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 3e7w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLLHAIQTH AETYPQTDAF RSQGQSLTYQ ELWEQSDRAA AAIQKRISGE DATA SEQUENCE KKSPILVYGH MEPHMIVSFL GSVKAGHPYI PVDLSIPSER IAKIIESSGA DATA SEQUENCE ELLIHAAGLS IDAVGQQIQT VSAEELLENE GGSVSQDQWV KEHETFYIIY DATA SEQUENCE TSGSTGNPKG VQISAANLQS FTDWICADFP VSGGKIFLNQ APFSFDLSVM DATA SEQUENCE DLYPCLQSGG TLHCVTKDAV NKPKVLFEEL KKSGLNVWTS TPSFVQMCLM DATA SEQUENCE DPGFSQDLLP HADTFMFCGE VLPVSVAKAL LERFPKAKIF NTYGPTEATV DATA SEQUENCE AVTSVEITND VISRSESLPV GFAKPDMNIF IMDEEGQPLP EGEKGEIVIA DATA SEQUENCE GPSVSRGYLG EPELTEKAFF SHEGQWAYRT GDAGFIQDGQ IFCQGRLDFQ DATA SEQUENCE IKLHGYRMEL EEIEFHVRQS QYVRSAVVIP YQPNGTVEYL IAAIVPEEHE DATA SEQUENCE FEKEFQLTSA IKKELAASLP AYMIPRKFIY QDHIQMTANG KIDRKRIGEE DATA SEQUENCE VLVRSHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.383 176.300 0.139 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.653 32.600 0.088 0.000 1.302 2 K N 2.655 123.179 120.400 0.208 0.000 2.542 2 K HA 0.006 4.326 4.320 0.001 0.000 0.276 2 K C 0.508 177.199 176.600 0.151 0.000 0.963 2 K CA 0.262 56.662 56.287 0.188 0.000 0.975 2 K CB 0.554 33.221 32.500 0.278 0.000 0.901 2 K HN 0.702 nan 8.250 nan 0.000 0.506 3 L N 4.453 125.721 121.223 0.075 0.000 2.013 3 L HA -0.170 4.171 4.340 0.001 0.000 0.212 3 L C 1.713 178.641 176.870 0.096 0.000 1.073 3 L CA 1.887 56.762 54.840 0.058 0.000 0.753 3 L CB -0.582 41.445 42.059 -0.053 0.000 0.890 3 L HN 0.837 nan 8.230 nan 0.000 0.432 4 L N -1.396 119.866 121.223 0.064 0.000 2.046 4 L HA -0.223 4.118 4.340 0.001 0.000 0.208 4 L C 2.657 179.510 176.870 -0.029 0.000 1.077 4 L CA 1.089 55.919 54.840 -0.017 0.000 0.747 4 L CB -1.006 40.875 42.059 -0.296 0.000 0.896 4 L HN 0.411 nan 8.230 nan 0.000 0.432 5 H N -0.285 118.890 119.070 0.174 0.000 2.457 5 H HA -0.021 4.536 4.556 0.001 0.000 0.294 5 H C 2.244 177.583 175.328 0.018 0.000 1.064 5 H CA 1.273 57.412 56.048 0.151 0.000 1.330 5 H CB 0.038 29.918 29.762 0.196 0.000 1.395 5 H HN 0.355 nan 8.280 nan 0.000 0.541 6 A N 0.869 123.786 122.820 0.162 0.000 1.929 6 A HA -0.059 4.262 4.320 0.001 0.000 0.216 6 A C 2.603 180.246 177.584 0.097 0.000 1.176 6 A CA 0.820 52.926 52.037 0.115 0.000 0.628 6 A CB -0.568 18.504 19.000 0.120 0.000 0.816 6 A HN 0.267 nan 8.150 nan 0.000 0.444 7 I N -0.630 120.004 120.570 0.107 0.000 2.315 7 I HA -0.269 3.902 4.170 0.001 0.000 0.248 7 I C 2.763 178.847 176.117 -0.055 0.000 1.117 7 I CA 1.696 63.110 61.300 0.191 0.000 1.404 7 I CB -0.322 37.867 38.000 0.315 0.000 1.071 7 I HN 0.531 nan 8.210 nan 0.000 0.419 8 Q N 0.717 120.177 119.800 -0.567 0.000 2.079 8 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 8 Q C 2.096 177.825 176.000 -0.451 0.000 0.974 8 Q CA 2.153 57.268 55.803 -1.146 0.000 0.840 8 Q CB 0.013 27.930 28.738 -1.369 0.000 0.898 8 Q HN 0.401 nan 8.270 nan 0.000 0.430 9 T N 0.326 114.760 114.554 -0.200 0.000 2.684 9 T HA -0.211 4.139 4.350 0.001 0.000 0.267 9 T C 1.592 176.238 174.700 -0.089 0.000 1.036 9 T CA 1.421 63.458 62.100 -0.106 0.000 1.148 9 T CB -0.501 68.350 68.868 -0.028 0.000 0.863 9 T HN 0.431 nan 8.240 nan 0.000 0.436 10 H N 0.979 119.989 119.070 -0.100 0.000 2.387 10 H HA 0.066 4.623 4.556 0.001 0.000 0.299 10 H C 2.391 177.671 175.328 -0.080 0.000 1.090 10 H CA 1.522 57.505 56.048 -0.109 0.000 1.332 10 H CB -0.266 29.269 29.762 -0.379 0.000 1.386 10 H HN 0.369 nan 8.280 nan 0.000 0.516 11 A N 0.653 123.545 122.820 0.120 0.000 1.969 11 A HA -0.131 4.190 4.320 0.001 0.000 0.218 11 A C 2.312 179.900 177.584 0.007 0.000 1.169 11 A CA 1.467 53.595 52.037 0.152 0.000 0.635 11 A CB -0.212 18.879 19.000 0.151 0.000 0.810 11 A HN 0.525 nan 8.150 nan 0.000 0.445 12 E N -1.157 118.981 120.200 -0.104 0.000 2.122 12 E HA -0.054 4.297 4.350 0.001 0.000 0.190 12 E C 1.922 178.407 176.600 -0.190 0.000 0.977 12 E CA 1.352 57.679 56.400 -0.122 0.000 0.820 12 E CB -0.035 29.583 29.700 -0.137 0.000 0.770 12 E HN 0.585 nan 8.360 nan 