 740 Q HN 0.356 nan 8.270 nan 0.000 0.421 741 I N 0.728 121.246 120.570 -0.087 0.000 2.208 741 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 741 I C 2.206 178.347 176.117 0.039 0.000 1.097 741 I CA 0.787 62.074 61.300 -0.023 0.000 1.363 741 I CB -0.346 37.630 38.000 -0.040 0.000 1.051 741 I HN 0.273 nan 8.210 nan 0.000 0.413 742 I N 0.580 121.182 120.570 0.053 0.000 2.226 742 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 742 I C 2.553 178.758 176.117 0.146 0.000 1.100 742 I CA 1.538 62.926 61.300 0.148 0.000 1.374 742 I CB -1.234 36.942 38.000 0.294 0.000 1.057 742 I HN 0.319 nan 8.210 nan 0.000 0.413 743 E N 0.669 120.938 120.200 0.116 0.000 2.204 743 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 743 E C 2.129 178.781 176.600 0.086 0.000 0.990 743 E CA 0.957 57.416 56.400 0.098 0.000 0.821 743 E CB -0.175 29.560 29.700 0.058 0.000 0.750 743 E HN 0.626 nan 8.360 nan 0.000 0.477 744 Q N 0.131 119.960 119.800 0.048 0.000 2.083 744 Q HA 0.000 4.340 4.340 -0.001 0.000 0.198 744 Q C 2.494 178.644 176.000 0.249 0.000 0.969 744 Q CA 0.719 56.548 55.803 0.044 0.000 0.838 744 Q CB -0.023 28.596 28.738 -0.199 0.000 0.900 744 Q HN 0.242 nan 8.270 nan 0.000 0.436 745 L N 0.157 121.541 121.223 0.269 0.000 2.046 745 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 745 L C 2.443 179.487 176.870 0.289 0.000 1.077 745 L CA 0.910 55.937 54.840 0.311 0.000 0.747 745 L CB -0.523 41.644 42.059 0.180 0.000 0.896 745 L HN 0.161 nan 8.230 nan 0.000 0.432 746 S N 0.265 116.088 115.700 0.205 0.000 2.354 746 S HA -0.207 4.263 4.470 -0.001 0.000 0.219 746 S C 2.086 176.784 174.600 0.164 0.000 1.035 746 S CA 1.835 60.135 58.200 0.167 0.000 1.037 746 S CB -0.500 62.779 63.200 0.131 0.000 0.956 746 S HN 0.613 nan 8.310 nan 0.000 0.428 747 S N 0.670 116.465 115.700 0.158 0.000 2.507 747 S HA 0.209 4.679 4.470 -0.001 0.000 0.235 747 S C 1.441 176.129 174.600 0.146 0.000 0.988 747 S CA 0.934 59.217 58.200 0.138 0.000 0.944 747 S CB -0.420 62.859 63.200 0.131 0.000 0.762 747 S HN 1.072 nan 8.310 nan 0.000 0.526 748 G N 0.214 109.133 108.800 0.198 0.000 2.131 748 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.223 748 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.223 748 G C 0.192 175.194 174.900 0.169 0.000 0.990 748 G CA 0.104 45.315 45.100 0.184 0.000 0.671 748 G HN 0.503 nan 8.290 nan 0.000 0.521 749 F N 0.257 120.216 119.950 0.014 0.000 2.120 749 F HA 0.070 4.596 4.527 -0.001 0.000 0.300 749 F C 1.978 177.624 175.800 -0.256 0.000 1.095 749 F CA 2.326 60.222 58.000 -0.173 0.000 1.249 749 F CB -0.079 38.730 39.000 -0.318 0.000 0.995 749 F HN 0.193 nan 8.300 nan 0.000 0.480 750 F N -0.458 119.679 119.950 0.311 0.000 2.727 750 F HA 0.178 4.704 4.527 -0.001 0.000 0.302 750 F C 0.690 176.623 175.800 0.223 0.000 1.097 750 F CA 0.320 58.450 58.000 0.217 0.000 1.330 750 F CB -0.135 38.963 39.000 0.163 0.000 1.084 750 F HN -0.050 nan 8.300 nan 0.000 0.578 751 S N -1.756 114.126 115.700 0.303 0.000 2.564 751 S HA 0.310 4.779 4.470 -0.001 0.000 0.141 751 S C -2.471 172.163 174.600 0.057 0.000 1.474 751 S CA -0.987 57.309 58.200 0.161 0.000 1.236 751 S CB 0.889 64.138 63.200 0.082 0.000 1.481 751 S HN -0.171 nan 8.310 nan 0.000 0.397 752 P HA 0.007 nan 4.420 nan 0.000 0.218 752 P C 1.212 178.506 177.300 -0.011 0.000 1.149 752 P CA 0.974 64.058 63.100 -0.026 0.000 0.817 752 P CB 0.162 31.818 31.700 -0.073 0.000 0.785 753 