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 3e3o_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 KAPNDFXXXX DATA SEQUENCE XXVGGYIQAV LDRNLAENIS RVLYPXXXXX EGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSXXX XXXXXXXTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVIPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG 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 0.000 175.999 176.000 -0.002 0.000 1.003 7 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 7 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 8 E N 0.879 121.078 120.200 -0.002 0.000 2.418 8 E HA -0.112 4.240 4.350 0.004 0.000 0.197 8 E C 0.669 177.268 176.600 -0.002 0.000 1.026 8 E CA 0.972 57.371 56.400 -0.001 0.000 0.862 8 E CB 0.283 29.982 29.700 -0.001 0.000 0.799 8 E HN 0.293 nan 8.360 nan 0.000 0.518 9 K N -0.426 119.973 120.400 -0.002 0.000 2.211 9 K HA -0.052 4.271 4.320 0.004 0.000 0.203 9 K C 1.862 178.461 176.600 -0.002 0.000 1.050 9 K CA 0.683 56.968 56.287 -0.003 0.000 0.945 9 K CB 0.028 32.526 32.500 -0.003 0.000 0.732 9 K HN -0.124 nan 8.250 nan 0.000 0.451 10 R N 0.897 121.395 120.500 -0.002 0.000 2.236 10 R HA 0.084 4.426 4.340 0.004 0.000 0.208 10 R C 1.367 177.666 176.300 -0.001 0.000 1.036 10 R CA 0.951 57.050 56.100 -0.002 0.000 1.001 10 R CB 0.096 30.394 30.300 -0.003 0.000 0.896 10 R HN -0.033 nan 8.270 nan 0.000 0.464 11 K N 0.188 120.588 120.400 -0.001 0.000 2.209 11 K HA -0.132 4.190 4.320 0.004 0.000 0.204 11 K C 1.422 178.022 176.600 0.001 0.000 1.048 11 K CA 1.058 57.345 56.287 0.000 0.000 0.940 11 K CB 0.085 32.586 32.500 0.000 0.000 0.729 11 K HN 0.406 nan 8.250 nan 0.000 0.451 12 Q N 0.127 119.927 119.800 0.000 0.000 2.541 12 Q HA 0.031 4.374 4.340 0.004 0.000 0.215 12 Q C 0.132 176.133 176.000 0.001 0.000 0.977 12 Q CA 0.295 56.098 55.803 0.001 0.000 0.934 12 Q CB 0.065 28.803 28.738 -0.001 0.000 0.988 12 Q HN 0.253 nan 8.270 nan 0.000 0.521 13 I N 0.983 121.554 120.570 0.002 0.000 2.276 13 I HA 0.120 4.292 4.170 0.004 0.000 0.290 13 I C -0.166 175.955 176.117 0.006 0.000 1.109 13 I CA -0.273 61.029 61.300 0.003 0.000 1.229 13 I CB 0.790 38.792 38.000 0.002 0.000 1.452 13 I HN -0.113 nan 8.210 nan 0.000 0.497 14 S N 3.990 119.694 115.700 0.008 0.000 2.615 14 S HA 0.431 4.903 4.470 0.004 0.000 0.269 14 S C 0.072 174.680 174.600 0.014 0.000 1.161 14 S CA -0.677 57.529 58.200 0.010 0.000 0.817 14 S CB 1.840 65.044 63.200 0.008 0.000 1.131 14 S HN 0.239 nan 8.310 nan 0.000 0.467 15 V N 2.378 122.302 119.914 0.017 0.000 3.252 15 V HA 0.328 4.450 4.120 0.004 0.000 0.350 15 V C 1.681 177.785 176.094 0.018 0.000 1.329 15 V CA 0.425 62.737 62.300 0.020 0.000 1.258 15 V CB -1.533 30.307 31.823 0.028 0.000 1.208 15 V HN 0.805 nan 8.190 nan 0.000 0.462 16 R N 1.104 121.613 120.500 0.014 0.000 2.090 16 R HA 0.151 4.493 4.340 0.004 0.000 0.228 16 R C 1.228 177.538 176.300 0.017 0.000 1.110 16 R CA 1.168 57.277 56.100 0.015 0.000 0.973 16 R CB -0.228 30.079 30.300 0.011 0.000 0.869 16 R HN 0.491 nan 8.270 nan 0.000 0.440 17 G N 2.406 111.215 108.800 0.015 0.000 2.741 17 G HA2 0.482 4.444 3.960 0.004 0.000 0.336 17 G HA3 0.482 4.444 3.960 0.004 0.000 0.336 17 G C 0.004 174.912 174.900 0.014 0.000 1.022 17 G CA -0.794 44.315 45.100 0.016 0.000 1.193 17 G HN 0.265 nan 8.290 nan 0.000 0.455 18 L N 1.142 122.375 121.223 0.016 0.000 2.777 18 L HA 0.999 5.342 4.340 0.004 0.000 0.218 18 L C 1.066 177.947 176.870 0.019 0.000 1.960 18 L CA -1.058 53.783 54.840 0.001 0.000 2.783 18 L CB -0.165 41.881 42.059 -0.022 0.000 2.715 18 L HN 0.306 nan 8.230 nan 0.000 0.652 19 A N -0.830 122.005 122.820 0.025 0.000 2.336 19 A HA 0.699 5.022 4.320 0.004 0.000 0.278 19 A C 0.287 177.951 177.584 0.133 0.000 1.371 19 A CA 0.021 52.125 52.037 0.112 0.000 0.842 19 A CB -0.267 18.879 19.000 0.243 0.000 1.363 19 A HN 1.103 nan 8.150 nan 0.000 0.517 20 G N -2.440 106.445 108.800 0.143 0.000 3.288 20 G HA2 0.511 4.473 3.960 0.004 0.000 0.285 20 G HA3 0.511 4.473 3.960 0.004 0.000 0.285 20 G C -0.735 174.203 174.900 0.063 0.000 3.680 20 G CA 0.569 45.729 45.100 0.099 0.000 0.508 20 G HN 1.280 nan 8.290 nan 0.000 0.300 21 V N 1.238 121.178 119.914 0.043 0.000 4.655 21 V HA 0.232 4.354 4.120 0.004 0.000 0.145 21 V C 1.317 177.376 176.094 -0.057 0.000 1.292 21 V CA 0.695 63.012 62.300 0.028 0.000 1.119 21 V CB 0.241 32.066 31.823 0.003 0.000 1.286 21 V HN 0.485 nan 8.190 nan 0.000 0.626 22 E N 1.822 121.986 120.200 -0.060 0.000 2.381 22 E HA -0.046 4.306 4.350 0.004 0.000 0.198 22 E C -0.089 176.498 176.600 -0.022 0.000 1.204 22 E CA -0.064 56.302 56.400 -0.057 0.000 0.998 22 E CB -0.334 29.337 29.700 -0.049 0.000 1.080 22 E HN 0.295 nan 8.360 nan 0.000 0.481 23 N N 0.541 119.240 118.700 -0.001 0.000 2.555 23 N HA -0.001 4.741 4.740 0.004 0.000 0.244 23 N C 0.890 176.416 175.510 0.026 0.000 1.114 23 N CA -0.098 52.963 53.050 0.018 0.000 0.963 23 N CB 0.749 39.256 38.487 0.034 0.000 1.276 23 N HN -0.109 nan 8.380 nan 0.000 0.510 24 V N 2.452 122.376 119.914 0.016 0.000 2.277 24 V HA -0.377 3.745 4.120 0.004 0.000 0.255 24 V C 2.051 178.164 176.094 0.031 0.000 1.074 24 V CA 2.253 64.566 62.300 0.021 0.000 1.058 24 V CB -0.873 30.959 31.823 0.015 0.000 0.656 24 V HN 0.661 nan 8.190 nan 0.000 0.449 25 T N -0.440 114.131 114.554 0.029 0.000 2.597 25 T HA -0.236 4.116 4.350 0.004 0.000 0.267 25 T C 1.812 176.542 174.700 0.049 0.000 1.053 25 T CA 1.888 64.007 62.100 0.032 0.000 1.165 25 T CB -0.327 68.557 68.868 0.027 0.000 0.863 25 T HN 0.549 nan 8.240 nan 0.000 0.427 26 E N 0.987 121.224 120.200 0.062 0.000 2.152 26 E HA 0.057 4.410 4.350 0.004 0.000 0.192 26 E C 2.363 179.037 176.600 0.123 0.000 0.983 26 E CA 0.459 56.911 56.400 0.086 0.000 0.818 26 E CB -0.492 29.266 29.700 0.096 0.000 0.758 26 E HN 0.472 nan 8.360 nan 0.000 0.467 27 L N 0.810 122.108 121.223 0.126 0.000 2.083 27 L HA -0.164 4.179 4.340 0.004 0.000 0.209 27 L C 2.434 179.403 176.870 0.166 0.000 1.083 27 L CA 1.165 56.104 54.840 0.165 0.000 0.752 27 L CB -0.297 41.834 42.059 0.121 0.000 0.899 27 L HN 0.081 nan 8.230 nan 0.000 0.433 28 K N 0.329 120.790 120.400 0.101 0.000 2.001 28 K HA -0.235 4.088 4.320 0.004 0.000 0.208 28 K C 2.119 178.804 176.600 0.141 0.000 1.048 28 K CA 1.380 57.717 56.287 0.083 0.000 0.932 28 K CB -0.216 32.295 32.500 0.018 0.000 0.715 28 K HN 0.167 nan 8.250 nan 0.000 0.437 29 K N 1.145 121.604 120.400 0.099 0.000 2.074 29 K HA -0.186 4.137 4.320 0.004 0.000 0.209 29 K C 1.647 178.302 176.600 0.092 0.000 1.048 29 K CA 1.671 58.005 56.287 0.079 0.000 0.926 29 K CB -0.018 32.513 32.500 0.052 0.000 0.713 29 K HN 0.097 nan 8.250 nan 0.000 0.444 30 N N -0.048 118.731 118.700 0.132 0.000 2.354 30 N HA -0.117 4.625 4.740 0.004 0.000 0.179 30 N C 1.559 177.192 175.510 0.205 0.000 1.021 30 N CA 0.765 53.891 53.050 0.127 0.000 0.887 30 N CB -0.240 38.343 38.487 0.160 0.000 0.974 30 N HN 0.212 nan 8.380 nan 0.000 0.437 31 F N 2.517 122.534 119.950 0.111 0.000 2.134 31 F HA -0.039 4.490 4.527 0.004 0.000 0.299 31 F C 1.997 177.849 175.800 0.086 0.000 1.097 31 F CA 1.173 59.246 58.000 0.123 0.000 1.264 31 F CB -0.182 38.873 39.000 0.091 0.000 1.001 31 F HN -0.032 nan 8.300 nan 0.000 0.479 32 N N 0.571 119.453 118.700 0.303 0.000 2.058 32 N HA -0.172 4.570 4.740 0.004 0.000 0.191 32 N C 2.054 177.556 175.510 -0.013 0.000 1.037 32 N CA 1.242 54.412 53.050 0.200 0.000 0.848 32 N CB -0.406 38.182 38.487 0.170 0.000 1.021 32 N HN 0.325 nan 8.380 nan 0.000 0.422 33 R N 0.328 120.734 120.500 -0.157 0.000 2.162 33 R HA -0.208 4.135 4.340 0.004 0.000 0.245 33 R C 2.040 178.132 176.300 -0.347 0.000 1.129 33 R CA 1.894 57.779 56.100 -0.357 0.000 0.940 33 R CB -0.660 29.452 30.300 -0.313 0.000 0.875 33 R HN 0.515 nan 8.270 nan 0.000 0.437 34 H N -0.453 118.506 119.070 -0.186 0.000 2.326 34 H HA -0.092 4.467 4.556 0.004 0.000 0.301 34 H C 2.002 177.138 175.328 -0.321 0.000 1.081 34 H CA 1.386 57.281 56.048 -0.254 0.000 1.334 34 H CB -0.060 29.546 29.762 -0.260 0.000 1.385 34 H HN 0.086 nan 8.280 nan 0.000 0.504 35 L N 0.160 121.205 121.223 -0.297 0.000 2.012 35 L HA -0.240 4.103 4.340 0.004 0.000 0.210 35 L C 1.834 178.474 176.870 -0.383 0.000 1.073 35 L CA 1.905 56.505 54.840 -0.400 0.000 0.748 35 L CB -0.279 41.468 42.059 -0.519 0.000 0.891 35 L HN 0.318 nan 8.230 nan 0.000 0.431 36 H N -2.224 116.709 119.070 -0.227 0.000 2.317 36 H HA -0.022 4.537 4.556 0.004 0.000 0.304 36 H C 1.636 176.949 175.328 -0.026 0.000 1.067 36 H CA 2.063 57.986 56.048 -0.208 0.000 1.352 36 H CB -0.120 29.398 29.762 -0.406 0.000 1.398 36 H HN 0.248 nan 8.280 nan 0.000 0.510 37 F N -0.518 119.429 119.950 -0.003 0.000 2.446 37 F HA 0.077 4.606 4.527 0.004 0.000 0.292 37 F C 2.186 177.921 175.800 -0.109 0.000 1.096 37 F CA 0.735 58.698 58.000 -0.062 0.000 1.438 37 F CB -0.594 38.353 39.000 -0.090 0.000 1.107 37 F HN 0.047 nan 8.300 nan 0.000 0.546 38 T N -0.218 114.353 114.554 0.027 0.000 3.010 38 T HA 0.060 4.412 4.350 0.004 0.000 0.252 38 T C 1.765 176.373 174.700 -0.154 0.000 1.047 38 T CA 0.681 62.721 62.100 -0.100 0.000 1.140 38 T CB 0.013 68.769 68.868 -0.187 0.000 0.885 38 T HN -0.058 nan 8.240 nan 0.000 0.464 39 L N 0.776 121.912 121.223 -0.145 0.000 2.513 39 L HA 0.317 4.660 4.340 0.004 0.000 0.222 39 L C 0.821 177.636 176.870 -0.092 0.000 1.096 39 L CA 0.279 55.033 54.840 -0.145 0.000 0.857 39 L CB -0.495 41.464 42.059 -0.166 0.000 1.026 39 L HN 0.020 nan 8.230 nan 0.000 0.469 40 V N -0.133 119.755 119.914 -0.043 0.000 5.616 40 V HA -0.301 3.822 4.120 0.004 0.000 0.301 40 V C 0.659 176.733 176.094 -0.032 0.000 0.564 40 V CA 0.901 63.202 62.300 0.001 0.000 0.653 40 V CB -2.075 29.750 31.823 0.003 0.000 0.372 40 V HN 0.339 nan 8.190 nan 0.000 1.029 41 K N 0.856 121.203 120.400 -0.087 0.000 2.261 41 K HA 0.869 5.192 4.320 0.004 0.000 0.242 41 K C -0.334 176.179 176.600 -0.146 0.000 1.083 41 K CA -0.140 56.077 56.287 -0.117 0.000 0.880 41 K CB 2.124 34.515 32.500 -0.181 0.000 1.353 41 K HN 0.534 nan 8.250 nan 0.000 0.486 42 D N -2.437 117.881 120.400 -0.135 0.000 2.665 42 D HA 0.147 4.789 4.640 0.004 0.000 0.287 42 D C 0.424 176.689 176.300 -0.058 0.000 1.266 42 D CA -0.728 53.214 54.000 -0.097 0.000 0.830 42 D CB 0.525 41.404 40.800 0.131 0.000 1.356 42 D HN 0.428 nan 8.370 nan 0.000 0.437 43 R N 0.389 120.928 120.500 0.065 0.000 2.249 43 R HA -0.061 4.281 4.340 0.004 0.000 0.230 43 R C 0.650 177.005 176.300 0.091 0.000 1.121 43 R CA 1.455 57.641 56.100 0.143 0.000 0.997 43 R CB -0.857 29.575 30.300 0.219 0.000 0.867 43 R HN 0.410 nan 8.270 nan 0.000 0.465 44 N N 0.073 118.810 118.700 0.061 0.000 2.166 44 N HA -0.119 4.623 4.740 0.004 0.000 0.186 44 N C 1.306 176.828 175.510 0.021 0.000 1.019 44 N CA 1.265 54.341 53.050 0.043 0.000 0.856 44 N CB 0.183 38.693 38.487 0.037 0.000 0.993 44 N HN 0.043 nan 8.380 nan 0.000 0.426 45 V N -0.342 119.567 119.914 -0.009 0.000 3.502 45 V HA 0.392 4.514 4.120 0.004 0.000 0.288 45 V C -0.033 176.017 176.094 -0.074 0.000 1.461 45 V CA -0.173 62.111 62.300 -0.028 0.000 1.029 45 V CB 0.189 31.997 31.823 -0.024 0.000 0.843 45 V HN 0.196 nan 8.190 nan 0.000 0.438 46 A N 0.288 123.027 122.820 -0.134 0.000 2.371 46 A HA 0.615 4.937 4.320 0.004 0.000 0.257 46 A C 0.379 177.813 177.584 -0.250 0.000 1.089 46 A CA 0.322 52.171 52.037 -0.312 0.000 0.794 46 A CB 0.332 18.926 19.000 -0.677 0.000 1.029 46 A HN 0.344 nan 8.150 nan 0.000 0.488 47 T N 2.783 117.183 114.554 -0.256 0.000 2.945 47 T HA 0.471 4.823 4.350 0.004 0.000 0.286 47 T C -1.827 172.845 174.700 -0.047 0.000 1.025 47 T CA -1.013 61.028 62.100 -0.099 0.000 1.039 47 T CB 1.502 70.328 68.868 -0.071 0.000 1.068 47 T HN 0.416 nan 8.240 nan 0.000 0.497 48 P HA -0.108 nan 4.420 nan 0.000 0.216 48 P C 1.523 178.882 177.300 0.099 0.000 1.150 48 P CA 0.887 64.100 63.100 0.188 0.000 0.837 48 P CB 0.168 31.931 31.700 0.106 0.000 0.786 49 R N 0.238 120.724 120.500 -0.024 0.000 2.091 49 R HA -0.169 4.174 4.340 0.004 0.000 0.238 49 R C 1.642 177.908 176.300 -0.058 0.000 1.136 49 R CA 2.000 58.032 56.100 -0.112 0.000 0.959 49 R CB -0.931 29.254 30.300 -0.193 0.000 0.856 49 R HN 0.064 nan 8.270 nan 0.000 0.437 50 D N -0.085 120.308 120.400 -0.012 0.000 2.104 50 D HA -0.200 4.443 4.640 0.004 0.000 0.194 50 D C 1.832 178.106 176.300 -0.043 0.000 0.994 50 D CA 1.461 55.455 54.000 -0.009 0.000 0.830 50 D CB -0.467 40.189 40.800 -0.240 0.000 0.959 50 D HN 0.320 nan 8.370 nan 0.000 0.452 51 Y N -0.190 120.141 120.300 0.052 0.000 2.274 51 Y HA -0.199 4.353 4.550 0.004 0.000 0.290 51 Y C 2.247 178.206 175.900 0.099 0.000 1.145 51 Y CA 0.459 58.625 58.100 0.109 0.000 1.203 51 Y CB -0.868 37.722 38.460 0.217 0.000 0.984 51 Y HN 0.128 nan 8.280 nan 0.000 0.533 52 Y N -0.810 119.522 120.300 0.054 0.000 2.242 52 Y HA -0.220 4.332 4.550 0.004 0.000 0.291 52 Y C 1.691 177.493 175.900 -0.163 0.000 1.137 52 Y CA 1.136 59.181 58.100 -0.091 0.000 1.181 52 Y CB -0.841 37.459 38.460 -0.267 0.000 0.989 52 Y HN 0.003 nan 8.280 nan 0.000 0.527 53 F N 0.276 120.027 119.950 -0.331 0.000 2.206 53 F HA -0.009 4.521 4.527 0.004 0.000 0.298 53 F C 2.630 178.263 175.800 -0.279 0.000 1.090 53 F CA 1.000 58.746 58.000 -0.424 0.000 1.323 53 F CB -1.279 37.623 39.000 -0.162 0.000 1.028 53 F HN 0.174 nan 8.300 nan 0.000 0.492 54 A N 0.034 122.782 122.820 -0.120 0.000 1.877 54 A HA -0.178 4.144 4.320 0.004 0.000 0.216 54 A C 2.161 179.563 177.584 -0.303 0.000 1.186 54 A CA 1.764 53.585 52.037 -0.359 0.000 0.620 54 A CB -1.143 17.343 19.000 -0.858 0.000 0.822 54 A HN 0.335 nan 8.150 nan 0.000 0.443 55 L N -0.368 120.788 121.223 -0.111 0.000 2.056 55 L HA 0.022 4.364 4.340 0.004 0.000 0.207 55 L C 2.671 179.501 176.870 -0.066 0.000 1.078 55 L CA 2.118 57.032 54.840 0.123 0.000 0.749 55 L CB -0.851 41.389 42.059 0.302 0.000 0.901 55 L HN 0.344 nan 8.230 nan 0.000 0.433 56 A N -1.082 121.531 122.820 -0.345 0.000 1.883 56 A HA -0.308 4.014 4.320 0.004 0.000 0.217 56 A C 2.154 179.338 177.584 -0.666 0.000 1.186 56 A CA 2.150 53.824 52.037 -0.605 0.000 0.624 56 A CB -1.163 17.150 19.000 -1.145 0.000 0.822 56 A HN 0.688 nan 8.150 nan 0.000 0.444 57 H N -1.005 117.711 119.070 -0.590 0.000 2.387 57 H HA -0.062 4.496 4.556 0.004 0.000 0.299 57 H C 2.368 177.354 175.328 -0.571 0.000 1.090 57 H CA 1.979 57.600 56.048 -0.711 0.000 1.332 57 H CB -0.112 29.007 29.762 -1.071 0.000 1.386 57 H HN 0.472 nan 8.280 nan 0.000 0.516 58 T N -0.393 114.057 114.554 -0.172 0.000 2.708 58 T HA -0.138 4.214 4.350 0.004 0.000 0.266 58 T C 2.264 177.076 174.700 0.188 0.000 1.037 58 T CA 1.310 63.477 62.100 0.112 0.000 1.146 58 T CB -0.413 68.606 68.868 0.252 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.435 59 V N 1.292 121.307 119.914 0.169 0.000 2.407 59 V HA -0.143 3.980 4.120 0.004 0.000 0.248 59 V C 2.640 178.887 176.094 0.254 0.000 1.055 59 V CA 1.532 63.989 62.300 0.262 0.000 1.049 59 V CB -0.577 31.417 31.823 0.285 0.000 0.662 59 V HN 0.348 nan 8.190 nan 0.000 0.455 60 R N -0.110 120.461 120.500 0.118 0.000 2.091 60 R HA -0.197 4.145 4.340 0.004 0.000 0.238 60 R C 2.091 178.428 176.300 0.061 0.000 1.136 60 R CA 1.931 58.081 56.100 0.085 0.000 0.959 60 R CB -0.379 29.827 30.300 -0.156 0.000 0.856 60 R HN 0.492 nan 8.270 nan 0.000 0.437 61 D N -0.563 119.844 120.400 0.012 0.000 2.172 61 D HA -0.176 4.466 4.640 0.004 0.000 0.196 61 D C 1.658 177.893 176.300 -0.108 0.000 0.999 61 D CA 1.540 55.509 54.000 -0.052 0.000 0.856 61 D CB -0.213 40.518 40.800 -0.115 0.000 0.934 61 D HN 0.493 nan 8.370 nan 0.000 0.453 62 H N -0.602 118.524 119.070 0.093 0.000 2.448 62 H HA 0.176 4.734 4.556 0.004 0.000 0.292 62 H C 2.126 177.502 175.328 0.081 0.000 1.035 62 H CA 0.170 56.266 56.048 0.079 0.000 1.349 62 H CB 0.187 29.991 29.762 0.070 0.000 1.425 62 H HN 0.036 nan 8.280 nan 0.000 0.539 63 L N 0.880 122.223 121.223 0.199 0.000 2.027 63 L HA -0.139 4.203 4.340 0.004 0.000 0.206 63 L C 2.197 179.168 176.870 0.168 0.000 1.074 63 L CA 1.328 56.264 54.840 0.160 0.000 0.745 63 L CB -0.114 42.041 42.059 0.162 0.000 0.898 63 L HN 0.336 nan 8.230 nan 0.000 0.433 64 V N -3.497 116.502 119.914 0.142 0.000 2.591 64 V HA 0.015 4.137 4.120 0.004 0.000 0.249 64 V C 2.370 178.599 176.094 0.226 0.000 1.053 64 V CA 1.267 63.679 62.300 0.187 0.000 1.068 64 V CB -1.625 30.247 31.823 0.083 0.000 0.689 64 V HN 0.419 nan 8.190 nan 0.000 0.462 65 G N 1.090 109.972 108.800 0.137 0.000 2.553 65 G HA2 -0.302 3.660 3.960 0.004 0.000 0.218 65 G HA3 -0.302 3.660 3.960 0.004 0.000 0.218 65 G C 1.764 176.724 174.900 0.100 0.000 1.195 65 G CA 1.304 46.466 45.100 0.103 0.000 0.779 65 G HN 0.534 nan 8.290 nan 0.000 0.577 66 R N -1.365 119.198 120.500 0.104 0.000 2.148 66 R HA -0.055 4.287 4.340 0.004 0.000 0.227 66 R C 2.245 178.574 176.300 0.048 0.000 1.103 66 R CA 1.051 57.184 56.100 0.055 0.000 0.983 66 R CB -0.347 29.980 30.300 0.045 0.000 0.874 66 R HN 0.566 nan 8.270 nan 0.000 0.451 67 W N 1.584 122.858 121.300 -0.043 0.000 2.355 67 W HA -0.149 4.513 4.660 0.004 0.000 0.309 67 W C 1.655 178.137 176.519 -0.062 0.000 1.206 67 W CA 1.145 58.453 57.345 -0.062 0.000 1.284 67 W CB -0.072 29.369 29.460 -0.032 0.000 1.145 67 W HN -0.122 nan 8.180 nan 0.000 0.502 68 I N 1.005 121.627 120.570 0.086 0.000 2.118 68 I HA -0.332 3.840 4.170 0.004 0.000 0.241 68 I C 2.446 178.446 176.117 -0.195 0.000 1.070 68 I CA 1.685 62.945 61.300 -0.067 0.000 1.327 68 I CB -1.664 36.385 38.000 0.081 0.000 1.034 68 I HN 0.062 nan 8.210 nan 0.000 0.405 69 R N 0.511 120.937 120.500 -0.123 0.000 2.083 69 R HA -0.115 4.227 4.340 0.004 0.000 0.237 69 R C 2.230 178.408 176.300 -0.204 0.000 1.137 69 R CA 1.768 57.795 56.100 -0.121 0.000 0.951 69 R CB -1.394 28.857 30.300 -0.082 0.000 0.851 69 R HN 0.389 nan 8.270 nan 0.000 0.434 70 T N 1.772 116.125 114.554 -0.335 0.000 2.833 70 T HA -0.098 4.254 4.350 0.004 0.000 0.269 70 T C 1.757 175.981 174.700 -0.793 0.000 1.054 70 T CA 1.012 62.783 62.100 -0.548 0.000 1.135 70 T CB 0.016 68.535 68.868 -0.581 0.000 0.869 70 T HN 0.168 nan 8.240 nan 0.000 0.466 71 Q N 1.201 120.602 119.800 -0.666 0.000 2.096 71 Q HA 0.063 4.405 4.340 0.004 0.000 0.197 71 Q C 2.446 178.405 176.000 -0.068 0.000 0.964 71 Q CA 1.127 56.657 55.803 -0.455 0.000 0.838 71 Q CB -0.510 27.842 28.738 -0.645 0.000 0.906 71 Q HN 0.608 nan 8.270 nan 0.000 0.444 72 Q N -0.093 119.648 119.800 -0.099 0.000 2.045 72 Q HA -0.243 4.100 4.340 0.004 0.000 0.206 72 Q C 2.083 178.137 176.000 0.091 0.000 0.991 72 Q CA 1.880 57.694 55.803 0.018 0.000 0.851 72 Q CB -0.366 28.361 28.738 -0.020 0.000 0.911 72 Q HN 0.530 nan 8.270 nan 0.000 0.418 73 H N -0.571 118.471 119.070 -0.047 0.000 2.390 73 H HA -0.196 4.362 4.556 0.004 0.000 0.298 73 H C 1.421 176.828 175.328 0.132 0.000 1.106 73 H CA 1.723 57.775 56.048 0.006 0.000 1.297 73 H CB -0.079 29.652 29.762 -0.052 0.000 1.375 73 H HN 0.278 nan 8.280 nan 0.000 0.509 74 Y N -0.857 119.348 120.300 -0.157 0.000 2.421 74 Y HA -0.136 4.416 4.550 0.004 0.000 0.292 74 Y C 1.597 177.314 175.900 -0.305 0.000 1.136 74 Y CA 0.682 58.620 58.100 -0.269 0.000 1.255 74 Y CB -0.781 37.550 38.460 -0.216 0.000 0.991 74 Y HN 0.397 nan 8.280 nan 0.000 0.552 75 Y N -0.108 120.201 120.300 0.014 0.000 2.517 75 Y HA -0.036 4.516 4.550 0.004 0.000 0.281 75 Y C 2.057 177.923 175.900 -0.058 0.000 1.125 75 Y CA 0.345 58.431 58.100 -0.024 0.000 1.283 75 Y CB 0.215 38.663 38.460 -0.019 0.000 1.042 75 Y HN 0.003 nan 8.280 nan 0.000 0.547 76 E N 0.355 120.582 120.200 0.046 0.000 2.016 76 E HA -0.123 4.229 4.350 0.004 0.000 0.190 76 E C 1.724 178.277 176.600 -0.078 0.000 0.985 76 E CA 0.972 57.365 56.400 -0.011 0.000 0.802 76 E CB -0.251 29.444 29.700 -0.009 0.000 0.762 76 E HN 0.133 nan 8.360 nan 0.000 0.448 77 K N 1.012 121.301 120.400 -0.185 0.000 2.439 77 K HA -0.041 4.282 4.320 0.004 0.000 0.197 77 K C -0.246 176.251 176.600 -0.171 0.000 1.041 77 K CA 0.253 56.420 56.287 -0.201 0.000 0.970 77 K CB -0.464 31.830 32.500 -0.343 0.000 0.773 77 K HN 0.013 nan 8.250 nan 0.000 0.479 78 D N 0.761 121.056 120.400 -0.175 0.000 2.829 78 D HA -0.148 4.494 4.640 0.004 0.000 0.219 78 D C -2.449 173.732 176.300 -0.198 0.000 1.239 78 D CA 0.257 54.142 54.000 -0.191 0.000 0.685 78 D CB -0.139 40.576 40.800 -0.141 0.000 0.950 78 D HN 0.163 nan 8.370 nan 0.000 0.398 79 P HA 0.188 nan 4.420 nan 0.000 0.281 79 P C -0.212 176.949 177.300 -0.232 0.000 1.264 79 P CA -0.731 62.225 63.100 -0.239 0.000 0.824 79 P CB 0.663 32.170 31.700 -0.322 0.000 1.092 80 K N 1.412 121.707 120.400 -0.175 0.000 2.484 80 K HA 0.041 4.364 4.320 0.004 0.000 0.280 80 K C -0.130 176.341 176.600 -0.216 0.000 1.013 80 K CA 0.188 56.383 56.287 -0.153 0.000 1.029 80 K CB 0.184 32.629 32.500 -0.091 0.000 0.902 80 K HN 0.329 nan 8.250 nan 0.000 0.481 81 R N 3.886 124.268 120.500 -0.196 0.000 2.460 81 R HA 0.383 4.725 4.340 0.004 0.000 0.303 81 R C -0.535 175.576 176.300 -0.315 0.000 0.968 81 R CA -0.797 55.151 56.100 -0.254 0.000 0.889 81 R CB 1.308 31.505 30.300 -0.171 0.000 1.123 81 R HN 0.551 nan 8.270 nan 0.000 0.455 82 I N 3.627 123.936 120.570 -0.435 0.000 2.378 82 I HA 0.323 4.495 4.170 0.004 0.000 0.291 82 I C -1.499 174.363 176.117 -0.426 0.000 0.992 82 I CA -0.797 60.213 61.300 -0.483 0.000 1.154 82 I CB 1.166 38.702 38.000 -0.774 0.000 1.315 82 I HN 0.638 nan 8.210 nan 0.000 0.448 83 Y N 7.647 127.940 120.300 -0.012 0.000 2.345 83 Y HA 0.291 4.843 4.550 0.004 0.000 0.331 83 Y C -0.736 175.301 175.900 0.229 0.000 0.959 83 Y CA -0.549 57.667 58.100 0.193 0.000 1.204 83 Y CB 1.229 39.755 38.460 0.110 0.000 1.135 83 Y HN 0.465 nan 8.280 nan 0.000 0.477 84 Y N 4.321 124.822 120.300 0.335 0.000 2.404 84 Y HA 0.496 5.048 4.550 0.004 0.000 0.344 84 Y C -1.201 174.994 175.900 0.491 0.000 0.970 84 Y CA -0.913 57.398 58.100 0.352 0.000 1.180 84 Y CB 0.503 39.166 38.460 0.337 0.000 1.138 84 Y HN 0.516 nan 8.280 nan 0.000 0.510 85 L N 5.488 126.787 121.223 0.126 0.000 2.264 85 L HA 0.423 4.765 4.340 0.004 0.000 0.287 85 L C -0.220 176.715 176.870 0.107 0.000 1.039 85 L CA 0.198 55.178 54.840 0.234 0.000 0.829 85 L CB 1.095 43.255 42.059 0.169 0.000 1.211 85 L HN 0.546 nan 8.230 nan 0.000 0.427 86 S N 1.953 117.816 115.700 0.272 0.000 2.548 86 S HA 0.512 4.985 4.470 0.004 0.000 0.286 86 S C 0.546 175.277 174.600 0.218 0.000 1.098 86 S CA -0.511 57.722 58.200 0.055 0.000 0.930 86 S CB 1.283 64.242 63.200 -0.402 0.000 1.070 86 S HN 0.496 nan 8.310 nan 0.000 0.480 87 L N 2.678 124.023 121.223 0.204 0.000 2.270 87 L HA 0.388 4.730 4.340 0.004 0.000 0.210 87 L C 0.655 177.708 176.870 0.305 0.000 1.104 87 L CA 1.446 56.458 54.840 0.287 0.000 0.804 87 L CB -0.143 42.041 42.059 0.208 0.000 0.937 87 L HN 0.679 nan 8.230 nan 0.000 0.450 88 E N -1.608 118.639 120.200 0.079 0.000 2.207 88 E HA 0.369 4.721 4.350 0.004 0.000 0.270 88 E C -1.332 175.176 176.600 -0.155 0.000 0.927 88 E CA -0.463 55.952 56.400 0.025 0.000 0.799 88 E CB 1.551 31.178 29.700 -0.122 0.000 1.172 88 E HN -0.122 nan 8.360 nan 0.000 0.404 89 F N 2.075 122.108 119.950 0.137 0.000 2.959 89 F HA 0.131 4.660 4.527 0.004 0.000 0.379 89 F C -0.809 175.070 175.800 0.130 0.000 1.215 89 F CA -0.686 57.394 58.000 0.134 0.000 1.190 89 F CB 0.764 39.846 39.000 0.136 0.000 1.574 89 F HN 0.488 nan 8.300 nan 0.000 0.575 90 Y N 3.806 124.149 120.300 0.073 0.000 2.603 90 Y HA 0.072 4.624 4.550 0.004 0.000 0.341 90 Y C 1.353 177.251 175.900 -0.002 0.000 1.272 90 Y CA -0.329 57.769 58.100 -0.005 0.000 1.891 90 Y CB 0.022 38.464 38.460 -0.030 0.000 1.910 90 Y HN 0.563 nan 8.280 nan 0.000 0.432 91 M N 1.089 120.758 119.600 0.114 0.000 2.175 91 M HA 0.033 4.516 4.480 0.004 0.000 0.264 91 M C 1.725 177.939 176.300 -0.143 0.000 1.063 91 M CA 1.247 56.538 55.300 -0.015 0.000 1.119 91 M CB -1.021 31.554 32.600 -0.042 0.000 1.377 91 M HN 0.693 nan 8.290 nan 0.000 0.415 92 G N 0.099 108.774 108.800 -0.208 0.000 2.552 92 G HA2 -0.291 3.671 3.960 0.004 0.000 0.265 92 G HA3 -0.291 3.671 3.960 0.004 0.000 0.265 92 G C -0.039 174.740 174.900 -0.201 0.000 1.234 92 G CA -0.043 44.899 45.100 -0.262 0.000 0.944 92 G HN 0.449 nan 8.290 nan 0.000 0.568 93 R N -0.545 119.835 120.500 -0.199 0.000 2.457 93 R HA 0.591 4.934 4.340 0.004 0.000 0.284 93 R C 1.044 177.205 176.300 -0.233 0.000 1.024 93 R CA 0.205 56.214 56.100 -0.150 0.000 1.025 93 R CB 1.065 31.293 30.300 -0.119 0.000 1.063 93 R HN 0.548 nan 8.270 nan 0.000 0.493 94 T N 1.683 116.054 114.554 -0.306 0.000 3.018 94 T HA 0.059 4.411 4.350 0.004 0.000 0.246 94 T C 1.718 176.063 174.700 -0.592 0.000 1.026 94 T CA -0.166 61.541 62.100 -0.655 0.000 1.081 94 T CB 0.148 68.178 68.868 -1.397 0.000 0.970 94 T HN 0.373 nan 8.240 nan 0.000 0.475 95 L N 1.419 122.524 121.223 -0.196 0.000 1.963 95 L HA -0.273 4.069 4.340 0.004 0.000 0.220 95 L C 2.718 179.585 176.870 -0.005 0.000 1.076 95 L CA 2.213 57.112 54.840 0.098 0.000 0.772 95 L CB -0.429 41.868 42.059 0.397 0.000 0.892 95 L HN 0.349 nan 8.230 nan 0.000 0.435 96 Q N -0.326 119.459 119.800 -0.026 0.000 2.079 96 Q HA -0.245 4.098 4.340 0.004 0.000 0.200 96 Q C 1.998 177.950 176.000 -0.080 0.000 0.974 96 Q CA 1.911 57.691 55.803 -0.038 0.000 0.840 96 Q CB -0.201 28.508 28.738 -0.048 0.000 0.898 96 Q HN 0.486 nan 8.270 nan 0.000 0.430 97 N N -1.131 117.484 118.700 -0.142 0.000 2.149 97 N HA -0.159 4.583 4.740 0.004 0.000 0.188 97 N C 1.202 176.644 175.510 -0.114 0.000 1.019 97 N CA 1.837 54.798 53.050 -0.148 0.000 0.857 97 N CB 0.033 38.396 38.487 -0.207 0.000 0.997 97 N HN 0.292 nan 8.380 nan 0.000 0.426 98 T N 1.088 115.549 114.554 -0.154 0.000 2.812 98 T HA 0.004 4.356 4.350 0.004 0.000 0.264 98 T C 2.065 176.746 174.700 -0.032 0.000 1.042 98 T CA 0.819 62.851 62.100 -0.113 0.000 1.140 98 T CB -0.011 68.743 68.868 -0.191 0.000 0.870 98 T HN 0.245 nan 8.240 nan 0.000 0.445 99 M N 1.108 120.702 119.600 -0.010 0.000 2.086 99 M HA -0.104 4.378 4.480 0.004 0.000 0.261 99 M C 2.705 179.000 176.300 -0.009 0.000 1.067 99 M CA 1.495 56.799 55.300 0.008 0.000 1.116 99 M CB -0.741 31.876 32.600 0.028 0.000 1.348 99 M HN 0.287 nan 8.290 nan 0.000 0.407 100 V N -0.335 119.579 119.914 -0.001 0.000 2.307 100 V HA -0.207 3.915 4.120 0.004 0.000 0.245 100 V C 1.613 177.726 176.094 0.031 0.000 1.045 100 V CA 2.277 64.598 62.300 0.034 0.000 1.024 100 V CB -0.963 30.901 31.823 0.068 0.000 0.651 100 V HN 0.398 nan 8.190 nan 0.000 0.449 101 N N 0.439 119.158 118.700 0.031 0.000 2.364 101 N HA -0.020 4.722 4.740 0.004 0.000 0.183 101 N C 1.073 176.495 175.510 -0.147 0.000 1.022 101 N CA 1.328 54.367 53.050 -0.020 0.000 0.883 101 N CB -0.355 38.152 38.487 0.033 0.000 0.965 101 N HN 0.476 nan 8.380 nan 0.000 0.438 102 L N -0.455 120.710 121.223 -0.097 0.000 2.728 102 L HA 0.418 4.761 4.340 0.004 0.000 0.238 102 L C 0.569 177.371 176.870 -0.113 0.000 1.143 102 L CA -0.240 54.542 54.840 -0.097 0.000 0.937 102 L CB -0.541 41.495 42.059 -0.038 0.000 1.225 102 L HN 0.072 nan 8.230 nan 0.000 0.507 103 A N -0.330 122.417 122.820 -0.122 0.000 2.748 103 A HA -0.240 4.082 4.320 0.004 0.000 0.297 103 A C 1.339 178.879 177.584 -0.074 0.000 1.508 103 A CA 1.290 53.269 52.037 -0.096 0.000 0.799 103 A CB -2.001 16.930 19.000 -0.115 0.000 1.011 103 A HN 0.359 nan 8.150 nan 0.000 0.500 104 L N -1.371 119.814 121.223 -0.063 0.000 2.585 104 L HA 0.052 4.394 4.340 0.004 0.000 0.226 104 L C 2.081 178.935 176.870 -0.027 0.000 1.113 104 L CA 0.849 55.651 54.840 -0.063 0.000 0.876 104 L CB -0.129 41.884 42.059 -0.077 0.000 1.072 104 L HN 0.753 nan 8.230 nan 0.000 0.468 105 E N 1.227 121.418 120.200 -0.015 0.000 2.033 105 E HA -0.271 4.081 4.350 0.004 0.000 0.199 105 E C 1.646 178.245 176.600 -0.002 0.000 1.011 105 E CA 1.856 58.257 56.400 0.001 0.000 0.815 105 E CB 0.172 29.873 29.700 0.002 0.000 0.755 105 E HN 0.434 nan 8.360 nan 0.000 0.451 106 N N 0.345 119.038 118.700 -0.012 0.000 2.149 106 N HA -0.176 4.566 4.740 0.004 0.000 0.188 106 N C 1.538 177.040 175.510 -0.014 0.000 1.019 106 N CA 1.388 54.428 53.050 -0.016 0.000 0.857 106 N CB -0.473 38.002 38.487 -0.020 0.000 0.997 106 N HN 0.300 nan 8.380 nan 0.000 0.426 107 A N 0.278 123.089 122.820 -0.016 0.000 1.898 107 A HA -0.054 4.268 