0.000 0.462 13 T N -0.206 114.160 114.554 -0.314 0.000 2.781 13 T HA -0.042 4.309 4.350 0.001 0.000 0.252 13 T C 0.234 174.460 174.700 -0.790 0.000 1.039 13 T CA 0.879 62.608 62.100 -0.618 0.000 1.147 13 T CB -0.091 68.257 68.868 -0.866 0.000 0.865 13 T HN 0.111 nan 8.240 nan 0.000 0.423 14 Y N 1.742 121.874 120.300 -0.280 0.000 2.726 14 Y HA 0.309 4.860 4.550 0.001 0.000 0.367 14 Y C -1.769 174.126 175.900 -0.008 0.000 1.038 14 Y CA -2.744 55.239 58.100 -0.194 0.000 1.174 14 Y CB 0.663 38.902 38.460 -0.368 0.000 1.265 14 Y HN 0.154 nan 8.280 nan 0.000 0.622 15 P HA -0.216 nan 4.420 nan 0.000 0.215 15 P C 0.703 178.124 177.300 0.202 0.000 1.153 15 P CA 1.601 64.795 63.100 0.157 0.000 0.853 15 P CB 0.549 32.300 31.700 0.086 0.000 0.788 16 Q N 0.092 119.992 119.800 0.166 0.000 2.403 16 Q HA 0.057 4.397 4.340 0.001 0.000 0.203 16 Q C 0.815 176.925 176.000 0.184 0.000 0.932 16 Q CA 0.454 56.350 55.803 0.154 0.000 0.945 16 Q CB -0.996 27.806 28.738 0.107 0.000 1.045 16 Q HN 0.374 nan 8.270 nan 0.000 0.511 17 T N -0.918 113.789 114.554 0.255 0.000 2.897 17 T HA 0.243 4.594 4.350 0.001 0.000 0.294 17 T C 0.062 174.953 174.700 0.319 0.000 1.004 17 T CA -0.830 61.425 62.100 0.258 0.000 1.106 17 T CB 1.245 70.281 68.868 0.280 0.000 0.949 17 T HN -0.164 nan 8.240 nan 0.000 0.520 18 D N 1.380 121.911 120.400 0.219 0.000 2.389 18 D HA 0.440 5.080 4.640 0.001 0.000 0.247 18 D C 0.847 177.262 176.300 0.192 0.000 1.128 18 D CA -0.162 53.940 54.000 0.171 0.000 0.884 18 D CB 1.250 42.108 40.800 0.097 0.000 1.194 18 D HN 0.732 nan 8.370 nan 0.000 0.441 19 A N 2.591 125.416 122.820 0.008 0.000 2.013 19 A HA 0.162 4.483 4.320 0.001 0.000 0.204 19 A C 0.189 177.737 177.584 -0.060 0.000 1.262 19 A CA 0.190 52.045 52.037 -0.302 0.000 0.800 19 A CB 0.334 18.752 19.000 -0.971 0.000 0.909 19 A HN 0.439 nan 8.150 nan 0.000 0.472 20 F N -0.060 119.778 119.950 -0.187 0.000 2.565 20 F HA 0.701 5.229 4.527 0.001 0.000 0.313 20 F C -0.540 175.187 175.800 -0.123 0.000 1.091 20 F CA -0.863 57.041 58.000 -0.159 0.000 0.915 20 F CB 1.695 40.579 39.000 -0.193 0.000 1.208 20 F HN -0.041 nan 8.300 nan 0.000 0.453 21 R N 3.117 123.273 120.500 -0.574 0.000 2.533 21 R HA 0.619 4.959 4.340 0.001 0.000 0.288 21 R C -1.671 174.194 176.300 -0.725 0.000 1.039 21 R CA -0.955 54.870 56.100 -0.458 0.000 0.909 21 R CB 2.130 32.230 30.300 -0.334 0.000 1.195 21 R HN 0.563 nan 8.270 nan 0.000 0.438 22 S N 1.971 117.405 115.700 -0.443 0.000 2.605 22 S HA 0.097 4.568 4.470 0.001 0.000 0.279 22 S C -1.155 173.339 174.600 -0.176 0.000 1.166 22 S CA -0.523 57.457 58.200 -0.366 0.000 0.975 22 S CB 0.967 64.010 63.200 -0.263 0.000 1.111 22 S HN 0.710 nan 8.310 nan 0.000 0.465 23 Q N 2.692 122.399 119.800 -0.154 0.000 2.437 23 Q HA -0.241 4.100 4.340 0.001 0.000 0.354 23 Q C 1.091 177.059 176.000 -0.052 0.000 1.402 23 Q CA 1.099 56.862 55.803 -0.067 0.000 1.020 23 Q CB -1.741 26.980 28.738 -0.029 0.000 1.220 23 Q HN 1.713 nan 8.270 nan 0.000 0.368 24 G N -0.450 108.315 108.800 -0.058 0.000 2.257 24 G HA2 -0.368 3.592 3.960 0.001 0.000 0.267 24 G HA3 -0.368 3.592 3.960 0.001 0.000 0.267 24 G C 0.106 174.984 174.900 -0.037 0.000 0.984 24 G CA 0.770 45.850 45.100 -0.033 0.000 0.626 24 G HN 0.478 nan 8.290 nan 0.000 0.540 25 Q N 0.625 120.395 119.800 -0.051 0.000 2.235 25 Q HA 0.578 4.919 4.340 0.001 0.000 0.250 25 Q C 0.065 176.050 176.000 -0.025 0.000 0.909 25 Q CA 0.263 56.047 55.803 -0.032 0.000 0.910 25 Q CB 1.750 30.472 28.738 -0.027 0.000 1.223 25 Q HN 0.645 nan 8.270 nan 0.000 0.432 26 S N 1.710 117.411 115.700 0.001 0.000 2.548 26 S HA 0.738 5.208 4.470 0.001 0.000 0.286 26 S C -1.301 173.327 174.600 0.046 0.000 1.098 26 S CA -0.873 57.340 58.200 0.022 0.000 0.930 26 S CB 1.538 64.746 63.200 0.014 0.000 1.070 26 S HN 0.427 nan 8.310 nan 0.000 0.480 27 L N 2.805 124.072 121.223 0.073 0.000 2.441 27 L HA 0.586 4.927 4.340 0.001 0.000 0.270 27 L C 0.269 177.162 176.870 0.038 0.000 0.973 27 L CA 0.090 54.955 54.840 