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 3e3l_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 HTVLPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG VEPSRQRLPA P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.995 176.000 -0.009 0.000 1.003 7 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 7 Q CB 0.000 28.732 28.738 -0.011 0.000 1.108 8 E N 0.875 121.070 120.200 -0.007 0.000 2.208 8 E HA -0.084 4.268 4.350 0.004 0.000 0.193 8 E C 0.863 177.459 176.600 -0.007 0.000 0.988 8 E CA 1.274 57.670 56.400 -0.006 0.000 0.828 8 E CB 0.289 29.986 29.700 -0.005 0.000 0.763 8 E HN 0.326 nan 8.360 nan 0.000 0.478 9 K N -0.361 120.034 120.400 -0.008 0.000 2.209 9 K HA -0.068 4.254 4.320 0.004 0.000 0.204 9 K C 1.925 178.519 176.600 -0.010 0.000 1.048 9 K CA 0.866 57.147 56.287 -0.009 0.000 0.940 9 K CB -0.052 32.442 32.500 -0.010 0.000 0.729 9 K HN -0.129 nan 8.250 nan 0.000 0.451 10 R N 0.644 121.137 120.500 -0.011 0.000 2.299 10 R HA 0.126 4.468 4.340 0.004 0.000 0.197 10 R C 1.301 177.594 176.300 -0.012 0.000 0.971 10 R CA 0.611 56.703 56.100 -0.013 0.000 1.030 10 R CB 0.156 30.448 30.300 -0.014 0.000 0.932 10 R HN -0.046 nan 8.270 nan 0.000 0.477 11 K N 0.211 120.606 120.400 -0.009 0.000 2.211 11 K HA -0.113 4.209 4.320 0.004 0.000 0.203 11 K C 1.361 177.957 176.600 -0.007 0.000 1.050 11 K CA 1.137 57.420 56.287 -0.007 0.000 0.945 11 K CB 0.147 32.645 32.500 -0.004 0.000 0.732 11 K HN 0.383 nan 8.250 nan 0.000 0.451 12 Q N 0.179 119.974 119.800 -0.008 0.000 2.541 12 Q HA 0.024 4.366 4.340 0.004 0.000 0.215 12 Q C 0.144 176.139 176.000 -0.010 0.000 0.977 12 Q CA 0.324 56.123 55.803 -0.008 0.000 0.934 12 Q CB 0.017 28.750 28.738 -0.008 0.000 0.988 12 Q HN 0.264 nan 8.270 nan 0.000 0.521 13 I N 0.731 121.294 120.570 -0.011 0.000 2.256 13 I HA 0.135 4.307 4.170 0.004 0.000 0.294 13 I C -0.120 175.990 176.117 -0.012 0.000 1.127 13 I CA -0.222 61.070 61.300 -0.013 0.000 1.247 13 I CB 0.709 38.698 38.000 -0.017 0.000 1.460 13 I HN -0.144 nan 8.210 nan 0.000 0.511 14 S N 3.189 118.884 115.700 -0.009 0.000 2.570 14 S HA 0.415 4.887 4.470 0.004 0.000 0.270 14 S C 0.743 175.341 174.600 -0.003 0.000 1.149 14 S CA -0.715 57.482 58.200 -0.005 0.000 0.837 14 S CB 1.893 65.093 63.200 -0.002 0.000 1.124 14 S HN 0.288 nan 8.310 nan 0.000 0.465 15 V N 4.258 124.172 119.914 0.000 0.000 2.871 15 V HA -0.062 4.061 4.120 0.004 0.000 0.256 15 V C 2.583 178.679 176.094 0.004 0.000 1.082 15 V CA 1.423 63.724 62.300 0.002 0.000 1.105 15 V CB -1.450 30.378 31.823 0.008 0.000 0.713 15 V HN 0.901 nan 8.190 nan 0.000 0.473 16 R N 2.917 123.420 120.500 0.006 0.000 2.206 16 R HA -0.206 4.136 4.340 0.004 0.000 0.240 16 R C 1.654 177.960 176.300 0.009 0.000 1.117 16 R CA 2.327 58.432 56.100 0.008 0.000 0.915 16 R CB -1.462 28.843 30.300 0.008 0.000 0.888 16 R HN 0.522 nan 8.270 nan 0.000 0.432 17 G N 1.420 110.224 108.800 0.007 0.000 4.198 17 G HA2 0.455 4.417 3.960 0.004 0.000 0.282 17 G HA3 0.455 4.417 3.960 0.004 0.000 0.282 17 G C -0.933 173.970 174.900 0.005 0.000 1.262 17 G CA -0.550 44.555 45.100 0.008 0.000 1.473 17 G HN 0.027 nan 8.290 nan 0.000 0.624 18 L N 1.123 122.345 121.223 -0.002 0.000 2.337 18 L HA 0.574 4.917 4.340 0.004 0.000 0.269 18 L C 0.948 177.797 176.870 -0.036 0.000 1.018 18 L CA -0.573 54.259 54.840 -0.013 0.000 0.876 18 L CB 0.896 42.947 42.059 -0.015 0.000 1.236 18 L HN 0.517 nan 8.230 nan 0.000 0.436 19 A N 2.571 125.380 122.820 -0.018 0.000 2.783 19 A HA -0.143 4.179 4.320 0.004 0.000 0.292 19 A C 1.010 178.610 177.584 0.028 0.000 1.495 19 A CA 0.808 52.838 52.037 -0.012 0.000 0.787 19 A CB -2.028 16.924 19.000 -0.081 0.000 1.017 19 A HN 0.878 nan 8.150 nan 0.000 0.516 20 G N -0.551 108.278 108.800 0.047 0.000 2.360 20 G HA2 0.687 4.649 3.960 0.004 0.000 0.279 20 G HA3 0.687 4.649 3.960 0.004 0.000 0.279 20 G C 0.101 175.068 174.900 0.112 0.000 1.189 20 G CA 0.747 45.897 45.100 0.084 0.000 0.941 20 G HN 2.259 nan 8.290 nan 0.000 0.445 21 V N -0.570 119.439 119.914 0.158 0.000 2.934 21 V HA 0.311 4.434 4.120 0.004 0.000 0.272 21 V C -1.260 174.868 176.094 0.058 0.000 1.910 21 V CA -1.530 60.830 62.300 0.100 0.000 0.906 21 V CB 0.954 32.829 31.823 0.086 0.000 1.365 21 V HN 0.686 nan 8.190 nan 0.000 0.418 22 E N 1.534 121.735 120.200 0.001 0.000 2.063 22 E HA 0.577 4.930 4.350 0.004 0.000 0.265 22 E C -0.661 175.933 176.600 -0.010 0.000 0.919 22 E CA -0.188 56.183 56.400 -0.047 0.000 0.756 22 E CB 1.297 30.965 29.700 -0.053 0.000 1.120 22 E HN 0.640 nan 8.360 nan 0.000 0.414 23 N N 2.754 121.458 118.700 0.006 0.000 2.533 23 N HA 0.074 4.816 4.740 0.004 0.000 0.289 23 N C 0.686 176.212 175.510 0.026 0.000 1.103 23 N CA -0.240 52.824 53.050 0.023 0.000 0.877 23 N CB 1.492 40.005 38.487 0.043 0.000 1.419 23 N HN 0.145 nan 8.380 nan 0.000 0.517 24 V N 2.092 122.014 119.914 0.015 0.000 2.313 24 V HA -0.317 3.805 4.120 0.004 0.000 0.253 24 V C 2.087 178.196 176.094 0.025 0.000 1.070 24 V CA 2.089 64.398 62.300 0.016 0.000 1.057 24 V CB -0.683 31.147 31.823 0.013 0.000 0.653 24 V HN 0.722 nan 8.190 nan 0.000 0.450 25 T N -0.214 114.356 114.554 0.027 0.000 2.595 25 T HA -0.199 4.153 4.350 0.004 0.000 0.264 25 T C 1.821 176.551 174.700 0.050 0.000 1.058 25 T CA 1.729 63.848 62.100 0.031 0.000 1.166 25 T CB -0.330 68.555 68.868 0.027 0.000 0.863 25 T HN 0.536 nan 8.240 nan 0.000 0.415 26 E N 1.169 121.408 120.200 0.065 0.000 2.204 26 E HA 0.032 4.385 4.350 0.004 0.000 0.194 26 E C 2.338 179.018 176.600 0.133 0.000 0.989 26 E CA 0.506 56.962 56.400 0.094 0.000 0.824 26 E CB -0.431 29.335 29.700 0.109 0.000 0.756 26 E HN 0.476 nan 8.360 nan 0.000 0.477 27 L N 0.747 122.045 121.223 0.125 0.000 2.093 27 L HA -0.120 4.222 4.340 0.004 0.000 0.208 27 L C 2.433 179.407 176.870 0.172 0.000 1.085 27 L CA 1.034 55.971 54.840 0.161 0.000 0.755 27 L CB -0.294 41.826 42.059 0.103 0.000 0.904 27 L HN 0.028 nan 8.230 nan 0.000 0.435 28 K N -0.093 120.368 120.400 0.102 0.000 2.148 28 K HA -0.174 4.149 4.320 0.004 0.000 0.204 28 K C 2.168 178.845 176.600 0.129 0.000 1.050 28 K CA 0.765 57.100 56.287 0.081 0.000 0.942 28 K CB -0.068 32.440 32.500 0.014 0.000 0.724 28 K HN 0.115 nan 8.250 nan 0.000 0.446 29 K N 1.368 121.832 120.400 0.107 0.000 2.057 29 K HA -0.106 4.216 4.320 0.004 0.000 0.206 29 K C 1.553 178.221 176.600 0.112 0.000 1.050 29 K CA 1.306 57.645 56.287 0.087 0.000 0.935 29 K CB 0.007 32.547 32.500 0.065 0.000 0.715 29 K HN 0.056 nan 8.250 nan 0.000 0.439 30 N N 0.366 119.165 118.700 0.164 0.000 2.171 30 N HA -0.106 4.636 4.740 0.004 0.000 0.184 30 N C 1.591 177.257 175.510 0.260 0.000 1.021 30 N CA 0.628 53.790 53.050 0.186 0.000 0.854 30 N CB -0.517 38.122 38.487 0.253 0.000 0.994 30 N HN 0.114 nan 8.380 nan 0.000 0.426 31 F N 2.280 122.322 119.950 0.152 0.000 2.091 31 F HA -0.195 4.334 4.527 0.004 0.000 0.299 31 F C 2.017 177.894 175.800 0.128 0.000 1.103 31 F CA 1.461 59.552 58.000 0.151 0.000 1.228 31 F CB -0.246 38.815 39.000 0.101 0.000 0.984 31 F HN 0.046 nan 8.300 nan 0.000 0.477 32 N N 0.374 119.286 118.700 0.352 0.000 2.084 32 N HA -0.167 4.576 4.740 0.004 0.000 0.190 32 N C 2.051 177.593 175.510 0.054 0.000 1.030 32 N CA 1.215 54.415 53.050 0.250 0.000 0.849 32 N CB -0.382 38.202 38.487 0.161 0.000 1.012 32 N HN 0.355 nan 8.380 nan 0.000 0.423 33 R N 0.178 120.632 120.500 -0.077 0.000 2.133 33 R HA -0.183 4.159 4.340 0.004 0.000 0.245 33 R C 1.939 178.082 176.300 -0.261 0.000 1.137 33 R CA 1.732 57.686 56.100 -0.242 0.000 0.947 33 R CB -0.558 29.604 30.300 -0.229 0.000 0.865 33 R HN 0.513 nan 8.270 nan 0.000 0.437 34 H N -0.502 118.503 119.070 -0.108 0.000 2.372 34 H HA -0.054 4.505 4.556 0.004 0.000 0.301 34 H C 1.924 177.098 175.328 -0.258 0.000 1.065 34 H CA 1.097 57.032 56.048 -0.190 0.000 1.364 34 H CB -0.003 29.634 29.762 -0.208 0.000 1.406 34 H HN 0.042 nan 8.280 nan 0.000 0.521 35 L N 0.210 121.310 121.223 -0.205 0.000 2.012 35 L HA -0.237 4.105 4.340 0.004 0.000 0.210 35 L C 1.773 178.445 176.870 -0.332 0.000 1.073 35 L CA 1.945 56.599 54.840 -0.310 0.000 0.748 35 L CB -0.298 41.544 42.059 -0.362 0.000 0.891 35 L HN 0.317 nan 8.230 nan 0.000 0.431 36 H N -2.520 116.426 119.070 -0.206 0.000 2.343 36 H HA -0.001 4.558 4.556 0.004 0.000 0.303 36 H C 1.597 176.885 175.328 -0.068 0.000 1.068 36 H CA 1.940 57.852 56.048 -0.227 0.000 1.359 36 H CB -0.087 29.403 29.762 -0.453 0.000 1.402 36 H HN 0.232 nan 8.280 nan 0.000 0.515 37 F N -0.558 119.396 119.950 0.007 0.000 2.530 37 F HA 0.085 4.614 4.527 0.004 0.000 0.292 37 F C 2.065 177.808 175.800 -0.095 0.000 1.109 37 F CA 0.759 58.727 58.000 -0.054 0.000 1.450 37 F CB -0.417 38.532 39.000 -0.086 0.000 1.114 37 F HN 0.047 nan 8.300 nan 0.000 0.560 38 T N -0.567 114.017 114.554 0.050 0.000 3.039 38 T HA 0.083 4.436 4.350 0.004 0.000 0.250 38 T C 1.717 176.348 174.700 -0.115 0.000 1.052 38 T CA 0.599 62.658 62.100 -0.069 0.000 1.125 38 T CB 0.099 68.862 68.868 -0.176 0.000 0.908 38 T HN -0.059 nan 8.240 nan 0.000 0.473 39 L N 0.755 121.907 121.223 -0.118 0.000 2.556 39 L HA 0.326 4.668 4.340 0.004 0.000 0.226 39 L C 0.868 177.675 176.870 -0.104 0.000 1.089 39 L CA 0.313 55.069 54.840 -0.140 0.000 0.864 39 L CB -0.342 41.608 42.059 -0.182 0.000 1.067 39 L HN 0.026 nan 8.230 nan 0.000 0.477 40 V N -0.558 119.324 119.914 -0.055 0.000 5.325 40 V HA -0.302 3.820 4.120 0.004 0.000 0.291 40 V C 0.697 176.749 176.094 -0.070 0.000 0.541 40 V CA 0.889 63.175 62.300 -0.023 0.000 0.687 40 V CB -2.174 29.644 31.823 -0.008 0.000 0.491 40 V HN 0.313 nan 8.190 nan 0.000 1.145 41 K N 0.992 121.309 120.400 -0.138 0.000 2.316 41 K HA 0.849 5.171 4.320 0.004 0.000 0.234 41 K C -0.179 176.280 176.600 -0.235 0.000 1.054 41 K CA -0.129 56.054 56.287 -0.174 0.000 0.879 41 K CB 2.128 34.492 32.500 -0.227 0.000 1.252 41 K HN 0.564 nan 8.250 nan 0.000 0.471 42 D N -2.360 117.920 120.400 -0.199 0.000 2.643 42 D HA 0.137 4.779 4.640 0.004 0.000 0.283 42 D C 0.396 176.652 176.300 -0.073 0.000 1.242 42 D CA -0.700 53.192 54.000 -0.179 0.000 0.863 42 D CB 0.514 41.329 40.800 0.024 0.000 1.382 42 D HN 0.430 nan 8.370 nan 0.000 0.444 43 R N 0.178 120.712 120.500 0.057 0.000 2.293 43 R HA 0.000 4.342 4.340 0.004 0.000 0.219 43 R C 0.505 176.861 176.300 0.094 0.000 1.091 43 R CA 1.392 57.583 56.100 0.151 0.000 1.004 43 R CB -0.762 29.656 30.300 0.197 0.000 0.865 43 R HN 0.354 nan 8.270 nan 0.000 0.469 44 N N -0.012 118.717 118.700 0.048 0.000 2.333 44 N HA -0.031 4.711 4.740 0.004 0.000 0.178 44 N C 1.119 176.631 175.510 0.004 0.000 1.018 44 N CA 0.921 53.989 53.050 0.031 0.000 0.882 44 N CB 0.370 38.873 38.487 0.027 0.000 0.984 44 N HN -0.017 nan 8.380 nan 0.000 0.434 45 V N 0.434 120.330 119.914 -0.030 0.000 3.431 45 V HA 0.282 4.404 4.120 0.004 0.000 0.253 45 V C 0.763 176.793 176.094 -0.107 0.000 1.184 45 V CA 0.009 62.276 62.300 -0.056 0.000 1.104 45 V CB -0.093 31.695 31.823 -0.059 0.000 0.799 45 V HN 0.222 nan 8.190 nan 0.000 0.462 46 A N 0.464 123.182 122.820 -0.169 0.000 2.483 46 A HA 0.427 4.749 4.320 0.004 0.000 0.238 46 A C 0.452 177.846 177.584 -0.317 0.000 1.070 46 A CA 0.627 52.448 52.037 -0.359 0.000 0.770 46 A CB 0.016 18.599 19.000 -0.695 0.000 1.008 46 A HN 0.322 nan 8.150 nan 0.000 0.497 47 T N 2.841 117.190 114.554 -0.342 0.000 2.940 47 T HA 0.482 4.835 4.350 0.004 0.000 0.288 47 T C -1.784 172.834 174.700 -0.136 0.000 1.033 47 T CA -1.000 60.996 62.100 -0.172 0.000 1.033 47 T CB 1.563 70.352 68.868 -0.132 0.000 1.079 47 T HN 0.415 nan 8.240 nan 0.000 0.496 48 P HA -0.171 nan 4.420 nan 0.000 0.216 48 P C 1.548 178.961 177.300 0.188 0.000 1.154 48 P CA 1.126 64.344 63.100 0.196 0.000 0.865 48 P CB 0.163 31.947 31.700 0.140 0.000 0.789 49 R N -0.160 120.401 120.500 0.102 0.000 2.091 49 R HA -0.173 4.169 4.340 0.004 0.000 0.238 49 R C 1.740 178.214 176.300 0.290 0.000 1.136 49 R CA 1.964 58.177 56.100 0.188 0.000 0.959 49 R CB -0.758 29.540 30.300 -0.003 0.000 0.856 49 R HN 0.098 nan 8.270 nan 0.000 0.437 50 D N -0.364 120.048 120.400 0.019 0.000 2.097 50 D HA -0.180 4.462 4.640 0.004 0.000 0.195 50 D C 1.790 178.093 176.300 0.005 0.000 0.989 50 D CA 1.361 55.311 54.000 -0.084 0.000 0.827 50 D CB -0.374 40.226 40.800 -0.333 0.000 0.966 50 D HN 0.301 nan 8.370 nan 0.000 0.456 51 Y N -0.056 120.326 120.300 0.137 0.000 2.224 51 Y HA -0.201 4.351 4.550 0.004 0.000 0.289 51 Y C 2.293 178.308 175.900 0.191 0.000 1.146 51 Y CA 0.489 58.703 58.100 0.191 0.000 1.182 51 Y CB -1.045 37.600 38.460 0.308 0.000 0.983 51 Y HN 0.114 nan 8.280 nan 0.000 0.524 52 Y N -0.627 119.828 120.300 0.259 0.000 2.181 52 Y HA -0.269 4.284 4.550 0.004 0.000 0.288 52 Y C 1.876 177.772 175.900 -0.008 0.000 1.146 52 Y CA 1.227 59.398 58.100 0.119 0.000 1.164 52 Y CB -1.063 37.419 38.460 0.038 0.000 0.982 52 Y HN 0.046 nan 8.280 nan 0.000 0.515 53 F N 0.265 119.958 119.950 -0.428 0.000 2.186 53 F HA -0.117 4.412 4.527 0.004 0.000 0.299 53 F C 2.651 178.263 175.800 -0.313 0.000 1.090 53 F CA 1.345 59.033 58.000 -0.520 0.000 1.307 53 F CB -0.848 38.029 39.000 -0.204 0.000 1.019 53 F HN 0.198 nan 8.300 nan 0.000 0.489 54 A N -0.139 122.605 122.820 -0.127 0.000 1.902 54 A HA -0.192 4.130 4.320 0.004 0.000 0.217 54 A C 2.070 179.441 177.584 -0.355 0.000 1.181 54 A CA 1.701 53.531 52.037 -0.345 0.000 0.623 54 A CB -1.041 17.487 19.000 -0.787 0.000 0.818 54 A HN 0.356 nan 8.150 nan 0.000 0.443 55 L N -0.319 120.779 121.223 -0.207 0.000 2.027 55 L HA 0.015 4.357 4.340 0.004 0.000 0.206 55 L C 2.678 179.477 176.870 -0.119 0.000 1.074 55 L CA 2.152 57.024 54.840 0.052 0.000 0.745 55 L CB -0.884 41.335 42.059 0.267 0.000 0.898 55 L HN 0.335 nan 8.230 nan 0.000 0.433 56 A N -1.128 121.442 122.820 -0.417 0.000 1.917 56 A HA -0.312 4.011 4.320 0.004 0.000 0.219 56 A C 2.150 179.332 177.584 -0.670 0.000 1.182 56 A CA 2.171 53.817 52.037 -0.651 0.000 0.633 56 A CB -1.184 17.036 19.000 -1.299 0.000 0.819 56 A HN 0.706 nan 8.150 nan 0.000 0.448 57 H N -1.221 117.497 119.070 -0.587 0.000 2.457 57 H HA -0.035 4.523 4.556 0.004 0.000 0.294 57 H C 2.233 177.202 175.328 -0.599 0.000 1.064 57 H CA 1.792 57.430 56.048 -0.683 0.000 1.330 57 H CB 0.046 29.245 29.762 -0.939 0.000 1.395 57 H HN 0.478 nan 8.280 nan 0.000 0.541 58 T N -0.636 113.809 114.554 -0.182 0.000 2.851 58 T HA -0.087 4.266 4.350 0.004 0.000 0.262 58 T C 2.227 177.046 174.700 0.198 0.000 1.043 58 T CA 1.019 63.175 62.100 0.093 0.000 1.140 58 T CB -0.226 68.777 68.868 0.226 0.000 0.872 58 T HN 0.092 nan 8.240 nan 0.000 0.446 59 V N 1.454 121.447 119.914 0.133 0.000 2.427 59 V HA -0.116 4.006 4.120 0.004 0.000 0.248 59 V C 2.635 178.862 176.094 0.222 0.000 1.051 59 V CA 1.447 63.864 62.300 0.194 0.000 1.048 59 V CB -0.572 31.375 31.823 0.206 0.000 0.666 59 V HN 0.340 nan 8.190 nan 0.000 0.456 60 R N 0.003 120.571 120.500 0.115 0.000 2.083 60 R HA -0.204 4.139 4.340 0.004 0.000 0.237 60 R C 2.120 178.492 176.300 0.121 0.000 1.137 60 R CA 2.044 58.207 56.100 0.104 0.000 0.951 60 R CB -0.407 29.823 30.300 -0.117 0.000 0.851 60 R HN 0.488 nan 8.270 nan 0.000 0.434 61 D N -0.535 119.921 120.400 0.095 0.000 2.133 61 D HA -0.176 4.467 4.640 0.004 0.000 0.195 61 D C 1.755 178.042 176.300 -0.022 0.000 0.997 61 D CA 1.560 55.588 54.000 0.047 0.000 0.840 61 D CB -0.280 40.528 40.800 0.013 0.000 0.947 61 D HN 0.466 nan 8.370 nan 0.000 0.452 62 H N -0.458 118.666 119.070 0.091 0.000 2.436 62 H HA 0.151 4.709 4.556 0.004 0.000 0.294 62 H C 2.102 177.467 175.328 0.062 0.000 1.048 62 H CA 0.287 56.377 56.048 0.070 0.000 1.353 62 H CB 0.072 29.866 29.762 0.054 0.000 1.414 62 H HN 0.052 nan 8.280 nan 0.000 0.536 63 L N 0.780 122.111 121.223 0.180 0.000 2.072 63 L HA -0.121 4.221 4.340 0.004 0.000 0.205 63 L C 2.142 179.096 176.870 0.140 0.000 1.079 63 L CA 1.141 56.044 54.840 0.104 0.000 0.752 63 L CB -0.082 42.023 42.059 0.076 0.000 0.906 63 L HN 0.335 nan 8.230 nan 0.000 0.436 64 V N -3.527 116.507 119.914 0.200 0.000 2.591 64 V HA 0.022 4.144 4.120 0.004 0.000 0.249 64 V C 2.379 178.614 176.094 0.234 0.000 1.053 64 V CA 1.279 63.779 62.300 0.334 0.000 1.068 64 V CB -1.638 30.391 31.823 0.343 0.000 0.689 64 V HN 0.404 nan 8.190 nan 0.000 0.462 65 G N 1.102 109.982 108.800 0.133 0.000 2.529 65 G HA2 -0.299 3.663 3.960 0.004 0.000 0.219 65 G HA3 -0.299 3.663 3.960 0.004 0.000 0.219 65 G C 1.766 176.725 174.900 0.098 0.000 1.177 65 G CA 1.268 46.419 45.100 0.084 0.000 0.773 65 G HN 0.548 nan 8.290 nan 0.000 0.573 66 R N -1.555 119.009 120.500 0.107 0.000 2.189 66 R HA -0.033 4.309 4.340 0.004 0.000 0.223 66 R C 2.205 178.589 176.300 0.138 0.000 1.092 66 R CA 0.840 56.990 56.100 0.083 0.000 0.989 66 R CB -0.233 30.093 30.300 0.043 0.000 0.876 66 R HN 0.513 nan 8.270 nan 0.000 0.457 67 W N 1.641 122.915 121.300 -0.043 0.000 2.408 67 W HA -0.041 4.622 4.660 0.004 0.000 0.311 67 W C 1.716 178.202 176.519 -0.055 0.000 1.190 67 W CA 0.567 57.874 57.345 -0.063 0.000 1.321 67 W CB -0.451 28.989 29.460 -0.034 0.000 1.143 67 W HN -0.144 nan 8.180 nan 0.000 0.501 68 I N 1.166 121.779 120.570 0.072 0.000 2.113 68 I HA -0.370 3.803 4.170 0.004 0.000 0.242 68 I C 2.394 178.505 176.117 -0.011 0.000 1.064 68 I CA 1.759 63.028 61.300 -0.051 0.000 1.320 68 I CB -1.503 36.486 38.000 -0.018 0.000 1.028 68 I HN 0.024 nan 8.210 nan 0.000 0.406 69 R N 0.464 120.981 120.500 0.029 0.000 2.073 69 R HA -0.101 4.241 4.340 0.004 0.000 0.234 69 R C 2.250 178.566 176.300 0.028 0.000 1.134 69 R CA 1.767 57.888 56.100 0.034 0.000 0.952 69 R CB -1.430 28.888 30.300 0.029 0.000 0.850 69 R HN 0.409 nan 8.270 nan 0.000 0.433 70 T N 1.410 115.947 114.554 -0.028 0.000 2.833 70 T HA -0.137 4.216 4.350 0.004 0.000 0.269 70 T C 1.781 176.292 174.700 -0.314 0.000 1.054 70 T CA 1.240 63.229 62.100 -0.185 0.000 1.135 70 T CB -0.038 68.680 68.868 -0.251 0.000 0.869 70 T HN 0.124 nan 8.240 nan 0.000 0.466 71 Q N 0.986 120.701 119.800 -0.142 0.000 2.062 71 Q HA 0.076 4.418 4.340 0.004 0.000 0.196 71 Q C 2.505 178.624 176.000 0.200 0.000 0.967 71 Q CA 1.234 57.027 55.803 -0.016 0.000 0.832 71 Q CB -0.336 28.388 28.738 -0.023 0.000 0.899 71 Q HN 0.560 nan 8.270 nan 0.000 0.442 72 Q N -0.785 119.098 119.800 0.137 0.000 2.045 72 Q HA -0.276 4.066 4.340 0.004 0.000 0.206 72 Q C 1.974 178.100 176.000 0.211 0.000 0.991 72 Q CA 1.944 57.843 55.803 0.160 0.000 0.851 72 Q CB -0.335 28.457 28.738 0.090 0.000 0.911 72 Q HN 0.554 nan 8.270 nan 0.000 0.418 73 H N -0.868 118.271 119.070 0.115 0.000 2.387 73 H HA -0.178 4.380 4.556 0.004 0.000 0.299 73 H C 1.287 176.779 175.328 0.273 0.000 1.099 73 H CA 1.616 57.759 56.048 0.158 0.000 1.315 73 H CB -0.009 29.830 29.762 0.129 0.000 1.380 73 H HN 0.264 nan 8.280 nan 0.000 0.513 74 Y N -1.020 119.267 120.300 -0.022 0.000 2.516 74 Y HA -0.072 4.481 4.550 0.004 0.000 0.291 74 Y C 1.427 177.215 175.900 -0.186 0.000 1.131 74 Y CA 0.429 58.451 58.100 -0.130 0.000 1.281 74 Y CB -0.648 37.771 38.460 -0.068 0.000 1.013 74 Y HN 0.384 nan 8.280 nan 0.000 0.554 75 Y N 0.450 120.810 120.300 0.099 0.000 2.544 75 Y HA -0.067 4.485 4.550 0.004 0.000 0.286 75 Y C 2.020 177.915 175.900 -0.008 0.000 1.141 75 Y CA 0.752 58.878 58.100 0.043 0.000 1.299 75 Y CB 0.358 38.841 38.460 0.038 0.000 1.030 75 Y HN 0.185 nan 8.280 nan 0.000 0.543 76 E N -0.887 119.355 120.200 0.070 0.000 2.256 76 E HA -0.009 4.344 4.350 0.004 0.000 0.198 76 E C 1.508 178.074 176.600 -0.057 0.000 0.908 76 E CA 0.407 56.814 56.400 0.011 0.000 0.915 76 E CB -0.287 29.420 29.700 0.010 0.000 0.890 76 E HN 0.110 nan 8.360 nan 0.000 0.484 77 K N 1.368 121.679 120.400 -0.148 0.000 2.283 77 K HA -0.085 4.237 4.320 0.004 0.000 0.202 77 K C -0.265 176.256 176.600 -0.131 0.000 1.048 77 K CA 0.868 57.056 56.287 -0.165 0.000 0.948 77 K CB -0.630 31.695 32.500 -0.291 0.000 0.742 77 K HN 0.113 nan 8.250 nan 0.000 0.458 78 D N 0.209 120.531 120.400 -0.130 0.000 2.886 78 D HA -0.134 4.509 4.640 0.004 0.000 0.221 78 D C -2.492 173.732 176.300 -0.127 0.000 1.227 78 D CA 0.001 53.930 54.000 -0.117 0.000 0.746 78 D CB 0.027 40.789 40.800 -0.063 0.000 0.935 78 D HN 0.123 nan 8.370 nan 0.000 0.399 79 P HA 0.167 nan 4.420 nan 0.000 0.281 79 P C -0.622 176.577 177.300 -0.168 0.000 1.264 79 P CA -0.770 62.220 63.100 -0.183 0.000 0.824 79 P CB 0.656 32.194 31.700 -0.271 0.000 1.092 80 K N 1.880 122.199 120.400 -0.135 0.000 2.319 80 K HA -0.005 4.317 4.320 0.004 0.000 0.277 80 K C -0.093 176.391 176.600 -0.193 0.000 1.111 80 K CA 0.064 56.268 56.287 -0.138 0.000 1.093 80 K CB -0.189 32.256 32.500 -0.092 0.000 0.910 80 K HN 0.255 nan 8.250 nan 0.000 0.452 81 R N 3.488 123.857 120.500 -0.217 0.000 2.491 81 R HA 0.152 4.494 4.340 0.004 0.000 0.283 81 R C 0.115 176.151 176.300 -0.440 0.000 1.072 81 R CA -0.086 55.832 56.100 -0.303 0.000 1.048 81 R CB 0.580 30.710 30.300 -0.284 0.000 0.983 81 R HN 0.557 nan 8.270 nan 0.000 0.450 82 I N 4.367 124.634 120.570 -0.506 0.000 2.404 82 I HA 0.271 4.443 4.170 0.004 0.000 0.293 82 I C -1.351 174.458 176.117 -0.513 0.000 0.992 82 I CA -0.801 60.152 61.300 -0.579 0.000 1.149 82 I CB 0.967 38.460 38.000 -0.845 0.000 1.315 82 I HN 0.588 nan 8.210 nan 0.000 0.446 83 Y N 7.516 127.799 120.300 -0.028 0.000 2.328 83 Y HA 0.293 4.845 4.550 0.004 0.000 0.333 83 Y C -0.767 175.266 175.900 0.221 0.000 0.958 83 Y CA -0.608 57.600 58.100 0.180 0.000 1.167 83 Y CB 1.303 39.830 38.460 0.112 0.000 1.151 83 Y HN 0.440 nan 8.280 nan 0.000 0.470 84 Y N 4.712 125.226 120.300 0.357 0.000 2.417 84 Y HA 0.495 5.048 4.550 0.004 0.000 0.336 84 Y C -0.869 175.300 175.900 0.449 0.000 0.961 84 Y CA -0.878 57.426 58.100 0.340 0.000 1.215 84 Y CB 0.477 39.129 38.460 0.320 0.000 1.120 84 Y HN 0.522 nan 8.280 nan 0.000 0.499 85 L N 5.261 126.555 121.223 0.118 0.000 2.281 85 L HA 0.441 4.784 4.340 0.004 0.000 0.285 85 L C 0.029 176.903 176.870 0.007 0.000 1.074 85 L CA -0.256 54.689 54.840 0.175 0.000 0.817 85 L CB 0.997 43.125 42.059 0.115 0.000 1.168 85 L HN 0.534 nan 8.230 nan 0.000 0.434 86 S N 1.903 117.670 115.700 0.110 0.000 2.546 86 S HA 0.353 4.826 4.470 0.004 0.000 0.272 86 S C 0.359 174.985 174.600 0.042 0.000 1.140 86 S CA -0.592 57.557 58.200 -0.086 0.000 0.920 86 S CB 1.674 64.576 63.200 -0.497 0.000 1.083 86 S HN 0.522 nan 8.310 nan 0.000 0.476 87 L N 3.669 124.954 121.223 0.103 0.000 2.017 87 L HA 0.170 4.512 4.340 0.004 0.000 0.208 87 L C 0.771 177.769 176.870 0.214 0.000 1.073 87 L CA 1.873 56.830 54.840 0.195 0.000 0.745 87 L CB -0.306 41.829 42.059 0.126 0.000 0.894 87 L HN 0.735 nan 8.230 nan 0.000 0.432 88 E N -1.542 118.663 120.200 0.008 0.000 2.204 88 E HA 0.353 4.706 4.350 0.004 0.000 0.276 88 E C -1.308 175.172 176.600 -0.201 0.000 0.974 88 E CA -0.408 55.979 56.400 -0.022 0.000 0.815 88 E CB 1.095 30.704 29.700 -0.151 0.000 1.119 88 E HN -0.049 nan 8.360 nan 0.000 0.393 89 F N 1.845 121.862 119.950 0.113 0.000 2.577 89 F HA 0.149 4.679 4.527 0.004 0.000 0.344 89 F C -0.733 175.128 175.800 0.101 0.000 1.145 89 F CA -0.876 57.188 58.000 0.108 0.000 0.996 89 F CB 1.049 40.114 39.000 0.108 0.000 1.248 89 F HN 0.503 nan 8.300 nan 0.000 0.447 90 Y N 4.775 125.128 120.300 0.089 0.000 2.767 90 Y HA 0.147 4.699 4.550 0.004 0.000 0.354 90 Y C 1.257 177.146 175.900 -0.017 0.000 1.292 90 Y CA -0.716 57.382 58.100 -0.004 0.000 1.749 90 Y CB 0.037 38.478 38.460 -0.032 0.000 1.841 90 Y HN 0.623 nan 8.280 nan 0.000 0.454 91 M N 0.763 120.438 119.600 0.126 0.000 2.202 91 M HA -0.005 4.477 4.480 0.004 0.000 0.262 91 M C 1.718 177.928 176.300 -0.150 0.000 1.063 91 M CA 1.346 56.626 55.300 -0.032 0.000 1.097 91 M CB -0.999 31.558 32.600 -0.071 0.000 1.382 91 M HN 0.680 nan 8.290 nan 0.000 0.413 92 G N -0.085 108.605 108.800 -0.184 0.000 2.539 92 G HA2 -0.291 3.671 3.960 0.004 0.000 0.256 92 G HA3 -0.291 3.671 3.960 0.004 0.000 0.256 92 G C -0.071 174.709 174.900 -0.201 0.000 1.233 92 G CA 0.013 44.965 45.100 -0.248 0.000 0.936 92 G HN 0.457 nan 8.290 nan 0.000 0.571 93 R N -0.707 119.669 120.500 -0.207 0.000 2.500 93 R HA 0.623 4.966 4.340 0.004 0.000 0.277 93 R C 0.983 177.133 176.300 -0.251 0.000 1.026 93 R CA 0.179 56.180 56.100 -0.166 0.000 1.058 93 R CB 1.076 31.294 30.300 -0.137 0.000 1.078 93 R HN 0.530 nan 8.270 nan 0.000 0.509 94 T N 1.081 115.451 114.554 -0.306 0.000 2.978 94 T HA 0.076 4.429 4.350 0.004 0.000 0.248 94 T C 1.643 176.010 174.700 -0.556 0.000 1.018 94 T CA -0.252 61.471 62.100 -0.628 0.000 1.026 94 T CB 0.185 68.262 68.868 -1.319 0.000 1.032 94 T HN 0.360 nan 8.240 nan 0.000 0.485 95 L N 1.929 123.047 121.223 -0.176 0.000 1.951 95 L HA -0.277 4.065 4.340 0.004 0.000 0.222 95 L C 2.839 179.681 176.870 -0.047 0.000 1.078 95 L CA 2.400 57.276 54.840 0.059 0.000 0.778 95 L CB -0.436 41.803 42.059 0.299 0.000 0.893 95 L HN 0.456 nan 8.230 nan 0.000 0.436 96 Q N -1.196 118.566 119.800 -0.063 0.000 2.187 96 Q HA -0.212 4.130 4.340 0.004 0.000 0.199 96 Q C 1.847 177.774 176.000 -0.121 0.000 0.957 96 Q CA 1.567 57.326 55.803 -0.073 0.000 0.857 96 Q CB -0.683 28.021 28.738 -0.058 0.000 0.929 96 Q HN 0.521 nan 8.270 nan 0.000 0.453 97 N N 0.293 118.884 118.700 -0.182 0.000 2.192 97 N HA -0.158 4.584 4.740 0.004 0.000 0.188 97 N C 1.045 176.446 175.510 -0.182 0.000 1.013 97 N CA 1.839 54.771 53.050 -0.196 0.000 0.863 97 N CB 0.051 38.384 38.487 -0.257 0.000 0.990 97 N HN 0.354 nan 8.380 nan 0.000 0.430 98 T N 1.038 115.459 114.554 -0.221 0.000 2.770 98 T HA 0.028 4.380 4.350 0.004 0.000 0.258 98 T C 2.088 176.720 174.700 -0.114 0.000 1.039 98 T CA 0.936 62.913 62.100 -0.205 0.000 1.143 98 T CB -0.059 68.627 68.868 -0.302 0.000 0.866 98 T HN 0.227 nan 8.240 nan 0.000 0.428 99 M N 1.479 121.033 119.600 -0.077 0.000 2.149 99 M HA -0.096 4.387 4.480 0.004 0.000 0.261 99 M C 2.607 178.867 176.300 -0.066 0.000 1.064 99 M CA 1.325 56.594 55.300 -0.053 0.000 1.102 99 M CB -0.756 31.830 32.600 -0.023 0.000 1.369 99 M HN 0.278 nan 8.290 nan 0.000 0.408 100 V N -1.578 118.301 119.914 -0.059 0.000 2.548 100 V HA -0.132 3.990 4.120 0.004 0.000 0.249 100 V C 1.454 177.509 176.094 -0.065 0.000 1.055 100 V CA 1.948 64.228 62.300 -0.033 0.000 1.065 100 V CB -0.846 30.984 31.823 0.011 0.000 0.681 100 V HN 0.374 nan 8.190 nan 0.000 0.462 101 N N 0.212 118.863 118.700 -0.081 0.000 2.446 101 N HA 0.127 4.869 4.740 0.004 0.000 0.179 101 N C 1.021 176.403 175.510 -0.213 0.000 1.054 101 N CA 0.871 53.837 53.050 -0.139 0.000 0.905 101 N CB 0.082 38.528 38.487 -0.068 0.000 0.973 101 N HN 0.447 nan 8.380 nan 0.000 0.448 102 L N -0.618 120.510 121.223 -0.159 0.000 2.766 102 L HA 0.441 4.783 4.340 0.004 0.000 0.242 102 L C 0.720 177.504 176.870 -0.142 0.000 1.136 102 L CA -0.186 54.571 54.840 -0.139 0.000 0.933 102 L CB -0.338 41.669 42.059 -0.085 0.000 1.241 102 L HN 0.053 nan 8.230 nan 0.000 0.522 103 A N -0.455 122.273 122.820 -0.153 0.000 2.860 103 A HA -0.233 4.089 4.320 0.004 0.000 0.267 103 A C 1.324 178.850 177.584 -0.097 0.000 1.421 103 A CA 1.293 53.255 52.037 -0.124 0.000 0.831 103 A CB -2.139 16.784 19.000 -0.129 0.000 1.041 103 A HN 0.321 nan 8.150 nan 0.000 0.623 104 L N -1.073 120.093 121.223 -0.096 0.000 2.567 104 L HA 0.044 4.387 4.340 0.004 0.000 0.225 104 L C 2.046 178.880 176.870 -0.060 0.000 1.119 104 L CA 0.897 55.679 54.840 -0.097 0.000 0.871 104 L CB -0.185 41.796 42.059 -0.130 0.000 1.036 104 L HN 0.690 nan 8.230 nan 0.000 0.459 105 E N 1.173 121.344 120.200 -0.048 0.000 2.035 105 E HA -0.281 4.071 4.350 0.004 0.000 0.204 105 E C 1.731 178.317 176.600 -0.023 0.000 1.025 105 E CA 1.958 58.342 56.400 -0.028 0.000 0.835 105 E CB 0.141 29.826 29.700 -0.025 0.000 0.764 105 E HN 0.447 nan 8.360 nan 0.000 0.457 106 N N 0.241 118.924 118.700 -0.028 0.000 2.094 106 N HA -0.199 4.543 4.740 0.004 0.000 0.191 106 N C 1.548 177.044 175.510 -0.024 0.000 1.023 106 N CA 1.507 54.541 53.050 -0.027 0.000 0.857 106 N CB -0.537 37.933 38.487 -0.029 0.000 1.013 106 N HN 0.292 nan 8.380 nan 0.000 0.426 107 A N 0.078 122.880 122.820 -0.028 0.000 1.930 107 A HA -0.039 4.283 4.320 0.004 0.000 0.215 107 A C 2.590 180.167 177.584 -0.011 0.000 1.176 107 A CA 0.812 52.835 52.037 -0.024 0.000 0.632 107 A CB -0.777 18.200 19.000 -0.039 0.000 