K N -0.503 119.893 120.400 -0.007 0.000 2.057 753 K HA -0.057 4.263 4.320 -0.001 0.000 0.206 753 K C 0.776 177.377 176.600 0.001 0.000 1.050 753 K CA 1.203 57.488 56.287 -0.003 0.000 0.935 753 K CB -0.391 32.110 32.500 0.002 0.000 0.715 753 K HN 0.261 nan 8.250 nan 0.000 0.439 754 Q N -0.429 119.369 119.800 -0.004 0.000 2.607 754 Q HA 0.219 4.559 4.340 -0.001 0.000 0.247 754 Q C -2.266 173.724 176.000 -0.017 0.000 1.033 754 Q CA -1.619 54.176 55.803 -0.013 0.000 0.769 754 Q CB 1.632 30.356 28.738 -0.022 0.000 1.169 754 Q HN -0.064 nan 8.270 nan 0.000 0.508 755 P HA -0.169 nan 4.420 nan 0.000 0.216 755 P C -0.192 177.138 177.300 0.050 0.000 1.150 755 P CA 1.239 64.366 63.100 0.044 0.000 0.837 755 P CB 0.316 32.042 31.700 0.045 0.000 0.786 756 D N -1.821 118.592 120.400 0.022 0.000 2.325 756 D HA 0.024 4.663 4.640 -0.001 0.000 0.225 756 D C 1.444 177.734 176.300 -0.016 0.000 1.096 756 D CA -0.099 53.919 54.000 0.030 0.000 0.844 756 D CB -0.644 40.175 40.800 0.033 0.000 0.925 756 D HN -0.016 nan 8.370 nan 0.000 0.513 757 L N -0.353 120.792 121.223 -0.131 0.000 2.079 757 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 757 L C 0.835 177.475 176.870 -0.383 0.000 1.081 757 L CA 1.734 56.372 54.840 -0.337 0.000 0.752 757 L CB -0.216 41.453 42.059 -0.651 0.000 0.896 757 L HN 0.001 nan 8.230 nan 0.000 0.433 758 F N -1.279 118.721 119.950 0.083 0.000 2.639 758 F HA 0.204 4.730 4.527 -0.001 0.000 0.300 758 F C 1.881 177.718 175.800 0.062 0.000 1.109 758 F CA -0.399 57.637 58.000 0.060 0.000 1.335 758 F CB -0.632 38.396 39.000 0.046 0.000 1.014 758 F HN -0.105 nan 8.300 nan 0.000 0.537 759 K N 0.666 121.168 120.400 0.170 0.000 2.089 759 K HA -0.228 4.092 4.320 -0.001 0.000 0.210 759 K C 1.201 177.879 176.600 0.129 0.000 1.048 759 K CA 1.934 58.300 56.287 0.131 0.000 0.926 759 K CB -0.249 32.311 32.500 0.099 0.000 0.714 759 K HN 0.269 nan 8.250 nan 0.000 0.448 760 D N 0.506 120.993 120.400 0.147 0.000 2.097 760 D HA -0.075 4.564 4.640 -0.001 0.000 0.197 760 D C 1.992 178.360 176.300 0.113 0.000 0.984 760 D CA 0.707 54.799 54.000 0.153 0.000 0.826 760 D CB -0.172 40.745 40.800 0.195 0.000 0.973 760 D HN 0.160 nan 8.370 nan 0.000 0.460 761 I N 0.369 121.009 120.570 0.116 0.000 2.163 761 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 761 I C 2.346 178.464 176.117 0.003 0.000 1.085 761 I CA 0.749 62.084 61.300 0.059 0.000 1.347 761 I CB -0.344 37.703 38.000 0.078 0.000 1.044 761 I HN -0.068 nan 8.210 nan 0.000 0.408 762 V N 1.430 121.367 119.914 0.039 0.000 2.295 762 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 762 V C 2.080 178.105 176.094 -0.116 0.000 1.049 762 V CA 2.087 64.385 62.300 -0.002 0.000 1.024 762 V CB -0.837 31.019 31.823 0.055 0.000 0.648 762 V HN 0.448 nan 8.190 nan 0.000 0.447 763 N N -0.634 118.021 118.700 -0.076 0.000 2.309 763 N HA -0.108 4.631 4.740 -0.001 0.000 0.182 763 N C 1.657 176.988 175.510 -0.299 0.000 1.018 763 N CA 1.079 54.059 53.050 -0.116 0.000 0.876 763 N CB -0.365 38.187 38.487 0.108 0.000 0.972 763 N HN 0.354 nan 8.380 nan 0.000 0.434 764 M N 0.056 119.449 119.600 -0.344 0.000 2.123 764 M HA -0.019 4.460 4.480 -0.001 0.000 0.263 764 M C 1.259 177.264 176.300 -0.492 0.000 1.069 764 M CA 1.118 56.009 55.300 -0.682 0.000 1.133 764 M CB -0.422 32.010 32.600 -0.281 0.000 1.356 764 M HN 0.001 nan 8.290 nan 0.000 0.415 765 L N 0.732 121.743 121.223 -0.353 0.000 2.127 765 