0.042 0.000 0.842 27 L CB 1.867 43.934 42.059 0.013 0.000 1.239 27 L HN 1.108 nan 8.230 nan 0.000 0.406 28 T N 0.627 115.218 114.554 0.062 0.000 2.788 28 T HA 0.146 4.497 4.350 0.001 0.000 0.287 28 T C 1.173 175.944 174.700 0.118 0.000 1.007 28 T CA 0.181 62.355 62.100 0.124 0.000 1.005 28 T CB 0.393 69.353 68.868 0.154 0.000 1.012 28 T HN 0.457 nan 8.240 nan 0.000 0.530 29 Y N 0.067 120.445 120.300 0.129 0.000 2.274 29 Y HA -0.094 4.457 4.550 0.001 0.000 0.290 29 Y C 3.041 179.049 175.900 0.180 0.000 1.145 29 Y CA 1.779 59.972 58.100 0.155 0.000 1.203 29 Y CB -0.278 38.313 38.460 0.218 0.000 0.984 29 Y HN 0.756 nan 8.280 nan 0.000 0.533 30 Q N 0.273 120.253 119.800 0.299 0.000 2.083 30 Q HA -0.203 4.138 4.340 0.001 0.000 0.198 30 Q C 1.830 177.946 176.000 0.193 0.000 0.969 30 Q CA 1.602 57.548 55.803 0.239 0.000 0.838 30 Q CB -0.007 28.834 28.738 0.172 0.000 0.900 30 Q HN 0.555 nan 8.270 nan 0.000 0.436 31 E N 0.303 120.581 120.200 0.129 0.000 2.110 31 E HA -0.210 4.140 4.350 0.001 0.000 0.193 31 E C 2.048 178.671 176.600 0.038 0.000 0.988 31 E CA 0.976 57.419 56.400 0.071 0.000 0.804 31 E CB -0.097 29.629 29.700 0.044 0.000 0.745 31 E HN 0.238 nan 8.360 nan 0.000 0.458 32 L N 0.911 122.152 121.223 0.031 0.000 1.994 32 L HA -0.162 4.179 4.340 0.001 0.000 0.208 32 L C 2.034 178.913 176.870 0.015 0.000 1.071 32 L CA 1.809 56.627 54.840 -0.037 0.000 0.745 32 L CB -0.695 41.301 42.059 -0.104 0.000 0.892 32 L HN 0.330 nan 8.230 nan 0.000 0.431 33 W N 0.518 121.801 121.300 -0.028 0.000 2.354 33 W HA -0.176 4.485 4.660 0.001 0.000 0.315 33 W C 2.200 178.713 176.519 -0.010 0.000 1.206 33 W CA 1.688 59.026 57.345 -0.011 0.000 1.290 33 W CB 0.021 29.514 29.460 0.053 0.000 1.152 33 W HN 0.245 nan 8.180 nan 0.000 0.489 34 E N 0.409 120.694 120.200 0.142 0.000 2.110 34 E HA -0.228 4.123 4.350 0.001 0.000 0.193 34 E C 1.981 178.529 176.600 -0.086 0.000 0.988 34 E CA 1.449 57.873 56.400 0.040 0.000 0.804 34 E CB -0.605 29.162 29.700 0.111 0.000 0.745 34 E HN 0.573 nan 8.360 nan 0.000 0.458 35 Q N 0.333 120.077 119.800 -0.092 0.000 2.083 35 Q HA -0.078 4.262 4.340 0.001 0.000 0.198 35 Q C 2.320 178.189 176.000 -0.218 0.000 0.969 35 Q CA 1.635 57.359 55.803 -0.132 0.000 0.838 35 Q CB -0.042 28.633 28.738 -0.106 0.000 0.900 35 Q HN 0.261 nan 8.270 nan 0.000 0.436 36 S N 0.471 115.999 115.700 -0.287 0.000 2.399 36 S HA -0.183 4.288 4.470 0.001 0.000 0.231 36 S C 1.288 175.651 174.600 -0.395 0.000 1.022 36 S CA 1.575 59.561 58.200 -0.357 0.000 0.983 36 S CB -0.229 62.722 63.200 -0.415 0.000 0.803 36 S HN 0.263 nan 8.310 nan 0.000 0.480 37 D N 1.205 121.329 120.400 -0.460 0.000 2.178 37 D HA 0.048 4.689 4.640 0.001 0.000 0.202 37 D C 2.365 178.552 176.300 -0.189 0.000 0.974 37 D CA 0.839 54.622 54.000 -0.362 0.000 0.841 37 D CB 0.054 40.648 40.800 -0.345 0.000 0.953 37 D HN 0.390 nan 8.370 nan 0.000 0.478 38 R N -0.121 120.279 120.500 -0.167 0.000 2.093 38 R HA 0.101 4.441 4.340 0.001 0.000 0.224 38 R C 2.216 178.436 176.300 -0.133 0.000 1.101 38 R CA 0.988 57.016 56.100 -0.119 0.000 0.979 38 R CB -0.103 30.136 30.300 -0.102 0.000 0.877 38 R HN 0.074 nan 8.270 nan 0.000 0.441 39 A N 1.312 124.027 122.820 -0.175 0.000 1.898 39 A HA -0.083 4.237 4.320 0.001 0.000 0.216 39 A C 2.362 179.854 177.584 -0.152 0.000 1.181 39 A CA 1.573 53.501 52.037 -0.182 0.000 0.620 39 A CB -0.648 18.215 19.000 -0.228 0.000 0.819 39 A HN 0.372 nan 8.150 nan 0.000 0.442 40 A N -0.016 122.712 122.820 -0.154 0.000 1.908 40 A HA 0.085 4.406 4.320 0.001 0.000 0.218 40 A C 2.501 180.043 177.584 -0.070 0.000 1.181 40 A CA 2.315 54.286 52.037 -0.109 0.000 0.627 40 A CB -1.015 17.919 19.000 -0.109 0.000 0.818 40 A HN 1.054 nan 8.150 nan 0.000 0.445 41 A N -0.259 122.519 122.820 -0.069 0.000 1.873 41 A HA 0.194 4.514 4.320 0.001 0.000 0.215 41 A C 2.522 180.073 177.584 -0.056 0.000 1.186 41 A CA 2.055 54.064 52.037 -0.045 0.000 0.616 41 A CB -1.082 17.894 19.000 -0.040 0.000 0.823 41 A HN 1.123 nan 