0.819 107 A HN 0.410 nan 8.150 nan 0.000 0.445 108 C N -0.757 118.537 119.300 -0.010 0.000 2.440 108 C HA -0.063 4.400 4.460 0.004 0.000 0.278 108 C C 2.434 177.434 174.990 0.016 0.000 1.295 108 C CA 1.168 60.195 59.018 0.014 0.000 1.738 108 C CB -1.051 26.706 27.740 0.029 0.000 1.987 108 C HN 0.767 nan 8.230 nan 0.000 0.492 109 D N 0.716 121.123 120.400 0.011 0.000 2.106 109 D HA -0.194 4.448 4.640 0.004 0.000 0.191 109 D C 2.062 178.385 176.300 0.037 0.000 0.997 109 D CA 1.901 55.911 54.000 0.017 0.000 0.834 109 D CB -0.181 40.616 40.800 -0.005 0.000 0.956 109 D HN 0.449 nan 8.370 nan 0.000 0.448 110 E N -0.013 120.201 120.200 0.023 0.000 2.038 110 E HA -0.142 4.210 4.350 0.004 0.000 0.195 110 E C 1.920 178.564 176.600 0.074 0.000 1.000 110 E CA 1.617 58.052 56.400 0.059 0.000 0.803 110 E CB -0.714 28.999 29.700 0.021 0.000 0.750 110 E HN 0.298 nan 8.360 nan 0.000 0.448 111 A N -0.158 122.672 122.820 0.015 0.000 1.881 111 A HA -0.316 4.006 4.320 0.004 0.000 0.219 111 A C 2.542 180.056 177.584 -0.116 0.000 1.215 111 A CA 3.519 55.535 52.037 -0.035 0.000 0.648 111 A CB -1.712 17.273 19.000 -0.024 0.000 0.832 111 A HN 0.554 nan 8.150 nan 0.000 0.455 112 T N -3.643 110.845 114.554 -0.110 0.000 2.821 112 T HA -0.202 4.150 4.350 0.004 0.000 0.267 112 T C 1.840 176.453 174.700 -0.145 0.000 1.046 112 T CA 1.546 63.522 62.100 -0.205 0.000 1.139 112 T CB -0.634 68.169 68.868 -0.109 0.000 0.871 112 T HN 0.540 nan 8.240 nan 0.000 0.454 113 Y N 3.331 123.555 120.300 -0.128 0.000 2.165 113 Y HA -0.185 4.367 4.550 0.004 0.000 0.286 113 Y C 2.553 178.389 175.900 -0.106 0.000 1.155 113 Y CA 1.898 59.939 58.100 -0.099 0.000 1.164 113 Y CB -0.523 37.898 38.460 -0.065 0.000 0.978 113 Y HN 0.413 nan 8.280 nan 0.000 0.513 114 Q N -0.248 119.402 119.800 -0.251 0.000 2.444 114 Q HA 0.065 4.407 4.340 0.004 0.000 0.206 114 Q C 1.174 177.003 176.000 -0.284 0.000 0.948 114 Q CA 0.611 56.218 55.803 -0.327 0.000 0.946 114 Q CB -0.134 28.548 28.738 -0.093 0.000 1.027 114 Q HN 0.512 nan 8.270 nan 0.000 0.513 115 L N 0.927 121.969 121.223 -0.302 0.000 2.653 115 L HA 0.291 4.633 4.340 0.004 0.000 0.232 115 L C 0.681 177.353 176.870 -0.329 0.000 1.169 115 L CA 0.157 54.805 54.840 -0.319 0.000 0.951 115 L CB -0.124 41.665 42.059 -0.450 0.000 1.181 115 L HN 0.484 nan 8.230 nan 0.000 0.460 116 G N 0.835 109.433 108.800 -0.335 0.000 2.198 116 G HA2 -0.285 3.678 3.960 0.004 0.000 0.260 116 G HA3 -0.285 3.678 3.960 0.004 0.000 0.260 116 G C -0.110 174.637 174.900 -0.254 0.000 1.025 116 G CA 0.284 45.212 45.100 -0.286 0.000 0.769 116 G HN 0.318 nan 8.290 nan 0.000 0.507 117 L N -0.883 120.182 121.223 -0.263 0.000 2.354 117 L HA 0.676 5.018 4.340 0.004 0.000 0.264 117 L C -0.476 176.342 176.870 -0.086 0.000 1.008 117 L CA -1.106 53.611 54.840 -0.205 0.000 0.819 117 L CB 2.183 44.053 42.059 -0.314 0.000 1.339 117 L HN 0.138 nan 8.230 nan 0.000 0.420 118 D N 1.022 121.408 120.400 -0.023 0.000 2.414 118 D HA 0.267 4.909 4.640 0.004 0.000 0.232 118 D C 0.676 177.005 176.300 0.049 0.000 1.070 118 D CA -0.409 53.611 54.000 0.032 0.000 0.839 118 D CB 1.483 42.307 40.800 0.041 0.000 1.079 118 D HN 0.508 nan 8.370 nan 0.000 0.521 119 M N 2.803 122.436 119.600 0.054 0.000 2.279 119 M HA -0.111 4.371 4.480 0.004 0.000 0.264 119 M C 1.222 177.563 176.300 0.069 0.000 1.062 119 M CA 1.441 56.782 55.300 0.069 0.000 1.099 119 M CB 0.169 32.806 32.600 0.060 0.000 1.394 119 M HN 0.521 nan 8.290 nan 0.000 0.426 120 E N 0.073 120.305 120.200 0.054 0.000 2.077 120 E HA -0.224 4.129 4.350 0.004 0.000 0.193 120 E C 1.789 178.420 176.600 0.051 0.000 0.989 120 E CA 1.514 57.942 56.400 0.046 0.000 0.800 120 E CB -0.193 29.532 29.700 0.041 0.000 0.746 120 E HN 0.672 nan 8.360 nan 0.000 0.452 121 E N 0.946 121.182 120.200 0.060 0.000 2.017 121 E HA -0.180 4.172 4.350 0.004 0.000 0.193 121 E C 2.343 178.985 176.600 0.070 0.000 0.997 121 E CA 0.919 57.357 56.400 0.063 0.000 0.804 121 E CB -0.201 29.542 29.700 0.071 0.000 0.757 121 E HN 0.200 nan 8.360 nan 0.000 0.448 122 L N 0.972 122.261 121.223 0.109 0.000 2.043 122 L HA -0.253 4.089 4.340 0.004 0.000 0.212 122 L C 2.343 179.263 176.870 0.084 0.000 1.075 122 L CA 1.417 56.356 54.840 0.165 0.000 0.752 122 L CB -0.574 41.636 42.059 0.251 0.000 0.891 122 L HN 0.162 nan 8.230 nan 0.000 0.432 123 E N -0.336 119.902 120.200 0.062 0.000 2.150 123 E HA -0.180 4.173 4.350 0.004 0.000 0.193 123 E C 2.071 178.622 176.600 -0.082 0.000 0.985 123 E CA 0.639 57.040 56.400 0.003 0.000 0.814 123 E CB 0.048 29.762 29.700 0.023 0.000 0.752 123 E HN 0.370 nan 8.360 nan 0.000 0.466 124 E N 0.452 120.627 120.200 -0.042 0.000 2.347 124 E HA -0.113 4.239 4.350 0.004 0.000 0.196 124 E C 1.863 178.414 176.600 -0.081 0.000 1.008 124 E CA 0.419 56.797 56.400 -0.037 0.000 0.852 124 E CB 0.108 29.820 29.700 0.019 0.000 0.783 124 E HN 0.315 nan 8.360 nan 0.000 0.505 125 I N 0.881 121.359 120.570 -0.153 0.000 2.546 125 I HA -0.109 4.064 4.170 0.004 0.000 0.255 125 I C 1.342 177.245 176.117 -0.358 0.000 1.163 125 I CA 0.428 61.603 61.300 -0.207 0.000 1.457 125 I CB -0.654 37.241 38.000 -0.175 0.000 1.092 125 I HN 0.111 nan 8.210 nan 0.000 0.434 126 E N 2.442 122.298 120.200 -0.574 0.000 2.392 126 E HA -0.042 4.311 4.350 0.004 0.000 0.264 126 E C -0.152 176.370 176.600 -0.129 0.000 1.024 126 E CA -0.195 55.895 56.400 -0.517 0.000 0.903 126 E CB 0.790 30.222 29.700 -0.448 0.000 0.963 126 E HN 0.100 nan 8.360 nan 0.000 0.432 127 E N 3.065 123.283 120.200 0.029 0.000 2.343 127 E HA 0.100 4.453 4.350 0.004 0.000 0.269 127 E C -0.935 175.721 176.600 0.093 0.000 1.047 127 E CA -0.319 56.158 56.400 0.129 0.000 0.874 127 E CB 0.784 30.666 29.700 0.304 0.000 1.033 127 E HN 0.467 nan 8.360 nan 0.000 0.409 128 D N 0.918 121.332 120.400 0.023 0.000 2.401 128 D HA 0.168 4.810 4.640 0.004 0.000 0.254 128 D C -0.225 175.971 176.300 -0.174 0.000 1.192 128 D CA 0.176 54.132 54.000 -0.073 0.000 0.885 128 D CB 0.497 41.239 40.800 -0.097 0.000 1.147 128 D HN 0.417 nan 8.370 nan 0.000 0.478 129 A N 2.912 125.560 122.820 -0.287 0.000 2.580 129 A HA 0.287 4.609 4.320 0.004 0.000 0.244 129 A C 1.337 178.350 177.584 -0.952 0.000 1.045 129 A CA 0.329 51.885 52.037 -0.801 0.000 0.761 129 A CB 0.054 18.764 19.000 -0.483 0.000 0.962 129 A HN 0.659 nan 8.150 nan 0.000 0.512 130 G N 1.843 109.508 108.800 -1.893 0.000 3.455 130 G HA2 0.377 4.339 3.960 0.004 0.000 0.250 130 G HA3 0.377 4.339 3.960 0.004 0.000 0.250 130 G C 0.384 175.015 174.900 -0.449 0.000 1.071 130 G CA -0.172 44.343 45.100 -0.975 0.000 1.812 130 G HN 0.535 nan 8.290 nan 0.000 0.643 131 L N -0.125 120.915 121.223 -0.305 0.000 2.672 131 L HA 0.383 4.725 4.340 0.004 0.000 0.236 131 L C 1.347 178.212 176.870 -0.009 0.000 1.092 131 L CA 0.320 55.169 54.840 0.015 0.000 0.887 131 L CB 0.082 42.180 42.059 0.064 0.000 1.168 131 L HN 0.282 nan 8.230 nan 0.000 0.502 132 G N -1.527 107.126 108.800 -0.245 0.000 2.798 132 G HA2 0.385 4.348 3.960 0.004 0.000 0.286 132 G HA3 0.385 4.348 3.960 0.004 0.000 0.286 132 G C -0.031 174.255 174.900 -1.023 0.000 1.389 132 G CA -0.103 44.651 45.100 -0.578 0.000 0.894 132 G HN -0.036 nan 8.290 nan 0.000 0.488 133 N N -2.111 116.007 118.700 -0.971 0.000 2.663 133 N HA 0.339 5.082 4.740 0.004 0.000 0.250 133 N C 0.896 176.102 175.510 -0.507 0.000 1.043 133 N CA 1.163 53.797 53.050 -0.694 0.000 0.929 133 N CB 0.908 39.182 38.487 -0.356 0.000 1.665 133 N HN 0.856 nan 8.380 nan 0.000 0.484 134 G N -1.595 107.020 108.800 -0.308 0.000 3.003 134 G HA2 0.393 4.355 3.960 0.004 0.000 0.243 134 G HA3 0.393 4.355 3.960 0.004 0.000 0.243 134 G C 0.620 175.543 174.900 0.039 0.000 1.176 134 G CA -0.029 45.063 45.100 -0.013 0.000 0.812 134 G HN 0.229 nan 8.290 nan 0.000 0.584 135 G N -0.040 108.784 108.800 0.039 0.000 2.513 135 G HA2 -0.172 3.790 3.960 0.004 0.000 0.219 135 G HA3 -0.172 3.790 3.960 0.004 0.000 0.219 135 G C 1.798 176.665 174.900 -0.054 0.000 1.160 135 G CA 1.692 46.798 45.100 0.010 0.000 0.767 135 G HN 0.638 nan 8.290 nan 0.000 0.571 136 L N 1.700 122.852 121.223 -0.120 0.000 2.079 136 L HA 0.100 4.443 4.340 0.004 0.000 0.210 136 L C 2.723 179.501 176.870 -0.153 0.000 1.081 136 L CA 2.456 57.164 54.840 -0.219 0.000 0.752 136 L CB -1.067 40.840 42.059 -0.253 0.000 0.896 136 L HN 0.161 nan 8.230 nan 0.000 0.433 137 G N -1.080 107.651 108.800 -0.116 0.000 2.402 137 G HA2 -0.284 3.678 3.960 0.004 0.000 0.216 137 G HA3 -0.284 3.678 3.960 0.004 0.000 0.216 137 G C 1.730 176.664 174.900 0.058 0.000 1.162 137 G CA 0.671 45.719 45.100 -0.086 0.000 0.777 137 G HN 0.338 nan 8.290 nan 0.000 0.539 138 R N 0.404 120.992 120.500 0.147 0.000 2.075 138 R HA 0.098 4.440 4.340 0.004 0.000 0.232 138 R C 2.374 178.673 176.300 -0.000 0.000 1.126 138 R CA 1.008 57.200 56.100 0.155 0.000 0.963 138 R CB -1.242 29.163 30.300 0.174 0.000 0.858 138 R HN 0.335 nan 8.270 nan 0.000 0.435 139 L N 0.547 121.699 121.223 -0.119 0.000 2.013 139 L HA -0.117 4.225 4.340 0.004 0.000 0.212 139 L C 2.207 178.766 176.870 -0.518 0.000 1.073 139 L CA 2.421 57.038 54.840 -0.371 0.000 0.753 139 L CB -0.934 40.908 42.059 -0.363 0.000 0.890 139 L HN 0.269 nan 8.230 nan 0.000 0.432 140 A N -0.661 122.016 122.820 -0.238 0.000 1.917 140 A HA -0.225 4.097 4.320 0.004 0.000 0.219 140 A C 2.423 180.042 177.584 0.058 0.000 1.182 140 A CA 2.142 54.127 52.037 -0.086 0.000 0.633 140 A CB -1.227 17.694 19.000 -0.132 0.000 0.819 140 A HN 0.605 nan 8.150 nan 0.000 0.448 141 A N -1.410 121.478 122.820 0.112 0.000 1.930 141 A HA -0.107 4.215 4.320 0.004 0.000 0.217 141 A C 2.301 179.934 177.584 0.081 0.000 1.175 141 A CA 1.549 53.678 52.037 0.152 0.000 0.627 141 A CB -1.143 17.943 19.000 0.144 0.000 0.815 141 A HN 0.596 nan 8.150 nan 0.000 0.443 142 C N -1.323 118.009 119.300 0.054 0.000 2.453 142 C HA -0.046 4.416 4.460 0.004 0.000 0.277 142 C C 2.424 177.538 174.990 0.207 0.000 1.262 142 C CA 0.656 59.744 59.018 0.117 0.000 1.718 142 C CB -1.540 26.280 27.740 0.133 0.000 2.031 142 C HN 0.625 nan 8.230 nan 0.000 0.480 143 F N 1.461 121.396 119.950 -0.025 0.000 2.095 143 F HA -0.128 4.402 4.527 0.004 0.000 0.298 143 F C 2.275 178.021 175.800 -0.089 0.000 1.104 143 F CA 1.075 59.013 58.000 -0.104 0.000 1.232 143 F CB -1.656 37.155 39.000 -0.316 0.000 0.987 143 F HN 0.204 nan 8.300 nan 0.000 0.475 144 L N -0.350 120.947 121.223 0.123 0.000 2.043 144 L HA -0.264 4.078 4.340 0.004 0.000 0.212 144 L C 2.388 179.266 176.870 0.013 0.000 1.075 144 L CA 2.028 56.896 54.840 0.047 0.000 0.752 144 L CB -0.876 41.205 42.059 0.036 0.000 0.891 144 L HN 0.197 nan 8.230 nan 0.000 0.432 145 D N -0.214 120.199 120.400 0.022 0.000 2.117 145 D HA -0.163 4.479 4.640 0.004 0.000 0.197 145 D C 2.139 178.454 176.300 0.027 0.000 0.987 145 D CA 1.508 55.508 54.000 -0.001 0.000 0.829 145 D CB 0.348 41.140 40.800 -0.013 0.000 0.961 145 D HN 0.210 nan 8.370 nan 0.000 0.460 146 S N -0.234 115.507 115.700 0.067 0.000 2.355 146 S HA -0.080 4.392 4.470 0.004 0.000 0.222 146 S C 2.147 176.772 174.600 0.042 0.000 1.031 146 S CA 0.960 59.197 58.200 0.063 0.000 0.993 146 S CB -0.102 63.155 63.200 0.095 0.000 0.859 146 S HN 0.329 nan 8.310 nan 0.000 0.453 147 M N 0.953 120.574 119.600 0.036 0.000 2.213 147 M HA -0.069 4.413 4.480 0.004 0.000 0.263 147 M C 2.290 178.600 176.300 0.017 0.000 1.062 147 M CA 1.315 56.632 55.300 0.029 0.000 1.105 147 M CB -0.450 32.152 32.600 0.004 0.000 1.385 147 M HN 0.356 nan 8.290 nan 0.000 0.417 148 A N -0.423 122.397 122.820 0.001 0.000 1.968 148 A HA -0.082 4.240 4.320 0.004 0.000 0.217 148 A C 2.207 179.800 177.584 0.017 0.000 1.169 148 A CA 1.726 53.760 52.037 -0.006 0.000 0.638 148 A CB -0.838 18.134 19.000 -0.045 0.000 0.812 148 A HN 0.389 nan 8.150 nan 0.000 0.446 149 T N -0.062 114.509 114.554 0.029 0.000 2.904 149 T HA 0.089 4.441 4.350 0.004 0.000 0.267 149 T C 1.088 175.816 174.700 0.047 0.000 1.059 149 T CA 0.821 62.951 62.100 0.050 0.000 1.137 149 T CB -0.234 68.669 68.868 0.058 0.000 0.879 149 T HN 0.319 nan 8.240 nan 0.000 0.467 150 L N 0.745 121.993 121.223 0.042 0.000 2.783 150 L HA 0.336 4.679 4.340 0.004 0.000 0.236 150 L C 1.680 178.578 176.870 0.047 0.000 1.225 150 L CA -0.142 54.724 54.840 0.043 0.000 1.026 150 L CB -0.289 41.797 42.059 0.045 0.000 1.314 150 L HN 0.370 nan 8.230 nan 0.000 0.489 151 G N 0.231 109.061 108.800 0.049 0.000 2.205 151 G HA2 -0.316 3.646 3.960 0.004 0.000 0.269 151 G HA3 -0.316 3.646 3.960 0.004 0.000 0.269 151 G C 0.480 175.421 174.900 0.068 0.000 0.977 151 G CA 0.231 45.370 45.100 0.065 0.000 0.652 151 G HN 0.328 nan 8.290 nan 0.000 0.539 152 L N 0.080 121.330 121.223 0.045 0.000 2.483 152 L HA 0.436 4.778 4.340 0.004 0.000 0.275 152 L C 1.261 178.114 176.870 -0.027 0.000 1.220 152 L CA 0.205 55.044 54.840 -0.001 0.000 0.833 152 L CB 0.694 42.761 42.059 0.014 0.000 1.102 152 L HN 0.269 nan 8.230 nan 0.000 0.490 153 A N 2.420 125.139 122.820 -0.169 0.000 2.910 153 A HA 0.641 4.963 4.320 0.004 0.000 0.316 153 A C 0.065 177.524 177.584 -0.209 0.000 1.493 153 A CA -0.259 51.616 52.037 -0.269 0.000 1.150 153 A CB -0.280 18.349 19.000 -0.620 0.000 1.159 153 A HN 0.700 nan 8.150 nan 0.000 0.526 154 A N 1.408 124.105 122.820 -0.206 0.000 2.355 154 A HA 0.827 5.149 4.320 0.004 0.000 0.324 154 A C -1.156 176.226 177.584 -0.335 0.000 1.117 154 A CA -0.454 51.448 52.037 -0.225 0.000 0.785 154 A CB 0.859 19.762 19.000 -0.163 0.000 1.254 154 A HN 0.628 nan 8.150 nan 0.000 0.453 155 Y N 0.116 120.382 120.300 -0.057 0.000 2.425 155 Y HA 0.549 5.101 4.550 0.004 0.000 0.344 155 Y C 0.831 176.841 175.900 0.183 0.000 0.969 155 Y CA -0.505 57.634 58.100 0.066 0.000 1.052 155 Y CB 2.534 41.148 38.460 0.257 0.000 1.215 155 Y HN 0.840 nan 8.280 nan 0.000 0.451 156 G N 2.061 110.953 108.800 0.153 0.000 2.322 156 G HA2 0.462 4.424 3.960 0.004 0.000 0.309 156 G HA3 0.462 4.424 3.960 0.004 0.000 0.309 156 G C -1.817 173.119 174.900 0.060 0.000 1.121 156 G CA -0.274 44.948 45.100 0.202 0.000 0.886 156 G HN 0.510 nan 8.290 nan 0.000 0.447 157 Y N 1.075 121.655 120.300 0.465 0.000 2.350 157 Y HA 0.633 5.185 4.550 0.004 0.000 0.338 157 Y C 0.748 176.993 175.900 0.576 0.000 0.961 157 Y CA 0.090 58.424 58.100 0.390 0.000 1.100 157 Y CB 2.642 41.334 38.460 0.387 0.000 1.179 157 Y HN 0.863 nan 8.280 nan 0.000 0.454 158 G N 2.429 111.582 108.800 0.588 0.000 2.706 158 G HA2 0.567 4.530 3.960 0.004 0.000 0.307 158 G HA3 0.567 4.530 3.960 0.004 0.000 0.307 158 G C -1.668 173.474 174.900 0.404 0.000 1.307 158 G CA -0.900 44.554 45.100 0.590 0.000 0.790 158 G HN 0.451 nan 8.290 nan 0.000 0.503 159 I N 0.537 121.246 120.570 0.232 0.000 2.428 159 I HA 0.395 4.567 4.170 0.004 0.000 0.296 159 I C 0.496 176.487 176.117 -0.210 0.000 0.985 159 I CA -0.655 60.639 61.300 -0.010 0.000 1.260 159 I CB 1.833 39.613 38.000 -0.367 0.000 1.389 159 I HN 0.316 nan 8.210 nan 0.000 0.484 160 R N 6.075 126.530 120.500 -0.075 0.000 2.296 160 R HA 0.232 4.574 4.340 0.004 0.000 0.327 160 R C -1.383 174.878 176.300 -0.065 0.000 1.137 160 R CA -0.474 55.607 56.100 -0.032 0.000 1.020 160 R CB 0.077 30.354 30.300 -0.038 0.000 1.110 160 R HN 0.395 nan 8.270 nan 0.000 0.499 161 Y N 2.378 122.802 120.300 0.207 0.000 2.436 161 Y HA -0.002 4.551 4.550 0.004 0.000 0.336 161 Y C 1.321 177.347 175.900 0.211 0.000 1.049 161 Y CA -0.111 58.096 58.100 0.179 0.000 1.294 161 Y CB 0.957 39.502 38.460 0.143 0.000 1.179 161 Y HN 0.603 nan 8.280 nan 0.000 0.520 162 E N 2.025 122.325 120.200 0.167 0.000 2.072 162 E HA -0.137 4.216 4.350 0.004 0.000 0.191 162 E C 0.316 176.732 176.600 -0.307 0.000 0.985 162 E CA 1.326 57.596 56.400 -0.217 0.000 0.801 162 E CB -0.021 29.385 29.700 -0.491 0.000 0.750 162 E HN 0.654 nan 8.360 nan 0.000 0.452 163 F N -0.427 119.699 119.950 0.293 0.000 2.698 163 F HA 0.329 4.858 4.527 0.004 0.000 0.304 163 F C 1.305 177.249 175.800 0.241 0.000 1.108 163 F CA 0.046 58.206 58.000 0.268 0.000 1.263 163 F CB 0.497 39.590 39.000 0.155 0.000 1.013 163 F HN 0.030 nan 8.300 nan 0.000 0.532 164 G N 1.786 110.804 108.800 0.363 0.000 2.652 164 G HA2 -0.369 3.593 3.960 0.004 0.000 0.318 164 G HA3 -0.369 3.593 3.960 0.004 0.000 0.318 164 G C -0.231 174.642 174.900 -0.046 0.000 1.295 164 G CA 0.371 45.532 45.100 0.102 0.000 0.999 164 G HN 0.347 nan 8.290 nan 0.000 0.548 165 I N 0.897 121.392 120.570 -0.125 0.000 2.465 165 I HA 0.581 4.753 4.170 0.004 0.000 0.291 165 I C 0.877 176.909 176.117 -0.141 0.000 1.014 165 I CA -1.480 59.738 61.300 -0.136 0.000 1.093 165 I CB 1.007 38.847 38.000 -0.267 0.000 1.267 165 I HN 0.817 nan 8.210 nan 0.000 0.431 166 F N 4.940 124.911 119.950 0.035 0.000 2.516 166 F HA -0.116 4.413 4.527 0.004 0.000 0.350 166 F C -0.307 175.547 175.800 0.090 0.000 1.016 166 F CA -0.002 58.042 58.000 0.073 0.000 1.253 166 F CB -0.558 38.481 39.000 0.065 0.000 0.930 166 F HN 0.475 nan 8.300 nan 0.000 0.608 167 N N 2.142 121.002 118.700 0.266 0.000 2.514 167 N HA 0.115 4.857 4.740 0.004 0.000 0.277 167 N C -0.872 174.872 175.510 0.390 0.000 1.126 167 N CA -0.743 52.438 53.050 0.219 0.000 0.978 167 N CB 0.744 39.342 38.487 0.185 0.000 1.106 167 N HN 0.701 nan 8.380 nan 0.000 0.461 168 Q N 2.136 122.136 119.800 0.334 0.000 2.256 168 Q HA 0.264 4.606 4.340 0.004 0.000 0.254 168 Q C -1.221 174.949 176.000 0.283 0.000 0.916 168 Q CA -0.326 55.718 55.803 0.401 0.000 0.932 168 Q CB 0.738 29.727 28.738 0.419 0.000 1.207 168 Q HN 0.332 nan 8.270 nan 0.000 0.426 169 K N 3.856 124.401 120.400 0.242 0.000 2.426 169 K HA 0.405 4.727 4.320 0.004 0.000 0.254 169 K C -1.144 175.559 176.600 0.171 0.000 0.936 169 K CA -0.538 55.861 56.287 0.186 0.000 0.801 169 K CB 1.176 33.760 32.500 0.141 0.000 1.139 169 K HN 0.540 nan 8.250 nan 0.000 0.424 170 I N 4.125 124.799 120.570 0.173 0.000 2.312 170 I HA 0.249 4.421 4.170 0.004 0.000 0.291 170 I C -0.479 175.706 176.117 0.113 0.000 1.031 170 I CA -0.732 60.648 61.300 0.134 0.000 1.293 170 I CB 0.261 38.347 38.000 0.143 0.000 1.403 170 I HN 0.537 nan 8.210 nan 0.000 0.484 171 C N 3.741 123.114 119.300 0.123 0.000 2.364 171 C HA 0.618 5.080 4.460 0.004 0.000 0.324 171 C C 1.101 176.191 174.990 0.166 0.000 1.234 171 C CA -0.693 58.399 59.018 0.125 0.000 1.417 171 C CB 0.720 28.532 27.740 0.120 0.000 2.101 171 C HN 1.096 nan 8.230 nan 0.000 0.466 172 G N 2.112 110.979 108.800 0.112 0.000 2.283 172 G HA2 0.145 4.107 3.960 0.004 0.000 0.280 172 G HA3 0.145 4.107 3.960 0.004 0.000 0.280 172 G C 1.073 175.909 174.900 -0.106 0.000 1.029 172 G CA 0.876 46.031 45.100 0.092 0.000 0.840 172 G HN 2.553 nan 8.290 nan 0.000 0.505 173 G N -2.674 106.049 108.800 -0.127 0.000 2.168 173 G HA2 -0.296 3.666 3.960 0.004 0.000 0.257 173 G HA3 -0.296 3.666 3.960 0.004 0.000 0.257 173 G C 0.303 174.933 174.900 -0.450 0.000 0.997 173 G CA 0.740 45.659 45.100 -0.301 0.000 0.708 173 G HN 1.221 nan 8.290 nan 0.000 0.520 174 W N 0.102 121.369 121.300 -0.056 0.000 2.520 174 W HA 0.612 5.274 4.660 0.004 0.000 0.323 174 W C 0.626 177.104 176.519 -0.067 0.000 1.062 174 W CA -1.114 56.188 57.345 -0.072 0.000 1.215 174 W CB 0.981 30.412 29.460 -0.048 0.000 1.340 174 W HN 0.273 nan 8.180 nan 0.000 0.516 175 Q N 3.744 123.640 119.800 0.161 0.000 2.330 175 Q HA 0.143 4.485 4.340 0.004 0.000 0.279 175 Q C -0.417 175.648 176.000 0.108 0.000 1.024 175 Q CA 0.556 56.427 55.803 0.112 0.000 0.900 175 Q CB 0.506 29.295 28.738 0.086 0.000 1.221 175 Q HN 0.388 nan 8.270 nan 0.000 0.396 176 M N 3.401 123.057 119.600 0.093 0.000 2.530 176 M HA 0.337 4.819 4.480 0.004 0.000 0.307 176 M C -1.032 175.279 176.300 0.018 0.000 1.161 176 M CA -0.870 54.451 55.300 0.034 0.000 0.903 176 M CB 2.090 34.723 32.600 0.054 0.000 1.711 176 M HN 0.672 nan 8.290 nan 0.000 0.451 177 E N 1.678 121.824 120.200 -0.090 0.000 2.151 177 E HA 0.547 4.899 4.350 0.004 0.000 0.275 177 E C -1.147 175.480 176.600 0.045 0.000 0.936 177 E CA -0.433 55.913 56.400 -0.089 0.000 0.777 177 E CB 1.772 31.076 29.700 -0.659 0.000 1.108 177 E HN 0.556 nan 8.360 nan 0.000 0.401 178 E N 0.930 121.229 120.200 0.165 0.000 2.212 178 E HA 0.573 4.925 4.350 0.004 0.000 0.270 178 E C -0.627 176.087 176.600 0.190 0.000 0.956 178 E CA -1.162 55.324 56.400 0.143 0.000 0.825 178 E CB 1.940 31.724 29.700 0.140 0.000 1.167 178 E HN 0.681 nan 8.360 nan 0.000 0.400 179 A N 1.705 124.607 122.820 0.138 0.000 2.445 179 A HA 0.062 4.385 4.320 0.004 0.000 0.242 179 A C -0.205 177.527 177.584 0.247 0.000 1.075 179 A CA -0.039 52.098 52.037 0.167 0.000 0.777 179 A CB 0.260 19.287 19.000 0.045 0.000 1.013 179 A HN 0.552 nan 8.150 nan 0.000 0.493 180 D N 1.433 122.030 120.400 0.328 0.000 2.493 180 D HA 0.271 4.913 4.640 0.004 0.000 0.235 180 D C -1.020 175.565 176.300 0.476 0.000 1.117 180 D CA -0.494 53.713 54.000 0.344 0.000 0.930 180 D CB 0.377 41.342 40.800 0.275 0.000 1.010 180 D HN 0.442 nan 8.370 nan 0.000 0.514 181 D N 3.334 123.982 120.400 0.414 0.000 2.522 181 D HA -0.020 4.622 4.640 0.004 0.000 0.218 181 D C 1.435 177.850 176.300 0.191 0.000 1.149 181 D CA -0.847 53.318 54.000 0.274 0.000 0.981 181 D CB -0.281 40.669 40.800 0.250 0.000 1.041 181 D HN 0.496 nan 8.370 nan 0.000 0.518 182 W N 1.655 122.996 121.300 0.068 0.000 2.699 182 W HA 0.034 4.697 4.660 0.004 0.000 0.249 182 W C 0.054 176.622 176.519 0.081 0.000 1.280 182 W CA -0.253 57.145 57.345 0.088 0.000 1.345 182 W CB -0.686 28.823 29.460 0.081 0.000 1.128 182 W HN 0.194 nan 8.180 nan 0.000 0.642 183 L N 1.015 121.827 121.223 -0.685 0.000 2.592 183 L HA 0.153 4.495 4.340 0.004 0.000 0.227 183 L C 2.723 179.393 176.870 -0.333 0.000 1.127 183 L CA 0.034 54.448 54.840 -0.710 0.000 0.884 183 L CB -0.575 40.914 42.059 -0.949 0.000 1.065 183 L HN -0.107 nan 8.230 nan 0.000 0.457 184 R N 0.295 120.662 120.500 -0.221 0.000 2.103 184 R HA -0.207 4.135 4.340 0.004 0.000 0.242 184 R C 1.160 177.182 176.300 -0.462 0.000 1.142 184 R CA 1.978 57.884 56.100 -0.325 0.000 0.960 184 R CB -0.101 29.977 30.300 -0.370 0.000 0.858 184 R HN 0.295 nan 8.270 nan 0.000 0.439 185 Y N -0.564 119.733 120.300 -0.005 0.000 2.524 185 Y HA 0.385 4.937 4.550 0.004 0.000 0.266 185 Y C 0.660 176.533 175.900 -0.044 0.000 1.180 185 Y CA 0.220 58.289 58.100 -0.050 0.000 1.244 185 Y CB 0.879 39.311 38.460 -0.046 0.000 1.125 185 Y HN 0.336 nan 8.280 nan 0.000 0.524 186 G N 1.438 110.276 108.800 0.064 0.000 2.712 186 G HA2 -0.244 3.719 3.960 0.004 0.000 0.686 186 G HA3 -0.244 3.719 3.960 0.004 0.000 0.686 186 G C -1.142 173.848 174.900 0.150 0.000 1.321 186 G CA -0.848 44.279 45.100 0.045 0.000 0.813 186 G HN 0.278 nan 8.290 nan 0.000 0.599 187 N N 1.416 120.139 118.700 0.038 0.000 2.511 187 N HA 0.574 5.317 4.740 0.004 0.000 0.249 187 N C -0.520 174.991 175.510 0.002 0.000 0.971 187 N CA -2.120 50.967 53.050 0.061 0.000 0.938 187 N CB 1.855 40.346 38.487 0.007 0.000 1.131 187 N HN 0.225 nan 8.380 nan 0.000 0.505 188 P HA -0.013 nan 4.420 nan 0.000 0.226 188 P C 0.683 177.654 177.300 -0.548 0.000 1.153 188 P CA 0.827 63.609 63.100 -0.529 0.000 0.777 188 P CB 0.087 31.158 31.700 -1.048 0.000 0.794 189 W N 1.819 123.089 121.300 -0.049 0.000 2.518 189 W HA 0.015 4.678 4.660 0.004 0.000 0.273 189 W C 1.431 177.949 176.519 -0.002 0.000 1.247 189 W CA -0.252 57.061 57.345 -0.054 0.000 1.288 189 W CB -0.137 29.297 29.460 -0.042 0.000 1.107 189 W HN 0.032 nan 8.180 nan 0.000 0.586 190 E N 1.055 121.404 120.200 0.248 0.000 2.280 190 E HA 0.360 4.713 4.350 0.004 0.000 0.261 190 E C -0.313 176.438 176.600 0.251 0.000 1.088 190 E CA -0.729 55.828 56.400 0.261 0.000 0.915 190 E CB 1.118 30.999 29.700 0.301 0.000 1.141 190 E HN -0.367 nan 8.360 nan 0.000 0.433 191 K N 0.840 121.403 120.400 0.272 0.000 2.613 191 K HA 0.337 4.659 4.320 0.004 0.000 0.248 191 K C -1.173 175.443 176.600 0.027 0.000 0.959 191 K CA -0.674 55.718 56.287 0.176 0.000 0.855 191 K CB 1.641 34.264 32.500 0.205 0.000 1.143 191 K HN 0.722 nan 8.250 nan 0.000 0.437 192 A N 4.202 126.947 122.820 -0.126 0.000 2.584 192 A HA 0.032 4.355 4.320 0.004 0.000 0.239 192 A C 0.154 177.579 177.584 -0.265 0.000 1.043 192 A CA 0.491 52.224 52.037 -0.507 0.000 0.756 192 A CB 0.113 18.910 19.000 -0.338 0.000 0.963 192 A HN 0.520 nan 8.150 nan 0.000 0.511 193 R N 3.825 124.160 120.500 -0.275 0.000 2.868 193 R HA 0.207 4.549 4.340 0.004 0.000 0.289 193 R C -2.280 173.960 176.300 -0.100 0.000 1.443 193 R CA -1.880 54.169 56.100 -0.085 0.000 1.651 193 R CB 0.541 30.929 30.300 0.146 0.000 1.242 193 R HN 0.574 nan 8.270 nan 0.000 0.621 194 P HA -0.136 nan 4.420 nan 0.000 0.221 194 P C 0.182 177.416 177.300 -0.111 0.000 1.145 194 P CA 1.107 64.150 63.100 -0.095 0.000 0.795 194 P CB 0.510 32.157 31.700 -0.088 0.000 0.775 195 E N -1.038 119.005 120.200 -0.261 0.000 2.347 195 E HA -0.061 4.291 4.350 0.004 0.000 0.196 195 E C 0.718 177.079 176.600 -0.398 0.000 1.008 195 E CA 0.796 56.951 56.400 -0.409 0.000 0.852 195 E CB -0.759 28.537 29.700 -0.674 0.000 0.783 195 E HN 0.333 nan 8.360 nan 0.000 0.505 196 F N 0.660 120.635 119.950 0.043 0.000 2.684 196 F HA 0.231 4.760 4.527 0.004 0.000 0.298 196 F C 0.225 176.119 175.800 0.156 0.000 1.120 196 F CA -0.646 57.409 58.000 0.092 0.000 1.332 196 F CB -0.286 38.771 39.000 0.095 0.000 0.986 196 F HN -0.306 nan 8.300 nan 0.000 0.524 197 T N 3.083 117.778 114.554 0.234 0.000 2.934 197 T HA 0.301 4.653 4.350 0.004 0.000 0.306 197 T C 0.088 174.894 174.700 0.177 0.000 1.042 197 T CA 0.441 62.671 62.100 0.217 0.000 1.145 197 T CB 0.459 69.406 68.868 0.133 0.000 0.982 197 T HN 0.032 nan 8.240 nan 0.000 0.544 198 L N 5.323 126.625 121.223 0.131 0.000 2.362 198 L HA 0.488 4.830 4.340 0.004 0.000 0.271 198 L C -2.363 174.478 176.870 -0.049 0.000 1.002 198 L CA -2.650 52.197 54.840 0.011 0.000 0.818 198 L CB 2.092 44.089 42.059 -0.103 0.000 1.298 198 L HN 0.380 nan 8.230 nan 0.000 0.420 199 P HA 0.263 nan 4.420 nan 0.000 0.279 199 P C -1.083 176.083 177.300 -0.222 0.000 1.239 199 P CA -0.357 62.658 63.100 -0.142 0.000 0.789 199 P CB 1.365 32.975 31.700 -0.150 0.000 0.933 200 V N 3.624 123.366 119.914 -0.286 0.000 2.588 200 V HA 0.315 4.437 4.120 0.004 0.000 0.304 200 V C -0.062 175.745 176.094 -0.479 0.000 1.042 200 V CA -0.603 61.512 62.300 -0.308 0.000 0.877 200 V CB 1.435 33.112 31.823 -0.244 0.000 0.996 200 V HN 0.594 nan 8.190 nan 0.000 0.425 201 H N 3.900 122.785 119.070 -0.309 0.000 2.463 201 H HA 0.607 5.165 4.556 0.004 0.000 0.332 201 H C -1.386 173.630 175.328 -0.519 0.000 1.127 201 H CA -0.190 55.575 56.048 -0.472 0.000 1.238 201 H CB 1.909 31.177 29.762 -0.824 0.000 1.478 201 H HN 0.432 nan 8.280 nan 0.000 0.499 202 F N 0.714 120.688 119.950 0.040 0.000 2.599 202 F HA 0.217 4.746 4.527 0.004 0.000 0.311 202 F C -0.048 175.876 175.800 0.207 0.000 1.076 202 F CA -0.749 57.309 58.000 0.098 0.000 0.937 202 F CB 0.745 39.819 39.000 0.123 0.000 1.282 202 F HN 0.624 nan 8.300 nan 0.000 0.460 203 Y N 0.294 120.849 120.300 0.425 0.000 2.896 203 Y HA -0.047 4.505 4.550 0.004 0.000 0.466 203 Y C 1.522 177.638 175.900 0.359 0.000 1.197 203 Y CA 0.903 59.184 58.100 0.301 0.000 2.513 203 Y CB -1.837 36.729 38.460 0.178 0.000 1.232 203 Y HN 1.239 nan 8.280 nan 0.000 0.632 204 G N 0.794 109.841 108.800 0.411 0.000 2.598 204 G HA2 0.054 4.016 3.960 0.004 0.000 0.244 204 G HA3 0.054 4.016 3.960 0.004 0.000 0.244 204 G C -0.485 174.610 174.900 0.325 0.000 1.302 204 G CA 1.009 46.278 45.100 0.281 0.000 0.903 204 G HN 1.337 nan 8.290 nan 0.000 0.575 205 R N -2.696 117.993 120.500 0.315 0.000 2.781 205 R HA 0.701 5.043 4.340 0.004 0.000 0.268 205 R C -1.608 174.814 176.300 0.203 0.000 1.047 205 R CA -0.753 55.480 56.100 0.223 0.000 0.925 205 R CB 1.174 31.553 30.300 0.131 0.000 1.246 205 R HN 0.990 nan 8.270 nan 0.000 0.456 206 V N 1.193 121.140 119.914 0.054 0.000 2.357 206 V HA 0.325 4.447 4.120 0.004 0.000 0.284 206 V C -0.339 175.693 176.094 -0.103 0.000 1.018 206 V CA -0.619 61.642 62.300 -0.065 0.000 0.841 206 V CB 1.365 33.062 31.823 -0.211 0.000 0.991 206 V HN 0.624 nan 8.190 nan 0.000 0.437 207 E N 3.752 123.898 120.200 -0.090 0.000 2.115 207 E HA 0.319 4.671 4.350 0.004 0.000 0.282 207 E C -0.787 175.741 176.600 -0.121 0.000 0.987 207 E CA -0.634 55.728 56.400 -0.062 0.000 0.797 207 E CB 0.849 30.547 29.700 -0.003 0.000 1.086 207 E HN 0.600 nan 8.360 nan 0.000 0.397 208 H N 2.741 121.823 119.070 0.020 0.000 2.820 208 H HA 0.084 4.642 4.556 0.004 0.000 0.278 208 H C 0.360 175.695 175.328 0.011 0.000 1.142 208 H CA -0.094 55.961 56.048 0.011 0.000 1.346 208 H CB 0.358 30.123 29.762 0.005 0.000 1.438 208 H HN 0.485 nan 8.280 nan 0.000 0.473 209 T N -0.616 114.009 114.554 0.118 0.000 2.902 209 T HA 0.114 4.466 4.350 0.004 0.000 0.280 209 T C 1.778 176.522 174.700 0.072 0.000 0.992 209 T CA -0.216 61.929 62.100 0.076 0.000 1.015 209 T CB 1.451 70.347 68.868 0.047 0.000 1.044 209 T HN 0.467 nan 8.240 nan 0.000 0.520 210 S N 1.137 116.864 115.700 0.046 0.000 2.365 210 S HA -0.297 4.175 4.470 0.004 0.000 0.225 210 S C 1.991 176.611 174.600 0.034 0.000 1.039 210 S CA 1.711 59.931 58.200 0.033 0.000 1.033 210 S CB -0.975 62.238 63.200 0.022 0.000 0.887 210 S HN 0.923 nan 8.310 nan 0.000 0.447 211 Q N 1.433 121.254 119.800 0.034 0.000 2.172 211 Q HA 0.315 4.657 4.340 0.004 0.000 0.200 211 Q C 1.027 177.051 176.000 0.040 0.000 0.964 211 Q CA 1.013 56.835 55.803 0.031 0.000 0.855 211 Q CB -0.336 28.417 28.738 0.025 0.000 0.918 211 Q HN 0.663 nan 8.270 nan 0.000 0.444 212 G N -0.169 108.664 108.800 0.054 0.000 2.451 212 G HA2 0.484 4.447 3.960 0.004 0.000 0.292 212 G HA3 0.484 4.447 3.960 0.004 0.000 0.292 212 G C -1.818 173.131 174.900 0.082 0.000 1.427 212 G CA -0.521 44.619 45.100 0.068 0.000 0.792 212 G HN 0.359 nan 8.290 nan 0.000 0.498 213 A N 0.191 123.058 122.820 0.079 0.000 2.340 213 A HA 0.747 5.069 4.320 0.004 0.000 0.268 213 A C 0.148 177.708 177.584 -0.040 0.000 1.100 213 A CA -0.142 51.883 52.037 -0.020 0.000 0.803 213 A CB 0.770 19.709 19.000 -0.102 0.000 1.043 213 A HN 0.454 nan 8.150 nan 0.000 0.488 214 K N 0.599 120.963 120.400 -0.059 0.000 2.259 214 K HA 0.250 4.573 4.320 0.004 0.000 0.249 214 K C -1.779 174.864 176.600 0.071 0.000 0.942 214 K CA -0.353 55.937 56.287 0.005 0.000 0.816 214 K CB 1.954 34.459 32.500 0.009 0.000 1.155 214 K HN 0.766 nan 8.250 nan 0.000 0.428 215 W N 5.021 126.242 121.300 -0.133 0.000 2.322 215 W HA 0.317 4.979 4.660 0.004 0.000 0.321 215 W C -0.796 175.663 176.519 -0.101 0.000 0.991 215 W CA -0.883 56.384 57.345 -0.129 0.000 1.448 215 W CB -0.128 29.234 29.460 -0.164 0.000 1.239 215 W HN 0.200 nan 8.180 nan 0.000 0.399 216 V N 1.938 121.911 119.914 0.098 0.000 3.103 216 V HA 0.596 4.719 4.120 0.004 0.000 0.318 216 V C 0.041 176.129 176.094 -0.011 0.000 1.114 216 V CA -0.978 61.312 62.300 -0.017 0.000 1.020 216 V CB 1.839 33.671 31.823 0.014 0.000 1.085 216 V HN 0.351 nan 8.190 nan 0.000 0.446 217 D N 0.141 120.530 120.400 -0.018 0.000 2.800 217 D HA -0.133 4.509 4.640 0.004 0.000 0.232 217 D C 0.505 176.812 176.300 0.011 0.000 1.137 217 D CA 1.498 55.504 54.000 0.011 0.000 0.718 217 D CB -1.334 39.491 40.800 0.043 0.000 1.084 217 D HN 1.242 nan 8.370 nan 0.000 0.432 218 T N -2.879 111.643 114.554 -0.053 0.000 2.918 218 T HA 0.468 4.821 4.350 0.004 0.000 0.283 218 T C 0.350 175.075 174.700 0.041 0.000 1.001 218 T CA -0.848 61.224 62.100 -0.046 0.000 1.041 218 T CB 2.503 71.187 68.868 -0.308 0.000 1.028 218 T HN 0.204 nan 8.240 nan 0.000 0.511 219 Q N 0.820 120.704 119.800 0.139 0.000 2.299 219 Q HA 0.537 4.879 4.340 0.004 0.000 0.246 219 Q C -1.428 174.618 176.000 0.076 0.000 0.935 219 Q CA -0.770 55.118 55.803 0.141 0.000 0.887 219 Q CB 0.932 29.815 28.738 0.242 0.000 1.223 219 Q HN 0.608 nan 8.270 nan 0.000 0.439 220 V N 4.374 124.287 119.914 -0.002 0.000 2.495 220 V HA 0.458 4.580 4.120 0.004 0.000 0.298 220 V C -0.624 175.475 176.094 0.007 0.000 1.031 220 V CA -0.722 61.491 62.300 -0.145 0.000 0.871 220 V CB 1.824 33.502 31.823 -0.242 0.000 0.988 220 V HN 0.691 nan 8.190 nan 0.000 0.432 221 V N 5.645 125.584 119.914 0.042 0.000 2.628 221 V HA 0.519 4.641 4.120 0.004 0.000 0.306 221 V C -0.231 175.932 176.094 0.115 0.000 1.045 221 V CA -0.760 61.625 62.300 0.142 0.000 0.905 221 V CB 1.930 33.935 31.823 0.303 0.000 0.997 221 V HN 0.633 nan 8.190 nan 0.000 0.436 222 L N 3.452 124.760 121.223 0.141 0.000 2.292 222 L HA 0.704 5.046 4.340 0.004 0.000 0.284 222 L C 0.480 177.524 176.870 0.291 0.000 1.065 222 L CA -0.343 54.588 54.840 0.150 0.000 0.806 222 L CB 1.315 43.447 42.059 0.121 0.000 1.175 222 L HN 0.777 nan 8.230 nan 0.000 0.431 223 A N 5.417 128.388 122.820 0.253 0.000 2.280 223 A HA 0.549 4.871 4.320 0.004 0.000 0.320 223 A C -0.335 177.532 177.584 0.471 0.000 1.366 223 A CA -0.462 51.788 52.037 0.356 0.000 0.938 223 A CB 0.563 19.414 19.000 -0.249 0.000 1.157 223 A HN 0.793 nan 8.150 nan 0.000 0.536 224 M N 6.511 126.422 119.600 0.520 0.000 2.080 224 M HA 0.403 4.886 4.480 0.004 0.000 0.350 224 M C -2.472 174.092 176.300 0.439 0.000 1.173 224 M CA -1.985 53.570 55.300 0.425 0.000 1.052 224 M CB 1.449 34.216 32.600 0.278 0.000 1.577 224 M HN 0.328 nan 8.290 nan 0.000 0.455 225 P HA 0.132 nan 4.420 nan 0.000 0.275 225 P C -1.839 175.409 177.300 -0.087 0.000 1.228 225 P CA 0.220 63.215 63.100 -0.176 0.000 0.786 225 P CB 0.339 31.735 31.700 -0.507 0.000 0.927 226 Y N 0.502 120.726 120.300 -0.126 0.000 2.350 226 Y HA 0.266 4.819 4.550 0.004 0.000 0.338 226 Y C 0.452 176.330 175.900 -0.036 0.000 0.961 226 Y CA -0.543 57.543 58.100 -0.023 0.000 1.100 226 Y CB 1.586 40.058 38.460 0.021 0.000 1.179 226 Y HN 0.220 nan 8.280 nan 0.000 0.454 227 D N 2.511 123.017 120.400 0.176 0.000 2.232 227 D HA 0.313 4.955 4.640 0.004 0.000 0.242 227 D C -0.714 175.753 176.300 0.279 0.000 1.093 227 D CA -0.154 53.993 54.000 0.245 0.000 0.845 227 D CB 1.686 42.720 40.800 0.390 0.000 1.124 227 D HN 0.419 nan 8.370 nan 0.000 0.467 228 T N 2.482 117.088 114.554 0.087 0.000 2.812 228 T HA 0.470 4.822 4.350 0.004 0.000 0.282 228 T C -2.561 171.895 174.700 -0.407 0.000 0.990 228 T CA -1.685 60.357 62.100 -0.096 0.000 0.960 228 T CB 2.142 70.977 68.868 -0.054 0.000 0.948 228 T HN 0.121 nan 8.240 nan 0.000 0.438 229 P HA 0.306 nan 4.420 nan 0.000 0.279 229 P C -0.689 176.248 177.300 -0.604 0.000 1.239 229 P CA -0.533 61.880 63.100 -1.146 0.000 0.789 229 P CB 1.132 31.876 31.700 -1.593 0.000 0.933 230 V N 4.077 123.704 119.914 -0.478 0.000 2.325 230 V HA 0.427 4.550 4.120 0.004 0.000 0.280 230 V C -2.609 173.330 176.094 -0.258 0.000 1.016 230 V CA -2.829 59.279 62.300 -0.320 0.000 0.818 230 V CB 1.471 33.151 31.823 -0.239 0.000 1.019 230 V HN 0.405 nan 8.190 nan 0.000 0.434 231 P HA 0.313 nan 4.420 nan 0.000 0.279 231 P C 0.375 177.612 177.300 -0.105 0.000 1.239 231 P CA 0.372 63.369 63.100 -0.171 0.000 0.789 231 P CB 1.422 33.021 31.700 -0.169 0.000 0.933 232 G N 1.836 110.593 108.800 -0.073 0.000 2.539 232 G HA2 0.118 4.080 3.960 0.004 0.000 0.258 232 G HA3 0.118 4.080 3.960 0.004 0.000 0.258 232 G C -1.050 173.853 174.900 0.005 0.000 1.202 232 G CA -0.427 44.663 45.100 -0.018 0.000 0.851 232 G HN 0.464 nan 8.290 nan 0.000 0.556 233 Y N 0.931 121.189 120.300 -0.070 0.000 2.730 233 Y HA 0.180 4.732 4.550 0.004 0.000 0.354 233 Y C 1.471 177.333 175.900 -0.063 0.000 1.139 233 Y CA 0.081 58.137 58.100 -0.073 0.000 1.516 233 Y CB 0.003 38.419 38.460 -0.073 0.000 1.204 233 Y HN 0.784 nan 8.280 nan 0.000 0.520 234 R N 1.992 122.213 120.500 -0.465 0.000 4.000 234 R HA -0.339 4.003 4.340 0.004 0.000 0.348 234 R C 0.731 176.914 176.300 -0.195 0.000 1.204 234 R CA 1.709 57.560 56.100 -0.416 0.000 0.987 234 R CB -1.890 28.014 30.300 -0.660 0.000 1.446 234 R HN 0.932 nan 8.270 nan 0.000 0.555 235 N N -1.223 117.408 118.700 -0.116 0.000 2.220 235 N HA 0.017 4.760 4.740 0.004 0.000 0.195 235 N C -0.106 175.367 175.510 -0.061 0.000 1.123 235 N CA 0.056 53.069 53.050 -0.063 0.000 0.874 235 N CB 0.422 38.897 38.487 -0.020 0.000 0.995 235 N HN 0.097 nan 8.380 nan 0.000 0.498 236 N N 0.064 118.722 118.700 -0.071 0.000 2.800 236 N HA -0.150 4.592 4.740 0.004 0.000 0.250 236 N C -0.564 174.911 175.510 -0.058 0.000 1.078 236 N CA 1.074 54.088 53.050 -0.060 0.000 0.804 236 N CB -1.752 36.704 38.487 -0.052 0.000 1.135 236 N HN 0.490 nan 8.380 nan 0.000 0.565 237 V N -1.648 118.234 119.914 -0.054 0.000 2.364 237 V HA 0.656 4.779 4.120 0.004 0.000 0.272 237 V C 0.219 176.267 176.094 -0.077 0.000 1.036 237 V CA -0.586 61.681 62.300 -0.054 0.000 0.880 237 V CB 1.684 33.508 31.823 0.001 0.000 0.991 237 V HN -0.045 nan 8.190 nan 0.000 0.460 238 V N 7.051 126.909 119.914 -0.093 0.000 2.326 238 V HA 0.492 4.614 4.120 0.004 0.000 0.281 238 V C 0.172 176.188 176.094 -0.131 0.000 1.015 238 V CA -0.526 61.692 62.300 -0.136 0.000 0.823 238 V CB 0.901 32.644 31.823 -0.134 0.000 1.009 238 V HN 0.977 nan 8.190 nan 0.000 0.436 239 N N 2.293 120.884 118.700 -0.182 0.000 2.418 239 N HA 0.485 5.227 4.740 0.004 0.000 0.283 239 N C 0.030 175.435 175.510 -0.175 0.000 1.267 239 N CA -0.272 52.666 53.050 -0.186 0.000 0.975 239 N CB 0.785 39.158 38.487 -0.191 0.000 1.167 239 N HN 0.558 nan 8.380 nan 0.000 0.581 240 T N 0.799 115.252 114.554 -0.168 0.000 2.807 240 T HA 0.396 4.748 4.350 0.004 0.000 0.279 240 T C -0.269 174.356 174.700 -0.126 0.000 0.993 240 T CA -0.465 61.626 62.100 -0.016 0.000 0.970 240 T CB 0.892 69.894 68.868 0.223 0.000 0.950 240 T HN 0.266 nan 8.240 nan 0.000 0.441 241 M N 3.706 123.199 119.600 -0.178 0.000 2.101 241 M HA 0.565 5.048 4.480 0.004 0.000 0.340 241 M C -0.599 175.545 176.300 -0.260 0.000 1.057 241 M CA -0.794 54.328 55.300 -0.296 0.000 0.984 241 M CB 0.630 32.991 32.600 -0.399 0.000 1.560 241 M HN 0.425 nan 8.290 nan 0.000 0.435 242 R N 4.440 124.692 120.500 -0.413 0.000 2.343 242 R HA 0.618 4.960 4.340 0.004 0.000 0.320 242 R C -2.115 173.881 176.300 -0.507 0.000 0.956 242 R CA -0.401 55.406 56.100 -0.488 0.000 0.836 242 R CB 0.960 30.797 30.300 -0.773 0.000 1.151 242 R HN 0.626 nan 8.270 nan 0.000 0.450 243 L N 5.227 126.243 121.223 -0.346 0.000 2.341 243 L HA 0.521 4.864 4.340 0.004 0.000 0.278 243 L C -1.100 175.676 176.870 -0.156 0.000 1.005 243 L CA -0.687 54.044 54.840 -0.182 0.000 0.818 243 L CB 1.298 43.347 42.059 -0.017 0.000 1.259 243 L HN 0.640 nan 8.230 nan 0.000 0.418 244 W N 2.095 123.520 121.300 0.209 0.000 2.365 244 W HA 0.600 5.262 4.660 0.004 0.000 0.316 244 W C 0.518 177.250 176.519 0.355 0.000 1.164 244 W CA -0.357 57.140 57.345 0.252 0.000 1.204 244 W CB 1.440 30.936 29.460 0.059 0.000 1.213 244 W HN 0.453 nan 8.180 nan 0.000 0.539 245 S N 2.325 118.405 115.700 0.633 0.000 2.478 245 S HA 0.745 5.218 4.470 0.004 0.000 0.312 245 S C -0.449 174.443 174.600 0.488 0.000 1.094 245 S CA -0.704 57.766 58.200 0.450 0.000 1.081 245 S CB 0.442 63.876 63.200 0.390 0.000 1.007 245 S HN 0.539 nan 8.310 nan 0.000 0.475 246 A N 5.379 128.368 122.820 0.281 0.000 2.362 246 A HA 0.690 5.013 4.320 0.004 0.000 0.276 246 A C -0.351 177.317 177.584 0.141 0.000 1.153 246 A CA -0.419 51.703 52.037 0.141 0.000 0.813 246 A CB 0.275 19.079 19.000 -0.328 0.000 1.081 246 A HN 0.662 nan 8.150 nan 0.000 0.507 247 K N 1.180 121.684 120.400 0.175 0.000 2.318 247 K HA 0.716 5.039 4.320 0.004 0.000 0.249 247 K C -0.344 176.320 176.600 0.107 0.000 0.942 247 K CA -0.549 55.817 56.287 0.132 0.000 0.808 247 K CB 1.959 34.546 32.500 0.144 0.000 1.189 247 K HN 0.713 nan 8.250 nan 0.000 0.428 248 A N 2.902 125.769 122.820 0.079 0.000 2.327 248 A HA 0.587 4.909 4.320 0.004 0.000 0.283 248 A C -2.174 175.444 177.584 0.056 0.000 1.127 248 A CA -1.296 50.777 52.037 0.061 0.000 0.810 248 A CB -0.300 18.722 19.000 0.037 0.000 1.066 248 A HN 0.397 nan 8.150 nan 0.000 0.492 249 P HA 0.103 nan 4.420 nan 0.000 0.269 249 P C -0.744 176.576 177.300 0.033 0.000 1.209 249 P CA 0.031 63.158 63.100 0.045 0.000 0.776 249 P CB 0.266 31.984 31.700 0.030 0.000 0.876 250 N N 1.311 120.059 118.700 0.079 0.000 2.521 250 N HA 0.179 4.921 4.740 0.004 0.000 0.236 250 N C -0.877 174.675 175.510 0.069 0.000 1.067 250 N CA -0.261 52.852 53.050 0.105 0.000 0.939 250 N CB -0.039 38.665 38.487 0.362 0.000 1.201 250 N HN 0.371 nan 8.380 nan 0.000 0.511 251 D N 1.481 121.762 120.400 -0.198 0.000 2.256 251 D HA 0.435 5.077 4.640 0.004 0.000 0.250 251 D C -0.632 175.357 176.300 -0.519 0.000 1.093 251 D CA 0.267 54.155 54.000 -0.187 0.000 0.882 251 D CB 0.854 41.564 40.800 -0.150 0.000 1.185 251 D HN 0.218 nan 8.370 nan 0.000 0.437 260 G N 0.871 109.658 108.800 -0.020 0.000 3.858 260 G HA2 0.551 4.513 3.960 0.004 0.000 0.114 260 G HA3 0.551 4.513 3.960 0.004 0.000 0.114 260 G C 0.979 175.904 174.900 0.042 0.000 1.120 260 G CA 0.940 46.045 45.100 0.008 0.000 1.226 260 G HN 2.077 nan 8.290 nan 0.000 0.471 261 G N 0.082 108.918 108.800 0.060 0.000 3.911 261 G HA2 -0.032 3.931 3.960 0.004 0.000 0.245 261 G HA3 -0.032 3.931 3.960 0.004 0.000 0.245 261 G C 0.443 175.491 174.900 0.247 0.000 0.892 261 G CA 2.024 47.188 45.100 0.107 0.000 0.727 261 G HN 1.161 nan 8.290 nan 0.000 1.411 262 Y N -2.432 117.857 120.300 -0.018 0.000 2.741 262 Y HA 0.332 4.885 4.550 0.004 0.000 0.339 262 Y C 0.175 176.058 175.900 -0.027 0.000 1.226 262 Y CA -0.560 57.528 58.100 -0.020 0.000 1.072 262 Y CB 0.878 39.328 38.460 -0.018 0.000 1.331 262 Y HN 0.448 nan 8.280 nan 0.000 0.453 263 I N 0.814 121.279 120.570 -0.175 0.000 3.832 263 I HA 0.118 4.291 4.170 0.004 0.000 0.324 263 I C 1.026 177.161 176.117 0.030 0.000 1.447 263 I CA -0.036 61.197 61.300 -0.112 0.000 1.242 263 I CB 0.116 37.983 38.000 -0.223 0.000 1.212 263 I HN 0.597 nan 8.210 nan 0.000 0.415 264 Q N 1.342 121.203 119.800 0.101 0.000 2.500 264 Q HA -0.053 4.289 4.340 0.004 0.000 0.213 264 Q C 1.695 177.701 176.000 0.010 0.000 0.974 264 Q CA 1.198 57.036 55.803 0.058 0.000 0.918 264 Q CB -0.197 28.573 28.738 0.053 0.000 0.980 264 Q HN 0.703 nan 8.270 nan 0.000 0.505 265 A N 1.052 123.867 122.820 -0.009 0.000 2.121 265 A HA -0.005 4.318 4.320 0.004 0.000 0.218 265 A C 2.213 179.774 177.584 -0.038 0.000 1.154 265 A CA 0.830 52.848 52.037 -0.032 0.000 0.679 265 A CB -0.371 18.597 19.000 -0.054 0.000 0.795 265 A HN 0.220 nan 8.150 nan 0.000 0.458 266 V N -0.574 119.320 119.914 -0.034 0.000 2.626 266 V HA -0.195 3.927 4.120 0.004 0.000 0.252 266 V C 2.395 178.482 176.094 -0.011 0.000 1.067 266 V CA 1.652 63.935 62.300 -0.030 0.000 1.081 266 V CB -0.576 31.230 31.823 -0.028 0.000 0.686 266 V HN 0.520 nan 8.190 nan 0.000 0.468 267 L N -0.025 121.195 121.223 -0.004 0.000 2.109 267 L HA -0.079 4.263 4.340 0.004 0.000 0.207 267 L C 1.795 178.664 176.870 -0.002 0.000 1.086 267 L CA 1.588 56.428 54.840 -0.000 0.000 0.760 267 L CB -0.566 41.493 42.059 0.000 0.000 0.910 267 L HN 0.323 nan 8.230 nan 0.000 0.437 268 D N -1.046 119.350 120.400 -0.008 0.000 2.336 268 D HA -0.017 4.625 4.640 0.004 0.000 0.229 268 D C 2.017 178.322 176.300 0.008 0.000 1.061 268 D CA 0.225 54.225 54.000 0.000 0.000 0.875 268 D CB 0.035 40.832 40.800 -0.005 0.000 0.904 268 D HN 0.218 nan 8.370 nan 0.000 0.525 269 R N 0.384 120.883 120.500 -0.000 0.000 2.075 269 R HA 0.030 4.373 4.340 0.004 0.000 0.220 269 R C 1.863 178.173 176.300 0.017 0.000 1.118 269 R CA 0.363 56.465 56.100 0.004 0.000 0.986 269 R CB -0.403 29.890 30.300 -0.011 0.000 0.884 269 R HN 0.238 nan 8.270 nan 0.000 0.439 270 N N 1.337 120.046 118.700 0.015 0.000 2.173 270 N HA -0.075 4.667 4.740 0.004 0.000 0.184 270 N C 2.016 177.541 175.510 0.025 0.000 1.025 270 N CA 0.741 53.805 53.050 0.024 0.000 0.852 270 N CB 0.127 38.626 38.487 0.021 0.000 0.998 270 N HN 0.079 nan 8.380 nan 0.000 0.427 271 L N 1.230 122.463 121.223 0.016 0.000 2.042 271 L HA -0.157 4.186 4.340 0.004 0.000 0.210 271 L C 2.842 179.710 176.870 -0.003 0.000 1.076 271 L CA 1.452 56.297 54.840 0.008 0.000 0.749 271 L CB -0.666 41.394 42.059 0.002 0.000 0.893 271 L HN 0.203 nan 8.230 nan 0.000 0.432 272 A N -0.151 122.675 122.820 0.011 0.000 1.892 272 A HA -0.268 4.054 4.320 0.004 0.000 0.218 272 A C 2.198 179.777 177.584 -0.008 0.000 1.188 272 A CA 2.107 54.155 52.037 0.018 0.000 0.631 272 A CB -0.502 18.528 19.000 0.050 0.000 0.822 272 A HN 0.478 nan 8.150 nan 0.000 0.447 273 E N -0.278 119.932 120.200 0.016 0.000 2.230 273 E HA -0.087 4.265 4.350 0.004 0.000 0.192 273 E C 1.105 177.729 176.600 0.039 0.000 0.987 273 E CA 0.744 57.161 56.400 0.027 0.000 0.841 273 E CB -0.169 29.564 29.700 0.055 0.000 0.783 273 E HN 0.933 nan 8.360 nan 0.000 0.481 274 N N 0.617 119.346 118.700 0.048 0.000 2.434 274 N HA 0.018 4.761 4.740 0.004 0.000 0.196 274 N C 1.432 176.990 175.510 0.080 0.000 1.183 274 N CA -0.010 53.091 53.050 0.085 0.000 0.849 274 N CB 0.102 38.650 38.487 0.103 0.000 0.992 274 N HN 0.139 nan 8.380 nan 0.000 0.460 275 I N 0.060 120.628 120.570 -0.004 0.000 2.493 275 I HA -0.173 3.999 4.170 0.004 0.000 0.254 275 I C 2.013 178.120 176.117 -0.017 0.000 1.160 275 I CA 1.037 62.300 61.300 -0.061 0.000 1.445 275 I CB 0.069 37.878 38.000 -0.318 0.000 1.086 275 I HN 0.218 nan 8.210 nan 0.000 0.433 276 S N -0.717 114.985 115.700 0.005 0.000 2.578 276 S HA 0.192 4.664 4.470 0.004 0.000 0.228 276 S C 1.794 176.489 174.600 0.159 0.000 1.022 276 S CA -0.350 57.874 58.200 0.041 0.000 0.967 276 S CB 0.128 63.335 63.200 0.012 0.000 0.914 276 S HN 0.215 nan 8.310 nan 0.000 0.515 277 R N 0.170 120.791 120.500 0.202 0.000 2.057 277 R HA 0.173 4.516 4.340 0.004 0.000 0.229 277 R C -0.143 176.378 176.300 0.369 0.000 1.136 277 R CA 1.054 57.344 56.100 0.316 0.000 0.952 277 R CB 0.171 30.652 30.300 0.301 0.000 0.848 277 R HN 0.208 nan 8.270 nan 0.000 0.430 278 V N 0.587 120.647 119.914 0.244 0.000 2.971 278 V HA 0.233 4.355 4.120 0.004 0.000 0.309 278 V C -0.278 175.683 176.094 -0.222 0.000 1.130 278 V CA -0.768 61.561 62.300 0.048 0.000 0.964 278 V CB 2.496 34.281 31.823 -0.064 0.000 1.029 278 V HN 0.098 nan 8.190 nan 0.000 0.427 279 L N 2.679 123.588 121.223 -0.523 0.000 2.475 279 L HA 0.409 4.751 4.340 0.004 0.000 0.250 279 L C -1.120 175.359 176.870 -0.653 0.000 1.224 279 L CA 0.101 54.495 54.840 -0.743 0.000 0.821 279 L CB 0.631 42.201 42.059 -0.815 0.000 1.141 279 L HN 0.565 nan 8.230 nan 0.000 0.494 280 Y N -0.474 119.764 120.300 -0.103 0.000 2.581 280 Y HA 0.495 5.047 4.550 0.004 0.000 0.345 280 Y C -1.841 174.045 175.900 -0.024 0.000 1.036 280 Y CA -1.935 56.157 58.100 -0.013 0.000 1.042 280 Y CB 0.735 39.217 38.460 0.036 0.000 1.289 280 Y HN 0.424 nan 8.280 nan 0.000 0.471 288 G N 1.312 110.115 108.800 0.005 0.000 4.160 288 G HA2 0.371 4.334 3.960 0.004 0.000 0.341 288 G HA3 0.371 4.334 3.960 0.004 0.000 0.341 288 G C -0.673 174.310 174.900 0.138 0.000 1.510 288 G CA -0.831 44.280 45.100 0.017 0.000 1.011 288 G HN 0.071 nan 8.290 nan 0.000 0.491 289 K N 0.879 121.325 120.400 0.077 0.000 2.527 289 K HA -0.025 4.297 4.320 0.004 0.000 0.278 289 K C 1.332 178.013 176.600 0.135 0.000 0.981 289 K CA -0.146 56.175 56.287 0.058 0.000 1.009 289 K CB 1.341 33.789 32.500 -0.087 0.000 0.895 289 K HN 0.691 nan 8.250 nan 0.000 0.493 290 E N 1.918 122.156 120.200 0.062 0.000 2.130 290 E HA -0.238 4.114 4.350 0.004 0.000 0.196 290 E C 1.597 178.155 176.600 -0.069 0.000 0.998 290 E CA 1.056 57.442 56.400 -0.022 0.000 0.806 290 E CB 0.129 29.822 29.700 -0.011 0.000 0.738 290 E HN 0.441 nan 8.360 nan 0.000 0.459 291 L N 1.256 122.468 121.223 -0.018 0.000 2.046 291 L HA -0.171 4.171 4.340 0.004 0.000 0.208 291 L C 2.324 179.231 176.870 0.061 0.000 1.077 291 L CA 1.579 56.425 54.840 0.010 0.000 0.747 291 L CB -0.344 41.759 42.059 0.074 0.000 0.896 291 L HN -0.007 nan 8.230 nan 0.000 0.432 292 R N -0.481 120.071 120.500 0.086 0.000 2.096 292 R HA -0.206 4.136 4.340 0.004 0.000 0.240 292 R C 2.220 178.584 176.300 0.108 0.000 1.139 292 R CA 1.930 58.148 56.100 0.198 0.000 0.952 292 R CB -1.313 29.182 30.300 0.325 0.000 0.854 292 R HN 0.378 nan 8.270 nan 0.000 0.436 293 L N 1.755 122.862 121.223 -0.194 0.000 2.046 293 L HA -0.148 4.194 4.340 0.004 0.000 0.208 293 L C 2.004 178.770 176.870 -0.175 0.000 1.077 293 L CA 1.842 56.352 54.840 -0.550 0.000 0.747 293 L CB -0.392 41.041 42.059 -1.045 0.000 0.896 293 L HN 0.018 nan 8.230 nan 0.000 0.432 294 K N -0.972 119.363 120.400 -0.108 0.000 2.103 294 K HA -0.218 4.105 4.320 0.004 0.000 0.207 294 K C 2.115 178.872 176.600 0.262 0.000 1.048 294 K CA 1.798 58.096 56.287 0.018 0.000 0.930 294 K CB -0.208 32.123 32.500 -0.281 0.000 0.716 294 K HN 0.519 nan 8.250 nan 0.000 0.444 295 Q N 0.598 120.517 119.800 0.198 0.000 2.084 295 Q HA -0.193 4.149 4.340 0.004 0.000 0.202 295 Q C 1.963 178.157 176.000 0.324 0.000 0.978 295 Q CA 1.474 57.449 55.803 0.287 0.000 0.844 295 Q CB 0.003 28.918 28.738 0.295 0.000 0.898 295 Q HN 0.404 nan 8.270 nan 0.000 0.426 296 E N -0.242 120.106 120.200 0.246 0.000 2.051 296 E HA -0.211 4.141 4.350 0.004 0.000 0.192 296 E C 1.751 178.461 176.600 0.183 0.000 0.991 296 E CA 1.085 57.614 56.400 0.216 0.000 0.799 296 E CB -0.173 29.640 29.700 0.189 0.000 0.748 296 E HN 0.330 nan 8.360 nan 0.000 0.449 297 Y N 0.501 120.851 120.300 0.082 0.000 2.242 297 Y HA -0.224 4.328 4.550 0.004 0.000 0.291 297 Y C 1.946 177.887 175.900 0.067 0.000 1.137 297 Y CA 1.280 59.398 58.100 0.029 0.000 1.181 297 Y CB -0.372 38.099 38.460 0.018 0.000 0.989 297 Y HN 0.043 nan 8.280 nan 0.000 0.527 298 F N -0.571 119.361 119.950 -0.029 0.000 2.095 298 F HA -0.252 4.277 4.527 0.004 0.000 0.298 298 F C 2.408 178.053 175.800 -0.259 0.000 1.104 298 F CA 2.076 59.998 58.000 -0.130 0.000 1.232 298 F CB -0.794 38.294 39.000 0.147 0.000 0.987 298 F HN -0.051 nan 8.300 nan 0.000 0.475 299 V N -0.416 119.423 119.914 -0.127 0.000 2.379 299 V HA -0.189 3.933 4.120 0.004 0.000 0.245 299 V C 2.170 178.095 176.094 -0.283 0.000 1.044 299 V CA 1.780 63.982 62.300 -0.164 0.000 1.036 299 V CB -0.211 31.734 31.823 0.202 0.000 0.664 299 V HN 0.290 nan 8.190 nan 0.000 0.453 300 V N 0.492 120.260 119.914 -0.244 0.000 2.295 300 V HA -0.229 3.893 4.120 0.004 0.000 0.246 300 V C 2.775 178.601 176.094 -0.445 0.000 1.049 300 V CA 2.295 64.436 62.300 -0.266 0.000 1.024 300 V CB -1.088 30.635 31.823 -0.167 0.000 0.648 300 V HN 0.642 nan 8.190 nan 0.000 0.447 301 A N -0.289 122.101 122.820 -0.717 0.000 1.873 301 A HA -0.032 4.290 4.320 0.004 0.000 0.215 301 A C 2.385 179.577 177.584 -0.654 0.000 1.186 301 A CA 1.858 53.460 52.037 -0.724 0.000 0.616 301 A CB -0.799 17.534 19.000 -1.112 0.000 0.823 301 A HN 0.564 nan 8.150 nan 0.000 0.442 302 A N -1.142 121.114 122.820 -0.941 0.000 1.969 302 A HA -0.040 4.283 4.320 0.004 0.000 0.218 302 A C 2.257 179.233 177.584 -1.013 0.000 1.169 302 A CA 2.205 53.487 52.037 -1.258 0.000 0.635 302 A CB -1.008 16.667 19.000 -2.209 0.000 0.810 302 A HN 0.427 nan 8.150 nan 0.000 0.445 303 T N 0.043 114.173 114.554 -0.707 0.000 2.770 303 T HA -0.037 4.315 4.350 0.004 0.000 0.263 303 T C 1.646 176.064 174.700 -0.469 0.000 1.039 303 T CA 1.296 63.117 62.100 -0.464 0.000 1.142 303 T CB -0.277 68.336 68.868 -0.425 0.000 0.868 303 T HN 0.218 nan 8.240 nan 0.000 0.435 304 L N 1.486 122.485 121.223 -0.374 0.000 2.191 304 L HA -0.038 4.305 4.340 0.004 0.000 0.212 304 L C 2.479 179.238 176.870 -0.184 0.000 1.103 304 L CA 1.534 56.219 54.840 -0.258 0.000 0.769 304 L CB -0.819 41.134 42.059 -0.176 0.000 0.908 304 L HN 0.333 nan 8.230 nan 0.000 0.438 305 Q N -1.372 118.308 119.800 -0.201 0.000 2.187 305 Q HA -0.169 4.173 4.340 0.004 0.000 0.199 305 Q C 1.587 177.553 176.000 -0.056 0.000 0.957 305 Q CA 1.150 56.888 55.803 -0.109 0.000 0.857 305 Q CB -0.034 28.626 28.738 -0.129 0.000 0.929 305 Q HN 0.397 nan 8.270 nan 0.000 0.453 306 D N 0.711 121.068 120.400 -0.073 0.000 2.183 306 D HA -0.055 4.588 4.640 0.004 0.000 0.203 306 D C 1.595 177.855 176.300 -0.066 0.000 0.969 306 D CA 0.694 54.713 54.000 0.031 0.000 0.842 306 D CB 0.127 41.087 40.800 0.267 0.000 0.957 306 D HN 0.137 nan 8.370 nan 0.000 0.484 307 I N 0.213 120.652 120.570 -0.218 0.000 2.094 307 I HA -0.224 3.948 4.170 0.004 0.000 0.234 307 I C 2.360 178.508 176.117 0.050 0.000 1.063 307 I CA 0.609 61.743 61.300 -0.277 0.000 1.328 307 I CB -0.259 37.456 38.000 -0.474 0.000 1.058 307 I HN 0.015 nan 8.210 nan 0.000 0.400 308 I N 0.368 121.026 120.570 0.147 0.000 2.121 308 I HA -0.442 3.730 4.170 0.004 0.000 0.243 308 I C 2.816 179.083 176.117 0.250 0.000 1.047 308 I CA 1.661 63.136 61.300 0.291 0.000 1.308 308 I CB -0.742 37.380 38.000 0.203 0.000 1.015 308 I HN 0.344 nan 8.210 nan 0.000 0.410 309 R N 1.007 121.588 120.500 0.136 0.000 2.122 309 R HA -0.257 4.086 4.340 0.004 0.000 0.236 309 R C 2.497 178.863 176.300 0.109 0.000 1.129 309 R CA 2.305 58.467 56.100 0.104 0.000 0.925 309 R CB -0.436 29.907 30.300 0.071 0.000 0.850 309 R HN 0.272 nan 8.270 nan 0.000 0.431 310 R N -0.491 120.070 120.500 0.101 0.000 2.170 310 R HA -0.180 4.162 4.340 0.004 0.000 0.242 310 R C 1.770 178.160 176.300 0.151 0.000 1.145 310 R CA 1.540 57.709 56.100 0.114 0.000 0.984 310 R CB -0.354 29.984 30.300 0.063 0.000 0.869 310 R HN 0.265 nan 8.270 nan 0.000 0.455 311 F N 0.738 120.715 119.950 0.045 0.000 2.754 311 F HA 0.107 4.636 4.527 0.004 0.000 0.303 311 F C 0.047 175.856 175.800 0.015 0.000 1.196 311 F CA 0.714 58.737 58.000 0.038 0.000 1.416 311 F CB 0.245 39.324 39.000 0.131 0.000 1.092 311 F HN -0.152 nan 8.300 nan 0.000 0.541 312 K N -0.052 120.268 120.400 -0.133 0.000 2.665 312 K HA 0.187 4.509 4.320 0.004 0.000 0.194 312 K C -0.170 176.389 176.600 -0.069 0.000 1.135 312 K CA 0.143 56.314 56.287 -0.193 0.000 1.089 312 K CB 0.571 33.013 32.500 -0.095 0.000 0.817 312 K HN 0.230 nan 8.250 nan 0.000 0.506 325 N N 0.331 119.064 118.700 0.054 0.000 2.459 325 N HA 0.441 5.184 4.740 0.004 0.000 0.288 325 N C -0.621 174.989 175.510 0.167 0.000 1.186 325 N CA -1.036 52.117 53.050 0.172 0.000 0.917 325 N CB 1.606 40.186 38.487 0.156 0.000 1.219 325 N HN 0.560 nan 8.380 nan 0.000 0.525 326 F N -0.332 119.701 119.950 0.138 0.000 2.660 326 F HA 0.188 4.717 4.527 0.004 0.000 0.297 326 F C 1.236 177.091 175.800 0.093 0.000 1.132 326 F CA -0.526 57.526 58.000 0.085 0.000 1.372 326 F CB 0.113 39.030 39.000 -0.138 0.000 1.003 326 F HN 0.403 nan 8.300 nan 0.000 0.524 327 D N 1.108 121.645 120.400 0.229 0.000 2.117 327 D HA -0.068 4.574 4.640 0.004 0.000 0.198 327 D C 1.590 177.977 176.300 0.146 0.000 0.982 327 D CA 0.834 54.928 54.000 0.157 0.000 0.828 327 D CB -0.032 40.839 40.800 0.119 0.000 0.967 327 D HN 0.163 nan 8.370 nan 0.000 0.464 328 A N -0.375 122.545 122.820 0.166 0.000 3.091 328 A HA 0.240 4.562 4.320 0.004 0.000 0.264 328 A C 0.263 177.913 177.584 0.110 0.000 1.673 328 A CA -0.205 51.915 52.037 0.139 0.000 1.362 328 A CB -0.835 18.264 19.000 0.165 0.000 1.137 328 A HN 0.079 nan 8.150 nan 0.000 0.617 329 F N 1.319 121.199 119.950 -0.117 0.000 2.531 329 F HA 0.235 4.764 4.527 0.004 0.000 0.273 329 F C -1.257 174.460 175.800 -0.138 0.000 0.960 329 F CA 0.060 57.909 58.000 -0.253 0.000 1.207 329 F CB 0.527 39.391 39.000 -0.226 0.000 1.012 329 F HN 0.284 nan 8.300 nan 0.000 0.738 330 P HA -0.018 nan 4.420 nan 0.000 0.234 330 P C 0.168 177.429 177.300 -0.063 0.000 1.167 330 P CA 1.321 64.411 63.100 -0.016 0.000 0.763 330 P CB 0.025 31.727 31.700 0.003 0.000 0.835 331 D N -1.163 119.195 120.400 -0.069 0.000 2.367 331 D HA 0.032 4.675 4.640 0.004 0.000 0.207 331 D C 1.296 177.540 176.300 -0.093 0.000 1.034 331 D CA 0.591 54.556 54.000 -0.058 0.000 0.861 331 D CB 0.287 41.073 40.800 -0.023 0.000 0.943 331 D HN 0.048 nan 8.370 nan 0.000 0.515 332 K N -0.155 120.136 120.400 -0.181 0.000 2.477 332 K HA 0.293 4.615 4.320 0.004 0.000 0.208 332 K C -0.869 175.545 176.600 -0.310 0.000 1.117 332 K CA -0.095 56.075 56.287 -0.195 0.000 1.039 332 K CB 1.674 34.110 32.500 -0.106 0.000 0.937 332 K HN -0.179 nan 8.250 nan 0.000 0.570 333 V N 0.092 119.777 119.914 -0.381 0.000 2.969 333 V HA 0.776 4.899 4.120 0.004 0.000 0.304 333 V C -1.809 174.174 176.094 -0.186 0.000 1.192 333 V CA -0.905 61.172 62.300 -0.372 0.000 0.962 333 V CB 2.098 33.388 31.823 -0.889 0.000 1.045 333 V HN 0.064 nan 8.190 nan 0.000 0.428 334 A N 5.812 128.583 122.820 -0.082 0.000 2.408 334 A HA 0.893 5.215 4.320 0.004 0.000 0.295 334 A C -1.275 176.339 177.584 0.050 0.000 1.040 334 A CA -0.382 51.641 52.037 -0.024 0.000 0.707 334 A CB 1.252 20.165 19.000 -0.146 0.000 