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 765 L C 2.391 178.877 176.870 -0.639 0.000 1.089 765 L CA 1.625 56.180 54.840 -0.476 0.000 0.757 765 L CB -0.915 40.922 42.059 -0.370 0.000 0.899 765 L HN 0.379 nan 8.230 nan 0.000 0.434 766 M N -2.534 116.750 119.600 -0.527 0.000 2.466 766 M HA -0.004 4.476 4.480 -0.001 0.000 0.265 766 M C 1.509 177.530 176.300 -0.465 0.000 1.122 766 M CA 1.000 55.960 55.300 -0.567 0.000 1.157 766 M CB -0.310 31.841 32.600 -0.748 0.000 1.352 766 M HN 0.296 nan 8.290 nan 0.000 0.464 767 H N -1.664 117.303 119.070 -0.173 0.000 3.205 767 H HA 0.194 4.750 4.556 -0.001 0.000 0.252 767 H C 0.027 175.390 175.328 0.057 0.000 1.015 767 H CA 0.637 56.661 56.048 -0.041 0.000 1.192 767 H CB 0.230 30.036 29.762 0.073 0.000 1.474 767 H HN 0.559 nan 8.280 nan 0.000 0.484 768 H N -1.595 117.525 119.070 0.083 0.000 2.946 768 H HA 0.300 4.855 4.556 -0.001 0.000 0.217 768 H C -1.385 173.978 175.328 0.058 0.000 1.393 768 H CA -0.669 55.423 56.048 0.073 0.000 1.306 768 H CB -0.116 29.691 29.762 0.074 0.000 2.062 768 H HN -0.121 nan 8.280 nan 0.000 0.520 769 D N 1.200 121.627 120.400 0.045 0.000 2.428 769 D HA 0.174 4.813 4.640 -0.001 0.000 0.221 769 D C 0.871 177.161 176.300 -0.018 0.000 1.123 769 D CA -0.611 53.410 54.000 0.036 0.000 0.869 769 D CB 0.819 41.618 40.800 -0.002 0.000 1.032 769 D HN 0.445 nan 8.370 nan 0.000 0.506 770 R N 2.112 122.514 120.500 -0.163 0.000 2.293 770 R HA -0.038 4.301 4.340 -0.001 0.000 0.219 770 R C 0.492 176.288 176.300 -0.841 0.000 1.091 770 R CA 1.042 56.803 56.100 -0.566 0.000 1.004 770 R CB 0.019 29.799 30.300 -0.866 0.000 0.865 770 R HN 0.432 nan 8.270 nan 0.000 0.469 771 F N -0.362 119.558 119.950 -0.050 0.000 2.729 771 F HA 0.289 4.816 4.527 -0.001 0.000 0.315 771 F C 0.002 175.704 175.800 -0.163 0.000 1.102 771 F CA -0.694 57.263 58.000 -0.070 0.000 1.204 771 F CB 0.426 39.446 39.000 0.034 0.000 1.052 771 F HN -0.257 nan 8.300 nan 0.000 0.551 772 K N -0.155 120.114 120.400 -0.218 0.000 3.162 772 K HA -0.159 4.160 4.320 -0.001 0.000 0.268 772 K C 0.877 177.396 176.600 -0.135 0.000 1.062 772 K CA 0.225 56.230 56.287 -0.470 0.000 0.769 772 K CB -1.892 30.236 32.500 -0.621 0.000 1.274 772 K HN 0.206 nan 8.250 nan 0.000 0.478 773 V N -0.201 119.711 119.914 -0.004 0.000 2.295 773 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 773 V C 2.009 178.268 176.094 0.275 0.000 1.049 773 V CA 2.043 64.409 62.300 0.109 0.000 1.024 773 V CB -0.471 31.413 31.823 0.101 0.000 0.648 773 V HN 0.368 nan 8.190 nan 0.000 0.447 774 F N 0.870 120.839 119.950 0.031 0.000 2.216 774 F HA -0.073 4.453 4.527 -0.001 0.000 0.300 774 F C 2.411 178.031 175.800 -0.299 0.000 1.085 774 F CA 0.811 58.782 58.000 -0.049 0.000 1.326 774 F CB -1.375 37.614 39.000 -0.019 0.000 1.027 774 F HN 0.157 nan 8.300 nan 0.000 0.497 775 A N -0.746 121.938 122.820 -0.226 0.000 2.014 775 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 775 A C 1.710 179.279 177.584 -0.025 0.000 1.163 775 A CA 1.587 53.362 52.037 -0.436 0.000 0.652 775 A CB -0.433 18.419 19.000 -0.248 0.000 0.808 775 A HN 0.175 nan 8.150 nan 0.000 0.449 776 D N -2.418 118.030 120.400 0.080 0.000 2.349 776 D HA 0.072 4.711 4.640 -0.001 0.000 0.214 776 D C 1.153 177.619 176.300 0.277 0.000 1.063 776 D CA 0.016 54.136 54.000 0.200 0.000 0.847 776 D CB -0.078 40.842 40.800 0.200 0.000 0.933 776 D HN 0.557 nan 8.370 nan 0.000 0.513 777 Y N 2.050 122.438 120.300 0.147 