8.150 nan 0.000 0.442 42 A N -0.184 122.590 122.820 -0.077 0.000 1.972 42 A HA -0.074 4.246 4.320 0.001 0.000 0.219 42 A C 2.092 179.623 177.584 -0.089 0.000 1.169 42 A CA 1.493 53.481 52.037 -0.082 0.000 0.635 42 A CB -0.601 18.339 19.000 -0.101 0.000 0.810 42 A HN 0.519 nan 8.150 nan 0.000 0.446 43 I N -0.704 119.804 120.570 -0.104 0.000 2.252 43 I HA -0.269 3.902 4.170 0.001 0.000 0.245 43 I C 2.386 178.433 176.117 -0.116 0.000 1.102 43 I CA 1.253 62.475 61.300 -0.129 0.000 1.385 43 I CB -0.433 37.472 38.000 -0.158 0.000 1.064 43 I HN 0.421 nan 8.210 nan 0.000 0.414 44 Q N 0.674 120.433 119.800 -0.070 0.000 2.541 44 Q HA -0.140 4.201 4.340 0.001 0.000 0.215 44 Q C 1.548 177.531 176.000 -0.028 0.000 0.977 44 Q CA 0.767 56.553 55.803 -0.029 0.000 0.934 44 Q CB 0.042 28.785 28.738 0.009 0.000 0.988 44 Q HN 0.488 nan 8.270 nan 0.000 0.521 45 K N -0.457 119.917 120.400 -0.043 0.000 2.354 45 K HA 0.112 4.432 4.320 0.001 0.000 0.194 45 K C 1.378 177.954 176.600 -0.039 0.000 1.038 45 K CA 0.134 56.400 56.287 -0.035 0.000 1.052 45 K CB 0.549 33.027 32.500 -0.036 0.000 0.861 45 K HN 0.039 nan 8.250 nan 0.000 0.535 46 R N 0.317 120.783 120.500 -0.056 0.000 2.316 46 R HA 0.260 4.601 4.340 0.001 0.000 0.201 46 R C 0.866 177.134 176.300 -0.053 0.000 0.888 46 R CA 0.154 56.222 56.100 -0.055 0.000 1.041 46 R CB 0.435 30.694 30.300 -0.068 0.000 1.115 46 R HN 0.118 nan 8.270 nan 0.000 0.559 47 I N -3.729 116.801 120.570 -0.066 0.000 3.145 47 I HA 0.509 4.680 4.170 0.001 0.000 0.313 47 I C -0.537 175.579 176.117 -0.001 0.000 1.122 47 I CA -1.200 60.071 61.300 -0.048 0.000 0.987 47 I CB 2.155 40.091 38.000 -0.107 0.000 1.236 47 I HN -0.273 nan 8.210 nan 0.000 0.453 48 S N 0.907 116.635 115.700 0.045 0.000 2.554 48 S HA 0.555 5.025 4.470 0.001 0.000 0.278 48 S C 0.809 175.498 174.600 0.148 0.000 1.242 48 S CA -0.020 58.223 58.200 0.072 0.000 1.051 48 S CB 1.165 64.393 63.200 0.047 0.000 0.986 48 S HN 0.959 nan 8.310 nan 0.000 0.502 49 G N 2.343 111.210 108.800 0.112 0.000 3.042 49 G HA2 0.057 4.017 3.960 0.001 0.000 0.212 49 G HA3 0.057 4.017 3.960 0.001 0.000 0.212 49 G C 0.931 175.838 174.900 0.011 0.000 1.166 49 G CA 0.110 45.262 45.100 0.087 0.000 0.767 49 G HN 0.852 nan 8.290 nan 0.000 0.546 50 E N 0.411 120.626 120.200 0.024 0.000 2.097 50 E HA -0.117 4.234 4.350 0.001 0.000 0.196 50 E C 0.722 177.314 176.600 -0.013 0.000 1.000 50 E CA 0.924 57.326 56.400 0.004 0.000 0.804 50 E CB 0.032 29.740 29.700 0.013 0.000 0.740 50 E HN 0.368 nan 8.360 nan 0.000 0.454 51 K N -0.318 120.077 120.400 -0.007 0.000 2.238 51 K HA 0.302 4.623 4.320 0.001 0.000 0.239 51 K C -0.535 176.007 176.600 -0.097 0.000 0.987 51 K CA -0.895 55.375 56.287 -0.029 0.000 0.857 51 K CB 1.298 33.800 32.500 0.004 0.000 1.154 51 K HN -0.235 nan 8.250 nan 0.000 0.439 52 K N 1.725 122.054 120.400 -0.119 0.000 2.765 52 K HA 0.097 4.418 4.320 0.001 0.000 0.246 52 K C -0.383 176.166 176.600 -0.085 0.000 1.254 52 K CA -0.102 56.055 56.287 -0.216 0.000 1.219 52 K CB -0.126 32.280 32.500 -0.156 0.000 1.747 52 K HN 0.710 nan 8.250 nan 0.000 0.372 53 S N 0.632 116.354 115.700 0.036 0.000 2.562 53 S HA 0.313 4.784 4.470 0.001 0.000 0.281 53 S C -2.447 172.284 174.600 0.218 0.000 1.333 53 S CA -1.085 57.203 58.200 0.146 0.000 1.052 53 S CB 0.660 63.962 63.200 0.170 0.000 0.884 53 S HN 0.070 nan 8.310 nan 0.000 0.506 54 P HA 0.419 nan 4.420 nan 0.000 0.277 54 P C -0.836 176.537 177.300 0.120 0.000 1.240 54 P CA -0.465 62.713 63.100 0.132 0.000 0.798 54 P CB 0.413 32.186 31.700 0.121 0.000 0.979 55 I N 2.455 123.101 120.570 0.127 0.000 2.411 55 I HA 0.209 4.379 4.170 0.001 0.000 0.284 55 I C -0.414 175.786 176.117 0.139 0.000 1.012 55 I CA -0.923 60.431 61.300 0.090 0.000 1.119 55 I CB 1.084 39.117 38.000 0.055 0.000 1.261 55 I HN 0.083 nan 8.210 nan 0.000 0.448 56 L N 7.290 128.576 121.223 0.105 0.000 2.416 56 L HA 0.205 4.546 4.340 0.001 0.000 0.272 56 L C -0.014 176.956 176.870 0.167 0.000 1.161 56 L CA 0.253 55.176 