1.235 334 A HN 0.707 nan 8.150 nan 0.000 0.418 335 I N 2.512 123.151 120.570 0.116 0.000 2.382 335 I HA 0.261 4.433 4.170 0.004 0.000 0.285 335 I C -0.410 175.807 176.117 0.168 0.000 1.007 335 I CA -0.549 60.834 61.300 0.139 0.000 1.142 335 I CB 1.764 39.822 38.000 0.097 0.000 1.289 335 I HN 0.541 nan 8.210 nan 0.000 0.453 336 Q N 5.724 125.634 119.800 0.183 0.000 2.331 336 Q HA 0.409 4.752 4.340 0.004 0.000 0.257 336 Q C -0.957 175.072 176.000 0.049 0.000 0.957 336 Q CA -0.905 55.025 55.803 0.212 0.000 0.923 336 Q CB 1.973 30.923 28.738 0.352 0.000 1.212 336 Q HN 0.425 nan 8.270 nan 0.000 0.443 337 L N 3.544 124.830 121.223 0.106 0.000 2.265 337 L HA 0.232 4.575 4.340 0.004 0.000 0.288 337 L C 0.216 177.154 176.870 0.113 0.000 1.058 337 L CA -0.123 54.778 54.840 0.102 0.000 0.809 337 L CB 0.568 42.728 42.059 0.168 0.000 1.179 337 L HN 0.358 nan 8.230 nan 0.000 0.429 338 N N 3.925 122.636 118.700 0.019 0.000 2.558 338 N HA 0.238 4.981 4.740 0.004 0.000 0.233 338 N C -0.518 175.094 175.510 0.170 0.000 1.038 338 N CA 0.180 53.283 53.050 0.089 0.000 0.934 338 N CB 0.100 38.535 38.487 -0.087 0.000 1.175 338 N HN 0.541 nan 8.380 nan 0.000 0.512 339 D N -0.597 119.964 120.400 0.269 0.000 6.122 339 D HA -0.211 4.432 4.640 0.004 0.000 0.318 339 D C 0.404 176.789 176.300 0.142 0.000 2.527 339 D CA 1.273 55.386 54.000 0.187 0.000 1.441 339 D CB -0.226 40.501 40.800 -0.121 0.000 1.140 339 D HN 0.500 nan 8.370 nan 0.000 1.272 340 T N -2.228 112.286 114.554 -0.067 0.000 3.113 340 T HA 0.002 4.355 4.350 0.004 0.000 0.256 340 T C 1.585 176.274 174.700 -0.019 0.000 1.131 340 T CA 1.679 63.732 62.100 -0.078 0.000 1.074 340 T CB -0.446 68.374 68.868 -0.080 0.000 0.944 340 T HN 0.488 nan 8.240 nan 0.000 0.516 341 H N 2.674 121.843 119.070 0.165 0.000 2.387 341 H HA 0.009 4.567 4.556 0.004 0.000 0.299 341 H C -0.934 174.488 175.328 0.156 0.000 1.099 341 H CA 1.165 57.322 56.048 0.182 0.000 1.315 341 H CB -1.099 28.766 29.762 0.172 0.000 1.380 341 H HN 0.446 nan 8.280 nan 0.000 0.513 342 P HA 0.088 nan 4.420 nan 0.000 0.254 342 P C 0.606 177.948 177.300 0.070 0.000 1.620 342 P CA 0.308 63.487 63.100 0.131 0.000 1.050 342 P CB 0.337 32.104 31.700 0.112 0.000 1.539 343 S N -0.445 115.290 115.700 0.059 0.000 2.442 343 S HA -0.112 4.360 4.470 0.004 0.000 0.236 343 S C 1.712 176.317 174.600 0.009 0.000 1.007 343 S CA 0.769 58.967 58.200 -0.004 0.000 0.965 343 S CB -1.422 61.756 63.200 -0.036 0.000 0.773 343 S HN 0.148 nan 8.310 nan 0.000 0.504 344 L N 1.058 122.299 121.223 0.030 0.000 2.456 344 L HA 0.028 4.371 4.340 0.004 0.000 0.224 344 L C 2.945 179.832 176.870 0.028 0.000 1.148 344 L CA 0.662 55.510 54.840 0.014 0.000 0.825 344 L CB -0.729 41.328 42.059 -0.003 0.000 0.937 344 L HN 0.462 nan 8.230 nan 0.000 0.450 345 A N 0.593 123.422 122.820 0.014 0.000 1.940 345 A HA -0.221 4.101 4.320 0.004 0.000 0.219 345 A C 2.178 179.770 177.584 0.013 0.000 1.176 345 A CA 1.653 53.690 52.037 0.000 0.000 0.631 345 A CB -0.528 18.465 19.000 -0.012 0.000 0.814 345 A HN 0.361 nan 8.150 nan 0.000 0.446 346 I N 0.274 120.854 120.570 0.016 0.000 2.090 346 I HA -0.161 4.011 4.170 0.004 0.000 0.236 346 I C -0.406 175.754 176.117 0.072 0.000 1.064 346 I CA 1.724 63.041 61.300 0.028 0.000 1.324 346 I CB -0.966 37.050 38.000 0.027 0.000 1.044 346 I HN 0.244 nan 8.210 nan 0.000 0.399 347 P HA -0.169 nan 4.420 nan 0.000 0.223 347 P C 1.245 178.652 177.300 0.178 0.000 1.151 347 P CA 1.447 64.629 63.100 0.137 0.000 0.787 347 P CB 0.012 31.806 31.700 0.157 0.000 0.788 348 E N 0.036 120.355 120.200 0.198 0.000 2.107 348 E HA -0.123 4.229 4.350 0.004 0.000 0.191 348 E C 1.882 178.523 176.600 0.069 0.000 0.982 348 E CA 0.487 57.035 56.400 0.247 0.000 0.809 348 E CB -1.134 28.709 29.700 0.238 0.000 0.756 348 E HN -0.035 nan 8.360 nan 0.000 0.459 349 L N 0.122 121.349 121.223 0.008 0.000 2.046 349 L HA -0.089 4.253 4.340 0.004 0.000 0.208 349 L C 2.015 178.816 176.870 -0.116 0.000 1.077 349 L CA 1.730 56.532 54.840 -0.062 0.000 0.747 349 L CB -0.508 41.517 42.059 -0.057 0.000 0.896 349 L HN 0.260 nan 8.230 nan 0.000 0.432 350 M N -1.065 118.478 119.600 -0.096 0.000 2.229 350 M HA -0.168 4.314 4.480 0.004 0.000 0.264 350 M C 2.366 178.569 176.300 -0.161 0.000 1.063 350 M CA 1.298 56.496 55.300 -0.171 0.000 1.114 350 M CB -1.155 31.345 32.600 -0.167 0.000 1.387 350 M HN 0.332 nan 8.290 nan 0.000 0.420 351 R N 0.075 120.506 120.500 -0.115 0.000 2.066 351 R HA -0.084 4.259 4.340 0.004 0.000 0.232 351 R C 2.006 178.239 176.300 -0.112 0.000 1.131 351 R CA 1.306 57.326 56.100 -0.134 0.000 0.955 351 R CB -0.025 30.162 30.300 -0.189 0.000 0.851 351 R HN 0.200 nan 8.270 nan 0.000 0.432 352 V N 1.384 121.237 119.914 -0.102 0.000 2.515 352 V HA -0.214 3.908 4.120 0.004 0.000 0.250 352 V C 2.277 178.249 176.094 -0.205 0.000 1.058 352 V CA 1.461 63.691 62.300 -0.117 0.000 1.064 352 V CB -0.338 31.425 31.823 -0.099 0.000 0.675 352 V HN 0.322 nan 8.190 nan 0.000 0.461 353 L N -0.890 120.171 121.223 -0.270 0.000 2.162 353 L HA -0.037 4.305 4.340 0.004 0.000 0.205 353 L C 2.316 179.023 176.870 -0.272 0.000 1.086 353 L CA 0.729 55.337 54.840 -0.386 0.000 0.778 353 L CB -0.371 41.423 42.059 -0.441 0.000 0.928 353 L HN 0.177 nan 8.230 nan 0.000 0.446 354 V N -0.616 119.183 119.914 -0.192 0.000 2.300 354 V HA -0.157 3.965 4.120 0.004 0.000 0.241 354 V C 1.981 178.033 176.094 -0.070 0.000 1.034 354 V CA 1.556 63.791 62.300 -0.108 0.000 1.021 354 V CB -0.375 31.415 31.823 -0.054 0.000 0.662 354 V HN 0.314 nan 8.190 nan 0.000 0.458 355 D N 0.255 120.614 120.400 -0.068 0.000 2.084 355 D HA -0.098 4.544 4.640 0.004 0.000 0.196 355 D C 1.853 178.126 176.300 -0.045 0.000 0.985 355 D CA 1.239 55.213 54.000 -0.043 0.000 0.826 355 D CB -0.153 40.618 40.800 -0.047 0.000 0.978 355 D HN 0.204 nan 8.370 nan 0.000 0.456 356 L N 0.376 121.560 121.223 -0.066 0.000 2.354 356 L HA 0.080 4.423 4.340 0.004 0.000 0.212 356 L C 1.661 178.491 176.870 -0.065 0.000 1.091 356 L CA 1.089 55.898 54.840 -0.052 0.000 0.828 356 L CB -0.030 42.003 42.059 -0.042 0.000 0.973 356 L HN -0.108 nan 8.230 nan 0.000 0.461 357 E N -0.610 119.514 120.200 -0.127 0.000 2.526 357 E HA 0.149 4.501 4.350 0.004 0.000 0.208 357 E C 0.273 176.795 176.600 -0.129 0.000 0.997 357 E CA -0.109 56.196 56.400 -0.159 0.000 0.961 357 E CB 0.579 30.046 29.700 -0.388 0.000 1.030 357 E HN 0.085 nan 8.360 nan 0.000 0.483 358 R N 0.009 120.450 120.500 -0.098 0.000 3.951 358 R HA -0.147 4.196 4.340 0.004 0.000 0.352 358 R C 0.028 176.296 176.300 -0.053 0.000 1.178 358 R CA 0.324 56.393 56.100 -0.052 0.000 0.949 358 R CB -1.642 28.646 30.300 -0.019 0.000 1.452 358 R HN 0.072 nan 8.270 nan 0.000 0.540 359 L N 2.047 123.207 121.223 -0.106 0.000 2.452 359 L HA 0.103 4.445 4.340 0.004 0.000 0.267 359 L C 1.165 178.019 176.870 -0.028 0.000 1.188 359 L CA 0.312 55.103 54.840 -0.080 0.000 0.821 359 L CB 0.138 42.103 42.059 -0.156 0.000 1.102 359 L HN 0.218 nan 8.230 nan 0.000 0.470 360 D N 0.222 120.634 120.400 0.020 0.000 2.357 360 D HA -0.121 4.521 4.640 0.004 0.000 0.242 360 D C 0.911 177.285 176.300 0.123 0.000 1.153 360 D CA -0.424 53.625 54.000 0.083 0.000 0.918 360 D CB 0.647 41.502 40.800 0.092 0.000 1.181 360 D HN 0.560 nan 8.370 nan 0.000 0.435 361 W N 0.653 121.960 121.300 0.011 0.000 2.325 361 W HA -0.186 4.476 4.660 0.004 0.000 0.299 361 W C 1.423 177.998 176.519 0.093 0.000 1.215 361 W CA 1.718 59.080 57.345 0.028 0.000 1.244 361 W CB 0.088 29.539 29.460 -0.015 0.000 1.140 361 W HN 0.424 nan 8.180 nan 0.000 0.523 362 D N -0.484 120.130 120.400 0.356 0.000 2.097 362 D HA -0.173 4.469 4.640 0.004 0.000 0.197 362 D C 1.879 178.296 176.300 0.196 0.000 0.984 362 D CA 1.450 55.634 54.000 0.308 0.000 0.826 362 D CB -0.486 40.450 40.800 0.226 0.000 0.973 362 D HN 0.030 nan 8.370 nan 0.000 0.460 363 K N 0.448 120.915 120.400 0.111 0.000 2.097 363 K HA 0.033 4.356 4.320 0.004 0.000 0.205 363 K C 1.832 178.428 176.600 -0.007 0.000 1.050 363 K CA 1.061 57.380 56.287 0.053 0.000 0.938 363 K CB -0.154 32.367 32.500 0.035 0.000 0.718 363 K HN 0.050 nan 8.250 nan 0.000 0.442 364 A N 0.264 123.047 122.820 -0.062 0.000 1.898 364 A HA -0.169 4.153 4.320 0.004 0.000 0.216 364 A C 2.087 179.590 177.584 -0.136 0.000 1.181 364 A CA 1.194 53.130 52.037 -0.168 0.000 0.620 364 A CB -1.032 17.807 19.000 -0.269 0.000 0.819 364 A HN 0.660 nan 8.150 nan 0.000 0.442 365 W N 0.778 121.866 121.300 -0.354 0.000 2.355 365 W HA -0.205 4.457 4.660 0.004 0.000 0.309 365 W C 2.049 178.505 176.519 -0.105 0.000 1.206 365 W CA 1.945 59.104 57.345 -0.311 0.000 1.284 365 W CB -0.165 29.155 29.460 -0.233 0.000 1.145 365 W HN 0.606 nan 8.180 nan 0.000 0.502 366 E N 0.128 120.324 120.200 -0.007 0.000 2.070 366 E HA -0.257 4.095 4.350 0.004 0.000 0.197 366 E C 2.000 178.533 176.600 -0.111 0.000 1.004 366 E CA 2.328 58.686 56.400 -0.070 0.000 0.805 366 E CB -0.422 29.297 29.700 0.032 0.000 0.744 366 E HN 0.077 nan 8.360 nan 0.000 0.451 367 V N 0.840 120.713 119.914 -0.067 0.000 2.287 367 V HA -0.300 3.822 4.120 0.004 0.000 0.248 367 V C 2.432 178.486 176.094 -0.066 0.000 1.053 367 V CA 2.268 64.552 62.300 -0.026 0.000 1.027 367 V CB -0.920 30.894 31.823 -0.014 0.000 0.646 367 V HN 0.400 nan 8.190 nan 0.000 0.447 368 T N 0.477 114.926 114.554 -0.176 0.000 2.643 368 T HA -0.163 4.189 4.350 0.004 0.000 0.264 368 T C 1.897 176.422 174.700 -0.290 0.000 1.045 368 T CA 1.916 63.882 62.100 -0.224 0.000 1.155 368 T CB -0.355 68.339 68.868 -0.291 0.000 0.863 368 T HN 0.344 nan 8.240 nan 0.000 0.420 369 V N 1.349 120.941 119.914 -0.537 0.000 2.720 369 V HA -0.108 4.014 4.120 0.004 0.000 0.256 369 V C 2.136 178.165 176.094 -0.107 0.000 1.082 369 V CA 1.432 63.453 62.300 -0.464 0.000 1.101 369 V CB -0.664 30.760 31.823 -0.665 0.000 0.693 369 V HN 0.441 nan 8.190 nan 0.000 0.479 370 K N -0.680 119.675 120.400 -0.076 0.000 2.352 370 K HA 0.061 4.383 4.320 0.004 0.000 0.194 370 K C 2.160 178.820 176.600 0.099 0.000 1.038 370 K CA 0.655 56.945 56.287 0.004 0.000 1.023 370 K CB 0.110 32.557 32.500 -0.088 0.000 0.840 370 K HN 0.350 nan 8.250 nan 0.000 0.519 371 T N 0.618 115.219 114.554 0.079 0.000 2.985 371 T HA -0.007 4.345 4.350 0.004 0.000 0.266 371 T C 0.736 175.526 174.700 0.151 0.000 1.076 371 T CA 0.591 62.757 62.100 0.109 0.000 1.135 371 T CB 0.056 69.002 68.868 0.129 0.000 0.890 371 T HN 0.173 nan 8.240 nan 0.000 0.480 372 C N 1.917 121.296 119.300 0.132 0.000 2.376 372 C HA 0.903 5.366 4.460 0.004 0.000 0.335 372 C C 0.326 175.335 174.990 0.032 0.000 1.229 372 C CA -1.409 57.661 59.018 0.088 0.000 1.867 372 C CB 0.746 28.495 27.740 0.015 0.000 2.319 372 C HN 0.499 nan 8.230 nan 0.000 0.515 373 A N 1.777 124.634 122.820 0.060 0.000 2.414 373 A HA 0.731 5.053 4.320 0.004 0.000 0.306 373 A C -1.606 176.051 177.584 0.121 0.000 1.054 373 A CA -0.346 51.678 52.037 -0.022 0.000 0.724 373 A CB 0.993 20.008 19.000 0.025 0.000 1.267 373 A HN 0.895 nan 8.150 nan 0.000 0.418 374 Y N 1.496 121.743 120.300 -0.089 0.000 2.335 374 Y HA 0.632 5.185 4.550 0.004 0.000 0.338 374 Y C -0.313 175.571 175.900 -0.027 0.000 0.977 374 Y CA -0.539 57.526 58.100 -0.060 0.000 1.114 374 Y CB 1.724 40.106 38.460 -0.130 0.000 1.182 374 Y HN 0.550 nan 8.280 nan 0.000 0.463 375 T N 7.049 121.432 114.554 -0.285 0.000 2.749 375 T HA 0.207 4.559 4.350 0.004 0.000 0.287 375 T C -0.637 173.633 174.700 -0.718 0.000 0.970 375 T CA -0.736 61.131 62.100 -0.389 0.000 0.980 375 T CB 0.198 69.052 68.868 -0.024 0.000 0.924 375 T HN 0.635 nan 8.240 nan 0.000 0.456 376 N N 1.784 120.052 118.700 -0.721 0.000 2.421 376 N HA 0.180 4.922 4.740 0.004 0.000 0.285 376 N C -0.287 175.099 175.510 -0.208 0.000 1.027 376 N CA -0.327 52.495 53.050 -0.381 0.000 0.918 376 N CB 0.979 39.360 38.487 -0.177 0.000 1.152 376 N HN 0.619 nan 8.380 nan 0.000 0.485 377 H N -0.057 119.025 119.070 0.020 0.000 2.672 377 H HA 0.167 4.726 4.556 0.004 0.000 0.277 377 H C -0.062 175.216 175.328 -0.083 0.000 1.074 377 H CA -0.108 55.899 56.048 -0.067 0.000 1.173 377 H CB 0.696 30.442 29.762 -0.026 0.000 1.558 377 H HN 0.582 nan 8.280 nan 0.000 0.539 378 T N -3.053 111.583 114.554 0.137 0.000 2.940 378 T HA 0.339 4.691 4.350 0.004 0.000 0.288 378 T C 0.812 175.597 174.700 0.141 0.000 1.033 378 T CA -0.615 61.543 62.100 0.097 0.000 1.033 378 T CB 2.057 70.980 68.868 0.091 0.000 1.079 378 T HN -0.021 nan 8.240 nan 0.000 0.496 379 V N 0.907 120.845 119.914 0.038 0.000 3.379 379 V HA 0.434 4.557 4.120 0.004 0.000 0.249 379 V C -0.170 175.893 176.094 -0.052 0.000 1.184 379 V CA 0.238 62.554 62.300 0.028 0.000 1.106 379 V CB -0.009 31.804 31.823 -0.016 0.000 0.826 379 V HN 0.742 nan 8.190 nan 0.000 0.465 380 L N 0.760 121.941 121.223 -0.069 0.000 2.334 380 L HA 0.585 4.927 4.340 0.004 0.000 0.273 380 L C -1.684 175.138 176.870 -0.080 0.000 1.013 380 L CA -1.957 52.833 54.840 -0.083 0.000 0.816 380 L CB 1.460 43.469 42.059 -0.082 0.000 1.278 380 L HN -0.037 nan 8.230 nan 0.000 0.431 381 P HA -0.058 nan 4.420 nan 0.000 0.221 381 P C 0.068 177.340 177.300 -0.047 0.000 1.150 381 P CA 0.836 63.888 63.100 -0.080 0.000 0.800 381 P CB 0.365 32.026 31.700 -0.064 0.000 0.787 382 E N -0.738 119.437 120.200 -0.041 0.000 2.403 382 E HA 0.254 4.607 4.350 0.004 0.000 0.188 382 E C 1.474 178.054 176.600 -0.033 0.000 1.056 382 E CA 0.092 56.471 56.400 -0.035 0.000 0.892 382 E CB -0.521 29.163 29.700 -0.027 0.000 1.049 382 E HN 0.157 nan 8.360 nan 0.000 0.465 383 A N 0.314 123.117 122.820 -0.028 0.000 2.147 383 A HA 0.159 4.482 4.320 0.004 0.000 0.211 383 A C 0.456 178.037 177.584 -0.005 0.000 1.160 383 A CA -0.033 51.996 52.037 -0.012 0.000 0.781 383 A CB 0.108 19.103 19.000 -0.008 0.000 0.842 383 A HN 0.142 nan 8.150 nan 0.000 0.475 384 L N 0.941 122.156 121.223 -0.013 0.000 2.380 384 L HA 0.255 4.597 4.340 0.004 0.000 0.273 384 L C 0.590 177.413 176.870 -0.080 0.000 1.138 384 L CA 0.031 54.864 54.840 -0.012 0.000 0.832 384 L CB 0.259 42.325 42.059 0.012 0.000 1.124 384 L HN 0.326 nan 8.230 nan 0.000 0.454 385 E N 3.163 123.305 120.200 -0.096 0.000 2.376 385 E HA 0.224 4.576 4.350 0.004 0.000 0.266 385 E C -0.617 175.823 176.600 -0.266 0.000 1.009 385 E CA -0.070 56.209 56.400 -0.202 0.000 0.902 385 E CB 0.429 30.061 29.700 -0.113 0.000 0.972 385 E HN 0.359 nan 8.360 nan 0.000 0.439 386 R N 4.379 124.620 120.500 -0.431 0.000 2.539 386 R HA 0.190 4.532 4.340 0.004 0.000 0.295 386 R C -1.568 174.505 176.300 -0.379 0.000 1.138 386 R CA -0.547 55.374 56.100 -0.298 0.000 0.936 386 R CB 0.922 31.121 30.300 -0.169 0.000 1.182 386 R HN 0.487 nan 8.270 nan 0.000 0.459 387 W N 5.265 126.547 121.300 -0.030 0.000 2.338 387 W HA 0.313 4.976 4.660 0.004 0.000 0.307 387 W C -1.813 174.668 176.519 -0.063 0.000 1.167 387 W CA -2.018 55.297 57.345 -0.050 0.000 1.208 387 W CB 0.842 30.265 29.460 -0.063 0.000 1.228 387 W HN 0.274 nan 8.180 nan 0.000 0.499 388 P HA -0.069 nan 4.420 nan 0.000 0.269 388 P C 0.646 177.925 177.300 -0.034 0.000 1.215 388 P CA 0.129 63.265 63.100 0.060 0.000 0.780 388 P CB 1.274 33.001 31.700 0.045 0.000 0.898 389 V N 0.741 120.668 119.914 0.021 0.000 2.488 389 V HA -0.206 3.916 4.120 0.004 0.000 0.246 389 V C 2.378 178.459 176.094 -0.022 0.000 1.046 389 V CA 1.982 64.284 62.300 0.002 0.000 1.053 389 V CB -2.407 29.458 31.823 0.070 0.000 0.679 389 V HN 0.641 nan 8.190 nan 0.000 0.458 390 H N 0.071 119.183 119.070 0.070 0.000 2.426 390 H HA -0.131 4.427 4.556 0.004 0.000 0.298 390 H C 2.113 177.473 175.328 0.054 0.000 1.107 390 H CA 2.152 58.239 56.048 0.064 0.000 1.298 390 H CB -0.665 29.136 29.762 0.066 0.000 1.377 390 H HN 0.421 nan 8.280 nan 0.000 0.519 391 L N -0.538 120.341 121.223 -0.573 0.000 2.072 391 L HA -0.099 4.243 4.340 0.004 0.000 0.205 391 L C 2.029 178.790 176.870 -0.183 0.000 1.079 391 L CA 0.914 55.560 54.840 -0.323 0.000 0.752 391 L CB -0.185 41.675 42.059 -0.332 0.000 0.906 391 L HN 0.341 nan 8.230 nan 0.000 0.436 392 L N 0.026 121.147 121.223 -0.170 0.000 2.156 392 L HA -0.184 4.158 4.340 0.004 0.000 0.208 392 L C 2.396 179.197 176.870 -0.115 0.000 1.095 392 L CA 1.534 56.276 54.840 -0.164 0.000 0.770 392 L CB -0.646 41.324 42.059 -0.148 0.000 0.914 392 L HN 0.267 nan 8.230 nan 0.000 0.439 393 E N -1.507 118.660 120.200 -0.055 0.000 2.110 393 E HA -0.192 4.160 4.350 0.004 0.000 0.193 393 E C 1.757 178.374 176.600 0.030 0.000 0.988 393 E CA 1.635 58.036 56.400 0.001 0.000 0.804 393 E CB 0.172 29.908 29.700 0.060 0.000 0.745 393 E HN 0.472 nan 8.360 nan 0.000 0.458 394 T N 0.958 115.537 114.554 0.041 0.000 2.698 394 T HA -0.116 4.236 4.350 0.004 0.000 0.260 394 T C 1.781 176.513 174.700 0.054 0.000 1.044 394 T CA 1.047 63.210 62.100 0.105 0.000 1.149 394 T CB -0.199 68.760 68.868 0.151 0.000 0.864 394 T HN 0.106 nan 8.240 nan 0.000 0.419 395 L N -0.080 121.071 121.223 -0.120 0.000 2.162 395 L HA 0.262 4.604 4.340 0.004 0.000 0.205 395 L C 0.175 176.969 176.870 -0.125 0.000 1.086 395 L CA 1.296 55.938 54.840 -0.329 0.000 0.778 395 L CB 0.088 41.897 42.059 -0.417 0.000 0.928 395 L HN 0.112 nan 8.230 nan 0.000 0.446 396 L N 1.318 122.456 121.223 -0.142 0.000 2.839 396 L HA 0.345 4.687 4.340 0.004 0.000 0.259 396 L C -1.670 175.056 176.870 -0.240 0.000 1.369 396 L CA -1.269 53.456 54.840 -0.192 0.000 0.845 396 L CB 0.049 41.920 42.059 -0.313 0.000 1.181 396 L HN 0.031 nan 8.230 nan 0.000 0.529 397 P HA -0.211 nan 4.420 nan 0.000 0.216 397 P C 1.554 178.661 177.300 -0.322 0.000 1.153 397 P CA 1.183 64.169 63.100 -0.190 0.000 0.858 397 P CB 0.538 32.190 31.700 -0.080 0.000 0.789 398 R N -0.415 119.699 120.500 -0.644 0.000 2.092 398 R HA -0.133 4.210 4.340 0.004 0.000 0.231 398 R C 2.560 178.541 176.300 -0.533 0.000 1.119 398 R CA 1.480 57.188 56.100 -0.653 0.000 0.970 398 R CB -1.341 28.361 30.300 -0.997 0.000 0.864 398 R HN 0.290 nan 8.270 nan 0.000 0.440 399 H N -0.036 118.753 119.070 -0.468 0.000 2.389 399 H HA -0.103 4.456 4.556 0.004 0.000 0.299 399 H C 1.962 177.152 175.328 -0.229 0.000 1.081 399 H CA 1.516 57.377 56.048 -0.312 0.000 1.345 399 H CB -0.082 29.474 29.762 -0.344 0.000 1.393 399 H HN 0.216 nan 8.280 nan 0.000 0.520 400 L N 0.894 122.027 121.223 -0.150 0.000 2.046 400 L HA -0.223 4.119 4.340 0.004 0.000 0.208 400 L C 2.329 179.082 176.870 -0.196 0.000 1.077 400 L CA 1.361 56.060 54.840 -0.235 0.000 0.747 400 L CB -0.223 41.705 42.059 -0.219 0.000 0.896 400 L HN 0.312 nan 8.230 nan 0.000 0.432 401 Q N -0.309 119.457 119.800 -0.058 0.000 2.084 401 Q HA -0.226 4.116 4.340 0.004 0.000 0.202 401 Q C 2.176 178.228 176.000 0.087 0.000 0.978 401 Q CA 1.688 57.539 55.803 0.080 0.000 0.844 401 Q CB -0.071 28.703 28.738 0.060 0.000 0.898 401 Q HN 0.553 nan 8.270 nan 0.000 0.426 402 I N 0.290 120.881 120.570 0.035 0.000 2.226 402 I HA -0.295 3.877 4.170 0.004 0.000 0.245 402 I C 2.151 178.349 176.117 0.136 0.000 1.100 402 I CA 1.088 62.462 61.300 0.125 0.000 1.374 402 I CB -0.245 37.793 38.000 0.063 0.000 1.057 402 I HN 0.204 nan 8.210 nan 0.000 0.413 403 I N -0.342 120.250 120.570 0.037 0.000 2.163 403 I HA -0.339 3.833 4.170 0.004 0.000 0.243 403 I C 2.505 178.662 176.117 0.066 0.000 1.085 403 I CA 1.617 62.925 61.300 0.015 0.000 1.347 403 I CB -0.451 37.492 38.000 -0.096 0.000 1.044 403 I HN 0.141 nan 8.210 nan 0.000 0.408 404 Y N 0.844 121.163 120.300 0.032 0.000 2.165 404 Y HA -0.296 4.256 4.550 0.004 0.000 0.286 404 Y C 2.593 178.471 175.900 -0.036 0.000 1.155 404 Y CA 1.709 59.813 58.100 0.007 0.000 1.164 404 Y CB -0.765 37.693 38.460 -0.004 0.000 0.978 404 Y HN 0.237 nan 8.280 nan 0.000 0.513 405 E N 0.293 120.564 120.200 0.118 0.000 2.072 405 E HA -0.143 4.209 4.350 0.004 0.000 0.191 405 E C 2.106 178.596 176.600 -0.183 0.000 0.985 405 E CA 1.283 57.621 56.400 -0.102 0.000 0.801 405 E CB -0.562 29.067 29.700 -0.117 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.680 121.282 120.570 0.054 0.000 2.179 406 I HA -0.277 3.896 4.170 0.004 0.000 0.242 406 I C 2.282 178.408 176.117 0.014 0.000 1.088 406 I CA 1.401 62.724 61.300 0.038 0.000 1.357 406 I CB -0.353 37.708 38.000 0.101 0.000 1.051 406 I HN 0.233 nan 8.210 nan 0.000 0.409 407 N N 0.577 119.330 118.700 0.089 0.000 2.058 407 N HA -0.267 4.475 4.740 0.004 0.000 0.191 407 N C 1.919 177.517 175.510 0.146 0.000 1.037 407 N CA 1.615 54.764 53.050 0.165 0.000 0.848 407 N CB -0.183 38.419 38.487 0.192 0.000 1.021 407 N HN 0.228 nan 8.380 nan 0.000 0.422 408 Q N -0.005 119.820 119.800 0.043 0.000 2.096 408 Q HA -0.146 4.196 4.340 0.004 0.000 0.204 408 Q C 2.073 178.044 176.000 -0.049 0.000 0.982 408 Q CA 1.408 57.200 55.803 -0.018 0.000 0.850 408 Q CB -0.014 28.674 28.738 -0.084 0.000 0.901 408 Q HN 0.471 nan 8.270 nan 0.000 0.422 409 R N -0.716 119.717 120.500 -0.112 0.000 2.062 409 R HA -0.130 4.213 4.340 0.004 0.000 0.231 409 R C 2.218 178.529 176.300 0.018 0.000 1.136 409 R CA 1.379 57.405 56.100 -0.123 0.000 0.948 409 R CB -0.579 29.552 30.300 -0.282 0.000 0.845 409 R HN 0.212 nan 8.270 nan 0.000 0.430 410 F N 1.965 121.892 119.950 -0.038 0.000 2.115 410 F HA -0.224 4.305 4.527 0.004 0.000 0.300 410 F C 1.874 177.700 175.800 0.044 0.000 1.092 410 F CA 1.521 59.560 58.000 0.064 0.000 1.245 410 F CB -0.198 38.879 39.000 0.128 0.000 0.995 410 F HN -0.063 nan 8.300 nan 0.000 0.481 411 L N -0.252 120.993 121.223 0.036 0.000 2.083 411 L HA -0.245 4.097 4.340 0.004 0.000 0.209 411 L C 2.095 178.904 176.870 -0.103 0.000 1.083 411 L CA 1.758 56.560 54.840 -0.063 0.000 0.752 411 L CB -1.077 41.000 42.059 0.029 0.000 0.899 411 L HN 0.242 nan 8.230 nan 0.000 0.433 412 N N -0.019 118.635 118.700 -0.075 0.000 2.061 412 N HA -0.199 4.543 4.740 0.004 0.000 0.193 412 N C 1.926 177.385 175.510 -0.084 0.000 1.030 412 N CA 1.164 54.171 53.050 -0.071 0.000 0.856 412 N CB -0.024 38.425 38.487 -0.062 0.000 1.023 412 N HN 0.269 nan 8.380 nan 0.000 0.424 413 R N 0.346 120.778 120.500 -0.113 0.000 2.120 413 R HA -0.069 4.274 4.340 0.004 0.000 0.234 413 R C 2.043 178.259 176.300 -0.139 0.000 1.123 413 R CA 0.933 56.963 56.100 -0.117 0.000 0.975 413 R CB -0.349 29.886 30.300 -0.109 0.000 0.866 413 R HN 0.180 nan 8.270 nan 0.000 0.446 414 V N 0.800 120.591 119.914 -0.206 0.000 2.379 414 V HA -0.140 3.982 4.120 0.004 0.000 0.245 414 V C 2.449 178.568 176.094 0.042 0.000 1.044 414 V CA 1.812 64.059 62.300 -0.088 0.000 1.036 414 V CB -0.648 31.039 31.823 -0.225 0.000 0.664 414 V HN 0.332 nan 8.190 nan 0.000 0.453 415 A N -0.047 122.759 122.820 -0.023 0.000 2.015 415 A HA 0.038 4.360 4.320 0.004 0.000 0.219 415 A C 2.354 179.933 177.584 -0.009 0.000 1.163 415 A CA 1.761 53.798 52.037 0.001 0.000 0.646 415 A CB -0.532 18.455 19.000 -0.023 0.000 0.806 415 A HN 0.531 nan 8.150 nan 0.000 0.448 416 A N 0.080 122.876 122.820 -0.040 0.000 1.832 416 A HA 0.254 4.576 4.320 0.004 0.000 0.214 416 A C 2.415 179.932 177.584 -0.111 0.000 1.204 416 A CA 1.728 53.727 52.037 -0.063 0.000 0.606 416 A CB -1.130 17.832 19.000 -0.064 0.000 0.849 416 A HN 1.087 nan 8.150 nan 0.000 0.445 417 A N -2.184 120.537 122.820 -0.164 0.000 2.216 417 A HA 0.318 4.641 4.320 0.004 0.000 0.214 417 A C 0.191 177.324 177.584 -0.751 0.000 1.160 417 A CA 0.490 52.287 52.037 -0.401 0.000 0.725 417 A CB -0.503 18.248 19.000 -0.414 0.000 0.784 417 A HN 0.420 nan 8.150 nan 0.000 0.472 418 F N -0.363 119.541 119.950 -0.077 0.000 2.931 418 F HA 0.322 4.851 4.527 0.004 0.000 0.375 418 F C -2.767 172.998 175.800 -0.059 0.000 1.243 418 F CA -2.197 55.762 58.000 -0.069 0.000 1.206 418 F CB 1.349 40.299 39.000 -0.083 0.000 1.643 418 F HN -0.083 nan 8.300 nan 0.000 0.593 419 P HA 0.301 nan 4.420 nan 0.000 0.272 419 P C 0.997 178.322 177.300 0.041 0.000 1.223 419 P CA 0.738 63.855 63.100 0.028 0.000 0.784 419 P CB 1.247 32.944 31.700 -0.005 0.000 0.923 420 G N 1.779 110.592 108.800 0.021 0.000 2.609 420 G HA2 -0.297 3.666 3.960 0.004 0.000 0.235 420 G HA3 -0.297 3.666 3.960 0.004 0.000 0.235 420 G C 0.585 175.493 174.900 0.014 0.000 1.177 420 G CA 0.336 45.445 45.100 0.014 0.000 0.707 420 G HN 0.601 nan 8.290 nan 0.000 0.513 421 D N 2.063 122.480 120.400 0.028 0.000 2.606 421 D HA 0.269 4.911 4.640 0.004 0.000 0.234 421 D C 2.125 178.415 176.300 -0.016 0.000 1.140 421 D CA 0.671 54.674 54.000 0.005 0.000 1.182 421 D CB -0.089 40.715 40.800 0.007 0.000 1.130 421 D HN 0.793 nan 8.370 nan 0.000 0.485 422 V N -0.566 119.340 119.914 -0.013 0.000 3.444 422 V HA -0.050 4.072 4.120 0.004 0.000 0.271 422 V C 1.401 177.481 176.094 -0.022 0.000 1.188 422 V CA 0.830 63.121 62.300 -0.016 0.000 1.168 422 V CB -0.191 31.626 31.823 -0.010 0.000 0.810 422 V HN 0.103 nan 8.190 nan 0.000 0.500 423 D N 0.246 120.627 120.400 -0.032 0.000 2.367 423 D HA 0.043 4.685 4.640 0.004 0.000 0.207 423 D C 2.165 178.430 176.300 -0.058 0.000 1.034 423 D CA 0.444 54.423 54.000 -0.036 0.000 0.861 423 D CB 0.166 40.946 40.800 -0.034 0.000 0.943 423 D HN 0.441 nan 8.370 nan 0.000 0.515 424 R N -0.413 120.033 120.500 -0.090 0.000 2.225 424 R HA 0.065 4.407 4.340 0.004 0.000 0.194 424 R C 1.344 177.572 176.300 -0.120 0.000 0.957 424 R CA 0.050 56.062 56.100 -0.147 0.000 1.042 424 R CB 0.122 30.262 30.300 -0.267 0.000 1.004 424 R HN 0.063 nan 8.270 nan 0.000 0.509 425 L N 1.200 122.378 121.223 -0.075 0.000 2.012 425 L HA -0.123 4.219 4.340 0.004 0.000 0.210 425 L C 2.206 179.075 176.870 -0.002 0.000 1.073 425 L CA 1.809 56.622 54.840 -0.043 0.000 0.748 425 L CB -1.108 40.937 42.059 -0.023 0.000 0.891 425 L HN 0.164 nan 8.230 nan 0.000 0.431 426 R N -0.828 119.677 120.500 0.009 0.000 2.115 426 R HA -0.059 4.284 4.340 0.004 0.000 0.230 426 R C 2.298 178.637 176.300 0.065 0.000 1.111 426 R CA 0.698 56.825 56.100 0.044 0.000 0.976 426 R CB -0.268 30.054 30.300 0.037 0.000 0.870 426 R HN 0.310 nan 8.270 nan 0.000 0.445 427 R N -0.025 120.494 120.500 0.031 0.000 2.148 427 R HA 0.035 4.378 4.340 0.004 0.000 0.227 427 R C 1.700 178.029 176.300 0.048 0.000 1.103 427 R CA 1.123 57.254 56.100 0.052 0.000 0.983 427 R CB 0.019 30.324 30.300 0.007 0.000 0.874 427 R HN 0.258 nan 8.270 nan 0.000 0.451 428 M N -0.309 119.275 119.600 -0.027 0.000 2.371 428 M HA 0.088 4.570 4.480 0.004 0.000 0.246 428 M C 0.585 176.978 176.300 0.154 0.000 1.103 428 M CA -0.106 55.138 55.300 -0.093 0.000 1.010 428 M CB 0.892 33.299 32.600 -0.321 0.000 1.457 428 M HN -0.130 nan 8.290 nan 0.000 0.486 429 S N 1.268 117.079 115.700 0.186 0.000 2.549 429 S HA 0.156 4.628 4.470 0.004 0.000 0.286 429 S C 1.259 176.065 174.600 0.343 0.000 1.314 429 S CA -0.360 57.991 58.200 0.252 0.000 1.062 429 S CB 0.598 63.910 63.200 0.188 0.000 0.865 429 S HN 0.379 nan 8.310 nan 0.000 0.498 430 L N 4.391 125.796 121.223 0.304 0.000 2.131 430 L HA 0.001 4.343 4.340 0.004 0.000 0.210 430 L C 0.591 177.587 176.870 0.210 0.000 1.092 430 L CA 0.654 55.650 54.840 0.260 0.000 0.759 430 L CB -0.565 41.593 42.059 0.166 0.000 0.903 430 L HN 0.436 nan 8.230 nan 0.000 0.435 431 V N 1.212 121.254 119.914 0.213 0.000 2.408 431 V HA 0.120 4.242 4.120 0.004 0.000 0.267 431 V C 0.246 176.447 176.094 0.179 0.000 1.047 431 V CA -0.319 62.099 62.300 0.195 0.000 0.937 431 V CB 1.124 33.095 31.823 0.248 0.000 0.999 431 V HN 0.204 nan 8.190 nan 0.000 0.472 432 E N 4.208 124.499 120.200 0.152 0.000 2.191 432 E HA 0.359 4.711 4.350 0.004 0.000 0.274 432 E C -0.722 175.944 176.600 0.110 0.000 0.948 432 E CA -0.657 55.825 56.400 0.136 0.000 0.802 432 E CB 1.274 31.046 29.700 0.121 0.000 1.137 432 E HN 0.654 nan 8.360 nan 0.000 0.397 433 E N 3.636 123.893 120.200 0.096 0.000 2.400 433 E HA 0.233 4.585 4.350 0.004 0.000 0.232 433 E C -0.065 176.574 176.600 0.066 0.000 0.988 433 E CA -0.350 56.099 56.400 0.081 0.000 0.823 433 E CB 1.401 31.144 29.700 0.072 0.000 1.246 433 E HN 0.686 nan 8.360 nan 0.000 0.441 434 G N 1.029 109.867 108.800 0.063 0.000 2.829 434 G HA2 0.309 4.271 3.960 0.004 0.000 0.173 434 G HA3 0.309 4.271 3.960 0.004 0.000 0.173 434 G C 0.980 175.907 174.900 0.045 0.000 1.476 434 G CA 0.383 45.513 45.100 0.050 0.000 1.072 434 G HN 0.388 nan 8.290 nan 0.000 0.577 435 A N -1.269 121.574 122.820 0.039 0.000 1.841 435 A HA 0.288 4.610 4.320 0.004 0.000 0.214 435 A C 1.154 