4.320 0.004 0.000 0.214 107 A C 2.620 180.206 177.584 0.004 0.000 1.183 107 A CA 0.920 52.950 52.037 -0.012 0.000 0.622 107 A CB -0.884 18.099 19.000 -0.029 0.000 0.824 107 A HN 0.404 nan 8.150 nan 0.000 0.444 108 C N -0.642 118.665 119.300 0.013 0.000 2.429 108 C HA -0.089 4.373 4.460 0.004 0.000 0.277 108 C C 2.458 177.464 174.990 0.025 0.000 1.262 108 C CA 1.270 60.309 59.018 0.035 0.000 1.733 108 C CB -1.221 26.554 27.740 0.060 0.000 2.010 108 C HN 0.795 nan 8.230 nan 0.000 0.483 109 D N 0.527 120.939 120.400 0.021 0.000 2.092 109 D HA -0.199 4.443 4.640 0.004 0.000 0.193 109 D C 2.083 178.405 176.300 0.036 0.000 0.994 109 D CA 1.808 55.821 54.000 0.021 0.000 0.828 109 D CB -0.131 40.669 40.800 0.000 0.000 0.963 109 D HN 0.448 nan 8.370 nan 0.000 0.450 110 E N -0.014 120.199 120.200 0.022 0.000 2.051 110 E HA -0.109 4.243 4.350 0.004 0.000 0.192 110 E C 1.872 178.521 176.600 0.081 0.000 0.991 110 E CA 1.440 57.871 56.400 0.052 0.000 0.799 110 E CB -0.621 29.087 29.700 0.015 0.000 0.748 110 E HN 0.320 nan 8.360 nan 0.000 0.449 111 A N -0.064 122.768 122.820 0.021 0.000 1.859 111 A HA -0.277 4.046 4.320 0.004 0.000 0.217 111 A C 2.543 180.059 177.584 -0.114 0.000 1.198 111 A CA 3.312 55.331 52.037 -0.030 0.000 0.629 111 A CB -1.668 17.320 19.000 -0.021 0.000 0.830 111 A HN 0.531 nan 8.150 nan 0.000 0.446 112 T N -3.611 110.870 114.554 -0.123 0.000 2.867 112 T HA -0.219 4.133 4.350 0.004 0.000 0.268 112 T C 1.819 176.423 174.700 -0.161 0.000 1.057 112 T CA 1.588 63.549 62.100 -0.232 0.000 1.136 112 T CB -0.600 68.183 68.868 -0.140 0.000 0.874 112 T HN 0.511 nan 8.240 nan 0.000 0.466 113 Y N 2.278 122.495 120.300 -0.139 0.000 2.145 113 Y HA -0.103 4.449 4.550 0.004 0.000 0.286 113 Y C 2.530 178.365 175.900 -0.109 0.000 1.145 113 Y CA 1.624 59.660 58.100 -0.106 0.000 1.148 113 Y CB -0.502 37.916 38.460 -0.070 0.000 0.981 113 Y HN 0.231 nan 8.280 nan 0.000 0.507 114 Q N -0.084 119.593 119.800 -0.205 0.000 2.436 114 Q HA 0.013 4.356 4.340 0.004 0.000 0.209 114 Q C 1.172 177.013 176.000 -0.266 0.000 0.965 114 Q CA 0.661 56.308 55.803 -0.260 0.000 0.910 114 Q CB 0.034 28.734 28.738 -0.062 0.000 0.980 114 Q HN 0.512 nan 8.270 nan 0.000 0.491 115 L N -0.430 120.618 121.223 -0.292 0.000 2.728 115 L HA 0.249 4.592 4.340 0.004 0.000 0.235 115 L C 0.810 177.490 176.870 -0.317 0.000 1.197 115 L CA -0.043 54.615 54.840 -0.305 0.000 0.992 115 L CB -0.105 41.693 42.059 -0.436 0.000 1.263 115 L HN 0.299 nan 8.230 nan 0.000 0.484 116 G N 0.812 109.415 108.800 -0.329 0.000 2.203 116 G HA2 -0.294 3.668 3.960 0.004 0.000 0.263 116 G HA3 -0.294 3.668 3.960 0.004 0.000 0.263 116 G C -0.043 174.702 174.900 -0.258 0.000 1.012 116 G CA 0.450 45.379 45.100 -0.286 0.000 0.749 116 G HN 0.331 nan 8.290 nan 0.000 0.512 117 L N -0.803 120.258 121.223 -0.270 0.000 2.323 117 L HA 0.746 5.089 4.340 0.004 0.000 0.265 117 L C -0.523 176.288 176.870 -0.098 0.000 1.012 117 L CA -1.161 53.549 54.840 -0.215 0.000 0.820 117 L CB 2.036 43.906 42.059 -0.316 0.000 1.334 117 L HN 0.088 nan 8.230 nan 0.000 0.427 118 D N 0.730 121.103 120.400 -0.044 0.000 2.471 118 D HA 0.280 4.923 4.640 0.004 0.000 0.245 118 D C 0.441 176.758 176.300 0.028 0.000 1.116 118 D CA -0.430 53.579 54.000 0.015 0.000 0.853 118 D CB 1.610 42.424 40.800 0.023 0.000 1.123 118 D HN 0.503 nan 8.370 nan 0.000 0.540 119 M N 2.632 122.256 119.600 0.041 0.000 2.213 119 M HA -0.095 4.387 4.480 0.004 0.000 0.263 119 M C 1.267 177.604 176.300 0.061 0.000 1.062 119 M CA 1.484 56.819 55.300 0.059 0.000 1.105 119 M CB 0.212 32.846 32.600 0.057 0.000 1.385 119 M HN 0.494 nan 8.290 nan 0.000 0.417 120 E N -0.266 119.961 120.200 0.045 0.000 2.110 120 E HA -0.251 4.101 4.350 0.004 0.000 0.193 120 E C 1.837 178.459 176.600 0.036 0.000 0.988 120 E CA 1.318 57.741 56.400 0.037 0.000 0.804 120 E CB -0.144 29.576 29.700 0.033 0.000 0.745 120 E HN 0.614 nan 8.360 nan 0.000 0.458 121 E N 0.730 120.952 120.200 0.037 0.000 2.051 121 E HA -0.180 4.173 4.350 0.004 0.000 0.192 121 E C 2.190 178.809 176.600 0.032 0.000 0.991 121 E CA 0.723 57.142 56.400 0.032 0.000 0.799 121 E CB 0.048 29.768 29.700 0.032 0.000 0.748 121 E HN 0.185 nan 8.360 nan 0.000 0.449 122 L N 0.478 121.740 121.223 0.064 0.000 2.046 122 L HA -0.171 4.172 4.340 0.004 0.000 0.208 122 L C 2.370 179.272 176.870 0.055 0.000 1.077 122 L CA 1.241 56.144 54.840 0.106 0.000 0.747 122 L CB -0.453 41.726 42.059 0.199 0.000 0.896 122 L HN 0.120 nan 8.230 nan 0.000 0.432 123 E N -0.030 120.206 120.200 0.060 0.000 2.160 123 E HA -0.205 4.147 4.350 0.004 0.000 0.195 123 E C 1.968 178.522 176.600 -0.077 0.000 0.991 123 E CA 0.860 57.275 56.400 0.025 0.000 0.810 123 E CB 0.051 29.774 29.700 0.038 0.000 0.742 123 E HN 0.378 nan 8.360 nan 0.000 0.466 124 E N 0.198 120.360 120.200 -0.063 0.000 2.427 124 E HA -0.082 4.271 4.350 0.004 0.000 0.196 124 E C 1.839 178.361 176.600 -0.131 0.000 1.028 124 E CA 0.295 56.657 56.400 -0.065 0.000 0.864 124 E CB 0.198 29.894 29.700 -0.007 0.000 0.813 124 E HN 0.333 nan 8.360 nan 0.000 0.514 125 I N 0.818 121.244 120.570 -0.240 0.000 2.353 125 I HA -0.107 4.066 4.170 0.004 0.000 0.248 125 I C 1.379 177.206 176.117 -0.483 0.000 1.119 125 I CA 0.420 61.512 61.300 -0.346 0.000 1.417 125 I CB -0.633 37.123 38.000 -0.407 0.000 1.078 125 I HN 0.117 nan 8.210 nan 0.000 0.421 126 E N 2.678 122.454 120.200 -0.706 0.000 2.452 126 E HA -0.085 4.267 4.350 0.004 0.000 0.261 126 E C -0.195 176.322 176.600 -0.139 0.000 0.987 126 E CA -0.085 55.989 56.400 -0.544 0.000 0.926 126 E CB 0.685 30.174 29.700 -0.352 0.000 0.934 126 E HN 0.105 nan 8.360 nan 0.000 0.452 127 E N 3.355 123.578 120.200 0.038 0.000 2.331 127 E HA 0.083 4.435 4.350 0.004 0.000 0.272 127 E C -0.873 175.783 176.600 0.094 0.000 1.036 127 E CA -0.275 56.203 56.400 0.130 0.000 0.864 127 E CB 0.717 30.603 29.700 0.309 0.000 1.035 127 E HN 0.474 nan 8.360 nan 0.000 0.408 128 D N 0.922 121.328 120.400 0.010 0.000 2.450 128 D HA 0.141 4.784 4.640 0.004 0.000 0.247 128 D C -0.237 175.946 176.300 -0.196 0.000 1.162 128 D CA 0.238 54.181 54.000 -0.094 0.000 0.879 128 D CB 0.481 41.204 40.800 -0.127 0.000 1.163 128 D HN 0.415 nan 8.370 nan 0.000 0.472 129 A N 2.878 125.507 122.820 -0.319 0.000 2.561 129 A HA 0.324 4.646 4.320 0.004 0.000 0.251 129 A C 1.315 178.323 177.584 -0.960 0.000 1.062 129 A CA 0.221 51.746 52.037 -0.853 0.000 0.761 129 A CB 0.074 18.749 19.000 -0.543 0.000 0.986 129 A HN 0.643 nan 8.150 nan 0.000 0.510 130 G N 1.830 109.507 108.800 -1.871 0.000 3.353 130 G HA2 0.373 4.335 3.960 0.004 0.000 0.247 130 G HA3 0.373 4.335 3.960 0.004 0.000 0.247 130 G C 0.295 174.919 174.900 -0.460 0.000 1.025 130 G CA -0.147 44.378 45.100 -0.959 0.000 1.863 130 G HN 0.533 nan 8.290 nan 0.000 0.635 131 L N 0.139 121.185 121.223 -0.296 0.000 2.766 131 L HA 0.427 4.769 4.340 0.004 0.000 0.242 131 L C 1.163 178.058 176.870 0.042 0.000 1.136 131 L CA 0.000 54.855 54.840 0.025 0.000 0.933 131 L CB 0.228 42.318 42.059 0.053 0.000 1.241 131 L HN 0.305 nan 8.230 nan 0.000 0.522 132 G N -1.557 107.150 108.800 -0.155 0.000 2.660 132 G HA2 0.345 4.307 3.960 0.004 0.000 0.290 132 G HA3 0.345 4.307 3.960 0.004 0.000 0.290 132 G C -0.202 174.123 174.900 -0.960 0.000 1.432 132 G CA -0.164 44.665 45.100 -0.451 0.000 0.807 132 G HN -0.089 nan 8.290 nan 0.000 0.485 133 N N -1.673 116.466 118.700 -0.935 0.000 2.820 133 N HA 0.375 5.118 4.740 0.004 0.000 0.236 133 N C 1.110 176.223 175.510 -0.663 0.000 1.023 133 N CA 1.287 53.892 53.050 -0.743 0.000 1.062 133 N CB 0.750 39.012 38.487 -0.376 0.000 1.582 133 N HN 0.847 nan 8.380 nan 0.000 0.485 134 G N -1.531 107.032 108.800 -0.395 0.000 3.247 134 G HA2 0.404 4.367 3.960 0.004 0.000 0.199 134 G HA3 0.404 4.367 3.960 0.004 0.000 0.199 134 G C 0.682 175.565 174.900 -0.029 0.000 1.172 134 G CA -0.014 45.019 45.100 -0.112 0.000 0.844 134 G HN 0.297 nan 8.290 nan 0.000 0.619 135 G N -0.156 108.643 108.800 -0.001 0.000 2.491 135 G HA2 -0.179 3.784 3.960 0.004 0.000 0.218 135 G HA3 -0.179 3.784 3.960 0.004 0.000 0.218 135 G C 1.728 176.580 174.900 -0.080 0.000 1.180 135 G CA 1.121 46.213 45.100 -0.013 0.000 0.774 135 G HN 0.386 nan 8.290 nan 0.000 0.562 136 L N 1.261 122.393 121.223 -0.152 0.000 2.064 136 L HA -0.156 4.186 4.340 0.004 0.000 0.216 136 L C 2.735 179.499 176.870 -0.177 0.000 1.077 136 L CA 2.652 57.345 54.840 -0.246 0.000 0.766 136 L CB -1.234 40.689 42.059 -0.226 0.000 0.890 136 L HN 0.334 nan 8.230 nan 0.000 0.435 137 G N -1.447 107.269 108.800 -0.140 0.000 2.430 137 G HA2 -0.239 3.724 3.960 0.004 0.000 0.216 137 G HA3 -0.239 3.724 3.960 0.004 0.000 0.216 137 G C 1.690 176.612 174.900 0.038 0.000 1.146 137 G CA 0.383 45.418 45.100 -0.109 0.000 0.793 137 G HN 0.239 nan 8.290 nan 0.000 0.537 138 R N 0.357 120.923 120.500 0.110 0.000 2.073 138 R HA 0.159 4.501 4.340 0.004 0.000 0.229 138 R C 2.338 178.639 176.300 0.001 0.000 1.120 138 R CA 0.719 56.909 56.100 0.150 0.000 0.967 138 R CB -1.226 29.186 30.300 0.188 0.000 0.862 138 R HN 0.319 nan 8.270 nan 0.000 0.436 139 L N 0.684 121.830 121.223 -0.130 0.000 1.990 139 L HA -0.134 4.208 4.340 0.004 0.000 0.213 139 L C 2.224 178.776 176.870 -0.529 0.000 1.072 139 L CA 2.421 57.027 54.840 -0.390 0.000 0.755 139 L CB -0.895 40.914 42.059 -0.416 0.000 0.889 139 L HN 0.272 nan 8.230 nan 0.000 0.432 140 A N -0.942 121.695 122.820 -0.306 0.000 1.948 140 A HA -0.198 4.125 4.320 0.004 0.000 0.220 140 A C 2.375 179.967 177.584 0.013 0.000 1.177 140 A CA 1.984 53.892 52.037 -0.214 0.000 0.636 140 A CB -1.066 17.732 19.000 -0.337 0.000 0.815 140 A HN 0.577 nan 8.150 nan 0.000 0.449 141 A N -1.645 121.222 122.820 0.079 0.000 1.970 141 A HA -0.034 4.288 4.320 0.004 0.000 0.216 141 A C 2.265 179.920 177.584 0.119 0.000 1.170 141 A CA 1.369 53.507 52.037 0.168 0.000 0.645 141 A CB -1.005 18.092 19.000 0.162 0.000 0.816 141 A HN 0.567 nan 8.150 nan 0.000 0.447 142 C N -1.390 117.969 119.300 0.098 0.000 2.462 142 C HA -0.017 4.446 4.460 0.004 0.000 0.278 142 C C 2.387 177.532 174.990 0.257 0.000 1.253 142 C CA 0.642 59.761 59.018 0.169 0.000 1.713 142 C CB -1.477 26.372 27.740 0.182 0.000 2.049 142 C HN 0.627 nan 8.230 nan 0.000 0.477 143 F N 1.315 121.259 119.950 -0.011 0.000 2.120 143 F HA -0.159 4.370 4.527 0.004 0.000 0.300 143 F C 2.238 178.001 175.800 -0.062 0.000 1.095 143 F CA 1.171 59.120 58.000 -0.086 0.000 1.249 143 F CB -1.578 37.237 39.000 -0.308 0.000 0.995 143 F HN 0.218 nan 8.300 nan 0.000 0.480 144 L N -0.381 120.936 121.223 0.156 0.000 2.046 144 L HA -0.256 4.086 4.340 0.004 0.000 0.208 144 L C 2.203 179.116 176.870 0.073 0.000 1.077 144 L CA 1.916 56.816 54.840 0.099 0.000 0.747 144 L CB -0.747 41.379 42.059 0.111 0.000 0.896 144 L HN 0.106 nan 8.230 nan 0.000 0.432 145 D N -0.647 119.802 120.400 0.081 0.000 2.104 145 D HA -0.182 4.460 4.640 0.004 0.000 0.194 145 D C 2.220 178.563 176.300 0.072 0.000 0.994 145 D CA 1.583 55.618 54.000 0.059 0.000 0.830 145 D CB 0.185 41.013 40.800 0.047 0.000 0.959 145 D HN 0.088 nan 8.370 nan 0.000 0.452 146 S N -0.683 115.077 115.700 0.100 0.000 2.348 146 S HA -0.159 4.314 4.470 0.004 0.000 0.221 146 S C 2.029 176.666 174.600 0.062 0.000 1.033 146 S CA 1.229 59.480 58.200 0.084 0.000 1.010 146 S CB -0.304 62.955 63.200 0.098 0.000 0.891 146 S HN 0.342 nan 8.310 nan 0.000 0.442 147 M N 0.913 120.547 119.600 0.057 0.000 2.260 147 M HA -0.155 4.327 4.480 0.004 0.000 0.261 147 M C 2.241 178.562 176.300 0.034 0.000 1.066 147 M CA 1.426 56.752 55.300 0.044 0.000 1.082 147 M CB -0.461 32.149 32.600 0.016 0.000 1.388 147 M HN 0.399 nan 8.290 nan 0.000 0.419 148 A N -0.834 122.007 122.820 0.035 0.000 1.975 148 A HA -0.054 4.269 4.320 0.004 0.000 0.215 148 A C 2.151 179.762 177.584 0.044 0.000 1.170 148 A CA 1.492 53.548 52.037 0.032 0.000 0.656 148 A CB -0.672 18.341 19.000 0.022 0.000 0.821 148 A HN 0.370 nan 8.150 nan 0.000 0.449 149 T N 0.100 114.689 114.554 0.057 0.000 2.904 149 T HA 0.074 4.426 4.350 0.004 0.000 0.267 149 T C 1.126 175.862 174.700 0.060 0.000 1.059 149 T CA 0.819 62.962 62.100 0.072 0.000 1.137 149 T CB -0.247 68.675 68.868 0.090 0.000 0.879 149 T HN 0.304 nan 8.240 nan 0.000 0.467 150 L N 1.039 122.295 121.223 0.055 0.000 2.737 150 L HA 0.308 4.650 4.340 0.004 0.000 0.236 150 L C 1.721 178.623 176.870 0.053 0.000 1.219 150 L CA -0.129 54.742 54.840 0.052 0.000 1.021 150 L CB -0.516 41.575 42.059 0.054 0.000 1.291 150 L HN 0.381 nan 8.230 nan 0.000 0.470 151 G N 0.134 108.966 108.800 0.053 0.000 2.216 151 G HA2 -0.326 3.637 3.960 0.004 0.000 0.269 151 G HA3 -0.326 3.637 3.960 0.004 0.000 0.269 151 G C 0.531 175.472 174.900 0.070 0.000 0.981 151 G CA 0.205 45.345 45.100 0.067 0.000 0.658 151 G HN 0.339 nan 8.290 nan 0.000 0.539 152 L N 0.162 121.410 121.223 0.040 0.000 2.483 152 L HA 0.365 4.707 4.340 0.004 0.000 0.276 152 L C 1.317 178.138 176.870 -0.081 0.000 1.213 152 L CA 0.284 55.113 54.840 -0.018 0.000 0.843 152 L CB 0.697 42.759 42.059 0.006 0.000 1.107 152 L HN 0.281 nan 8.230 nan 0.000 0.487 153 A N 3.303 125.959 122.820 -0.273 0.000 3.015 153 A HA 0.599 4.922 4.320 0.004 0.000 0.293 153 A C 0.183 177.531 177.584 -0.393 0.000 1.572 153 A CA -0.235 51.478 52.037 -0.540 0.000 1.274 153 A CB -0.324 18.070 19.000 -1.010 0.000 1.156 153 A HN 0.713 nan 8.150 nan 0.000 0.562 154 A N 1.413 124.042 122.820 -0.319 0.000 2.340 154 A HA 0.817 5.140 4.320 0.004 0.000 0.331 154 A C -1.104 176.222 177.584 -0.429 0.000 1.140 154 A CA -0.451 51.404 52.037 -0.304 0.000 0.801 154 A CB 0.796 19.683 19.000 -0.188 0.000 1.234 154 A HN 0.624 nan 8.150 nan 0.000 0.469 155 Y N 0.096 120.315 120.300 -0.134 0.000 2.391 155 Y HA 0.543 5.095 4.550 0.004 0.000 0.341 155 Y C 0.829 176.812 175.900 0.138 0.000 0.965 155 Y CA -0.476 57.619 58.100 -0.007 0.000 1.067 155 Y CB 2.475 40.993 38.460 0.096 0.000 1.199 155 Y HN 0.835 nan 8.280 nan 0.000 0.450 156 G N 2.126 111.015 108.800 0.148 0.000 2.322 156 G HA2 0.442 4.404 3.960 0.004 0.000 0.309 156 G HA3 0.442 4.404 3.960 0.004 0.000 0.309 156 G C -1.802 173.095 174.900 -0.004 0.000 1.121 156 G CA -0.266 44.939 45.100 0.174 0.000 0.886 156 G HN 0.516 nan 8.290 nan 0.000 0.447 157 Y N 1.177 121.681 120.300 0.341 0.000 2.341 157 Y HA 0.626 5.179 4.550 0.004 0.000 0.338 157 Y C 0.764 176.933 175.900 0.448 0.000 0.965 157 Y CA 0.240 58.521 58.100 0.302 0.000 1.108 157 Y CB 2.575 41.267 38.460 0.385 0.000 1.180 157 Y HN 0.861 nan 8.280 nan 0.000 0.458 158 G N 2.606 111.665 108.800 0.431 0.000 2.731 158 G HA2 0.564 4.526 3.960 0.004 0.000 0.309 158 G HA3 0.564 4.526 3.960 0.004 0.000 0.309 158 G C -1.772 173.358 174.900 0.383 0.000 1.273 158 G CA -0.859 44.557 45.100 0.526 0.000 0.798 158 G HN 0.429 nan 8.290 nan 0.000 0.509 159 I N 0.588 121.310 120.570 0.252 0.000 2.412 159 I HA 0.422 4.595 4.170 0.004 0.000 0.296 159 I C 0.289 176.289 176.117 -0.194 0.000 0.987 159 I CA -0.725 60.598 61.300 0.038 0.000 1.180 159 I CB 2.080 39.938 38.000 -0.237 0.000 1.340 159 I HN 0.354 nan 8.210 nan 0.000 0.455 160 R N 6.214 126.665 120.500 -0.083 0.000 2.419 160 R HA 0.231 4.573 4.340 0.004 0.000 0.305 160 R C -1.262 174.991 176.300 -0.078 0.000 1.242 160 R CA -0.467 55.600 56.100 -0.055 0.000 1.105 160 R CB 0.014 30.243 30.300 -0.118 0.000 1.116 160 R HN 0.397 nan 8.270 nan 0.000 0.523 161 Y N 2.031 122.440 120.300 0.182 0.000 2.526 161 Y HA -0.056 4.497 4.550 0.004 0.000 0.330 161 Y C 1.363 177.365 175.900 0.170 0.000 1.156 161 Y CA 0.140 58.334 58.100 0.156 0.000 1.419 161 Y CB 0.843 39.391 38.460 0.146 0.000 1.250 161 Y HN 0.593 nan 8.280 nan 0.000 0.540 162 E N 1.767 122.023 120.200 0.093 0.000 2.112 162 E HA -0.059 4.293 4.350 0.004 0.000 0.190 162 E C 0.154 176.430 176.600 -0.539 0.000 0.979 162 E CA 0.963 57.129 56.400 -0.389 0.000 0.814 162 E CB 0.062 29.327 29.700 -0.726 0.000 0.762 162 E HN 0.630 nan 8.360 nan 0.000 0.460 163 F N -0.505 119.614 119.950 0.281 0.000 2.764 163 F HA 0.347 4.877 4.527 0.004 0.000 0.310 163 F C 1.229 177.168 175.800 0.231 0.000 1.124 163 F CA 0.031 58.182 58.000 0.252 0.000 1.252 163 F CB 0.584 39.671 39.000 0.145 0.000 1.010 163 F HN 0.023 nan 8.300 nan 0.000 0.518 164 G N 1.593 110.601 108.800 0.347 0.000 2.685 164 G HA2 -0.332 3.630 3.960 0.004 0.000 0.329 164 G HA3 -0.332 3.630 3.960 0.004 0.000 0.329 164 G C -0.198 174.657 174.900 -0.075 0.000 1.271 164 G CA 0.408 45.565 45.100 0.095 0.000 1.003 164 G HN 0.226 nan 8.290 nan 0.000 0.549 165 I N 1.358 121.853 120.570 -0.125 0.000 2.534 165 I HA 0.464 4.636 4.170 0.004 0.000 0.288 165 I C 0.664 176.661 176.117 -0.200 0.000 1.077 165 I CA -0.959 60.229 61.300 -0.186 0.000 1.051 165 I CB 1.216 39.010 38.000 -0.343 0.000 1.234 165 I HN 0.687 nan 8.210 nan 0.000 0.425 166 F N 5.693 125.668 119.950 0.041 0.000 2.585 166 F HA -0.091 4.438 4.527 0.004 0.000 0.358 166 F C 0.150 176.008 175.800 0.096 0.000 1.068 166 F CA 0.091 58.139 58.000 0.079 0.000 1.301 166 F CB -0.586 38.456 39.000 0.070 0.000 0.964 166 F HN 0.476 nan 8.300 nan 0.000 0.608 167 N N 1.882 120.762 118.700 0.301 0.000 2.520 167 N HA 0.085 4.827 4.740 0.004 0.000 0.273 167 N C -0.776 174.990 175.510 0.426 0.000 1.155 167 N CA -0.674 52.530 53.050 0.257 0.000 0.967 167 N CB 0.646 39.256 38.487 0.205 0.000 1.092 167 N HN 0.715 nan 8.380 nan 0.000 0.457 168 Q N 2.248 122.275 119.800 0.377 0.000 2.256 168 Q HA 0.209 4.551 4.340 0.004 0.000 0.254 168 Q C -1.075 175.097 176.000 0.285 0.000 0.916 168 Q CA -0.378 55.674 55.803 0.415 0.000 0.932 168 Q CB 0.802 29.806 28.738 0.442 0.000 1.207 168 Q HN 0.413 nan 8.270 nan 0.000 0.426 169 K N 4.164 124.706 120.400 0.237 0.000 2.316 169 K HA 0.424 4.747 4.320 0.004 0.000 0.251 169 K C -1.132 175.577 176.600 0.182 0.000 0.934 169 K CA -0.664 55.734 56.287 0.186 0.000 0.802 169 K CB 1.143 33.725 32.500 0.137 0.000 1.171 169 K HN 0.569 nan 8.250 nan 0.000 0.426 170 I N 4.784 125.463 120.570 0.182 0.000 2.347 170 I HA 0.227 4.400 4.170 0.004 0.000 0.283 170 I C -0.745 175.445 176.117 0.122 0.000 1.058 170 I CA -0.628 60.764 61.300 0.154 0.000 1.202 170 I CB 0.348 38.461 38.000 0.187 0.000 1.386 170 I HN 0.583 nan 8.210 nan 0.000 0.475 171 C N 3.584 122.961 119.300 0.129 0.000 2.303 171 C HA 0.605 5.067 4.460 0.004 0.000 0.326 171 C C 1.418 176.510 174.990 0.171 0.000 1.285 171 C CA -0.517 58.576 59.018 0.125 0.000 1.675 171 C CB 0.499 28.307 27.740 0.113 0.000 2.289 171 C HN 1.064 nan 8.230 nan 0.000 0.512 172 G N 2.192 111.063 108.800 0.118 0.000 2.321 172 G HA2 0.124 4.086 3.960 0.004 0.000 0.287 172 G HA3 0.124 4.086 3.960 0.004 0.000 0.287 172 G C 1.104 175.944 174.900 -0.100 0.000 1.018 172 G CA 0.919 46.079 45.100 0.100 0.000 0.855 172 G HN 2.452 nan 8.290 nan 0.000 0.507 173 G N -2.950 105.769 108.800 -0.136 0.000 2.179 173 G HA2 -0.301 3.662 3.960 0.004 0.000 0.260 173 G HA3 -0.301 3.662 3.960 0.004 0.000 0.260 173 G C 0.355 174.978 174.900 -0.462 0.000 0.977 173 G CA 0.657 45.558 45.100 -0.332 0.000 0.641 173 G HN 1.188 nan 8.290 nan 0.000 0.533 174 W N 0.691 121.953 121.300 -0.063 0.000 2.512 174 W HA 0.644 5.307 4.660 0.004 0.000 0.335 174 W C 0.625 177.101 176.519 -0.072 0.000 1.088 174 W CA -0.962 56.332 57.345 -0.085 0.000 1.236 174 W CB 0.879 30.299 29.460 -0.067 0.000 1.307 174 W HN 0.256 nan 8.180 nan 0.000 0.567 175 Q N 3.474 123.374 119.800 0.167 0.000 2.304 175 Q HA 0.266 4.608 4.340 0.004 0.000 0.260 175 Q C -0.563 175.489 176.000 0.087 0.000 0.965 175 Q CA 0.138 56.006 55.803 0.108 0.000 0.898 175 Q CB 0.607 29.393 28.738 0.080 0.000 1.196 175 Q HN 0.370 nan 8.270 nan 0.000 0.402 176 M N 3.710 123.357 119.600 0.079 0.000 2.465 176 M HA 0.296 4.779 4.480 0.004 0.000 0.316 176 M C -0.928 175.369 176.300 -0.004 0.000 1.121 176 M CA -0.750 54.561 55.300 0.019 0.000 0.934 176 M CB 1.972 34.600 32.600 0.048 0.000 1.692 176 M HN 0.700 nan 8.290 nan 0.000 0.444 177 E N 2.162 122.289 120.200 -0.121 0.000 2.114 177 E HA 0.459 4.811 4.350 0.004 0.000 0.266 177 E C -1.068 175.539 176.600 0.012 0.000 0.896 177 E CA -0.352 55.956 56.400 -0.153 0.000 0.750 177 E CB 1.232 30.405 29.700 -0.880 0.000 1.121 177 E HN 0.563 nan 8.360 nan 0.000 0.413 178 E N 1.444 121.725 120.200 0.135 0.000 2.283 178 E HA 0.518 4.870 4.350 0.004 0.000 0.271 178 E C -0.386 176.324 176.600 0.183 0.000 1.031 178 E CA -1.014 55.463 56.400 0.127 0.000 0.868 178 E CB 1.560 31.336 29.700 0.126 0.000 1.094 178 E HN 0.674 nan 8.360 nan 0.000 0.401 179 A N 2.028 124.927 122.820 0.132 0.000 2.477 179 A HA 0.006 4.329 4.320 0.004 0.000 0.246 179 A C -0.098 177.632 177.584 0.243 0.000 1.078 179 A CA -0.120 52.016 52.037 0.165 0.000 0.770 179 A CB 0.176 19.192 19.000 0.028 0.000 1.011 179 A HN 0.544 nan 8.150 nan 0.000 0.494 180 D N 1.995 122.588 120.400 0.322 0.000 2.500 180 D HA 0.220 4.862 4.640 0.004 0.000 0.219 180 D C -0.779 175.805 176.300 0.474 0.000 1.137 180 D CA -0.405 53.801 54.000 0.344 0.000 0.946 180 D CB 0.286 41.255 40.800 0.281 0.000 1.022 180 D HN 0.462 nan 8.370 nan 0.000 0.518 181 D N 3.249 123.899 120.400 0.416 0.000 2.522 181 D HA -0.037 4.605 4.640 0.004 0.000 0.218 181 D C 1.408 177.833 176.300 0.208 0.000 1.149 181 D CA -0.839 53.357 54.000 0.326 0.000 0.981 181 D CB -0.320 40.698 40.800 0.364 0.000 1.041 181 D HN 0.518 nan 8.370 nan 0.000 0.518 182 W N 1.731 123.084 121.300 0.087 0.000 2.678 182 W HA 0.049 4.711 4.660 0.004 0.000 0.256 182 W C 0.033 176.610 176.519 0.096 0.000 1.280 182 W CA -0.256 57.151 57.345 0.102 0.000 1.345 182 W CB -0.584 28.931 29.460 0.090 0.000 1.118 182 W HN 0.165 nan 8.180 nan 0.000 0.629 183 L N 1.137 121.930 121.223 -0.717 0.000 2.592 183 L HA 0.165 4.508 4.340 0.004 0.000 0.227 183 L C 2.708 179.384 176.870 -0.323 0.000 1.127 183 L CA 0.029 54.447 54.840 -0.704 0.000 0.884 183 L CB -0.646 40.843 42.059 -0.951 0.000 1.065 183 L HN -0.106 nan 8.230 nan 0.000 0.457 184 R N 0.538 120.912 120.500 -0.211 0.000 2.133 184 R HA -0.221 4.121 4.340 0.004 0.000 0.247 184 R C 0.945 176.963 176.300 -0.470 0.000 1.151 184 R CA 2.077 57.977 56.100 -0.334 0.000 0.971 184 R CB -0.081 29.978 30.300 -0.402 0.000 0.866 184 R HN 0.369 nan 8.270 nan 0.000 0.447 185 Y N -1.072 119.243 120.300 0.025 0.000 2.612 185 Y HA 0.412 4.964 4.550 0.004 0.000 0.250 185 Y C 0.551 176.386 175.900 -0.107 0.000 1.175 185 Y CA -0.014 58.097 58.100 0.018 0.000 1.205 185 Y CB 1.197 39.776 38.460 0.198 0.000 1.201 185 Y HN 0.301 nan 8.280 nan 0.000 0.532 186 G N 1.560 110.349 108.800 -0.017 0.000 2.690 186 G HA2 -0.227 3.736 3.960 0.004 0.000 0.686 186 G HA3 -0.227 3.736 3.960 0.004 0.000 0.686 186 G C -1.320 173.570 174.900 -0.018 0.000 1.277 186 G CA -0.950 44.084 45.100 -0.111 0.000 0.799 186 G HN 0.241 nan 8.290 nan 0.000 0.613 187 N N 1.403 120.066 118.700 -0.061 0.000 2.511 187 N HA 0.574 5.317 4.740 0.004 0.000 0.249 187 N C -0.595 174.891 175.510 -0.040 0.000 0.971 187 N CA -2.180 50.909 53.050 0.065 0.000 0.938 187 N CB 1.908 40.440 38.487 0.075 0.000 1.131 187 N HN 0.203 nan 8.380 nan 0.000 0.505 188 P HA -0.018 nan 4.420 nan 0.000 0.226 188 P C 0.692 177.644 177.300 -0.579 0.000 1.153 188 P CA 0.909 63.664 63.100 -0.575 0.000 0.777 188 P CB 0.086 31.228 31.700 -0.930 0.000 0.794 189 W N 1.699 122.966 121.300 -0.055 0.000 2.584 189 W HA 0.031 4.694 4.660 0.004 0.000 0.264 189 W C 1.386 177.862 176.519 -0.071 0.000 1.264 189 W CA -0.278 57.029 57.345 -0.063 0.000 1.306 189 W CB -0.215 29.245 29.460 0.001 0.000 1.110 189 W HN 0.032 nan 8.180 nan 0.000 0.606 190 E N 1.337 121.626 120.200 0.148 0.000 2.280 190 E HA 0.306 4.658 4.350 0.004 0.000 0.264 190 E C -0.250 176.368 176.600 0.031 0.000 1.064 190 E CA -0.620 55.845 56.400 0.109 0.000 0.900 190 E CB 1.118 30.936 29.700 0.197 0.000 1.123 190 E HN -0.370 nan 8.360 nan 0.000 0.418 191 K N 1.190 121.589 120.400 -0.001 0.000 2.640 191 K HA 0.344 4.667 4.320 0.004 0.000 0.245 191 K C -1.205 175.288 176.600 -0.178 0.000 0.962 191 K CA -0.659 55.576 56.287 -0.087 0.000 0.896 191 K CB 1.529 33.934 32.500 -0.158 0.000 1.147 191 K HN 0.711 nan 8.250 nan 0.000 0.445 192 A N 4.154 126.787 122.820 -0.312 0.000 2.565 192 A HA 0.161 4.483 4.320 0.004 0.000 0.237 192 A C 0.027 177.403 177.584 -0.346 0.000 1.053 192 A CA 0.333 51.961 52.037 -0.681 0.000 0.755 192 A CB 0.184 18.870 19.000 -0.523 0.000 0.980 192 A HN 0.549 nan 8.150 nan 0.000 0.506 193 R N 3.479 123.790 120.500 -0.316 0.000 2.651 193 R HA 0.216 4.558 4.340 0.004 0.000 0.282 193 R C -2.409 173.871 176.300 -0.033 0.000 1.565 193 R CA -1.746 54.324 56.100 -0.049 0.000 1.661 193 R CB 0.844 31.235 30.300 0.152 0.000 1.189 193 R HN 0.556 nan 8.270 nan 0.000 0.621 194 P HA -0.138 nan 4.420 nan 0.000 0.218 194 P C 0.277 177.545 177.300 -0.054 0.000 1.149 194 P CA 1.153 64.222 63.100 -0.052 0.000 0.817 194 P CB 0.514 32.177 31.700 -0.062 0.000 0.785 195 E N -0.830 119.283 120.200 -0.144 0.000 2.333 195 E HA -0.104 4.248 4.350 0.004 0.000 0.198 195 E C 0.726 177.084 176.600 -0.404 0.000 1.007 195 E CA 0.899 57.104 56.400 -0.325 0.000 0.845 195 E CB -0.879 28.489 29.700 -0.554 0.000 0.766 195 E HN 0.349 nan 8.360 nan 0.000 0.507 196 F N 0.653 120.634 119.950 0.053 0.000 2.850 196 F HA 0.234 4.763 4.527 0.004 0.000 0.306 196 F C 0.175 176.071 175.800 0.159 0.000 1.162 196 F CA -0.449 57.612 58.000 0.102 0.000 1.327 196 F CB 0.131 39.200 39.000 0.115 0.000 0.953 196 F HN -0.304 nan 8.300 nan 0.000 0.507 197 T N 2.971 117.656 114.554 0.219 0.000 2.916 197 T HA 0.416 4.769 4.350 0.004 0.000 0.303 197 T C 0.048 174.835 174.700 0.145 0.000 1.025 197 T CA 0.291 62.510 62.100 0.200 0.000 1.142 197 T CB 0.521 69.460 68.868 0.119 0.000 0.947 197 T HN 0.042 nan 8.240 nan 0.000 0.544 198 L N 5.351 126.629 121.223 0.093 0.000 2.362 198 L HA 0.497 4.839 4.340 0.004 0.000 0.271 198 L C -2.416 174.393 176.870 -0.103 0.000 1.002 198 L CA -2.682 52.141 54.840 -0.029 0.000 0.818 198 L CB 2.114 44.087 42.059 -0.143 0.000 1.298 198 L HN 0.366 nan 8.230 nan 0.000 0.420 199 P HA 0.253 nan 4.420 nan 0.000 0.278 199 P C -1.089 176.019 177.300 -0.321 0.000 1.238 199 P CA -0.357 62.608 63.100 -0.225 0.000 0.794 199 P CB 1.334 32.879 31.700 -0.259 0.000 0.955 200 V N 3.670 123.365 119.914 -0.364 0.000 2.540 200 V HA 0.303 4.425 4.120 0.004 0.000 0.302 200 V C 0.028 175.811 176.094 -0.519 0.000 1.035 200 V CA -0.611 61.450 62.300 -0.397 0.000 0.873 200 V CB 1.266 32.880 31.823 -0.349 0.000 0.992 200 V HN 0.596 nan 8.190 nan 0.000 0.428 201 H N 3.767 122.647 119.070 -0.317 0.000 2.472 201 H HA 0.638 5.197 4.556 0.004 0.000 0.335 201 H C -1.313 173.747 175.328 -0.446 0.000 1.136 201 H CA -0.150 55.634 56.048 -0.440 0.000 1.264 201 H CB 1.926 31.169 29.762 -0.865 0.000 1.486 201 H HN 0.444 nan 8.280 nan 0.000 0.517 202 F N -0.100 119.908 119.950 0.096 0.000 2.626 202 F HA 0.225 4.754 4.527 0.004 0.000 0.311 202 F C -0.320 175.577 175.800 0.162 0.000 1.088 202 F CA -0.747 57.295 58.000 0.070 0.000 0.949 202 F CB 0.767 39.748 39.000 -0.032 0.000 1.322 202 F HN 0.609 nan 8.300 nan 0.000 0.461 203 Y N -0.143 120.437 120.300 0.467 0.000 2.916 203 Y HA -0.119 4.434 4.550 0.004 0.000 0.465 203 Y C 1.312 177.540 175.900 0.546 0.000 1.210 203 Y CA 1.005 59.310 58.100 0.342 0.000 2.458 203 Y CB -1.706 36.877 38.460 0.205 0.000 1.246 203 Y HN 0.720 nan 8.280 nan 0.000 0.635 204 G N -0.133 109.021 108.800 0.590 0.000 2.509 204 G HA2 0.526 4.488 3.960 0.004 0.000 0.168 204 G HA3 0.526 4.488 3.960 0.004 0.000 0.168 204 G C -0.388 174.706 174.900 0.325 0.000 1.415 204 G CA 0.299 45.621 45.100 0.370 0.000 0.686 204 G HN 0.835 nan 8.290 nan 0.000 0.677 205 R N -0.815 119.881 120.500 0.327 0.000 2.733 205 R HA 0.610 4.952 4.340 0.004 0.000 0.272 205 R C -2.123 174.325 176.300 0.246 0.000 1.029 205 R CA -0.558 55.691 56.100 0.249 0.000 0.888 205 R CB 1.326 31.714 30.300 0.147 0.000 1.251 205 R HN 0.144 nan 8.270 nan 0.000 0.464 206 V N 0.730 120.703 119.914 0.097 0.000 2.435 206 V HA 0.436 4.558 4.120 0.004 0.000 0.290 206 V C -0.211 175.832 176.094 -0.086 0.000 1.030 206 V CA -0.567 61.717 62.300 -0.027 0.000 0.881 206 V CB 1.396 33.125 31.823 -0.156 0.000 0.983 206 V HN 0.740 nan 8.190 nan 0.000 0.445 207 E N 