54.840 0.139 0.000 0.845 56 L CB 0.913 43.019 42.059 0.077 0.000 1.119 56 L HN 0.279 nan 8.230 nan 0.000 0.464 57 V N 4.445 124.505 119.914 0.245 0.000 2.326 57 V HA 0.255 4.376 4.120 0.001 0.000 0.281 57 V C -0.905 175.359 176.094 0.282 0.000 1.015 57 V CA -0.711 61.720 62.300 0.219 0.000 0.823 57 V CB 0.958 32.943 31.823 0.269 0.000 1.009 57 V HN 0.490 nan 8.190 nan 0.000 0.436 58 Y N 4.261 124.619 120.300 0.095 0.000 2.331 58 Y HA 0.843 5.393 4.550 0.001 0.000 0.338 58 Y C 0.456 176.419 175.900 0.104 0.000 0.992 58 Y CA 0.446 58.611 58.100 0.108 0.000 1.121 58 Y CB 1.578 40.102 38.460 0.107 0.000 1.184 58 Y HN 0.782 nan 8.280 nan 0.000 0.469 59 G N 3.650 112.235 108.800 -0.359 0.000 2.399 59 G HA2 0.073 4.034 3.960 0.001 0.000 0.256 59 G HA3 0.073 4.034 3.960 0.001 0.000 0.256 59 G C -1.392 173.448 174.900 -0.099 0.000 1.236 59 G CA 0.014 44.948 45.100 -0.276 0.000 0.914 59 G HN 0.614 nan 8.290 nan 0.000 0.482 60 H N -0.742 118.267 119.070 -0.102 0.000 4.643 60 H HA 0.611 5.168 4.556 0.001 0.000 0.109 60 H C 1.318 176.685 175.328 0.066 0.000 1.249 60 H CA 0.629 56.652 56.048 -0.042 0.000 0.820 60 H CB 0.410 30.136 29.762 -0.060 0.000 1.474 60 H HN 0.220 nan 8.280 nan 0.000 0.233 61 M N 1.454 121.029 119.600 -0.042 0.000 2.809 61 M HA 0.247 4.727 4.480 0.001 0.000 0.388 61 M C -0.856 175.587 176.300 0.237 0.000 1.248 61 M CA -0.117 55.240 55.300 0.095 0.000 0.885 61 M CB 1.164 33.669 32.600 -0.158 0.000 1.386 61 M HN 0.209 nan 8.290 nan 0.000 0.509 62 E N 1.087 121.354 120.200 0.111 0.000 2.390 62 E HA 0.069 4.420 4.350 0.001 0.000 0.261 62 E C -1.690 174.872 176.600 -0.064 0.000 1.076 62 E CA -1.173 55.254 56.400 0.045 0.000 0.905 62 E CB 0.428 30.103 29.700 -0.041 0.000 0.984 62 E HN -0.014 nan 8.360 nan 0.000 0.427 63 P HA -0.169 nan 4.420 nan 0.000 0.219 63 P C 0.305 177.322 177.300 -0.471 0.000 1.146 63 P CA 1.284 64.120 63.100 -0.439 0.000 0.808 63 P CB 0.129 31.732 31.700 -0.160 0.000 0.779 64 H N -2.365 116.482 119.070 -0.371 0.000 2.546 64 H HA 0.021 4.577 4.556 0.001 0.000 0.277 64 H C 1.763 176.785 175.328 -0.510 0.000 1.004 64 H CA 0.080 55.904 56.048 -0.372 0.000 1.231 64 H CB 0.005 29.623 29.762 -0.240 0.000 1.382 64 H HN 0.048 nan 8.280 nan 0.000 0.580 65 M N 0.253 119.544 119.600 -0.516 0.000 2.064 65 M HA -0.157 4.323 4.480 0.001 0.000 0.260 65 M C 2.465 177.904 176.300 -1.436 0.000 1.073 65 M CA 1.284 56.048 55.300 -0.893 0.000 1.124 65 M CB -0.752 31.370 32.600 -0.796 0.000 1.326 65 M HN 0.344 nan 8.290 nan 0.000 0.410 66 I N 0.108 119.910 120.570 -1.280 0.000 2.394 66 I HA -0.193 3.977 4.170 0.001 0.000 0.251 66 I C 1.980 177.723 176.117 -0.622 0.000 1.136 66 I CA 0.691 61.377 61.300 -1.023 0.000 1.425 66 I CB 0.172 37.623 38.000 -0.915 0.000 1.079 66 I HN -0.046 nan 8.210 nan 0.000 0.425 67 V N 0.349 119.925 119.914 -0.564 0.000 2.490 67 V HA -0.234 3.887 4.120 0.001 0.000 0.250 67 V C 2.428 178.302 176.094 -0.367 0.000 1.061 67 V CA 2.111 64.179 62.300 -0.387 0.000 1.064 67 V CB -0.355 31.289 31.823 -0.299 0.000 0.670 67 V HN 0.424 nan 8.190 nan 0.000 0.461 68 S N -0.881 114.560 115.700 -0.431 0.000 2.406 68 S HA 0.042 4.513 4.470 0.001 0.000 0.224 68 S C 1.758 176.221 174.600 -0.228 0.000 1.030 68 S CA 0.852 58.854 58.200 -0.329 0.000 0.958 68 S CB -0.295 62.708 63.200 -0.329 0.000 0.811 68 S HN 0.558 nan 8.310 nan 0.000 0.489 69 F N 1.089 120.725 119.950 -0.524 0.000 2.069 69 F HA -0.166 4.362 4.527 0.001 0.000 0.298 69 F C 2.113 177.688 175.800 -0.375 0.000 1.113 69 F CA 0.492 58.007 58.000 -0.809 0.000 1.214 69 F CB -0.281 38.145 39.000 -0.956 0.000 0.978 69 F HN 0.181 nan 8.300 nan 0.000 0.474 70 L N 0.418 121.592 121.223 -0.080 0.000 2.131 70 L HA -0.114 4.227 4.340 0.001 0.000 0.210 70 L C 2.663 179.393 176.870 -0.233 0.000 1.092 70 L CA 1.696 56.452 54.840 -0.140 0.000 0.759 70 L CB -1.562 40.391 42.059 -0.176 0.000 0.903 70 L HN 0.090 nan 8.230 nan 0.000 0.435 71 G N -2.034 106.633 108.800 -0.222 0.000 2.418 71 