178.765 177.584 0.045 0.000 1.195 435 A CA 1.463 53.521 52.037 0.035 0.000 0.611 435 A CB -0.821 18.195 19.000 0.028 0.000 0.835 435 A HN 0.583 nan 8.150 nan 0.000 0.443 436 V N 0.242 120.191 119.914 0.059 0.000 2.617 436 V HA 0.275 4.397 4.120 0.004 0.000 0.298 436 V C 0.329 176.483 176.094 0.101 0.000 1.048 436 V CA -1.118 61.234 62.300 0.088 0.000 0.964 436 V CB 1.408 33.305 31.823 0.123 0.000 1.004 436 V HN 0.345 nan 8.190 nan 0.000 0.466 437 K N 3.132 123.606 120.400 0.122 0.000 2.339 437 K HA 0.423 4.745 4.320 0.004 0.000 0.286 437 K C -0.467 176.210 176.600 0.128 0.000 1.050 437 K CA -0.131 56.230 56.287 0.123 0.000 0.956 437 K CB 0.542 33.123 32.500 0.134 0.000 0.990 437 K HN 0.657 nan 8.250 nan 0.000 0.475 438 R N 2.901 123.465 120.500 0.106 0.000 2.795 438 R HA 0.482 4.824 4.340 0.004 0.000 0.275 438 R C -0.496 175.855 176.300 0.084 0.000 0.981 438 R CA -0.909 55.243 56.100 0.087 0.000 0.917 438 R CB 1.478 31.812 30.300 0.056 0.000 1.202 438 R HN 0.409 nan 8.270 nan 0.000 0.469 439 I N 2.527 123.143 120.570 0.075 0.000 2.306 439 I HA 0.100 4.273 4.170 0.004 0.000 0.288 439 I C -0.100 176.043 176.117 0.043 0.000 1.036 439 I CA -0.607 60.733 61.300 0.066 0.000 1.221 439 I CB 0.862 38.890 38.000 0.047 0.000 1.385 439 I HN 0.555 nan 8.210 nan 0.000 0.472 440 N N 6.065 124.780 118.700 0.024 0.000 2.416 440 N HA -0.022 4.720 4.740 0.004 0.000 0.271 440 N C 0.720 176.165 175.510 -0.109 0.000 1.245 440 N CA -0.012 52.987 53.050 -0.085 0.000 0.940 440 N CB 0.814 39.194 38.487 -0.178 0.000 1.175 440 N HN 0.457 nan 8.380 nan 0.000 0.483 441 M N 3.836 123.377 119.600 -0.098 0.000 2.419 441 M HA 0.063 4.546 4.480 0.004 0.000 0.264 441 M C 1.853 178.043 176.300 -0.183 0.000 1.082 441 M CA 0.718 55.976 55.300 -0.069 0.000 1.119 441 M CB -0.234 32.379 32.600 0.021 0.000 1.398 441 M HN 0.694 nan 8.290 nan 0.000 0.453 442 A N -0.978 121.701 122.820 -0.235 0.000 1.873 442 A HA -0.188 4.134 4.320 0.004 0.000 0.215 442 A C 1.896 179.257 177.584 -0.371 0.000 1.186 442 A CA 1.803 53.657 52.037 -0.304 0.000 0.616 442 A CB -1.197 17.751 19.000 -0.087 0.000 0.823 442 A HN 0.665 nan 8.150 nan 0.000 0.442 443 H N -0.871 118.048 119.070 -0.252 0.000 2.421 443 H HA -0.029 4.529 4.556 0.004 0.000 0.298 443 H C 2.052 177.234 175.328 -0.244 0.000 1.087 443 H CA 0.886 56.762 56.048 -0.286 0.000 1.330 443 H CB -0.075 29.707 29.762 0.034 0.000 1.388 443 H HN 0.352 nan 8.280 nan 0.000 0.526 444 L N 0.252 121.429 121.223 -0.076 0.000 2.046 444 L HA -0.230 4.112 4.340 0.004 0.000 0.208 444 L C 2.048 178.814 176.870 -0.173 0.000 1.077 444 L CA 1.291 56.080 54.840 -0.085 0.000 0.747 444 L CB -0.367 41.661 42.059 -0.051 0.000 0.896 444 L HN 0.481 nan 8.230 nan 0.000 0.432 445 C N -0.029 119.062 119.300 -0.348 0.000 2.440 445 C HA -0.139 4.323 4.460 0.004 0.000 0.278 445 C C 2.638 177.388 174.990 -0.401 0.000 1.295 445 C CA 0.462 59.160 59.018 -0.532 0.000 1.738 445 C CB -0.678 26.302 27.740 -1.267 0.000 1.987 445 C HN 0.501 nan 8.230 nan 0.000 0.492 446 I N 1.075 121.407 120.570 -0.397 0.000 2.546 446 I HA -0.121 4.052 4.170 0.004 0.000 0.255 446 I C 2.568 178.619 176.117 -0.110 0.000 1.163 446 I CA 1.338 62.462 61.300 -0.293 0.000 1.457 446 I CB -0.337 37.373 38.000 -0.484 0.000 1.092 446 I HN 0.275 nan 8.210 nan 0.000 0.434 447 A N 0.449 123.188 122.820 -0.135 0.000 1.943 447 A HA 0.120 4.443 4.320 0.004 0.000 0.213 447 A C 2.230 179.866 177.584 0.087 0.000 1.181 447 A CA 1.162 53.159 52.037 -0.066 0.000 0.653 447 A CB -0.820 17.956 19.000 -0.373 0.000 0.833 447 A HN 0.400 nan 8.150 nan 0.000 0.451 448 G N -0.205 108.587 108.800 -0.012 0.000 3.088 448 G HA2 0.372 4.334 3.960 0.004 0.000 0.212 448 G HA3 0.372 4.334 3.960 0.004 0.000 0.212 448 G C 0.272 175.043 174.900 -0.215 0.000 1.173 448 G CA 0.764 45.760 45.100 -0.173 0.000 0.779 448 G HN 0.631 nan 8.290 nan 0.000 0.540 449 S N -1.395 114.225 115.700 -0.133 0.000 2.569 449 S HA 0.419 4.891 4.470 0.004 0.000 0.280 449 S C 0.329 174.895 174.600 -0.057 0.000 1.111 449 S CA -0.585 57.551 58.200 -0.106 0.000 0.887 449 S CB 1.544 64.676 63.200 -0.113 0.000 1.095 449 S HN 0.465 nan 8.310 nan 0.000 0.476 450 H N 0.303 119.360 119.070 -0.021 0.000 2.448 450 H HA 0.599 5.157 4.556 0.004 0.000 0.292 450 H C 0.474 175.819 175.328 0.028 0.000 1.035 450 H CA 0.573 56.633 56.048 0.021 0.000 1.349 450 H CB 0.017 29.789 29.762 0.017 0.000 1.425 450 H HN 0.803 nan 8.280 nan 0.000 0.539 451 A N 1.568 124.067 122.820 -0.536 0.000 2.318 451 A HA 0.584 4.906 4.320 0.004 0.000 0.317 451 A C -1.088 176.315 177.584 -0.301 0.000 1.159 451 A CA -0.737 51.107 52.037 -0.322 0.000 0.799 451 A CB 1.443 20.259 19.000 -0.306 0.000 1.194 451 A HN 0.184 nan 8.150 nan 0.000 0.479 452 V N 5.008 124.708 119.914 -0.358 0.000 2.347 452 V HA 0.307 4.430 4.120 0.004 0.000 0.280 452 V C -0.058 175.845 176.094 -0.319 0.000 1.021 452 V CA -0.779 61.282 62.300 -0.399 0.000 0.847 452 V CB 1.156 32.529 31.823 -0.750 0.000 0.990 452 V HN 0.971 nan 8.190 nan 0.000 0.444 453 N N 4.027 122.563 118.700 -0.273 0.000 2.399 453 N HA 0.499 5.241 4.740 0.004 0.000 0.295 453 N C -0.003 175.415 175.510 -0.154 0.000 1.048 453 N CA -0.335 52.597 53.050 -0.197 0.000 0.886 453 N CB 2.649 41.001 38.487 -0.225 0.000 1.185 453 N HN 0.575 nan 8.380 nan 0.000 0.487 454 G N 0.012 108.776 108.800 -0.061 0.000 2.543 454 G HA2 0.341 4.303 3.960 0.004 0.000 0.290 454 G HA3 0.341 4.303 3.960 0.004 0.000 0.290 454 G C 0.091 175.066 174.900 0.125 0.000 1.310 454 G CA -0.522 44.631 45.100 0.088 0.000 1.025 454 G HN 0.440 nan 8.290 nan 0.000 0.502 455 V N -0.661 119.423 119.914 0.283 0.000 3.382 455 V HA 0.607 4.729 4.120 0.004 0.000 0.296 455 V C 0.572 176.724 176.094 0.097 0.000 1.529 455 V CA 0.900 63.247 62.300 0.078 0.000 1.048 455 V CB -0.017 31.735 31.823 -0.119 0.000 0.878 455 V HN 1.163 nan 8.190 nan 0.000 0.442 456 A N -0.654 122.260 122.820 0.156 0.000 2.594 456 A HA 0.585 4.908 4.320 0.004 0.000 0.296 456 A C 0.386 178.040 177.584 0.117 0.000 1.061 456 A CA -0.205 51.905 52.037 0.122 0.000 0.689 456 A CB 1.089 20.149 19.000 0.101 0.000 1.280 456 A HN 0.048 nan 8.150 nan 0.000 0.406 457 R N 0.611 121.150 120.500 0.065 0.000 2.091 457 R HA -0.156 4.186 4.340 0.004 0.000 0.238 457 R C 1.235 177.543 176.300 0.014 0.000 1.136 457 R CA 2.604 58.719 56.100 0.025 0.000 0.959 457 R CB -0.481 29.823 30.300 0.006 0.000 0.856 457 R HN 0.787 nan 8.270 nan 0.000 0.437 458 I N -0.898 119.690 120.570 0.029 0.000 2.315 458 I HA -0.172 4.000 4.170 0.004 0.000 0.248 458 I C 2.348 178.479 176.117 0.022 0.000 1.117 458 I CA 1.583 62.890 61.300 0.012 0.000 1.404 458 I CB -0.732 37.276 38.000 0.014 0.000 1.071 458 I HN 0.255 nan 8.210 nan 0.000 0.419 459 H N 1.122 120.176 119.070 -0.026 0.000 2.293 459 H HA -0.099 4.459 4.556 0.004 0.000 0.300 459 H C 2.219 177.532 175.328 -0.026 0.000 1.082 459 H CA 2.157 58.188 56.048 -0.028 0.000 1.308 459 H CB -0.241 29.512 29.762 -0.017 0.000 1.375 459 H HN 0.173 nan 8.280 nan 0.000 0.495 460 S N 0.484 116.074 115.700 -0.183 0.000 2.440 460 S HA -0.131 4.341 4.470 0.004 0.000 0.238 460 S C 1.794 176.291 174.600 -0.171 0.000 1.010 460 S CA 1.193 59.270 58.200 -0.205 0.000 0.972 460 S CB -0.080 63.089 63.200 -0.052 0.000 0.774 460 S HN 0.501 nan 8.310 nan 0.000 0.501 461 E N 1.406 121.516 120.200 -0.149 0.000 2.086 461 E HA 0.001 4.354 4.350 0.004 0.000 0.190 461 E C 2.145 178.632 176.600 -0.188 0.000 0.975 461 E CA 0.713 57.016 56.400 -0.162 0.000 0.813 461 E CB -0.294 29.339 29.700 -0.111 0.000 0.768 461 E HN 0.725 nan 8.360 nan 0.000 0.457 462 I N -1.290 119.179 120.570 -0.168 0.000 2.756 462 I HA -0.155 4.017 4.170 0.004 0.000 0.262 462 I C 2.066 178.064 176.117 -0.198 0.000 1.225 462 I CA 0.759 61.962 61.300 -0.162 0.000 1.472 462 I CB -0.338 37.590 38.000 -0.121 0.000 1.094 462 I HN -0.038 nan 8.210 nan 0.000 0.454 463 L N 1.154 122.246 121.223 -0.218 0.000 2.027 463 L HA -0.120 4.222 4.340 0.004 0.000 0.206 463 L C 2.678 179.479 176.870 -0.116 0.000 1.074 463 L CA 1.619 56.394 54.840 -0.109 0.000 0.745 463 L CB -0.630 41.472 42.059 0.072 0.000 0.898 463 L HN 0.192 nan 8.230 nan 0.000 0.433 464 K N -0.070 120.149 120.400 -0.301 0.000 2.148 464 K HA -0.152 4.170 4.320 0.004 0.000 0.204 464 K C 2.175 178.517 176.600 -0.431 0.000 1.050 464 K CA 1.095 56.990 56.287 -0.652 0.000 0.942 464 K CB 0.033 31.904 32.500 -1.049 0.000 0.724 464 K HN 0.181 nan 8.250 nan 0.000 0.446 465 K N -0.268 119.969 120.400 -0.271 0.000 1.980 465 K HA -0.092 4.230 4.320 0.004 0.000 0.208 465 K C 2.232 178.772 176.600 -0.100 0.000 1.043 465 K CA 2.011 58.200 56.287 -0.163 0.000 0.938 465 K CB 0.108 32.529 32.500 -0.131 0.000 0.724 465 K HN 0.298 nan 8.250 nan 0.000 0.438 466 T N -1.818 112.673 114.554 -0.105 0.000 3.238 466 T HA 0.069 4.421 4.350 0.004 0.000 0.242 466 T C 1.954 176.606 174.700 -0.081 0.000 0.980 466 T CA -0.080 61.975 62.100 -0.075 0.000 1.235 466 T CB -0.525 68.296 68.868 -0.078 0.000 1.069 466 T HN -0.056 nan 8.240 nan 0.000 0.407 467 I N 1.261 121.722 120.570 -0.182 0.000 2.151 467 I HA -0.012 4.160 4.170 0.004 0.000 0.243 467 I C 1.118 177.076 176.117 -0.265 0.000 1.080 467 I CA 1.572 62.665 61.300 -0.345 0.000 1.339 467 I CB -0.473 37.134 38.000 -0.656 0.000 1.039 467 I HN 0.231 nan 8.210 nan 0.000 0.409 468 F N 1.074 121.073 119.950 0.081 0.000 2.791 468 F HA 0.221 4.751 4.527 0.004 0.000 0.308 468 F C 1.736 177.623 175.800 0.145 0.000 1.138 468 F CA -0.925 57.184 58.000 0.180 0.000 1.294 468 F CB -0.681 38.451 39.000 0.220 0.000 0.975 468 F HN 0.031 nan 8.300 nan 0.000 0.512 469 K N -0.502 120.024 120.400 0.209 0.000 2.032 469 K HA -0.196 4.126 4.320 0.004 0.000 0.209 469 K C 0.772 177.473 176.600 0.168 0.000 1.048 469 K CA 2.200 58.566 56.287 0.133 0.000 0.927 469 K CB -0.406 32.135 32.500 0.068 0.000 0.712 469 K HN 0.045 nan 8.250 nan 0.000 0.441 470 D N 0.711 121.199 120.400 0.147 0.000 2.190 470 D HA -0.147 4.496 4.640 0.004 0.000 0.200 470 D C 1.699 177.960 176.300 -0.065 0.000 0.992 470 D CA 1.182 55.151 54.000 -0.052 0.000 0.854 470 D CB -0.366 40.328 40.800 -0.176 0.000 0.936 470 D HN 0.280 nan 8.370 nan 0.000 0.462 471 F N -0.880 119.153 119.950 0.137 0.000 2.367 471 F HA -0.010 4.519 4.527 0.004 0.000 0.298 471 F C 2.129 178.037 175.800 0.180 0.000 1.094 471 F CA 0.220 58.374 58.000 0.256 0.000 1.409 471 F CB -0.485 38.775 39.000 0.432 0.000 1.064 471 F HN -0.026 nan 8.300 nan 0.000 0.528 472 Y N 1.519 121.764 120.300 -0.092 0.000 2.206 472 Y HA -0.036 4.517 4.550 0.004 0.000 0.292 472 Y C 1.500 177.340 175.900 -0.100 0.000 1.123 472 Y CA 1.243 59.124 58.100 -0.365 0.000 1.142 472 Y CB -0.666 37.426 38.460 -0.613 0.000 1.006 472 Y HN 0.030 nan 8.280 nan 0.000 0.518 473 E N 1.078 121.200 120.200 -0.130 0.000 2.385 473 E HA -0.047 4.305 4.350 0.004 0.000 0.201 473 E C 0.985 177.631 176.600 0.077 0.000 1.250 473 E CA 0.191 56.528 56.400 -0.106 0.000 1.104 473 E CB -0.197 29.508 29.700 0.008 0.000 1.174 473 E HN 0.443 nan 8.360 nan 0.000 0.461 474 L N -0.889 120.349 121.223 0.025 0.000 3.610 474 L HA 0.214 4.556 4.340 0.004 0.000 0.362 474 L C -0.833 176.085 176.870 0.080 0.000 1.003 474 L CA 0.690 55.607 54.840 0.128 0.000 1.443 474 L CB 0.972 43.137 42.059 0.177 0.000 2.184 474 L HN -0.061 nan 8.230 nan 0.000 0.613 475 E N 0.761 120.959 120.200 -0.004 0.000 2.829 475 E HA 0.223 4.575 4.350 0.004 0.000 0.350 475 E C -2.202 174.215 176.600 -0.305 0.000 1.119 475 E CA -1.068 55.173 56.400 -0.265 0.000 0.764 475 E CB 1.766 31.556 29.700 0.150 0.000 1.576 475 E HN 0.079 nan 8.360 nan 0.000 0.379 476 P HA -0.207 nan 4.420 nan 0.000 0.214 476 P C 1.289 178.603 177.300 0.022 0.000 1.162 476 P CA 1.120 64.100 63.100 -0.201 0.000 0.874 476 P CB -0.063 31.455 31.700 -0.303 0.000 0.784 477 H N 0.531 119.709 119.070 0.181 0.000 2.444 477 H HA -0.236 4.322 4.556 0.004 0.000 0.294 477 H C 1.800 177.245 175.328 0.195 0.000 1.125 477 H CA 1.750 57.895 56.048 0.163 0.000 1.230 477 H CB -0.839 28.993 29.762 0.117 0.000 1.361 477 H HN 0.162 nan 8.280 nan 0.000 0.508 478 K N 0.816 121.369 120.400 0.256 0.000 1.984 478 K HA -0.048 4.274 4.320 0.004 0.000 0.209 478 K C 0.265 176.925 176.600 0.100 0.000 1.046 478 K CA 0.635 57.059 56.287 0.227 0.000 0.934 478 K CB -0.031 32.572 32.500 0.172 0.000 0.717 478 K HN 0.021 nan 8.250 nan 0.000 0.438 479 F N 1.390 121.396 119.950 0.094 0.000 2.450 479 F HA 0.217 4.746 4.527 0.004 0.000 0.339 479 F C 0.527 176.341 175.800 0.023 0.000 1.146 479 F CA 0.210 58.247 58.000 0.062 0.000 1.267 479 F CB 0.976 40.039 39.000 0.106 0.000 1.178 479 F HN 0.181 nan 8.300 nan 0.000 0.585 480 Q N 0.545 120.414 119.800 0.115 0.000 2.814 480 Q HA 0.309 4.652 4.340 0.004 0.000 0.322 480 Q C -1.519 174.463 176.000 -0.030 0.000 0.861 480 Q CA -1.206 54.603 55.803 0.010 0.000 0.773 480 Q CB 2.914 31.607 28.738 -0.074 0.000 1.423 480 Q HN 0.655 nan 8.270 nan 0.000 0.495 481 N N 0.673 119.331 118.700 -0.070 0.000 2.260 481 N HA 0.280 5.022 4.740 0.004 0.000 0.293 481 N C -1.744 173.685 175.510 -0.134 0.000 1.058 481 N CA -0.407 52.602 53.050 -0.069 0.000 0.824 481 N CB 1.315 39.781 38.487 -0.034 0.000 1.551 481 N HN 0.301 nan 8.380 nan 0.000 0.475 482 K N 2.739 123.058 120.400 -0.135 0.000 2.675 482 K HA 0.200 4.522 4.320 0.004 0.000 0.224 482 K C -0.760 175.846 176.600 0.010 0.000 1.003 482 K CA -0.497 55.685 56.287 -0.175 0.000 1.034 482 K CB 1.069 33.263 32.500 -0.509 0.000 1.218 482 K HN 0.518 nan 8.250 nan 0.000 0.507 483 T N 2.803 117.374 114.554 0.029 0.000 2.905 483 T HA 0.026 4.378 4.350 0.004 0.000 0.299 483 T C 0.697 175.508 174.700 0.184 0.000 1.024 483 T CA 0.290 62.450 62.100 0.100 0.000 1.151 483 T CB 0.124 69.035 68.868 0.071 0.000 0.987 483 T HN 0.261 nan 8.240 nan 0.000 0.535 484 N N 1.473 120.311 118.700 0.230 0.000 2.374 484 N HA 0.298 5.041 4.740 0.004 0.000 0.241 484 N C 0.529 176.223 175.510 0.308 0.000 1.262 484 N CA 0.269 53.497 53.050 0.298 0.000 0.880 484 N CB 0.729 39.346 38.487 0.217 0.000 1.105 484 N HN 0.809 nan 8.380 nan 0.000 0.438 485 G N -0.381 108.625 108.800 0.343 0.000 3.022 485 G HA2 0.792 4.755 3.960 0.004 0.000 0.284 485 G HA3 0.792 4.755 3.960 0.004 0.000 0.284 485 G C -1.122 173.921 174.900 0.238 0.000 1.375 485 G CA -0.373 44.909 45.100 0.302 0.000 0.902 485 G HN 0.454 nan 8.290 nan 0.000 0.538 486 I N -0.666 120.032 120.570 0.213 0.000 2.775 486 I HA 0.344 4.517 4.170 0.004 0.000 0.295 486 I C -0.209 176.052 176.117 0.241 0.000 1.287 486 I CA -0.568 60.836 61.300 0.174 0.000 1.029 486 I CB 2.745 40.761 38.000 0.026 0.000 1.282 486 I HN 0.552 nan 8.210 nan 0.000 0.426 487 T N 6.728 121.468 114.554 0.311 0.000 2.814 487 T HA 0.288 4.641 4.350 0.004 0.000 0.297 487 T C -1.621 173.195 174.700 0.194 0.000 0.956 487 T CA -1.422 60.803 62.100 0.208 0.000 1.123 487 T CB 0.920 69.861 68.868 0.122 0.000 0.902 487 T HN 0.378 nan 8.240 nan 0.000 0.528 488 P HA 0.026 nan 4.420 nan 0.000 0.234 488 P C 1.049 178.328 177.300 -0.034 0.000 1.167 488 P CA 0.354 63.493 63.100 0.065 0.000 0.763 488 P CB 0.345 32.060 31.700 0.024 0.000 0.835 489 R N 0.416 120.857 120.500 -0.098 0.000 2.052 489 R HA 0.054 4.396 4.340 0.004 0.000 0.224 489 R C 2.671 178.856 176.300 -0.192 0.000 1.165 489 R CA 1.398 57.400 56.100 -0.164 0.000 0.939 489 R CB -1.235 28.975 30.300 -0.150 0.000 0.834 489 R HN -0.029 nan 8.270 nan 0.000 0.435 490 R N -0.860 119.456 120.500 -0.307 0.000 2.091 490 R HA -0.152 4.191 4.340 0.004 0.000 0.238 490 R C 1.086 177.002 176.300 -0.641 0.000 1.136 490 R CA 1.944 57.683 56.100 -0.602 0.000 0.959 490 R CB -0.199 29.536 30.300 -0.940 0.000 0.856 490 R HN 0.318 nan 8.270 nan 0.000 0.437 491 W N -0.692 120.561 121.300 -0.079 0.000 3.316 491 W HA 0.255 4.917 4.660 0.004 0.000 0.327 491 W C 1.266 177.751 176.519 -0.057 0.000 1.232 491 W CA -0.607 56.689 57.345 -0.081 0.000 1.805 491 W CB 0.488 29.901 29.460 -0.077 0.000 1.090 491 W HN 0.160 nan 8.180 nan 0.000 0.654 492 L N -2.105 119.176 121.223 0.097 0.000 2.923 492 L HA 0.016 4.358 4.340 0.004 0.000 0.161 492 L C 1.878 178.766 176.870 0.030 0.000 1.202 492 L CA 0.279 55.170 54.840 0.085 0.000 0.920 492 L CB -0.663 41.473 42.059 0.128 0.000 1.773 492 L HN -0.332 nan 8.230 nan 0.000 0.532 493 V N 1.493 121.407 119.914 0.001 0.000 2.324 493 V HA -0.336 3.786 4.120 0.004 0.000 0.250 493 V C 2.308 178.380 176.094 -0.037 0.000 1.060 493 V CA 2.400 64.693 62.300 -0.012 0.000 1.042 493 V CB -0.451 31.338 31.823 -0.057 0.000 0.650 493 V HN 0.420 nan 8.190 nan 0.000 0.450 494 L N 0.287 121.457 121.223 -0.089 0.000 2.049 494 L HA -0.151 4.191 4.340 0.004 0.000 0.203 494 L C 2.597 179.398 176.870 -0.116 0.000 1.074 494 L CA 2.200 56.966 54.840 -0.123 0.000 0.749 494 L CB -0.249 41.687 42.059 -0.206 0.000 0.907 494 L HN 0.638 nan 8.230 nan 0.000 0.439 495 C N -1.489 117.732 119.300 -0.130 0.000 2.464 495 C HA 0.098 4.560 4.460 0.004 0.000 0.278 495 C C 1.392 176.361 174.990 -0.035 0.000 1.375 495 C CA -0.127 58.834 59.018 -0.095 0.000 1.761 495 C CB -1.044 26.640 27.740 -0.094 0.000 1.944 495 C HN 0.558 nan 8.230 nan 0.000 0.509 496 N N 1.355 120.048 118.700 -0.012 0.000 2.757 496 N HA 0.288 5.030 4.740 0.004 0.000 0.296 496 N C -1.721 173.800 175.510 0.017 0.000 1.874 496 N CA -1.596 51.459 53.050 0.008 0.000 0.885 496 N CB 0.608 39.110 38.487 0.024 0.000 1.242 496 N HN 0.325 nan 8.380 nan 0.000 0.488 497 P HA -0.073 nan 4.420 nan 0.000 0.218 497 P C 1.418 178.732 177.300 0.024 0.000 1.148 497 P CA 0.895 64.006 63.100 0.018 0.000 0.822 497 P CB 0.223 31.927 31.700 0.006 0.000 0.784 498 G N 0.569 109.379 108.800 0.015 0.000 2.440 498 G HA2 -0.257 3.705 3.960 0.004 0.000 0.218 498 G HA3 -0.257 3.705 3.960 0.004 0.000 0.218 498 G C 1.492 176.399 174.900 0.012 0.000 1.154 498 G CA 0.650 45.756 45.100 0.010 0.000 0.767 498 G HN 0.242 nan 8.290 nan 0.000 0.552 499 L N 1.136 122.369 121.223 0.017 0.000 2.109 499 L HA 0.335 4.677 4.340 0.004 0.000 0.207 499 L C 3.022 179.916 176.870 0.040 0.000 1.086 499 L CA 1.734 56.583 54.840 0.016 0.000 0.760 499 L CB -0.709 41.360 42.059 0.017 0.000 0.910 499 L HN 0.233 nan 8.230 nan 0.000 0.437 500 A N -0.966 121.901 122.820 0.078 0.000 1.933 500 A HA -0.238 4.084 4.320 0.004 0.000 0.218 500 A C 2.290 179.958 177.584 0.141 0.000 1.175 500 A CA 1.711 53.844 52.037 0.160 0.000 0.628 500 A CB -0.555 18.547 19.000 0.171 0.000 0.814 500 A HN 0.562 nan 8.150 nan 0.000 0.444 501 E N 0.089 120.337 120.200 0.081 0.000 2.028 501 E HA -0.182 4.171 4.350 0.004 0.000 0.191 501 E C 1.950 178.579 176.600 0.048 0.000 0.988 501 E CA 1.569 58.006 56.400 0.062 0.000 0.799 501 E CB -0.316 29.406 29.700 0.037 0.000 0.755 501 E HN 0.779 nan 8.360 nan 0.000 0.447 502 I N -1.322 119.270 120.570 0.036 0.000 2.394 502 I HA -0.178 3.994 4.170 0.004 0.000 0.251 502 I C 2.196 178.348 176.117 0.059 0.000 1.136 502 I CA 1.111 62.440 61.300 0.048 0.000 1.425 502 I CB -0.313 37.706 38.000 0.032 0.000 1.079 502 I HN 0.064 nan 8.210 nan 0.000 0.425 503 I N 1.960 122.542 120.570 0.019 0.000 2.163 503 I HA -0.213 3.960 4.170 0.004 0.000 0.240 503 I C 2.894 178.934 176.117 -0.130 0.000 1.081 503 I CA 1.458 62.686 61.300 -0.120 0.000 1.353 503 I CB -0.462 37.347 38.000 -0.317 0.000 1.054 503 I HN 0.310 nan 8.210 nan 0.000 0.407 504 A N -0.224 122.612 122.820 0.027 0.000 2.178 504 A HA -0.178 4.145 4.320 0.004 0.000 0.218 504 A C 2.141 179.755 177.584 0.050 0.000 1.157 504 A CA 1.257 53.377 52.037 0.137 0.000 0.689 504 A CB -0.541 18.599 19.000 0.232 0.000 0.787 504 A HN 0.444 nan 8.150 nan 0.000 0.465 505 E N -0.733 119.469 120.200 0.004 0.000 2.216 505 E HA -0.121 4.231 4.350 0.004 0.000 0.192 505 E C 1.993 178.556 176.600 -0.061 0.000 0.988 505 E CA 0.496 56.888 56.400 -0.014 0.000 0.834 505 E CB 0.077 29.771 29.700 -0.010 0.000 0.772 505 E HN 0.436 nan 8.360 nan 0.000 0.479 506 R N 0.293 120.701 120.500 -0.153 0.000 2.051 506 R HA 0.066 4.408 4.340 0.004 0.000 0.218 506 R C 2.358 178.606 176.300 -0.087 0.000 1.188 506 R CA 0.813 56.765 56.100 -0.246 0.000 0.992 506 R CB -0.770 29.069 30.300 -0.769 0.000 0.883 506 R HN 0.245 nan 8.270 nan 0.000 0.444 507 I N -2.003 118.514 120.570 -0.088 0.000 3.928 507 I HA 0.414 4.586 4.170 0.004 0.000 0.335 507 I C 0.560 176.718 176.117 0.068 0.000 1.325 507 I CA 0.204 61.502 61.300 -0.002 0.000 1.107 507 I CB 0.262 38.246 38.000 -0.027 0.000 1.014 507 I HN 0.224 nan 8.210 nan 0.000 0.400 508 G N 2.225 111.075 108.800 0.082 0.000 2.693 508 G HA2 -0.239 3.723 3.960 0.004 0.000 0.226 508 G HA3 -0.239 3.723 3.960 0.004 0.000 0.226 508 G C 0.055 175.098 174.900 0.238 0.000 1.354 508 G CA 0.216 45.389 45.100 0.122 0.000 0.873 508 G HN 0.496 nan 8.290 nan 0.000 0.562 509 E N 0.193 120.482 120.200 0.147 0.000 2.481 509 E HA 0.131 4.484 4.350 0.004 0.000 0.198 509 E C 1.809 178.348 176.600 -0.102 0.000 1.027 509 E CA 0.545 56.971 56.400 0.044 0.000 0.900 509 E CB 0.355 30.064 29.700 0.015 0.000 0.993 509 E HN 0.641 nan 8.360 nan 0.000 0.482 510 E N 0.360 120.575 120.200 0.025 0.000 2.268 510 E HA -0.199 4.153 4.350 0.004 0.000 0.195 510 E C 1.602 178.175 176.600 -0.045 0.000 0.995 510 E CA 0.919 57.316 56.400 -0.005 0.000 0.836 510 E CB -0.472 29.254 29.700 0.044 0.000 0.763 510 E HN 0.512 nan 8.360 nan 0.000 0.491 511 Y N -0.077 120.220 120.300 -0.005 0.000 2.256 511 Y HA -0.149 4.404 4.550 0.004 0.000 0.288 511 Y C 1.830 177.703 175.900 -0.045 0.000 1.155 511 Y CA 0.759 58.850 58.100 -0.014 0.000 1.203 511 Y CB -0.645 37.812 38.460 -0.005 0.000 0.980 511 Y HN -0.062 nan 8.280 nan 0.000 0.530 512 I N 0.187 120.237 120.570 -0.866 0.000 2.248 512 I HA -0.280 3.893 4.170 0.004 0.000 0.248 512 I C 2.011 177.866 176.117 -0.436 0.000 1.107 512 I CA 2.024 62.892 61.300 -0.720 0.000 1.373 512 I CB -0.367 37.126 38.000 -0.844 0.000 1.055 512 I HN 0.345 nan 8.210 nan 0.000 0.418 513 S N -0.586 114.934 115.700 -0.300 0.000 2.526 513 S HA 0.125 4.597 4.470 0.004 0.000 0.245 513 S C -0.190 174.376 174.600 -0.057 0.000 1.103 513 S CA -0.280 57.827 58.200 -0.156 0.000 1.095 513 S CB -0.429 62.736 63.200 -0.059 0.000 0.826 513 S HN 0.425 nan 8.310 nan 0.000 0.468 514 D N 0.607 120.984 120.400 -0.038 0.000 4.100 514 D HA -0.015 4.627 4.640 0.004 0.000 0.215 514 D C 0.340 176.673 176.300 0.056 0.000 1.464 514 D CA -0.281 53.727 54.000 0.013 0.000 1.161 514 D CB -0.835 39.976 40.800 0.019 0.000 1.250 514 D HN 0.292 nan 8.370 nan 0.000 0.864 515 L N 0.723 121.985 121.223 0.064 0.000 2.447 515 L HA -0.010 4.332 4.340 0.004 0.000 0.225 515 L C 1.518 178.448 176.870 0.100 0.000 1.148 515 L CA 1.622 56.533 54.840 0.119 0.000 0.808 515 L CB -0.082 42.045 42.059 0.112 0.000 0.928 515 L HN 0.241 nan 8.230 nan 0.000 0.448 516 D N -0.823 119.614 120.400 0.061 0.000 2.263 516 D HA -0.201 4.442 4.640 0.004 0.000 0.208 516 D C 1.859 178.186 176.300 0.046 0.000 0.971 516 D CA 0.832 54.855 54.000 0.039 0.000 0.867 516 D CB 0.132 40.941 40.800 0.014 0.000 0.929 516 D HN 0.572 nan 8.370 nan 0.000 0.492 517 Q N 0.039 119.881 119.800 0.070 0.000 2.364 517 Q HA -0.055 4.287 4.340 0.004 0.000 0.209 517 Q C 2.244 178.267 176.000 0.039 0.000 0.977 517 Q CA 0.252 56.095 55.803 0.066 0.000 0.885 517 Q CB 0.040 28.842 28.738 0.106 0.000 0.941 517 Q HN 0.373 nan 8.270 nan 0.000 0.464 518 L N 0.231 121.475 121.223 0.035 0.000 2.353 518 L HA -0.183 4.159 4.340 0.004 0.000 0.220 518 L C 2.252 179.125 176.870 0.004 0.000 1.133 518 L CA 0.544 55.376 54.840 -0.014 0.000 0.798 518 L CB -0.386 41.676 42.059 0.005 0.000 0.922 518 L HN 0.212 nan 8.230 nan 0.000 0.445 519 R N 0.855 121.366 120.500 0.017 0.000 2.133 519 R HA -0.199 4.143 4.340 0.004 0.000 0.247 519 R C 2.017 178.322 176.300 0.008 0.000 1.151 519 R CA 1.343 57.452 56.100 0.014 0.000 0.971 519 R CB -0.416 29.890 30.300 0.010 0.000 0.866 519 R HN 0.447 nan 8.270 nan 0.000 0.447 520 K N 0.256 120.659 120.400 0.005 0.000 2.360 520 K HA -0.096 4.227 4.320 0.004 0.000 0.201 520 K C 1.635 178.251 176.600 0.028 0.000 1.046 520 K CA 0.569 56.861 56.287 0.009 0.000 0.945 520 K CB -0.064 32.448 32.500 0.020 0.000 0.750 520 K HN -0.019 nan 8.250 nan 0.000 0.464 521 L N 0.643 121.873 121.223 0.011 0.000 2.465 521 L HA -0.087 4.256 4.340 0.004 0.000 0.224 521 L C 1.558 178.461 176.870 0.054 0.000 1.145 521 L CA 1.028 55.873 54.840 0.009 0.000 0.834 521 L CB -0.397 41.650 42.059 -0.021 0.000 0.944 521 L HN 0.143 nan 8.230 nan 0.000 0.451 522 L N -1.180 120.062 121.223 0.032 0.000 2.265 522 L HA -0.107 4.236 4.340 0.004 0.000 0.215 522 L C 2.376 179.240 176.870 -0.011 0.000 1.117 522 L CA 1.159 56.012 54.840 0.022 0.000 0.782 522 L CB -1.410 40.653 42.059 0.007 0.000 0.914 522 L HN 0.282 nan 8.230 nan 0.000 0.441 523 S N -1.577 114.084 115.700 -0.064 0.000 2.406 523 S HA -0.110 4.363 4.470 0.004 0.000 0.228 523 S C 1.554 176.006 174.600 -0.247 0.000 1.020 523 S CA 0.652 58.736 58.200 -0.193 0.000 0.965 523 S CB -0.307 62.693 63.200 -0.333 0.000 0.798 523 S HN 0.411 nan 8.310 nan 0.000 0.488 524 Y N 1.089 121.306 120.300 -0.138 0.000 2.461 524 Y HA 0.229 4.781 4.550 0.004 0.000 0.277 524 Y C 1.856 177.794 175.900 0.065 0.000 1.182 524 Y CA -0.420 57.598 58.100 -0.137 0.000 1.276 524 Y CB -0.371 37.765 38.460 -0.540 0.000 1.087 524 Y HN 0.016 nan 8.280 nan 0.000 0.519 525 V N -0.095 119.919 119.914 0.167 0.000 2.568 525 V HA -0.258 3.864 4.120 0.004 0.000 0.253 525 V C 0.824 176.999 176.094 0.136 0.000 1.072 525 V CA 1.867 64.267 62.300 0.167 0.000 1.084 525 V CB -0.210 31.667 31.823 0.090 0.000 0.676 525 V HN 0.401 nan 8.190 nan 0.000 0.469 526 D N -0.235 120.224 120.400 0.099 0.000 2.772 526 D HA 0.145 4.787 4.640 0.004 0.000 0.272 526 D C -0.046 176.306 176.300 0.087 0.000 1.314 526 D CA 0.056 54.099 54.000 0.072 0.000 0.835 526 D CB 0.349 41.166 40.800 0.029 0.000 1.080 526 D HN 0.368 nan 8.370 nan 0.000 0.482 527 D N 1.492 121.988 120.400 0.161 0.000 2.414 527 D HA 0.044 4.687 4.640 0.004 0.000 0.232 527 D C 1.121 177.530 176.300 0.182 0.000 1.070 527 D CA -0.277 53.836 54.000 0.188 0.000 0.839 527 D CB 1.532 42.526 40.800 0.324 0.000 1.079 527 D HN -0.201 nan 8.370 nan 0.000 0.521 528 E N 2.706 122.975 120.200 0.114 0.000 2.058 528 E HA -0.185 4.167 4.350 0.004 0.000 0.194 528 E C 1.741 178.390 176.600 0.083 0.000 0.997 528 E CA 1.088 57.535 56.400 0.079 0.000 0.801 528 E CB -0.194 29.536 29.700 0.050 0.000 0.746 528 E HN 0.658 nan 8.360 nan 0.000 0.450 529 A N 0.974 123.857 122.820 0.106 0.000 1.865 529 A HA -0.210 4.112 4.320 0.004 0.000 0.217 529 A C 2.161 179.813 177.584 0.113 0.000 1.191 529 A CA 1.633 53.727 52.037 0.096 0.000 0.623 529 A CB -0.988 18.076 19.000 0.107 0.000 0.826 529 A HN 0.289 nan 8.150 nan 0.000 0.444 530 F N 0.616 120.578 119.950 0.020 0.000 2.126 530 F HA -0.162 4.367 4.527 0.003 0.000 0.299 530 F C 2.004 177.803 175.800 -0.003 0.000 1.096 530 F CA 1.526 59.516 58.000 -0.017 0.000 1.255 530 F CB -0.334 38.658 39.000 -0.013 0.000 0.997 530 F HN 0.197 nan 8.300 nan 0.000 0.479 531 I N 0.832 121.393 120.570 -0.015 0.000 2.127 531 I HA -0.372 3.801 4.170 0.004 0.000 0.241 531 I C 2.683 178.717 176.117 -0.139 0.000 1.075 531 I CA 2.057 63.294 61.300 -0.104 0.000 1.334 531 I CB -0.583 37.425 38.000 0.013 0.000 1.040 531 I HN 0.168 nan 8.210 nan 0.000 0.405 532 R N 0.556 121.011 120.500 -0.074 0.000 2.148 532 R HA -0.142 4.200 4.340 0.004 0.000 0.227 532 R C 1.537 177.777 176.300 -0.100 0.000 1.103 532 R CA 1.643 57.701 56.100 -0.070 0.000 0.983 532 R CB -0.584 29.696 30.300 -0.034 0.000 0.874 532 R HN 0.234 nan 8.270 nan 0.000 0.451 533 D N 0.974 121.295 120.400 -0.132 0.000 2.097 533 D HA -0.105 4.537 4.640 0.004 0.000 0.195 533 D C 2.054 178.227 176.300 -0.211 0.000 0.989 533 D CA 1.396 55.308 54.000 -0.147 0.000 0.827 533 D CB -0.130 40.599 40.800 -0.120 0.000 0.966 533 D HN 0.059 nan 8.370 nan 0.000 0.456 534 V N 1.264 120.957 119.914 -0.368 0.000 2.233 534 V HA -0.286 3.836 4.120 0.004 0.000 0.247 534 V C 2.501 178.503 176.094 -0.154 0.000 1.050 534 V CA 2.029 64.136 62.300 -0.323 0.000 1.010 534 V CB -0.987 30.568 31.823 -0.447 0.000 0.637 534 V HN 0.227 nan 8.190 nan 0.000 0.444 