2.661 122.772 120.200 -0.148 0.000 2.191 207 E HA 0.383 4.735 4.350 0.004 0.000 0.263 207 E C -1.157 175.313 176.600 -0.217 0.000 0.881 207 E CA -0.712 55.625 56.400 -0.106 0.000 0.757 207 E CB 0.945 30.630 29.700 -0.025 0.000 1.147 207 E HN 0.744 nan 8.360 nan 0.000 0.414 208 H N 3.128 122.207 119.070 0.014 0.000 2.594 208 H HA 0.082 4.641 4.556 0.004 0.000 0.304 208 H C 0.930 176.261 175.328 0.005 0.000 1.068 208 H CA 0.003 56.053 56.048 0.004 0.000 1.308 208 H CB 1.500 31.259 29.762 -0.005 0.000 1.409 208 H HN 0.675 nan 8.280 nan 0.000 0.460 209 T N 0.245 114.850 114.554 0.085 0.000 3.311 209 T HA -0.027 4.326 4.350 0.004 0.000 0.202 209 T C 1.392 176.125 174.700 0.055 0.000 0.880 209 T CA 1.319 63.452 62.100 0.054 0.000 2.029 209 T CB -0.070 68.815 68.868 0.027 0.000 1.693 209 T HN 0.560 nan 8.240 nan 0.000 0.438 210 S N -0.660 115.066 115.700 0.043 0.000 2.184 210 S HA 0.029 4.501 4.470 0.004 0.000 0.253 210 S C 1.731 176.347 174.600 0.027 0.000 0.950 210 S CA 0.383 58.602 58.200 0.032 0.000 1.541 210 S CB -0.694 62.519 63.200 0.022 0.000 1.172 210 S HN 0.780 nan 8.310 nan 0.000 0.577 211 Q N 1.423 121.239 119.800 0.027 0.000 2.324 211 Q HA 0.585 4.928 4.340 0.004 0.000 0.207 211 Q C 1.035 177.051 176.000 0.027 0.000 0.928 211 Q CA 0.639 56.455 55.803 0.022 0.000 0.890 211 Q CB 0.492 29.240 28.738 0.017 0.000 1.001 211 Q HN 0.611 nan 8.270 nan 0.000 0.517 212 G N 0.290 109.108 108.800 0.030 0.000 2.495 212 G HA2 0.527 4.490 3.960 0.004 0.000 0.294 212 G HA3 0.527 4.490 3.960 0.004 0.000 0.294 212 G C -1.850 173.062 174.900 0.020 0.000 1.397 212 G CA -0.521 44.598 45.100 0.032 0.000 0.790 212 G HN 0.316 nan 8.290 nan 0.000 0.486 213 A N 0.136 122.953 122.820 -0.004 0.000 2.331 213 A HA 0.724 5.047 4.320 0.004 0.000 0.283 213 A C 0.118 177.659 177.584 -0.072 0.000 1.142 213 A CA -0.178 51.798 52.037 -0.102 0.000 0.812 213 A CB 0.682 19.586 19.000 -0.159 0.000 1.074 213 A HN 0.440 nan 8.150 nan 0.000 0.497 214 K N 1.252 121.605 120.400 -0.079 0.000 2.270 214 K HA 0.221 4.543 4.320 0.004 0.000 0.255 214 K C -1.722 174.909 176.600 0.052 0.000 0.936 214 K CA -0.388 55.891 56.287 -0.014 0.000 0.809 214 K CB 1.790 34.280 32.500 -0.016 0.000 1.131 214 K HN 0.761 nan 8.250 nan 0.000 0.427 215 W N 5.714 126.925 121.300 -0.148 0.000 2.288 215 W HA 0.322 4.984 4.660 0.004 0.000 0.325 215 W C -0.825 175.619 176.519 -0.125 0.000 1.019 215 W CA -0.750 56.512 57.345 -0.140 0.000 1.403 215 W CB -0.106 29.259 29.460 -0.160 0.000 1.226 215 W HN 0.234 nan 8.180 nan 0.000 0.391 216 V N 2.299 122.245 119.914 0.053 0.000 3.158 216 V HA 0.589 4.712 4.120 0.004 0.000 0.315 216 V C -0.070 175.998 176.094 -0.044 0.000 1.148 216 V CA -1.053 61.205 62.300 -0.071 0.000 1.042 216 V CB 1.724 33.536 31.823 -0.017 0.000 1.101 216 V HN 0.374 nan 8.190 nan 0.000 0.448 217 D N 0.272 120.647 120.400 -0.041 0.000 2.772 217 D HA -0.136 4.506 4.640 0.004 0.000 0.233 217 D C 0.531 176.839 176.300 0.014 0.000 1.143 217 D CA 1.487 55.488 54.000 0.001 0.000 0.700 217 D CB -1.453 39.370 40.800 0.038 0.000 1.076 217 D HN 1.221 nan 8.370 nan 0.000 0.430 218 T N -2.912 111.607 114.554 -0.058 0.000 2.899 218 T HA 0.435 4.788 4.350 0.004 0.000 0.284 218 T C 0.366 175.117 174.700 0.084 0.000 1.004 218 T CA -0.894 61.195 62.100 -0.019 0.000 1.043 218 T CB 2.487 71.194 68.868 -0.269 0.000 1.013 218 T HN 0.225 nan 8.240 nan 0.000 0.518 219 Q N 0.787 120.710 119.800 0.205 0.000 2.259 219 Q HA 0.547 4.889 4.340 0.004 0.000 0.249 219 Q C -1.433 174.650 176.000 0.138 0.000 0.914 219 Q CA -0.814 55.108 55.803 0.198 0.000 0.904 219 Q CB 1.028 29.962 28.738 0.328 0.000 1.213 219 Q HN 0.600 nan 8.270 nan 0.000 0.428 220 V N 4.157 124.097 119.914 0.044 0.000 2.513 220 V HA 0.473 4.595 4.120 0.004 0.000 0.299 220 V C -0.659 175.456 176.094 0.035 0.000 1.035 220 V CA -0.713 61.532 62.300 -0.091 0.000 0.889 220 V CB 1.859 33.570 31.823 -0.187 0.000 0.988 220 V HN 0.687 nan 8.190 nan 0.000 0.440 221 V N 5.667 125.617 119.914 0.060 0.000 2.540 221 V HA 0.476 4.598 4.120 0.004 0.000 0.302 221 V C -0.172 176.001 176.094 0.130 0.000 1.035 221 V CA -0.681 61.719 62.300 0.166 0.000 0.873 221 V CB 1.849 33.884 31.823 0.352 0.000 0.992 221 V HN 0.629 nan 8.190 nan 0.000 0.428 222 L N 3.794 125.102 121.223 0.142 0.000 2.349 222 L HA 0.654 4.997 4.340 0.004 0.000 0.275 222 L C 0.558 177.598 176.870 0.283 0.000 1.115 222 L CA -0.149 54.772 54.840 0.136 0.000 0.820 222 L CB 1.162 43.287 42.059 0.111 0.000 1.135 222 L HN 0.786 nan 8.230 nan 0.000 0.445 223 A N 5.728 128.658 122.820 0.183 0.000 2.256 223 A HA 0.598 4.921 4.320 0.004 0.000 0.317 223 A C -0.464 177.369 177.584 0.415 0.000 1.318 223 A CA -0.486 51.695 52.037 0.240 0.000 0.894 223 A CB 0.919 19.619 19.000 -0.500 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.525 224 M N 5.941 125.860 119.600 0.531 0.000 2.205 224 M HA 0.502 4.984 4.480 0.004 0.000 0.344 224 M C -2.609 173.969 176.300 0.464 0.000 1.085 224 M CA -2.111 53.455 55.300 0.443 0.000 1.001 224 M CB 2.323 35.092 32.600 0.282 0.000 1.626 224 M HN 0.375 nan 8.290 nan 0.000 0.442 225 P HA 0.269 nan 4.420 nan 0.000 0.286 225 P C -1.971 175.258 177.300 -0.119 0.000 1.261 225 P CA -0.111 62.852 63.100 -0.228 0.000 0.821 225 P CB 0.630 31.967 31.700 -0.605 0.000 1.013 226 Y N 0.330 120.493 120.300 -0.228 0.000 2.331 226 Y HA 0.259 4.811 4.550 0.004 0.000 0.334 226 Y C 0.378 176.151 175.900 -0.211 0.000 0.960 226 Y CA -0.700 57.310 58.100 -0.151 0.000 1.130 226 Y CB 1.505 39.914 38.460 -0.084 0.000 1.164 226 Y HN 0.197 nan 8.280 nan 0.000 0.458 227 D N 2.639 122.981 120.400 -0.096 0.000 2.225 227 D HA 0.243 4.885 4.640 0.004 0.000 0.248 227 D C -0.546 175.650 176.300 -0.172 0.000 1.096 227 D CA -0.057 53.837 54.000 -0.176 0.000 0.863 227 D CB 1.726 42.373 40.800 -0.255 0.000 1.156 227 D HN 0.395 nan 8.370 nan 0.000 0.450 228 T N 3.128 117.583 114.554 -0.165 0.000 2.786 228 T HA 0.444 4.797 4.350 0.004 0.000 0.283 228 T C -2.521 172.066 174.700 -0.188 0.000 0.992 228 T CA -1.519 60.502 62.100 -0.132 0.000 0.954 228 T CB 1.926 70.768 68.868 -0.043 0.000 0.934 228 T HN 0.059 nan 8.240 nan 0.000 0.440 229 P HA 0.321 nan 4.420 nan 0.000 0.275 229 P C -0.840 176.426 177.300 -0.056 0.000 1.227 229 P CA -0.612 62.387 63.100 -0.169 0.000 0.781 229 P CB 0.715 32.289 31.700 -0.210 0.000 0.906 230 V N 3.147 123.063 119.914 0.003 0.000 2.378 230 V HA 0.607 4.729 4.120 0.004 0.000 0.288 230 V C -2.698 173.402 176.094 0.010 0.000 1.016 230 V CA -2.831 59.457 62.300 -0.021 0.000 0.840 230 V CB 1.718 33.523 31.823 -0.031 0.000 0.994 230 V HN 0.395 nan 8.190 nan 0.000 0.431 231 P HA 0.396 nan 4.420 nan 0.000 0.288 231 P C 0.246 177.551 177.300 0.009 0.000 1.267 231 P CA 0.213 63.316 63.100 0.005 0.000 0.815 231 P CB 1.610 33.304 31.700 -0.010 0.000 0.989 232 G N 1.786 110.593 108.800 0.011 0.000 2.572 232 G HA2 0.138 4.100 3.960 0.004 0.000 0.261 232 G HA3 0.138 4.100 3.960 0.004 0.000 0.261 232 G C -1.077 173.851 174.900 0.047 0.000 1.197 232 G CA -0.389 44.731 45.100 0.033 0.000 0.870 232 G HN 0.447 nan 8.290 nan 0.000 0.548 233 Y N 0.870 121.151 120.300 -0.032 0.000 2.730 233 Y HA 0.176 4.728 4.550 0.004 0.000 0.354 233 Y C 1.472 177.348 175.900 -0.039 0.000 1.139 233 Y CA -0.046 58.029 58.100 -0.042 0.000 1.516 233 Y CB -0.082 38.348 38.460 -0.050 0.000 1.204 233 Y HN 0.771 nan 8.280 nan 0.000 0.520 234 R N 2.271 122.489 120.500 -0.470 0.000 3.932 234 R HA -0.334 4.008 4.340 0.004 0.000 0.318 234 R C 0.596 176.762 176.300 -0.223 0.000 1.219 234 R CA 1.617 57.446 56.100 -0.452 0.000 0.889 234 R CB -1.809 28.023 30.300 -0.779 0.000 1.309 234 R HN 0.938 nan 8.270 nan 0.000 0.537 235 N N -1.617 117.006 118.700 -0.129 0.000 2.220 235 N HA 0.035 4.777 4.740 0.004 0.000 0.195 235 N C 0.011 175.478 175.510 -0.072 0.000 1.123 235 N CA -0.059 52.947 53.050 -0.073 0.000 0.874 235 N CB 0.482 38.953 38.487 -0.026 0.000 0.995 235 N HN 0.086 nan 8.380 nan 0.000 0.498 236 N N 0.028 118.683 118.700 -0.076 0.000 2.878 236 N HA -0.149 4.593 4.740 0.004 0.000 0.247 236 N C -0.520 174.943 175.510 -0.078 0.000 1.021 236 N CA 1.106 54.115 53.050 -0.069 0.000 0.873 236 N CB -1.599 36.843 38.487 -0.075 0.000 1.128 236 N HN 0.488 nan 8.380 nan 0.000 0.571 237 V N -1.437 118.438 119.914 -0.065 0.000 2.385 237 V HA 0.630 4.752 4.120 0.004 0.000 0.269 237 V C 0.308 176.369 176.094 -0.054 0.000 1.043 237 V CA -0.580 61.671 62.300 -0.082 0.000 0.906 237 V CB 1.655 33.458 31.823 -0.034 0.000 0.995 237 V HN -0.045 nan 8.190 nan 0.000 0.467 238 V N 6.993 126.863 119.914 -0.073 0.000 2.313 238 V HA 0.464 4.587 4.120 0.004 0.000 0.278 238 V C 0.247 176.350 176.094 0.015 0.000 1.017 238 V CA -0.552 61.768 62.300 0.033 0.000 0.823 238 V CB 0.676 32.593 31.823 0.156 0.000 1.010 238 V HN 0.966 nan 8.190 nan 0.000 0.443 239 N N 2.382 121.089 118.700 0.012 0.000 2.364 239 N HA 0.416 5.158 4.740 0.004 0.000 0.264 239 N C 0.123 175.718 175.510 0.141 0.000 1.263 239 N CA -0.193 52.835 53.050 -0.037 0.000 0.959 239 N CB 0.699 39.125 38.487 -0.103 0.000 1.204 239 N HN 0.557 nan 8.380 nan 0.000 0.550 240 T N 0.791 115.372 114.554 0.044 0.000 2.797 240 T HA 0.405 4.758 4.350 0.004 0.000 0.279 240 T C -0.110 174.575 174.700 -0.024 0.000 0.991 240 T CA -0.475 61.731 62.100 0.176 0.000 0.979 240 T CB 0.839 69.926 68.868 0.366 0.000 0.943 240 T HN 0.296 nan 8.240 nan 0.000 0.444 241 M N 3.591 123.126 119.600 -0.109 0.000 2.101 241 M HA 0.585 5.068 4.480 0.004 0.000 0.340 241 M C -0.620 175.494 176.300 -0.311 0.000 1.057 241 M CA -0.823 54.325 55.300 -0.253 0.000 0.984 241 M CB 0.677 33.099 32.600 -0.296 0.000 1.560 241 M HN 0.370 nan 8.290 nan 0.000 0.435 242 R N 4.588 124.792 120.500 -0.494 0.000 2.246 242 R HA 0.576 4.918 4.340 0.004 0.000 0.332 242 R C -2.120 173.810 176.300 -0.616 0.000 0.974 242 R CA -0.328 55.397 56.100 -0.625 0.000 0.837 242 R CB 0.699 30.390 30.300 -1.015 0.000 1.145 242 R HN 0.652 nan 8.270 nan 0.000 0.467 243 L N 5.107 126.068 121.223 -0.436 0.000 2.329 243 L HA 0.539 4.881 4.340 0.004 0.000 0.279 243 L C -1.035 175.699 176.870 -0.227 0.000 1.014 243 L CA -0.651 54.034 54.840 -0.258 0.000 0.814 243 L CB 1.279 43.283 42.059 -0.092 0.000 1.257 243 L HN 0.618 nan 8.230 nan 0.000 0.424 244 W N 2.164 123.569 121.300 0.175 0.000 2.390 244 W HA 0.603 5.265 4.660 0.004 0.000 0.312 244 W C 0.465 177.186 176.519 0.337 0.000 1.123 244 W CA -0.362 57.130 57.345 0.246 0.000 1.202 244 W CB 1.537 31.058 29.460 0.101 0.000 1.251 244 W HN 0.400 nan 8.180 nan 0.000 0.511 245 S N 2.041 118.103 115.700 0.603 0.000 2.454 245 S HA 0.762 5.235 4.470 0.004 0.000 0.306 245 S C -0.313 174.599 174.600 0.519 0.000 1.100 245 S CA -0.655 57.798 58.200 0.422 0.000 1.087 245 S CB 0.497 63.925 63.200 0.379 0.000 1.019 245 S HN 0.500 nan 8.310 nan 0.000 0.480 246 A N 5.137 128.113 122.820 0.259 0.000 2.328 246 A HA 0.696 5.018 4.320 0.004 0.000 0.284 246 A C -0.410 177.268 177.584 0.157 0.000 1.160 246 A CA -0.504 51.624 52.037 0.151 0.000 0.818 246 A CB 0.402 19.202 19.000 -0.333 0.000 1.087 246 A HN 0.685 nan 8.150 nan 0.000 0.504 247 K N 1.334 121.850 120.400 0.193 0.000 2.371 247 K HA 0.648 4.970 4.320 0.004 0.000 0.251 247 K C -0.467 176.206 176.600 0.120 0.000 0.934 247 K CA -0.473 55.900 56.287 0.143 0.000 0.798 247 K CB 2.209 34.799 32.500 0.149 0.000 1.204 247 K HN 0.746 nan 8.250 nan 0.000 0.427 248 A N 3.548 126.425 122.820 0.096 0.000 2.371 248 A HA 0.525 4.847 4.320 0.004 0.000 0.257 248 A C -2.081 175.540 177.584 0.062 0.000 1.089 248 A CA -0.973 51.111 52.037 0.078 0.000 0.794 248 A CB -0.371 18.673 19.000 0.074 0.000 1.029 248 A HN 0.386 nan 8.150 nan 0.000 0.488 249 P HA 0.199 nan 4.420 nan 0.000 0.274 249 P C -0.619 176.653 177.300 -0.045 0.000 1.264 249 P CA -0.263 62.833 63.100 -0.007 0.000 0.795 249 P CB 0.403 32.081 31.700 -0.037 0.000 1.064 250 N N -0.732 117.910 118.700 -0.096 0.000 2.229 250 N HA 0.543 5.285 4.740 0.004 0.000 0.298 250 N C -1.827 173.434 175.510 -0.415 0.000 1.114 250 N CA -0.650 52.248 53.050 -0.254 0.000 0.776 250 N CB 1.485 40.008 38.487 0.060 0.000 1.501 250 N HN 0.447 nan 8.380 nan 0.000 0.474 251 D N 0.417 120.251 120.400 -0.944 0.000 2.301 251 D HA 0.351 4.993 4.640 0.004 0.000 0.203 251 D C -1.498 174.282 176.300 -0.868 0.000 1.300 251 D CA -0.445 53.181 54.000 -0.622 0.000 0.899 251 D CB 0.261 40.843 40.800 -0.364 0.000 1.597 251 D HN 0.159 nan 8.370 nan 0.000 0.538 260 G N -0.023 108.786 108.800 0.016 0.000 2.719 260 G HA2 0.392 4.354 3.960 0.004 0.000 0.686 260 G HA3 0.392 4.354 3.960 0.004 0.000 0.686 260 G C 0.117 175.044 174.900 0.046 0.000 1.201 260 G CA -0.101 45.004 45.100 0.009 0.000 0.768 260 G HN 1.595 nan 8.290 nan 0.000 0.629 261 G N -0.395 108.474 108.800 0.114 0.000 2.613 261 G HA2 0.746 4.708 3.960 0.004 0.000 0.303 261 G HA3 0.746 4.708 3.960 0.004 0.000 0.303 261 G C -0.925 174.102 174.900 0.212 0.000 1.312 261 G CA -0.822 44.371 45.100 0.155 0.000 1.036 261 G HN 0.912 nan 8.290 nan 0.000 0.513 262 Y N -1.130 119.175 120.300 0.008 0.000 2.587 262 Y HA 0.430 4.982 4.550 0.004 0.000 0.337 262 Y C 0.824 176.734 175.900 0.018 0.000 1.065 262 Y CA -1.092 57.017 58.100 0.014 0.000 1.126 262 Y CB 2.186 40.652 38.460 0.010 0.000 1.279 262 Y HN 0.523 nan 8.280 nan 0.000 0.489 263 I N 2.013 122.452 120.570 -0.218 0.000 2.204 263 I HA 0.168 4.340 4.170 0.004 0.000 0.291 263 I C 0.408 176.542 176.117 0.028 0.000 1.153 263 I CA 0.095 61.332 61.300 -0.105 0.000 1.546 263 I CB 0.144 38.038 38.000 -0.176 0.000 1.490 263 I HN 0.611 nan 8.210 nan 0.000 0.697 264 Q N 4.352 124.199 119.800 0.077 0.000 2.217 264 Q HA 0.258 4.600 4.340 0.004 0.000 0.217 264 Q C 1.314 177.340 176.000 0.042 0.000 0.844 264 Q CA 0.696 56.542 55.803 0.071 0.000 0.957 264 Q CB 0.682 29.470 28.738 0.083 0.000 1.127 264 Q HN 0.740 nan 8.270 nan 0.000 0.503 265 A N 0.775 123.615 122.820 0.033 0.000 2.125 265 A HA -0.012 4.311 4.320 0.004 0.000 0.219 265 A C 2.005 179.612 177.584 0.040 0.000 1.156 265 A CA 1.116 53.167 52.037 0.023 0.000 0.671 265 A CB -0.391 18.613 19.000 0.006 0.000 0.794 265 A HN 0.194 nan 8.150 nan 0.000 0.459 266 V N -0.251 119.690 119.914 0.045 0.000 2.427 266 V HA -0.227 3.895 4.120 0.004 0.000 0.248 266 V C 2.487 178.610 176.094 0.047 0.000 1.051 266 V CA 1.838 64.169 62.300 0.052 0.000 1.048 266 V CB -0.574 31.274 31.823 0.042 0.000 0.666 266 V HN 0.612 nan 8.190 nan 0.000 0.456 267 L N -0.422 120.826 121.223 0.041 0.000 2.027 267 L HA -0.138 4.204 4.340 0.004 0.000 0.206 267 L C 2.432 179.323 176.870 0.035 0.000 1.074 267 L CA 1.498 56.359 54.840 0.036 0.000 0.745 267 L CB -0.738 41.339 42.059 0.031 0.000 0.898 267 L HN 0.326 nan 8.230 nan 0.000 0.433 268 D N 0.105 120.524 120.400 0.032 0.000 2.116 268 D HA -0.190 4.453 4.640 0.004 0.000 0.193 268 D C 2.209 178.538 176.300 0.048 0.000 0.998 268 D CA 1.053 55.075 54.000 0.036 0.000 0.836 268 D CB -0.319 40.500 40.800 0.030 0.000 0.951 268 D HN 0.188 nan 8.370 nan 0.000 0.449 269 R N 0.560 121.091 120.500 0.051 0.000 2.261 269 R HA -0.104 4.238 4.340 0.004 0.000 0.236 269 R C 1.798 178.134 176.300 0.060 0.000 1.141 269 R CA 0.588 56.726 56.100 0.063 0.000 1.001 269 R CB -0.301 30.046 30.300 0.079 0.000 0.866 269 R HN 0.373 nan 8.270 nan 0.000 0.468 270 N N 0.311 119.042 118.700 0.052 0.000 2.508 270 N HA 0.011 4.753 4.740 0.004 0.000 0.186 270 N C 1.782 177.318 175.510 0.044 0.000 1.034 270 N CA 0.107 53.187 53.050 0.050 0.000 0.885 270 N CB 0.303 38.818 38.487 0.047 0.000 1.135 270 N HN 0.049 nan 8.380 nan 0.000 0.435 271 L N 1.234 122.479 121.223 0.036 0.000 2.275 271 L HA -0.004 4.339 4.340 0.004 0.000 0.215 271 L C 2.520 179.392 176.870 0.004 0.000 1.119 271 L CA 0.987 55.840 54.840 0.022 0.000 0.790 271 L CB -0.281 41.788 42.059 0.017 0.000 0.919 271 L HN 0.160 nan 8.230 nan 0.000 0.443 272 A N -0.218 122.616 122.820 0.023 0.000 1.929 272 A HA -0.135 4.187 4.320 0.004 0.000 0.216 272 A C 2.197 179.778 177.584 -0.006 0.000 1.176 272 A CA 1.256 53.308 52.037 0.025 0.000 0.628 272 A CB -0.184 18.856 19.000 0.067 0.000 0.816 272 A HN 0.441 nan 8.150 nan 0.000 0.444 273 E N -0.458 119.754 120.200 0.020 0.000 2.340 273 E HA -0.043 4.309 4.350 0.004 0.000 0.194 273 E C 1.176 177.795 176.600 0.032 0.000 0.996 273 E CA 0.041 56.455 56.400 0.024 0.000 0.869 273 E CB -0.081 29.655 29.700 0.060 0.000 0.835 273 E HN 0.445 nan 8.360 nan 0.000 0.493 274 N N 1.558 120.285 118.700 0.045 0.000 2.205 274 N HA -0.149 4.593 4.740 0.004 0.000 0.186 274 N C 1.756 177.307 175.510 0.068 0.000 1.015 274 N CA 0.810 53.908 53.050 0.079 0.000 0.862 274 N CB -0.199 38.339 38.487 0.086 0.000 0.986 274 N HN 0.229 nan 8.380 nan 0.000 0.429 275 I N -0.487 120.069 120.570 -0.024 0.000 2.229 275 I HA -0.292 3.881 4.170 0.004 0.000 0.250 275 I C 1.980 178.047 176.117 -0.084 0.000 1.096 275 I CA 1.265 62.500 61.300 -0.109 0.000 1.358 275 I CB -0.171 37.603 38.000 -0.376 0.000 1.047 275 I HN 0.098 nan 8.210 nan 0.000 0.422 276 S N -0.925 114.736 115.700 -0.066 0.000 2.540 276 S HA 0.155 4.627 4.470 0.004 0.000 0.222 276 S C 1.830 176.488 174.600 0.097 0.000 1.008 276 S CA -0.282 57.895 58.200 -0.038 0.000 0.939 276 S CB 0.087 63.256 63.200 -0.052 0.000 0.865 276 S HN 0.239 nan 8.310 nan 0.000 0.499 277 R N 0.085 120.682 120.500 0.162 0.000 2.062 277 R HA 0.156 4.499 4.340 0.004 0.000 0.231 277 R C -0.017 176.491 176.300 0.346 0.000 1.136 277 R CA 1.073 57.337 56.100 0.274 0.000 0.948 277 R CB 0.089 30.559 30.300 0.284 0.000 0.845 277 R HN 0.241 nan 8.270 nan 0.000 0.430 278 V N 0.189 120.264 119.914 0.269 0.000 3.012 278 V HA 0.236 4.359 4.120 0.004 0.000 0.307 278 V C -0.834 175.176 176.094 -0.141 0.000 1.166 278 V CA -0.849 61.512 62.300 0.101 0.000 0.974 278 V CB 2.215 34.036 31.823 -0.005 0.000 1.040 278 V HN 0.093 nan 8.190 nan 0.000 0.428 279 L N 4.130 125.059 121.223 -0.490 0.000 2.479 279 L HA 0.564 4.906 4.340 0.004 0.000 0.249 279 L C -1.376 175.077 176.870 -0.695 0.000 1.178 279 L CA 0.105 54.519 54.840 -0.709 0.000 0.811 279 L CB 1.021 42.474 42.059 -1.011 0.000 1.187 279 L HN 0.643 nan 8.230 nan 0.000 0.480 280 Y N 1.104 121.357 120.300 -0.079 0.000 2.462 280 Y HA 0.521 5.074 4.550 0.004 0.000 0.346 280 Y C -1.782 174.104 175.900 -0.023 0.000 0.976 280 Y CA -1.905 56.192 58.100 -0.005 0.000 1.044 280 Y CB 0.691 39.177 38.460 0.043 0.000 1.230 280 Y HN 0.526 nan 8.280 nan 0.000 0.455 288 G N 2.381 111.186 108.800 0.008 0.000 4.740 288 G HA2 0.204 4.166 3.960 0.004 0.000 0.290 288 G HA3 0.204 4.166 3.960 0.004 0.000 0.290 288 G C -0.432 174.538 174.900 0.117 0.000 1.333 288 G CA -0.634 44.477 45.100 0.018 0.000 0.923 288 G HN 0.117 nan 8.290 nan 0.000 0.559 289 K N 0.601 121.045 120.400 0.074 0.000 2.469 289 K HA 0.047 4.369 4.320 0.004 0.000 0.274 289 K C 1.279 177.963 176.600 0.140 0.000 0.983 289 K CA -0.145 56.181 56.287 0.066 0.000 0.974 289 K CB 1.233 33.690 32.500 -0.073 0.000 0.913 289 K HN 0.445 nan 8.250 nan 0.000 0.493 290 E N 1.327 121.563 120.200 0.060 0.000 2.085 290 E HA -0.215 4.138 4.350 0.004 0.000 0.194 290 E C 1.808 178.358 176.600 -0.082 0.000 0.994 290 E CA 1.045 57.430 56.400 -0.024 0.000 0.801 290 E CB 0.059 29.754 29.700 -0.009 0.000 0.743 290 E HN 0.411 nan 8.360 nan 0.000 0.453 291 L N 0.945 122.148 121.223 -0.034 0.000 2.046 291 L HA -0.206 4.136 4.340 0.004 0.000 0.208 291 L C 2.708 179.591 176.870 0.021 0.000 1.077 291 L CA 1.335 56.165 54.840 -0.016 0.000 0.747 291 L CB -0.157 41.929 42.059 0.045 0.000 0.896 291 L HN 0.004 nan 8.230 nan 0.000 0.432 292 R N -0.621 119.899 120.500 0.034 0.000 2.081 292 R HA -0.210 4.133 4.340 0.004 0.000 0.235 292 R C 2.253 178.597 176.300 0.073 0.000 1.131 292 R CA 1.851 58.033 56.100 0.136 0.000 0.960 292 R CB -0.386 30.050 30.300 0.226 0.000 0.856 292 R HN 0.347 nan 8.270 nan 0.000 0.436 293 L N 1.586 122.675 121.223 -0.223 0.000 2.056 293 L HA -0.136 4.206 4.340 0.004 0.000 0.207 293 L C 1.881 178.655 176.870 -0.160 0.000 1.078 293 L CA 1.838 56.360 54.840 -0.531 0.000 0.749 293 L CB -0.384 41.031 42.059 -1.073 0.000 0.901 293 L HN 0.039 nan 8.230 nan 0.000 0.433 294 K N -0.901 119.431 120.400 -0.113 0.000 2.032 294 K HA -0.234 4.088 4.320 0.004 0.000 0.209 294 K C 2.121 178.872 176.600 0.253 0.000 1.048 294 K CA 1.986 58.279 56.287 0.009 0.000 0.927 294 K CB -0.226 32.096 32.500 -0.297 0.000 0.712 294 K HN 0.504 nan 8.250 nan 0.000 0.441 295 Q N 0.527 120.431 119.800 0.173 0.000 2.096 295 Q HA -0.204 4.138 4.340 0.004 0.000 0.204 295 Q C 1.967 178.154 176.000 0.311 0.000 0.982 295 Q CA 1.546 57.501 55.803 0.253 0.000 0.850 295 Q CB -0.002 28.894 28.738 0.264 0.000 0.901 295 Q HN 0.392 nan 8.270 nan 0.000 0.422 296 E N -0.429 119.918 120.200 0.244 0.000 2.072 296 E HA -0.200 4.153 4.350 0.004 0.000 0.191 296 E C 1.689 178.413 176.600 0.208 0.000 0.985 296 E CA 0.930 57.467 56.400 0.229 0.000 0.801 296 E CB -0.111 29.709 29.700 0.201 0.000 0.750 296 E HN 0.341 nan 8.360 nan 0.000 0.452 297 Y N 0.331 120.687 120.300 0.093 0.000 2.314 297 Y HA -0.170 4.382 4.550 0.004 0.000 0.293 297 Y C 1.870 177.800 175.900 0.050 0.000 1.129 297 Y CA 0.936 59.050 58.100 0.022 0.000 1.201 297 Y CB -0.300 38.149 38.460 -0.019 0.000 0.999 297 Y HN 0.021 nan 8.280 nan 0.000 0.541 298 F N -0.617 119.293 119.950 -0.067 0.000 2.095 298 F HA -0.211 4.318 4.527 0.004 0.000 0.298 298 F C 2.328 177.961 175.800 -0.278 0.000 1.104 298 F CA 1.951 59.849 58.000 -0.171 0.000 1.232 298 F CB -0.665 38.397 39.000 0.103 0.000 0.987 298 F HN -0.085 nan 8.300 nan 0.000 0.475 299 V N -0.591 119.296 119.914 -0.044 0.000 2.719 299 V HA -0.132 3.990 4.120 0.004 0.000 0.252 299 V C 1.981 177.953 176.094 -0.203 0.000 1.065 299 V CA 1.432 63.682 62.300 -0.084 0.000 1.086 299 V CB -0.025 31.956 31.823 0.264 0.000 0.700 299 V HN 0.277 nan 8.190 nan 0.000 0.467 300 V N 0.278 120.060 119.914 -0.220 0.000 2.323 300 V HA -0.096 4.026 4.120 0.004 0.000 0.244 300 V C 2.750 178.601 176.094 -0.405 0.000 1.041 300 V CA 1.924 64.089 62.300 -0.225 0.000 1.025 300 V CB -0.826 30.934 31.823 -0.104 0.000 0.656 300 V HN 0.596 nan 8.190 nan 0.000 0.451 301 A N -0.095 122.310 122.820 -0.691 0.000 1.898 301 A HA -0.074 4.248 4.320 0.004 0.000 0.216 301 A C 2.381 179.583 177.584 -0.637 0.000 1.181 301 A CA 2.014 53.633 52.037 -0.697 0.000 0.620 301 A CB -0.735 17.610 19.000 -1.092 0.000 0.819 301 A HN 0.548 nan 8.150 nan 0.000 0.442 302 A N -1.021 121.249 122.820 -0.916 0.000 1.898 302 A HA -0.049 4.273 4.320 0.004 0.000 0.216 302 A C 2.319 179.399 177.584 -0.840 0.000 1.181 302 A CA 2.243 53.537 52.037 -1.239 0.000 0.620 302 A CB -1.210 16.376 19.000 -2.358 0.000 0.819 302 A HN 0.420 nan 8.150 nan 0.000 0.442 303 T N 0.423 114.632 114.554 -0.576 0.000 2.701 303 T HA -0.100 4.253 4.350 0.004 0.000 0.263 303 T C 1.746 176.190 174.700 -0.426 0.000 1.040 303 T CA 1.505 63.373 62.100 -0.387 0.000 1.147 303 T CB -0.366 68.291 68.868 -0.352 0.000 0.865 303 T HN 0.187 nan 8.240 nan 0.000 0.426 304 L N 1.479 122.497 121.223 -0.342 0.000 2.081 304 L HA -0.126 4.216 4.340 0.004 0.000 0.212 304 L C 2.610 179.370 176.870 -0.183 0.000 1.080 304 L CA 1.578 56.269 54.840 -0.248 0.000 0.754 304 L CB -1.140 40.816 42.059 -0.173 0.000 0.893 304 L HN 0.349 nan 8.230 nan 0.000 0.433 305 Q N -0.997 118.692 119.800 -0.184 0.000 2.061 305 Q HA -0.251 4.092 4.340 0.004 0.000 0.204 305 Q C 1.919 177.897 176.000 -0.037 0.000 0.984 305 Q CA 1.722 57.467 55.803 -0.095 0.000 0.846 305 Q CB -0.195 28.472 28.738 -0.118 0.000 0.902 305 Q HN 0.461 nan 8.270 nan 0.000 0.421 306 D N 0.504 120.876 120.400 -0.047 0.000 2.117 306 D HA -0.099 4.544 4.640 0.004 0.000 0.197 306 D C 1.737 177.992 176.300 -0.075 0.000 0.987 306 D CA 0.830 54.849 54.000 0.031 0.000 0.829 306 D CB -0.090 40.825 40.800 0.193 0.000 0.961 306 D HN 0.169 nan 8.370 nan 0.000 0.460 307 I N 0.268 120.670 120.570 -0.279 0.000 2.264 307 I HA -0.244 3.929 4.170 0.004 0.000 0.248 307 I C 2.205 178.319 176.117 -0.005 0.000 1.111 307 I CA 0.785 61.849 61.300 -0.392 0.000 1.382 307 I CB -0.110 37.513 38.000 -0.629 0.000 1.060 307 I HN 0.062 nan 8.210 nan 0.000 0.418 308 I N -0.162 120.466 120.570 0.097 0.000 2.406 308 I HA -0.199 3.973 4.170 0.004 0.000 0.249 308 I C 2.743 179.019 176.117 0.265 0.000 1.122 308 I CA 0.738 62.202 61.300 0.273 0.000 1.431 308 I CB -0.390 37.731 38.000 0.202 0.000 1.087 308 I HN 0.159 nan 8.210 nan 0.000 0.424 309 R N 1.227 121.825 120.500 0.162 0.000 2.073 309 R HA -0.150 4.193 4.340 0.004 0.000 0.234 309 R C 2.436 178.832 176.300 0.159 0.000 1.134 309 R CA 1.512 57.704 56.100 0.154 0.000 0.952 309 R CB -0.102 30.274 30.300 0.127 0.000 0.850 309 R HN 0.259 nan 8.270 nan 0.000 0.433 310 R N -0.707 119.880 120.500 0.145 0.000 2.115 310 R HA -0.138 4.205 4.340 0.004 0.000 0.230 310 R C 2.138 178.512 176.300 0.124 0.000 1.111 310 R CA 1.348 57.536 56.100 0.146 0.000 0.976 310 R CB -0.293 30.067 30.300 0.100 0.000 0.870 310 R HN 0.228 nan 8.270 nan 0.000 0.445 311 F N 1.962 121.915 119.950 0.004 0.000 2.051 311 F HA -0.184 4.345 4.527 0.004 0.000 0.296 311 F C 1.809 177.587 175.800 -0.037 0.000 1.122 311 F CA 1.589 59.560 58.000 -0.048 0.000 1.201 311 F CB -0.036 38.965 39.000 0.001 0.000 0.978 311 F HN -0.226 nan 8.300 nan 0.000 0.472 312 K N 0.566 120.977 120.400 0.017 0.000 2.209 312 K HA -0.073 4.249 4.320 0.004 0.000 0.204 312 K C 1.272 177.825 176.600 -0.077 0.000 1.048 312 K CA 0.891 57.126 56.287 -0.087 0.000 0.940 312 K CB -0.445 32.119 32.500 0.106 0.000 0.729 312 K HN 0.413 nan 8.250 nan 0.000 0.451 325 N N 1.329 120.124 118.700 0.160 0.000 2.530 325 N HA 0.335 5.077 4.740 0.004 0.000 0.277 325 N C -0.391 175.267 175.510 0.247 0.000 1.168 325 N CA -0.918 52.280 53.050 0.247 0.000 0.979 325 N CB 1.126 39.720 38.487 0.179 0.000 1.141 325 N HN 0.517 nan 8.380 nan 0.000 0.459 326 F N -0.102 119.920 119.950 0.121 0.000 2.693 326 F HA 0.110 4.639 4.527 0.004 0.000 0.303 326 F C 1.111 176.942 175.800 0.052 0.000 1.143 326 F CA -0.358 57.646 58.000 0.007 0.000 1.389 326 F CB 0.063 38.929 39.000 -0.222 0.000 1.060 326 F HN 0.469 nan 8.300 nan 0.000 0.535 327 D N 0.436 120.965 120.400 0.214 0.000 2.277 327 D HA -0.043 4.600 4.640 0.004 0.000 0.208 327 D C 2.120 178.507 176.300 0.145 0.000 0.962 327 D CA 0.701 54.790 54.000 0.148 0.000 0.865 327 D CB 0.094 40.963 40.800 0.115 0.000 0.939 327 D HN 0.268 nan 8.370 nan 0.000 0.510 328 A N -0.706 122.232 122.820 0.196 0.000 2.275 328 A HA 0.098 4.421 4.320 0.004 0.000 0.212 328 A C 1.563 179.271 177.584 0.208 0.000 1.201 328 A CA -0.297 51.858 52.037 0.196 0.000 0.843 328 A CB -0.488 18.642 19.000 0.216 0.000 0.873 328 A HN 0.085 nan 8.150 nan 0.000 0.492 329 F N 1.991 121.914 119.950 -0.044 0.000 2.060 329 F HA -0.023 4.506 4.527 0.004 0.000 0.295 329 F C -0.514 175.243 175.800 -0.071 0.000 1.120 329 F CA 1.936 59.798 58.000 -0.230 0.000 1.205 329 F CB -0.358 38.422 39.000 -0.366 0.000 0.986 329 F HN 0.169 nan 8.300 nan 0.000 0.470 330 P HA -0.117 nan 4.420 nan 0.000 0.228 330 P C 0.183 177.486 177.300 0.006 0.000 1.151 330 P CA 1.437 64.576 63.100 0.066 0.000 0.770 330 P CB -0.163 31.572 31.700 0.058 0.000 0.786 331 D N -0.635 119.767 120.400 0.002 0.000 2.350 331 D HA 0.012 4.654 4.640 0.004 0.000 0.213 331 D C 1.327 177.607 176.300 -0.033 0.000 1.031 331 D CA 0.555 54.551 54.000 -0.006 0.000 0.861 331 D CB 0.351 41.157 40.800 0.010 0.000 0.926 331 D HN 0.155 nan 8.370 nan 0.000 0.520 332 K N -0.117 120.234 120.400 -0.081 0.000 2.438 332 K HA 0.228 4.550 4.320 0.004 0.000 0.206 332 K C -0.860 175.635 176.600 -0.175 0.000 1.081 332 K CA 0.082 56.309 56.287 -0.101 0.000 1.053 332 K CB 1.611 34.105 32.500 -0.010 0.000 0.908 332 K HN -0.208 nan 8.250 nan 0.000 0.556 333 V N 0.661 120.441 119.914 -0.223 0.000 2.752 333 V HA 0.694 4.816 4.120 0.004 0.000 0.302 333 V C -1.519 174.543 176.094 -0.053 0.000 1.133 333 V CA -1.107 61.075 62.300 -0.196 0.000 0.919 333 V CB 1.835 33.279 31.823 -0.632 0.000 1.026 333 V HN 0.075 nan 8.190 nan 0.000 0.429 334 A N 5.750 128.579 122.820 0.016 0.000 2.343 334 A HA 0.931 5.253 4.320 0.004 0.000 0.316 334 A C -0.967 176.676 