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 71 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 71 G C 1.729 176.546 174.900 -0.138 0.000 1.158 71 G CA 0.927 45.900 45.100 -0.212 0.000 0.771 71 G HN 0.415 nan 8.290 nan 0.000 0.545 72 S N 0.178 115.829 115.700 -0.081 0.000 2.348 72 S HA -0.164 4.306 4.470 0.001 0.000 0.221 72 S C 2.730 177.320 174.600 -0.017 0.000 1.033 72 S CA 1.811 60.010 58.200 -0.002 0.000 1.010 72 S CB -0.570 62.694 63.200 0.106 0.000 0.891 72 S HN 0.524 nan 8.310 nan 0.000 0.442 73 V N 0.694 120.530 119.914 -0.129 0.000 2.407 73 V HA -0.108 4.013 4.120 0.001 0.000 0.248 73 V C 1.761 177.778 176.094 -0.130 0.000 1.055 73 V CA 1.685 63.833 62.300 -0.253 0.000 1.049 73 V CB -0.787 30.649 31.823 -0.645 0.000 0.662 73 V HN 0.316 nan 8.190 nan 0.000 0.455 74 K N 0.998 121.292 120.400 -0.176 0.000 2.288 74 K HA 0.235 4.556 4.320 0.001 0.000 0.201 74 K C 2.207 178.869 176.600 0.103 0.000 1.048 74 K CA 1.174 57.392 56.287 -0.115 0.000 0.956 74 K CB -0.310 31.968 32.500 -0.371 0.000 0.746 74 K HN 0.606 nan 8.250 nan 0.000 0.461 75 A N 0.183 123.033 122.820 0.051 0.000 2.123 75 A HA 0.187 4.508 4.320 0.001 0.000 0.214 75 A C 1.368 179.064 177.584 0.187 0.000 1.152 75 A CA 0.929 53.033 52.037 0.110 0.000 0.728 75 A CB -0.039 19.003 19.000 0.070 0.000 0.814 75 A HN 0.365 nan 8.150 nan 0.000 0.464 76 G N -1.569 107.313 108.800 0.136 0.000 2.143 76 G HA2 -0.126 3.835 3.960 0.001 0.000 0.175 76 G HA3 -0.126 3.835 3.960 0.001 0.000 0.175 76 G C -0.314 174.494 174.900 -0.153 0.000 1.004 76 G CA 0.110 45.221 45.100 0.018 0.000 0.671 76 G HN 0.684 nan 8.290 nan 0.000 0.512 77 H N 0.646 119.689 119.070 -0.045 0.000 2.589 77 H HA 0.558 5.115 4.556 0.001 0.000 0.351 77 H C -2.335 172.945 175.328 -0.079 0.000 1.074 77 H CA -1.558 54.463 56.048 -0.045 0.000 1.203 77 H CB 2.510 32.261 29.762 -0.019 0.000 1.558 77 H HN 0.117 nan 8.280 nan 0.000 0.522 78 P HA 0.030 nan 4.420 nan 0.000 0.274 78 P C -1.064 176.228 177.300 -0.013 0.000 1.231 78 P CA -0.256 62.772 63.100 -0.119 0.000 0.790 78 P CB 0.961 32.596 31.700 -0.108 0.000 0.951 79 Y N 0.029 120.316 120.300 -0.022 0.000 2.487 79 Y HA 0.725 5.276 4.550 0.001 0.000 0.337 79 Y C -0.515 175.422 175.900 0.063 0.000 1.076 79 Y CA -1.752 56.360 58.100 0.020 0.000 1.115 79 Y CB 0.901 39.358 38.460 -0.004 0.000 1.235 79 Y HN 0.128 nan 8.280 nan 0.000 0.468 80 I N 5.243 126.011 120.570 0.329 0.000 2.390 80 I HA 0.322 4.493 4.170 0.001 0.000 0.283 80 I C -2.491 173.835 176.117 0.347 0.000 1.016 80 I CA -2.408 59.064 61.300 0.287 0.000 1.151 80 I CB 1.968 40.100 38.000 0.219 0.000 1.293 80 I HN 0.445 nan 8.210 nan 0.000 0.458 81 P HA 0.176 nan 4.420 nan 0.000 0.280 81 P C -0.855 176.607 177.300 0.270 0.000 1.244 81 P CA -0.164 63.148 63.100 0.354 0.000 0.784 81 P CB 1.737 33.583 31.700 0.244 0.000 0.913 82 V N 3.172 123.262 119.914 0.294 0.000 2.482 82 V HA 0.204 4.324 4.120 0.001 0.000 0.295 82 V C 0.162 176.394 176.094 0.231 0.000 1.026 82 V CA -0.553 61.903 62.300 0.259 0.000 0.856 82 V CB 1.412 33.435 31.823 0.332 0.000 1.001 82 V HN 0.497 nan 8.190 nan 0.000 0.424 83 D N 2.465 122.943 120.400 0.129 0.000 2.344 83 D HA 0.336 4.977 4.640 0.001 0.000 0.244 83 D C 1.152 177.470 176.300 0.031 0.000 1.134 83 D CA -0.272 53.773 54.000 0.075 0.000 0.930 83 D CB 1.269 42.122 40.800 0.088 0.000 1.175 83 D HN 0.446 nan 8.370 nan 0.000 0.437 84 L N 1.415 122.578 121.223 -0.099 0.000 2.362 84 L HA -0.075 4.265 4.340 0.001 0.000 0.219 84 L C 2.266 179.161 176.870 0.041 0.000 1.134 84 L CA 0.421 55.184 54.840 -0.128 0.000 0.807 84 L CB -0.498 41.443 42.059 -0.197 0.000 0.927 84 L HN 0.391 nan 8.230 nan 0.000 0.447 85 S N 0.145 115.880 115.700 0.059 0.000 2.419 85 S HA -0.043 4.428 4.470 0.001 0.000 0.233 85 S C 1.035 175.667 174.600 0.054 0.000 1.016 85 S CA 0.413 58.659 58.200 0.076 0.000 0.974 85 S CB -0.260 63.039 63.200 0.164 0.000 0.786 85 S HN 0.263 nan 8.310 nan 0.000 0.492 86 I N 4.115 124.736 120.570 0.084 