535 A N -0.446 122.300 122.820 -0.123 0.000 1.986 535 A HA -0.337 3.985 4.320 0.004 0.000 0.220 535 A C 2.286 179.829 177.584 -0.067 0.000 1.171 535 A CA 2.527 54.523 52.037 -0.068 0.000 0.640 535 A CB -0.542 18.418 19.000 -0.066 0.000 0.811 535 A HN 0.565 nan 8.150 nan 0.000 0.451 536 K N -0.668 119.687 120.400 -0.075 0.000 2.057 536 K HA -0.034 4.288 4.320 0.004 0.000 0.206 536 K C 1.770 178.342 176.600 -0.047 0.000 1.050 536 K CA 1.395 57.648 56.287 -0.058 0.000 0.935 536 K CB -0.227 32.241 32.500 -0.053 0.000 0.715 536 K HN 0.214 nan 8.250 nan 0.000 0.439 537 V N 1.362 121.245 119.914 -0.052 0.000 2.307 537 V HA -0.232 3.890 4.120 0.004 0.000 0.245 537 V C 2.267 178.347 176.094 -0.023 0.000 1.045 537 V CA 1.949 64.228 62.300 -0.034 0.000 1.024 537 V CB -0.507 31.294 31.823 -0.037 0.000 0.651 537 V HN 0.332 nan 8.190 nan 0.000 0.449 538 K N 0.805 121.191 120.400 -0.024 0.000 2.044 538 K HA -0.287 4.036 4.320 0.004 0.000 0.210 538 K C 2.223 178.799 176.600 -0.041 0.000 1.049 538 K CA 2.273 58.555 56.287 -0.009 0.000 0.927 538 K CB -0.616 31.897 32.500 0.021 0.000 0.713 538 K HN 0.523 nan 8.250 nan 0.000 0.443 539 Q N 0.048 119.814 119.800 -0.057 0.000 2.124 539 Q HA -0.152 4.191 4.340 0.004 0.000 0.202 539 Q C 1.776 177.747 176.000 -0.048 0.000 0.977 539 Q CA 1.937 57.693 55.803 -0.078 0.000 0.850 539 Q CB -0.026 28.669 28.738 -0.071 0.000 0.901 539 Q HN 0.507 nan 8.270 nan 0.000 0.429 540 E N -0.308 119.878 120.200 -0.024 0.000 2.107 540 E HA -0.114 4.238 4.350 0.004 0.000 0.191 540 E C 1.585 178.201 176.600 0.026 0.000 0.982 540 E CA 1.122 57.522 56.400 0.000 0.000 0.809 540 E CB 0.068 29.769 29.700 0.001 0.000 0.756 540 E HN 0.489 nan 8.360 nan 0.000 0.459 541 N N 0.381 119.095 118.700 0.024 0.000 2.166 541 N HA -0.156 4.586 4.740 0.004 0.000 0.186 541 N C 1.541 177.122 175.510 0.118 0.000 1.019 541 N CA 0.875 53.960 53.050 0.058 0.000 0.856 541 N CB 0.044 38.553 38.487 0.037 0.000 0.993 541 N HN 0.011 nan 8.380 nan 0.000 0.426 542 K N 0.310 120.739 120.400 0.048 0.000 2.148 542 K HA -0.027 4.296 4.320 0.004 0.000 0.204 542 K C 1.616 178.313 176.600 0.162 0.000 1.050 542 K CA 0.552 56.874 56.287 0.058 0.000 0.942 542 K CB 0.077 32.341 32.500 -0.394 0.000 0.724 542 K HN 0.059 nan 8.250 nan 0.000 0.446 543 L N 1.551 122.822 121.223 0.079 0.000 2.027 543 L HA -0.140 4.202 4.340 0.004 0.000 0.206 543 L C 1.948 178.894 176.870 0.128 0.000 1.074 543 L CA 1.786 56.678 54.840 0.086 0.000 0.745 543 L CB -0.743 41.341 42.059 0.041 0.000 0.898 543 L HN 0.000 nan 8.230 nan 0.000 0.433 544 K N -1.097 119.385 120.400 0.137 0.000 2.020 544 K HA -0.243 4.079 4.320 0.004 0.000 0.212 544 K C 2.007 178.745 176.600 0.229 0.000 1.050 544 K CA 1.667 58.048 56.287 0.157 0.000 0.929 544 K CB -0.508 32.076 32.500 0.141 0.000 0.714 544 K HN 0.066 nan 8.250 nan 0.000 0.443 545 F N 0.814 120.849 119.950 0.143 0.000 2.146 545 F HA -0.117 4.412 4.527 0.004 0.000 0.298 545 F C 2.053 177.993 175.800 0.234 0.000 1.096 545 F CA 1.269 59.379 58.000 0.183 0.000 1.275 545 F CB -0.570 38.545 39.000 0.191 0.000 1.008 545 F HN 0.033 nan 8.300 nan 0.000 0.480 546 A N 0.146 123.120 122.820 0.256 0.000 1.940 546 A HA -0.129 4.193 4.320 0.004 0.000 0.219 546 A C 2.395 179.985 177.584 0.011 0.000 1.176 546 A CA 1.939 54.050 52.037 0.123 0.000 0.631 546 A CB -1.491 17.625 19.000 0.194 0.000 0.814 546 A HN 0.474 nan 8.150 nan 0.000 0.446 547 A N -1.292 121.556 122.820 0.047 0.000 1.855 547 A HA -0.061 4.261 4.320 0.004 0.000 0.215 547 A C 2.121 179.705 177.584 -0.001 0.000 1.191 547 A CA 1.583 53.636 52.037 0.027 0.000 0.613 547 A CB -1.022 18.011 19.000 0.055 0.000 0.829 547 A HN 0.768 nan 8.150 nan 0.000 0.442 548 Y N 0.109 120.341 120.300 -0.114 0.000 2.069 548 Y HA -0.279 4.273 4.550 0.004 0.000 0.278 548 Y C 1.999 177.777 175.900 -0.203 0.000 1.175 548 Y CA 2.082 60.089 58.100 -0.156 0.000 1.134 548 Y CB -0.483 37.864 38.460 -0.188 0.000 0.965 548 Y HN 0.221 nan 8.280 nan 0.000 0.498 549 L N 1.047 122.168 121.223 -0.170 0.000 1.943 549 L HA -0.259 4.083 4.340 0.004 0.000 0.215 549 L C 2.415 179.233 176.870 -0.087 0.000 1.074 549 L CA 2.297 57.050 54.840 -0.144 0.000 0.759 549 L CB -1.410 40.508 42.059 -0.235 0.000 0.888 549 L HN 0.349 nan 8.230 nan 0.000 0.433 550 E N -1.036 119.119 120.200 -0.074 0.000 2.236 550 E HA -0.333 4.019 4.350 0.004 0.000 0.205 550 E C 2.127 178.692 176.600 -0.059 0.000 1.028 550 E CA 1.481 57.857 56.400 -0.041 0.000 0.827 550 E CB -0.095 29.588 29.700 -0.029 0.000 0.735 550 E HN 0.307 nan 8.360 nan 0.000 0.470 551 R N 1.335 121.761 120.500 -0.124 0.000 2.234 551 R HA -0.124 4.218 4.340 0.004 0.000 0.209 551 R C 0.209 176.395 176.300 -0.189 0.000 1.077 551 R CA 1.495 57.498 56.100 -0.160 0.000 0.866 551 R CB -0.014 30.151 30.300 -0.226 0.000 0.764 551 R HN -0.043 nan 8.270 nan 0.000 0.459 552 E N -0.142 119.863 120.200 -0.326 0.000 2.373 552 E HA 0.102 4.454 4.350 0.004 0.000 0.263 552 E C -1.055 175.299 176.600 -0.409 0.000 1.073 552 E CA 0.026 56.183 56.400 -0.406 0.000 0.894 552 E CB 0.142 29.503 29.700 -0.566 0.000 1.008 552 E HN 0.298 nan 8.360 nan 0.000 0.420 553 Y N -0.695 119.569 120.300 -0.059 0.000 2.944 553 Y HA -0.198 4.355 4.550 0.004 0.000 0.136 553 Y C -0.600 175.279 175.900 -0.035 0.000 1.830 553 Y CA -0.185 57.897 58.100 -0.031 0.000 0.957 553 Y CB -1.910 36.528 38.460 -0.035 0.000 1.558 553 Y HN 0.345 nan 8.280 nan 0.000 0.345 554 K N 1.325 121.777 120.400 0.085 0.000 2.199 554 K HA 0.440 4.762 4.320 0.004 0.000 0.226 554 K C -0.029 176.628 176.600 0.096 0.000 1.237 554 K CA 0.063 56.386 56.287 0.060 0.000 1.170 554 K CB -0.072 32.451 32.500 0.037 0.000 1.418 554 K HN 0.414 nan 8.250 nan 0.000 0.255 555 V N -2.524 117.445 119.914 0.090 0.000 2.914 555 V HA 0.366 4.488 4.120 0.004 0.000 0.314 555 V C -0.159 175.984 176.094 0.081 0.000 1.084 555 V CA -1.150 61.202 62.300 0.085 0.000 0.963 555 V CB 1.895 33.742 31.823 0.039 0.000 1.025 555 V HN 0.584 nan 8.190 nan 0.000 0.432 556 H N 4.174 123.255 119.070 0.017 0.000 2.878 556 H HA 0.351 4.909 4.556 0.004 0.000 0.290 556 H C -1.037 174.300 175.328 0.015 0.000 1.065 556 H CA -0.253 55.806 56.048 0.019 0.000 1.477 556 H CB 0.935 30.710 29.762 0.022 0.000 1.484 556 H HN 0.522 nan 8.280 nan 0.000 0.504 557 I N 5.425 125.764 120.570 -0.384 0.000 2.331 557 I HA -0.029 4.143 4.170 0.004 0.000 0.292 557 I C 0.686 176.557 176.117 -0.411 0.000 0.998 557 I CA -0.589 60.557 61.300 -0.257 0.000 1.267 557 I CB 0.846 38.789 38.000 -0.095 0.000 1.386 557 I HN 0.589 nan 8.210 nan 0.000 0.476 558 N N 9.934 128.554 118.700 -0.134 0.000 2.439 558 N HA 0.201 4.943 4.740 0.004 0.000 0.243 558 N C -1.682 173.879 175.510 0.084 0.000 1.088 558 N CA -1.963 51.088 53.050 0.001 0.000 0.940 558 N CB 1.145 39.702 38.487 0.115 0.000 1.180 558 N HN 0.297 nan 8.380 nan 0.000 0.505 559 P HA -0.027 nan 4.420 nan 0.000 0.234 559 P C -0.136 177.093 177.300 -0.119 0.000 1.167 559 P CA 0.905 63.999 63.100 -0.010 0.000 0.763 559 P CB 0.304 31.998 31.700 -0.009 0.000 0.835 560 N N -0.488 118.191 118.700 -0.036 0.000 2.373 560 N HA -0.014 4.728 4.740 0.004 0.000 0.181 560 N C 0.568 176.074 175.510 -0.006 0.000 1.082 560 N CA -0.111 52.921 53.050 -0.030 0.000 0.885 560 N CB 0.014 38.510 38.487 0.015 0.000 0.977 560 N HN 0.138 nan 8.380 nan 0.000 0.462 561 S N 0.563 116.264 115.700 0.002 0.000 2.593 561 S HA 0.109 4.581 4.470 0.004 0.000 0.269 561 S C 0.148 174.674 174.600 -0.123 0.000 1.334 561 S CA -0.836 57.355 58.200 -0.015 0.000 1.015 561 S CB 0.934 64.168 63.200 0.057 0.000 0.912 561 S HN 0.219 nan 8.310 nan 0.000 0.541 562 L N 2.510 123.512 121.223 -0.369 0.000 2.477 562 L HA 0.256 4.598 4.340 0.004 0.000 0.272 562 L C -0.889 175.949 176.870 -0.054 0.000 1.157 562 L CA -0.486 53.984 54.840 -0.618 0.000 0.889 562 L CB -0.276 41.185 42.059 -0.996 0.000 1.158 562 L HN 0.631 nan 8.230 nan 0.000 0.473 563 F N 3.938 123.750 119.950 -0.229 0.000 2.439 563 F HA 0.157 4.686 4.527 0.004 0.000 0.356 563 F C 0.481 176.210 175.800 -0.117 0.000 1.161 563 F CA -0.807 57.124 58.000 -0.115 0.000 1.151 563 F CB -0.037 38.941 39.000 -0.037 0.000 1.222 563 F HN 0.431 nan 8.300 nan 0.000 0.558 564 D N 3.762 124.155 120.400 -0.012 0.000 2.412 564 D HA 0.299 4.941 4.640 0.004 0.000 0.224 564 D C -1.048 175.181 176.300 -0.119 0.000 1.093 564 D CA -0.044 53.904 54.000 -0.087 0.000 0.850 564 D CB 1.214 41.947 40.800 -0.111 0.000 1.046 564 D HN 0.281 nan 8.370 nan 0.000 0.507 565 V N 3.122 122.953 119.914 -0.138 0.000 2.588 565 V HA 0.539 4.662 4.120 0.004 0.000 0.304 565 V C -1.350 174.601 176.094 -0.238 0.000 1.042 565 V CA -0.672 61.533 62.300 -0.157 0.000 0.877 565 V CB 1.794 33.575 31.823 -0.071 0.000 0.996 565 V HN 0.518 nan 8.190 nan 0.000 0.425 566 Q N 4.747 124.423 119.800 -0.207 0.000 2.339 566 Q HA 0.685 5.027 4.340 0.004 0.000 0.268 566 Q C -1.423 174.431 176.000 -0.243 0.000 1.027 566 Q CA -0.716 54.956 55.803 -0.218 0.000 0.759 566 Q CB 1.986 30.621 28.738 -0.172 0.000 1.244 566 Q HN 1.124 nan 8.270 nan 0.000 0.464 567 V N 2.121 121.890 119.914 -0.241 0.000 2.357 567 V HA 0.683 4.806 4.120 0.004 0.000 0.281 567 V C -0.876 175.036 176.094 -0.304 0.000 1.015 567 V CA -0.631 61.396 62.300 -0.455 0.000 0.827 567 V CB 0.649 31.953 31.823 -0.864 0.000 1.018 567 V HN 0.795 nan 8.190 nan 0.000 0.432 568 K N 2.402 122.661 120.400 -0.234 0.000 2.428 568 K HA 0.610 4.932 4.320 0.004 0.000 0.279 568 K C -0.667 175.913 176.600 -0.034 0.000 1.041 568 K CA -1.293 54.944 56.287 -0.084 0.000 0.887 568 K CB 1.976 34.431 32.500 -0.075 0.000 1.535 568 K HN 0.469 nan 8.250 nan 0.000 0.417 569 R N 0.872 121.384 120.500 0.020 0.000 2.638 569 R HA 0.021 4.363 4.340 0.004 0.000 0.268 569 R C -0.081 176.232 176.300 0.020 0.000 1.006 569 R CA -0.117 56.017 56.100 0.058 0.000 1.088 569 R CB 0.201 30.548 30.300 0.078 0.000 0.950 569 R HN 0.451 nan 8.270 nan 0.000 0.419 570 I N 5.641 126.251 120.570 0.067 0.000 2.347 570 I HA 0.138 4.311 4.170 0.004 0.000 0.294 570 I C 0.120 176.261 176.117 0.040 0.000 1.090 570 I CA 0.458 61.773 61.300 0.024 0.000 1.314 570 I CB -0.208 37.813 38.000 0.036 0.000 1.423 570 I HN 0.592 nan 8.210 nan 0.000 0.503 571 H N 4.695 123.688 119.070 -0.128 0.000 3.012 571 H HA 0.243 4.801 4.556 0.004 0.000 0.367 571 H C 0.540 175.725 175.328 -0.237 0.000 1.211 571 H CA -0.408 55.586 56.048 -0.090 0.000 1.139 571 H CB 1.962 31.556 29.762 -0.280 0.000 1.838 571 H HN 0.528 nan 8.280 nan 0.000 0.550 572 E N 1.751 122.076 120.200 0.208 0.000 2.097 572 E HA -0.252 4.101 4.350 0.004 0.000 0.196 572 E C 1.306 177.683 176.600 -0.373 0.000 1.000 572 E CA 2.140 58.539 56.400 -0.002 0.000 0.804 572 E CB -0.059 29.759 29.700 0.197 0.000 0.740 572 E HN 0.602 nan 8.360 nan 0.000 0.454 573 Y N -0.122 119.715 120.300 -0.772 0.000 2.457 573 Y HA 0.131 4.683 4.550 0.003 0.000 0.292 573 Y C 1.874 177.517 175.900 -0.429 0.000 1.125 573 Y CA 0.466 57.914 58.100 -1.087 0.000 1.254 573 Y CB 0.036 37.695 38.460 -1.335 0.000 1.012 573 Y HN -0.220 nan 8.280 nan 0.000 0.555 574 K N 1.086 120.991 120.400 -0.824 0.000 2.217 574 K HA 0.022 4.344 4.320 0.004 0.000 0.202 574 K C 0.468 176.911 176.600 -0.262 0.000 1.051 574 K CA 0.845 56.813 56.287 -0.531 0.000 0.952 574 K CB -0.050 32.140 32.500 -0.516 0.000 0.736 574 K HN 0.350 nan 8.250 nan 0.000 0.453 575 R N -0.370 119.990 120.500 -0.233 0.000 3.644 575 R HA -0.155 4.187 4.340 0.004 0.000 0.308 575 R C 0.622 176.842 176.300 -0.133 0.000 1.161 575 R CA 0.657 56.667 56.100 -0.150 0.000 0.819 575 R CB -1.572 28.655 30.300 -0.121 0.000 1.363 575 R HN 0.341 nan 8.270 nan 0.000 0.479 576 Q N 0.215 119.938 119.800 -0.128 0.000 2.291 576 Q HA -0.146 4.196 4.340 0.004 0.000 0.206 576 Q C 1.674 177.616 176.000 -0.096 0.000 0.976 576 Q CA 1.227 56.966 55.803 -0.107 0.000 0.875 576 Q CB -0.078 28.606 28.738 -0.091 0.000 0.927 576 Q HN 0.619 nan 8.270 nan 0.000 0.450 577 L N 0.138 121.305 121.223 -0.093 0.000 2.191 577 L HA -0.158 4.184 4.340 0.004 0.000 0.212 577 L C 2.270 179.120 176.870 -0.033 0.000 1.103 577 L CA 0.401 55.196 54.840 -0.074 0.000 0.769 577 L CB -0.348 41.675 42.059 -0.060 0.000 0.908 577 L HN 0.184 nan 8.230 nan 0.000 0.438 578 L N 0.119 121.308 121.223 -0.057 0.000 2.017 578 L HA -0.245 4.097 4.340 0.004 0.000 0.208 578 L C 2.087 178.949 176.870 -0.013 0.000 1.073 578 L CA 1.940 56.736 54.840 -0.073 0.000 0.745 578 L CB -0.802 41.094 42.059 -0.271 0.000 0.894 578 L HN 0.294 nan 8.230 nan 0.000 0.432 579 N N -1.667 117.007 118.700 -0.044 0.000 2.104 579 N HA -0.239 4.503 4.740 0.004 0.000 0.190 579 N C 1.939 177.502 175.510 0.088 0.000 1.024 579 N CA 1.549 54.661 53.050 0.102 0.000 0.853 579 N CB -0.121 38.374 38.487 0.014 0.000 1.008 579 N HN 0.480 nan 8.380 nan 0.000 0.424 580 C N 0.456 119.747 119.300 -0.015 0.000 2.413 580 C HA -0.065 4.397 4.460 0.004 0.000 0.277 580 C C 2.557 177.513 174.990 -0.057 0.000 1.265 580 C CA 0.406 59.368 59.018 -0.094 0.000 1.752 580 C CB -1.181 26.452 27.740 -0.178 0.000 1.998 580 C HN 0.503 nan 8.230 nan 0.000 0.489 581 L N -0.746 120.512 121.223 0.059 0.000 2.109 581 L HA -0.136 4.206 4.340 0.004 0.000 0.207 581 L C 2.731 179.747 176.870 0.243 0.000 1.086 581 L CA 1.462 56.387 54.840 0.142 0.000 0.760 581 L CB -0.996 41.207 42.059 0.240 0.000 0.910 581 L HN 0.552 nan 8.230 nan 0.000 0.437 582 H N 0.100 119.277 119.070 0.178 0.000 2.290 582 H HA -0.166 4.392 4.556 0.004 0.000 0.298 582 H C 2.264 177.579 175.328 -0.021 0.000 1.087 582 H CA 2.100 58.177 56.048 0.049 0.000 1.291 582 H CB 0.284 30.033 29.762 -0.021 0.000 1.369 582 H HN 0.075 nan 8.280 nan 0.000 0.492 583 V N 1.552 121.397 119.914 -0.114 0.000 2.324 583 V HA -0.295 3.827 4.120 0.004 0.000 0.250 583 V C 2.753 178.752 176.094 -0.159 0.000 1.060 583 V CA 2.106 64.284 62.300 -0.203 0.000 1.042 583 V CB -0.485 31.246 31.823 -0.153 0.000 0.650 583 V HN 0.408 nan 8.190 nan 0.000 0.450 584 I N -0.516 119.986 120.570 -0.112 0.000 2.439 584 I HA -0.154 4.019 4.170 0.004 0.000 0.251 584 I C 2.428 178.573 176.117 0.045 0.000 1.139 584 I CA 1.354 62.638 61.300 -0.027 0.000 1.438 584 I CB -0.780 37.164 38.000 -0.093 0.000 1.085 584 I HN 0.300 nan 8.210 nan 0.000 0.427 585 T N 1.548 116.102 114.554 0.000 0.000 2.652 585 T HA -0.179 4.173 4.350 0.004 0.000 0.267 585 T C 1.933 176.583 174.700 -0.083 0.000 1.039 585 T CA 1.343 63.441 62.100 -0.002 0.000 1.153 585 T CB -0.384 68.507 68.868 0.038 0.000 0.863 585 T HN 0.103 nan 8.240 nan 0.000 0.428 586 L N 0.110 121.210 121.223 -0.205 0.000 2.013 586 L HA -0.091 4.251 4.340 0.004 0.000 0.212 586 L C 2.209 179.020 176.870 -0.098 0.000 1.073 586 L CA 1.678 56.385 54.840 -0.222 0.000 0.753 586 L CB -0.949 40.894 42.059 -0.360 0.000 0.890 586 L HN 0.314 nan 8.230 nan 0.000 0.432 587 Y N 0.461 120.662 120.300 -0.165 0.000 2.114 587 Y HA -0.328 4.224 4.550 0.004 0.000 0.282 587 Y C 2.478 178.322 175.900 -0.093 0.000 1.165 587 Y CA 2.087 60.119 58.100 -0.114 0.000 1.148 587 Y CB -0.432 37.977 38.460 -0.086 0.000 0.972 587 Y HN 0.315 nan 8.280 nan 0.000 0.504 588 N N 0.365 118.988 118.700 -0.127 0.000 2.104 588 N HA -0.176 4.566 4.740 0.004 0.000 0.190 588 N C 1.919 177.313 175.510 -0.193 0.000 1.024 588 N CA 1.657 54.593 53.050 -0.191 0.000 0.853 588 N CB -0.407 38.049 38.487 -0.051 0.000 1.008 588 N HN 0.349 nan 8.380 nan 0.000 0.424 589 R N 0.379 120.791 120.500 -0.146 0.000 2.092 589 R HA 0.116 4.458 4.340 0.004 0.000 0.231 589 R C 2.229 178.440 176.300 -0.148 0.000 1.119 589 R CA 0.675 56.699 56.100 -0.126 0.000 0.970 589 R CB -0.281 29.955 30.300 -0.107 0.000 0.864 589 R HN 0.246 nan 8.270 nan 0.000 0.440 590 I N 0.533 120.991 120.570 -0.186 0.000 2.252 590 I HA -0.274 3.898 4.170 0.004 0.000 0.245 590 I C 1.979 177.978 176.117 -0.197 0.000 1.102 590 I CA 1.357 62.550 61.300 -0.178 0.000 1.385 590 I CB -0.139 37.760 38.000 -0.168 0.000 1.064 590 I HN 0.085 nan 8.210 nan 0.000 0.414 591 K N 0.465 120.684 120.400 -0.301 0.000 2.211 591 K HA -0.172 4.151 4.320 0.004 0.000 0.203 591 K C 2.102 178.611 176.600 -0.151 0.000 1.050 591 K CA 0.917 57.049 56.287 -0.258 0.000 0.945 591 K CB -0.001 32.267 32.500 -0.387 0.000 0.732 591 K HN 0.209 nan 8.250 nan 0.000 0.451 592 K N 0.800 121.117 120.400 -0.137 0.000 2.186 592 K HA -0.062 4.261 4.320 0.004 0.000 0.202 592 K C 0.118 176.678 176.600 -0.066 0.000 1.052 592 K CA 0.943 57.179 56.287 -0.086 0.000 0.965 592 K CB 0.431 32.885 32.500 -0.076 0.000 0.746 592 K HN -0.089 nan 8.250 nan 0.000 0.457 593 E N -0.132 120.023 120.200 -0.074 0.000 3.626 593 E HA 0.115 4.467 4.350 0.004 0.000 0.245 593 E C -2.270 174.296 176.600 -0.057 0.000 1.236 593 E CA -1.311 55.056 56.400 -0.054 0.000 1.072 593 E CB 1.370 31.042 29.700 -0.046 0.000 1.309 593 E HN 0.061 nan 8.360 nan 0.000 0.400 594 P HA -0.094 nan 4.420 nan 0.000 0.231 594 P C 0.150 177.430 177.300 -0.034 0.000 1.158 594 P CA 0.791 63.858 63.100 -0.055 0.000 0.763 594 P CB 0.381 32.051 31.700 -0.049 0.000 0.805 595 N N -0.818 117.870 118.700 -0.021 0.000 2.236 595 N HA 0.033 4.775 4.740 0.004 0.000 0.196 595 N C 0.627 176.147 175.510 0.016 0.000 1.114 595 N CA 0.083 53.133 53.050 -0.000 0.000 0.859 595 N CB 0.254 38.743 38.487 0.003 0.000 0.982 595 N HN 0.131 nan 8.380 nan 0.000 0.493 596 K N 1.323 121.724 120.400 0.001 0.000 2.448 596 K HA 0.014 4.337 4.320 0.004 0.000 0.278 596 K C -0.147 176.474 176.600 0.035 0.000 1.009 596 K CA -0.223 56.075 56.287 0.019 0.000 0.995 596 K CB 0.416 32.904 32.500 -0.019 0.000 0.917 596 K HN 0.020 nan 8.250 nan 0.000 0.481 597 F N 3.640 123.576 119.950 -0.023 0.000 2.538 597 F HA 0.132 4.661 4.527 0.003 0.000 0.371 597 F C -0.303 175.481 175.800 -0.027 0.000 1.087 597 F CA -0.064 57.923 58.000 -0.022 0.000 1.250 597 F CB 0.580 39.570 39.000 -0.017 0.000 1.110 597 F HN 0.086 nan 8.300 nan 0.000 0.570 598 V N 6.931 126.173 119.914 -1.121 0.000 2.760 598 V HA 0.286 4.408 4.120 0.004 0.000 0.309 598 V C -0.978 174.464 176.094 -1.087 0.000 1.077 598 V CA -0.992 60.818 62.300 -0.816 0.000 0.910 598 V CB 2.210 33.793 31.823 -0.399 0.000 1.008 598 V HN 0.596 nan 8.190 nan 0.000 0.424 599 V N 7.872 127.377 119.914 -0.682 0.000 2.470 599 V HA 0.218 4.340 4.120 0.004 0.000 0.276 599 V C -2.029 173.894 176.094 -0.284 0.000 1.040 599 V CA -1.175 60.896 62.300 -0.381 0.000 1.008 599 V CB 1.039 32.784 31.823 -0.130 0.000 0.990 599 V HN 0.754 nan 8.190 nan 0.000 0.477 600 P HA 0.356 nan 4.420 nan 0.000 0.269 600 P C -0.519 176.691 177.300 -0.151 0.000 1.209 600 P CA -0.185 62.827 63.100 -0.146 0.000 0.776 600 P CB 0.579 32.238 31.700 -0.068 0.000 0.876 601 R N 0.605 121.030 120.500 -0.125 0.000 2.686 601 R HA 0.536 4.878 4.340 0.004 0.000 0.283 601 R C -0.763 175.497 176.300 -0.068 0.000 0.978 601 R CA -0.597 55.430 56.100 -0.122 0.000 0.897 601 R CB 1.811 32.019 30.300 -0.153 0.000 1.192 601 R HN 0.294 nan 8.270 nan 0.000 0.457 602 T N 2.324 116.863 114.554 -0.025 0.000 2.770 602 T HA 0.239 4.592 4.350 0.004 0.000 0.297 602 T C -0.269 174.336 174.700 -0.158 0.000 0.997 602 T CA -0.474 61.564 62.100 -0.103 0.000 0.949 602 T CB 0.939 69.694 68.868 -0.189 0.000 0.941 602 T HN 0.129 nan 8.240 nan 0.000 0.457 603 V N 5.954 125.776 119.914 -0.154 0.000 2.406 603 V HA 0.416 4.538 4.120 0.004 0.000 0.272 603 V C 0.089 176.077 176.094 -0.178 0.000 1.043 603 V CA -0.338 61.872 62.300 -0.150 0.000 0.915 603 V CB 0.711 32.460 31.823 -0.123 0.000 0.988 603 V HN 0.860 nan 8.190 nan 0.000 0.466 604 M N 6.631 126.119 119.600 -0.186 0.000 2.190 604 M HA 0.604 5.086 4.480 0.004 0.000 0.312 604 M C -1.112 175.065 176.300 -0.205 0.000 0.990 604 M CA -0.109 55.066 55.300 -0.209 0.000 0.927 604 M CB 2.022 34.494 32.600 -0.214 0.000 1.571 604 M HN 0.443 nan 8.290 nan 0.000 0.427 605 I N 1.940 122.374 120.570 -0.226 0.000 2.498 605 I HA 0.846 5.018 4.170 0.004 0.000 0.290 605 I C 0.123 175.950 176.117 -0.483 0.000 1.032 605 I CA -0.630 60.527 61.300 -0.237 0.000 1.073 605 I CB 2.304 40.252 38.000 -0.087 0.000 1.251 605 I HN 0.764 nan 8.210 nan 0.000 0.426 606 G N 2.891 111.380 108.800 -0.519 0.000 2.696 606 G HA2 0.834 4.796 3.960 0.004 0.000 0.295 606 G HA3 0.834 4.796 3.960 0.004 0.000 0.295 606 G C -0.979 173.653 174.900 -0.446 0.000 1.398 606 G CA -0.742 43.928 45.100 -0.717 0.000 0.920 606 G HN 1.001 nan 8.290 nan 0.000 0.492 607 G N -0.268 108.414 108.800 -0.197 0.000 2.337 607 G HA2 0.396 4.358 3.960 0.004 0.000 0.310 607 G HA3 0.396 4.358 3.960 0.004 0.000 0.310 607 G C -1.281 173.767 174.900 0.247 0.000 1.534 607 G CA -1.043 44.091 45.100 0.056 0.000 0.982 607 G HN 0.617 nan 8.290 nan 0.000 0.672 608 K N -0.170 120.377 120.400 0.245 0.000 2.118 608 K HA 0.758 5.080 4.320 0.004 0.000 0.254 608 K C 0.057 176.822 176.600 0.275 0.000 0.961 608 K CA -0.347 56.118 56.287 0.296 0.000 0.876 608 K CB 2.251 34.873 32.500 0.204 0.000 1.077 608 K HN 0.881 nan 8.250 nan 0.000 0.440 609 A N 1.379 124.385 122.820 0.309 0.000 2.304 609 A HA 0.587 4.909 4.320 0.004 0.000 0.323 609 A C -0.333 177.427 177.584 0.294 0.000 1.195 609 A CA -0.730 51.437 52.037 0.218 0.000 0.826 609 A CB 0.941 19.995 19.000 0.089 0.000 1.184 609 A HN 0.780 nan 8.150 nan 0.000 0.496 610 A N 4.376 127.373 122.820 0.296 0.000 2.548 610 A HA 0.486 4.809 4.320 0.004 0.000 0.247 610 A C -2.274 175.432 177.584 0.203 0.000 1.067 610 A CA -0.650 51.562 52.037 0.291 0.000 0.757 610 A CB -0.752 18.407 19.000 0.265 0.000 0.996 610 A HN 0.586 nan 8.150 nan 0.000 0.504 611 P HA 0.242 nan 4.420 nan 0.000 0.267 611 P C 1.159 178.509 177.300 0.083 0.000 1.200 611 P CA 1.614 64.715 63.100 0.002 0.000 0.772 611 P CB 0.586 32.235 31.700 -0.085 0.000 0.855 612 G N 1.149 109.994 108.800 0.074 0.000 2.184 612 G HA2 -0.295 3.667 3.960 0.004 0.000 0.264 612 G HA3 -0.295 3.667 3.960 0.004 0.000 0.264 612 G C -0.137 174.883 174.900 0.199 0.000 0.975 612 G CA -0.073 45.092 45.100 0.109 0.000 0.642 612 G HN 0.585 nan 8.290 nan 0.000 0.536 613 Y N 2.425 122.753 120.300 0.047 0.000 2.676 613 Y HA 0.476 5.028 4.550 0.004 0.000 0.338 613 Y C 1.329 177.267 175.900 0.062 0.000 1.057 613 Y CA -1.089 57.037 58.100 0.042 0.000 1.314 613 Y CB -0.427 38.029 38.460 -0.008 0.000 1.164 613 Y HN 0.363 nan 8.280 nan 0.000 0.509 614 H N 4.411 123.556 119.070 0.125 0.000 2.387 614 H HA -0.157 4.401 4.556 0.004 0.000 0.299 614 H C 1.549 176.820 175.328 -0.095 0.000 1.090 614 H CA 2.064 58.119 56.048 0.013 0.000 1.332 614 H CB 0.389 30.185 29.762 0.057 0.000 1.386 614 H HN 0.663 nan 8.280 nan 0.000 0.516 615 M N 1.056 120.537 119.600 -0.199 0.000 2.117 615 M HA -0.045 4.437 4.480 0.004 0.000 0.262 615 M C 2.541 178.538 176.300 -0.504 0.000 1.065 615 M CA 1.789 56.916 55.300 -0.288 0.000 1.114 615 M CB -0.670 31.876 32.600 -0.090 0.000 1.361 615 M HN 0.307 nan 8.290 nan 0.000 0.408 616 A N -0.307 121.962 122.820 -0.919 0.000 1.933 616 A HA -0.193 4.129 4.320 0.004 0.000 0.218 616 A C 2.171 179.567 177.584 -0.313 0.000 1.175 616 A CA 1.876 53.533 52.037 -0.634 0.000 0.628 616 A CB -0.678 17.877 19.000 -0.742 0.000 0.814 616 A HN 0.591 nan 8.150 nan 0.000 0.444 617 K N -1.089 119.155 120.400 -0.259 0.000 2.147 617 K HA -0.095 4.227 4.320 0.004 0.000 0.205 617 K C 1.913 178.481 176.600 -0.054 0.000 1.049 617 K CA 1.388 57.617 56.287 -0.097 0.000 0.936 617 K CB -0.206 32.274 32.500 -0.033 0.000 0.722 617 K HN 0.369 nan 8.250 nan 0.000 0.446 618 M N 0.267 119.773 119.600 -0.156 0.000 2.236 618 M HA -0.032 4.450 4.480 0.004 0.000 0.266 618 M C 2.142 178.390 176.300 -0.085 0.000 1.070 618 M CA 1.312 56.583 55.300 -0.050 0.000 1.137 618 M CB -0.583 31.974 32.600 -0.073 0.000 1.378 618 M HN 0.108 nan 8.290 nan 0.000 0.426 619 I N 0.300 120.774 120.570 -0.160 0.000 2.163 619 I HA -0.331 3.841 4.170 0.004 0.000 0.243 619 I C 2.321 178.309 176.117 -0.215 0.000 1.085 619 I CA 1.313 62.504 61.300 -0.183 0.000 1.347 619 I CB -0.415 37.481 38.000 -0.173 0.000 1.044 619 I HN 0.176 nan 8.210 nan 0.000 0.408 620 I N 0.620 121.051 120.570 -0.232 0.000 2.208 620 I HA -0.321 3.852 4.170 0.004 0.000 0.245 620 I C 2.588 178.446 176.117 -0.431 0.000 1.097 620 I CA 1.352 62.416 61.300 -0.393 0.000 1.363 620 I CB -0.380 37.358 38.000 -0.436 0.000 1.051 620 I HN 0.184 nan 8.210 nan 0.000 0.413 621 K N 1.460 121.646 120.400 -0.356 0.000 2.097 621 K HA -0.131 4.191 4.320 0.004 0.000 0.206 621 K C 2.057 178.503 176.600 -0.257 0.000 1.049 621 K CA 1.327 57.343 56.287 -0.451 0.000 0.933 621 K CB -0.418 31.625 32.500 -0.761 0.000 0.717 621 K HN 0.230 nan 8.250 nan 0.000 0.442 622 L N 0.424 121.480 121.223 -0.278 0.000 2.083 622 L HA -0.137 4.205 4.340 0.004 0.000 0.209 622 L C 2.036 178.641 176.870 -0.442 0.000 1.083 622 L CA 1.543 56.037 54.840 -0.577 0.000 0.752 622 L CB -0.231 41.416 42.059 -0.685 0.000 0.899 622 L HN 0.270 nan 8.230 nan 0.000 0.433 623 I N -0.200 120.175 120.570 -0.325 0.000 2.202 623 I HA -0.305 3.867 4.170 0.004 0.000 0.242 623 I C 2.648 178.642 176.117 -0.204 0.000 1.091 623 I CA 1.821 62.980 61.300 -0.235 0.000 1.368 623 I CB -0.540 37.401 38.000 -0.099 0.000 1.058 623 I HN 0.388 nan 8.210 nan 0.000 0.410 624 T N -0.807 113.614 114.554 -0.221 0.000 2.867 624 T HA -0.059 4.294 4.350 0.004 0.000 0.268 624 T C 1.959 176.591 174.700 -0.114 0.000 1.057 624 T CA 0.951 62.958 62.100 -0.154 0.000 1.136 624 T CB -0.411 68.342 68.868 -0.192 0.000 0.874 624 T HN 0.321 nan 8.240 nan 0.000 0.466 625 A N 1.287 124.031 122.820 -0.128 0.000 1.969 625 A HA 0.209 4.531 4.320 0.004 0.000 0.218 625 A C 2.355 179.943 177.584 0.007 0.000 1.169 625 A CA 1.060 53.092 52.037 -0.008 0.000 0.635 625 A CB -0.759 18.316 19.000 0.125 0.000 0.810 625 A HN 0.590 nan 8.150 nan 0.000 0.445 626 I N -0.258 120.187 120.570 -0.208 0.000 2.226 626 I HA -0.191 3.982 4.170 0.004 0.000 0.245 626 I C 2.683 178.712 176.117 -0.146 0.000 1.100 626 I CA 1.056 62.179 61.300 -0.296 0.000 1.374 626 I CB -0.528 37.163 38.000 -0.515 0.000 1.057 626 I HN 0.391 nan 8.210 nan 0.000 0.413 627 G N 0.428 109.150 108.800 -0.131 0.000 2.440 627 G HA2 -0.272 3.690 3.960 0.004 0.000 0.218 627 G HA3 -0.272 3.690 3.960 0.004 0.000 0.218 627 G C 1.241 176.106 174.900 -0.059 0.000 1.154 627 G CA 1.035 46.072 45.100 -0.105 0.000 0.767 627 G HN 0.276 nan 8.290 nan 0.000 0.552 628 D N -0.106 120.312 120.400 0.029 0.000 2.178 628 D HA -0.071 4.571 4.640 0.004 0.000 0.201 628 D C 2.721 179.129 176.300 0.180 0.000 0.980 628 D CA 0.680 54.771 54.000 0.152 0.000 0.842 628 D CB -0.121 40.760 40.800 0.135 0.000 0.948 628 D HN 0.267 nan 8.370 nan 0.000 0.472 629 V N 0.604 120.575 119.914 0.095 0.000 2.278 629 V HA -0.157 3.966 4.120 0.004 0.000 0.238 629 V C 2.718 178.801 176.094 -0.018 0.000 1.039 629 V CA 1.442 63.779 62.300 0.062 0.000 1.017 629 V CB -0.896 30.932 31.823 0.010 0.000 0.657 629 V HN 0.160 nan 8.190 nan 0.000 0.462 630 V N 0.223 120.036 119.914 -0.169 0.000 2.332 630 V HA -0.245 3.877 4.120 0.004 0.000 0.248 630 V C 1.981 178.023 176.094 -0.087 0.000 1.055 630 V CA 2.605 64.804 62.300 -0.167 0.000 1.038 630 V CB -1.193 30.475 31.823 -0.258 0.000 0.651 630 V HN 0.568 nan 8.190 nan 0.000 0.450 631 N N 0.210 118.791 118.700 -0.198 0.000 2.550 631 N HA -0.029 4.713 4.740 0.004 0.000 0.186 631 N C 1.135 176.364 175.510 -0.469 0.000 1.110 631 N CA 1.499 54.341 53.050 -0.346 0.000 0.912 631 N CB -0.452 37.756 38.487 -0.465 0.000 0.968 631 N HN 0.847 nan 8.380 nan 0.000 0.448 632 H N -1.945 117.149 119.070 0.039 0.000 3.078 632 H HA 0.194 4.753 4.556 0.004 0.000 0.263 632 H C -0.621 174.742 175.328 0.058 0.000 1.177 632 H CA -0.583 55.491 56.048 0.043 0.000 1.128 632 H CB 0.689 30.473 29.762 0.037 0.000 1.623 632 H HN -0.055 nan 8.280 nan 0.000 0.592 633 D N 1.995 122.483 120.400 0.146 0.000 2.339 633 D HA 0.035 4.678 4.640 0.004 0.000 0.256 633 D C -1.549 174.814 176.300 0.105 0.000 1.214 633 D CA -2.264 51.828 54.000 0.153 0.000 0.877 633 D CB 1.525 42.470 40.800 0.242 0.000 1.111 633 D HN 0.109 nan 8.370 nan 0.000 0.478 634 P HA -0.094 nan 4.420 nan 0.000 0.221 634 P C 1.453 178.772 177.300 0.033 0.000 1.150 634 P CA 0.295 63.426 63.100 0.052 0.000 0.800 634 P CB 0.385 32.110 31.700 0.042 0.000 