0.000 2.097 777 Y HA -0.251 4.299 4.550 -0.001 0.000 0.282 777 Y C 2.244 178.242 175.900 0.164 0.000 1.152 777 Y CA 2.053 60.253 58.100 0.168 0.000 1.136 777 Y CB 0.012 38.536 38.460 0.107 0.000 0.975 777 Y HN -0.107 nan 8.280 nan 0.000 0.498 778 E N -0.048 120.226 120.200 0.123 0.000 2.049 778 E HA -0.248 4.101 4.350 -0.001 0.000 0.198 778 E C 2.116 178.687 176.600 -0.049 0.000 1.007 778 E CA 2.043 58.454 56.400 0.018 0.000 0.809 778 E CB -0.129 29.682 29.700 0.185 0.000 0.749 778 E HN 0.614 nan 8.360 nan 0.000 0.450 779 E N -0.753 119.495 120.200 0.079 0.000 2.216 779 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 779 E C 1.864 178.476 176.600 0.020 0.000 0.988 779 E CA 0.478 56.946 56.400 0.113 0.000 0.834 779 E CB -0.166 29.683 29.700 0.249 0.000 0.772 779 E HN 0.372 nan 8.360 nan 0.000 0.479 780 Y N 2.163 122.320 120.300 -0.238 0.000 2.097 780 Y HA -0.249 4.301 4.550 -0.001 0.000 0.282 780 Y C 2.364 177.902 175.900 -0.604 0.000 1.152 780 Y CA 1.667 59.335 58.100 -0.720 0.000 1.136 780 Y CB -0.541 37.569 38.460 -0.583 0.000 0.975 780 Y HN -0.057 nan 8.280 nan 0.000 0.498 781 V N -0.881 118.688 119.914 -0.575 0.000 2.453 781 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 781 V C 2.057 177.938 176.094 -0.356 0.000 1.048 781 V CA 1.936 63.914 62.300 -0.537 0.000 1.049 781 V CB -0.596 30.981 31.823 -0.411 0.000 0.672 781 V HN 0.258 nan 8.190 nan 0.000 0.457 782 K N 0.009 120.261 120.400 -0.247 0.000 2.097 782 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 782 K C 2.345 178.851 176.600 -0.157 0.000 1.049 782 K CA 1.615 57.817 56.287 -0.142 0.000 0.933 782 K CB -1.142 31.323 32.500 -0.059 0.000 0.717 782 K HN 0.635 nan 8.250 nan 0.000 0.442 783 C N 1.845 121.011 119.300 -0.224 0.000 2.446 783 C HA -0.067 4.392 4.460 -0.001 0.000 0.277 783 C C 2.726 177.493 174.990 -0.371 0.000 1.275 783 C CA 0.726 59.620 59.018 -0.206 0.000 1.727 783 C CB -0.550 27.067 27.740 -0.206 0.000 2.010 783 C HN 0.429 nan 8.230 nan 0.000 0.486 784 Q N 0.372 119.824 119.800 -0.579 0.000 2.170 784 Q HA -0.166 4.174 4.340 -0.001 0.000 0.203 784 Q C 1.968 177.766 176.000 -0.336 0.000 0.976 784 Q CA 1.491 56.924 55.803 -0.616 0.000 0.858 784 Q CB -0.372 27.759 28.738 -1.011 0.000 0.907 784 Q HN 0.752 nan 8.270 nan 0.000 0.433 785 E N 0.345 120.407 120.200 -0.231 0.000 2.072 785 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 785 E C 2.088 178.643 176.600 -0.074 0.000 0.985 785 E CA 0.648 56.977 56.400 -0.118 0.000 0.801 785 E CB 0.013 29.664 29.700 -0.081 0.000 0.750 785 E HN 0.256 nan 8.360 nan 0.000 0.452 786 R N 0.324 120.784 120.500 -0.068 0.000 2.120 786 R HA -0.090 4.249 4.340 -0.001 0.000 0.234 786 R C 2.391 178.712 176.300 0.035 0.000 1.123 786 R CA 0.906 57.037 56.100 0.051 0.000 0.975 786 R CB -0.261 30.137 30.300 0.162 0.000 0.866 786 R HN 0.067 nan 8.270 nan 0.000 0.446 787 V N 0.378 120.121 119.914 -0.285 0.000 2.343 787 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 787 V C 2.193 178.275 176.094 -0.020 0.000 1.051 787 V CA 1.854 63.916 62.300 -0.396 0.000 1.036 787 V CB -0.324 31.088 31.823 -0.685 0.000 0.654 787 V HN 0.274 nan 8.190 nan 0.000 0.451 788 S N -0.070 115.590 115.700 -0.066 0.000 2.368 788 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 788 S C 2.222 176.884 174.600 0.104 0.000 1.030 788 S CA 1.423 59.616 58.200 -0.011 0.000 0.999 788 S CB -0.431 62.736 63.200 -0.055 0.000 0.844 788 S