0.000 2.363 86 I HA 0.237 4.407 4.170 0.001 0.000 0.292 86 I C -2.050 174.105 176.117 0.064 0.000 1.075 86 I CA -2.308 59.025 61.300 0.055 0.000 1.333 86 I CB 1.009 39.051 38.000 0.070 0.000 1.415 86 I HN 0.195 nan 8.210 nan 0.000 0.502 87 P HA 0.022 nan 4.420 nan 0.000 0.269 87 P C 0.796 178.082 177.300 -0.023 0.000 1.215 87 P CA -0.197 62.898 63.100 -0.008 0.000 0.780 87 P CB 0.950 32.626 31.700 -0.040 0.000 0.898 88 S N 2.139 117.822 115.700 -0.029 0.000 2.381 88 S HA -0.288 4.183 4.470 0.001 0.000 0.230 88 S C 1.475 176.048 174.600 -0.046 0.000 1.052 88 S CA 1.749 59.916 58.200 -0.056 0.000 1.068 88 S CB -1.220 61.952 63.200 -0.047 0.000 0.918 88 S HN 0.583 nan 8.310 nan 0.000 0.448 89 E N 1.019 121.206 120.200 -0.020 0.000 2.072 89 E HA -0.092 4.259 4.350 0.001 0.000 0.191 89 E C 2.435 179.039 176.600 0.007 0.000 0.985 89 E CA 0.850 57.252 56.400 0.004 0.000 0.801 89 E CB -0.228 29.493 29.700 0.035 0.000 0.750 89 E HN 0.582 nan 8.360 nan 0.000 0.452 90 R N 1.011 121.504 120.500 -0.012 0.000 2.081 90 R HA -0.109 4.232 4.340 0.001 0.000 0.235 90 R C 2.362 178.635 176.300 -0.045 0.000 1.131 90 R CA 1.018 57.110 56.100 -0.014 0.000 0.960 90 R CB -0.159 30.116 30.300 -0.040 0.000 0.856 90 R HN 0.135 nan 8.270 nan 0.000 0.436 91 I N 0.545 121.076 120.570 -0.064 0.000 2.226 91 I HA -0.263 3.908 4.170 0.001 0.000 0.245 91 I C 2.479 178.533 176.117 -0.104 0.000 1.100 91 I CA 1.286 62.523 61.300 -0.105 0.000 1.374 91 I CB -0.353 37.556 38.000 -0.151 0.000 1.057 91 I HN 0.289 nan 8.210 nan 0.000 0.413 92 A N 0.257 123.034 122.820 -0.071 0.000 1.972 92 A HA -0.191 4.130 4.320 0.001 0.000 0.219 92 A C 2.310 179.871 177.584 -0.039 0.000 1.169 92 A CA 1.430 53.436 52.037 -0.051 0.000 0.635 92 A CB -0.293 18.691 19.000 -0.026 0.000 0.810 92 A HN 0.174 nan 8.150 nan 0.000 0.446 93 K N -0.189 120.195 120.400 -0.027 0.000 2.103 93 K HA 0.048 4.369 4.320 0.001 0.000 0.204 93 K C 1.795 178.355 176.600 -0.067 0.000 1.052 93 K CA 1.074 57.356 56.287 -0.009 0.000 0.945 93 K CB -0.486 32.039 32.500 0.042 0.000 0.722 93 K HN 0.613 nan 8.250 nan 0.000 0.443 94 I N 0.743 121.209 120.570 -0.173 0.000 2.226 94 I HA -0.274 3.897 4.170 0.001 0.000 0.245 94 I C 2.262 178.234 176.117 -0.243 0.000 1.100 94 I CA 0.989 62.045 61.300 -0.406 0.000 1.374 94 I CB -0.241 37.411 38.000 -0.580 0.000 1.057 94 I HN 0.040 nan 8.210 nan 0.000 0.413 95 I N 0.594 121.077 120.570 -0.145 0.000 2.127 95 I HA -0.350 3.821 4.170 0.001 0.000 0.241 95 I C 2.675 178.772 176.117 -0.033 0.000 1.075 95 I CA 1.731 62.986 61.300 -0.076 0.000 1.334 95 I CB -0.480 37.483 38.000 -0.061 0.000 1.040 95 I HN 0.321 nan 8.210 nan 0.000 0.405 96 E N 0.957 121.143 120.200 -0.024 0.000 2.070 96 E HA -0.284 4.067 4.350 0.001 0.000 0.197 96 E C 2.138 178.755 176.600 0.028 0.000 1.004 96 E CA 2.258 58.661 56.400 0.005 0.000 0.805 96 E CB 0.016 29.723 29.700 0.011 0.000 0.744 96 E HN 0.561 nan 8.360 nan 0.000 0.451 97 S N -0.438 115.288 115.700 0.043 0.000 2.501 97 S HA -0.039 4.432 4.470 0.001 0.000 0.220 97 S C 2.021 176.695 174.600 0.123 0.000 0.997 97 S CA 0.704 58.957 58.200 0.089 0.000 0.919 97 S CB 0.199 63.478 63.200 0.132 0.000 0.778 97 S HN 0.311 nan 8.310 nan 0.000 0.523 98 S N 1.104 116.872 115.700 0.114 0.000 2.436 98 S HA 0.346 4.817 4.470 0.001 0.000 0.228 98 S C 1.841 176.498 174.600 0.094 0.000 1.014 98 S CA 0.715 59.006 58.200 0.152 0.000 0.950 98 S CB -0.970 62.306 63.200 0.127 0.000 0.784 98 S HN 1.470 nan 8.310 nan 0.000 0.504 99 G N 1.211 110.048 108.800 0.060 0.000 2.148 99 G HA2 -0.113 3.848 3.960 0.001 0.000 0.254 99 G HA3 -0.113 3.848 3.960 0.001 0.000 0.254 99 G C 0.267 175.196 174.900 0.048 0.000 0.981 99 G CA 0.086 45.215 45.100 0.048 0.000 0.670 99 G HN 1.359 nan 8.290 nan 0.000 0.528 100 A N -0.121 122.726 122.820 0.046 0.000 2.540 100 A HA 0.528 4.849 4.320 0.001 0.000 0.239 100 A C 0.962 178.561 177.584 0.025 0.000 1.061 100 A CA 1.135 53.198 52.037 0.044 0.000 0.758 100 A CB 0.169 19.190 19.000 