0.787 635 V N -0.521 119.412 119.914 0.032 0.000 2.515 635 V HA -0.155 3.967 4.120 0.004 0.000 0.250 635 V C 2.398 178.489 176.094 -0.005 0.000 1.058 635 V CA 1.447 63.749 62.300 0.004 0.000 1.064 635 V CB -1.024 30.790 31.823 -0.015 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N 0.072 119.999 119.914 0.022 0.000 2.515 636 V HA 0.061 4.184 4.120 0.004 0.000 0.250 636 V C 1.918 178.016 176.094 0.007 0.000 1.058 636 V CA 1.461 63.774 62.300 0.021 0.000 1.064 636 V CB -1.286 30.592 31.823 0.091 0.000 0.675 636 V HN 0.717 nan 8.190 nan 0.000 0.461 637 G N 1.729 110.537 108.800 0.013 0.000 2.596 637 G HA2 -0.379 3.583 3.960 0.004 0.000 0.304 637 G HA3 -0.379 3.583 3.960 0.004 0.000 0.304 637 G C 0.267 175.175 174.900 0.014 0.000 1.189 637 G CA 0.556 45.659 45.100 0.005 0.000 0.986 637 G HN 0.754 nan 8.290 nan 0.000 0.548 638 D N -0.217 120.195 120.400 0.020 0.000 2.788 638 D HA 0.423 5.066 4.640 0.004 0.000 0.289 638 D C 1.427 177.743 176.300 0.028 0.000 1.340 638 D CA -0.270 53.763 54.000 0.055 0.000 0.831 638 D CB 0.380 41.264 40.800 0.139 0.000 1.103 638 D HN 0.419 nan 8.370 nan 0.000 0.476 639 R N -0.276 120.218 120.500 -0.010 0.000 2.153 639 R HA 0.344 4.686 4.340 0.004 0.000 0.218 639 R C 0.335 176.598 176.300 -0.061 0.000 1.072 639 R CA 0.648 56.717 56.100 -0.053 0.000 0.990 639 R CB 0.370 30.619 30.300 -0.086 0.000 0.889 639 R HN 0.238 nan 8.270 nan 0.000 0.452 640 L N 0.475 121.676 121.223 -0.036 0.000 2.445 640 L HA 0.534 4.876 4.340 0.004 0.000 0.262 640 L C -1.298 175.543 176.870 -0.047 0.000 0.974 640 L CA -0.929 53.882 54.840 -0.049 0.000 0.822 640 L CB 1.781 43.822 42.059 -0.030 0.000 1.339 640 L HN 0.052 nan 8.230 nan 0.000 0.409 641 R N 2.960 123.415 120.500 -0.076 0.000 2.626 641 R HA 0.556 4.899 4.340 0.004 0.000 0.274 641 R C -1.671 174.550 176.300 -0.131 0.000 1.031 641 R CA -0.668 55.372 56.100 -0.100 0.000 0.898 641 R CB 2.497 32.743 30.300 -0.090 0.000 1.222 641 R HN 0.320 nan 8.270 nan 0.000 0.455 642 V N 4.550 124.377 119.914 -0.145 0.000 2.376 642 V HA 0.470 4.592 4.120 0.004 0.000 0.287 642 V C -0.263 175.738 176.094 -0.155 0.000 1.015 642 V CA -0.702 61.508 62.300 -0.151 0.000 0.834 642 V CB 1.450 33.180 31.823 -0.154 0.000 1.001 642 V HN 0.517 nan 8.190 nan 0.000 0.428 643 I N 5.022 125.480 120.570 -0.187 0.000 2.404 643 I HA 0.436 4.608 4.170 0.004 0.000 0.293 643 I C -0.493 175.507 176.117 -0.194 0.000 0.992 643 I CA -0.361 60.790 61.300 -0.248 0.000 1.149 643 I CB 1.693 39.457 38.000 -0.393 0.000 1.315 643 I HN 0.548 nan 8.210 nan 0.000 0.446 644 F N 6.947 126.737 119.950 -0.266 0.000 2.411 644 F HA 0.507 5.036 4.527 0.004 0.000 0.355 644 F C -0.478 175.216 175.800 -0.176 0.000 1.117 644 F CA -0.495 57.399 58.000 -0.178 0.000 1.139 644 F CB 0.537 39.479 39.000 -0.097 0.000 1.120 644 F HN 0.217 nan 8.300 nan 0.000 0.493 645 L N 6.276 127.008 121.223 -0.818 0.000 2.325 645 L HA 0.212 4.554 4.340 0.004 0.000 0.284 645 L C 0.251 176.941 176.870 -0.300 0.000 1.089 645 L CA -0.140 54.459 54.840 -0.401 0.000 0.836 645 L CB 0.632 42.550 42.059 -0.234 0.000 1.184 645 L HN 0.650 nan 8.230 nan 0.000 0.444 646 E N 4.027 124.373 120.200 0.242 0.000 2.331 646 E HA -0.008 4.344 4.350 0.004 0.000 0.272 646 E C 0.229 176.999 176.600 0.284 0.000 1.036 646 E CA -0.504 56.120 56.400 0.372 0.000 0.864 646 E CB 0.539 30.513 29.700 0.456 0.000 1.035 646 E HN 0.540 nan 8.360 nan 0.000 0.408 647 N N 2.817 121.687 118.700 0.284 0.000 2.696 647 N HA -0.281 4.461 4.740 0.004 0.000 0.256 647 N C -1.664 173.957 175.510 0.185 0.000 1.031 647 N CA 0.510 53.691 53.050 0.218 0.000 0.730 647 N CB -1.419 37.176 38.487 0.181 0.000 0.894 647 N HN 0.481 nan 8.380 nan 0.000 0.544 648 Y N 1.848 122.182 120.300 0.056 0.000 2.620 648 Y HA 0.260 4.812 4.550 0.004 0.000 0.330 648 Y C 1.072 176.989 175.900 0.028 0.000 1.186 648 Y CA 0.481 58.591 58.100 0.018 0.000 1.467 648 Y CB 0.372 38.819 38.460 -0.021 0.000 1.262 648 Y HN 0.421 nan 8.280 nan 0.000 0.550 649 R N 2.770 122.899 120.500 -0.619 0.000 2.741 649 R HA 0.332 4.674 4.340 0.004 0.000 0.274 649 R C -0.662 175.262 176.300 -0.627 0.000 1.029 649 R CA -0.452 55.346 56.100 -0.505 0.000 0.880 649 R CB 0.282 30.464 30.300 -0.197 0.000 1.264 649 R HN 0.416 nan 8.270 nan 0.000 0.465 650 V N 1.237 120.764 119.914 -0.647 0.000 2.278 650 V HA -0.317 3.805 4.120 0.004 0.000 0.251 650 V C 2.533 178.447 176.094 -0.300 0.000 1.062 650 V CA 2.991 65.000 62.300 -0.484 0.000 1.038 650 V CB -0.880 30.610 31.823 -0.555 0.000 0.646 650 V HN 0.901 nan 8.190 nan 0.000 0.447 651 S N -0.759 114.780 115.700 -0.268 0.000 2.428 651 S HA -0.081 4.391 4.470 0.004 0.000 0.230 651 S C 1.988 176.498 174.600 -0.150 0.000 1.014 651 S CA 1.294 59.376 58.200 -0.196 0.000 0.957 651 S CB -0.393 62.718 63.200 -0.149 0.000 0.784 651 S HN 0.514 nan 8.310 nan 0.000 0.499 652 L N 0.924 122.060 121.223 -0.145 0.000 2.095 652 L HA 0.090 4.433 4.340 0.004 0.000 0.204 652 L C 2.974 179.820 176.870 -0.040 0.000 1.080 652 L CA 1.137 55.936 54.840 -0.068 0.000 0.759 652 L CB -0.921 41.150 42.059 0.020 0.000 0.914 652 L HN 0.469 nan 8.230 nan 0.000 0.439 653 A N 0.818 123.573 122.820 -0.109 0.000 1.917 653 A HA -0.270 4.053 4.320 0.004 0.000 0.219 653 A C 1.928 179.555 177.584 0.072 0.000 1.182 653 A CA 2.092 54.148 52.037 0.033 0.000 0.633 653 A CB -0.630 18.360 19.000 -0.016 0.000 0.819 653 A HN 0.729 nan 8.150 nan 0.000 0.448 654 E N -0.560 119.665 120.200 0.043 0.000 2.511 654 E HA -0.057 4.295 4.350 0.004 0.000 0.196 654 E C 1.477 178.035 176.600 -0.070 0.000 1.066 654 E CA 0.886 57.286 56.400 -0.000 0.000 0.871 654 E CB -0.075 29.492 29.700 -0.221 0.000 0.863 654 E HN 0.643 nan 8.360 nan 0.000 0.520 655 K N 0.472 120.815 120.400 -0.096 0.000 2.214 655 K HA 0.053 4.376 4.320 0.004 0.000 0.201 655 K C 2.079 178.477 176.600 -0.336 0.000 1.049 655 K CA 0.643 56.864 56.287 -0.110 0.000 0.978 655 K CB 0.260 32.724 32.500 -0.062 0.000 0.842 655 K HN -0.014 nan 8.250 nan 0.000 0.474 656 V N 1.716 121.351 119.914 -0.465 0.000 2.591 656 V HA -0.105 4.018 4.120 0.004 0.000 0.249 656 V C 1.816 177.660 176.094 -0.418 0.000 1.053 656 V CA 1.109 62.910 62.300 -0.831 0.000 1.068 656 V CB -0.150 31.317 31.823 -0.594 0.000 0.689 656 V HN 0.221 nan 8.190 nan 0.000 0.462 657 I N 0.927 121.312 120.570 -0.307 0.000 2.127 657 I HA -0.133 4.039 4.170 0.004 0.000 0.241 657 I C -0.171 175.836 176.117 -0.183 0.000 1.075 657 I CA 1.737 62.804 61.300 -0.389 0.000 1.334 657 I CB -1.618 36.038 38.000 -0.573 0.000 1.040 657 I HN 0.352 nan 8.210 nan 0.000 0.405 658 P HA -0.136 nan 4.420 nan 0.000 0.221 658 P C 0.958 178.254 177.300 -0.007 0.000 1.145 658 P CA 1.388 64.464 63.100 -0.039 0.000 0.795 658 P CB -0.020 31.664 31.700 -0.026 0.000 0.775 659 A N -1.290 121.506 122.820 -0.040 0.000 2.275 659 A HA 0.467 4.790 4.320 0.004 0.000 0.212 659 A C 1.175 178.876 177.584 0.194 0.000 1.201 659 A CA 0.141 52.218 52.037 0.066 0.000 0.843 659 A CB -0.649 18.398 19.000 0.079 0.000 0.873 659 A HN 0.207 nan 8.150 nan 0.000 0.492 660 A N -0.063 122.860 122.820 0.172 0.000 2.354 660 A HA 0.489 4.811 4.320 0.004 0.000 0.269 660 A C 0.335 178.080 177.584 0.268 0.000 1.109 660 A CA -0.214 51.983 52.037 0.267 0.000 0.800 660 A CB 0.395 19.620 19.000 0.375 0.000 1.045 660 A HN 0.290 nan 8.150 nan 0.000 0.489 661 D N 0.554 121.115 120.400 0.269 0.000 2.323 661 D HA 0.113 4.755 4.640 0.004 0.000 0.218 661 D C 0.061 176.614 176.300 0.422 0.000 0.973 661 D CA 0.714 54.967 54.000 0.421 0.000 0.890 661 D CB 0.299 41.196 40.800 0.161 0.000 1.011 661 D HN 0.339 nan 8.370 nan 0.000 0.499 662 L N 1.133 122.453 121.223 0.161 0.000 2.356 662 L HA 0.279 4.622 4.340 0.004 0.000 0.277 662 L C -0.768 175.975 176.870 -0.211 0.000 0.996 662 L CA -0.325 54.518 54.840 0.004 0.000 0.822 662 L CB 2.204 44.229 42.059 -0.057 0.000 1.256 662 L HN -0.169 nan 8.230 nan 0.000 0.413 663 S N 4.124 119.607 115.700 -0.362 0.000 2.429 663 S HA 0.324 4.796 4.470 0.004 0.000 0.302 663 S C -0.396 173.934 174.600 -0.449 0.000 1.115 663 S CA -0.672 57.066 58.200 -0.771 0.000 1.095 663 S CB 0.677 63.308 63.200 -0.949 0.000 0.987 663 S HN 0.535 nan 8.310 nan 0.000 0.474 664 E N 4.104 124.058 120.200 -0.409 0.000 2.089 664 E HA 0.204 4.556 4.350 0.004 0.000 0.284 664 E C -0.534 175.973 176.600 -0.155 0.000 1.023 664 E CA -0.394 55.890 56.400 -0.194 0.000 0.819 664 E CB 1.004 30.617 29.700 -0.144 0.000 1.076 664 E HN 0.604 nan 8.360 nan 0.000 0.396 665 Q N 2.840 122.612 119.800 -0.047 0.000 2.965 665 Q HA 0.267 4.609 4.340 0.004 0.000 0.288 665 Q C 0.610 176.645 176.000 0.058 0.000 0.974 665 Q CA -0.120 55.675 55.803 -0.013 0.000 0.849 665 Q CB 0.214 28.951 28.738 -0.002 0.000 1.280 665 Q HN 0.611 nan 8.270 nan 0.000 0.441 666 I N -2.461 118.132 120.570 0.038 0.000 3.654 666 I HA 0.369 4.541 4.170 0.004 0.000 0.337 666 I C -0.139 175.972 176.117 -0.011 0.000 1.568 666 I CA -0.525 60.826 61.300 0.085 0.000 1.115 666 I CB 0.690 38.762 38.000 0.120 0.000 1.300 666 I HN -0.160 nan 8.210 nan 0.000 0.471 667 S N 1.574 117.263 115.700 -0.020 0.000 2.572 667 S HA 0.144 4.616 4.470 0.004 0.000 0.279 667 S C 0.647 175.246 174.600 -0.002 0.000 1.341 667 S CA -0.029 58.172 58.200 0.003 0.000 1.043 667 S CB 0.715 63.961 63.200 0.077 0.000 0.887 667 S HN 0.464 nan 8.310 nan 0.000 0.516 668 T N 3.555 118.132 114.554 0.038 0.000 2.866 668 T HA 0.196 4.549 4.350 0.004 0.000 0.293 668 T C 0.657 175.361 174.700 0.007 0.000 1.005 668 T CA -0.114 62.005 62.100 0.032 0.000 1.162 668 T CB 0.040 68.991 68.868 0.140 0.000 0.968 668 T HN 0.760 nan 8.240 nan 0.000 0.530 669 A N 3.013 125.803 122.820 -0.050 0.000 2.567 669 A HA 0.452 4.774 4.320 0.004 0.000 0.240 669 A C 1.669 179.234 177.584 -0.032 0.000 1.053 669 A CA 0.323 52.327 52.037 -0.055 0.000 0.755 669 A CB -0.731 18.222 19.000 -0.079 0.000 0.978 669 A HN 1.658 nan 8.150 nan 0.000 0.507 670 G N 1.162 109.944 108.800 -0.030 0.000 2.213 670 G HA2 -0.253 3.710 3.960 0.004 0.000 0.236 670 G HA3 -0.253 3.710 3.960 0.004 0.000 0.236 670 G C 0.990 175.864 174.900 -0.043 0.000 0.991 670 G CA 1.054 46.135 45.100 -0.032 0.000 0.629 670 G HN 2.042 nan 8.290 nan 0.000 0.517 671 T N -1.840 112.685 114.554 -0.048 0.000 3.065 671 T HA 0.401 4.754 4.350 0.004 0.000 0.252 671 T C 0.455 175.069 174.700 -0.144 0.000 1.099 671 T CA 0.905 62.921 62.100 -0.140 0.000 1.063 671 T CB 0.492 69.245 68.868 -0.192 0.000 0.948 671 T HN 0.268 nan 8.240 nan 0.000 0.506 672 E N 0.817 120.993 120.200 -0.041 0.000 2.145 672 E HA 0.630 4.982 4.350 0.004 0.000 0.270 672 E C 0.800 177.383 176.600 -0.027 0.000 0.906 672 E CA -0.259 56.133 56.400 -0.012 0.000 0.761 672 E CB 1.779 31.495 29.700 0.027 0.000 1.116 672 E HN 0.264 nan 8.360 nan 0.000 0.408 673 A N 2.887 125.661 122.820 -0.076 0.000 1.845 673 A HA -0.137 4.186 4.320 0.004 0.000 0.215 673 A C 1.696 179.215 177.584 -0.108 0.000 1.195 673 A CA 2.130 54.051 52.037 -0.194 0.000 0.616 673 A CB 0.108 18.785 19.000 -0.537 0.000 0.832 673 A HN 0.527 nan 8.150 nan 0.000 0.443 674 S N -3.800 111.862 115.700 -0.064 0.000 3.697 674 S HA 0.525 4.997 4.470 0.004 0.000 0.184 674 S C 0.087 174.693 174.600 0.010 0.000 1.045 674 S CA 0.952 59.149 58.200 -0.005 0.000 1.330 674 S CB 0.720 63.929 63.200 0.016 0.000 1.393 674 S HN 1.958 nan 8.310 nan 0.000 0.855 675 G N 1.126 109.934 108.800 0.013 0.000 2.314 675 G HA2 -0.006 3.956 3.960 0.004 0.000 0.286 675 G HA3 -0.006 3.956 3.960 0.004 0.000 0.286 675 G C 0.126 175.016 174.900 -0.017 0.000 1.270 675 G CA 0.373 45.475 45.100 0.004 0.000 1.277 675 G HN 0.550 nan 8.290 nan 0.000 0.635 676 T N 0.313 114.853 114.554 -0.025 0.000 2.867 676 T HA 0.004 4.356 4.350 0.004 0.000 0.268 676 T C 2.605 177.218 174.700 -0.145 0.000 1.057 676 T CA 2.868 64.926 62.100 -0.069 0.000 1.136 676 T CB -0.322 68.506 68.868 -0.067 0.000 0.874 676 T HN 1.148 nan 8.240 nan 0.000 0.466 677 G N 0.977 109.711 108.800 -0.110 0.000 2.422 677 G HA2 -0.201 3.761 3.960 0.004 0.000 0.218 677 G HA3 -0.201 3.761 3.960 0.004 0.000 0.218 677 G C 1.555 176.476 174.900 0.035 0.000 1.140 677 G CA 0.806 45.836 45.100 -0.117 0.000 0.775 677 G HN 0.487 nan 8.290 nan 0.000 0.545 678 N N 0.806 119.530 118.700 0.039 0.000 2.037 678 N HA -0.111 4.631 4.740 0.004 0.000 0.196 678 N C 1.476 176.972 175.510 -0.023 0.000 1.034 678 N CA 0.888 53.964 53.050 0.043 0.000 0.861 678 N CB -0.403 38.065 38.487 -0.033 0.000 1.039 678 N HN 0.378 nan 8.380 nan 0.000 0.427 682 M N 0.646 120.310 119.600 0.106 0.000 2.065 682 M HA -0.208 4.274 4.480 0.004 0.000 0.259 682 M C 2.150 178.476 176.300 0.042 0.000 1.071 682 M CA 1.914 57.237 55.300 0.039 0.000 1.109 682 M CB -0.391 32.203 32.600 -0.010 0.000 1.313 682 M HN 0.330 nan 8.290 nan 0.000 0.408 683 L N 0.157 121.402 121.223 0.037 0.000 2.189 683 L HA -0.269 4.074 4.340 0.004 0.000 0.214 683 L C 1.095 177.997 176.870 0.053 0.000 1.097 683 L CA 1.343 56.219 54.840 0.060 0.000 0.764 683 L CB -0.461 41.642 42.059 0.073 0.000 0.900 683 L HN 0.470 nan 8.230 nan 0.000 0.436 684 N N -0.832 117.892 118.700 0.039 0.000 2.214 684 N HA 0.095 4.837 4.740 0.004 0.000 0.214 684 N C 0.953 176.494 175.510 0.052 0.000 1.132 684 N CA 0.850 53.922 53.050 0.036 0.000 0.856 684 N CB 1.183 39.673 38.487 0.005 0.000 1.020 684 N HN 0.409 nan 8.380 nan 0.000 0.509 685 G N 0.420 109.253 108.800 0.054 0.000 2.144 685 G HA2 -0.203 3.759 3.960 0.004 0.000 0.218 685 G HA3 -0.203 3.759 3.960 0.004 0.000 0.218 685 G C 0.124 175.081 174.900 0.096 0.000 0.988 685 G CA 0.044 45.179 45.100 0.058 0.000 0.659 685 G HN 0.505 nan 8.290 nan 0.000 0.522 686 A N -0.154 122.733 122.820 0.112 0.000 2.293 686 A HA 0.859 5.181 4.320 0.004 0.000 0.302 686 A C 0.449 178.005 177.584 -0.047 0.000 1.119 686 A CA -0.321 51.794 52.037 0.130 0.000 0.823 686 A CB 0.756 19.901 19.000 0.241 0.000 1.097 686 A HN 0.722 nan 8.150 nan 0.000 0.491 687 L N 0.442 121.601 121.223 -0.107 0.000 2.375 687 L HA 0.500 4.843 4.340 0.004 0.000 0.268 687 L C 0.065 176.815 176.870 -0.200 0.000 1.058 687 L CA -0.412 54.289 54.840 -0.230 0.000 0.803 687 L CB 1.876 43.785 42.059 -0.250 0.000 1.212 687 L HN 0.694 nan 8.230 nan 0.000 0.451 688 T N 2.419 116.744 114.554 -0.382 0.000 2.786 688 T HA 0.442 4.794 4.350 0.004 0.000 0.283 688 T C -0.464 174.137 174.700 -0.166 0.000 0.992 688 T CA -0.227 61.641 62.100 -0.387 0.000 0.954 688 T CB 1.324 69.797 68.868 -0.658 0.000 0.934 688 T HN 0.325 nan 8.240 nan 0.000 0.440 689 I N 3.282 123.834 120.570 -0.030 0.000 2.312 689 I HA 0.682 4.855 4.170 0.004 0.000 0.290 689 I C 0.119 176.401 176.117 0.276 0.000 1.008 689 I CA 0.132 61.510 61.300 0.130 0.000 1.226 689 I CB 0.234 38.194 38.000 -0.066 0.000 1.371 689 I HN 0.779 nan 8.210 nan 0.000 0.468 690 G N 4.072 113.162 108.800 0.483 0.000 2.703 690 G HA2 0.417 4.380 3.960 0.004 0.000 0.294 690 G HA3 0.417 4.380 3.960 0.004 0.000 0.294 690 G C -0.756 174.207 174.900 0.104 0.000 1.451 690 G CA -0.474 44.849 45.100 0.372 0.000 0.869 690 G HN 0.582 nan 8.290 nan 0.000 0.516 691 T N -1.366 113.058 114.554 -0.216 0.000 2.813 691 T HA 0.442 4.794 4.350 0.004 0.000 0.297 691 T C 0.736 175.346 174.700 -0.150 0.000 1.036 691 T CA -0.360 61.493 62.100 -0.410 0.000 1.044 691 T CB 1.122 69.755 68.868 -0.391 0.000 0.993 691 T HN 0.461 nan 8.240 nan 0.000 0.535 692 M N 2.736 122.250 119.600 -0.144 0.000 3.011 692 M HA 0.377 4.859 4.480 0.004 0.000 0.292 692 M C -1.009 175.252 176.300 -0.065 0.000 1.440 692 M CA 0.038 55.289 55.300 -0.082 0.000 1.552 692 M CB -1.679 30.877 32.600 -0.074 0.000 1.187 692 M HN 0.783 nan 8.290 nan 0.000 0.520 693 D N 1.874 122.247 120.400 -0.045 0.000 2.654 693 D HA 0.664 5.306 4.640 0.004 0.000 0.231 693 D C 0.384 176.680 176.300 -0.008 0.000 1.239 693 D CA 0.841 54.824 54.000 -0.027 0.000 0.790 693 D CB 1.293 42.075 40.800 -0.030 0.000 1.480 693 D HN 0.611 nan 8.370 nan 0.000 0.442 694 G N 1.490 110.292 108.800 0.004 0.000 2.622 694 G HA2 -0.241 3.721 3.960 0.004 0.000 0.307 694 G HA3 -0.241 3.721 3.960 0.004 0.000 0.307 694 G C 1.172 176.089 174.900 0.027 0.000 1.226 694 G CA 1.192 46.301 45.100 0.016 0.000 0.997 694 G HN 1.223 nan 8.290 nan 0.000 0.551 695 A N -0.191 122.645 122.820 0.028 0.000 2.119 695 A HA 0.084 4.406 4.320 0.004 0.000 0.217 695 A C 2.127 179.710 177.584 -0.001 0.000 1.153 695 A CA 1.987 54.048 52.037 0.040 0.000 0.692 695 A CB -0.492 18.512 19.000 0.007 0.000 0.799 695 A HN 0.646 nan 8.150 nan 0.000 0.458 696 N N 0.645 119.342 118.700 -0.006 0.000 2.060 696 N HA -0.172 4.570 4.740 0.004 0.000 0.195 696 N C 1.643 177.071 175.510 -0.138 0.000 1.028 696 N CA 1.741 54.777 53.050 -0.024 0.000 0.861 696 N CB -0.771 37.737 38.487 0.035 0.000 1.029 696 N HN 0.263 nan 8.380 nan 0.000 0.428 697 V N 1.303 121.170 119.914 -0.079 0.000 2.252 697 V HA -0.233 3.890 4.120 0.004 0.000 0.249 697 V C 1.907 177.957 176.094 -0.074 0.000 1.056 697 V CA 1.813 64.059 62.300 -0.090 0.000 1.022 697 V CB -0.540 31.258 31.823 -0.041 0.000 0.641 697 V HN 0.389 nan 8.190 nan 0.000 0.445 698 E N -0.885 119.333 120.200 0.029 0.000 2.347 698 E HA -0.102 4.251 4.350 0.004 0.000 0.196 698 E C 2.123 178.887 176.600 0.273 0.000 1.008 698 E CA 0.802 57.277 56.400 0.125 0.000 0.852 698 E CB -0.120 29.697 29.700 0.194 0.000 0.783 698 E HN 0.570 nan 8.360 nan 0.000 0.505 699 M N 0.148 119.828 119.600 0.132 0.000 2.160 699 M HA -0.056 4.426 4.480 0.004 0.000 0.264 699 M C 2.430 178.550 176.300 -0.300 0.000 1.073 699 M CA 1.371 56.680 55.300 0.015 0.000 1.142 699 M CB -0.020 32.497 32.600 -0.138 0.000 1.358 699 M HN 0.132 nan 8.290 nan 0.000 0.422 700 A N -0.233 122.154 122.820 -0.721 0.000 1.929 700 A HA -0.176 4.146 4.320 0.004 0.000 0.216 700 A C 1.993 179.381 177.584 -0.326 0.000 1.176 700 A CA 1.665 53.180 52.037 -0.870 0.000 0.628 700 A CB -0.734 17.734 19.000 -0.886 0.000 0.816 700 A HN 0.563 nan 8.150 nan 0.000 0.444 701 E N -0.191 119.890 120.200 -0.198 0.000 2.077 701 E HA -0.216 4.136 4.350 0.004 0.000 0.193 701 E C 1.800 178.367 176.600 -0.055 0.000 0.989 701 E CA 1.269 57.610 56.400 -0.098 0.000 0.800 701 E CB -0.126 29.535 29.700 -0.064 0.000 0.746 701 E HN 0.599 nan 8.360 nan 0.000 0.452 702 E N 0.047 120.239 120.200 -0.013 0.000 2.046 702 E HA -0.130 4.222 4.350 0.004 0.000 0.190 702 E C 1.947 178.569 176.600 0.036 0.000 0.982 702 E CA 1.000 57.417 56.400 0.028 0.000 0.800 702 E CB -0.120 29.644 29.700 0.107 0.000 0.756 702 E HN 0.344 nan 8.360 nan 0.000 0.449 703 A N 0.580 123.427 122.820 0.045 0.000 2.014 703 A HA 0.201 4.524 4.320 0.004 0.000 0.218 703 A C 1.111 178.713 177.584 0.030 0.000 1.163 703 A CA 1.321 53.401 52.037 0.073 0.000 0.652 703 A CB -0.165 18.941 19.000 0.177 0.000 0.808 703 A HN 0.293 nan 8.150 nan 0.000 0.449 704 G N -0.975 107.815 108.800 -0.017 0.000 3.067 704 G HA2 -0.081 3.881 3.960 0.004 0.000 0.686 704 G HA3 -0.081 3.881 3.960 0.004 0.000 0.686 704 G C 0.106 174.986 174.900 -0.033 0.000 1.119 704 G CA 0.128 45.212 45.100 -0.026 0.000 0.790 704 G HN 0.128 nan 8.290 nan 0.000 0.605 705 E N 0.765 120.934 120.200 -0.052 0.000 2.118 705 E HA -0.181 4.171 4.350 0.004 0.000 0.195 705 E C 2.130 178.723 176.600 -0.012 0.000 0.992 705 E CA 1.976 58.346 56.400 -0.051 0.000 0.804 705 E CB 0.172 29.843 29.700 -0.048 0.000 0.741 705 E HN 0.726 nan 8.360 nan 0.000 0.458 706 E N 0.121 120.302 120.200 -0.032 0.000 2.502 706 E HA -0.018 4.335 4.350 0.004 0.000 0.194 706 E C 0.726 177.246 176.600 -0.133 0.000 1.062 706 E CA 0.236 56.594 56.400 -0.069 0.000 0.867 706 E CB -0.193 29.476 29.700 -0.051 0.000 0.888 706 E HN 0.072 nan 8.360 nan 0.000 0.510 707 N N 0.073 118.727 118.700 -0.077 0.000 2.322 707 N HA 0.177 4.920 4.740 0.004 0.000 0.216 707 N C -1.185 174.241 175.510 -0.142 0.000 1.144 707 N CA 0.121 53.099 53.050 -0.119 0.000 0.830 707 N CB 0.069 38.545 38.487 -0.018 0.000 1.034 707 N HN 0.104 nan 8.380 nan 0.000 0.484 708 F N -0.526 119.167 119.950 -0.427 0.000 2.628 708 F HA 0.331 4.859 4.527 0.003 0.000 0.309 708 F C -1.134 174.417 175.800 -0.416 0.000 1.108 708 F CA -1.023 56.768 58.000 -0.348 0.000 0.971 708 F CB 1.306 40.218 39.000 -0.147 0.000 1.279 708 F HN -0.226 nan 8.300 nan 0.000 0.441 709 F N 5.985 125.953 119.950 0.030 0.000 2.351 709 F HA 0.391 4.920 4.527 0.003 0.000 0.362 709 F C -0.247 175.707 175.800 0.255 0.000 1.131 709 F CA -0.608 57.448 58.000 0.093 0.000 1.187 709 F CB 0.032 39.022 39.000 -0.018 0.000 1.434 709 F HN 0.007 nan 8.300 nan 0.000 0.553 710 I N 4.825 125.621 120.570 0.377 0.000 2.353 710 I HA 0.362 4.534 4.170 0.004 0.000 0.293 710 I C -0.118 176.219 176.117 0.366 0.000 0.992 710 I CA -0.885 60.609 61.300 0.323 0.000 1.268 710 I CB 0.606 38.706 38.000 0.166 0.000 1.387 710 I HN 0.343 nan 8.210 nan 0.000 0.478 711 F N 2.651 122.674 119.950 0.123 0.000 2.664 711 F HA 0.913 5.441 4.527 0.003 0.000 0.317 711 F C 0.232 176.083 175.800 0.085 0.000 1.108 711 F CA -0.833 57.230 58.000 0.104 0.000 0.957 711 F CB 0.948 40.022 39.000 0.123 0.000 1.365 711 F HN 0.788 nan 8.300 nan 0.000 0.475 712 G N 0.899 109.745 108.800 0.077 0.000 2.855 712 G HA2 -0.155 3.807 3.960 0.004 0.000 0.352 712 G HA3 -0.155 3.807 3.960 0.004 0.000 0.352 712 G C -0.609 174.250 174.900 -0.068 0.000 1.415 712 G CA -0.499 44.586 45.100 -0.025 0.000 0.871 712 G HN 1.008 nan 8.290 nan 0.000 0.543 713 M N 0.245 119.822 119.600 -0.039 0.000 2.235 713 M HA 0.193 4.675 4.480 0.004 0.000 0.336 713 M C 1.226 177.485 176.300 -0.069 0.000 1.146 713 M CA 0.927 56.209 55.300 -0.029 0.000 1.018 713 M CB 0.273 32.860 32.600 -0.021 0.000 1.694 713 M HN 0.620 nan 8.290 nan 0.000 0.451 714 R N 1.204 121.678 120.500 -0.042 0.000 2.549 714 R HA 0.338 4.680 4.340 0.004 0.000 0.259 714 R C 1.035 177.312 176.300 -0.039 0.000 1.095 714 R CA -0.544 55.527 56.100 -0.049 0.000 1.148 714 R CB 0.496 30.776 30.300 -0.033 0.000 1.181 714 R HN 0.584 nan 8.270 nan 0.000 0.571 715 V N 0.983 120.873 119.914 -0.039 0.000 2.282 715 V HA -0.283 3.839 4.120 0.004 0.000 0.249 715 V C 2.035 178.114 176.094 -0.026 0.000 1.057 715 V CA 1.982 64.261 62.300 -0.034 0.000 1.032 715 V CB -0.468 31.335 31.823 -0.033 0.000 0.645 715 V HN 0.703 nan 8.190 nan 0.000 0.447 716 E N -0.429 119.759 120.200 -0.020 0.000 2.204 716 E HA -0.218 4.135 4.350 0.004 0.000 0.194 716 E C 1.882 178.481 176.600 -0.002 0.000 0.989 716 E CA 1.245 57.638 56.400 -0.012 0.000 0.824 716 E CB -0.092 29.603 29.700 -0.010 0.000 0.756 716 E HN 0.667 nan 8.360 nan 0.000 0.477 717 D N -0.117 120.283 120.400 -0.001 0.000 2.183 717 D HA -0.106 4.537 4.640 0.004 0.000 0.203 717 D C 2.083 178.392 176.300 0.015 0.000 0.969 717 D CA 0.575 54.584 54.000 0.015 0.000 0.842 717 D CB 0.017 40.828 40.800 0.019 0.000 0.957 717 D HN 0.086 nan 8.370 nan 0.000 0.484 718 V N 1.753 121.663 119.914 -0.006 0.000 2.261 718 V HA -0.231 3.891 4.120 0.004 0.000 0.246 718 V C 1.932 178.020 176.094 -0.010 0.000 1.047 718 V CA 1.724 64.013 62.300 -0.019 0.000 1.015 718 V CB -0.574 31.224 31.823 -0.040 0.000 0.642 718 V HN -0.011 nan 8.190 nan 0.000 0.446 719 D N 0.101 120.494 120.400 -0.011 0.000 2.157 719 D HA -0.206 4.436 4.640 0.004 0.000 0.191 719 D C 2.391 178.698 176.300 0.011 0.000 1.004 719 D CA 1.519 55.515 54.000 -0.006 0.000 0.854 719 D CB -0.315 40.480 40.800 -0.009 0.000 0.936 719 D HN 0.354 nan 8.370 nan 0.000 0.446 720 R N -0.583 119.930 120.500 0.021 0.000 2.152 720 R HA -0.071 4.271 4.340 0.004 0.000 0.232 720 R C 1.880 178.215 176.300 0.058 0.000 1.117 720 R CA 0.397 56.519 56.100 0.037 0.000 0.981 720 R CB -0.173 30.151 30.300 0.040 0.000 0.870 720 R HN 0.165 nan 8.270 nan 0.000 0.451 721 L N 0.616 121.880 121.223 0.068 0.000 2.270 721 L HA -0.049 4.293 4.340 0.004 0.000 0.210 721 L C 1.173 178.102 176.870 0.098 0.000 1.104 721 L CA 1.656 56.564 54.840 0.113 0.000 0.804 721 L CB -0.081 42.062 42.059 0.139 0.000 0.937 721 L HN 0.001 nan 8.230 nan 0.000 0.450 722 D N -1.457 118.972 120.400 0.048 0.000 2.277 722 D HA -0.136 4.506 4.640 0.004 0.000 0.208 722 D C 1.993 178.313 176.300 0.033 0.000 0.962 722 D CA 0.475 54.495 54.000 0.032 0.000 0.865 722 D CB 0.345 41.143 40.800 -0.004 0.000 0.939 722 D HN 0.300 nan 8.370 nan 0.000 0.510 723 Q N 0.428 120.248 119.800 0.033 0.000 2.049 723 Q HA 0.035 4.377 4.340 0.004 0.000 0.198 723 Q C 1.952 177.975 176.000 0.037 0.000 0.971 723 Q CA 1.097 56.917 55.803 0.029 0.000 0.833 723 Q CB 0.210 28.963 28.738 0.026 0.000 0.896 723 Q HN 0.014 nan 8.270 nan 0.000 0.434 724 R N -1.140 119.392 120.500 0.052 0.000 2.312 724 R HA 0.241 4.584 4.340 0.004 0.000 0.205 724 R C -0.535 175.805 176.300 0.066 0.000 0.904 724 R CA 0.589 56.721 56.100 0.054 0.000 1.052 724 R CB 0.567 30.902 30.300 0.058 0.000 1.014 724 R HN 0.311 nan 8.270 nan 0.000 0.503 725 G N 0.203 109.054 108.800 0.084 0.000 2.712 725 G HA2 -0.287 3.675 3.960 0.004 0.000 0.686 725 G HA3 -0.287 3.675 3.960 0.004 0.000 0.686 725 G C -1.639 173.366 174.900 0.175 0.000 1.181 725 G CA -0.521 44.641 45.100 0.103 0.000 0.762 725 G HN 0.218 nan 8.290 nan 0.000 0.641 726 Y N 3.008 123.343 120.300 0.058 0.000 2.334 726 Y HA 0.676 5.228 4.550 0.003 0.000 0.336 726 Y C -0.091 175.872 175.900 0.104 0.000 0.960 726 Y CA -1.282 56.874 58.100 0.092 0.000 1.164 726 Y CB 1.269 39.761 38.460 0.053 0.000 1.155 726 Y HN 0.649 nan 8.280 nan 0.000 0.478 727 N N 4.519 122.986 118.700 -0.388 0.000 2.442 727 N HA 0.358 5.101 4.740 0.004 0.000 0.274 727 N C -0.013 175.250 175.510 -0.413 0.000 1.002 727 N CA 0.275 53.120 53.050 -0.341 0.000 0.910 727 N CB 2.023 40.448 38.487 -0.103 0.000 1.244 727 N HN 0.891 nan 8.380 nan 0.000 0.492 728 A N 3.073 125.638 122.820 -0.425 0.000 2.066 728 A HA -0.113 4.209 4.320 0.004 0.000 0.218 728 A C 1.855 179.581 177.584 0.238 0.000 1.157 728 A CA 1.064 53.020 52.037 -0.135 0.000 0.670 728 A CB -0.086 18.773 19.000 -0.235 0.000 0.804 728 A HN 0.725 nan 8.150 nan 0.000 0.453 729 Q N 0.727 120.603 119.800 0.126 0.000 2.124 729 Q HA -0.174 4.168 4.340 0.004 0.000 0.202 729 Q C 1.760 177.885 176.000 0.208 0.000 0.977 729 Q CA 1.813 57.727 55.803 0.185 0.000 0.850 729 Q CB -0.255 28.542 28.738 0.098 0.000 0.901 729 Q HN 0.881 nan 8.270 nan 0.000 0.429 730 E N -1.597 118.662 120.200 0.098 0.000 2.512 730 E HA -0.141 4.211 4.350 0.004 0.000 0.195 730 E C 0.402 176.905 176.600 -0.162 0.000 1.083 730 E CA 0.410 56.791 56.400 -0.033 0.000 0.873 730 E CB -0.004 29.625 29.700 -0.118 0.000 0.897 730 E HN 0.487 nan 8.360 nan 0.000 0.514 731 Y N -1.119 119.276 120.300 0.158 0.000 2.609 731 Y HA 0.035 4.587 4.550 0.003 0.000 0.281 731 Y C 1.944 177.881 175.900 0.061 0.000 1.132 731 Y CA 0.084 58.274 58.100 0.150 0.000 1.264 731 Y CB -0.230 38.396 38.460 0.276 0.000 1.325 731 Y HN 0.063 nan 8.280 nan 0.000 0.514 732 Y N 1.614 122.021 120.300 0.177 0.000 2.207 732 Y HA -0.273 4.279 4.550 0.004 0.000 0.287 732 Y C 1.604 177.508 175.900 0.007 0.000 1.156 732 Y CA 1.907 60.016 58.100 0.016 0.000 1.182 732 Y CB -0.184 38.371 38.460 0.159 0.000 0.979 732 Y HN 0.083 nan 8.280 nan 0.000 0.521 733 D N -0.240 120.250 120.400 0.149 0.000 2.123 733 D HA -0.090 4.553 4.640 0.004 0.000 0.200 733 D C 1.935 178.212 176.300 -0.039 0.000 0.976 733 D CA 1.296 55.325 54.000 0.047 0.000 0.831 733 D CB -0.177 40.677 40.800 0.089 0.000 0.974 733 D HN 0.447 nan 8.370 nan 0.000 0.469 734 R N -0.108 120.374 120.500 -0.029 0.000 2.297 734 R HA 0.239 4.581 4.340 0.004 0.000 0.197 734 R C 0.314 176.594 176.300 -0.033 0.000 0.943 734 R CA 0.299 56.380 56.100 -0.031 0.000 1.038 734 R CB 0.619 30.902 30.300 -0.029 0.000 0.957 734 R HN 0.158 nan 8.270 nan 0.000 0.484 735 I N 1.861 122.387 120.570 -0.074 0.000 2.563 735 I HA 0.196 4.368 4.170 0.004 0.000 0.276 735 I C -1.883 174.143 176.117 -0.151 0.000 1.074 735 I CA -2.108 59.151 61.300 -0.068 0.000 1.124 735 I CB 2.157 40.147 38.000 -0.017 0.000 1.225 735 I HN -0.238 nan 8.210 nan 0.000 0.482 736 P HA -0.114 nan 4.420 nan 0.000 0.225 736 P C 0.934 178.164 177.300 -0.116 0.000 1.148 736 P CA 1.274 64.296 63.100 -0.131 0.000 0.779 736 P CB 0.512 32.167 31.700 -0.074 0.000 0.780 737 E N -0.670 119.486 120.200 -0.074 0.000 2.086 737 E