177.584 0.099 0.000 1.104 334 A CA -0.491 51.575 52.037 0.048 0.000 0.768 334 A CB 1.091 20.044 19.000 -0.079 0.000 1.213 334 A HN 0.762 nan 8.150 nan 0.000 0.456 335 I N 2.583 123.244 120.570 0.151 0.000 2.354 335 I HA 0.209 4.381 4.170 0.004 0.000 0.286 335 I C -0.423 175.803 176.117 0.182 0.000 1.007 335 I CA -0.540 60.853 61.300 0.155 0.000 1.167 335 I CB 1.628 39.693 38.000 0.109 0.000 1.320 335 I HN 0.548 nan 8.210 nan 0.000 0.458 336 Q N 5.800 125.713 119.800 0.187 0.000 2.294 336 Q HA 0.395 4.737 4.340 0.004 0.000 0.257 336 Q C -0.925 175.099 176.000 0.039 0.000 0.955 336 Q CA -0.754 55.171 55.803 0.204 0.000 0.936 336 Q CB 1.718 30.624 28.738 0.280 0.000 1.188 336 Q HN 0.419 nan 8.270 nan 0.000 0.420 337 L N 3.476 124.762 121.223 0.105 0.000 2.257 337 L HA 0.248 4.591 4.340 0.004 0.000 0.290 337 L C 0.282 177.213 176.870 0.102 0.000 1.044 337 L CA -0.228 54.676 54.840 0.107 0.000 0.810 337 L CB 0.535 42.708 42.059 0.191 0.000 1.193 337 L HN 0.370 nan 8.230 nan 0.000 0.425 338 N N 3.755 122.452 118.700 -0.005 0.000 2.500 338 N HA 0.233 4.976 4.740 0.004 0.000 0.236 338 N C -0.523 175.064 175.510 0.128 0.000 1.022 338 N CA 0.210 53.296 53.050 0.060 0.000 0.935 338 N CB 0.125 38.556 38.487 -0.094 0.000 1.147 338 N HN 0.535 nan 8.380 nan 0.000 0.512 339 D N -0.217 120.313 120.400 0.218 0.000 5.703 339 D HA -0.210 4.432 4.640 0.004 0.000 0.317 339 D C 0.354 176.741 176.300 0.145 0.000 2.508 339 D CA 1.367 55.449 54.000 0.137 0.000 1.333 339 D CB -0.249 40.421 40.800 -0.216 0.000 1.145 339 D HN 0.559 nan 8.370 nan 0.000 1.293 340 T N -2.299 112.254 114.554 -0.002 0.000 3.160 340 T HA 0.002 4.354 4.350 0.004 0.000 0.257 340 T C 1.558 176.284 174.700 0.044 0.000 1.147 340 T CA 1.613 63.711 62.100 -0.003 0.000 1.064 340 T CB -0.433 68.422 68.868 -0.022 0.000 0.949 340 T HN 0.485 nan 8.240 nan 0.000 0.526 341 H N 2.658 121.842 119.070 0.190 0.000 2.353 341 H HA -0.007 4.551 4.556 0.004 0.000 0.298 341 H C -0.930 174.506 175.328 0.180 0.000 1.103 341 H CA 1.203 57.371 56.048 0.201 0.000 1.293 341 H CB -1.040 28.837 29.762 0.192 0.000 1.372 341 H HN 0.446 nan 8.280 nan 0.000 0.501 342 P HA 0.074 nan 4.420 nan 0.000 0.249 342 P C 0.688 178.051 177.300 0.105 0.000 1.583 342 P CA 0.327 63.526 63.100 0.166 0.000 0.988 342 P CB 0.302 32.091 31.700 0.149 0.000 1.530 343 S N -0.362 115.394 115.700 0.093 0.000 2.440 343 S HA -0.130 4.343 4.470 0.004 0.000 0.238 343 S C 1.688 176.313 174.600 0.041 0.000 1.010 343 S CA 0.814 59.030 58.200 0.027 0.000 0.972 343 S CB -1.418 61.779 63.200 -0.005 0.000 0.774 343 S HN 0.162 nan 8.310 nan 0.000 0.501 344 L N 0.909 122.175 121.223 0.071 0.000 2.456 344 L HA 0.041 4.384 4.340 0.004 0.000 0.224 344 L C 2.959 179.880 176.870 0.086 0.000 1.148 344 L CA 0.642 55.524 54.840 0.071 0.000 0.825 344 L CB -0.729 41.374 42.059 0.073 0.000 0.937 344 L HN 0.480 nan 8.230 nan 0.000 0.450 345 A N 0.640 123.494 122.820 0.057 0.000 1.940 345 A HA -0.201 4.121 4.320 0.004 0.000 0.219 345 A C 2.173 179.772 177.584 0.025 0.000 1.176 345 A CA 1.538 53.593 52.037 0.030 0.000 0.631 345 A CB -0.488 18.521 19.000 0.015 0.000 0.814 345 A HN 0.365 nan 8.150 nan 0.000 0.446 346 I N -0.074 120.510 120.570 0.024 0.000 2.113 346 I HA -0.163 4.009 4.170 0.004 0.000 0.238 346 I C -0.544 175.605 176.117 0.053 0.000 1.070 346 I CA 1.504 62.816 61.300 0.019 0.000 1.332 346 I CB -1.115 36.894 38.000 0.014 0.000 1.044 346 I HN 0.201 nan 8.210 nan 0.000 0.402 347 P HA -0.182 nan 4.420 nan 0.000 0.218 347 P C 1.372 178.721 177.300 0.082 0.000 1.149 347 P CA 1.324 64.481 63.100 0.095 0.000 0.817 347 P CB 0.044 31.829 31.700 0.142 0.000 0.785 348 E N -0.318 119.986 120.200 0.174 0.000 2.106 348 E HA -0.158 4.194 4.350 0.004 0.000 0.192 348 E C 1.819 178.427 176.600 0.015 0.000 0.984 348 E CA 0.765 57.285 56.400 0.200 0.000 0.806 348 E CB -1.219 28.663 29.700 0.302 0.000 0.750 348 E HN -0.051 nan 8.360 nan 0.000 0.458 349 L N 0.054 121.257 121.223 -0.034 0.000 2.042 349 L HA -0.139 4.203 4.340 0.004 0.000 0.210 349 L C 2.139 178.904 176.870 -0.176 0.000 1.076 349 L CA 1.797 56.563 54.840 -0.124 0.000 0.749 349 L CB -0.560 41.426 42.059 -0.122 0.000 0.893 349 L HN 0.282 nan 8.230 nan 0.000 0.432 350 M N -1.140 118.374 119.600 -0.144 0.000 2.159 350 M HA -0.189 4.293 4.480 0.004 0.000 0.263 350 M C 2.404 178.586 176.300 -0.198 0.000 1.063 350 M CA 1.401 56.575 55.300 -0.211 0.000 1.110 350 M CB -1.153 31.323 32.600 -0.205 0.000 1.374 350 M HN 0.311 nan 8.290 nan 0.000 0.411 351 R N -0.009 120.391 120.500 -0.166 0.000 2.073 351 R HA -0.112 4.230 4.340 0.004 0.000 0.234 351 R C 1.990 178.202 176.300 -0.146 0.000 1.134 351 R CA 1.500 57.493 56.100 -0.178 0.000 0.952 351 R CB -0.098 30.035 30.300 -0.277 0.000 0.850 351 R HN 0.209 nan 8.270 nan 0.000 0.433 352 V N 1.221 121.048 119.914 -0.145 0.000 2.515 352 V HA -0.202 3.920 4.120 0.004 0.000 0.250 352 V C 2.241 178.186 176.094 -0.248 0.000 1.058 352 V CA 1.421 63.626 62.300 -0.158 0.000 1.064 352 V CB -0.285 31.452 31.823 -0.144 0.000 0.675 352 V HN 0.332 nan 8.190 nan 0.000 0.461 353 L N -0.934 120.102 121.223 -0.312 0.000 2.127 353 L HA -0.026 4.317 4.340 0.004 0.000 0.203 353 L C 2.365 179.063 176.870 -0.288 0.000 1.080 353 L CA 0.690 55.278 54.840 -0.420 0.000 0.768 353 L CB -0.425 41.339 42.059 -0.493 0.000 0.924 353 L HN 0.176 nan 8.230 nan 0.000 0.444 354 V N -0.285 119.509 119.914 -0.201 0.000 2.273 354 V HA -0.205 3.917 4.120 0.004 0.000 0.242 354 V C 2.016 178.072 176.094 -0.063 0.000 1.035 354 V CA 1.786 64.031 62.300 -0.092 0.000 1.013 354 V CB -0.421 31.405 31.823 0.005 0.000 0.652 354 V HN 0.341 nan 8.190 nan 0.000 0.452 355 D N -0.039 120.321 120.400 -0.067 0.000 2.091 355 D HA -0.079 4.564 4.640 0.004 0.000 0.199 355 D C 1.933 178.200 176.300 -0.056 0.000 0.980 355 D CA 1.182 55.153 54.000 -0.048 0.000 0.831 355 D CB -0.197 40.572 40.800 -0.051 0.000 0.987 355 D HN 0.194 nan 8.370 nan 0.000 0.460 356 L N 0.567 121.742 121.223 -0.080 0.000 2.130 356 L HA 0.040 4.383 4.340 0.004 0.000 0.200 356 L C 2.011 178.826 176.870 -0.091 0.000 1.075 356 L CA 1.220 56.019 54.840 -0.069 0.000 0.768 356 L CB -0.539 41.484 42.059 -0.061 0.000 0.933 356 L HN -0.140 nan 8.230 nan 0.000 0.451 357 E N -0.074 120.022 120.200 -0.173 0.000 2.427 357 E HA -0.087 4.265 4.350 0.004 0.000 0.196 357 E C 0.553 177.054 176.600 -0.165 0.000 1.028 357 E CA 0.065 56.328 56.400 -0.228 0.000 0.864 357 E CB 0.025 29.390 29.700 -0.559 0.000 0.813 357 E HN 0.096 nan 8.360 nan 0.000 0.514 358 R N -0.715 119.711 120.500 -0.123 0.000 3.875 358 R HA -0.154 4.188 4.340 0.004 0.000 0.321 358 R C 0.038 176.300 176.300 -0.064 0.000 1.196 358 R CA 0.211 56.272 56.100 -0.066 0.000 0.868 358 R CB -1.808 28.475 30.300 -0.029 0.000 1.333 358 R HN 0.095 nan 8.270 nan 0.000 0.522 359 L N 0.839 121.989 121.223 -0.121 0.000 2.468 359 L HA 0.137 4.480 4.340 0.004 0.000 0.253 359 L C 1.227 178.079 176.870 -0.031 0.000 1.237 359 L CA 0.759 55.544 54.840 -0.092 0.000 0.823 359 L CB 0.093 42.049 42.059 -0.172 0.000 1.124 359 L HN 0.327 nan 8.230 nan 0.000 0.504 360 D N -1.750 118.655 120.400 0.009 0.000 2.326 360 D HA -0.008 4.634 4.640 0.004 0.000 0.248 360 D C 0.565 176.934 176.300 0.115 0.000 1.001 360 D CA -0.611 53.435 54.000 0.077 0.000 0.961 360 D CB 1.067 41.918 40.800 0.085 0.000 1.183 360 D HN 0.494 nan 8.370 nan 0.000 0.502 361 W N 0.494 121.794 121.300 -0.001 0.000 2.421 361 W HA -0.093 4.570 4.660 0.004 0.000 0.270 361 W C 1.237 177.800 176.519 0.073 0.000 1.233 361 W CA 1.210 58.561 57.345 0.010 0.000 1.226 361 W CB 0.146 29.586 29.460 -0.033 0.000 1.121 361 W HN 0.461 nan 8.180 nan 0.000 0.579 362 D N -1.040 119.519 120.400 0.265 0.000 2.183 362 D HA -0.093 4.550 4.640 0.004 0.000 0.205 362 D C 1.877 178.273 176.300 0.160 0.000 0.962 362 D CA 1.069 55.211 54.000 0.236 0.000 0.849 362 D CB -0.117 40.798 40.800 0.191 0.000 0.978 362 D HN -0.028 nan 8.370 nan 0.000 0.488 363 K N 0.670 121.123 120.400 0.089 0.000 2.031 363 K HA 0.089 4.411 4.320 0.004 0.000 0.205 363 K C 1.873 178.464 176.600 -0.016 0.000 1.049 363 K CA 1.107 57.417 56.287 0.039 0.000 0.939 363 K CB -0.247 32.268 32.500 0.024 0.000 0.717 363 K HN 0.009 nan 8.250 nan 0.000 0.438 364 A N 0.324 123.099 122.820 -0.075 0.000 1.972 364 A HA -0.192 4.131 4.320 0.004 0.000 0.219 364 A C 2.072 179.577 177.584 -0.130 0.000 1.169 364 A CA 1.325 53.257 52.037 -0.175 0.000 0.635 364 A CB -0.962 17.872 19.000 -0.277 0.000 0.810 364 A HN 0.690 nan 8.150 nan 0.000 0.446 365 W N 0.650 121.766 121.300 -0.307 0.000 2.407 365 W HA -0.139 4.523 4.660 0.004 0.000 0.305 365 W C 2.018 178.466 176.519 -0.118 0.000 1.196 365 W CA 1.545 58.725 57.345 -0.275 0.000 1.311 365 W CB -0.104 29.218 29.460 -0.230 0.000 1.135 365 W HN 0.617 nan 8.180 nan 0.000 0.514 366 E N 0.394 120.560 120.200 -0.057 0.000 2.058 366 E HA -0.244 4.108 4.350 0.004 0.000 0.194 366 E C 1.963 178.477 176.600 -0.144 0.000 0.997 366 E CA 2.139 58.471 56.400 -0.113 0.000 0.801 366 E CB -0.439 29.258 29.700 -0.004 0.000 0.746 366 E HN 0.078 nan 8.360 nan 0.000 0.450 367 V N 0.976 120.827 119.914 -0.105 0.000 2.343 367 V HA -0.265 3.857 4.120 0.004 0.000 0.247 367 V C 2.450 178.476 176.094 -0.112 0.000 1.051 367 V CA 2.217 64.473 62.300 -0.074 0.000 1.036 367 V CB -0.820 30.948 31.823 -0.092 0.000 0.654 367 V HN 0.401 nan 8.190 nan 0.000 0.451 368 T N 0.004 114.425 114.554 -0.222 0.000 2.643 368 T HA -0.168 4.185 4.350 0.004 0.000 0.264 368 T C 1.944 176.459 174.700 -0.308 0.000 1.045 368 T CA 1.769 63.712 62.100 -0.261 0.000 1.155 368 T CB -0.329 68.352 68.868 -0.312 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.420 369 V N 1.536 121.125 119.914 -0.541 0.000 2.568 369 V HA -0.156 3.966 4.120 0.004 0.000 0.253 369 V C 2.305 178.352 176.094 -0.078 0.000 1.072 369 V CA 1.554 63.598 62.300 -0.427 0.000 1.084 369 V CB -0.520 30.950 31.823 -0.588 0.000 0.676 369 V HN 0.468 nan 8.190 nan 0.000 0.469 370 K N -0.883 119.483 120.400 -0.056 0.000 2.356 370 K HA 0.018 4.340 4.320 0.004 0.000 0.195 370 K C 2.085 178.765 176.600 0.134 0.000 1.037 370 K CA 0.931 57.230 56.287 0.020 0.000 1.014 370 K CB 0.046 32.501 32.500 -0.074 0.000 0.815 370 K HN 0.428 nan 8.250 nan 0.000 0.507 371 T N 0.579 115.206 114.554 0.121 0.000 2.942 371 T HA -0.007 4.345 4.350 0.004 0.000 0.265 371 T C 0.903 175.721 174.700 0.198 0.000 1.062 371 T CA 0.551 62.749 62.100 0.164 0.000 1.139 371 T CB 0.060 69.042 68.868 0.189 0.000 0.883 371 T HN 0.146 nan 8.240 nan 0.000 0.468 372 C N 2.562 121.954 119.300 0.153 0.000 2.319 372 C HA 0.864 5.326 4.460 0.004 0.000 0.335 372 C C 0.470 175.468 174.990 0.013 0.000 1.274 372 C CA -1.377 57.695 59.018 0.090 0.000 1.806 372 C CB -0.043 27.701 27.740 0.006 0.000 2.329 372 C HN 0.538 nan 8.230 nan 0.000 0.524 373 A N 2.993 125.851 122.820 0.063 0.000 2.371 373 A HA 0.737 5.059 4.320 0.004 0.000 0.311 373 A C -1.318 176.346 177.584 0.133 0.000 1.068 373 A CA -0.359 51.669 52.037 -0.014 0.000 0.744 373 A CB 0.855 19.905 19.000 0.083 0.000 1.239 373 A HN 0.865 nan 8.150 nan 0.000 0.435 374 Y N 1.227 121.487 120.300 -0.068 0.000 2.496 374 Y HA 0.753 5.305 4.550 0.004 0.000 0.331 374 Y C -0.329 175.580 175.900 0.014 0.000 1.140 374 Y CA -0.626 57.453 58.100 -0.035 0.000 1.166 374 Y CB 2.038 40.432 38.460 -0.109 0.000 1.249 374 Y HN 0.551 nan 8.280 nan 0.000 0.479 375 T N 5.637 119.886 114.554 -0.509 0.000 2.879 375 T HA 0.235 4.587 4.350 0.004 0.000 0.290 375 T C -1.385 172.857 174.700 -0.763 0.000 0.993 375 T CA -0.933 60.871 62.100 -0.492 0.000 0.975 375 T CB 0.623 69.480 68.868 -0.018 0.000 0.981 375 T HN 0.654 nan 8.240 nan 0.000 0.439 376 N N 1.404 119.705 118.700 -0.665 0.000 2.430 376 N HA 0.241 4.983 4.740 0.004 0.000 0.292 376 N C -0.359 175.065 175.510 -0.143 0.000 1.051 376 N CA -0.295 52.594 53.050 -0.268 0.000 0.917 376 N CB 1.119 39.595 38.487 -0.019 0.000 1.164 376 N HN 0.657 nan 8.380 nan 0.000 0.484 377 H N -0.066 119.032 119.070 0.047 0.000 2.784 377 H HA 0.187 4.745 4.556 0.004 0.000 0.273 377 H C -0.089 175.180 175.328 -0.100 0.000 1.112 377 H CA -0.099 55.912 56.048 -0.062 0.000 1.162 377 H CB 0.708 30.452 29.762 -0.030 0.000 1.586 377 H HN 0.561 nan 8.280 nan 0.000 0.548 378 T N -3.317 111.308 114.554 0.120 0.000 2.940 378 T HA 0.412 4.764 4.350 0.004 0.000 0.288 378 T C 0.612 175.379 174.700 0.112 0.000 1.045 378 T CA -0.541 61.604 62.100 0.075 0.000 1.018 378 T CB 1.980 70.895 68.868 0.079 0.000 1.151 378 T HN -0.047 nan 8.240 nan 0.000 0.529 379 V N -0.493 119.434 119.914 0.022 0.000 3.408 379 V HA 0.501 4.623 4.120 0.004 0.000 0.263 379 V C -0.280 175.784 176.094 -0.051 0.000 1.503 379 V CA -0.208 62.100 62.300 0.013 0.000 1.046 379 V CB 0.065 31.875 31.823 -0.022 0.000 0.851 379 V HN 0.840 nan 8.190 nan 0.000 0.435 380 I N 1.213 121.743 120.570 -0.066 0.000 2.404 380 I HA 0.516 4.689 4.170 0.004 0.000 0.293 380 I C -1.410 174.667 176.117 -0.067 0.000 0.992 380 I CA -2.148 59.108 61.300 -0.073 0.000 1.149 380 I CB 2.237 40.190 38.000 -0.078 0.000 1.315 380 I HN -0.009 nan 8.210 nan 0.000 0.446 381 P HA -0.204 nan 4.420 nan 0.000 0.215 381 P C 0.108 177.381 177.300 -0.045 0.000 1.163 381 P CA 1.478 64.534 63.100 -0.074 0.000 0.894 381 P CB 0.057 31.723 31.700 -0.057 0.000 0.791 382 E N -0.942 119.238 120.200 -0.035 0.000 2.321 382 E HA 0.239 4.591 4.350 0.004 0.000 0.189 382 E C 1.162 177.746 176.600 -0.027 0.000 1.125 382 E CA 0.290 56.673 56.400 -0.028 0.000 1.005 382 E CB -0.778 28.908 29.700 -0.022 0.000 1.140 382 E HN 0.223 nan 8.360 nan 0.000 0.457 383 A N 0.267 123.074 122.820 -0.022 0.000 2.288 383 A HA 0.235 4.558 4.320 0.004 0.000 0.216 383 A C 0.535 178.123 177.584 0.007 0.000 1.199 383 A CA -0.342 51.690 52.037 -0.007 0.000 0.891 383 A CB 0.165 19.162 19.000 -0.004 0.000 0.923 383 A HN 0.231 nan 8.150 nan 0.000 0.500 384 L N 1.093 122.319 121.223 0.005 0.000 2.426 384 L HA 0.186 4.528 4.340 0.004 0.000 0.271 384 L C 0.648 177.490 176.870 -0.047 0.000 1.169 384 L CA -0.214 54.637 54.840 0.019 0.000 0.836 384 L CB 0.446 42.530 42.059 0.042 0.000 1.112 384 L HN 0.342 nan 8.230 nan 0.000 0.465 385 E N 3.089 123.259 120.200 -0.051 0.000 2.373 385 E HA 0.238 4.591 4.350 0.004 0.000 0.267 385 E C -0.746 175.723 176.600 -0.217 0.000 1.032 385 E CA -0.220 56.094 56.400 -0.143 0.000 0.889 385 E CB 0.625 30.297 29.700 -0.047 0.000 0.984 385 E HN 0.418 nan 8.360 nan 0.000 0.425 386 R N 3.889 124.138 120.500 -0.419 0.000 2.508 386 R HA 0.222 4.564 4.340 0.004 0.000 0.283 386 R C -1.721 174.305 176.300 -0.457 0.000 1.120 386 R CA -0.553 55.360 56.100 -0.312 0.000 0.958 386 R CB 1.067 31.261 30.300 -0.177 0.000 1.215 386 R HN 0.511 nan 8.270 nan 0.000 0.427 387 W N 4.435 125.722 121.300 -0.023 0.000 2.529 387 W HA 0.400 5.063 4.660 0.004 0.000 0.321 387 W C -2.084 174.394 176.519 -0.069 0.000 1.047 387 W CA -2.209 55.107 57.345 -0.048 0.000 1.216 387 W CB 1.442 30.867 29.460 -0.058 0.000 1.357 387 W HN 0.294 nan 8.180 nan 0.000 0.489 388 P HA -0.090 nan 4.420 nan 0.000 0.269 388 P C 0.813 178.074 177.300 -0.065 0.000 1.209 388 P CA 0.083 63.184 63.100 0.002 0.000 0.776 388 P CB 0.790 32.406 31.700 -0.140 0.000 0.876 389 V N 1.514 121.431 119.914 0.005 0.000 2.379 389 V HA -0.250 3.873 4.120 0.004 0.000 0.245 389 V C 2.088 178.175 176.094 -0.012 0.000 1.044 389 V CA 2.133 64.441 62.300 0.014 0.000 1.036 389 V CB -2.253 29.640 31.823 0.116 0.000 0.664 389 V HN 0.657 nan 8.190 nan 0.000 0.453 390 H N 0.273 119.392 119.070 0.082 0.000 2.394 390 H HA -0.198 4.360 4.556 0.004 0.000 0.297 390 H C 2.099 177.464 175.328 0.061 0.000 1.113 390 H CA 2.406 58.497 56.048 0.071 0.000 1.277 390 H CB -0.792 29.013 29.762 0.071 0.000 1.370 390 H HN 0.448 nan 8.280 nan 0.000 0.506 391 L N -0.695 120.256 121.223 -0.454 0.000 2.072 391 L HA -0.092 4.250 4.340 0.004 0.000 0.205 391 L C 2.016 178.801 176.870 -0.142 0.000 1.079 391 L CA 0.760 55.460 54.840 -0.233 0.000 0.752 391 L CB -0.191 41.694 42.059 -0.289 0.000 0.906 391 L HN 0.313 nan 8.230 nan 0.000 0.436 392 L N 0.306 121.436 121.223 -0.155 0.000 2.046 392 L HA -0.258 4.084 4.340 0.004 0.000 0.208 392 L C 2.458 179.255 176.870 -0.121 0.000 1.077 392 L CA 1.703 56.444 54.840 -0.166 0.000 0.747 392 L CB -1.065 40.898 42.059 -0.159 0.000 0.896 392 L HN 0.337 nan 8.230 nan 0.000 0.432 393 E N -1.409 118.755 120.200 -0.061 0.000 2.118 393 E HA -0.220 4.133 4.350 0.004 0.000 0.195 393 E C 1.806 178.427 176.600 0.035 0.000 0.992 393 E CA 1.796 58.192 56.400 -0.007 0.000 0.804 393 E CB 0.179 29.912 29.700 0.056 0.000 0.741 393 E HN 0.487 nan 8.360 nan 0.000 0.458 394 T N 0.790 115.378 114.554 0.057 0.000 2.770 394 T HA -0.094 4.258 4.350 0.004 0.000 0.258 394 T C 1.823 176.588 174.700 0.108 0.000 1.039 394 T CA 1.477 63.658 62.100 0.135 0.000 1.143 394 T CB -0.114 68.864 68.868 0.183 0.000 0.866 394 T HN 0.249 nan 8.240 nan 0.000 0.428 395 L N -1.261 119.920 121.223 -0.070 0.000 2.354 395 L HA 0.380 4.722 4.340 0.004 0.000 0.212 395 L C 0.349 177.133 176.870 -0.142 0.000 1.091 395 L CA 0.698 55.373 54.840 -0.275 0.000 0.828 395 L CB -0.193 41.571 42.059 -0.492 0.000 0.973 395 L HN 0.018 nan 8.230 nan 0.000 0.461 396 L N 2.106 123.217 121.223 -0.187 0.000 2.637 396 L HA 0.408 4.750 4.340 0.004 0.000 0.241 396 L C -1.739 174.967 176.870 -0.274 0.000 1.398 396 L CA -1.502 53.166 54.840 -0.287 0.000 0.895 396 L CB 0.359 42.115 42.059 -0.504 0.000 1.183 396 L HN -0.035 nan 8.230 nan 0.000 0.497 397 P HA -0.186 nan 4.420 nan 0.000 0.216 397 P C 1.522 178.637 177.300 -0.308 0.000 1.150 397 P CA 1.140 64.124 63.100 -0.193 0.000 0.837 397 P CB 0.582 32.237 31.700 -0.075 0.000 0.786 398 R N -0.214 119.934 120.500 -0.587 0.000 2.073 398 R HA -0.107 4.236 4.340 0.004 0.000 0.229 398 R C 2.562 178.565 176.300 -0.494 0.000 1.120 398 R CA 1.445 57.186 56.100 -0.598 0.000 0.967 398 R CB -1.434 28.311 30.300 -0.924 0.000 0.862 398 R HN 0.232 nan 8.270 nan 0.000 0.436 399 H N 0.370 119.133 119.070 -0.513 0.000 2.387 399 H HA -0.141 4.417 4.556 0.004 0.000 0.299 399 H C 2.012 177.173 175.328 -0.279 0.000 1.099 399 H CA 1.666 57.500 56.048 -0.356 0.000 1.315 399 H CB -0.081 29.438 29.762 -0.405 0.000 1.380 399 H HN 0.227 nan 8.280 nan 0.000 0.513 400 L N 0.940 122.037 121.223 -0.210 0.000 1.994 400 L HA -0.242 4.100 4.340 0.004 0.000 0.208 400 L C 2.433 179.086 176.870 -0.361 0.000 1.071 400 L CA 1.477 56.112 54.840 -0.341 0.000 0.745 400 L CB -0.323 41.529 42.059 -0.345 0.000 0.892 400 L HN 0.335 nan 8.230 nan 0.000 0.431 401 Q N -0.380 119.306 119.800 -0.190 0.000 2.135 401 Q HA -0.235 4.107 4.340 0.004 0.000 0.204 401 Q C 2.111 178.107 176.000 -0.007 0.000 0.981 401 Q CA 1.600 57.380 55.803 -0.038 0.000 0.856 401 Q CB -0.106 28.628 28.738 -0.007 0.000 0.902 401 Q HN 0.576 nan 8.270 nan 0.000 0.425 402 I N 0.090 120.643 120.570 -0.029 0.000 2.252 402 I HA -0.262 3.910 4.170 0.004 0.000 0.245 402 I C 2.087 178.279 176.117 0.126 0.000 1.102 402 I CA 0.974 62.339 61.300 0.108 0.000 1.385 402 I CB -0.161 37.870 38.000 0.053 0.000 1.064 402 I HN 0.173 nan 8.210 nan 0.000 0.414 403 I N -0.300 120.273 120.570 0.005 0.000 2.179 403 I HA -0.329 3.844 4.170 0.004 0.000 0.242 403 I C 2.432 178.605 176.117 0.094 0.000 1.088 403 I CA 1.499 62.807 61.300 0.013 0.000 1.357 403 I CB -0.414 37.535 38.000 -0.085 0.000 1.051 403 I HN 0.149 nan 8.210 nan 0.000 0.409 404 Y N 0.775 121.085 120.300 0.016 0.000 2.207 404 Y HA -0.276 4.276 4.550 0.004 0.000 0.287 404 Y C 2.592 178.457 175.900 -0.058 0.000 1.156 404 Y CA 1.496 59.589 58.100 -0.012 0.000 1.182 404 Y CB -0.802 37.641 38.460 -0.029 0.000 0.979 404 Y HN 0.225 nan 8.280 nan 0.000 0.521 405 E N 0.340 120.572 120.200 0.054 0.000 2.047 405 E HA -0.136 4.216 4.350 0.004 0.000 0.191 405 E C 2.184 178.683 176.600 -0.169 0.000 0.987 405 E CA 1.223 57.491 56.400 -0.220 0.000 0.799 405 E CB -0.588 28.798 29.700 -0.523 0.000 0.752 405 E HN 0.442 nan 8.360 nan 0.000 0.449 406 I N 0.888 121.519 120.570 0.101 0.000 2.151 406 I HA -0.332 3.840 4.170 0.004 0.000 0.243 406 I C 2.273 178.434 176.117 0.073 0.000 1.080 406 I CA 1.589 62.932 61.300 0.072 0.000 1.339 406 I CB -0.385 37.633 38.000 0.029 0.000 1.039 406 I HN 0.226 nan 8.210 nan 0.000 0.409 407 N N 0.405 119.185 118.700 0.133 0.000 2.120 407 N HA -0.260 4.482 4.740 0.004 0.000 0.188 407 N C 1.865 177.488 175.510 0.188 0.000 1.024 407 N CA 1.526 54.704 53.050 0.213 0.000 0.852 407 N CB -0.123 38.496 38.487 0.220 0.000 1.003 407 N HN 0.324 nan 8.380 nan 0.000 0.424 408 Q N 0.011 119.855 119.800 0.073 0.000 2.046 408 Q HA -0.099 4.244 4.340 0.004 0.000 0.200 408 Q C 1.986 177.989 176.000 0.004 0.000 0.975 408 Q CA 1.118 56.926 55.803 0.008 0.000 0.836 408 Q CB 0.020 28.717 28.738 -0.068 0.000 0.896 408 Q HN 0.437 nan 8.270 nan 0.000 0.428 409 R N -0.343 120.143 120.500 -0.025 0.000 2.080 409 R HA -0.170 4.172 4.340 0.004 0.000 0.236 409 R C 2.269 178.625 176.300 0.092 0.000 1.137 409 R CA 1.482 57.578 56.100 -0.006 0.000 0.943 409 R CB -0.807 29.461 30.300 -0.053 0.000 0.846 409 R HN 0.271 nan 8.270 nan 0.000 0.431 410 F N 2.043 122.004 119.950 0.019 0.000 2.065 410 F HA -0.194 4.335 4.527 0.004 0.000 0.298 410 F C 2.107 177.952 175.800 0.076 0.000 1.112 410 F CA 1.528 59.588 58.000 0.100 0.000 1.212 410 F CB -0.365 38.729 39.000 0.158 0.000 0.975 410 F HN -0.103 nan 8.300 nan 0.000 0.476 411 L N -0.070 121.165 121.223 0.020 0.000 2.131 411 L HA -0.245 4.097 4.340 0.004 0.000 0.210 411 L C 2.083 178.890 176.870 -0.105 0.000 1.092 411 L CA 1.616 56.401 54.840 -0.092 0.000 0.759 411 L CB -0.971 41.102 42.059 0.023 0.000 0.903 411 L HN 0.245 nan 8.230 nan 0.000 0.435 412 N N 0.255 118.919 118.700 -0.059 0.000 2.036 412 N HA -0.233 4.510 4.740 0.004 0.000 0.195 412 N C 1.839 177.310 175.510 -0.065 0.000 1.037 412 N CA 1.684 54.704 53.050 -0.050 0.000 0.855 412 N CB -0.067 38.402 38.487 -0.030 0.000 1.033 412 N HN 0.379 nan 8.380 nan 0.000 0.423 413 R N 0.349 120.797 120.500 -0.087 0.000 2.189 413 R HA 0.009 4.351 4.340 0.004 0.000 0.223 413 R C 1.744 177.973 176.300 -0.119 0.000 1.092 413 R CA 0.872 56.921 56.100 -0.085 0.000 0.989 413 R CB -0.517 29.761 30.300 -0.037 0.000 0.876 413 R HN 0.074 nan 8.270 nan 0.000 0.457 414 V N 1.809 121.600 119.914 -0.206 0.000 2.295 414 V HA -0.202 3.920 4.120 0.004 0.000 0.246 414 V C 2.699 178.814 176.094 0.035 0.000 1.049 414 V CA 1.971 64.207 62.300 -0.107 0.000 1.024 414 V CB -0.761 30.914 31.823 -0.247 0.000 0.648 414 V HN 0.510 nan 8.190 nan 0.000 0.447 415 A N -0.047 122.761 122.820 -0.020 0.000 1.969 415 A HA -0.009 4.313 4.320 0.004 0.000 0.218 415 A C 2.390 179.977 177.584 0.004 0.000 1.169 415 A CA 1.894 53.936 52.037 0.007 0.000 0.635 415 A CB -0.661 18.329 19.000 -0.017 0.000 0.810 415 A HN 0.551 nan 8.150 nan 0.000 0.445 416 A N 0.173 122.979 122.820 -0.024 0.000 1.828 416 A HA 0.172 4.494 4.320 0.004 0.000 0.215 416 A C 2.491 180.024 177.584 -0.085 0.000 1.203 416 A CA 2.091 54.102 52.037 -0.044 0.000 0.614 416 A CB -1.302 17.671 19.000 -0.044 0.000 0.844 416 A HN 1.174 nan 8.150 nan 0.000 0.445 417 A N -2.215 120.531 122.820 -0.124 0.000 2.186 417 A HA 0.178 4.500 4.320 0.004 0.000 0.219 417 A C 0.361 177.560 177.584 -0.642 0.000 1.159 417 A CA 0.816 52.653 52.037 -0.334 0.000 0.680 417 A CB -0.533 18.276 19.000 -0.319 0.000 0.787 417 A HN 0.454 nan 8.150 nan 0.000 0.467 418 F N 0.177 120.086 119.950 -0.068 0.000 2.931 418 F HA 0.287 4.816 4.527 0.004 0.000 0.375 418 F C -2.501 173.268 175.800 -0.053 0.000 1.243 418 F CA -2.349 55.614 58.000 -0.061 0.000 1.206 418 F CB 1.438 40.394 39.000 -0.074 0.000 1.643 418 F HN -0.057 nan 8.300 nan 0.000 0.593 419 P HA 0.084 nan 4.420 nan 0.000 0.266 419 P C 0.964 178.294 177.300 0.049 0.000 1.195 419 P CA 0.972 64.094 63.100 0.035 0.000 0.768 419 P CB 1.116 32.818 31.700 0.004 0.000 0.838 420 G N 2.092 110.909 108.800 0.027 0.000 2.205 420 G HA2 -0.278 3.684 3.960 0.004 0.000 0.269 420 G HA3 -0.278 3.684 3.960 0.004 0.000 0.269 420 G C 0.324 175.234 174.900 0.017 0.000 0.977 420 G CA 0.451 45.561 45.100 0.017 0.000 0.652 420 G HN 0.639 nan 8.290 nan 0.000 0.539 421 D N 0.715 121.134 120.400 0.032 0.000 2.551 421 D HA 0.418 5.060 4.640 0.004 0.000 0.223 421 D C 1.769 178.053 176.300 -0.027 0.000 1.144 421 D CA 0.156 54.158 54.000 0.003 0.000 1.025 421 D CB 0.333 41.138 40.800 0.009 0.000 1.085 421 D HN 0.124 nan 8.370 nan 0.000 0.506 422 V N 1.963 121.863 119.914 -0.022 0.000 2.667 422 V HA -0.133 3.989 4.120 0.004 0.000 0.252 422 V C 1.909 177.983 176.094 -0.035 0.000 1.065 422 V CA 0.993 63.278 62.300 -0.025 0.000 1.083 422 V CB -0.187 31.627 31.823 -0.016 0.000 0.692 422 V HN 0.419 nan 8.190 nan 0.000 0.468 423 D N 0.212 120.586 120.400 -0.043 0.000 2.178 423 D HA -0.145 4.497 4.640 0.004 0.000 0.202 423 D C 2.311 178.568 176.300 -0.072 0.000 0.974 423 D CA 1.057 55.029 54.000 -0.047 0.000 0.841 423 D CB 0.041 40.813 40.800 -0.046 0.000 0.953 423 D HN 0.368 nan 8.370 nan 0.000 0.478 424 R N 0.195 120.625 120.500 -0.116 0.000 2.127 424 R HA -0.056 4.286 4.340 0.004 0.000 0.217 424 R C 2.106 178.316 176.300 -0.151 0.000 1.074 424 R CA 0.225 56.215 56.100 -0.184 0.000 0.991 424 R CB 0.045 30.153 30.300 -0.320 0.000 0.895 424 R HN 0.013 nan 8.270 nan 0.000 0.450 425 L N 1.076 122.240 121.223 -0.099 0.000 2.027 425 L HA -0.134 4.208 4.340 0.004 0.000 0.206 425 L C 1.925 178.785 176.870 -0.017 0.000 1.074 425 L CA 1.788 56.590 54.840 -0.063 0.000 0.745 425 L CB -0.463 41.572 42.059 -0.040 0.000 0.898 425 L HN 0.174 nan 8.230 nan 0.000 0.433 426 R N -1.390 119.107 120.500 -0.005 0.000 2.346 426 R HA 0.106 4.449 4.340 0.004 0.000 0.225 426 R C 1.667 177.995 176.300 0.047 0.000 0.987 426 R CA 0.351 56.470 56.100 0.031 0.000 1.106 426 R CB -0.355 29.961 30.300 0.027 0.000 1.090 426 R HN 0.208 nan 8.270 nan 0.000 0.502 427 R N -0.097 120.413 120.500 0.017 0.000 2.191 427 R HA 0.294 4.637 4.340 0.004 0.000 0.196 427 R C 1.543 177.870 176.300 0.044 0.000 0.991 427 R CA 0.508 56.635 56.100 0.044 0.000 1.075 427 R CB 0.123 30.417 30.300 -0.009 0.000 1.040 427 R HN 0.236 nan 8.270 nan 0.000 0.526 428 M N 0.669 120.221 119.600 -0.080 0.000 2.556 428 M HA 0.081 4.563 4.480 0.004 0.000 0.245 428 M C 0.777 177.166 176.300 0.150 0.000 1.128 428 M CA 0.142 55.321 55.300 -0.201 0.000 1.069 428 M CB 0.521 32.849 32.600 -0.455 0.000 1.469 428 M HN -0.094 nan 8.290 nan 0.000 0.494 429 S N 1.126 116.945 115.700 0.198 0.000 2.560 429 S HA 0.100 4.572 4.470 0.004 0.000 0.284 429 S C 1.142 175.978 174.600 0.393 0.000 1.327 429 S CA -0.364 58.003 58.200 0.277 0.000 1.055 429 S CB 0.562 63.876 63.200 0.190 0.000 0.868 429 S HN 0.395 nan 8.310 nan 0.000 0.506 430 L N 4.204 125.638 121.223 0.350 0.000 2.376 430 L HA 0.082 4.425 4.340 0.004 0.000 0.219 430 L C 0.321 177.336 176.870 0.242 0.000 1.133 430 L CA 0.299 55.321 54.840 0.304 0.000 0.816 430 L CB -0.565 41.621 42.059 0.211 0.000 0.933 430 L HN 0.408 nan 8.230 nan 0.000 0.449 431 V N 1.102 121.159 119.914 0.237 0.000 2.270 431 V HA 0.173 4.296 4.120 0.004 0.000 0.263 431 V C 0.305 176.502 176.094 0.172 0.000 1.066 431 V CA -0.512 61.913 62.300 0.208 0.000 0.857 431 V CB 0.690 32.648 31.823 0.225 0.000 1.099 431 V HN 0.205 nan 8.190 nan 0.000 0.476 432 E N 3.331 123.622 120.200 0.153 0.000 2.349 432 E HA 0.418 4.770 4.350 0.004 0.000 0.265 432 E C -0.380 176.281 176.600 0.102 0.000 1.064 432 E CA -0.339 56.137 56.400 0.127 0.000 0.886 432 E CB 1.121 30.885 29.700 0.106 0.000 1.036 432 E HN 0.658 nan 8.360 nan 0.000 0.413 433 E N 0.805 121.056 120.200 0.085 0.000 2.246 433 E HA 0.481 4.833 4.350 0.004 0.000 0.266 433 E C -0.346 176.288 176.600 0.056 0.000 0.880 433 E CA -0.583 55.859 56.400 0.070 0.000 0.762 433 E CB 2.129 31.866 29.700 0.061 0.000 1.180 433 E HN 0.637 nan 8.360 nan 0.000 0.416 434 G N 0.827 109.659 108.800 0.054 0.000 3.100 434 G HA2 0.451 4.413 3.960 0.004 0.000 0.174 434 G HA3 0.451 4.413 3.960 0.004 0.000 0.174 434 G C 0.527 175.452 174.900 0.042 0.000 1.136 434 G CA 0.182 45.307 45.100 0.043 0.000 0.881 434 G HN 0.421 nan 8.290 nan 0.000 0.616 