HN 0.650 nan 8.310 nan 0.000 0.459 789 A N 0.989 123.875 122.820 0.109 0.000 1.902 789 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 789 A C 2.099 179.800 177.584 0.196 0.000 1.181 789 A CA 1.309 53.431 52.037 0.141 0.000 0.623 789 A CB -0.669 18.401 19.000 0.117 0.000 0.818 789 A HN 0.429 nan 8.150 nan 0.000 0.443 790 L N -2.011 119.386 121.223 0.289 0.000 2.093 790 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 790 L C 2.274 179.398 176.870 0.423 0.000 1.085 790 L CA 1.888 56.972 54.840 0.408 0.000 0.755 790 L CB -0.713 41.709 42.059 0.605 0.000 0.904 790 L HN 0.505 nan 8.230 nan 0.000 0.435 791 Y N 0.302 120.709 120.300 0.178 0.000 2.256 791 Y HA -0.297 4.252 4.550 -0.001 0.000 0.288 791 Y C 2.414 178.245 175.900 -0.116 0.000 1.155 791 Y CA 1.789 59.746 58.100 -0.238 0.000 1.203 791 Y CB -0.100 38.056 38.460 -0.508 0.000 0.980 791 Y HN 0.174 nan 8.280 nan 0.000 0.530 792 K N 0.149 120.597 120.400 0.081 0.000 2.113 792 K HA -0.244 4.075 4.320 -0.001 0.000 0.208 792 K C 0.568 177.152 176.600 -0.027 0.000 1.047 792 K CA 1.568 57.888 56.287 0.056 0.000 0.928 792 K CB -0.285 32.281 32.500 0.109 0.000 0.716 792 K HN 0.287 nan 8.250 nan 0.000 0.446 793 N N 0.310 119.013 118.700 0.005 0.000 2.699 793 N HA 0.112 4.851 4.740 -0.001 0.000 0.232 793 N C -2.372 173.144 175.510 0.011 0.000 1.027 793 N CA -1.794 51.262 53.050 0.009 0.000 0.920 793 N CB 1.137 39.655 38.487 0.050 0.000 1.148 793 N HN -0.171 nan 8.380 nan 0.000 0.509 794 P HA -0.103 nan 4.420 nan 0.000 0.221 794 P C 1.177 178.493 177.300 0.028 0.000 1.150 794 P CA 0.671 63.718 63.100 -0.088 0.000 0.800 794 P CB 0.266 31.867 31.700 -0.165 0.000 0.787 795 R N 0.073 120.585 120.500 0.020 0.000 2.061 795 R HA -0.149 4.190 4.340 -0.001 0.000 0.230 795 R C 2.080 178.415 176.300 0.059 0.000 1.140 795 R CA 1.467 57.586 56.100 0.031 0.000 0.940 795 R CB -0.479 29.832 30.300 0.018 0.000 0.839 795 R HN -0.012 nan 8.270 nan 0.000 0.429 796 E N 0.203 120.446 120.200 0.071 0.000 2.058 796 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 796 E C 1.410 178.075 176.600 0.108 0.000 0.997 796 E CA 1.065 57.511 56.400 0.077 0.000 0.801 796 E CB -0.549 29.199 29.700 0.081 0.000 0.746 796 E HN 0.451 nan 8.360 nan 0.000 0.450 797 W N 1.242 122.528 121.300 -0.023 0.000 2.317 797 W HA -0.251 4.408 4.660 -0.001 0.000 0.318 797 W C 1.696 178.205 176.519 -0.018 0.000 1.227 797 W CA 2.423 59.760 57.345 -0.013 0.000 1.269 797 W CB -0.757 28.652 29.460 -0.083 0.000 1.155 797 W HN 0.080 nan 8.180 nan 0.000 0.484 798 T N 1.137 115.795 114.554 0.173 0.000 2.788 798 T HA -0.159 4.190 4.350 -0.001 0.000 0.268 798 T C 1.890 176.570 174.700 -0.033 0.000 1.044 798 T CA 1.534 63.667 62.100 0.054 0.000 1.139 798 T CB -0.301 68.594 68.868 0.045 0.000 0.867 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.410 120.903 120.500 -0.011 0.000 2.092 799 R HA 0.067 4.406 4.340 -0.001 0.000 0.231 799 R C 2.473 178.748 176.300 -0.041 0.000 1.119 799 R CA 1.169 57.266 56.100 -0.005 0.000 0.970 799 R CB -0.396 29.913 30.300 0.015 0.000 0.864 799 R HN 0.383 nan 8.270 nan 0.000 0.440 800 M N 0.548 120.086 119.600 -0.104 0.000 2.175 800 M HA -0.136 4.343 4.480 -0.001 0.000 0.264 800 M C 1.988 178.183 176.300 -0.175 0.000 1.063 800 M CA 1.347 56.551 55.300 -0.160 0.000 1.119 800 M CB 0.142 32.591 32.600 -0.252 0.000 1.377 800 M HN -0.079 nan 8.290 nan 0.000 0.415 801 V N 0.656 120.438 119.914 -0.219 