HA -0.061 4.292 4.350 0.004 0.000 0.190 737 E C 1.942 178.473 176.600 -0.116 0.000 0.975 737 E CA 0.203 56.581 56.400 -0.037 0.000 0.813 737 E CB -0.521 29.215 29.700 0.061 0.000 0.768 737 E HN 0.051 nan 8.360 nan 0.000 0.457 738 L N 1.800 122.865 121.223 -0.264 0.000 2.043 738 L HA -0.233 4.109 4.340 0.004 0.000 0.212 738 L C 2.182 178.841 176.870 -0.353 0.000 1.075 738 L CA 1.768 56.291 54.840 -0.529 0.000 0.752 738 L CB -0.259 41.326 42.059 -0.790 0.000 0.891 738 L HN -0.026 nan 8.230 nan 0.000 0.432 739 R N -1.147 119.134 120.500 -0.365 0.000 2.080 739 R HA -0.210 4.133 4.340 0.004 0.000 0.236 739 R C 2.358 178.601 176.300 -0.096 0.000 1.137 739 R CA 1.886 57.767 56.100 -0.365 0.000 0.943 739 R CB -0.520 29.476 30.300 -0.506 0.000 0.846 739 R HN 0.543 nan 8.270 nan 0.000 0.431 740 Q N 0.634 120.391 119.800 -0.073 0.000 2.181 740 Q HA -0.181 4.161 4.340 0.004 0.000 0.205 740 Q C 2.069 178.104 176.000 0.058 0.000 0.980 740 Q CA 1.421 57.231 55.803 0.012 0.000 0.862 740 Q CB -0.033 28.711 28.738 0.010 0.000 0.905 740 Q HN 0.390 nan 8.270 nan 0.000 0.429 741 I N 0.481 121.065 120.570 0.024 0.000 2.202 741 I HA -0.302 3.871 4.170 0.004 0.000 0.242 741 I C 2.165 178.346 176.117 0.106 0.000 1.091 741 I CA 0.709 62.043 61.300 0.056 0.000 1.368 741 I CB -0.290 37.705 38.000 -0.008 0.000 1.058 741 I HN 0.225 nan 8.210 nan 0.000 0.410 742 I N 0.901 121.539 120.570 0.113 0.000 2.226 742 I HA -0.230 3.942 4.170 0.004 0.000 0.245 742 I C 2.556 178.788 176.117 0.192 0.000 1.100 742 I CA 1.576 62.983 61.300 0.179 0.000 1.374 742 I CB -1.341 36.833 38.000 0.290 0.000 1.057 742 I HN 0.378 nan 8.210 nan 0.000 0.413 743 E N 0.960 121.274 120.200 0.190 0.000 2.153 743 E HA -0.235 4.117 4.350 0.004 0.000 0.194 743 E C 2.034 178.758 176.600 0.206 0.000 0.988 743 E CA 1.048 57.557 56.400 0.181 0.000 0.811 743 E CB -0.373 29.419 29.700 0.153 0.000 0.746 743 E HN 0.645 nan 8.360 nan 0.000 0.466 744 Q N 0.640 120.584 119.800 0.240 0.000 2.016 744 Q HA -0.056 4.286 4.340 0.004 0.000 0.200 744 Q C 2.592 178.820 176.000 0.379 0.000 0.978 744 Q CA 0.954 56.962 55.803 0.342 0.000 0.833 744 Q CB -0.169 28.745 28.738 0.293 0.000 0.895 744 Q HN 0.244 nan 8.270 nan 0.000 0.427 745 L N 0.229 121.654 121.223 0.336 0.000 1.989 745 L HA -0.241 4.101 4.340 0.004 0.000 0.211 745 L C 2.530 179.586 176.870 0.309 0.000 1.071 745 L CA 1.251 56.291 54.840 0.333 0.000 0.749 745 L CB -0.545 41.625 42.059 0.185 0.000 0.890 745 L HN 0.159 nan 8.230 nan 0.000 0.431 746 S N -0.238 115.598 115.700 0.227 0.000 2.368 746 S HA -0.189 4.283 4.470 0.004 0.000 0.225 746 S C 2.148 176.844 174.600 0.160 0.000 1.030 746 S CA 1.571 59.878 58.200 0.178 0.000 0.999 746 S CB -0.383 62.901 63.200 0.140 0.000 0.844 746 S HN 0.631 nan 8.310 nan 0.000 0.459 747 S N 0.804 116.603 115.700 0.165 0.000 2.442 747 S HA 0.146 4.618 4.470 0.004 0.000 0.236 747 S C 1.539 176.203 174.600 0.107 0.000 1.007 747 S CA 1.146 59.418 58.200 0.120 0.000 0.965 747 S CB -0.470 62.798 63.200 0.112 0.000 0.773 747 S HN 0.978 nan 8.310 nan 0.000 0.504 748 G N -0.091 108.812 108.800 0.171 0.000 2.138 748 G HA2 -0.241 3.721 3.960 0.004 0.000 0.193 748 G HA3 -0.241 3.721 3.960 0.004 0.000 0.193 748 G C 0.225 175.219 174.900 0.157 0.000 0.998 748 G CA 0.084 45.277 45.100 0.154 0.000 0.668 748 G HN 0.491 nan 8.290 nan 0.000 0.516 749 F N -0.011 119.952 119.950 0.021 0.000 2.095 749 F HA 0.085 4.614 4.527 0.004 0.000 0.298 749 F C 2.029 177.647 175.800 -0.303 0.000 1.104 749 F CA 1.818 59.702 58.000 -0.193 0.000 1.232 749 F CB -0.008 38.782 39.000 -0.350 0.000 0.987 749 F HN 0.211 nan 8.300 nan 0.000 0.475 750 F N -0.543 119.636 119.950 0.380 0.000 2.693 750 F HA 0.137 4.666 4.527 0.004 0.000 0.303 750 F C 0.736 176.706 175.800 0.283 0.000 1.097 750 F CA 0.141 58.293 58.000 0.253 0.000 1.330 750 F CB 0.054 39.109 39.000 0.091 0.000 1.067 750 F HN -0.104 nan 8.300 nan 0.000 0.565 751 S N -1.400 114.508 115.700 0.347 0.000 2.606 751 S HA 0.248 4.720 4.470 0.004 0.000 0.156 751 S C -2.200 172.454 174.600 0.090 0.000 1.308 751 S CA -0.875 57.440 58.200 0.192 0.000 1.228 751 S CB 0.482 63.736 63.200 0.090 0.000 1.568 751 S HN -0.121 nan 8.310 nan 0.000 0.397 752 P HA -0.054 nan 4.420 nan 0.000 0.217 752 P C 0.997 178.303 177.300 0.010 0.000 1.150 752 P CA 1.193 64.304 63.100 0.018 0.000 0.832 752 P CB 0.135 31.832 31.700 -0.004 0.000 0.787 753 K N -0.483 119.927 120.400 0.016 0.000 2.217 753 K HA -0.031 4.291 4.320 0.004 0.000 0.202 753 K C 1.100 177.705 176.600 0.008 0.000 1.051 753 K CA 1.007 57.301 56.287 0.012 0.000 0.952 753 K CB -0.206 32.305 32.500 0.018 0.000 0.736 753 K HN 0.325 nan 8.250 nan 0.000 0.453 754 Q N -0.659 119.142 119.800 0.002 0.000 3.122 754 Q HA 0.202 4.545 4.340 0.004 0.000 0.282 754 Q C -2.267 173.719 176.000 -0.023 0.000 0.947 754 Q CA -1.522 54.273 55.803 -0.014 0.000 0.812 754 Q CB 1.451 30.174 28.738 -0.025 0.000 1.333 754 Q HN -0.085 nan 8.270 nan 0.000 0.430 755 P HA -0.244 nan 4.420 nan 0.000 0.218 755 P C 0.165 177.488 177.300 0.038 0.000 1.152 755 P CA 1.698 64.816 63.100 0.030 0.000 0.857 755 P CB 0.149 31.865 31.700 0.025 0.000 0.787 756 D N -2.501 117.906 120.400 0.012 0.000 2.559 756 D HA 0.052 4.694 4.640 0.004 0.000 0.234 756 D C 1.236 177.521 176.300 -0.025 0.000 1.226 756 D CA -0.407 53.608 54.000 0.024 0.000 0.830 756 D CB -0.986 39.837 40.800 0.039 0.000 1.028 756 D HN -0.009 nan 8.370 nan 0.000 0.492 757 L N -0.551 120.581 121.223 -0.150 0.000 2.131 757 L HA 0.039 4.381 4.340 0.004 0.000 0.210 757 L C 0.638 177.290 176.870 -0.363 0.000 1.092 757 L CA 1.561 56.207 54.840 -0.325 0.000 0.759 757 L CB -0.293 41.403 42.059 -0.605 0.000 0.903 757 L HN 0.029 nan 8.230 nan 0.000 0.435 758 F N -1.224 118.777 119.950 0.085 0.000 2.668 758 F HA 0.229 4.759 4.527 0.004 0.000 0.297 758 F C 1.816 177.653 175.800 0.062 0.000 1.124 758 F CA -0.402 57.634 58.000 0.061 0.000 1.353 758 F CB -0.597 38.426 39.000 0.038 0.000 0.992 758 F HN -0.103 nan 8.300 nan 0.000 0.524 759 K N 0.776 121.278 120.400 0.170 0.000 2.097 759 K HA -0.170 4.152 4.320 0.004 0.000 0.206 759 K C 1.288 177.964 176.600 0.126 0.000 1.049 759 K CA 1.838 58.205 56.287 0.132 0.000 0.933 759 K CB -0.294 32.265 32.500 0.098 0.000 0.717 759 K HN 0.393 nan 8.250 nan 0.000 0.442 760 D N 0.340 120.829 120.400 0.149 0.000 2.269 760 D HA -0.109 4.533 4.640 0.004 0.000 0.208 760 D C 1.860 178.231 176.300 0.119 0.000 0.963 760 D CA 0.655 54.748 54.000 0.156 0.000 0.864 760 D CB -0.470 40.454 40.800 0.207 0.000 0.936 760 D HN 0.208 nan 8.370 nan 0.000 0.505 761 I N 0.403 121.047 120.570 0.123 0.000 2.233 761 I HA -0.208 3.964 4.170 0.004 0.000 0.243 761 I C 2.257 178.372 176.117 -0.004 0.000 1.093 761 I CA 0.570 61.905 61.300 0.057 0.000 1.380 761 I CB -0.152 37.888 38.000 0.066 0.000 1.067 761 I HN -0.061 nan 8.210 nan 0.000 0.413 762 V N 1.246 121.178 119.914 0.031 0.000 2.255 762 V HA -0.311 3.811 4.120 0.004 0.000 0.247 762 V C 2.108 178.125 176.094 -0.127 0.000 1.051 762 V CA 2.343 64.635 62.300 -0.012 0.000 1.018 762 V CB -1.002 30.846 31.823 0.043 0.000 0.641 762 V HN 0.420 nan 8.190 nan 0.000 0.445 763 N N -0.407 118.237 118.700 -0.092 0.000 2.061 763 N HA -0.219 4.523 4.740 0.004 0.000 0.193 763 N C 1.808 177.097 175.510 -0.368 0.000 1.030 763 N CA 1.825 54.788 53.050 -0.146 0.000 0.856 763 N CB -0.337 38.200 38.487 0.084 0.000 1.023 763 N HN 0.334 nan 8.380 nan 0.000 0.424 764 M N -0.069 119.285 119.600 -0.409 0.000 2.080 764 M HA -0.128 4.354 4.480 0.004 0.000 0.260 764 M C 1.287 177.295 176.300 -0.487 0.000 1.068 764 M CA 1.431 56.297 55.300 -0.723 0.000 1.109 764 M CB -0.417 32.001 32.600 -0.304 0.000 1.342 764 M HN 0.128 nan 8.290 nan 0.000 0.405 765 L N 0.463 121.478 121.223 -0.346 0.000 2.042 765 L HA -0.234 4.108 4.340 0.004 0.000 0.210 765 L C 2.488 179.021 176.870 -0.561 0.000 1.076 765 L CA 1.601 56.181 54.840 -0.432 0.000 0.749 765 L CB -1.309 40.572 42.059 -0.298 0.000 0.893 765 L HN 0.355 nan 8.230 nan 0.000 0.432 766 M N -1.313 117.995 119.600 -0.486 0.000 2.081 766 M HA -0.124 4.358 4.480 0.004 0.000 0.261 766 M C 2.101 178.167 176.300 -0.390 0.000 1.075 766 M CA 1.708 56.675 55.300 -0.554 0.000 1.133 766 M CB -1.052 31.009 32.600 -0.899 0.000 1.330 766 M HN 0.319 nan 8.290 nan 0.000 0.414 767 H N -1.992 117.003 119.070 -0.124 0.000 2.855 767 H HA 0.186 4.744 4.556 0.004 0.000 0.259 767 H C 0.284 175.670 175.328 0.096 0.000 0.972 767 H CA 0.708 56.759 56.048 0.005 0.000 1.213 767 H CB -0.132 29.692 29.762 0.102 0.000 1.451 767 H HN 0.647 nan 8.280 nan 0.000 0.484 768 H N -1.681 117.437 119.070 0.080 0.000 2.924 768 H HA 0.236 4.794 4.556 0.004 0.000 0.229 768 H C -0.859 174.499 175.328 0.051 0.000 1.345 768 H CA -0.573 55.517 56.048 0.071 0.000 1.044 768 H CB 0.025 29.831 29.762 0.073 0.000 2.221 768 H HN -0.145 nan 8.280 nan 0.000 0.574 769 D N 1.652 122.044 120.400 -0.013 0.000 2.383 769 D HA 0.019 4.661 4.640 0.004 0.000 0.245 769 D C 1.151 177.437 176.300 -0.024 0.000 1.263 769 D CA -0.167 53.826 54.000 -0.012 0.000 0.936 769 D CB 0.563 41.324 40.800 -0.066 0.000 1.053 769 D HN 0.495 nan 8.370 nan 0.000 0.507 770 R N 2.320 122.761 120.500 -0.099 0.000 2.339 770 R HA -0.002 4.341 4.340 0.004 0.000 0.199 770 R C 0.391 176.220 176.300 -0.785 0.000 1.018 770 R CA 0.883 56.718 56.100 -0.442 0.000 1.036 770 R CB 0.064 30.002 30.300 -0.603 0.000 0.899 770 R HN 0.358 nan 8.270 nan 0.000 0.473 771 F N -0.847 119.040 119.950 -0.105 0.000 2.838 771 F HA 0.314 4.843 4.527 0.003 0.000 0.329 771 F C -0.254 175.414 175.800 -0.221 0.000 1.116 771 F CA -0.674 57.257 58.000 -0.116 0.000 1.155 771 F CB 0.673 39.672 39.000 -0.003 0.000 1.106 771 F HN -0.244 nan 8.300 nan 0.000 0.538 772 K N 0.074 120.299 120.400 -0.292 0.000 3.619 772 K HA -0.139 4.183 4.320 0.004 0.000 0.275 772 K C 0.710 177.207 176.600 -0.171 0.000 0.993 772 K CA 0.175 56.136 56.287 -0.545 0.000 0.787 772 K CB -1.670 30.409 32.500 -0.701 0.000 1.431 772 K HN 0.179 nan 8.250 nan 0.000 0.451 773 V N 0.222 120.108 119.914 -0.047 0.000 2.323 773 V HA -0.225 3.897 4.120 0.004 0.000 0.244 773 V C 1.967 178.216 176.094 0.257 0.000 1.041 773 V CA 1.863 64.214 62.300 0.086 0.000 1.025 773 V CB -0.434 31.441 31.823 0.087 0.000 0.656 773 V HN 0.439 nan 8.190 nan 0.000 0.451 774 F N 1.214 121.162 119.950 -0.004 0.000 2.069 774 F HA -0.187 4.342 4.527 0.004 0.000 0.298 774 F C 2.593 178.277 175.800 -0.194 0.000 1.113 774 F CA 1.175 59.147 58.000 -0.047 0.000 1.214 774 F CB -1.695 37.288 39.000 -0.029 0.000 0.978 774 F HN 0.143 nan 8.300 nan 0.000 0.474 775 A N -0.344 122.286 122.820 -0.316 0.000 1.958 775 A HA -0.235 4.087 4.320 0.004 0.000 0.221 775 A C 1.790 179.391 177.584 0.028 0.000 1.178 775 A CA 2.291 54.041 52.037 -0.477 0.000 0.642 775 A CB -0.814 18.008 19.000 -0.298 0.000 0.816 775 A HN 0.326 nan 8.150 nan 0.000 0.453 776 D N -2.832 117.628 120.400 0.100 0.000 2.339 776 D HA 0.092 4.734 4.640 0.004 0.000 0.217 776 D C 1.150 177.642 176.300 0.319 0.000 1.050 776 D CA 0.062 54.189 54.000 0.212 0.000 0.856 776 D CB -0.111 40.794 40.800 0.175 0.000 0.922 776 D HN 0.620 nan 8.370 nan 0.000 0.518 777 Y N 1.974 122.377 120.300 0.172 0.000 2.060 777 Y HA -0.205 4.348 4.550 0.004 0.000 0.276 777 Y C 2.111 178.123 175.900 0.186 0.000 1.127 777 Y CA 1.868 60.078 58.100 0.184 0.000 1.104 777 Y CB -0.041 38.487 38.460 0.113 0.000 0.983 777 Y HN -0.126 nan 8.280 nan 0.000 0.483 778 E N -0.170 120.159 120.200 0.215 0.000 2.068 778 E HA -0.367 3.985 4.350 0.004 0.000 0.207 778 E C 2.152 178.756 176.600 0.006 0.000 1.032 778 E CA 1.982 58.425 56.400 0.072 0.000 0.839 778 E CB -0.279 29.535 29.700 0.190 0.000 0.758 778 E HN 0.508 nan 8.360 nan 0.000 0.457 779 E N -0.381 119.897 120.200 0.129 0.000 2.153 779 E HA -0.217 4.135 4.350 0.004 0.000 0.194 779 E C 1.748 178.424 176.600 0.127 0.000 0.988 779 E CA 1.006 57.507 56.400 0.168 0.000 0.811 779 E CB -0.190 29.675 29.700 0.274 0.000 0.746 779 E HN 0.338 nan 8.360 nan 0.000 0.466 780 Y N 0.161 120.396 120.300 -0.108 0.000 2.153 780 Y HA -0.149 4.403 4.550 0.004 0.000 0.289 780 Y C 2.079 177.646 175.900 -0.555 0.000 1.127 780 Y CA 1.794 59.566 58.100 -0.547 0.000 1.131 780 Y CB -0.597 37.584 38.460 -0.465 0.000 0.995 780 Y HN 0.059 nan 8.280 nan 0.000 0.505 781 V N -1.266 118.324 119.914 -0.539 0.000 2.515 781 V HA -0.158 3.964 4.120 0.004 0.000 0.250 781 V C 2.172 178.038 176.094 -0.380 0.000 1.058 781 V CA 1.737 63.693 62.300 -0.574 0.000 1.064 781 V CB -0.733 30.805 31.823 -0.474 0.000 0.675 781 V HN 0.168 nan 8.190 nan 0.000 0.461 782 K N 0.305 120.553 120.400 -0.252 0.000 2.032 782 K HA -0.167 4.156 4.320 0.004 0.000 0.209 782 K C 2.352 178.854 176.600 -0.164 0.000 1.048 782 K CA 1.818 58.018 56.287 -0.144 0.000 0.927 782 K CB -1.181 31.287 32.500 -0.053 0.000 0.712 782 K HN 0.640 nan 8.250 nan 0.000 0.441 783 C N 1.803 120.975 119.300 -0.213 0.000 2.435 783 C HA -0.054 4.408 4.460 0.004 0.000 0.279 783 C C 2.609 177.372 174.990 -0.379 0.000 1.321 783 C CA 0.651 59.553 59.018 -0.194 0.000 1.752 783 C CB -0.581 27.071 27.740 -0.146 0.000 1.959 783 C HN 0.393 nan 8.230 nan 0.000 0.500 784 Q N 0.450 119.907 119.800 -0.573 0.000 2.230 784 Q HA -0.111 4.231 4.340 0.004 0.000 0.202 784 Q C 2.047 177.835 176.000 -0.353 0.000 0.963 784 Q CA 1.341 56.771 55.803 -0.622 0.000 0.866 784 Q CB -0.334 27.814 28.738 -0.984 0.000 0.931 784 Q HN 0.771 nan 8.270 nan 0.000 0.452 785 E N 0.419 120.475 120.200 -0.240 0.000 2.106 785 E HA -0.125 4.227 4.350 0.004 0.000 0.192 785 E C 1.984 178.530 176.600 -0.089 0.000 0.984 785 E CA 0.504 56.828 56.400 -0.126 0.000 0.806 785 E CB -0.056 29.593 29.700 -0.085 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.458 786 R N 0.623 121.065 120.500 -0.097 0.000 2.148 786 R HA -0.044 4.298 4.340 0.004 0.000 0.223 786 R C 2.384 178.664 176.300 -0.033 0.000 1.088 786 R CA 0.709 56.815 56.100 0.010 0.000 0.985 786 R CB -0.173 30.200 30.300 0.121 0.000 0.880 786 R HN 0.059 nan 8.270 nan 0.000 0.451 787 V N 0.371 120.068 119.914 -0.363 0.000 2.323 787 V HA -0.196 3.927 4.120 0.004 0.000 0.244 787 V C 2.209 178.266 176.094 -0.062 0.000 1.041 787 V CA 1.736 63.768 62.300 -0.447 0.000 1.025 787 V CB -0.360 31.033 31.823 -0.716 0.000 0.656 787 V HN 0.245 nan 8.190 nan 0.000 0.451 788 S N 0.154 115.792 115.700 -0.103 0.000 2.374 788 S HA -0.228 4.245 4.470 0.004 0.000 0.227 788 S C 2.167 176.817 174.600 0.083 0.000 1.037 788 S CA 1.638 59.820 58.200 -0.030 0.000 1.024 788 S CB -0.444 62.716 63.200 -0.066 0.000 0.861 788 S HN 0.659 nan 8.310 nan 0.000 0.456 789 A N 0.571 123.443 122.820 0.087 0.000 1.929 789 A HA 0.058 4.380 4.320 0.004 0.000 0.216 789 A C 2.058 179.747 177.584 0.176 0.000 1.176 789 A CA 1.050 53.160 52.037 0.123 0.000 0.628 789 A CB -0.501 18.558 19.000 0.098 0.000 0.816 789 A HN 0.432 nan 8.150 nan 0.000 0.444 790 L N -2.040 119.339 121.223 0.261 0.000 2.156 790 L HA -0.006 4.336 4.340 0.004 0.000 0.208 790 L C 2.163 179.300 176.870 0.445 0.000 1.095 790 L CA 1.614 56.688 54.840 0.389 0.000 0.770 790 L CB -0.663 41.720 42.059 0.540 0.000 0.914 790 L HN 0.506 nan 8.230 nan 0.000 0.439 791 Y N 0.007 120.386 120.300 0.131 0.000 2.421 791 Y HA -0.193 4.359 4.550 0.003 0.000 0.292 791 Y C 2.429 178.225 175.900 -0.173 0.000 1.136 791 Y CA 1.507 59.383 58.100 -0.373 0.000 1.255 791 Y CB -0.015 38.135 38.460 -0.517 0.000 0.991 791 Y HN 0.149 nan 8.280 nan 0.000 0.552 792 K N 0.134 120.572 120.400 0.064 0.000 2.362 792 K HA -0.120 4.203 4.320 0.004 0.000 0.200 792 K C 0.256 176.841 176.600 -0.025 0.000 1.046 792 K CA 0.592 56.907 56.287 0.047 0.000 0.952 792 K CB -0.058 32.512 32.500 0.117 0.000 0.753 792 K HN 0.078 nan 8.250 nan 0.000 0.466 793 N N 0.565 119.264 118.700 -0.003 0.000 2.898 793 N HA 0.139 4.882 4.740 0.004 0.000 0.245 793 N C -2.432 173.076 175.510 -0.004 0.000 1.185 793 N CA -2.052 51.000 53.050 0.003 0.000 0.879 793 N CB 1.354 39.873 38.487 0.054 0.000 1.157 793 N HN -0.136 nan 8.380 nan 0.000 0.503 794 P HA -0.165 nan 4.420 nan 0.000 0.217 794 P C 1.409 178.715 177.300 0.009 0.000 1.151 794 P CA 1.135 64.167 63.100 -0.114 0.000 0.849 794 P CB 0.444 32.047 31.700 -0.161 0.000 0.787 795 R N -0.294 120.212 120.500 0.010 0.000 2.073 795 R HA -0.146 4.196 4.340 0.004 0.000 0.234 795 R C 2.108 178.444 176.300 0.060 0.000 1.134 795 R CA 1.330 57.447 56.100 0.028 0.000 0.952 795 R CB -0.337 29.972 30.300 0.016 0.000 0.850 795 R HN 0.099 nan 8.270 nan 0.000 0.433 796 E N -0.484 119.762 120.200 0.077 0.000 2.072 796 E HA -0.221 4.132 4.350 0.004 0.000 0.191 796 E C 1.542 178.207 176.600 0.108 0.000 0.985 796 E CA 0.884 57.333 56.400 0.082 0.000 0.801 796 E CB -0.445 29.305 29.700 0.083 0.000 0.750 796 E HN 0.409 nan 8.360 nan 0.000 0.452 797 W N 1.923 123.215 121.300 -0.013 0.000 2.318 797 W HA -0.225 4.437 4.660 0.002 0.000 0.313 797 W C 2.369 178.883 176.519 -0.007 0.000 1.221 797 W CA 2.669 60.016 57.345 0.003 0.000 1.266 797 W CB -0.422 29.008 29.460 -0.050 0.000 1.150 797 W HN 0.021 nan 8.180 nan 0.000 0.496 798 T N 0.165 114.841 114.554 0.203 0.000 2.777 798 T HA -0.153 4.199 4.350 0.004 0.000 0.266 798 T C 1.747 176.448 174.700 0.000 0.000 1.040 798 T CA 1.494 63.647 62.100 0.088 0.000 1.141 798 T CB -0.273 68.630 68.868 0.059 0.000 0.868 798 T HN 0.162 nan 8.240 nan 0.000 0.444 799 R N 0.716 121.224 120.500 0.014 0.000 2.091 799 R HA 0.013 4.355 4.340 0.004 0.000 0.238 799 R C 2.495 178.778 176.300 -0.027 0.000 1.136 799 R CA 1.308 57.417 56.100 0.015 0.000 0.959 799 R CB -0.515 29.801 30.300 0.027 0.000 0.856 799 R HN 0.373 nan 8.270 nan 0.000 0.437 800 M N 0.751 120.297 119.600 -0.090 0.000 2.117 800 M HA -0.153 4.330 4.480 0.004 0.000 0.262 800 M C 2.119 178.309 176.300 -0.183 0.000 1.065 800 M CA 1.464 56.667 55.300 -0.161 0.000 1.114 800 M CB 0.053 32.493 32.600 -0.266 0.000 1.361 800 M HN -0.051 nan 8.290 nan 0.000 0.408 801 V N 0.847 120.626 119.914 -0.225 0.000 2.287 801 V HA -0.320 3.802 4.120 0.004 0.000 0.248 801 V C 2.240 178.297 176.094 -0.062 0.000 1.053 801 V CA 2.140 64.330 62.300 -0.183 0.000 1.027 801 V CB -0.643 31.090 31.823 -0.150 0.000 0.646 801 V HN 0.522 nan 8.190 nan 0.000 0.447 802 I N -0.560 120.001 120.570 -0.015 0.000 2.118 802 I HA -0.347 3.825 4.170 0.004 0.000 0.241 802 I C 2.765 178.923 176.117 0.069 0.000 1.070 802 I CA 1.910 63.257 61.300 0.077 0.000 1.327 802 I CB -0.552 37.549 38.000 0.168 0.000 1.034 802 I HN 0.228 nan 8.210 nan 0.000 0.405 803 R N 0.639 121.158 120.500 0.032 0.000 2.103 803 R HA -0.176 4.166 4.340 0.004 0.000 0.242 803 R C 2.166 178.490 176.300 0.040 0.000 1.142 803 R CA 1.695 57.813 56.100 0.030 0.000 0.960 803 R CB -0.484 29.820 30.300 0.006 0.000 0.858 803 R HN 0.548 nan 8.270 nan 0.000 0.439 804 N N 0.594 119.306 118.700 0.019 0.000 2.039 804 N HA -0.164 4.578 4.740 0.004 0.000 0.193 804 N C 2.018 177.573 175.510 0.074 0.000 1.044 804 N CA 1.513 54.594 53.050 0.051 0.000 0.847 804 N CB -0.225 38.259 38.487 -0.004 0.000 1.030 804 N HN 0.168 nan 8.380 nan 0.000 0.422 805 I N 1.616 122.219 120.570 0.055 0.000 2.151 805 I HA -0.270 3.903 4.170 0.004 0.000 0.243 805 I C 2.491 178.655 176.117 0.078 0.000 1.080 805 I CA 1.178 62.519 61.300 0.068 0.000 1.339 805 I CB -0.413 37.623 38.000 0.060 0.000 1.039 805 I HN 0.111 nan 8.210 nan 0.000 0.409 806 A N -0.879 121.986 122.820 0.075 0.000 2.067 806 A HA -0.161 4.162 4.320 0.004 0.000 0.219 806 A C 2.230 179.853 177.584 0.066 0.000 1.158 806 A CA 1.992 54.066 52.037 0.062 0.000 0.661 806 A CB -0.593 18.443 19.000 0.061 0.000 0.801 806 A HN 0.375 nan 8.150 nan 0.000 0.452 807 T N -0.828 113.779 114.554 0.087 0.000 3.186 807 T HA 0.182 4.534 4.350 0.004 0.000 0.257 807 T C 1.344 176.139 174.700 0.158 0.000 1.029 807 T CA 0.786 62.944 62.100 0.096 0.000 0.916 807 T CB -0.434 68.490 68.868 0.093 0.000 1.041 807 T HN 0.589 nan 8.240 nan 0.000 0.562 808 S N -1.520 114.286 115.700 0.177 0.000 2.540 808 S HA 0.259 4.732 4.470 0.004 0.000 0.222 808 S C 2.246 177.017 174.600 0.285 0.000 1.008 808 S CA 0.519 58.904 58.200 0.309 0.000 0.939 808 S CB -0.029 63.311 63.200 0.234 0.000 0.865 808 S HN 0.373 nan 8.310 nan 0.000 0.499 809 G N 2.546 111.429 108.800 0.138 0.000 2.485 809 G HA2 -0.249 3.713 3.960 0.004 0.000 0.221 809 G HA3 -0.249 3.713 3.960 0.004 0.000 0.221 809 G C 1.330 176.233 174.900 0.006 0.000 1.115 809 G CA 0.980 46.132 45.100 0.086 0.000 0.751 809 G HN 0.570 nan 8.290 nan 0.000 0.567 810 K N -0.183 120.133 120.400 -0.141 0.000 2.360 810 K HA -0.050 4.272 4.320 0.004 0.000 0.201 810 K C 0.935 177.271 176.600 -0.441 0.000 1.046 810 K CA 0.660 56.724 56.287 -0.371 0.000 0.940 810 K CB -0.214 31.920 32.500 -0.609 0.000 0.748 810 K HN 0.423 nan 8.250 nan 0.000 0.465 811 F N 0.396 120.376 119.950 0.050 0.000 2.641 811 F HA 0.173 4.701 4.527 0.003 0.000 0.302 811 F C 0.792 176.638 175.800 0.076 0.000 1.098 811 F CA -0.487 57.550 58.000 0.061 0.000 1.318 811 F CB 0.375 39.407 39.000 0.053 0.000 1.035 811 F HN -0.174 nan 8.300 nan 0.000 0.551 812 S N 0.568 116.371 115.700 0.172 0.000 2.531 812 S HA 0.055 4.527 4.470 0.004 0.000 0.279 812 S C 1.488 176.174 174.600 0.144 0.000 1.305 812 S CA 0.039 58.325 58.200 0.144 0.000 1.058 812 S CB 0.643 63.898 63.200 0.092 0.000 0.899 812 S HN 0.379 nan 8.310 nan 0.000 0.493 813 S N 3.174 118.984 115.700 0.182 0.000 2.555 813 S HA -0.047 4.426 4.470 0.004 0.000 0.230 813 S C 0.842 175.516 174.600 0.123 0.000 0.978 813 S CA 0.637 58.975 58.200 0.229 0.000 0.934 813 S CB -0.271 63.139 63.200 0.351 0.000 0.766 813 S HN 0.770 nan 8.310 nan 0.000 0.533 814 D N 1.783 122.232 120.400 0.082 0.000 2.149 814 D HA -0.014 4.628 4.640 0.004 0.000 0.201 814 D C 2.101 178.412 176.300 0.019 0.000 0.972 814 D CA 0.610 54.633 54.000 0.039 0.000 0.835 814 D CB -0.289 40.527 40.800 0.026 0.000 0.966 814 D HN 0.270 nan 8.370 nan 0.000 0.476 815 R N 0.623 121.136 120.500 0.022 0.000 2.070 815 R HA -0.094 4.248 4.340 0.004 0.000 0.232 815 R C 1.931 178.224 176.300 -0.012 0.000 1.138 815 R CA 1.561 57.659 56.100 -0.004 0.000 0.936 815 R CB -0.848 29.441 30.300 -0.019 0.000 0.839 815 R HN 0.120 nan 8.270 nan 0.000 0.429 816 T N 2.397 116.965 114.554 0.022 0.000 2.624 816 T HA -0.171 4.181 4.350 0.004 0.000 0.268 816 T C 1.928 176.619 174.700 -0.014 0.000 1.041 816 T CA 1.546 63.666 62.100 0.034 0.000 1.159 816 T CB -0.216 68.745 68.868 0.154 0.000 0.863 816 T HN 0.125 nan 8.240 nan 0.000 0.434 817 I N 1.598 122.094 120.570 -0.123 0.000 2.264 817 I HA -0.170 4.002 4.170 0.004 0.000 0.248 817 I C 2.855 178.926 176.117 -0.076 0.000 1.111 817 I CA 1.142 62.334 61.300 -0.180 0.000 1.382 817 I CB -1.617 36.292 38.000 -0.153 0.000 1.060 817 I HN 0.212 nan 8.210 nan 0.000 0.418 818 A N 0.112 122.904 122.820 -0.046 0.000 1.877 818 A HA -0.243 4.079 4.320 0.004 0.000 0.216 818 A C 2.177 179.706 177.584 -0.092 0.000 1.186 818 A CA 1.428 53.441 52.037 -0.041 0.000 0.620 818 A CB -0.702 18.282 19.000 -0.027 0.000 0.822 818 A HN 0.522 nan 8.150 nan 0.000 0.443 819 Q N -2.047 117.677 119.800 -0.127 0.000 2.291 819 Q HA -0.182 4.160 4.340 0.004 0.000 0.206 819 Q C 1.691 177.470 176.000 -0.369 0.000 0.976 819 Q CA 1.454 57.132 55.803 -0.209 0.000 0.875 819 Q CB -0.241 28.368 28.738 -0.215 0.000 0.927 819 Q HN 0.859 nan 8.270 nan 0.000 0.450 820 Y N -0.129 119.873 120.300 -0.498 0.000 2.206 820 Y HA -0.091 4.461 4.550 0.004 0.000 0.292 820 Y C 2.429 177.754 175.900 -0.958 0.000 1.123 820 Y CA 1.024 58.555 58.100 -0.948 0.000 1.142 820 Y CB -0.254 37.297 38.460 -1.515 0.000 1.006 820 Y HN 0.093 nan 8.280 nan 0.000 0.518 821 A N 0.188 122.806 122.820 -0.336 0.000 1.933 821 A HA -0.174 4.148 4.320 0.004 0.000 0.218 821 A C 2.204 179.805 177.584 0.028 0.000 1.175 821 A CA 1.725 53.812 52.037 0.084 0.000 0.628 821 A CB -0.393 18.727 19.000 0.201 0.000 0.814 821 A HN 0.375 nan 8.150 nan 0.000 0.444 822 R N -0.793 119.671 120.500 -0.059 0.000 2.055 822 R HA 0.020 4.363 4.340 0.004 0.000 0.221 822 R C 1.739 178.006 176.300 -0.055 0.000 1.154 822 R CA 1.272 57.350 56.100 -0.038 0.000 0.975 822 R CB -0.266 30.006 30.300 -0.047 0.000 0.869 822 R HN 0.576 nan 8.270 nan 0.000 0.437 823 E N -0.195 119.935 120.200 -0.117 0.000 2.502 823 E HA 0.039 4.391 4.350 0.004 0.000 0.194 823 E C 1.190 177.736 176.600 -0.090 0.000 1.062 823 E CA 0.510 56.848 56.400 -0.104 0.000 0.867 823 E CB 0.439 30.054 29.700 -0.142 0.000 0.888 823 E HN 0.347 nan 8.360 nan 0.000 0.510 824 I N -1.872 118.627 120.570 -0.119 0.000 3.859 824 I HA 0.001 4.173 4.170 0.004 0.000 0.266 824 I C 0.983 177.209 176.117 0.181 0.000 1.132 824 I CA -0.141 61.134 61.300 -0.043 0.000 1.361 824 I CB 0.335 38.152 38.000 -0.306 0.000 1.690 824 I HN 0.125 nan 8.210 nan 0.000 0.424 825 W N 1.486 122.864 121.300 0.129 0.000 2.640 825 W HA 0.333 4.995 4.660 0.004 0.000 0.268 825 W C 1.595 178.141 176.519 0.045 0.000 1.263 825 W CA 0.960 58.367 57.345 0.104 0.000 1.344 825 W CB -0.956 28.559 29.460 0.091 0.000 1.093 825 W HN 0.354 nan 8.180 nan 0.000 0.603 826 G N 0.909 109.842 108.800 0.221 0.000 2.198 826 G HA2 -0.186 3.776 3.960 0.004 0.000 0.257 826 G HA3 -0.186 3.776 3.960 0.004 0.000 0.257 826 G C -0.114 174.849 174.900 0.105 0.000 1.042 826 G CA 0.282 45.451 45.100 0.115 0.000 0.791 826 G HN 0.222 nan 8.290 nan 0.000 0.502 827 V N -3.992 116.012 119.914 0.150 0.000 2.994 827 V HA 0.919 5.041 4.120 0.004 0.000 0.318 827 V C 0.011 176.157 176.094 0.087 0.000 1.085 827 V CA -1.648 60.713 62.300 0.102 0.000 0.998 827 V CB 2.216 34.102 31.823 0.104 0.000 1.063 827 V HN 0.134 nan 8.190 nan 0.000 0.447 828 E N 1.796 122.028 120.200 0.054 0.000 2.166 828 E HA 0.531 4.883 4.350 0.004 0.000 0.275 828 E C -2.636 173.992 176.600 0.046 0.000 0.941 828 E CA -1.809 54.617 56.400 0.044 0.000 0.784 828 E CB 1.968 31.685 29.700 0.027 0.000 1.115 828 E HN 0.655 nan 8.360 nan 0.000 0.399 829 P HA 0.063 nan 4.420 nan 0.000 0.268 829 P C -0.786 176.535 177.300 0.034 0.000 1.205 829 P CA -0.069 63.058 63.100 0.045 0.000 0.771 829 P CB 0.683 32.406 31.700 0.038 0.000 0.858 830 S N 1.793 117.514 115.700 0.035 0.000 2.557 830 S HA 0.396 4.869 4.470 0.004 0.000 0.291 830 S C 0.329 174.948 174.600 0.030 0.000 1.116 830 S CA -0.768 57.450 58.200 0.031 0.000 0.992 830 S CB 1.099 64.320 63.200 0.033 0.000 1.028 830 S HN 0.322 nan 8.310 nan 0.000 0.484 831 R N 1.917 122.432 120.500 0.026 0.000 2.359 831 R HA 0.221 4.563 4.340 0.004 0.000 0.231 831 R C 0.740 177.052 176.300 0.020 0.000 0.913 831 R CA -0.072 56.044 56.100 0.027 0.000 1.075 831 R CB 0.216 30.533 30.300 0.028 0.000 1.087 831 R HN 0.672 nan 8.270 nan 0.000 0.515 832 Q N 1.216 121.026 119.800 0.016 0.000 2.392 832 Q HA 0.020 4.362 4.340 0.004 0.000 0.262 832 Q C -0.208 175.788 176.000 -0.007 0.000 1.003 832 Q CA 0.212 56.018 55.803 0.006 0.000 0.888 832 Q CB 0.842 29.585 28.738 0.008 0.000 1.260 832 Q HN 0.129 nan 8.270 nan 0.000 0.435 833 R N 1.692 122.182 120.500 -0.017 0.000 2.726 833 R HA 0.300 4.642 4.340 0.004 0.000 0.272 833 R C -0.969 175.300 176.300 -0.051 0.000 1.097 833 R CA -0.323 55.757 56.100 -0.033 0.000 1.198 833 R CB 0.432 30.713 30.300 -0.032 0.000 1.114 833 R HN 0.429 nan 8.270 nan 0.000 0.550 834 L N 2.975 124.158 121.223 -0.066 0.000 2.381 834 L HA 0.417 4.760 4.340 0.004 0.000 0.268 834 L C -1.661 175.171 176.870 -0.063 0.000 0.997 834 L CA -1.878 52.905 54.840 -0.096 0.000 0.818 834 L CB 1.967 43.942 42.059 -0.140 0.000 1.310 834 L HN 0.631 nan 8.230 nan 0.000 0.416 835 P HA 0.054 nan 4.420 nan 0.000 0.196 835 P C -0.564 176.727 177.300 -0.015 0.000 1.105 835 P CA 0.741 63.825 63.100 -0.026 0.000 0.866 835 P CB 0.052 31.744 31.700 -0.014 0.000 0.706 836 A N -0.203 122.614 122.820 -0.004 0.000 2.109 836 A HA -0.003 4.320 4.320 0.004 0.000 0.556 836 A C -1.798 175.795 177.584 0.015 0.000 0.434 836 A CA -0.191 51.852 52.037 0.009 0.000 0.334 836 A CB -2.775 16.232 19.000 0.012 0.000 3.228 836 A HN 0.447 nan 8.150 nan 0.000 0.445 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.110 63.100 0.017 0.000 0.800 837 P CB 0.000 31.710 31.700 0.017 0.000 0.726