435 A N -0.964 121.879 122.820 0.038 0.000 1.865 435 A HA 0.315 4.637 4.320 0.004 0.000 0.217 435 A C 1.049 178.663 177.584 0.051 0.000 1.191 435 A CA 1.972 54.031 52.037 0.037 0.000 0.623 435 A CB -0.796 18.222 19.000 0.031 0.000 0.826 435 A HN 0.934 nan 8.150 nan 0.000 0.444 436 V N -0.194 119.759 119.914 0.066 0.000 2.630 436 V HA 0.312 4.434 4.120 0.004 0.000 0.305 436 V C 0.138 176.292 176.094 0.100 0.000 1.046 436 V CA -0.988 61.371 62.300 0.099 0.000 0.934 436 V CB 1.617 33.519 31.823 0.132 0.000 1.003 436 V HN 0.427 nan 8.190 nan 0.000 0.451 437 K N 3.611 124.084 120.400 0.122 0.000 2.276 437 K HA 0.494 4.816 4.320 0.004 0.000 0.283 437 K C -0.444 176.228 176.600 0.120 0.000 1.044 437 K CA -0.354 56.004 56.287 0.119 0.000 0.944 437 K CB 0.572 33.151 32.500 0.132 0.000 1.012 437 K HN 0.657 nan 8.250 nan 0.000 0.472 438 R N 3.651 124.214 120.500 0.105 0.000 2.744 438 R HA 0.433 4.775 4.340 0.004 0.000 0.279 438 R C -0.698 175.662 176.300 0.099 0.000 0.977 438 R CA -1.020 55.133 56.100 0.088 0.000 0.906 438 R CB 1.393 31.723 30.300 0.051 0.000 1.197 438 R HN 0.470 nan 8.270 nan 0.000 0.463 439 I N 2.441 123.071 120.570 0.100 0.000 2.312 439 I HA 0.086 4.258 4.170 0.004 0.000 0.291 439 I C 0.147 176.304 176.117 0.066 0.000 1.031 439 I CA -0.477 60.883 61.300 0.100 0.000 1.293 439 I CB 0.858 38.913 38.000 0.091 0.000 1.403 439 I HN 0.512 nan 8.210 nan 0.000 0.484 440 N N 6.329 125.052 118.700 0.039 0.000 2.399 440 N HA 0.024 4.766 4.740 0.004 0.000 0.259 440 N C 0.795 176.265 175.510 -0.067 0.000 1.160 440 N CA -0.312 52.698 53.050 -0.066 0.000 0.946 440 N CB 0.903 39.280 38.487 -0.183 0.000 1.156 440 N HN 0.398 nan 8.380 nan 0.000 0.489 441 M N 3.380 122.949 119.600 -0.051 0.000 2.229 441 M HA -0.032 4.451 4.480 0.004 0.000 0.264 441 M C 1.998 178.206 176.300 -0.153 0.000 1.063 441 M CA 0.875 56.154 55.300 -0.033 0.000 1.114 441 M CB -1.000 31.630 32.600 0.050 0.000 1.387 441 M HN 0.687 nan 8.290 nan 0.000 0.420 442 A N -1.027 121.682 122.820 -0.186 0.000 1.877 442 A HA -0.199 4.123 4.320 0.004 0.000 0.216 442 A C 2.003 179.382 177.584 -0.343 0.000 1.186 442 A CA 1.828 53.706 52.037 -0.266 0.000 0.620 442 A CB -1.219 17.769 19.000 -0.020 0.000 0.822 442 A HN 0.651 nan 8.150 nan 0.000 0.443 443 H N -0.944 117.980 119.070 -0.243 0.000 2.421 443 H HA -0.027 4.532 4.556 0.004 0.000 0.298 443 H C 2.065 177.234 175.328 -0.266 0.000 1.087 443 H CA 0.789 56.664 56.048 -0.288 0.000 1.330 443 H CB -0.084 29.735 29.762 0.094 0.000 1.388 443 H HN 0.370 nan 8.280 nan 0.000 0.526 444 L N 0.173 121.350 121.223 -0.077 0.000 1.989 444 L HA -0.253 4.090 4.340 0.004 0.000 0.211 444 L C 2.207 178.955 176.870 -0.203 0.000 1.071 444 L CA 1.352 56.134 54.840 -0.097 0.000 0.749 444 L CB -0.342 41.686 42.059 -0.051 0.000 0.890 444 L HN 0.470 nan 8.230 nan 0.000 0.431 445 C N -0.159 118.921 119.300 -0.367 0.000 2.425 445 C HA -0.160 4.302 4.460 0.004 0.000 0.277 445 C C 2.651 177.365 174.990 -0.460 0.000 1.280 445 C CA 0.521 59.213 59.018 -0.543 0.000 1.744 445 C CB -0.720 26.284 27.740 -1.226 0.000 1.989 445 C HN 0.497 nan 8.230 nan 0.000 0.491 446 I N 1.214 121.487 120.570 -0.496 0.000 2.252 446 I HA -0.173 4.000 4.170 0.004 0.000 0.245 446 I C 2.729 178.702 176.117 -0.239 0.000 1.102 446 I CA 1.558 62.608 61.300 -0.416 0.000 1.385 446 I CB -0.494 37.106 38.000 -0.666 0.000 1.064 446 I HN 0.265 nan 8.210 nan 0.000 0.414 447 A N 0.579 123.242 122.820 -0.261 0.000 1.898 447 A HA -0.066 4.257 4.320 0.004 0.000 0.216 447 A C 2.226 179.798 177.584 -0.021 0.000 1.181 447 A CA 1.718 53.631 52.037 -0.208 0.000 0.620 447 A CB -1.153 17.527 19.000 -0.533 0.000 0.819 447 A HN 0.457 nan 8.150 nan 0.000 0.442 448 G N -0.882 107.867 108.800 -0.085 0.000 3.181 448 G HA2 0.392 4.355 3.960 0.004 0.000 0.219 448 G HA3 0.392 4.355 3.960 0.004 0.000 0.219 448 G C 0.094 174.849 174.900 -0.242 0.000 1.182 448 G CA 0.549 45.511 45.100 -0.229 0.000 0.791 448 G HN 0.365 nan 8.290 nan 0.000 0.537 449 S N -1.055 114.540 115.700 -0.176 0.000 2.526 449 S HA 0.381 4.853 4.470 0.004 0.000 0.293 449 S C 0.469 175.006 174.600 -0.104 0.000 1.092 449 S CA -0.639 57.471 58.200 -0.150 0.000 0.980 449 S CB 1.595 64.710 63.200 -0.142 0.000 1.048 449 S HN 0.571 nan 8.310 nan 0.000 0.483 450 H N 0.238 119.281 119.070 -0.045 0.000 2.497 450 H HA 0.617 5.175 4.556 0.004 0.000 0.282 450 H C 0.355 175.683 175.328 -0.001 0.000 1.003 450 H CA 0.628 56.674 56.048 -0.003 0.000 1.307 450 H CB 0.181 29.946 29.762 0.006 0.000 1.437 450 H HN 0.557 nan 8.280 nan 0.000 0.544 451 A N 1.388 123.897 122.820 -0.519 0.000 2.343 451 A HA 0.597 4.919 4.320 0.004 0.000 0.308 451 A C -1.249 176.166 177.584 -0.281 0.000 1.092 451 A CA -0.721 51.124 52.037 -0.319 0.000 0.751 451 A CB 1.524 20.343 19.000 -0.303 0.000 1.203 451 A HN 0.173 nan 8.150 nan 0.000 0.452 452 V N 5.089 124.816 119.914 -0.312 0.000 2.334 452 V HA 0.343 4.466 4.120 0.004 0.000 0.281 452 V C -0.333 175.614 176.094 -0.244 0.000 1.016 452 V CA -0.823 61.296 62.300 -0.301 0.000 0.832 452 V CB 1.199 32.717 31.823 -0.508 0.000 0.999 452 V HN 0.958 nan 8.190 nan 0.000 0.439 453 N N 4.042 122.610 118.700 -0.221 0.000 2.362 453 N HA 0.502 5.244 4.740 0.004 0.000 0.298 453 N C 0.005 175.436 175.510 -0.131 0.000 1.048 453 N CA -0.294 52.660 53.050 -0.160 0.000 0.858 453 N CB 2.649 41.019 38.487 -0.195 0.000 1.218 453 N HN 0.559 nan 8.380 nan 0.000 0.488 454 G N -0.041 108.719 108.800 -0.067 0.000 2.563 454 G HA2 0.338 4.301 3.960 0.004 0.000 0.283 454 G HA3 0.338 4.301 3.960 0.004 0.000 0.283 454 G C 0.088 175.068 174.900 0.133 0.000 1.309 454 G CA -0.530 44.591 45.100 0.035 0.000 1.022 454 G HN 0.434 nan 8.290 nan 0.000 0.501 455 V N -0.624 119.511 119.914 0.367 0.000 3.398 455 V HA 0.608 4.730 4.120 0.004 0.000 0.298 455 V C 0.665 176.847 176.094 0.148 0.000 1.496 455 V CA 0.977 63.361 62.300 0.141 0.000 1.044 455 V CB -0.114 31.672 31.823 -0.062 0.000 0.880 455 V HN 1.151 nan 8.190 nan 0.000 0.443 456 A N -0.854 122.091 122.820 0.208 0.000 2.608 456 A HA 0.597 4.919 4.320 0.004 0.000 0.292 456 A C 0.471 178.127 177.584 0.119 0.000 1.066 456 A CA -0.508 51.614 52.037 0.141 0.000 0.676 456 A CB 0.870 19.940 19.000 0.117 0.000 1.277 456 A HN 0.029 nan 8.150 nan 0.000 0.413 457 R N 0.411 120.949 120.500 0.063 0.000 2.070 457 R HA -0.158 4.184 4.340 0.004 0.000 0.233 457 R C 1.813 178.115 176.300 0.004 0.000 1.137 457 R CA 2.206 58.318 56.100 0.019 0.000 0.945 457 R CB -0.632 29.670 30.300 0.003 0.000 0.845 457 R HN 0.847 nan 8.270 nan 0.000 0.430 458 I N -1.645 118.938 120.570 0.020 0.000 2.614 458 I HA -0.181 3.992 4.170 0.004 0.000 0.258 458 I C 2.345 178.476 176.117 0.023 0.000 1.189 458 I CA 1.584 62.887 61.300 0.005 0.000 1.462 458 I CB -0.504 37.500 38.000 0.005 0.000 1.092 458 I HN 0.138 nan 8.210 nan 0.000 0.442 459 H N 1.371 120.423 119.070 -0.031 0.000 2.329 459 H HA 0.033 4.591 4.556 0.004 0.000 0.306 459 H C 2.214 177.524 175.328 -0.029 0.000 1.062 459 H CA 1.896 57.925 56.048 -0.031 0.000 1.364 459 H CB -0.290 29.461 29.762 -0.018 0.000 1.409 459 H HN 0.165 nan 8.280 nan 0.000 0.519 460 S N 0.584 116.104 115.700 -0.299 0.000 2.383 460 S HA -0.157 4.315 4.470 0.004 0.000 0.229 460 S C 1.869 176.334 174.600 -0.224 0.000 1.030 460 S CA 1.417 59.441 58.200 -0.293 0.000 1.002 460 S CB -0.153 62.980 63.200 -0.112 0.000 0.829 460 S HN 0.483 nan 8.310 nan 0.000 0.467 461 E N 1.219 121.316 120.200 -0.172 0.000 2.106 461 E HA -0.077 4.275 4.350 0.004 0.000 0.192 461 E C 2.122 178.595 176.600 -0.211 0.000 0.984 461 E CA 0.837 57.128 56.400 -0.182 0.000 0.806 461 E CB -0.419 29.209 29.700 -0.120 0.000 0.750 461 E HN 0.783 nan 8.360 nan 0.000 0.458 462 I N -1.976 118.487 120.570 -0.178 0.000 2.676 462 I HA -0.119 4.053 4.170 0.004 0.000 0.259 462 I C 2.144 178.136 176.117 -0.208 0.000 1.194 462 I CA 0.686 61.886 61.300 -0.166 0.000 1.473 462 I CB -0.289 37.646 38.000 -0.109 0.000 1.096 462 I HN -0.071 nan 8.210 nan 0.000 0.443 463 L N 1.128 122.212 121.223 -0.232 0.000 2.046 463 L HA -0.164 4.178 4.340 0.004 0.000 0.208 463 L C 2.635 179.364 176.870 -0.236 0.000 1.077 463 L CA 1.784 56.536 54.840 -0.147 0.000 0.747 463 L CB -0.624 41.447 42.059 0.019 0.000 0.896 463 L HN 0.271 nan 8.230 nan 0.000 0.432 464 K N -0.243 119.897 120.400 -0.433 0.000 2.155 464 K HA -0.166 4.156 4.320 0.004 0.000 0.203 464 K C 2.116 178.427 176.600 -0.482 0.000 1.052 464 K CA 0.962 56.778 56.287 -0.785 0.000 0.948 464 K CB 0.042 31.843 32.500 -1.166 0.000 0.728 464 K HN 0.171 nan 8.250 nan 0.000 0.448 465 K N 0.066 120.283 120.400 -0.304 0.000 2.044 465 K HA -0.066 4.257 4.320 0.004 0.000 0.204 465 K C 1.930 178.458 176.600 -0.121 0.000 1.045 465 K CA 1.727 57.904 56.287 -0.184 0.000 0.951 465 K CB 0.336 32.748 32.500 -0.148 0.000 0.738 465 K HN 0.226 nan 8.250 nan 0.000 0.443 466 T N -2.482 111.995 114.554 -0.129 0.000 3.115 466 T HA 0.116 4.468 4.350 0.004 0.000 0.256 466 T C 1.756 176.387 174.700 -0.115 0.000 0.970 466 T CA -0.147 61.894 62.100 -0.098 0.000 1.010 466 T CB -0.252 68.564 68.868 -0.088 0.000 1.151 466 T HN -0.045 nan 8.240 nan 0.000 0.479 467 I N 1.113 121.557 120.570 -0.210 0.000 2.133 467 I HA 0.154 4.326 4.170 0.004 0.000 0.238 467 I C 0.900 176.805 176.117 -0.354 0.000 1.074 467 I CA 1.322 62.390 61.300 -0.387 0.000 1.342 467 I CB -0.332 37.281 38.000 -0.644 0.000 1.053 467 I HN 0.211 nan 8.210 nan 0.000 0.404 468 F N 1.281 121.266 119.950 0.059 0.000 2.855 468 F HA 0.229 4.758 4.527 0.004 0.000 0.317 468 F C 1.745 177.594 175.800 0.081 0.000 1.169 468 F CA -0.776 57.328 58.000 0.174 0.000 1.299 468 F CB -0.705 38.423 39.000 0.213 0.000 0.962 468 F HN 0.017 nan 8.300 nan 0.000 0.506 469 K N -0.520 119.963 120.400 0.139 0.000 2.026 469 K HA -0.183 4.139 4.320 0.004 0.000 0.208 469 K C 1.009 177.690 176.600 0.136 0.000 1.048 469 K CA 1.945 58.283 56.287 0.085 0.000 0.929 469 K CB -0.329 32.188 32.500 0.028 0.000 0.713 469 K HN 0.038 nan 8.250 nan 0.000 0.439 470 D N 0.824 121.283 120.400 0.098 0.000 2.133 470 D HA -0.172 4.470 4.640 0.004 0.000 0.192 470 D C 1.811 178.080 176.300 -0.052 0.000 1.001 470 D CA 1.354 55.315 54.000 -0.065 0.000 0.844 470 D CB -0.373 40.324 40.800 -0.171 0.000 0.944 470 D HN 0.266 nan 8.370 nan 0.000 0.447 471 F N -0.678 119.386 119.950 0.190 0.000 2.293 471 F HA -0.119 4.411 4.527 0.004 0.000 0.300 471 F C 2.211 178.237 175.800 0.377 0.000 1.086 471 F CA 0.416 58.617 58.000 0.334 0.000 1.375 471 F CB -0.446 38.851 39.000 0.495 0.000 1.045 471 F HN 0.007 nan 8.300 nan 0.000 0.516 472 Y N 1.556 121.936 120.300 0.134 0.000 2.184 472 Y HA -0.049 4.503 4.550 0.004 0.000 0.290 472 Y C 1.101 177.041 175.900 0.066 0.000 1.129 472 Y CA 1.054 59.107 58.100 -0.079 0.000 1.144 472 Y CB -0.626 37.581 38.460 -0.423 0.000 0.995 472 Y HN 0.042 nan 8.280 nan 0.000 0.513 473 E N 1.648 121.839 120.200 -0.015 0.000 2.676 473 E HA 0.062 4.414 4.350 0.004 0.000 0.318 473 E C 0.624 177.322 176.600 0.163 0.000 1.514 473 E CA 0.137 56.531 56.400 -0.011 0.000 1.667 473 E CB -0.127 29.629 29.700 0.093 0.000 1.336 473 E HN 0.434 nan 8.360 nan 0.000 0.492 474 L N -0.442 120.839 121.223 0.096 0.000 1.645 474 L HA 0.123 4.465 4.340 0.004 0.000 0.177 474 L C -0.861 176.065 176.870 0.093 0.000 1.266 474 L CA 0.625 55.561 54.840 0.160 0.000 1.244 474 L CB 0.705 42.887 42.059 0.206 0.000 2.568 474 L HN 0.088 nan 8.230 nan 0.000 0.502 475 E N 2.470 122.715 120.200 0.075 0.000 2.675 475 E HA 0.282 4.634 4.350 0.004 0.000 0.236 475 E C -1.974 174.514 176.600 -0.187 0.000 1.059 475 E CA -1.397 54.862 56.400 -0.234 0.000 0.775 475 E CB 1.779 31.401 29.700 -0.130 0.000 1.356 475 E HN 0.205 nan 8.360 nan 0.000 0.403 476 P HA -0.181 nan 4.420 nan 0.000 0.221 476 P C 1.032 178.392 177.300 0.101 0.000 1.155 476 P CA 1.134 64.127 63.100 -0.178 0.000 0.812 476 P CB 0.087 31.557 31.700 -0.385 0.000 0.801 477 H N 0.158 119.331 119.070 0.171 0.000 2.489 477 H HA 0.031 4.589 4.556 0.004 0.000 0.293 477 H C 1.831 177.250 175.328 0.151 0.000 1.066 477 H CA 0.880 57.015 56.048 0.144 0.000 1.305 477 H CB -0.521 29.296 29.762 0.092 0.000 1.386 477 H HN 0.120 nan 8.280 nan 0.000 0.551 478 K N 0.854 121.236 120.400 -0.031 0.000 2.026 478 K HA -0.065 4.258 4.320 0.004 0.000 0.208 478 K C -0.054 176.481 176.600 -0.109 0.000 1.048 478 K CA 0.658 56.906 56.287 -0.065 0.000 0.929 478 K CB -0.047 32.272 32.500 -0.302 0.000 0.713 478 K HN 0.044 nan 8.250 nan 0.000 0.439 479 F N 1.950 121.958 119.950 0.096 0.000 2.445 479 F HA 0.189 4.718 4.527 0.004 0.000 0.359 479 F C 0.402 176.218 175.800 0.027 0.000 1.101 479 F CA 0.001 58.042 58.000 0.068 0.000 1.177 479 F CB 0.990 40.060 39.000 0.116 0.000 1.110 479 F HN 0.083 nan 8.300 nan 0.000 0.522 480 Q N 1.824 121.674 119.800 0.083 0.000 2.552 480 Q HA 0.379 4.722 4.340 0.004 0.000 0.289 480 Q C -0.972 175.004 176.000 -0.039 0.000 1.097 480 Q CA -1.259 54.544 55.803 0.001 0.000 0.812 480 Q CB 2.953 31.644 28.738 -0.079 0.000 1.460 480 Q HN 0.603 nan 8.270 nan 0.000 0.452 481 N N 0.655 119.311 118.700 -0.073 0.000 2.269 481 N HA 0.279 5.022 4.740 0.004 0.000 0.304 481 N C -1.527 173.897 175.510 -0.145 0.000 1.072 481 N CA -0.391 52.612 53.050 -0.080 0.000 0.802 481 N CB 1.100 39.559 38.487 -0.046 0.000 1.348 481 N HN 0.278 nan 8.380 nan 0.000 0.484 482 K N 2.524 122.848 120.400 -0.128 0.000 2.705 482 K HA 0.194 4.517 4.320 0.004 0.000 0.238 482 K C -0.949 175.663 176.600 0.020 0.000 0.996 482 K CA -0.502 55.690 56.287 -0.158 0.000 1.007 482 K CB 1.201 33.446 32.500 -0.424 0.000 1.206 482 K HN 0.535 nan 8.250 nan 0.000 0.488 483 T N 2.512 117.089 114.554 0.039 0.000 2.928 483 T HA 0.073 4.425 4.350 0.004 0.000 0.305 483 T C 0.722 175.542 174.700 0.201 0.000 1.035 483 T CA 0.102 62.272 62.100 0.117 0.000 1.145 483 T CB 0.231 69.158 68.868 0.099 0.000 0.963 483 T HN 0.239 nan 8.240 nan 0.000 0.545 484 N N 1.155 120.003 118.700 0.247 0.000 2.381 484 N HA 0.423 5.166 4.740 0.004 0.000 0.241 484 N C 0.489 176.195 175.510 0.327 0.000 1.279 484 N CA 0.181 53.416 53.050 0.310 0.000 0.896 484 N CB 0.793 39.413 38.487 0.222 0.000 1.118 484 N HN 0.843 nan 8.380 nan 0.000 0.438 485 G N -0.549 108.462 108.800 0.352 0.000 2.866 485 G HA2 0.714 4.676 3.960 0.004 0.000 0.289 485 G HA3 0.714 4.676 3.960 0.004 0.000 0.289 485 G C -1.431 173.622 174.900 0.255 0.000 1.396 485 G CA -0.230 45.060 45.100 0.317 0.000 0.848 485 G HN 0.393 nan 8.290 nan 0.000 0.515 486 I N -0.414 120.291 120.570 0.225 0.000 2.656 486 I HA 0.457 4.629 4.170 0.004 0.000 0.292 486 I C 0.206 176.477 176.117 0.256 0.000 1.144 486 I CA -0.401 61.008 61.300 0.183 0.000 1.038 486 I CB 2.568 40.586 38.000 0.029 0.000 1.244 486 I HN 0.519 nan 8.210 nan 0.000 0.420 487 T N 7.085 121.836 114.554 0.329 0.000 2.851 487 T HA 0.333 4.685 4.350 0.004 0.000 0.298 487 T C -1.806 173.023 174.700 0.214 0.000 0.977 487 T CA -1.272 60.966 62.100 0.230 0.000 1.126 487 T CB 0.893 69.856 68.868 0.159 0.000 0.916 487 T HN 0.418 nan 8.240 nan 0.000 0.529 488 P HA 0.143 nan 4.420 nan 0.000 0.249 488 P C 1.032 178.309 177.300 -0.038 0.000 1.229 488 P CA 0.073 63.219 63.100 0.077 0.000 0.788 488 P CB 0.339 32.071 31.700 0.052 0.000 1.072 489 R N 0.681 121.119 120.500 -0.103 0.000 2.078 489 R HA 0.017 4.360 4.340 0.004 0.000 0.224 489 R C 2.603 178.792 176.300 -0.186 0.000 1.149 489 R CA 1.564 57.554 56.100 -0.183 0.000 0.916 489 R CB -1.335 28.866 30.300 -0.165 0.000 0.821 489 R HN -0.025 nan 8.270 nan 0.000 0.434 490 R N -0.825 119.511 120.500 -0.273 0.000 2.096 490 R HA -0.169 4.174 4.340 0.004 0.000 0.240 490 R C 1.295 177.253 176.300 -0.571 0.000 1.139 490 R CA 2.094 57.870 56.100 -0.541 0.000 0.952 490 R CB -0.277 29.510 30.300 -0.856 0.000 0.854 490 R HN 0.338 nan 8.270 nan 0.000 0.436 491 W N -0.748 120.511 121.300 -0.069 0.000 3.316 491 W HA 0.209 4.871 4.660 0.004 0.000 0.327 491 W C 1.330 177.817 176.519 -0.053 0.000 1.232 491 W CA -0.647 56.654 57.345 -0.072 0.000 1.805 491 W CB 0.504 29.927 29.460 -0.062 0.000 1.090 491 W HN 0.182 nan 8.180 nan 0.000 0.654 492 L N -1.798 119.484 121.223 0.098 0.000 2.681 492 L HA 0.059 4.402 4.340 0.004 0.000 0.163 492 L C 1.717 178.601 176.870 0.023 0.000 1.188 492 L CA 0.490 55.380 54.840 0.084 0.000 0.944 492 L CB -0.658 41.479 42.059 0.130 0.000 1.835 492 L HN -0.266 nan 8.230 nan 0.000 0.510 493 V N 1.546 121.447 119.914 -0.021 0.000 2.343 493 V HA -0.286 3.836 4.120 0.004 0.000 0.247 493 V C 2.494 178.559 176.094 -0.049 0.000 1.051 493 V CA 2.253 64.530 62.300 -0.038 0.000 1.036 493 V CB -0.442 31.314 31.823 -0.112 0.000 0.654 493 V HN 0.439 nan 8.190 nan 0.000 0.451 494 L N 0.349 121.514 121.223 -0.097 0.000 2.068 494 L HA -0.139 4.204 4.340 0.004 0.000 0.204 494 L C 2.518 179.319 176.870 -0.115 0.000 1.076 494 L CA 2.111 56.880 54.840 -0.119 0.000 0.753 494 L CB -0.184 41.761 42.059 -0.190 0.000 0.910 494 L HN 0.631 nan 8.230 nan 0.000 0.439 495 C N -1.671 117.551 119.300 -0.130 0.000 2.495 495 C HA 0.154 4.616 4.460 0.004 0.000 0.275 495 C C 1.310 176.272 174.990 -0.047 0.000 1.392 495 C CA -0.265 58.691 59.018 -0.104 0.000 1.766 495 C CB -0.978 26.694 27.740 -0.113 0.000 1.933 495 C HN 0.548 nan 8.230 nan 0.000 0.519 496 N N 1.445 120.132 118.700 -0.022 0.000 2.757 496 N HA 0.293 5.035 4.740 0.004 0.000 0.296 496 N C -1.780 173.736 175.510 0.010 0.000 1.874 496 N CA -1.522 51.527 53.050 -0.001 0.000 0.885 496 N CB 0.737 39.233 38.487 0.015 0.000 1.242 496 N HN 0.335 nan 8.380 nan 0.000 0.488 497 P HA -0.021 nan 4.420 nan 0.000 0.222 497 P C 1.367 178.678 177.300 0.019 0.000 1.147 497 P CA 0.702 63.810 63.100 0.013 0.000 0.790 497 P CB 0.299 32.002 31.700 0.004 0.000 0.780 498 G N 0.742 109.548 108.800 0.010 0.000 2.421 498 G HA2 -0.238 3.724 3.960 0.004 0.000 0.216 498 G HA3 -0.238 3.724 3.960 0.004 0.000 0.216 498 G C 1.457 176.361 174.900 0.006 0.000 1.171 498 G CA 0.518 45.620 45.100 0.004 0.000 0.775 498 G HN 0.237 nan 8.290 nan 0.000 0.543 499 L N 1.119 122.348 121.223 0.010 0.000 2.179 499 L HA 0.341 4.683 4.340 0.004 0.000 0.208 499 L C 2.989 179.883 176.870 0.039 0.000 1.096 499 L CA 1.650 56.496 54.840 0.009 0.000 0.779 499 L CB -0.577 41.488 42.059 0.011 0.000 0.922 499 L HN 0.229 nan 8.230 nan 0.000 0.443 500 A N -1.020 121.845 122.820 0.075 0.000 1.930 500 A HA -0.221 4.102 4.320 0.004 0.000 0.217 500 A C 2.303 179.967 177.584 0.132 0.000 1.175 500 A CA 1.658 53.788 52.037 0.155 0.000 0.627 500 A CB -0.540 18.551 19.000 0.150 0.000 0.815 500 A HN 0.543 nan 8.150 nan 0.000 0.443 501 E N 0.083 120.328 120.200 0.075 0.000 2.047 501 E HA -0.175 4.177 4.350 0.004 0.000 0.191 501 E C 2.000 178.626 176.600 0.043 0.000 0.987 501 E CA 1.518 57.953 56.400 0.058 0.000 0.799 501 E CB -0.287 29.433 29.700 0.034 0.000 0.752 501 E HN 0.788 nan 8.360 nan 0.000 0.449 502 I N -1.442 119.147 120.570 0.031 0.000 2.315 502 I HA -0.180 3.992 4.170 0.004 0.000 0.248 502 I C 2.219 178.365 176.117 0.050 0.000 1.117 502 I CA 1.065 62.388 61.300 0.039 0.000 1.404 502 I CB -0.345 37.668 38.000 0.022 0.000 1.071 502 I HN 0.041 nan 8.210 nan 0.000 0.419 503 I N 2.062 122.640 120.570 0.014 0.000 2.226 503 I HA -0.216 3.957 4.170 0.004 0.000 0.245 503 I C 2.846 178.879 176.117 -0.141 0.000 1.100 503 I CA 1.491 62.718 61.300 -0.121 0.000 1.374 503 I CB -0.366 37.437 38.000 -0.329 0.000 1.057 503 I HN 0.318 nan 8.210 nan 0.000 0.413 504 A N -0.390 122.433 122.820 0.005 0.000 2.168 504 A HA -0.117 4.206 4.320 0.004 0.000 0.215 504 A C 2.123 179.724 177.584 0.029 0.000 1.152 504 A CA 0.954 53.047 52.037 0.093 0.000 0.716 504 A CB -0.450 18.665 19.000 0.192 0.000 0.794 504 A HN 0.408 nan 8.150 nan 0.000 0.465 505 E N -0.431 119.764 120.200 -0.009 0.000 2.158 505 E HA -0.117 4.235 4.350 0.004 0.000 0.191 505 E C 1.960 178.521 176.600 -0.065 0.000 0.982 505 E CA 0.519 56.907 56.400 -0.020 0.000 0.823 505 E CB 0.058 29.752 29.700 -0.011 0.000 0.766 505 E HN 0.473 nan 8.360 nan 0.000 0.468 506 R N 0.500 120.903 120.500 -0.162 0.000 2.051 506 R HA 0.059 4.401 4.340 0.004 0.000 0.218 506 R C 2.406 178.644 176.300 -0.103 0.000 1.188 506 R CA 0.839 56.786 56.100 -0.255 0.000 0.992 506 R CB -0.862 28.957 30.300 -0.801 0.000 0.883 506 R HN 0.236 nan 8.270 nan 0.000 0.444 507 I N -1.789 118.713 120.570 -0.114 0.000 3.928 507 I HA 0.405 4.577 4.170 0.004 0.000 0.335 507 I C 0.467 176.612 176.117 0.047 0.000 1.325 507 I CA 0.205 61.490 61.300 -0.025 0.000 1.107 507 I CB 0.277 38.244 38.000 -0.054 0.000 1.014 507 I HN 0.255 nan 8.210 nan 0.000 0.400 508 G N 2.065 110.903 108.800 0.063 0.000 2.760 508 G HA2 -0.240 3.722 3.960 0.004 0.000 0.246 508 G HA3 -0.240 3.722 3.960 0.004 0.000 0.246 508 G C -0.074 174.970 174.900 0.240 0.000 1.359 508 G CA 0.105 45.274 45.100 0.116 0.000 0.861 508 G HN 0.507 nan 8.290 nan 0.000 0.541 509 E N -0.073 120.234 120.200 0.178 0.000 2.465 509 E HA 0.127 4.479 4.350 0.004 0.000 0.195 509 E C 1.789 178.378 176.600 -0.018 0.000 1.028 509 E CA 0.201 56.671 56.400 0.117 0.000 0.899 509 E CB 0.305 30.041 29.700 0.059 0.000 1.032 509 E HN 0.640 nan 8.360 nan 0.000 0.468 510 E N 0.019 120.270 120.200 0.084 0.000 2.208 510 E HA -0.176 4.176 4.350 0.004 0.000 0.193 510 E C 1.577 178.180 176.600 0.005 0.000 0.988 510 E CA 0.772 57.196 56.400 0.041 0.000 0.828 510 E CB -0.075 29.669 29.700 0.072 0.000 0.763 510 E HN 0.495 nan 8.360 nan 0.000 0.478 511 Y N -0.261 120.044 120.300 0.009 0.000 2.274 511 Y HA -0.117 4.435 4.550 0.004 0.000 0.290 511 Y C 1.889 177.776 175.900 -0.023 0.000 1.145 511 Y CA 0.667 58.767 58.100 0.001 0.000 1.203 511 Y CB -0.599 37.864 38.460 0.004 0.000 0.984 511 Y HN -0.092 nan 8.280 nan 0.000 0.533 512 I N 0.201 120.185 120.570 -0.976 0.000 2.300 512 I HA -0.306 3.866 4.170 0.004 0.000 0.252 512 I C 1.930 177.805 176.117 -0.402 0.000 1.119 512 I CA 2.078 62.908 61.300 -0.782 0.000 1.384 512 I CB -0.363 37.133 38.000 -0.840 0.000 1.062 512 I HN 0.384 nan 8.210 nan 0.000 0.426 513 S N -0.840 114.720 115.700 -0.232 0.000 2.711 513 S HA 0.119 4.591 4.470 0.004 0.000 0.247 513 S C -0.209 174.378 174.600 -0.022 0.000 1.079 513 S CA -0.337 57.810 58.200 -0.089 0.000 1.050 513 S CB -0.267 62.935 63.200 0.004 0.000 0.885 513 S HN 0.407 nan 8.310 nan 0.000 0.498 514 D N 0.761 121.155 120.400 -0.009 0.000 3.785 514 D HA 0.032 4.675 4.640 0.004 0.000 0.241 514 D C 0.496 176.840 176.300 0.075 0.000 1.488 514 D CA -0.309 53.711 54.000 0.034 0.000 0.912 514 D CB -0.564 40.259 40.800 0.038 0.000 1.418 514 D HN 0.252 nan 8.370 nan 0.000 0.749 515 L N 0.885 122.158 121.223 0.082 0.000 2.189 515 L HA -0.064 4.278 4.340 0.004 0.000 0.214 515 L C 1.544 178.486 176.870 0.120 0.000 1.097 515 L CA 1.752 56.675 54.840 0.139 0.000 0.764 515 L CB -0.153 41.984 42.059 0.130 0.000 0.900 515 L HN 0.277 nan 8.230 nan 0.000 0.436 516 D N -0.918 119.527 120.400 0.074 0.000 2.309 516 D HA -0.193 4.449 4.640 0.004 0.000 0.212 516 D C 1.902 178.234 176.300 0.054 0.000 0.968 516 D CA 0.664 54.694 54.000 0.049 0.000 0.882 516 D CB 0.134 40.946 40.800 0.020 0.000 0.918 516 D HN 0.575 nan 8.370 nan 0.000 0.503 517 Q N -0.183 119.664 119.800 0.079 0.000 2.437 517 Q HA -0.036 4.306 4.340 0.004 0.000 0.210 517 Q C 2.166 178.194 176.000 0.048 0.000 0.972 517 Q CA 0.224 56.072 55.803 0.075 0.000 0.903 517 Q CB 0.126 28.933 28.738 0.115 0.000 0.967 517 Q HN 0.376 nan 8.270 nan 0.000 0.486 518 L N 0.116 121.367 121.223 0.046 0.000 2.362 518 L HA -0.145 4.198 4.340 0.004 0.000 0.219 518 L C 2.175 179.049 176.870 0.007 0.000 1.134 518 L CA 0.602 55.437 54.840 -0.009 0.000 0.807 518 L CB -0.301 41.766 42.059 0.012 0.000 0.927 518 L HN 0.195 nan 8.230 nan 0.000 0.447 519 R N 0.506 121.019 120.500 0.023 0.000 2.159 519 R HA -0.182 4.160 4.340 0.004 0.000 0.237 519 R C 2.002 178.309 176.300 0.011 0.000 1.131 519 R CA 1.038 57.150 56.100 0.020 0.000 0.982 519 R CB -0.253 30.057 30.300 0.017 0.000 0.868 519 R HN 0.398 nan 8.270 nan 0.000 0.453 520 K N 0.255 120.659 120.400 0.007 0.000 2.360 520 K HA -0.118 4.204 4.320 0.004 0.000 0.201 520 K C 1.555 178.173 176.600 0.030 0.000 1.046 520 K CA 0.702 56.996 56.287 0.012 0.000 0.940 520 K CB -0.021 32.492 32.500 0.021 0.000 0.748 520 K HN -0.007 nan 8.250 nan 0.000 0.465 521 L N 0.574 121.798 121.223 0.001 0.000 2.465 521 L HA -0.084 4.258 4.340 0.004 0.000 0.224 521 L C 1.538 178.427 176.870 0.032 0.000 1.145 521 L CA 0.982 55.809 54.840 -0.020 0.000 0.834 521 L CB -0.330 41.688 42.059 -0.068 0.000 0.944 521 L HN 0.140 nan 8.230 nan 0.000 0.451 522 L N -1.074 120.164 121.223 0.025 0.000 2.187 522 L HA -0.143 4.200 4.340 0.004 0.000 0.213 522 L C 2.295 179.155 176.870 -0.017 0.000 1.100 522 L CA 1.268 56.119 54.840 0.019 0.000 0.765 522 L CB -1.467 40.596 42.059 0.006 0.000 0.904 522 L HN 0.252 nan 8.230 nan 0.000 0.437 523 S N -1.778 113.881 115.700 -0.068 0.000 2.555 523 S HA -0.070 4.403 4.470 0.004 0.000 0.230 523 S C 1.152 175.532 174.600 -0.367 0.000 0.978 523 S CA 0.420 58.489 58.200 -0.220 0.000 0.934 523 S CB -0.224 62.788 63.200 -0.313 0.000 0.766 523 S HN 0.443 nan 8.310 nan 0.000 0.533 524 Y N -0.472 119.736 120.300 -0.155 0.000 2.584 524 Y HA 0.303 4.855 4.550 0.004 0.000 0.254 524 Y C 1.624 177.542 175.900 0.031 0.000 1.177 524 Y CA -0.379 57.624 58.100 -0.161 0.000 1.216 524 Y CB 0.111 38.239 38.460 -0.552 0.000 1.172 524 Y HN 0.009 nan 8.280 nan 0.000 0.529 525 V N 0.060 120.059 119.914 0.142 0.000 2.720 525 V HA -0.231 3.891 4.120 0.004 0.000 0.256 525 V C 1.058 177.228 176.094 0.127 0.000 1.082 525 V CA 1.994 64.388 62.300 0.158 0.000 1.101 525 V CB -0.157 31.719 31.823 0.088 0.000 0.693 525 V HN 0.422 nan 8.190 nan 0.000 0.479 526 D N -1.117 119.335 120.400 0.087 0.000 2.398 526 D HA 0.062 4.704 4.640 0.004 0.000 0.210 526 D C 0.655 177.005 176.300 0.083 0.000 1.094 526 D CA 0.050 54.089 54.000 0.065 0.000 0.839 526 D CB 0.266 41.080 40.800 0.024 0.000 0.963 526 D HN 0.414 nan 8.370 nan 0.000 0.506 527 D N 1.932 122.416 120.400 0.140 0.000 2.325 527 D HA -0.022 4.621 4.640 0.004 0.000 0.251 527 D C 1.066 177.479 176.300 0.189 0.000 1.196 527 D CA 0.022 54.125 54.000 0.172 0.000 0.866 527 D CB 1.358 42.327 40.800 0.282 0.000 1.101 527 D HN -0.100 nan 8.370 nan 0.000 0.476 528 E N 3.023 123.296 120.200 0.122 0.000 2.110 528 E HA -0.166 4.186 4.350 0.004 0.000 0.193 528 E C 1.775 178.433 176.600 0.096 0.000 0.988 528 E CA 0.755 57.209 56.400 0.090 0.000 0.804 528 E CB -0.104 29.630 29.700 0.056 0.000 0.745 528 E HN 0.658 nan 8.360 nan 0.000 0.458 529 A N 1.236 124.127 122.820 0.119 0.000 1.865 529 A HA -0.216 4.106 4.320 0.004 0.000 0.217 529 A C 2.096 179.764 177.584 0.139 0.000 1.191 529 A CA 1.490 53.594 52.037 0.112 0.000 0.623 529 A CB -0.921 18.151 19.000 0.120 0.000 0.826 529 A HN 0.253 nan 8.150 nan 0.000 0.444 530 F N 0.519 120.487 119.950 0.030 0.000 2.069 530 F HA -0.174 4.354 4.527 0.003 0.000 0.298 530 F C 2.096 177.901 175.800 0.008 0.000 1.113 530 F CA 1.654 59.652 58.000 -0.003 0.000 1.214 530 F CB -0.491 38.521 39.000 0.020 0.000 0.978 530 F HN 0.186 nan 8.300 nan 0.000 0.474 531 I N 0.538 121.141 120.570 0.055 0.000 2.194 531 I HA -0.387 3.786 4.170 0.004 0.000 0.246 531 I C 2.605 178.663 176.117 -0.099 0.000 1.093 531 I CA 2.103 63.374 61.300 -0.048 0.000 1.355 531 I CB -0.508 37.516 38.000 0.040 0.000 1.046 531 I HN 0.208 nan 8.210 nan 0.000 0.413 532 R N 0.377 120.844 120.500 -0.055 0.000 2.119 532 R HA -0.091 4.251 4.340 0.004 0.000 0.222 532 R C 1.630 177.875 176.300 -0.092 0.000 1.088 532 R CA 1.459 57.524 56.100 -0.059 0.000 0.984 532 R CB -0.535 29.750 30.300 -0.026 0.000 0.884 532 R HN 0.160 nan 8.270 nan 0.000 0.447 533 D N 0.809 121.139 120.400 -0.116 0.000 2.097 533 D HA -0.111 4.531 4.640 0.004 0.000 0.195 533 D C 1.981 178.156 176.300 -0.207 0.000 0.989 533 D CA 1.445 55.364 54.000 -0.135 0.000 0.827 533 D CB -0.048 40.691 40.800 -0.101 0.000 0.966 533 D HN 0.080 nan 8.370 nan 0.000 0.456 534 V N 1.024 120.719 119.914 -0.365 0.000 2.261 534 V HA -0.244 3.879 4.120 0.004 0.000 0.246 534 V C 2.457 178.451 176.094 -0.167 0.000 1.047 534 V CA 1.868 63.961 62.300 -0.345 0.000 1.015 534 V CB -0.902 30.605 31.823 -0.527 0.000 0.642 534 V HN 0.216 nan 8.190 nan 0.000 0.446 535 A N -0.154 122.587 122.820 -0.131 0.000 1.978 535 A HA -0.289 4.033 4.320 0.004 0.000 0.220 535 A C 2.231 179.770 177.584 -0.075 0.000 1.170 535 A CA 2.363 54.356 52.037 -0.074 0.000 0.636 535 A CB -0.477 18.481 19.000 -0.068 0.000 0.810 535 A HN 0.522 nan 8.150 nan 0.000 0.448 536 K N -0.449 119.903 120.400 -0.081 0.000 2.025 536 K HA -0.032 4.290 4.320 0.004 0.000 0.207 536 K C 1.726 178.292 176.600 -0.056 0.000 1.049 536 K CA 1.612 57.861 56.287 -0.063 0.000 0.933 536 K CB -0.503 31.963 32.500 -0.057 0.000 0.714 536 K HN 0.138 nan 8.250 nan 0.000 0.438 537 V N 1.232 121.109 119.914 -0.062 0.000 2.295 537 V HA -0.245 3.877 4.120 0.004 0.000 0.246 537 V C 2.302 178.373 176.094 -0.037 0.000 1.049 537 V CA 2.088 64.361 62.300 -0.046 0.000 1.024 537 V CB -0.494 31.297 31.823 -0.053 0.000 0.648 537 V HN 0.376 nan 8.190 nan 0.000 0.447 538 K N 0.348 120.724 120.400 -0.041 0.000 2.063 538 K HA -0.243 4.079 4.320 0.004 0.000 0.208 538 K C 2.184 178.747 176.600 -0.062 0.000 1.048 538 K CA 1.888 58.157 56.287 -0.031 0.000 0.928 538 K CB -0.472 32.026 32.500 -0.003 0.000 0.713 538 K HN 0.500 nan 8.250 nan 0.000 0.442 539 Q N -0.358 119.399 119.800 -0.072 0.000 2.167 539 Q HA -0.147 4.196 4.340 0.004 0.000 0.202 539 Q C 1.756 177.719 176.000 -0.061 0.000 0.970 539 Q CA 1.576 57.325 55.803 -0.090 0.000 0.855 539 Q CB 0.020 28.711 28.738 -0.080 0.000 0.911 539 Q HN 0.369 nan 8.270 nan 0.000 0.438 540 E N 0.287 120.465 120.200 -0.036 0.000 2.051 540 E HA -0.161 4.191 4.350 0.004 0.000 0.192 540 E C 1.410 178.015 176.600 0.008 0.000 0.991 540 E CA 1.622 58.015 56.400 -0.012 0.000 0.799 540 E CB 0.047 29.741 29.700 -0.010 0.000 0.748 540 E HN 0.411 nan 8.360 nan 0.000 0.449 541 N N -0.144 118.558 118.700 0.003 0.000 2.149 541 N HA -0.171 4.572 4.740 0.004 0.000 0.188 541 N C 1.570 177.130 175.510 0.083 0.000 1.019 541 N CA 1.165 54.234 53.050 0.031 0.000 0.857 541 N CB -0.029 38.463 38.487 0.008 0.000 0.997 541 N HN 0.046 nan 8.380 nan 0.000 0.426 542 K N 0.540 120.948 120.400 0.013 0.000 2.057 542 K HA -0.033 4.289 4.320 0.004 0.000 0.206 542 K C 1.790 178.470 176.600 0.133 0.000 1.050 542 K CA 0.673 56.966 56.287 0.010 0.000 0.935 542 K CB -0.012 32.222 32.500 -0.443 0.000 0.715 542 K HN 0.094 nan 8.250 nan 0.000 0.439 543 L N 1.497 122.754 121.223 0.057 0.000 2.046 543 L HA -0.179 4.164 4.340 0.004 0.000 0.208 543 L C 2.068 179.010 176.870 0.120 0.000 1.077 543 L CA 1.810 56.696 54.840 0.075 0.000 0.747 543 L CB -0.635 41.446 42.059 0.035 0.000 0.896 543 L HN 0.136 nan 8.230 nan 0.000 0.432 544 K N -1.267 119.214 120.400 0.135 0.000 2.057 544 K HA -0.197 4.125 4.320 0.004 0.000 0.206 544 K C 1.976 178.719 176.600 0.238 0.000 1.050 544 K CA 1.218 57.598 56.287 0.155 0.000 0.935 544 K CB -0.223 32.354 32.500 0.128 0.000 0.715 544 K HN 0.038 nan 8.250 nan 0.000 0.439 545 F N 0.932 120.957 119.950 0.125 0.000 2.163 545 F HA -0.020 4.510 4.527 0.004 0.000 0.297 545 F C 1.983 177.923 175.800 0.233 0.000 1.094 545 F CA 0.996 59.091 58.000 0.159 0.000 1.290 545 F CB -0.446 38.648 39.000 0.158 0.000 1.017 545 F HN -0.014 nan 8.300 nan 0.000 0.483 546 A N 0.376 123.325 122.820 0.214 0.000 1.940 546 A HA -0.130 4.193 4.320 0.004 0.000 0.219 546 A C 2.423 180.017 177.584 0.018 0.000 1.176 546 A CA 1.958 54.050 52.037 0.091 0.000 0.631 546 A CB -1.525 17.582 19.000 0.178 0.000 0.814 546 A HN 0.470 nan 8.150 nan 0.000 0.446 547 A N -1.247 121.612 122.820 0.066 0.000 1.858 547 A HA -0.100 4.222 4.320 0.004 0.000 0.216 547 A C 2.157 179.768 177.584 0.045 0.000 1.190 547 A CA 1.689 53.759 52.037 0.056 0.000 0.617 547 A CB -0.964 18.083 19.000 0.077 0.000 0.827 547 A HN 0.820 nan 8.150 nan 0.000 0.443 548 Y N -0.040 120.215 120.300 -0.075 0.000 2.165 548 Y HA -0.205 4.347 4.550 0.004 0.000 0.286 548 Y C 1.950 177.752 175.900 -0.163 0.000 1.155 548 Y CA 1.889 59.926 58.100 -0.104 0.000 1.164 548 Y CB -0.411 37.999 38.460 -0.082 0.000 0.978 548 Y HN 0.201 nan 8.280 nan 0.000 0.513 549 L N 0.959 122.147 121.223 -0.058 0.000 2.083 549 L HA -0.156 4.186 4.340 0.004 0.000 0.209 549 L C 2.238 179.087 176.870 -0.036 0.000 1.083 549 L CA 1.844 56.624 54.840 -0.099 0.000 0.752 549 L CB -0.959 40.921 42.059 -0.298 0.000 0.899 549 L HN 0.348 nan 8.230 nan 0.000 0.433 550 E N -1.237 118.931 120.200 -0.052 0.000 2.208 550 E HA -0.221 4.132 4.350 0.004 0.000 0.193 550 E C 2.094 178.669 176.600 -0.041 0.000 0.988 550 E CA 0.501 56.889 56.400 -0.020 0.000 0.828 550 E CB 0.139 29.838 29.700 -0.000 0.000 0.763 550 E HN 0.353 nan 8.360 nan 0.000 0.478 551 R N 1.511 121.951 120.500 -0.101 0.000 2.187 551 R HA -0.119 4.224 4.340 0.004 0.000 0.215 551 R C 0.247 176.440 176.300 -0.179 0.000 1.106 551 R CA 1.322 57.338 56.100 -0.141 0.000 0.869 551 R CB -0.027 30.154 30.300 -0.199 0.000 0.789 551 R HN -0.082 nan 8.270 nan 0.000 0.447 552 E N -0.186 119.824 120.200 -0.316 0.000 2.390 552 E HA 0.100 4.452 4.350 0.004 0.000 0.261 552 E C -1.113 175.248 176.600 -0.398 0.000 1.076 552 E CA 0.194 56.333 56.400 -0.434 0.000 0.905 552 E CB 0.162 29.474 29.700 -0.647 0.000 0.984 552 E HN 0.229 nan 8.360 nan 0.000 0.427 553 Y N -0.625 119.635 120.300 -0.067 0.000 2.745 553 Y HA -0.209 4.343 4.550 0.004 0.000 0.075 553 Y C -0.415 175.463 175.900 -0.037 0.000 1.883 553 Y CA -0.160 57.917 58.100 -0.038 0.000 1.216 553 Y CB -1.366 37.066 38.460 -0.045 0.000 1.866 553 Y HN 0.315 nan 8.280 nan 0.000 0.294 554 K N 2.313 122.769 120.400 0.093 0.000 2.155 554 K HA 0.544 4.866 4.320 0.004 0.000 0.240 554 K C -0.513 176.146 176.600 0.097 0.000 1.193 554 K CA -0.155 56.173 56.287 0.068 0.000 1.104 554 K CB 0.169 32.695 32.500 0.043 0.000 1.558 554 K HN 0.416 nan 8.250 nan 0.000 0.313 555 V N -2.221 117.744 119.914 0.086 0.000 3.049 555 V HA 0.325 4.448 4.120 0.004 0.000 0.309 555 V C -0.290 175.847 176.094 0.072 0.000 1.148 555 V CA -1.222 61.122 62.300 0.074 0.000 0.990 555 V CB 1.816 33.650 31.823 0.018 0.000 1.039 555 V HN 0.577 nan 8.190 nan 0.000 0.430 556 H N 4.089 123.160 119.070 0.001 0.000 2.899 556 H HA 0.338 4.896 4.556 0.004 0.000 0.303 556 H C -1.144 174.183 175.328 -0.002 0.000 1.042 556 H CA -0.198 55.853 56.048 0.005 0.000 1.479 556 H CB 1.008 30.776 29.762 0.009 0.000 1.493 556 H HN 0.500 nan 8.280 nan 0.000 0.534 557 I N 5.854 126.152 120.570 -0.454 0.000 2.307 557 I HA -0.050 4.122 4.170 0.004 0.000 0.289 557 I C 0.629 176.432 176.117 -0.523 0.000 1.021 557 I CA -0.616 60.472 61.300 -0.354 0.000 1.224 557 I CB 0.485 38.401 38.000 -0.139 0.000 1.376 557 I HN 0.605 nan 8.210 nan 0.000 0.470 558 N N 10.022 128.518 118.700 -0.340 0.000 2.416 558 N HA 0.104 4.846 4.740 0.004 0.000 0.271 558 N C -1.832 173.703 175.510 0.041 0.000 1.245 558 N CA -1.463 51.523 53.050 -0.108 0.000 0.940 558 N CB 1.107 39.614 38.487 0.035 0.000 1.175 558 N HN 0.257 nan 8.380 nan 0.000 0.483 559 P HA 0.013 nan 4.420 nan 0.000 0.226 559 P C -0.086 177.155 177.300 -0.098 0.000 1.153 559 P CA 1.054 64.155 63.100 0.001 0.000 0.777 559 P CB 0.204 31.899 31.700 -0.009 0.000 0.794 560 N N -1.028 117.657 118.700 -0.024 0.000 2.336 560 N HA 0.005 4.747 4.740 0.004 0.000 0.189 560 N C 0.268 175.783 175.510 0.008 0.000 1.113 560 N CA -0.102 52.936 53.050 -0.020 0.000 0.858 560 N CB -0.047 38.449 38.487 0.014 0.000 0.970 560 N HN 0.140 nan 8.380 nan 0.000 0.471 561 S N 0.387 116.098 115.700 0.018 0.000 2.603 561 S HA 0.183 4.655 4.470 0.004 0.000 0.268 561 S C 0.088 174.633 174.600 -0.092 0.000 1.317 561 S CA -0.993 57.207 58.200 -0.001 0.000 1.012 561 S CB 1.128 64.363 63.200 0.060 0.000 0.926 561 S HN 0.239 nan 8.310 nan 0.000 0.539 562 L N 2.399 123.408 121.223 -0.357 0.000 2.477 562 L HA 0.307 4.649 4.340 0.004 0.000 0.272 562 L C -1.026 175.829 176.870 -0.025 0.000 1.157 562 L CA -0.518 53.961 54.840 -0.601 0.000 0.889 562 L CB -0.330 41.120 42.059 -1.015 0.000 1.158 562 L HN 0.622 nan 8.230 nan 0.000 0.473 563 F N 4.083 123.906 119.950 -0.212 0.000 2.439 563 F HA 0.181 4.710 4.527 0.004 0.000 0.356 563 F C 0.476 176.225 175.800 -0.084 0.000 1.161 563 F CA -0.775 57.170 58.000 -0.093 0.000 1.151 563 F CB -0.083 38.911 39.000 -0.009 0.000 1.222 563 F HN 0.467 nan 8.300 nan 0.000 0.558 564 D N 3.777 124.187 120.400 0.016 0.000 2.412 564 D HA 0.306 4.949 4.640 0.004 0.000 0.224 564 D C -1.068 175.186 176.300 -0.078 0.000 1.093 564 D CA -0.051 53.918 54.000 -0.050 0.000 0.850 564 D CB 1.277 42.030 40.800 -0.078 0.000 1.046 564 D HN 0.293 nan 8.370 nan 0.000 0.507 565 V N 3.180 123.038 119.914 -0.093 0.000 2.588 565 V HA 0.535 4.657 4.120 0.004 0.000 0.304 565 V C -1.432 174.539 176.094 -0.204 0.000 1.042 565 V CA -0.668 61.565 62.300 -0.111 0.000 0.877 565 V CB 1.812 33.633 31.823 -0.004 0.000 0.996 565 V HN 0.535 nan 8.190 nan 0.000 0.425 566 Q N 4.744 124.437 119.800 -0.178 0.000 2.339 566 Q HA 0.675 5.017 4.340 0.004 0.000 0.268 566 Q C -1.390 174.474 176.000 -0.227 0.000 1.027 566 Q CA -0.720 54.964 55.803 -0.198 0.000 0.759 566 Q CB 1.998 30.648 28.738 -0.147 0.000 1.244 566 Q HN 1.139 nan 8.270 nan 0.000 0.464 567 V N 1.706 121.474 119.914 -0.243 0.000 2.325 567 V HA 0.704 4.827 4.120 0.004 0.000 0.280 567 V C -0.978 174.926 176.094 -0.316 0.000 1.016 567 V CA -0.717 61.302 62.300 -0.470 0.000 0.818 567 V CB 1.007 32.289 31.823 -0.902 0.000 1.019 567 V HN 0.518 nan 8.190 nan 0.000 0.434 568 K N 2.808 123.070 120.400 -0.230 0.000 2.532 568 K HA 0.495 4.817 4.320 0.004 0.000 0.265 568 K C -0.476 176.102 176.600 -0.037 0.000 0.948 568 K CA -0.861 55.367 56.287 -0.099 0.000 0.842 568 K CB 2.940 35.371 32.500 -0.115 0.000 1.392 568 K HN 0.915 nan 8.250 nan 0.000 0.436 569 R N 2.048 122.558 120.500 0.018 0.000 2.566 569 R HA -0.028 4.315 4.340 0.004 0.000 0.273 569 R C -0.058 176.261 176.300 0.033 0.000 0.981 569 R CA -0.015 56.121 56.100 0.061 0.000 1.091 569 R CB 0.206 30.547 30.300 0.067 0.000 0.924 569 R HN 0.371 nan 8.270 nan 0.000 0.411 570 I N 5.655 126.276 120.570 0.086 0.000 2.421 570 I HA 0.134 4.307 4.170 0.004 0.000 0.291 570 I C 0.359 176.516 176.117 0.066 0.000 1.089 570 I CA 0.543 61.869 61.300 0.044 0.000 1.354 570 I CB -0.275 37.757 38.000 0.053 0.000 1.413 570 I HN 0.646 nan 8.210 nan 0.000 0.513 571 H N 4.705 123.707 119.070 -0.113 0.000 3.037 571 H HA 0.228 4.786 4.556 0.004 0.000 0.355 571 H C 0.442 175.656 175.328 -0.190 0.000 1.263 571 H CA -0.403 55.611 56.048 -0.058 0.000 1.129 571 H CB 1.881 31.515 29.762 -0.212 0.000 1.861 571 H HN 0.539 nan 8.280 nan 0.000 0.546 572 E N 1.271 121.532 120.200 0.102 0.000 2.058 572 E HA -0.235 4.118 4.350 0.004 0.000 0.194 572 E C 1.494 177.935 176.600 -0.264 0.000 0.997 572 E CA 2.197 58.611 56.400 0.023 0.000 0.801 572 E CB -0.082 29.739 29.700 0.201 0.000 0.746 572 E HN 0.579 nan 8.360 nan 0.000 0.450 573 Y N -0.142 119.817 120.300 -0.567 0.000 2.395 573 Y HA 0.095 4.647 4.550 0.004 0.000 0.293 573 Y C 1.951 177.591 175.900 -0.435 0.000 1.123 573 Y CA 0.535 57.965 58.100 -1.118 0.000 1.227 573 Y CB 0.012 37.607 38.460 -1.442 0.000 1.012 573 Y HN -0.210 nan 8.280 nan 0.000 0.552 574 K N 0.886 120.821 120.400 -0.776 0.000 2.097 574 K HA -0.039 4.283 4.320 0.004 0.000 0.205 574 K C 0.854 177.307 176.600 -0.245 0.000 1.050 574 K CA 1.558 57.533 56.287 -0.519 0.000 0.938 574 K CB -0.070 32.129 32.500 -0.502 0.000 0.718 574 K HN 0.406 nan 8.250 nan 0.000 0.442 575 R N -1.178 119.199 120.500 -0.204 0.000 3.586 575 R HA -0.138 4.204 4.340 0.004 0.000 0.454 575 R C 0.803 177.037 176.300 -0.109 0.000 1.008 575 R CA 0.702 56.723 56.100 -0.132 0.000 1.075 575 R CB -1.568 28.663 30.300 -0.115 0.000 1.789 575 R HN 0.310 nan 8.270 nan 0.000 0.504 576 Q N 0.694 120.431 119.800 -0.105 0.000 2.389 576 Q HA -0.192 4.150 4.340 0.004 0.000 0.213 576 Q C 1.596 177.557 176.000 -0.065 0.000 0.989 576 Q CA 1.573 57.327 55.803 -0.080 0.000 0.891 576 Q CB -0.232 28.470 28.738 -0.062 0.000 0.923 576 Q HN 0.619 nan 8.270 nan 0.000 0.455 577 L N 0.017 121.203 121.223 -0.063 0.000 2.127 577 L HA -0.195 4.147 4.340 0.004 0.000 0.211 577 L C 2.373 179.247 176.870 0.007 0.000 1.089 577 L CA 0.750 55.567 54.840 -0.038 0.000 0.757 577 L CB -0.437 41.608 42.059 -0.023 0.000 0.899 577 L HN 0.195 nan 8.230 nan 0.000 0.434 578 L N 0.012 121.223 121.223 -0.019 0.000 2.017 578 L HA -0.250 4.092 4.340 0.004 0.000 0.208 578 L C 2.114 179.003 176.870 0.031 0.000 1.073 578 L CA 1.958 56.779 54.840 -0.031 0.000 0.745 578 L CB -0.760 41.163 42.059 -0.227 0.000 0.894 578 L HN 0.284 nan 8.230 nan 0.000 0.432 579 N N -1.554 117.139 118.700 -0.012 0.000 2.094 579 N HA -0.265 4.477 4.740 0.004 0.000 0.191 579 N C 1.896 177.477 175.510 0.118 0.000 1.023 579 N CA 1.761 54.890 53.050 0.132 0.000 0.857 579 N CB -0.133 38.378 38.487 0.040 0.000 1.013 579 N HN 0.509 nan 8.380 nan 0.000 0.426 580 C N 0.417 119.730 119.300 0.021 0.000 2.425 580 C HA -0.045 4.417 4.460 0.004 0.000 0.277 580 C C 2.572 177.560 174.990 -0.002 0.000 1.280 580 C CA 0.263 59.250 59.018 -0.051 0.000 1.744 580 C CB -1.215 26.442 27.740 -0.138 0.000 1.989 580 C HN 0.500 nan 8.230 nan 0.000 0.491 581 L N -0.201 121.087 121.223 0.109 0.000 2.093 581 L HA -0.181 4.162 4.340 0.004 0.000 0.208 581 L C 2.784 179.808 176.870 0.257 0.000 1.085 581 L CA 1.704 56.668 54.840 0.207 0.000 0.755 581 L CB -1.018 41.256 42.059 0.359 0.000 0.904 581 L HN 0.588 nan 8.230 nan 0.000 0.435 582 H N -0.026 119.137 119.070 0.154 0.000 2.326 582 H HA -0.125 4.433 4.556 0.004 0.000 0.301 582 H C 2.253 177.568 175.328 -0.021 0.000 1.081 582 H CA 1.782 57.838 56.048 0.015 0.000 1.334 582 H CB 0.295 30.016 29.762 -0.068 0.000 1.385 582 H HN 0.077 nan 8.280 nan 0.000 0.504 583 V N 1.576 121.396 119.914 -0.157 0.000 2.380 583 V HA -0.278 3.844 4.120 0.004 0.000 0.251 583 V C 2.719 178.727 176.094 -0.142 0.000 1.063 583 V CA 1.966 64.135 62.300 -0.217 0.000 1.055 583 V CB -0.458 31.286 31.823 -0.132 0.000 0.657 583 V HN 0.401 nan 8.190 nan 0.000 0.455 584 I N -0.721 119.809 120.570 -0.068 0.000 2.406 584 I HA -0.135 4.037 4.170 0.004 0.000 0.249 584 I C 2.448 178.620 176.117 0.092 0.000 1.122 584 I CA 1.272 62.603 61.300 0.051 0.000 1.431 584 I CB -0.741 37.278 38.000 0.030 0.000 1.087 584 I HN 0.276 nan 8.210 nan 0.000 0.424 585 T N 1.676 116.247 114.554 0.028 0.000 2.635 585 T HA -0.205 4.147 4.350 0.004 0.000 0.267 585 T C 1.933 176.600 174.700 -0.054 0.000 1.040 585 T CA 1.440 63.549 62.100 0.015 0.000 1.156 585 T CB -0.404 68.488 68.868 0.039 0.000 0.863 585 T HN 0.101 nan 8.240 nan 0.000 0.430 586 L N 0.027 121.155 121.223 -0.159 0.000 2.013 586 L HA -0.090 4.253 4.340 0.004 0.000 0.212 586 L C 2.196 179.033 176.870 -0.055 0.000 1.073 586 L CA 1.676 56.412 54.840 -0.173 0.000 0.753 586 L CB -0.936 40.935 42.059 -0.313 0.000 0.890 586 L HN 0.310 nan 8.230 nan 0.000 0.432 587 Y N 0.483 120.717 120.300 -0.110 0.000 2.097 587 Y HA -0.323 4.229 4.550 0.004 0.000 0.282 587 Y C 2.514 178.391 175.900 -0.038 0.000 1.152 587 Y CA 2.095 60.168 58.100 -0.046 0.000 1.136 587 Y CB -0.516 37.958 38.460 0.024 0.000 0.975 587 Y HN 0.305 nan 8.280 nan 0.000 0.498 588 N N 0.413 119.040 118.700 -0.121 0.000 2.094 588 N HA -0.189 4.553 4.740 0.004 0.000 0.191 588 N C 1.990 177.381 175.510 -0.200 0.000 1.023 588 N CA 1.772 54.692 53.050 -0.216 0.000 0.857 588 N CB -0.466 37.967 38.487 -0.089 0.000 1.013 588 N HN 0.378 nan 8.380 nan 0.000 0.426 589 R N 0.311 120.731 120.500 -0.134 0.000 2.081 589 R HA 0.047 4.389 4.340 0.004 0.000 0.235 589 R C 2.285 178.506 176.300 -0.133 0.000 1.131 589 R CA 0.887 56.918 56.100 -0.115 0.000 0.960 589 R CB -0.300 29.947 30.300 -0.088 0.000 0.856 589 R HN 0.225 nan 8.270 nan 0.000 0.436 590 I N 0.671 121.149 120.570 -0.154 0.000 2.142 590 I HA -0.301 3.871 4.170 0.004 0.000 0.240 590 I C 2.334 178.343 176.117 -0.179 0.000 1.078 590 I CA 1.276 62.486 61.300 -0.148 0.000 1.343 590 I CB -0.220 37.706 38.000 -0.123 0.000 1.046 590 I HN 0.028 nan 8.210 nan 0.000 0.405 591 K N 0.762 120.983 120.400 -0.298 0.000 2.218 591 K HA -0.248 4.074 4.320 0.004 0.000 0.205 591 K C 2.080 178.572 176.600 -0.181 0.000 1.046 591 K CA 1.420 57.532 56.287 -0.292 0.000 0.933 591 K CB -0.176 32.021 32.500 -0.504 0.000 0.728 591 K HN 0.319 nan 8.250 nan 0.000 0.454 592 K N 0.672 120.975 120.400 -0.163 0.000 2.098 592 K HA -0.042 4.281 4.320 0.004 0.000 0.203 592 K C 0.039 176.592 176.600 -0.079 0.000 1.051 592 K CA 0.867 57.089 56.287 -0.110 0.000 0.957 592 K CB 0.409 32.848 32.500 -0.103 0.000 0.738 592 K HN 0.004 nan 8.250 nan 0.000 0.447 593 E N 0.614 120.768 120.200 -0.078 0.000 3.037 593 E HA 0.127 4.479 4.350 0.004 0.000 0.220 593 E C -2.324 174.244 176.600 -0.054 0.000 1.142 593 E CA -1.681 54.687 56.400 -0.054 0.000 0.888 593 E CB 1.714 31.389 29.700 -0.041 0.000 1.329 593 E HN 0.150 nan 8.360 nan 0.000 0.409 594 P HA -0.120 nan 4.420 nan 0.000 0.222 594 P C 0.624 177.905 177.300 -0.031 0.000 1.147 594 P CA 0.922 63.992 63.100 -0.049 0.000 0.790 594 P CB 0.298 31.973 31.700 -0.041 0.000 0.780 595 N N -1.068 117.621 118.700 -0.017 0.000 2.336 595 N HA -0.005 4.738 4.740 0.004 0.000 0.189 595 N C 0.562 176.083 175.510 0.019 0.000 1.113 595 N CA 0.353 53.404 53.050 0.002 0.000 0.858 595 N CB 0.004 38.494 38.487 0.005 0.000 0.970 595 N HN 0.145 nan 8.380 nan 0.000 0.471 596 K N 1.395 121.799 120.400 0.006 0.000 2.451 596 K HA 0.006 4.328 4.320 0.004 0.000 0.280 596 K C -0.139 176.485 176.600 0.040 0.000 1.020 596 K CA -0.226 56.078 56.287 0.028 0.000 1.008 596 K CB 0.268 32.765 32.500 -0.005 0.000 0.917 596 K HN 0.023 nan 8.250 nan 0.000 0.478 597 F N 3.795 123.736 119.950 -0.016 0.000 2.538 597 F HA 0.118 4.647 4.527 0.004 0.000 0.371 597 F C -0.312 175.478 175.800 -0.016 0.000 1.087 597 F CA 0.002 57.994 58.000 -0.013 0.000 1.250 597 F CB 0.550 39.545 39.000 -0.009 0.000 1.110 597 F HN 0.087 nan 8.300 nan 0.000 0.570 598 V N 6.970 126.250 119.914 -1.056 0.000 2.808 598 V HA 0.262 4.384 4.120 0.004 0.000 0.308 598 V C -0.961 174.535 176.094 -0.997 0.000 1.099 598 V CA -1.014 60.830 62.300 -0.761 0.000 0.920 598 V CB 2.191 33.800 31.823 -0.356 0.000 1.014 598 V HN 0.587 nan 8.190 nan 0.000 0.425 599 V N 8.290 127.839 119.914 -0.608 0.000 2.421 599 V HA 0.197 4.320 4.120 0.004 0.000 0.271 599 V C -1.799 174.141 176.094 -0.257 0.000 1.031 599 V CA -1.116 60.984 62.300 -0.333 0.000 1.032 599 V CB 1.020 32.793 31.823 -0.085 0.000 1.009 599 V HN 0.741 nan 8.190 nan 0.000 0.477 600 P HA 0.207 nan 4.420 nan 0.000 0.266 600 P C -0.529 176.684 177.300 -0.144 0.000 1.195 600 P CA -0.006 63.007 63.100 -0.145 0.000 0.768 600 P CB 0.662 32.313 31.700 -0.081 0.000 0.838 601 R N 0.725 121.152 120.500 -0.121 0.000 2.628 601 R HA 0.482 4.824 4.340 0.004 0.000 0.288 601 R C -0.500 175.751 176.300 -0.082 0.000 0.980 601 R CA -0.585 55.446 56.100 -0.116 0.000 0.891 601 R CB 1.743 31.962 30.300 -0.135 0.000 1.188 601 R HN 0.312 nan 8.270 nan 0.000 0.450 602 T N 2.509 117.030 114.554 -0.056 0.000 2.781 602 T HA 0.210 4.562 4.350 0.004 0.000 0.305 602 T C -0.113 174.474 174.700 -0.189 0.000 1.001 602 T CA -0.467 61.535 62.100 -0.163 0.000 0.950 602 T CB 0.828 69.496 68.868 -0.334 0.000 0.955 602 T HN 0.132 nan 8.240 nan 0.000 0.471 603 V N 5.913 125.729 119.914 -0.164 0.000 2.432 603 V HA 0.385 4.508 4.120 0.004 0.000 0.271 603 V C 0.129 176.121 176.094 -0.170 0.000 1.046 603 V CA -0.260 61.955 62.300 -0.142 0.000 0.945 603 V CB 0.660 32.418 31.823 -0.108 0.000 0.992 603 V HN 0.856 nan 8.190 nan 0.000 0.471 604 M N 6.592 126.093 119.600 -0.165 0.000 2.190 604 M HA 0.607 5.090 4.480 0.004 0.000 0.312 604 M C -1.068 175.134 176.300 -0.164 0.000 0.990 604 M CA -0.090 55.103 55.300 -0.179 0.000 0.927 604 M CB 2.024 34.521 32.600 -0.171 0.000 1.571 604 M HN 0.440 nan 8.290 nan 0.000 0.427 605 I N 1.893 122.355 120.570 -0.180 0.000 2.545 605 I HA 0.867 5.040 4.170 0.004 0.000 0.292 605 I C 0.111 175.978 176.117 -0.416 0.000 1.040 605 I CA -0.693 60.498 61.300 -0.181 0.000 1.068 605 I CB 2.294 40.277 38.000 -0.028 0.000 1.251 605 I HN 0.765 nan 8.210 nan 0.000 0.424 606 G N 2.792 111.327 108.800 -0.443 0.000 2.696 606 G HA2 0.828 4.790 3.960 0.004 0.000 0.295 606 G HA3 0.828 4.790 3.960 0.004 0.000 0.295 606 G C -0.965 173.720 174.900 -0.359 0.000 1.398 606 G CA -0.616 44.101 45.100 -0.639 0.000 0.920 606 G HN 1.019 nan 8.290 nan 0.000 0.492 607 G N -0.387 108.339 108.800 -0.124 0.000 2.350 607 G HA2 0.419 4.382 3.960 0.004 0.000 0.304 607 G HA3 0.419 4.382 3.960 0.004 0.000 0.304 607 G C -1.482 173.590 174.900 0.287 0.000 1.421 607 G CA -0.994 44.169 45.100 0.105 0.000 0.934 607 G HN 0.615 nan 8.290 nan 0.000 0.632 608 K N -0.406 120.151 120.400 0.262 0.000 2.156 608 K HA 0.775 5.097 4.320 0.004 0.000 0.250 608 K C -0.108 176.661 176.600 0.282 0.000 0.955 608 K CA -0.419 56.054 56.287 0.310 0.000 0.855 608 K CB 2.313 34.951 32.500 0.230 0.000 1.101 608 K HN 0.897 nan 8.250 nan 0.000 0.434 609 A N 1.291 124.300 122.820 0.315 0.000 2.304 609 A HA 0.623 4.945 4.320 0.004 0.000 0.323 609 A C -0.454 177.322 177.584 0.321 0.000 1.195 609 A CA -0.692 51.482 52.037 0.229 0.000 0.826 609 A CB 1.025 20.081 19.000 0.094 0.000 1.184 609 A HN 0.767 nan 8.150 nan 0.000 0.496 610 A N 4.168 127.190 122.820 0.337 0.000 2.520 610 A HA 0.521 4.844 4.320 0.004 0.000 0.245 610 A C -2.364 175.368 177.584 0.247 0.000 1.072 610 A CA -0.817 51.420 52.037 0.333 0.000 0.761 610 A CB -0.673 18.511 19.000 0.307 0.000 1.004 610 A HN 0.574 nan 8.150 nan 0.000 0.499 611 P HA 0.286 nan 4.420 nan 0.000 0.266 611 P C 1.068 178.443 177.300 0.125 0.000 1.195 611 P CA 1.622 64.758 63.100 0.059 0.000 0.768 611 P CB 0.726 32.411 31.700 -0.023 0.000 0.838 612 G N 1.261 110.129 108.800 0.114 0.000 2.176 612 G HA2 -0.267 3.695 3.960 0.004 0.000 0.253 612 G HA3 -0.267 3.695 3.960 0.004 0.000 0.253 612 G C -0.327 174.705 174.900 0.221 0.000 0.979 612 G CA -0.330 44.851 45.100 0.135 0.000 0.641 612 G HN 0.544 nan 8.290 nan 0.000 0.530 613 Y N 2.303 122.644 120.300 0.068 0.000 2.595 613 Y HA 0.525 5.077 4.550 0.004 0.000 0.336 613 Y C 1.222 177.167 175.900 0.075 0.000 0.996 613 Y CA -1.195 56.943 58.100 0.062 0.000 1.260 613 Y CB -0.111 38.367 38.460 0.030 0.000 1.108 613 Y HN 0.321 nan 8.280 nan 0.000 0.509 614 H N 4.427 123.592 119.070 0.158 0.000 2.363 614 H HA -0.126 4.432 4.556 0.004 0.000 0.301 614 H C 1.587 176.872 175.328 -0.072 0.000 1.074 614 H CA 1.928 57.998 56.048 0.035 0.000 1.354 614 H CB 0.415 30.218 29.762 0.069 0.000 1.397 614 H HN 0.671 nan 8.280 nan 0.000 0.516 615 M N 1.067 120.633 119.600 -0.057 0.000 2.149 615 M HA -0.093 4.389 4.480 0.004 0.000 0.261 615 M C 2.521 178.540 176.300 -0.468 0.000 1.064 615 M CA 1.749 56.931 55.300 -0.197 0.000 1.102 615 M CB -0.643 31.916 32.600 -0.069 0.000 1.369 615 M HN 0.335 nan 8.290 nan 0.000 0.408 616 A N -0.553 121.723 122.820 -0.906 0.000 1.877 616 A HA -0.215 4.107 4.320 0.004 0.000 0.216 616 A C 2.205 179.599 177.584 -0.316 0.000 1.186 616 A CA 2.047 53.681 52.037 -0.671 0.000 0.620 616 A CB -0.671 17.860 19.000 -0.782 0.000 0.822 616 A HN 0.540 nan 8.150 nan 0.000 0.443 617 K N -1.179 119.072 120.400 -0.248 0.000 2.152 617 K HA -0.110 4.213 4.320 0.004 0.000 0.206 617 K C 2.034 178.587 176.600 -0.079 0.000 1.048 617 K CA 1.588 57.808 56.287 -0.111 0.000 0.933 617 K CB -0.188 32.277 32.500 -0.058 0.000 0.721 617 K HN 0.363 nan 8.250 nan 0.000 0.447 618 M N 0.113 119.620 119.600 -0.154 0.000 2.200 618 M HA -0.058 4.424 4.480 0.004 0.000 0.265 618 M C 2.096 178.367 176.300 -0.049 0.000 1.066 618 M CA 1.403 56.670 55.300 -0.054 0.000 1.127 618 M CB -0.608 31.959 32.600 -0.056 0.000 1.379 618 M HN 0.125 nan 8.290 nan 0.000 0.420 619 I N 0.256 120.751 120.570 -0.125 0.000 2.163 619 I HA -0.330 3.842 4.170 0.004 0.000 0.243 619 I C 2.335 178.338 176.117 -0.190 0.000 1.085 619 I CA 1.317 62.531 61.300 -0.143 0.000 1.347 619 I CB -0.409 37.499 38.000 -0.154 0.000 1.044 619 I HN 0.176 nan 8.210 nan 0.000 0.408 620 I N 0.490 120.915 120.570 -0.243 0.000 2.208 620 I HA -0.313 3.860 4.170 0.004 0.000 0.245 620 I C 2.602 178.461 176.117 -0.430 0.000 1.097 620 I CA 1.271 62.308 61.300 -0.439 0.000 1.363 620 I CB -0.353 37.344 38.000 -0.504 0.000 1.051 620 I HN 0.165 nan 8.210 nan 0.000 0.413 621 K N 1.493 121.686 120.400 -0.345 0.000 2.032 621 K HA -0.169 4.154 4.320 0.004 0.000 0.209 621 K C 2.067 178.573 176.600 -0.157 0.000 1.048 621 K CA 1.534 57.567 56.287 -0.424 0.000 0.927 621 K CB -0.583 31.504 32.500 -0.689 0.000 0.712 621 K HN 0.212 nan 8.250 nan 0.000 0.441 622 L N 0.372 121.548 121.223 -0.079 0.000 2.012 622 L HA -0.212 4.130 4.340 0.004 0.000 0.210 622 L C 2.202 178.857 176.870 -0.358 0.000 1.073 622 L CA 1.795 56.398 54.840 -0.397 0.000 0.748 622 L CB -0.291 41.473 42.059 -0.492 0.000 0.891 622 L HN 0.289 nan 8.230 nan 0.000 0.431 623 I N -0.396 120.010 120.570 -0.273 0.000 2.226 623 I HA -0.304 3.868 4.170 0.004 0.000 0.245 623 I C 2.549 178.561 176.117 -0.176 0.000 1.100 623 I CA 1.848 63.026 61.300 -0.203 0.000 1.374 623 I CB -0.478 37.470 38.000 -0.086 0.000 1.057 623 I HN 0.410 nan 8.210 nan 0.000 0.413 624 T N -1.253 113.183 114.554 -0.196 0.000 2.951 624 T HA 0.046 4.398 4.350 0.004 0.000 0.268 624 T C 1.881 176.518 174.700 -0.106 0.000 1.073 624 T CA 0.797 62.816 62.100 -0.133 0.000 1.134 624 T CB -0.252 68.514 68.868 -0.170 0.000 0.884 624 T HN 0.323 nan 8.240 nan 0.000 0.479 625 A N 1.255 124.002 122.820 -0.122 0.000 1.970 625 A HA 0.298 4.621 4.320 0.004 0.000 0.216 625 A C 2.279 179.844 177.584 -0.031 0.000 1.170 625 A CA 0.607 52.629 52.037 -0.024 0.000 0.645 625 A CB -0.640 18.428 19.000 0.114 0.000 0.816 625 A HN 0.543 nan 8.150 nan 0.000 0.447 626 I N -0.075 120.353 120.570 -0.236 0.000 2.226 626 I HA -0.193 3.979 4.170 0.004 0.000 0.245 626 I C 2.720 178.750 176.117 -0.144 0.000 1.100 626 I CA 1.127 62.238 61.300 -0.316 0.000 1.374 626 I CB -0.633 37.068 38.000 -0.500 0.000 1.057 626 I HN 0.376 nan 8.210 nan 0.000 0.413 627 G N 0.633 109.355 108.800 -0.130 0.000 2.469 627 G HA2 -0.283 3.680 3.960 0.004 0.000 0.219 627 G HA3 -0.283 3.680 3.960 0.004 0.000 0.219 627 G C 1.273 176.141 174.900 -0.052 0.000 1.150 627 G CA 1.190 46.230 45.100 -0.100 0.000 0.763 627 G HN 0.295 nan 8.290 nan 0.000 0.561 628 D N 0.012 120.430 120.400 0.030 0.000 2.117 628 D HA -0.078 4.564 4.640 0.004 0.000 0.197 628 D C 2.774 179.178 176.300 0.173 0.000 0.987 628 D CA 0.825 54.919 54.000 0.157 0.000 0.829 628 D CB -0.326 40.542 40.800 0.113 0.000 0.961 628 D HN 0.253 nan 8.370 nan 0.000 0.460 629 V N 1.121 121.081 119.914 0.076 0.000 2.239 629 V HA -0.188 3.934 4.120 0.004 0.000 0.242 629 V C 2.791 178.857 176.094 -0.047 0.000 1.038 629 V CA 1.665 63.980 62.300 0.026 0.000 1.002 629 V CB -0.814 31.028 31.823 0.032 0.000 0.641 629 V HN 0.149 nan 8.190 nan 0.000 0.449 630 V N 0.003 119.807 119.914 -0.182 0.000 2.332 630 V HA -0.223 3.899 4.120 0.004 0.000 0.248 630 V C 1.963 177.997 176.094 -0.101 0.000 1.055 630 V CA 2.514 64.694 62.300 -0.200 0.000 1.038 630 V CB -1.164 30.509 31.823 -0.250 0.000 0.651 630 V HN 0.570 nan 8.190 nan 0.000 0.450 631 N N 0.272 118.847 118.700 -0.209 0.000 2.515 631 N HA -0.030 4.712 4.740 0.004 0.000 0.185 631 N C 0.967 176.162 175.510 -0.525 0.000 1.109 631 N CA 1.326 54.161 53.050 -0.359 0.000 0.903 631 N CB -0.445 37.760 38.487 -0.470 0.000 0.969 631 N HN 0.830 nan 8.380 nan 0.000 0.450 632 H N -1.609 117.472 119.070 0.019 0.000 2.662 632 H HA 0.216 4.775 4.556 0.004 0.000 0.268 632 H C -0.678 174.673 175.328 0.038 0.000 1.152 632 H CA -0.536 55.526 56.048 0.023 0.000 1.072 632 H CB 0.645 30.412 29.762 0.010 0.000 1.660 632 H HN -0.060 nan 8.280 nan 0.000 0.584 633 D N 1.603 122.074 120.400 0.119 0.000 2.313 633 D HA 0.074 4.716 4.640 0.004 0.000 0.239 633 D C -1.602 174.757 176.300 0.099 0.000 1.142 633 D CA -2.340 51.744 54.000 0.140 0.000 0.847 633 D CB 1.730 42.678 40.800 0.247 0.000 1.082 633 D HN 0.092 nan 8.370 nan 0.000 0.480 634 P HA -0.110 nan 4.420 nan 0.000 0.218 634 P C 1.509 178.833 177.300 0.039 0.000 1.149 634 P CA 0.386 63.516 63.100 