0.000 2.295 801 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 801 V C 2.232 178.292 176.094 -0.056 0.000 1.049 801 V CA 2.072 64.275 62.300 -0.162 0.000 1.024 801 V CB -0.617 31.120 31.823 -0.144 0.000 0.648 801 V HN 0.515 nan 8.190 nan 0.000 0.447 802 I N -0.505 120.051 120.570 -0.024 0.000 2.194 802 I HA -0.314 3.855 4.170 -0.001 0.000 0.246 802 I C 2.733 178.892 176.117 0.071 0.000 1.093 802 I CA 1.757 63.093 61.300 0.061 0.000 1.355 802 I CB -0.388 37.693 38.000 0.135 0.000 1.046 802 I HN 0.205 nan 8.210 nan 0.000 0.413 803 R N 0.460 120.981 120.500 0.036 0.000 2.120 803 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 803 R C 2.120 178.451 176.300 0.050 0.000 1.123 803 R CA 1.369 57.491 56.100 0.037 0.000 0.975 803 R CB -0.321 29.985 30.300 0.011 0.000 0.866 803 R HN 0.504 nan 8.270 nan 0.000 0.446 804 N N 0.300 119.020 118.700 0.034 0.000 2.109 804 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 804 N C 1.892 177.456 175.510 0.091 0.000 1.034 804 N CA 1.260 54.352 53.050 0.071 0.000 0.846 804 N CB -0.048 38.454 38.487 0.025 0.000 1.010 804 N HN 0.130 nan 8.380 nan 0.000 0.425 805 I N 1.613 122.223 120.570 0.067 0.000 2.163 805 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 805 I C 2.399 178.565 176.117 0.082 0.000 1.085 805 I CA 0.937 62.282 61.300 0.075 0.000 1.347 805 I CB -0.361 37.674 38.000 0.059 0.000 1.044 805 I HN 0.105 nan 8.210 nan 0.000 0.408 806 A N -1.013 121.857 122.820 0.083 0.000 2.125 806 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 806 A C 2.165 179.790 177.584 0.070 0.000 1.156 806 A CA 2.030 54.109 52.037 0.070 0.000 0.671 806 A CB -0.553 18.494 19.000 0.078 0.000 0.794 806 A HN 0.394 nan 8.150 nan 0.000 0.459 807 T N -1.070 113.541 114.554 0.094 0.000 3.132 807 T HA 0.143 4.492 4.350 -0.001 0.000 0.274 807 T C 1.356 176.159 174.700 0.172 0.000 1.011 807 T CA 0.652 62.814 62.100 0.104 0.000 0.899 807 T CB -0.364 68.563 68.868 0.098 0.000 1.089 807 T HN 0.586 nan 8.240 nan 0.000 0.543 808 S N -0.931 114.886 115.700 0.196 0.000 2.575 808 S HA 0.207 4.677 4.470 -0.001 0.000 0.215 808 S C 2.248 177.005 174.600 0.261 0.000 0.966 808 S CA 0.405 58.804 58.200 0.331 0.000 0.911 808 S CB -0.144 63.213 63.200 0.261 0.000 0.780 808 S HN 0.410 nan 8.310 nan 0.000 0.514 809 G N 2.789 111.653 108.800 0.107 0.000 2.469 809 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.220 809 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.220 809 G C 1.330 176.200 174.900 -0.050 0.000 1.136 809 G CA 1.064 46.191 45.100 0.045 0.000 0.759 809 G HN 0.601 nan 8.290 nan 0.000 0.562 810 K N -0.181 120.067 120.400 -0.253 0.000 2.152 810 K HA -0.071 4.249 4.320 -0.001 0.000 0.206 810 K C 1.261 177.579 176.600 -0.469 0.000 1.048 810 K CA 0.939 56.935 56.287 -0.485 0.000 0.933 810 K CB -0.248 31.742 32.500 -0.851 0.000 0.721 810 K HN 0.391 nan 8.250 nan 0.000 0.447 811 F N 0.847 120.834 119.950 0.061 0.000 2.664 811 F HA 0.204 4.731 4.527 -0.001 0.000 0.301 811 F C 0.806 176.662 175.800 0.093 0.000 1.126 811 F CA -0.454 57.591 58.000 0.075 0.000 1.373 811 F CB 0.118 39.159 39.000 0.068 0.000 1.042 811 F HN -0.159 nan 8.300 nan 0.000 0.535 812 S N 0.439 116.240 115.700 0.168 0.000 2.549 812 S HA 0.050 4.520 4.470 -0.001 0.000 0.283 812 S C 1.522 176.217 174.600 0.158 0.000 1.320 812 S CA 0.080 58.371 58.200 0.152 0.000 1.058 812 S CB 0.634 63.891 63.200 0.095 0.000 0.882 812 S HN 0.405 nan 8.310 nan 0.000 0.498 813 S N 3.047 118.864 115.700 0.195 0.000 2.522 813 S HA -0.041 4.429 4.470 -0.001 0.000 0.227 813 S C 1.008 175.674 174.600 0.110 0.000 0.986 813 S CA 0.469 58.802 58.200 0.221 0.000 0.929 813 S CB -0.236 63.174 63.200 0.350 0.000 0.769 813 S HN 0.771 nan 8.310 nan 0.000 0.529 814 D N 1.951 122.402 120.400 0.084 0.000 2.144 814 D HA -0.086 4.553 4.640 -0.001 0.000 0.199 814 D C 2.090 178.405 176.300 0.024 0.000 0.984 814 D CA 0.760 54.786 54.000 0.044 0.000 0.834 814 D CB -0.282 40.541 40.800 0.038 0.000 0.955 814 D HN 0.302 nan 8.370 nan 0.000 0.465 815 R N 0.722 121.238 120.500 0.027 0.000 2.073 815 R HA -0.063 4.276 4.340 -0.001 0.000 0.229 815 R C 1.848 178.145 176.300 -0.005 0.000 1.120 815 R CA 1.138 57.238 56.100 -0.001 0.000 0.967 815 R CB -0.603 29.683 30.300 -0.022 0.000 0.862 815 R HN 0.122 nan 8.270 nan 0.000 0.436 816 T N 2.187 116.760 114.554 0.032 0.000 2.643 816 T HA -0.104 4.245 4.350 -0.001 0.000 0.264 816 T C 1.926 176.627 174.700 0.002 0.000 1.045 816 T CA 1.286 63.414 62.100 0.047 0.000 1.155 816 T CB -0.148 68.821 68.868 0.169 0.000 0.863 816 T HN 0.080 nan 8.240 nan 0.000 0.420 817 I N 1.883 122.390 120.570 -0.105 0.000 2.335 817 I HA -0.124 4.045 4.170 -0.001 0.000 0.251 817 I C 2.864 178.957 176.117 -0.040 0.000 1.129 817 I CA 0.899 62.120 61.300 -0.131 0.000 1.402 817 I CB -1.663 36.260 38.000 -0.128 0.000 1.069 817 I HN 0.201 nan 8.210 nan 0.000 0.424 818 A N -0.011 122.794 122.820 -0.025 0.000 1.933 818 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 818 A C 2.275 179.823 177.584 -0.060 0.000 1.175 818 A CA 1.329 53.355 52.037 -0.018 0.000 0.628 818 A CB -0.471 18.522 19.000 -0.012 0.000 0.814 818 A HN 0.492 nan 8.150 nan 0.000 0.444 819 Q N -1.846 117.895 119.800 -0.099 0.000 2.049 819 Q HA -0.140 4.199 4.340 -0.001 0.000 0.198 819 Q C 1.910 177.741 176.000 -0.281 0.000 0.971 819 Q CA 1.532 57.234 55.803 -0.169 0.000 0.833 819 Q CB -0.296 28.329 28.738 -0.189 0.000 0.896 819 Q HN 0.797 nan 8.270 nan 0.000 0.434 820 Y N 0.543 120.565 120.300 -0.463 0.000 2.151 820 Y HA -0.308 4.241 4.550 -0.001 0.000 0.284 820 Y C 2.381 177.712 175.900 -0.947 0.000 1.166 820 Y CA 1.320 58.881 58.100 -0.899 0.000 1.163 820 Y CB -0.398 37.213 38.460 -1.416 0.000 0.974 820 Y HN 0.180 nan 8.280 nan 0.000 0.511 821 A N 0.029 122.673 122.820 -0.293 0.000 1.877 821 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 821 A C 2.269 179.886 177.584 0.056 0.000 1.186 821 A CA 1.848 53.941 52.037 0.094 0.000 0.620 821 A CB -0.470 18.637 19.000 0.177 0.000 0.822 821 A HN 0.395 nan 8.150 nan 0.000 0.443 822 R N -0.928 119.559 120.500 -0.022 0.000 2.080 822 R HA 0.004 4.344 4.340 -0.001 0.000 0.222 822 R C 1.917 178.201 176.300 -0.028 0.000 1.107 822 R CA 1.378 57.473 56.100 -0.009 0.000 0.980 822 R CB -0.135 30.154 30.300 -0.019 0.000 0.879 822 R HN 0.618 nan 8.270 nan 0.000 0.439 823 E N -0.363 119.783 120.200 -0.091 0.000 2.318 823 E HA 0.057 4.406 4.350 -0.001 0.000 0.193 823 E C 1.422 177.984 176.600 -0.062 0.000 0.998 823 E CA 0.600 56.949 56.400 -0.085 0.000 0.859 823 E CB 0.487 30.109 29.700 -0.130 0.000 0.812 823 E HN 0.284 nan 8.360 nan 0.000 0.492 824 I N -1.554 118.950 120.570 -0.111 0.000 3.873 824 I HA 0.022 4.192 4.170 -0.001 0.000 0.284 824 I C 1.270 177.547 176.117 0.267 0.000 1.186 824 I CA -0.100 61.205 61.300 0.008 0.000 1.362 824 I CB 0.204 38.077 38.000 -0.212 0.000 1.432 