0.050 0.000 0.817 634 P CB 0.409 32.132 31.700 0.039 0.000 0.785 635 V N -0.568 119.371 119.914 0.042 0.000 2.490 635 V HA -0.161 3.962 4.120 0.004 0.000 0.250 635 V C 2.345 178.448 176.094 0.015 0.000 1.061 635 V CA 1.527 63.838 62.300 0.018 0.000 1.064 635 V CB -1.092 30.732 31.823 0.001 0.000 0.670 635 V HN -0.010 nan 8.190 nan 0.000 0.461 636 V N -0.006 119.937 119.914 0.049 0.000 2.871 636 V HA 0.137 4.259 4.120 0.004 0.000 0.256 636 V C 1.905 178.013 176.094 0.023 0.000 1.082 636 V CA 1.221 63.550 62.300 0.047 0.000 1.105 636 V CB -1.109 30.786 31.823 0.120 0.000 0.713 636 V HN 0.708 nan 8.190 nan 0.000 0.473 637 G N 1.990 110.805 108.800 0.025 0.000 2.629 637 G HA2 -0.387 3.576 3.960 0.004 0.000 0.313 637 G HA3 -0.387 3.576 3.960 0.004 0.000 0.313 637 G C 0.278 175.197 174.900 0.032 0.000 1.217 637 G CA 0.606 45.718 45.100 0.020 0.000 0.994 637 G HN 0.753 nan 8.290 nan 0.000 0.549 638 D N -0.066 120.358 120.400 0.039 0.000 2.891 638 D HA 0.443 5.085 4.640 0.004 0.000 0.312 638 D C 1.375 177.688 176.300 0.022 0.000 1.354 638 D CA -0.270 53.768 54.000 0.063 0.000 0.838 638 D CB 0.238 41.139 40.800 0.169 0.000 1.117 638 D HN 0.525 nan 8.370 nan 0.000 0.473 639 R N -0.413 120.081 120.500 -0.010 0.000 2.140 639 R HA 0.361 4.703 4.340 0.004 0.000 0.213 639 R C 0.486 176.750 176.300 -0.061 0.000 1.059 639 R CA 0.428 56.497 56.100 -0.053 0.000 1.000 639 R CB 0.616 30.867 30.300 -0.080 0.000 0.910 639 R HN 0.193 nan 8.270 nan 0.000 0.455 640 L N 0.862 122.063 121.223 -0.037 0.000 2.381 640 L HA 0.534 4.877 4.340 0.004 0.000 0.268 640 L C -1.108 175.728 176.870 -0.057 0.000 0.997 640 L CA -0.907 53.903 54.840 -0.050 0.000 0.818 640 L CB 1.777 43.821 42.059 -0.025 0.000 1.310 640 L HN 0.077 nan 8.230 nan 0.000 0.416 641 R N 3.282 123.728 120.500 -0.091 0.000 2.533 641 R HA 0.506 4.849 4.340 0.004 0.000 0.288 641 R C -1.598 174.616 176.300 -0.145 0.000 1.039 641 R CA -0.640 55.388 56.100 -0.119 0.000 0.909 641 R CB 2.382 32.606 30.300 -0.127 0.000 1.195 641 R HN 0.298 nan 8.270 nan 0.000 0.438 642 V N 5.083 124.906 119.914 -0.151 0.000 2.384 642 V HA 0.560 4.682 4.120 0.004 0.000 0.287 642 V C 0.035 176.035 176.094 -0.157 0.000 1.020 642 V CA -0.640 61.570 62.300 -0.151 0.000 0.850 642 V CB 1.759 33.495 31.823 -0.146 0.000 0.987 642 V HN 0.576 nan 8.190 nan 0.000 0.436 643 I N 4.873 125.336 120.570 -0.179 0.000 2.466 643 I HA 0.410 4.582 4.170 0.004 0.000 0.289 643 I C -0.887 175.129 176.117 -0.168 0.000 1.026 643 I CA -0.433 60.727 61.300 -0.232 0.000 1.078 643 I CB 2.173 39.946 38.000 -0.379 0.000 1.249 643 I HN 0.555 nan 8.210 nan 0.000 0.429 644 F N 7.406 127.215 119.950 -0.234 0.000 2.404 644 F HA 0.471 5.000 4.527 0.004 0.000 0.358 644 F C -0.407 175.302 175.800 -0.151 0.000 1.120 644 F CA -0.421 57.489 58.000 -0.149 0.000 1.144 644 F CB 0.521 39.475 39.000 -0.076 0.000 1.133 644 F HN 0.220 nan 8.300 nan 0.000 0.495 645 L N 5.914 126.722 121.223 -0.692 0.000 2.369 645 L HA 0.168 4.511 4.340 0.004 0.000 0.279 645 L C 0.274 176.974 176.870 -0.283 0.000 1.108 645 L CA -0.088 54.546 54.840 -0.344 0.000 0.852 645 L CB 0.553 42.512 42.059 -0.167 0.000 1.169 645 L HN 0.614 nan 8.230 nan 0.000 0.452 646 E N 4.160 124.497 120.200 0.228 0.000 2.290 646 E HA -0.006 4.347 4.350 0.004 0.000 0.277 646 E C 0.172 176.929 176.600 0.262 0.000 1.035 646 E CA -0.261 56.339 56.400 0.333 0.000 0.873 646 E CB 0.356 30.297 29.700 0.401 0.000 1.029 646 E HN 0.552 nan 8.360 nan 0.000 0.419 647 N N 3.304 122.166 118.700 0.269 0.000 2.771 647 N HA -0.265 4.477 4.740 0.004 0.000 0.249 647 N C -1.651 173.971 175.510 0.186 0.000 1.069 647 N CA 0.389 53.574 53.050 0.225 0.000 0.688 647 N CB -1.614 36.988 38.487 0.192 0.000 0.928 647 N HN 0.529 nan 8.380 nan 0.000 0.551 648 Y N 1.793 122.131 120.300 0.063 0.000 2.717 648 Y HA 0.224 4.776 4.550 0.004 0.000 0.330 648 Y C 1.130 177.063 175.900 0.055 0.000 1.217 648 Y CA 1.002 59.122 58.100 0.033 0.000 1.506 648 Y CB 0.363 38.819 38.460 -0.007 0.000 1.268 648 Y HN 0.438 nan 8.280 nan 0.000 0.561 649 R N 2.415 122.519 120.500 -0.659 0.000 2.764 649 R HA 0.302 4.644 4.340 0.004 0.000 0.276 649 R C -0.863 175.061 176.300 -0.626 0.000 1.021 649 R CA -0.360 55.436 56.100 -0.506 0.000 0.870 649 R CB 0.112 30.293 30.300 -0.199 0.000 1.293 649 R HN 0.388 nan 8.270 nan 0.000 0.469 650 V N 1.137 120.676 119.914 -0.625 0.000 2.332 650 V HA -0.242 3.881 4.120 0.004 0.000 0.248 650 V C 2.388 178.302 176.094 -0.299 0.000 1.055 650 V CA 2.679 64.697 62.300 -0.470 0.000 1.038 650 V CB -0.761 30.733 31.823 -0.549 0.000 0.651 650 V HN 0.847 nan 8.190 nan 0.000 0.450 651 S N -0.784 114.754 115.700 -0.270 0.000 2.461 651 S HA 0.008 4.481 4.470 0.004 0.000 0.228 651 S C 1.939 176.449 174.600 -0.149 0.000 1.005 651 S CA 0.791 58.873 58.200 -0.197 0.000 0.942 651 S CB -0.281 62.828 63.200 -0.151 0.000 0.776 651 S HN 0.495 nan 8.310 nan 0.000 0.514 652 L N 1.216 122.351 121.223 -0.147 0.000 2.023 652 L HA 0.023 4.366 4.340 0.004 0.000 0.205 652 L C 3.000 179.830 176.870 -0.066 0.000 1.073 652 L CA 1.235 56.031 54.840 -0.075 0.000 0.745 652 L CB -0.963 41.105 42.059 0.015 0.000 0.900 652 L HN 0.433 nan 8.230 nan 0.000 0.435 653 A N 0.773 123.511 122.820 -0.136 0.000 1.909 653 A HA -0.315 4.007 4.320 0.004 0.000 0.221 653 A C 1.959 179.588 177.584 0.075 0.000 1.223 653 A CA 2.426 54.483 52.037 0.033 0.000 0.658 653 A CB -0.892 18.093 19.000 -0.025 0.000 0.831 653 A HN 0.737 nan 8.150 nan 0.000 0.462 654 E N -0.715 119.513 120.200 0.047 0.000 2.516 654 E HA -0.077 4.275 4.350 0.004 0.000 0.199 654 E C 1.551 178.092 176.600 -0.099 0.000 1.069 654 E CA 1.027 57.424 56.400 -0.005 0.000 0.876 654 E CB -0.080 29.473 29.700 -0.246 0.000 0.843 654 E HN 0.676 nan 8.360 nan 0.000 0.530 655 K N 0.288 120.601 120.400 -0.145 0.000 2.190 655 K HA 0.055 4.377 4.320 0.004 0.000 0.202 655 K C 2.047 178.353 176.600 -0.490 0.000 1.045 655 K CA 0.628 56.787 56.287 -0.213 0.000 0.976 655 K CB 0.299 32.691 32.500 -0.179 0.000 0.849 655 K HN -0.004 nan 8.250 nan 0.000 0.468 656 V N 1.661 121.223 119.914 -0.588 0.000 2.488 656 V HA -0.127 3.995 4.120 0.004 0.000 0.246 656 V C 1.855 177.693 176.094 -0.427 0.000 1.046 656 V CA 1.193 62.957 62.300 -0.893 0.000 1.053 656 V CB -0.133 31.359 31.823 -0.553 0.000 0.679 656 V HN 0.231 nan 8.190 nan 0.000 0.458 657 I N 0.732 121.117 120.570 -0.308 0.000 2.099 657 I HA -0.147 4.025 4.170 0.004 0.000 0.239 657 I C -0.135 175.861 176.117 -0.201 0.000 1.066 657 I CA 1.859 62.925 61.300 -0.391 0.000 1.324 657 I CB -1.576 36.090 38.000 -0.557 0.000 1.037 657 I HN 0.338 nan 8.210 nan 0.000 0.401 658 P HA -0.196 nan 4.420 nan 0.000 0.220 658 P C 1.024 178.304 177.300 -0.033 0.000 1.144 658 P CA 1.697 64.759 63.100 -0.063 0.000 0.800 658 P CB -0.056 31.610 31.700 -0.057 0.000 0.772 659 A N -1.260 121.518 122.820 -0.070 0.000 2.178 659 A HA 0.410 4.733 4.320 0.004 0.000 0.211 659 A C 1.262 178.944 177.584 0.164 0.000 1.157 659 A CA 0.313 52.372 52.037 0.036 0.000 0.780 659 A CB -0.741 18.281 19.000 0.038 0.000 0.828 659 A HN 0.220 nan 8.150 nan 0.000 0.476 660 A N 0.110 123.029 122.820 0.166 0.000 2.425 660 A HA 0.415 4.737 4.320 0.004 0.000 0.249 660 A C 0.398 178.140 177.584 0.264 0.000 1.084 660 A CA 0.072 52.277 52.037 0.280 0.000 0.781 660 A CB 0.267 19.530 19.000 0.438 0.000 1.019 660 A HN 0.330 nan 8.150 nan 0.000 0.490 661 D N 0.173 120.732 120.400 0.266 0.000 2.394 661 D HA 0.107 4.749 4.640 0.004 0.000 0.226 661 D C -0.071 176.490 176.300 0.434 0.000 0.990 661 D CA 0.576 54.807 54.000 0.386 0.000 0.902 661 D CB 0.386 41.285 40.800 0.166 0.000 1.038 661 D HN 0.329 nan 8.370 nan 0.000 0.499 662 L N 1.560 122.902 121.223 0.197 0.000 2.404 662 L HA 0.277 4.620 4.340 0.004 0.000 0.272 662 L C -0.978 175.807 176.870 -0.141 0.000 0.980 662 L CA -0.184 54.692 54.840 0.061 0.000 0.836 662 L CB 1.918 43.988 42.059 0.018 0.000 1.238 662 L HN -0.199 nan 8.230 nan 0.000 0.408 663 S N 4.756 120.277 115.700 -0.298 0.000 2.438 663 S HA 0.359 4.831 4.470 0.004 0.000 0.293 663 S C -0.266 174.083 174.600 -0.418 0.000 1.141 663 S CA -0.565 57.196 58.200 -0.731 0.000 1.080 663 S CB 0.674 63.240 63.200 -1.057 0.000 0.978 663 S HN 0.612 nan 8.310 nan 0.000 0.479 664 E N 4.150 124.124 120.200 -0.377 0.000 2.044 664 E HA 0.187 4.539 4.350 0.004 0.000 0.282 664 E C -0.514 175.996 176.600 -0.149 0.000 1.031 664 E CA -0.408 55.892 56.400 -0.167 0.000 0.824 664 E CB 0.957 30.590 29.700 -0.111 0.000 1.076 664 E HN 0.617 nan 8.360 nan 0.000 0.395 665 Q N 2.735 122.502 119.800 -0.055 0.000 2.851 665 Q HA 0.249 4.591 4.340 0.004 0.000 0.331 665 Q C 0.654 176.662 176.000 0.014 0.000 0.979 665 Q CA -0.110 55.671 55.803 -0.036 0.000 0.955 665 Q CB 0.118 28.845 28.738 -0.019 0.000 1.298 665 Q HN 0.616 nan 8.270 nan 0.000 0.432 666 I N -2.594 117.975 120.570 -0.002 0.000 3.736 666 I HA 0.355 4.527 4.170 0.004 0.000 0.338 666 I C -0.140 175.952 176.117 -0.042 0.000 1.558 666 I CA -0.513 60.800 61.300 0.023 0.000 1.147 666 I CB 0.642 38.667 38.000 0.041 0.000 1.275 666 I HN -0.178 nan 8.210 nan 0.000 0.454 667 S N 1.748 117.424 115.700 -0.040 0.000 2.549 667 S HA 0.133 4.605 4.470 0.004 0.000 0.283 667 S C 0.631 175.228 174.600 -0.004 0.000 1.320 667 S CA -0.099 58.097 58.200 -0.006 0.000 1.058 667 S CB 0.574 63.817 63.200 0.073 0.000 0.882 667 S HN 0.476 nan 8.310 nan 0.000 0.498 668 T N 3.783 118.358 114.554 0.035 0.000 2.849 668 T HA 0.129 4.481 4.350 0.004 0.000 0.289 668 T C 0.718 175.426 174.700 0.014 0.000 1.010 668 T CA -0.026 62.097 62.100 0.040 0.000 1.161 668 T CB -0.058 68.910 68.868 0.165 0.000 0.989 668 T HN 0.771 nan 8.240 nan 0.000 0.523 669 A N 3.053 125.847 122.820 -0.044 0.000 2.565 669 A HA 0.461 4.783 4.320 0.004 0.000 0.237 669 A C 1.679 179.244 177.584 -0.032 0.000 1.053 669 A CA 0.227 52.231 52.037 -0.055 0.000 0.755 669 A CB -0.731 18.221 19.000 -0.079 0.000 0.980 669 A HN 1.830 nan 8.150 nan 0.000 0.506 670 G N 1.224 110.003 108.800 -0.035 0.000 2.176 670 G HA2 -0.254 3.708 3.960 0.004 0.000 0.253 670 G HA3 -0.254 3.708 3.960 0.004 0.000 0.253 670 G C 0.864 175.733 174.900 -0.052 0.000 0.979 670 G CA 1.235 46.313 45.100 -0.037 0.000 0.641 670 G HN 2.039 nan 8.290 nan 0.000 0.530 671 T N -2.713 111.804 114.554 -0.061 0.000 3.037 671 T HA 0.395 4.747 4.350 0.004 0.000 0.251 671 T C 0.544 175.129 174.700 -0.193 0.000 1.079 671 T CA 0.737 62.734 62.100 -0.171 0.000 1.067 671 T CB 0.627 69.371 68.868 -0.206 0.000 0.948 671 T HN 0.254 nan 8.240 nan 0.000 0.496 672 E N 0.814 120.978 120.200 -0.060 0.000 2.151 672 E HA 0.623 4.975 4.350 0.004 0.000 0.275 672 E C 0.667 177.241 176.600 -0.043 0.000 0.936 672 E CA -0.223 56.165 56.400 -0.020 0.000 0.777 672 E CB 1.845 31.566 29.700 0.035 0.000 1.108 672 E HN 0.302 nan 8.360 nan 0.000 0.401 673 A N 2.666 125.434 122.820 -0.087 0.000 1.929 673 A HA -0.049 4.273 4.320 0.004 0.000 0.216 673 A C 1.517 179.039 177.584 -0.103 0.000 1.176 673 A CA 1.527 53.460 52.037 -0.173 0.000 0.628 673 A CB 0.290 18.984 19.000 -0.509 0.000 0.816 673 A HN 0.504 nan 8.150 nan 0.000 0.444 674 S N -3.595 112.070 115.700 -0.059 0.000 4.143 674 S HA 0.551 5.023 4.470 0.004 0.000 0.215 674 S C -0.353 174.250 174.600 0.004 0.000 1.163 674 S CA 0.693 58.889 58.200 -0.008 0.000 1.458 674 S CB 0.786 63.991 63.200 0.010 0.000 1.636 674 S HN 1.802 nan 8.310 nan 0.000 0.716 675 G N 1.022 109.828 108.800 0.010 0.000 2.273 675 G HA2 0.083 4.045 3.960 0.004 0.000 0.208 675 G HA3 0.083 4.045 3.960 0.004 0.000 0.208 675 G C -0.001 174.888 174.900 -0.019 0.000 1.779 675 G CA 0.285 45.385 45.100 -0.001 0.000 1.173 675 G HN 0.509 nan 8.290 nan 0.000 0.616 676 T N 0.674 115.214 114.554 -0.023 0.000 2.904 676 T HA 0.063 4.415 4.350 0.004 0.000 0.267 676 T C 2.534 177.153 174.700 -0.134 0.000 1.059 676 T CA 2.616 64.680 62.100 -0.061 0.000 1.137 676 T CB -0.199 68.637 68.868 -0.053 0.000 0.879 676 T HN 0.986 nan 8.240 nan 0.000 0.467 677 G N 1.067 109.807 108.800 -0.099 0.000 2.443 677 G HA2 -0.187 3.775 3.960 0.004 0.000 0.219 677 G HA3 -0.187 3.775 3.960 0.004 0.000 0.219 677 G C 1.522 176.458 174.900 0.059 0.000 1.131 677 G CA 0.688 45.729 45.100 -0.099 0.000 0.775 677 G HN 0.456 nan 8.290 nan 0.000 0.547 678 N N 0.559 119.291 118.700 0.054 0.000 2.061 678 N HA -0.088 4.654 4.740 0.004 0.000 0.193 678 N C 1.441 176.956 175.510 0.009 0.000 1.030 678 N CA 0.866 53.953 53.050 0.061 0.000 0.856 678 N CB -0.285 38.185 38.487 -0.030 0.000 1.023 678 N HN 0.378 nan 8.380 nan 0.000 0.424 682 M N 0.821 120.501 119.600 0.134 0.000 2.065 682 M HA -0.210 4.272 4.480 0.004 0.000 0.259 682 M C 2.091 178.427 176.300 0.061 0.000 1.069 682 M CA 1.994 57.330 55.300 0.060 0.000 1.110 682 M CB -0.299 32.320 32.600 0.032 0.000 1.328 682 M HN 0.386 nan 8.290 nan 0.000 0.405 683 L N 0.112 121.369 121.223 0.057 0.000 2.265 683 L HA -0.216 4.126 4.340 0.004 0.000 0.215 683 L C 1.102 178.010 176.870 0.063 0.000 1.117 683 L CA 1.190 56.075 54.840 0.076 0.000 0.782 683 L CB -0.402 41.712 42.059 0.092 0.000 0.914 683 L HN 0.459 nan 8.230 nan 0.000 0.441 684 N N -0.543 118.184 118.700 0.046 0.000 2.203 684 N HA 0.093 4.835 4.740 0.004 0.000 0.207 684 N C 0.933 176.476 175.510 0.055 0.000 1.130 684 N CA 0.861 53.933 53.050 0.037 0.000 0.861 684 N CB 1.138 39.621 38.487 -0.006 0.000 1.005 684 N HN 0.412 nan 8.380 nan 0.000 0.507 685 G N 0.397 109.238 108.800 0.068 0.000 2.148 685 G HA2 -0.184 3.778 3.960 0.004 0.000 0.203 685 G HA3 -0.184 3.778 3.960 0.004 0.000 0.203 685 G C 0.060 175.036 174.900 0.128 0.000 0.993 685 G CA 0.025 45.170 45.100 0.076 0.000 0.661 685 G HN 0.496 nan 8.290 nan 0.000 0.518 686 A N -0.055 122.851 122.820 0.144 0.000 2.304 686 A HA 0.856 5.178 4.320 0.004 0.000 0.301 686 A C 0.385 177.967 177.584 -0.003 0.000 1.132 686 A CA -0.393 51.748 52.037 0.173 0.000 0.819 686 A CB 0.794 19.967 19.000 0.288 0.000 1.094 686 A HN 0.718 nan 8.150 nan 0.000 0.492 687 L N 0.874 122.058 121.223 -0.066 0.000 2.360 687 L HA 0.440 4.782 4.340 0.004 0.000 0.271 687 L C 0.102 176.877 176.870 -0.159 0.000 1.057 687 L CA -0.359 54.347 54.840 -0.224 0.000 0.803 687 L CB 1.806 43.697 42.059 -0.279 0.000 1.207 687 L HN 0.686 nan 8.230 nan 0.000 0.445 688 T N 3.282 117.630 114.554 -0.344 0.000 2.756 688 T HA 0.435 4.788 4.350 0.004 0.000 0.290 688 T C -0.269 174.420 174.700 -0.017 0.000 0.985 688 T CA -0.228 61.711 62.100 -0.267 0.000 0.955 688 T CB 1.105 69.717 68.868 -0.426 0.000 0.930 688 T HN 0.317 nan 8.240 nan 0.000 0.451 689 I N 2.955 123.564 120.570 0.064 0.000 2.396 689 I HA 0.703 4.875 4.170 0.004 0.000 0.292 689 I C 0.347 176.632 176.117 0.278 0.000 0.999 689 I CA 0.398 61.822 61.300 0.206 0.000 1.310 689 I CB 0.628 38.664 38.000 0.060 0.000 1.404 689 I HN 0.808 nan 8.210 nan 0.000 0.496 690 G N 3.726 112.806 108.800 0.467 0.000 2.361 690 G HA2 0.260 4.222 3.960 0.004 0.000 0.299 690 G HA3 0.260 4.222 3.960 0.004 0.000 0.299 690 G C -0.856 174.031 174.900 -0.021 0.000 1.544 690 G CA -0.350 44.921 45.100 0.285 0.000 0.860 690 G HN 0.694 nan 8.290 nan 0.000 0.610 691 T N -1.581 112.817 114.554 -0.260 0.000 2.828 691 T HA 0.535 4.887 4.350 0.004 0.000 0.290 691 T C 0.666 175.256 174.700 -0.183 0.000 1.019 691 T CA -0.364 61.491 62.100 -0.407 0.000 1.031 691 T CB 1.330 69.972 68.868 -0.376 0.000 1.001 691 T HN 0.668 nan 8.240 nan 0.000 0.531 692 M N 2.880 122.376 119.600 -0.173 0.000 2.383 692 M HA 0.424 4.906 4.480 0.004 0.000 0.337 692 M C -0.790 175.459 176.300 -0.085 0.000 1.422 692 M CA 0.123 55.359 55.300 -0.107 0.000 1.333 692 M CB -1.556 30.989 32.600 -0.091 0.000 1.488 692 M HN 0.954 nan 8.290 nan 0.000 0.454 693 D N 2.622 122.982 120.400 -0.067 0.000 2.884 693 D HA 0.526 5.168 4.640 0.004 0.000 0.255 693 D C 0.180 176.463 176.300 -0.029 0.000 1.142 693 D CA 0.680 54.652 54.000 -0.046 0.000 0.726 693 D CB 0.333 41.102 40.800 -0.051 0.000 1.436 693 D HN 0.780 nan 8.370 nan 0.000 0.441 694 G N 1.024 109.817 108.800 -0.012 0.000 2.611 694 G HA2 -0.108 3.854 3.960 0.004 0.000 0.301 694 G HA3 -0.108 3.854 3.960 0.004 0.000 0.301 694 G C 1.173 176.078 174.900 0.009 0.000 1.233 694 G CA 1.244 46.343 45.100 -0.001 0.000 0.993 694 G HN 1.488 nan 8.290 nan 0.000 0.553 695 A N -0.364 122.458 122.820 0.004 0.000 2.123 695 A HA 0.143 4.465 4.320 0.004 0.000 0.214 695 A C 2.113 179.669 177.584 -0.047 0.000 1.152 695 A CA 1.803 53.844 52.037 0.006 0.000 0.728 695 A CB -0.407 18.575 19.000 -0.030 0.000 0.814 695 A HN 0.619 nan 8.150 nan 0.000 0.464 696 N N 0.692 119.361 118.700 -0.051 0.000 2.094 696 N HA -0.164 4.579 4.740 0.004 0.000 0.191 696 N C 1.665 177.065 175.510 -0.184 0.000 1.023 696 N CA 1.680 54.677 53.050 -0.088 0.000 0.857 696 N CB -0.673 37.796 38.487 -0.029 0.000 1.013 696 N HN 0.266 nan 8.380 nan 0.000 0.426 697 V N 1.397 121.248 119.914 -0.105 0.000 2.287 697 V HA -0.227 3.895 4.120 0.004 0.000 0.248 697 V C 1.984 178.029 176.094 -0.083 0.000 1.053 697 V CA 1.769 64.008 62.300 -0.102 0.000 1.027 697 V CB -0.486 31.308 31.823 -0.050 0.000 0.646 697 V HN 0.375 nan 8.190 nan 0.000 0.447 698 E N -0.885 119.325 120.200 0.017 0.000 2.216 698 E HA -0.108 4.244 4.350 0.004 0.000 0.192 698 E C 2.179 178.930 176.600 0.251 0.000 0.988 698 E CA 0.866 57.345 56.400 0.131 0.000 0.834 698 E CB -0.139 29.700 29.700 0.232 0.000 0.772 698 E HN 0.543 nan 8.360 nan 0.000 0.479 699 M N 0.394 120.053 119.600 0.099 0.000 2.099 699 M HA -0.117 4.366 4.480 0.004 0.000 0.262 699 M C 2.430 178.532 176.300 -0.329 0.000 1.067 699 M CA 1.550 56.826 55.300 -0.040 0.000 1.124 699 M CB -0.099 32.374 32.600 -0.212 0.000 1.353 699 M HN 0.129 nan 8.290 nan 0.000 0.410 700 A N -0.604 121.762 122.820 -0.757 0.000 2.015 700 A HA -0.170 4.152 4.320 0.004 0.000 0.219 700 A C 1.972 179.369 177.584 -0.311 0.000 1.163 700 A CA 1.550 53.070 52.037 -0.862 0.000 0.646 700 A CB -0.682 17.830 19.000 -0.814 0.000 0.806 700 A HN 0.554 nan 8.150 nan 0.000 0.448 701 E N -0.359 119.733 120.200 -0.179 0.000 2.072 701 E HA -0.174 4.178 4.350 0.004 0.000 0.190 701 E C 1.702 178.283 176.600 -0.031 0.000 0.982 701 E CA 1.066 57.419 56.400 -0.078 0.000 0.803 701 E CB 0.007 29.680 29.700 -0.046 0.000 0.755 701 E HN 0.540 nan 8.360 nan 0.000 0.453 702 E N 0.076 120.287 120.200 0.019 0.000 2.072 702 E HA -0.106 4.247 4.350 0.004 0.000 0.190 702 E C 1.798 178.434 176.600 0.060 0.000 0.982 702 E CA 1.031 57.463 56.400 0.053 0.000 0.803 702 E CB -0.167 29.612 29.700 0.130 0.000 0.755 702 E HN 0.286 nan 8.360 nan 0.000 0.453 703 A N 0.469 123.336 122.820 0.077 0.000 2.021 703 A HA 0.340 4.662 4.320 0.004 0.000 0.216 703 A C 1.089 178.713 177.584 0.066 0.000 1.163 703 A CA 1.128 53.234 52.037 0.115 0.000 0.676 703 A CB -0.060 19.094 19.000 0.257 0.000 0.818 703 A HN 0.259 nan 8.150 nan 0.000 0.453 704 G N -0.752 108.058 108.800 0.016 0.000 3.055 704 G HA2 -0.106 3.856 3.960 0.004 0.000 0.686 704 G HA3 -0.106 3.856 3.960 0.004 0.000 0.686 704 G C 0.120 175.020 174.900 0.000 0.000 1.087 704 G CA 0.116 45.214 45.100 -0.003 0.000 0.779 704 G HN 0.173 nan 8.290 nan 0.000 0.599 705 E N 0.797 120.976 120.200 -0.034 0.000 2.097 705 E HA -0.204 4.149 4.350 0.004 0.000 0.196 705 E C 2.223 178.828 176.600 0.007 0.000 1.000 705 E CA 1.997 58.381 56.400 -0.027 0.000 0.804 705 E CB 0.083 29.763 29.700 -0.035 0.000 0.740 705 E HN 0.744 nan 8.360 nan 0.000 0.454 706 E N 0.629 120.817 120.200 -0.020 0.000 2.219 706 E HA -0.157 4.195 4.350 0.004 0.000 0.198 706 E C 1.093 177.620 176.600 -0.121 0.000 0.998 706 E CA 0.908 57.274 56.400 -0.057 0.000 0.818 706 E CB -0.134 29.541 29.700 -0.042 0.000 0.741 706 E HN 0.200 nan 8.360 nan 0.000 0.477 707 N N -0.342 118.321 118.700 -0.061 0.000 2.322 707 N HA 0.131 4.874 4.740 0.004 0.000 0.216 707 N C -0.854 174.553 175.510 -0.172 0.000 1.144 707 N CA 0.229 53.205 53.050 -0.122 0.000 0.830 707 N CB 0.298 38.774 38.487 -0.018 0.000 1.034 707 N HN 0.060 nan 8.380 nan 0.000 0.484 708 F N -0.753 118.959 119.950 -0.395 0.000 2.601 708 F HA 0.343 4.871 4.527 0.003 0.000 0.309 708 F C -0.529 175.028 175.800 -0.405 0.000 1.089 708 F CA -1.002 56.797 58.000 -0.334 0.000 0.940 708 F CB 1.446 40.364 39.000 -0.138 0.000 1.273 708 F HN -0.213 nan 8.300 nan 0.000 0.450 709 F N 4.427 124.437 119.950 0.099 0.000 2.753 709 F HA 0.322 4.850 4.527 0.003 0.000 0.314 709 F C -0.023 175.927 175.800 0.250 0.000 1.215 709 F CA -0.554 57.517 58.000 0.119 0.000 1.243 709 F CB -0.393 38.623 39.000 0.027 0.000 1.400 709 F HN 0.029 nan 8.300 nan 0.000 0.548 710 I N 2.546 123.327 120.570 0.352 0.000 2.618 710 I HA 0.028 4.200 4.170 0.004 0.000 0.284 710 I C 0.145 176.444 176.117 0.303 0.000 1.146 710 I CA 0.043 61.503 61.300 0.267 0.000 1.425 710 I CB -0.664 37.410 38.000 0.123 0.000 1.383 710 I HN 0.235 nan 8.210 nan 0.000 0.562 711 F N 3.122 123.143 119.950 0.119 0.000 2.675 711 F HA 0.887 5.416 4.527 0.003 0.000 0.324 711 F C 0.234 176.080 175.800 0.077 0.000 1.106 711 F CA -0.575 57.485 58.000 0.101 0.000 0.970 711 F CB 1.012 40.084 39.000 0.119 0.000 1.385 711 F HN 0.784 nan 8.300 nan 0.000 0.489 712 G N 0.903 109.763 108.800 0.101 0.000 2.829 712 G HA2 -0.150 3.813 3.960 0.004 0.000 0.628 712 G HA3 -0.150 3.813 3.960 0.004 0.000 0.628 712 G C -0.640 174.218 174.900 -0.070 0.000 1.412 712 G CA -0.538 44.555 45.100 -0.012 0.000 0.864 712 G HN 1.034 nan 8.290 nan 0.000 0.544 713 M N 0.386 119.968 119.600 -0.029 0.000 2.243 713 M HA 0.092 4.575 4.480 0.004 0.000 0.365 713 M C 1.258 177.517 176.300 -0.068 0.000 1.327 713 M CA 1.001 56.286 55.300 -0.026 0.000 0.918 713 M CB 0.204 32.793 32.600 -0.019 0.000 1.894 713 M HN 0.628 nan 8.290 nan 0.000 0.473 714 R N 1.496 121.972 120.500 -0.041 0.000 2.541 714 R HA 0.344 4.687 4.340 0.004 0.000 0.254 714 R C 1.029 177.306 176.300 -0.039 0.000 1.130 714 R CA -0.518 55.553 56.100 -0.049 0.000 1.152 714 R CB 0.619 30.899 30.300 -0.034 0.000 1.222 714 R HN 0.601 nan 8.270 nan 0.000 0.579 715 V N 0.725 120.616 119.914 -0.039 0.000 2.231 715 V HA -0.288 3.834 4.120 0.004 0.000 0.248 715 V C 1.991 178.071 176.094 -0.024 0.000 1.054 715 V CA 2.175 64.455 62.300 -0.033 0.000 1.015 715 V CB -0.567 31.236 31.823 -0.034 0.000 0.638 715 V HN 0.771 nan 8.190 nan 0.000 0.444 716 E N -0.397 119.792 120.200 -0.018 0.000 2.267 716 E HA -0.249 4.104 4.350 0.004 0.000 0.197 716 E C 1.837 178.438 176.600 0.002 0.000 0.998 716 E CA 1.186 57.581 56.400 -0.009 0.000 0.830 716 E CB -0.067 29.629 29.700 -0.007 0.000 0.751 716 E HN 0.655 nan 8.360 nan 0.000 0.491 717 D N -0.267 120.135 120.400 0.003 0.000 2.123 717 D HA -0.124 4.518 4.640 0.004 0.000 0.200 717 D C 2.051 178.363 176.300 0.020 0.000 0.976 717 D CA 0.796 54.807 54.000 0.019 0.000 0.831 717 D CB -0.049 40.765 40.800 0.022 0.000 0.974 717 D HN 0.111 nan 8.370 nan 0.000 0.469 718 V N 1.780 121.692 119.914 -0.003 0.000 2.332 718 V HA -0.224 3.899 4.120 0.004 0.000 0.248 718 V C 1.945 178.036 176.094 -0.005 0.000 1.055 718 V CA 1.687 63.978 62.300 -0.015 0.000 1.038 718 V CB -0.456 31.346 31.823 -0.036 0.000 0.651 718 V HN 0.019 nan 8.190 nan 0.000 0.450 719 D N -0.229 120.168 120.400 -0.005 0.000 2.178 719 D HA -0.126 4.516 4.640 0.004 0.000 0.201 719 D C 2.455 178.764 176.300 0.016 0.000 0.980 719 D CA 1.110 55.109 54.000 -0.002 0.000 0.842 719 D CB -0.183 40.613 40.800 -0.007 0.000 0.948 719 D HN 0.411 nan 8.370 nan 0.000 0.472 720 R N -0.374 120.142 120.500 0.027 0.000 2.073 720 R HA -0.019 4.323 4.340 0.004 0.000 0.229 720 R C 2.013 178.351 176.300 0.064 0.000 1.120 720 R CA 0.272 56.397 56.100 0.042 0.000 0.967 720 R CB -0.261 30.067 30.300 0.045 0.000 0.862 720 R HN 0.120 nan 8.270 nan 0.000 0.436 721 L N 1.593 122.865 121.223 0.082 0.000 2.141 721 L HA -0.140 4.203 4.340 0.004 0.000 0.209 721 L C 1.325 178.265 176.870 0.117 0.000 1.094 721 L CA 1.807 56.726 54.840 0.132 0.000 0.763 721 L CB -0.595 41.561 42.059 0.163 0.000 0.908 721 L HN 0.059 nan 8.230 nan 0.000 0.437 722 D N -1.067 119.371 120.400 0.064 0.000 2.117 722 D HA -0.215 4.427 4.640 0.004 0.000 0.197 722 D C 2.131 178.459 176.300 0.046 0.000 0.987 722 D CA 0.976 55.003 54.000 0.045 0.000 0.829 722 D CB 0.064 40.868 40.800 0.007 0.000 0.961 722 D HN 0.436 nan 8.370 nan 0.000 0.460 723 Q N -0.107 119.717 119.800 0.040 0.000 2.119 723 Q HA -0.123 4.219 4.340 0.004 0.000 0.201 723 Q C 1.764 177.787 176.000 0.040 0.000 0.972 723 Q CA 1.008 56.831 55.803 0.032 0.000 0.847 723 Q CB 0.181 28.934 28.738 0.026 0.000 0.903 723 Q HN 0.229 nan 8.270 nan 0.000 0.433 724 R N -1.145 119.387 120.500 0.054 0.000 2.334 724 R HA 0.267 4.609 4.340 0.004 0.000 0.216 724 R C 0.090 176.431 176.300 0.068 0.000 0.905 724 R CA 0.595 56.728 56.100 0.055 0.000 1.064 724 R CB 0.372 30.705 30.300 0.054 0.000 1.046 724 R HN 0.077 nan 8.270 nan 0.000 0.508 725 G N 0.866 109.717 108.800 0.086 0.000 2.999 725 G HA2 -0.306 3.657 3.960 0.004 0.000 0.686 725 G HA3 -0.306 3.657 3.960 0.004 0.000 0.686 725 G C -1.311 173.686 174.900 0.162 0.000 1.057 725 G CA -0.230 44.932 45.100 0.104 0.000 0.784 725 G HN 0.362 nan 8.290 nan 0.000 0.575 726 Y N 3.228 123.566 120.300 0.064 0.000 2.452 726 Y HA 0.548 5.100 4.550 0.003 0.000 0.348 726 Y C 0.485 176.453 175.900 0.113 0.000 0.985 726 Y CA -0.764 57.398 58.100 0.102 0.000 1.214 726 Y CB 0.725 39.223 38.460 0.064 0.000 1.136 726 Y HN 0.633 nan 8.280 nan 0.000 0.523 727 N N 4.500 122.995 118.700 -0.343 0.000 2.476 727 N HA 0.439 5.181 4.740 0.004 0.000 0.257 727 N C 0.300 175.549 175.510 -0.435 0.000 0.970 727 N CA 0.053 52.903 53.050 -0.334 0.000 0.938 727 N CB 1.127 39.553 38.487 -0.101 0.000 1.144 727 N HN 0.828 nan 8.380 nan 0.000 0.500 728 A N 2.775 125.271 122.820 -0.539 0.000 2.168 728 A HA -0.112 4.210 4.320 0.004 0.000 0.215 728 A C 1.932 179.645 177.584 0.216 0.000 1.152 728 A CA 0.821 52.746 52.037 -0.188 0.000 0.716 728 A CB -0.156 18.679 19.000 -0.275 0.000 0.794 728 A HN 0.766 nan 8.150 nan 0.000 0.465 729 Q N 0.920 120.782 119.800 0.104 0.000 2.123 729 Q HA -0.147 4.196 4.340 0.004 0.000 0.199 729 Q C 1.785 177.908 176.000 0.206 0.000 0.966 729 Q CA 1.784 57.700 55.803 0.188 0.000 0.845 729 Q CB -0.226 28.578 28.738 0.109 0.000 0.907 729 Q HN 0.844 nan 8.270 nan 0.000 0.439 730 E N -1.501 118.745 120.200 0.076 0.000 2.512 730 E HA -0.141 4.211 4.350 0.004 0.000 0.195 730 E C 0.523 177.020 176.600 -0.171 0.000 1.083 730 E CA 0.409 56.780 56.400 -0.048 0.000 0.873 730 E CB -0.029 29.596 29.700 -0.126 0.000 0.897 730 E HN 0.475 nan 8.360 nan 0.000 0.514 731 Y N -0.772 119.613 120.300 0.142 0.000 2.464 731 Y HA -0.003 4.549 4.550 0.003 0.000 0.288 731 Y C 2.080 178.018 175.900 0.063 0.000 1.133 731 Y CA 0.342 58.530 58.100 0.146 0.000 1.223 731 Y CB -0.360 38.265 38.460 0.275 0.000 1.187 731 Y HN 0.064 nan 8.280 nan 0.000 0.539 732 Y N 1.576 121.975 120.300 0.165 0.000 2.151 732 Y HA -0.304 4.249 4.550 0.004 0.000 0.284 732 Y C 1.752 177.628 175.900 -0.040 0.000 1.166 732 Y CA 2.062 60.146 58.100 -0.027 0.000 1.163 732 Y CB -0.335 38.198 38.460 0.121 0.000 0.974 732 Y HN 0.085 nan 8.280 nan 0.000 0.511 733 D N -0.194 120.210 120.400 0.007 0.000 2.149 733 D HA -0.099 4.543 4.640 0.004 0.000 0.201 733 D C 2.045 178.268 176.300 -0.128 0.000 0.972 733 D CA 1.225 55.165 54.000 -0.101 0.000 0.835 733 D CB -0.224 40.590 40.800 0.024 0.000 0.966 733 D HN 0.453 nan 8.370 nan 0.000 0.476 734 R N -0.034 120.418 120.500 -0.080 0.000 2.316 734 R HA 0.136 4.479 4.340 0.004 0.000 0.202 734 R C 0.317 176.577 176.300 -0.066 0.000 1.029 734 R CA 0.438 56.501 56.100 -0.062 0.000 1.018 734 R CB 0.290 30.566 30.300 -0.040 0.000 0.888 734 R HN 0.184 nan 8.270 nan 0.000 0.471 735 I N 0.554 121.050 120.570 -0.124 0.000 2.493 735 I HA 0.207 4.380 4.170 0.004 0.000 0.279 735 I C -2.091 173.899 176.117 -0.212 0.000 1.045 735 I CA -2.324 58.903 61.300 -0.122 0.000 1.106 735 I CB 2.419 40.363 38.000 -0.092 0.000 1.216 735 I HN -0.276 nan 8.210 nan 0.000 0.459 736 P HA -0.089 nan 4.420 nan 0.000 0.219 736 P C 1.145 178.352 177.300 -0.155 0.000 1.150 736 P CA 1.177 64.177 63.100 -0.168 0.000 0.814 736 P CB 0.376 32.013 31.700 -0.106 0.000 0.787 737 E N -0.727 119.411 