824 I HN 0.116 nan 8.210 nan 0.000 0.454 825 W N 1.530 122.925 121.300 0.160 0.000 2.576 825 W HA 0.311 4.971 4.660 -0.001 0.000 0.270 825 W C 1.545 178.101 176.519 0.061 0.000 1.255 825 W CA 0.928 58.349 57.345 0.126 0.000 1.314 825 W CB -1.029 28.495 29.460 0.107 0.000 1.101 825 W HN 0.302 nan 8.180 nan 0.000 0.595 826 G N 1.047 109.989 108.800 0.237 0.000 2.256 826 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.272 826 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.272 826 G C -0.350 174.617 174.900 0.111 0.000 1.076 826 G CA 0.197 45.372 45.100 0.126 0.000 0.882 826 G HN 0.395 nan 8.290 nan 0.000 0.497 827 V N -4.120 115.879 119.914 0.141 0.000 2.876 827 V HA 0.861 4.980 4.120 -0.001 0.000 0.312 827 V C -0.110 176.038 176.094 0.089 0.000 1.085 827 V CA -1.738 60.623 62.300 0.101 0.000 0.945 827 V CB 2.304 34.194 31.823 0.111 0.000 1.017 827 V HN 0.150 nan 8.190 nan 0.000 0.428 828 E N 3.165 123.400 120.200 0.058 0.000 2.194 828 E HA 0.445 4.795 4.350 -0.001 0.000 0.284 828 E C -2.482 174.149 176.600 0.052 0.000 1.035 828 E CA -1.581 54.848 56.400 0.048 0.000 0.836 828 E CB 1.622 31.342 29.700 0.033 0.000 1.070 828 E HN 0.642 nan 8.360 nan 0.000 0.401 829 P HA -0.007 nan 4.420 nan 0.000 0.267 829 P C -0.750 176.572 177.300 0.036 0.000 1.200 829 P CA 0.115 63.244 63.100 0.048 0.000 0.772 829 P CB 0.613 32.337 31.700 0.040 0.000 0.855 830 S N 1.389 117.110 115.700 0.035 0.000 2.649 830 S HA 0.351 4.820 4.470 -0.001 0.000 0.274 830 S C 0.148 174.762 174.600 0.023 0.000 1.176 830 S CA -0.733 57.483 58.200 0.027 0.000 0.988 830 S CB 0.852 64.070 63.200 0.030 0.000 1.071 830 S HN 0.300 nan 8.310 nan 0.000 0.478 831 R N 1.857 122.368 120.500 0.019 0.000 2.334 831 R HA 0.144 4.484 4.340 -0.001 0.000 0.216 831 R C 0.811 177.115 176.300 0.005 0.000 0.905 831 R CA -0.001 56.110 56.100 0.018 0.000 1.064 831 R CB 0.275 30.589 30.300 0.024 0.000 1.046 831 R HN 0.794 nan 8.270 nan 0.000 0.508 832 Q N 1.105 120.904 119.800 -0.001 0.000 2.392 832 Q HA 0.091 4.430 4.340 -0.001 0.000 0.262 832 Q C -0.688 175.292 176.000 -0.033 0.000 1.003 832 Q CA -0.214 55.580 55.803 -0.015 0.000 0.888 832 Q CB 0.787 29.517 28.738 -0.012 0.000 1.260 832 Q HN -0.033 nan 8.270 nan 0.000 0.435 833 R N 1.590 122.064 120.500 -0.045 0.000 2.543 833 R HA 0.160 4.499 4.340 -0.001 0.000 0.277 833 R C -0.248 175.993 176.300 -0.097 0.000 1.074 833 R CA -0.549 55.511 56.100 -0.066 0.000 1.076 833 R CB 0.201 30.463 30.300 -0.063 0.000 0.993 833 R HN 0.593 nan 8.270 nan 0.000 0.459 834 L N 5.020 126.163 121.223 -0.133 0.000 2.416 834 L HA 0.094 4.434 4.340 -0.001 0.000 0.272 834 L C -1.503 175.285 176.870 -0.136 0.000 1.161 834 L CA -1.188 53.532 54.840 -0.201 0.000 0.845 834 L CB 0.648 42.559 42.059 -0.246 0.000 1.119 834 L HN 0.460 nan 8.230 nan 0.000 0.464 835 P HA -0.225 nan 4.420 nan 0.000 0.216 835 P C -0.932 176.332 177.300 -0.060 0.000 0.860 835 P CA 2.081 65.136 63.100 -0.075 0.000 1.042 835 P CB 0.049 31.711 31.700 -0.063 0.000 0.716 836 A N -4.517 118.272 122.820 -0.051 0.000 2.499 836 A HA 0.430 4.750 4.320 -0.001 0.000 0.302 836 A C -2.832 174.745 177.584 -0.011 0.000 0.926 836 A CA -0.934 51.086 52.037 -0.028 0.000 0.584 836 A CB -1.101 17.887 19.000 -0.020 0.000 1.410 836 A HN 0.073 nan 8.150 nan 0.000 0.464 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.113 63.100 0.021 0.000 0.800 837 P CB 0.000 31.725 31.700 0.042 0.000 0.726