120.200 -0.105 0.000 2.072 737 E HA -0.150 4.203 4.350 0.004 0.000 0.191 737 E C 1.845 178.354 176.600 -0.151 0.000 0.985 737 E CA 0.670 57.032 56.400 -0.064 0.000 0.801 737 E CB -0.626 29.107 29.700 0.056 0.000 0.750 737 E HN 0.099 nan 8.360 nan 0.000 0.452 738 L N 1.474 122.495 121.223 -0.337 0.000 2.046 738 L HA -0.184 4.159 4.340 0.004 0.000 0.208 738 L C 2.174 178.832 176.870 -0.353 0.000 1.077 738 L CA 1.688 56.174 54.840 -0.590 0.000 0.747 738 L CB -0.225 41.309 42.059 -0.875 0.000 0.896 738 L HN -0.039 nan 8.230 nan 0.000 0.432 739 R N -1.066 119.231 120.500 -0.338 0.000 2.070 739 R HA -0.200 4.142 4.340 0.004 0.000 0.233 739 R C 2.288 178.543 176.300 -0.076 0.000 1.137 739 R CA 1.728 57.673 56.100 -0.259 0.000 0.945 739 R CB -0.556 29.476 30.300 -0.447 0.000 0.845 739 R HN 0.542 nan 8.270 nan 0.000 0.430 740 Q N 1.114 120.852 119.800 -0.103 0.000 2.096 740 Q HA -0.182 4.160 4.340 0.004 0.000 0.204 740 Q C 2.169 178.143 176.000 -0.044 0.000 0.982 740 Q CA 1.841 57.602 55.803 -0.070 0.000 0.850 740 Q CB -0.080 28.604 28.738 -0.090 0.000 0.901 740 Q HN 0.490 nan 8.270 nan 0.000 0.422 741 I N -2.079 118.471 120.570 -0.034 0.000 2.439 741 I HA -0.199 3.974 4.170 0.004 0.000 0.251 741 I C 1.943 178.103 176.117 0.073 0.000 1.139 741 I CA 0.641 61.956 61.300 0.025 0.000 1.438 741 I CB -0.592 37.427 38.000 0.032 0.000 1.085 741 I HN 0.086 nan 8.210 nan 0.000 0.427 742 I N 1.971 122.585 120.570 0.074 0.000 2.252 742 I HA -0.176 3.997 4.170 0.004 0.000 0.245 742 I C 2.677 178.873 176.117 0.132 0.000 1.102 742 I CA 1.438 62.817 61.300 0.131 0.000 1.385 742 I CB -1.164 36.958 38.000 0.204 0.000 1.064 742 I HN 0.319 nan 8.210 nan 0.000 0.414 743 E N 0.736 121.005 120.200 0.115 0.000 2.204 743 E HA -0.191 4.161 4.350 0.004 0.000 0.194 743 E C 2.072 178.728 176.600 0.093 0.000 0.989 743 E CA 0.791 57.251 56.400 0.100 0.000 0.824 743 E CB -0.289 29.455 29.700 0.074 0.000 0.756 743 E HN 0.614 nan 8.360 nan 0.000 0.477 744 Q N 0.299 120.141 119.800 0.069 0.000 2.049 744 Q HA -0.022 4.321 4.340 0.004 0.000 0.198 744 Q C 2.523 178.677 176.000 0.258 0.000 0.971 744 Q CA 0.803 56.649 55.803 0.071 0.000 0.833 744 Q CB -0.108 28.568 28.738 -0.103 0.000 0.896 744 Q HN 0.251 nan 8.270 nan 0.000 0.434 745 L N 0.250 121.640 121.223 0.279 0.000 1.989 745 L HA -0.231 4.111 4.340 0.004 0.000 0.211 745 L C 2.535 179.574 176.870 0.281 0.000 1.071 745 L CA 1.220 56.239 54.840 0.299 0.000 0.749 745 L CB -0.564 41.594 42.059 0.165 0.000 0.890 745 L HN 0.155 nan 8.230 nan 0.000 0.431 746 S N -0.193 115.629 115.700 0.202 0.000 2.370 746 S HA -0.203 4.269 4.470 0.004 0.000 0.226 746 S C 2.104 176.802 174.600 0.164 0.000 1.033 746 S CA 1.674 59.975 58.200 0.169 0.000 1.011 746 S CB -0.409 62.866 63.200 0.125 0.000 0.852 746 S HN 0.627 nan 8.310 nan 0.000 0.457 747 S N 0.773 116.570 115.700 0.162 0.000 2.507 747 S HA 0.188 4.660 4.470 0.004 0.000 0.235 747 S C 1.460 176.154 174.600 0.158 0.000 0.988 747 S CA 0.974 59.260 58.200 0.145 0.000 0.944 747 S CB -0.496 62.788 63.200 0.140 0.000 0.762 747 S HN 0.981 nan 8.310 nan 0.000 0.526 748 G N 0.368 109.296 108.800 0.213 0.000 2.142 748 G HA2 -0.286 3.677 3.960 0.004 0.000 0.225 748 G HA3 -0.286 3.677 3.960 0.004 0.000 0.225 748 G C 0.158 175.161 174.900 0.171 0.000 1.015 748 G CA 0.183 45.409 45.100 0.209 0.000 0.716 748 G HN 0.549 nan 8.290 nan 0.000 0.508 749 F N 0.098 120.058 119.950 0.016 0.000 2.126 749 F HA 0.113 4.643 4.527 0.004 0.000 0.299 749 F C 1.983 177.624 175.800 -0.265 0.000 1.096 749 F CA 2.203 60.093 58.000 -0.182 0.000 1.255 749 F CB -0.079 38.713 39.000 -0.347 0.000 0.997 749 F HN 0.198 nan 8.300 nan 0.000 0.479 750 F N -0.507 119.589 119.950 0.242 0.000 2.727 750 F HA 0.176 4.705 4.527 0.004 0.000 0.302 750 F C 0.890 176.802 175.800 0.187 0.000 1.097 750 F CA 0.352 58.440 58.000 0.147 0.000 1.330 750 F CB -0.168 38.884 39.000 0.086 0.000 1.084 750 F HN -0.026 nan 8.300 nan 0.000 0.578 751 S N -1.091 114.793 115.700 0.307 0.000 2.512 751 S HA 0.263 4.735 4.470 0.004 0.000 0.161 751 S C -2.131 172.515 174.600 0.077 0.000 1.383 751 S CA -0.961 57.358 58.200 0.200 0.000 1.248 751 S CB 0.582 63.900 63.200 0.196 0.000 1.488 751 S HN -0.121 nan 8.310 nan 0.000 0.382 752 P HA -0.102 nan 4.420 nan 0.000 0.216 752 P C 1.012 178.309 177.300 -0.006 0.000 1.150 752 P CA 1.226 64.309 63.100 -0.028 0.000 0.837 752 P CB 0.144 31.793 31.700 -0.086 0.000 0.786 753 K N -0.476 119.923 120.400 -0.001 0.000 2.097 753 K HA -0.078 4.244 4.320 0.004 0.000 0.205 753 K C 1.034 177.640 176.600 0.010 0.000 1.050 753 K CA 1.154 57.443 56.287 0.003 0.000 0.938 753 K CB -0.271 32.232 32.500 0.006 0.000 0.718 753 K HN 0.282 nan 8.250 nan 0.000 0.442 754 Q N -0.629 119.178 119.800 0.012 0.000 2.798 754 Q HA 0.196 4.539 4.340 0.004 0.000 0.250 754 Q C -2.257 173.753 176.000 0.017 0.000 1.006 754 Q CA -1.578 54.230 55.803 0.007 0.000 0.759 754 Q CB 1.602 30.335 28.738 -0.009 0.000 1.201 754 Q HN -0.092 nan 8.270 nan 0.000 0.486 755 P HA -0.224 nan 4.420 nan 0.000 0.218 755 P C 0.231 177.582 177.300 0.084 0.000 1.150 755 P CA 1.390 64.534 63.100 0.074 0.000 0.841 755 P CB 0.338 32.075 31.700 0.062 0.000 0.784 756 D N -2.039 118.389 120.400 0.047 0.000 2.340 756 D HA 0.005 4.647 4.640 0.004 0.000 0.220 756 D C 1.667 177.973 176.300 0.010 0.000 1.039 756 D CA 0.039 54.069 54.000 0.049 0.000 0.866 756 D CB -0.496 40.328 40.800 0.039 0.000 0.913 756 D HN 0.032 nan 8.370 nan 0.000 0.523 757 L N -0.193 120.976 121.223 -0.091 0.000 2.129 757 L HA -0.155 4.187 4.340 0.004 0.000 0.212 757 L C 0.908 177.535 176.870 -0.406 0.000 1.087 757 L CA 1.639 56.295 54.840 -0.307 0.000 0.757 757 L CB -0.338 41.381 42.059 -0.567 0.000 0.896 757 L HN -0.087 nan 8.230 nan 0.000 0.434 758 F N -1.416 118.589 119.950 0.092 0.000 2.684 758 F HA 0.235 4.765 4.527 0.004 0.000 0.298 758 F C 1.821 177.667 175.800 0.077 0.000 1.120 758 F CA -0.327 57.717 58.000 0.073 0.000 1.332 758 F CB -0.529 38.506 39.000 0.058 0.000 0.986 758 F HN -0.093 nan 8.300 nan 0.000 0.524 759 K N 0.694 121.204 120.400 0.182 0.000 2.097 759 K HA -0.179 4.144 4.320 0.004 0.000 0.206 759 K C 1.294 177.979 176.600 0.141 0.000 1.049 759 K CA 1.875 58.249 56.287 0.146 0.000 0.933 759 K CB -0.138 32.428 32.500 0.110 0.000 0.717 759 K HN 0.343 nan 8.250 nan 0.000 0.442 760 D N 0.131 120.626 120.400 0.160 0.000 2.347 760 D HA -0.097 4.546 4.640 0.004 0.000 0.215 760 D C 1.630 178.020 176.300 0.149 0.000 0.976 760 D CA 0.588 54.691 54.000 0.171 0.000 0.884 760 D CB -0.223 40.701 40.800 0.206 0.000 0.915 760 D HN 0.223 nan 8.370 nan 0.000 0.526 761 I N 0.241 120.900 120.570 0.149 0.000 2.277 761 I HA -0.170 4.002 4.170 0.004 0.000 0.243 761 I C 2.168 178.300 176.117 0.025 0.000 1.094 761 I CA 0.439 61.796 61.300 0.095 0.000 1.393 761 I CB -0.036 38.043 38.000 0.131 0.000 1.078 761 I HN -0.056 nan 8.210 nan 0.000 0.417 762 V N 1.327 121.272 119.914 0.051 0.000 2.261 762 V HA -0.304 3.818 4.120 0.004 0.000 0.246 762 V C 2.094 178.119 176.094 -0.115 0.000 1.047 762 V CA 2.275 64.575 62.300 -0.001 0.000 1.015 762 V CB -1.014 30.838 31.823 0.048 0.000 0.642 762 V HN 0.409 nan 8.190 nan 0.000 0.446 763 N N -0.302 118.363 118.700 -0.058 0.000 2.049 763 N HA -0.259 4.484 4.740 0.004 0.000 0.198 763 N C 1.820 177.113 175.510 -0.362 0.000 1.030 763 N CA 2.157 55.165 53.050 -0.070 0.000 0.870 763 N CB -0.354 38.225 38.487 0.154 0.000 1.045 763 N HN 0.335 nan 8.380 nan 0.000 0.434 764 M N -0.084 119.261 119.600 -0.425 0.000 2.065 764 M HA -0.116 4.366 4.480 0.004 0.000 0.259 764 M C 1.513 177.521 176.300 -0.486 0.000 1.069 764 M CA 1.493 56.355 55.300 -0.730 0.000 1.110 764 M CB -0.594 31.862 32.600 -0.240 0.000 1.328 764 M HN 0.150 nan 8.290 nan 0.000 0.405 765 L N 0.522 121.536 121.223 -0.347 0.000 2.127 765 L HA -0.219 4.123 4.340 0.004 0.000 0.211 765 L C 2.444 178.917 176.870 -0.662 0.000 1.089 765 L CA 1.605 56.170 54.840 -0.458 0.000 0.757 765 L CB -0.902 40.957 42.059 -0.334 0.000 0.899 765 L HN 0.367 nan 8.230 nan 0.000 0.434 766 M N -2.133 117.124 119.600 -0.572 0.000 2.216 766 M HA -0.058 4.424 4.480 0.004 0.000 0.264 766 M C 2.018 177.994 176.300 -0.539 0.000 1.080 766 M CA 1.406 56.310 55.300 -0.661 0.000 1.153 766 M CB -0.742 31.308 32.600 -0.917 0.000 1.356 766 M HN 0.306 nan 8.290 nan 0.000 0.432 767 H N -1.610 117.353 119.070 -0.178 0.000 2.594 767 H HA 0.164 4.722 4.556 0.004 0.000 0.274 767 H C 0.409 175.771 175.328 0.057 0.000 0.982 767 H CA 0.882 56.911 56.048 -0.032 0.000 1.228 767 H CB -0.088 29.732 29.762 0.096 0.000 1.447 767 H HN 0.608 nan 8.280 nan 0.000 0.485 768 H N -0.974 118.154 119.070 0.097 0.000 2.587 768 H HA 0.245 4.803 4.556 0.004 0.000 0.245 768 H C -0.652 174.714 175.328 0.064 0.000 1.238 768 H CA -0.496 55.600 56.048 0.080 0.000 0.963 768 H CB 0.217 30.025 29.762 0.078 0.000 1.904 768 H HN -0.122 nan 8.280 nan 0.000 0.584 769 D N 1.881 122.292 120.400 0.017 0.000 2.455 769 D HA -0.018 4.625 4.640 0.004 0.000 0.234 769 D C 1.106 177.402 176.300 -0.007 0.000 1.224 769 D CA -0.204 53.809 54.000 0.023 0.000 0.999 769 D CB 0.338 41.125 40.800 -0.021 0.000 1.072 769 D HN 0.475 nan 8.370 nan 0.000 0.514 770 R N 2.235 122.678 120.500 -0.095 0.000 2.366 770 R HA -0.027 4.316 4.340 0.004 0.000 0.201 770 R C 0.160 175.968 176.300 -0.820 0.000 1.057 770 R CA 0.822 56.661 56.100 -0.435 0.000 1.086 770 R CB -0.117 29.859 30.300 -0.540 0.000 0.914 770 R HN 0.305 nan 8.270 nan 0.000 0.476 771 F N -1.079 118.817 119.950 -0.090 0.000 2.915 771 F HA 0.304 4.833 4.527 0.003 0.000 0.347 771 F C -0.155 175.510 175.800 -0.225 0.000 1.104 771 F CA -0.689 57.248 58.000 -0.106 0.000 1.126 771 F CB 0.627 39.636 39.000 0.016 0.000 1.145 771 F HN -0.178 nan 8.300 nan 0.000 0.541 772 K N 0.116 120.322 120.400 -0.324 0.000 3.372 772 K HA -0.141 4.181 4.320 0.004 0.000 0.272 772 K C 0.735 177.222 176.600 -0.189 0.000 1.037 772 K CA 0.218 56.134 56.287 -0.619 0.000 0.777 772 K CB -1.665 30.414 32.500 -0.701 0.000 1.347 772 K HN 0.172 nan 8.250 nan 0.000 0.460 773 V N -0.077 119.817 119.914 -0.033 0.000 2.283 773 V HA -0.217 3.905 4.120 0.004 0.000 0.243 773 V C 1.941 178.208 176.094 0.288 0.000 1.039 773 V CA 1.869 64.237 62.300 0.114 0.000 1.016 773 V CB -0.431 31.471 31.823 0.131 0.000 0.650 773 V HN 0.422 nan 8.190 nan 0.000 0.449 774 F N 1.171 121.157 119.950 0.060 0.000 2.154 774 F HA -0.182 4.348 4.527 0.004 0.000 0.301 774 F C 2.470 178.196 175.800 -0.122 0.000 1.087 774 F CA 1.101 59.132 58.000 0.051 0.000 1.274 774 F CB -1.446 37.620 39.000 0.110 0.000 1.009 774 F HN 0.154 nan 8.300 nan 0.000 0.485 775 A N -0.805 121.888 122.820 -0.211 0.000 2.015 775 A HA -0.137 4.185 4.320 0.004 0.000 0.219 775 A C 1.701 179.250 177.584 -0.059 0.000 1.163 775 A CA 1.770 53.434 52.037 -0.622 0.000 0.646 775 A CB -0.500 18.177 19.000 -0.538 0.000 0.806 775 A HN 0.219 nan 8.150 nan 0.000 0.448 776 D N -2.631 117.818 120.400 0.081 0.000 2.349 776 D HA 0.089 4.732 4.640 0.004 0.000 0.214 776 D C 1.146 177.624 176.300 0.296 0.000 1.063 776 D CA -0.021 54.108 54.000 0.215 0.000 0.847 776 D CB -0.111 40.817 40.800 0.214 0.000 0.933 776 D HN 0.571 nan 8.370 nan 0.000 0.513 777 Y N 2.228 122.624 120.300 0.161 0.000 2.036 777 Y HA -0.301 4.251 4.550 0.004 0.000 0.273 777 Y C 2.380 178.377 175.900 0.161 0.000 1.135 777 Y CA 2.486 60.688 58.100 0.170 0.000 1.106 777 Y CB -0.093 38.433 38.460 0.110 0.000 0.976 777 Y HN -0.092 nan 8.280 nan 0.000 0.483 778 E N 0.322 120.687 120.200 0.275 0.000 2.048 778 E HA -0.355 3.997 4.350 0.004 0.000 0.202 778 E C 2.185 178.793 176.600 0.015 0.000 1.021 778 E CA 2.163 58.645 56.400 0.137 0.000 0.825 778 E CB -0.491 29.360 29.700 0.252 0.000 0.756 778 E HN 0.656 nan 8.360 nan 0.000 0.454 779 E N -1.295 118.978 120.200 0.122 0.000 2.110 779 E HA -0.231 4.121 4.350 0.004 0.000 0.193 779 E C 1.904 178.515 176.600 0.017 0.000 0.988 779 E CA 1.205 57.687 56.400 0.137 0.000 0.804 779 E CB -0.412 29.450 29.700 0.270 0.000 0.745 779 E HN 0.504 nan 8.360 nan 0.000 0.458 780 Y N 0.755 120.901 120.300 -0.256 0.000 2.114 780 Y HA -0.232 4.320 4.550 0.004 0.000 0.284 780 Y C 2.096 177.606 175.900 -0.650 0.000 1.143 780 Y CA 1.924 59.541 58.100 -0.807 0.000 1.135 780 Y CB -0.678 37.373 38.460 -0.681 0.000 0.980 780 Y HN 0.089 nan 8.280 nan 0.000 0.499 781 V N -1.402 118.154 119.914 -0.596 0.000 2.427 781 V HA -0.178 3.945 4.120 0.004 0.000 0.248 781 V C 2.280 178.142 176.094 -0.388 0.000 1.051 781 V CA 1.834 63.782 62.300 -0.588 0.000 1.048 781 V CB -0.790 30.752 31.823 -0.468 0.000 0.666 781 V HN 0.160 nan 8.190 nan 0.000 0.456 782 K N 0.236 120.485 120.400 -0.253 0.000 2.034 782 K HA -0.240 4.083 4.320 0.004 0.000 0.214 782 K C 2.375 178.874 176.600 -0.168 0.000 1.051 782 K CA 2.014 58.216 56.287 -0.143 0.000 0.931 782 K CB -1.283 31.185 32.500 -0.054 0.000 0.715 782 K HN 0.667 nan 8.250 nan 0.000 0.446 783 C N 1.702 120.867 119.300 -0.226 0.000 2.440 783 C HA -0.059 4.403 4.460 0.004 0.000 0.278 783 C C 2.682 177.455 174.990 -0.361 0.000 1.295 783 C CA 0.624 59.523 59.018 -0.198 0.000 1.738 783 C CB -0.600 27.046 27.740 -0.157 0.000 1.987 783 C HN 0.401 nan 8.230 nan 0.000 0.492 784 Q N 0.502 119.965 119.800 -0.562 0.000 2.170 784 Q HA -0.162 4.180 4.340 0.004 0.000 0.203 784 Q C 1.976 177.769 176.000 -0.345 0.000 0.976 784 Q CA 1.601 57.038 55.803 -0.611 0.000 0.858 784 Q CB -0.409 27.741 28.738 -0.981 0.000 0.907 784 Q HN 0.757 nan 8.270 nan 0.000 0.433 785 E N 0.180 120.237 120.200 -0.238 0.000 2.150 785 E HA -0.131 4.221 4.350 0.004 0.000 0.193 785 E C 2.082 178.636 176.600 -0.077 0.000 0.985 785 E CA 0.467 56.796 56.400 -0.118 0.000 0.814 785 E CB 0.036 29.688 29.700 -0.080 0.000 0.752 785 E HN 0.188 nan 8.360 nan 0.000 0.466 786 R N 0.113 120.558 120.500 -0.092 0.000 2.092 786 R HA -0.102 4.240 4.340 0.004 0.000 0.231 786 R C 2.302 178.568 176.300 -0.056 0.000 1.119 786 R CA 0.880 56.979 56.100 -0.001 0.000 0.970 786 R CB -0.080 30.277 30.300 0.096 0.000 0.864 786 R HN 0.037 nan 8.270 nan 0.000 0.440 787 V N -0.213 119.494 119.914 -0.344 0.000 2.270 787 V HA -0.239 3.883 4.120 0.004 0.000 0.245 787 V C 2.126 178.204 176.094 -0.028 0.000 1.043 787 V CA 1.951 63.986 62.300 -0.441 0.000 1.014 787 V CB -0.452 30.988 31.823 -0.638 0.000 0.645 787 V HN 0.286 nan 8.190 nan 0.000 0.447 788 S N 0.047 115.708 115.700 -0.065 0.000 2.365 788 S HA -0.233 4.240 4.470 0.004 0.000 0.225 788 S C 2.198 176.878 174.600 0.133 0.000 1.039 788 S CA 1.640 59.851 58.200 0.017 0.000 1.033 788 S CB -0.527 62.657 63.200 -0.027 0.000 0.887 788 S HN 0.657 nan 8.310 nan 0.000 0.447 789 A N 0.723 123.611 122.820 0.113 0.000 1.933 789 A HA -0.026 4.297 4.320 0.004 0.000 0.218 789 A C 2.095 179.797 177.584 0.195 0.000 1.175 789 A CA 1.328 53.450 52.037 0.142 0.000 0.628 789 A CB -0.574 18.489 19.000 0.106 0.000 0.814 789 A HN 0.445 nan 8.150 nan 0.000 0.444 790 L N -2.182 119.208 121.223 0.279 0.000 2.156 790 L HA -0.017 4.326 4.340 0.004 0.000 0.208 790 L C 2.178 179.375 176.870 0.546 0.000 1.095 790 L CA 1.593 56.680 54.840 0.411 0.000 0.770 790 L CB -0.588 41.777 42.059 0.509 0.000 0.914 790 L HN 0.487 nan 8.230 nan 0.000 0.439 791 Y N 0.088 120.544 120.300 0.258 0.000 2.421 791 Y HA -0.208 4.344 4.550 0.003 0.000 0.292 791 Y C 2.460 178.285 175.900 -0.125 0.000 1.136 791 Y CA 1.579 59.523 58.100 -0.261 0.000 1.255 791 Y CB -0.011 38.215 38.460 -0.390 0.000 0.991 791 Y HN 0.156 nan 8.280 nan 0.000 0.552 792 K N 0.124 120.585 120.400 0.102 0.000 2.362 792 K HA -0.130 4.192 4.320 0.004 0.000 0.200 792 K C 0.325 176.912 176.600 -0.022 0.000 1.046 792 K CA 0.602 56.925 56.287 0.060 0.000 0.952 792 K CB -0.090 32.479 32.500 0.115 0.000 0.753 792 K HN 0.087 nan 8.250 nan 0.000 0.466 793 N N 0.799 119.506 118.700 0.010 0.000 2.955 793 N HA 0.121 4.863 4.740 0.004 0.000 0.242 793 N C -2.393 173.121 175.510 0.006 0.000 1.123 793 N CA -2.001 51.057 53.050 0.014 0.000 0.949 793 N CB 1.332 39.858 38.487 0.064 0.000 1.214 793 N HN -0.115 nan 8.380 nan 0.000 0.504 794 P HA -0.170 nan 4.420 nan 0.000 0.216 794 P C 1.391 178.702 177.300 0.018 0.000 1.154 794 P CA 1.198 64.232 63.100 -0.111 0.000 0.865 794 P CB 0.425 32.034 31.700 -0.152 0.000 0.789 795 R N -0.405 120.107 120.500 0.020 0.000 2.066 795 R HA -0.131 4.211 4.340 0.004 0.000 0.232 795 R C 2.126 178.466 176.300 0.067 0.000 1.131 795 R CA 1.255 57.377 56.100 0.036 0.000 0.955 795 R CB -0.341 29.971 30.300 0.022 0.000 0.851 795 R HN 0.070 nan 8.270 nan 0.000 0.432 796 E N -0.415 119.833 120.200 0.080 0.000 2.077 796 E HA -0.223 4.130 4.350 0.004 0.000 0.193 796 E C 1.502 178.160 176.600 0.097 0.000 0.989 796 E CA 0.904 57.351 56.400 0.078 0.000 0.800 796 E CB -0.420 29.326 29.700 0.077 0.000 0.746 796 E HN 0.404 nan 8.360 nan 0.000 0.452 797 W N 1.783 123.074 121.300 -0.015 0.000 2.317 797 W HA -0.230 4.431 4.660 0.003 0.000 0.318 797 W C 2.371 178.883 176.519 -0.010 0.000 1.227 797 W CA 2.739 60.083 57.345 -0.002 0.000 1.269 797 W CB -0.440 28.978 29.460 -0.071 0.000 1.155 797 W HN 0.026 nan 8.180 nan 0.000 0.484 798 T N 0.082 114.778 114.554 0.237 0.000 2.821 798 T HA -0.146 4.206 4.350 0.004 0.000 0.267 798 T C 1.682 176.396 174.700 0.024 0.000 1.046 798 T CA 1.465 63.638 62.100 0.123 0.000 1.139 798 T CB -0.283 68.627 68.868 0.071 0.000 0.871 798 T HN 0.181 nan 8.240 nan 0.000 0.454 799 R N 0.589 121.106 120.500 0.027 0.000 2.092 799 R HA 0.101 4.443 4.340 0.004 0.000 0.231 799 R C 2.483 178.771 176.300 -0.020 0.000 1.119 799 R CA 1.183 57.299 56.100 0.026 0.000 0.970 799 R CB -0.428 29.893 30.300 0.034 0.000 0.864 799 R HN 0.358 nan 8.270 nan 0.000 0.440 800 M N 0.731 120.277 119.600 -0.090 0.000 2.117 800 M HA -0.143 4.340 4.480 0.004 0.000 0.262 800 M C 2.017 178.205 176.300 -0.187 0.000 1.065 800 M CA 1.434 56.631 55.300 -0.171 0.000 1.114 800 M CB 0.067 32.490 32.600 -0.294 0.000 1.361 800 M HN -0.060 nan 8.290 nan 0.000 0.408 801 V N 0.952 120.740 119.914 -0.209 0.000 2.255 801 V HA -0.330 3.792 4.120 0.004 0.000 0.247 801 V C 2.258 178.328 176.094 -0.040 0.000 1.051 801 V CA 2.323 64.534 62.300 -0.149 0.000 1.018 801 V CB -0.683 31.091 31.823 -0.081 0.000 0.641 801 V HN 0.546 nan 8.190 nan 0.000 0.445 802 I N -0.576 120.000 120.570 0.010 0.000 2.151 802 I HA -0.325 3.847 4.170 0.004 0.000 0.243 802 I C 2.725 178.893 176.117 0.085 0.000 1.080 802 I CA 1.844 63.207 61.300 0.106 0.000 1.339 802 I CB -0.525 37.602 38.000 0.210 0.000 1.039 802 I HN 0.219 nan 8.210 nan 0.000 0.409 803 R N 0.530 121.055 120.500 0.041 0.000 2.120 803 R HA -0.131 4.211 4.340 0.004 0.000 0.234 803 R C 2.092 178.421 176.300 0.047 0.000 1.123 803 R CA 1.343 57.465 56.100 0.037 0.000 0.975 803 R CB -0.466 29.841 30.300 0.011 0.000 0.866 803 R HN 0.550 nan 8.270 nan 0.000 0.446 804 N N 0.585 119.296 118.700 0.019 0.000 2.106 804 N HA -0.113 4.629 4.740 0.004 0.000 0.188 804 N C 1.964 177.522 175.510 0.079 0.000 1.029 804 N CA 1.177 54.255 53.050 0.047 0.000 0.848 804 N CB -0.056 38.406 38.487 -0.042 0.000 1.007 804 N HN 0.165 nan 8.380 nan 0.000 0.423 805 I N 1.550 122.158 120.570 0.064 0.000 2.179 805 I HA -0.218 3.954 4.170 0.004 0.000 0.242 805 I C 2.511 178.683 176.117 0.092 0.000 1.088 805 I CA 0.894 62.242 61.300 0.081 0.000 1.357 805 I CB -0.379 37.666 38.000 0.076 0.000 1.051 805 I HN 0.066 nan 8.210 nan 0.000 0.409 806 A N -0.682 122.191 122.820 0.088 0.000 2.019 806 A HA -0.218 4.104 4.320 0.004 0.000 0.219 806 A C 2.296 179.926 177.584 0.076 0.000 1.164 806 A CA 2.294 54.374 52.037 0.072 0.000 0.644 806 A CB -0.745 18.297 19.000 0.068 0.000 0.805 806 A HN 0.411 nan 8.150 nan 0.000 0.449 807 T N -1.830 112.784 114.554 0.100 0.000 3.145 807 T HA 0.193 4.545 4.350 0.004 0.000 0.255 807 T C 1.527 176.334 174.700 0.179 0.000 1.039 807 T CA 0.820 62.988 62.100 0.114 0.000 0.928 807 T CB -0.414 68.523 68.868 0.115 0.000 1.029 807 T HN 0.332 nan 8.240 nan 0.000 0.554 808 S N 0.138 115.954 115.700 0.195 0.000 2.406 808 S HA 0.062 4.534 4.470 0.004 0.000 0.228 808 S C 2.299 177.079 174.600 0.300 0.000 1.020 808 S CA 1.051 59.430 58.200 0.298 0.000 0.965 808 S CB -0.555 62.774 63.200 0.215 0.000 0.798 808 S HN 0.701 nan 8.310 nan 0.000 0.488 809 G N 1.968 110.858 108.800 0.150 0.000 2.507 809 G HA2 -0.315 3.648 3.960 0.004 0.000 0.221 809 G HA3 -0.315 3.648 3.960 0.004 0.000 0.221 809 G C 1.288 176.191 174.900 0.005 0.000 1.119 809 G CA 1.112 46.268 45.100 0.093 0.000 0.751 809 G HN 0.455 nan 8.290 nan 0.000 0.574 810 K N -0.161 120.151 120.400 -0.146 0.000 2.173 810 K HA -0.131 4.191 4.320 0.004 0.000 0.207 810 K C 1.427 177.773 176.600 -0.424 0.000 1.046 810 K CA 1.079 57.133 56.287 -0.388 0.000 0.929 810 K CB -0.277 31.805 32.500 -0.698 0.000 0.720 810 K HN 0.430 nan 8.250 nan 0.000 0.453 811 F N 0.727 120.713 119.950 0.060 0.000 2.692 811 F HA 0.145 4.674 4.527 0.003 0.000 0.303 811 F C 0.978 176.831 175.800 0.088 0.000 1.114 811 F CA -0.357 57.686 58.000 0.072 0.000 1.361 811 F CB 0.098 39.138 39.000 0.067 0.000 1.063 811 F HN -0.168 nan 8.300 nan 0.000 0.550 812 S N 0.552 116.359 115.700 0.178 0.000 2.549 812 S HA 0.020 4.492 4.470 0.004 0.000 0.286 812 S C 1.531 176.223 174.600 0.153 0.000 1.314 812 S CA 0.102 58.393 58.200 0.152 0.000 1.062 812 S CB 0.607 63.866 63.200 0.099 0.000 0.865 812 S HN 0.396 nan 8.310 nan 0.000 0.498 813 S N 3.039 118.852 115.700 0.188 0.000 2.555 813 S HA -0.033 4.440 4.470 0.004 0.000 0.230 813 S C 0.837 175.511 174.600 0.124 0.000 0.978 813 S CA 0.554 58.891 58.200 0.229 0.000 0.934 813 S CB -0.234 63.169 63.200 0.337 0.000 0.766 813 S HN 0.775 nan 8.310 nan 0.000 0.533 814 D N 1.821 122.274 120.400 0.088 0.000 2.149 814 D HA -0.026 4.616 4.640 0.004 0.000 0.201 814 D C 2.095 178.410 176.300 0.024 0.000 0.972 814 D CA 0.590 54.618 54.000 0.047 0.000 0.835 814 D CB -0.327 40.497 40.800 0.040 0.000 0.966 814 D HN 0.277 nan 8.370 nan 0.000 0.476 815 R N 0.784 121.300 120.500 0.027 0.000 2.070 815 R HA -0.085 4.257 4.340 0.004 0.000 0.233 815 R C 1.897 178.190 176.300 -0.011 0.000 1.137 815 R CA 1.410 57.509 56.100 -0.002 0.000 0.945 815 R CB -0.803 29.485 30.300 -0.020 0.000 0.845 815 R HN 0.111 nan 8.270 nan 0.000 0.430 816 T N 2.157 116.726 114.554 0.025 0.000 2.684 816 T HA -0.132 4.220 4.350 0.004 0.000 0.267 816 T C 1.904 176.600 174.700 -0.006 0.000 1.036 816 T CA 1.383 63.505 62.100 0.036 0.000 1.148 816 T CB -0.122 68.849 68.868 0.172 0.000 0.863 816 T HN 0.110 nan 8.240 nan 0.000 0.436 817 I N 1.483 121.991 120.570 -0.103 0.000 2.252 817 I HA -0.082 4.090 4.170 0.004 0.000 0.245 817 I C 2.907 179.002 176.117 -0.037 0.000 1.102 817 I CA 0.967 62.188 61.300 -0.132 0.000 1.385 817 I CB -1.565 36.343 38.000 -0.153 0.000 1.064 817 I HN 0.189 nan 8.210 nan 0.000 0.414 818 A N 0.135 122.940 122.820 -0.024 0.000 1.940 818 A HA -0.243 4.080 4.320 0.004 0.000 0.219 818 A C 2.200 179.743 177.584 -0.070 0.000 1.176 818 A CA 1.440 53.465 52.037 -0.019 0.000 0.631 818 A CB -0.626 18.366 19.000 -0.012 0.000 0.814 818 A HN 0.512 nan 8.150 nan 0.000 0.446 819 Q N -2.063 117.669 119.800 -0.113 0.000 2.224 819 Q HA -0.156 4.187 4.340 0.004 0.000 0.203 819 Q C 1.746 177.541 176.000 -0.342 0.000 0.970 819 Q CA 1.354 57.041 55.803 -0.193 0.000 0.865 819 Q CB -0.205 28.411 28.738 -0.205 0.000 0.922 819 Q HN 0.864 nan 8.270 nan 0.000 0.445 820 Y N 0.132 120.151 120.300 -0.469 0.000 2.184 820 Y HA -0.164 4.389 4.550 0.004 0.000 0.290 820 Y C 2.442 177.821 175.900 -0.868 0.000 1.129 820 Y CA 1.135 58.690 58.100 -0.909 0.000 1.144 820 Y CB -0.322 37.244 38.460 -1.491 0.000 0.995 820 Y HN 0.111 nan 8.280 nan 0.000 0.513 821 A N 0.326 122.994 122.820 -0.254 0.000 1.877 821 A HA -0.206 4.117 4.320 0.004 0.000 0.216 821 A C 2.212 179.824 177.584 0.047 0.000 1.186 821 A CA 1.928 54.031 52.037 0.111 0.000 0.620 821 A CB -0.530 18.588 19.000 0.197 0.000 0.822 821 A HN 0.403 nan 8.150 nan 0.000 0.443 822 R N -0.654 119.827 120.500 -0.031 0.000 2.062 822 R HA -0.032 4.310 4.340 0.004 0.000 0.229 822 R C 1.718 177.996 176.300 -0.038 0.000 1.128 822 R CA 1.571 57.659 56.100 -0.021 0.000 0.960 822 R CB -0.189 30.090 30.300 -0.036 0.000 0.855 822 R HN 0.630 nan 8.270 nan 0.000 0.432 823 E N -0.769 119.371 120.200 -0.099 0.000 2.476 823 E HA 0.137 4.489 4.350 0.004 0.000 0.199 823 E C 1.219 177.771 176.600 -0.081 0.000 1.021 823 E CA 0.219 56.565 56.400 -0.090 0.000 0.907 823 E CB 0.664 30.287 29.700 -0.128 0.000 0.974 823 E HN 0.300 nan 8.360 nan 0.000 0.489 824 I N -1.130 119.364 120.570 -0.126 0.000 3.669 824 I HA 0.023 4.195 4.170 0.004 0.000 0.255 824 I C 1.087 177.311 176.117 0.179 0.000 1.144 824 I CA -0.076 61.201 61.300 -0.039 0.000 1.447 824 I CB 0.299 38.130 38.000 -0.283 0.000 1.622 824 I HN 0.142 nan 8.210 nan 0.000 0.435 825 W N 1.698 123.091 121.300 0.155 0.000 2.770 825 W HA 0.290 4.952 4.660 0.004 0.000 0.256 825 W C 1.382 177.939 176.519 0.062 0.000 1.291 825 W CA 0.759 58.180 57.345 0.127 0.000 1.396 825 W CB -1.196 28.334 29.460 0.116 0.000 1.114 825 W HN 0.342 nan 8.180 nan 0.000 0.637 826 G N 1.589 110.521 108.800 0.221 0.000 2.338 826 G HA2 -0.139 3.824 3.960 0.004 0.000 0.296 826 G HA3 -0.139 3.824 3.960 0.004 0.000 0.296 826 G C -0.184 174.785 174.900 0.115 0.000 1.040 826 G CA 0.417 45.588 45.100 0.119 0.000 1.004 826 G HN 0.212 nan 8.290 nan 0.000 0.509 827 V N -3.804 116.200 119.914 0.149 0.000 2.960 827 V HA 0.873 4.995 4.120 0.004 0.000 0.315 827 V C 0.017 176.161 176.094 0.084 0.000 1.087 827 V CA -1.751 60.608 62.300 0.099 0.000 0.982 827 V CB 2.290 34.172 31.823 0.099 0.000 1.039 827 V HN 0.176 nan 8.190 nan 0.000 0.437 828 E N 3.074 123.305 120.200 0.051 0.000 2.174 828 E HA 0.492 4.844 4.350 0.004 0.000 0.282 828 E C -2.510 174.119 176.600 0.047 0.000 0.992 828 E CA -1.655 54.772 56.400 0.044 0.000 0.803 828 E CB 1.996 31.713 29.700 0.027 0.000 1.090 828 E HN 0.706 nan 8.360 nan 0.000 0.396 829 P HA 0.101 nan 4.420 nan 0.000 0.274 829 P C -0.651 176.672 177.300 0.038 0.000 1.231 829 P CA -0.358 62.773 63.100 0.052 0.000 0.790 829 P CB 0.994 32.725 31.700 0.052 0.000 0.951 830 S N 1.134 116.858 115.700 0.039 0.000 2.571 830 S HA 0.402 4.874 4.470 0.004 0.000 0.284 830 S C 0.356 174.975 174.600 0.032 0.000 1.128 830 S CA -0.796 57.423 58.200 0.033 0.000 0.970 830 S CB 1.568 64.789 63.200 0.034 0.000 1.039 830 S HN 0.327 nan 8.310 nan 0.000 0.485 831 R N 1.693 122.209 120.500 0.026 0.000 2.317 831 R HA 0.230 4.573 4.340 0.004 0.000 0.208 831 R C 0.828 177.138 176.300 0.016 0.000 0.914 831 R CA -0.034 56.082 56.100 0.027 0.000 1.060 831 R CB 0.102 30.419 30.300 0.029 0.000 1.015 831 R HN 0.691 nan 8.270 nan 0.000 0.498 832 Q N 1.269 121.076 119.800 0.011 0.000 2.369 832 Q HA -0.066 4.276 4.340 0.004 0.000 0.295 832 Q C 0.126 176.116 176.000 -0.017 0.000 1.075 832 Q CA 0.498 56.300 55.803 -0.002 0.000 0.941 832 Q CB 0.697 29.435 28.738 -0.001 0.000 1.260 832 Q HN 0.169 nan 8.270 nan 0.000 0.417 833 R N 1.917 122.399 120.500 -0.030 0.000 2.668 833 R HA 0.477 4.819 4.340 0.004 0.000 0.268 833 R C -1.172 175.083 176.300 -0.074 0.000 1.232 833 R CA -0.448 55.622 56.100 -0.050 0.000 1.166 833 R CB 0.437 30.708 30.300 -0.049 0.000 1.179 833 R HN 0.524 nan 8.270 nan 0.000 0.606 834 L N 1.094 122.262 121.223 -0.091 0.000 2.466 834 L HA 0.521 4.864 4.340 0.004 0.000 0.258 834 L C -2.399 174.413 176.870 -0.097 0.000 0.973 834 L CA -1.909 52.855 54.840 -0.127 0.000 0.826 834 L CB 2.518 44.471 42.059 -0.178 0.000 1.372 834 L HN 0.672 nan 8.230 nan 0.000 0.409 835 P HA 0.589 nan 4.420 nan 0.000 0.282 835 P C -1.717 175.552 177.300 -0.052 0.000 1.287 835 P CA -0.640 62.425 63.100 -0.059 0.000 0.792 835 P CB 1.356 33.028 31.700 -0.047 0.000 1.163 836 A N 0.236 123.039 122.820 -0.028 0.000 2.771 836 A HA 0.522 4.845 4.320 0.004 0.000 0.301 836 A C -2.468 175.118 177.584 0.003 0.000 1.194 836 A CA -0.616 51.413 52.037 -0.013 0.000 0.837 836 A CB -1.070 17.929 19.000 -0.002 0.000 1.438 836 A HN 0.405 nan 8.150 nan 0.000 0.436 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.008 0.000 0.800 837 P CB 0.000 31.702 31.700 0.003 0.000 0.726