0.035 0.000 0.991 100 A HN 0.549 nan 8.150 nan 0.000 0.502 101 E N 0.316 120.529 120.200 0.023 0.000 2.538 101 E HA 0.287 4.638 4.350 0.001 0.000 0.207 101 E C -0.952 175.638 176.600 -0.018 0.000 1.002 101 E CA -0.062 56.341 56.400 0.004 0.000 0.952 101 E CB 0.557 30.264 29.700 0.012 0.000 1.031 101 E HN 0.481 nan 8.360 nan 0.000 0.476 102 L N 0.759 121.970 121.223 -0.020 0.000 2.545 102 L HA 0.466 4.807 4.340 0.001 0.000 0.258 102 L C -2.231 174.631 176.870 -0.013 0.000 0.942 102 L CA -0.710 54.109 54.840 -0.034 0.000 0.855 102 L CB 2.147 44.160 42.059 -0.078 0.000 1.374 102 L HN -0.020 nan 8.230 nan 0.000 0.411 103 L N 5.342 126.562 121.223 -0.005 0.000 2.406 103 L HA 0.677 5.018 4.340 0.001 0.000 0.272 103 L C -1.475 175.412 176.870 0.030 0.000 0.980 103 L CA -0.404 54.452 54.840 0.027 0.000 0.831 103 L CB 1.584 43.658 42.059 0.024 0.000 1.253 103 L HN 0.652 nan 8.230 nan 0.000 0.406 104 I N 3.569 124.153 120.570 0.023 0.000 2.404 104 I HA 0.326 4.497 4.170 0.001 0.000 0.293 104 I C -0.916 175.221 176.117 0.034 0.000 0.992 104 I CA -0.715 60.542 61.300 -0.073 0.000 1.149 104 I CB 1.684 39.613 38.000 -0.119 0.000 1.315 104 I HN 0.647 nan 8.210 nan 0.000 0.446 105 H N 3.795 122.903 119.070 0.064 0.000 2.511 105 H HA 0.604 5.161 4.556 0.001 0.000 0.328 105 H C 0.491 175.842 175.328 0.038 0.000 1.044 105 H CA -0.902 55.219 56.048 0.121 0.000 1.212 105 H CB 1.399 31.292 29.762 0.219 0.000 1.428 105 H HN 0.646 nan 8.280 nan 0.000 0.483 106 A N 3.113 125.969 122.820 0.061 0.000 2.024 106 A HA 0.094 4.415 4.320 0.001 0.000 0.220 106 A C 1.444 179.098 177.584 0.117 0.000 1.164 106 A CA 1.166 53.225 52.037 0.037 0.000 0.643 106 A CB -0.647 18.338 19.000 -0.026 0.000 0.806 106 A HN 0.886 nan 8.150 nan 0.000 0.451 107 A N -0.930 121.977 122.820 0.144 0.000 2.269 107 A HA 0.597 4.918 4.320 0.001 0.000 0.319 107 A C 0.813 178.535 177.584 0.230 0.000 1.110 107 A CA -0.046 52.072 52.037 0.135 0.000 0.847 107 A CB -0.041 19.005 19.000 0.077 0.000 1.161 107 A HN 0.902 nan 8.150 nan 0.000 0.497 108 G N -0.373 108.514 108.800 0.146 0.000 2.432 108 G HA2 0.434 4.395 3.960 0.001 0.000 0.239 108 G HA3 0.434 4.395 3.960 0.001 0.000 0.239 108 G C -0.135 174.866 174.900 0.169 0.000 1.291 108 G CA -0.495 44.697 45.100 0.153 0.000 0.863 108 G HN 0.628 nan 8.290 nan 0.000 0.560 109 L N 1.580 122.931 121.223 0.213 0.000 2.908 109 L HA -0.088 4.253 4.340 0.001 0.000 0.288 109 L C 1.516 178.369 176.870 -0.028 0.000 1.067 109 L CA 0.604 55.475 54.840 0.052 0.000 1.021 109 L CB -0.904 41.203 42.059 0.079 0.000 1.453 109 L HN 0.481 nan 8.230 nan 0.000 0.448 110 S N 4.192 119.837 115.700 -0.091 0.000 2.563 110 S HA 0.151 4.622 4.470 0.001 0.000 0.294 110 S C 0.540 175.119 174.600 -0.035 0.000 1.279 110 S CA -0.647 57.529 58.200 -0.040 0.000 1.069 110 S CB -0.017 63.167 63.200 -0.027 0.000 0.828 110 S HN 0.369 nan 8.310 nan 0.000 0.497 111 I N 4.704 125.265 120.570 -0.015 0.000 2.668 111 I HA -0.004 4.167 4.170 0.001 0.000 0.285 111 I C 1.110 177.219 176.117 -0.015 0.000 1.168 111 I CA 0.452 61.745 61.300 -0.012 0.000 1.424 111 I CB 0.138 38.135 38.000 -0.005 0.000 1.377 111 I HN 0.795 nan 8.210 nan 0.000 0.560 112 D N 4.246 124.637 120.400 -0.016 0.000 3.012 112 D HA -0.184 4.456 4.640 0.001 0.000 0.222 112 D C 0.306 176.593 176.300 -0.022 0.000 1.167 112 D CA 0.987 54.978 54.000 -0.016 0.000 0.854 112 D CB -0.570 40.224 40.800 -0.010 0.000 1.107 112 D HN 0.689 nan 8.370 nan 0.000 0.421 113 A N -0.557 122.243 122.820 -0.033 0.000 2.536 113 A HA 0.349 4.669 4.320 0.001 0.000 0.234 113 A C 0.762 178.317 177.584 -0.048 0.000 1.076 113 A CA 0.367 52.379 52.037 -0.042 0.000 0.769 113 A CB 0.579 19.534 19.000 -0.076 0.000 1.020 113 A HN 0.430 nan 8.150 nan 0.000 0.508 114 V N 2.453 122.335 119.914 -0.053 0.000 2.397 114 V HA 0.345 4.466 4.120 0.001 0.000 0.262 114 V C 1.380 177.430 176.094 -0.075 0.000 1.047 114 V CA 0.035 62.302 62.300 -0.055 0.000 1.003 114 V CB -0.254 31.537 31.823 -0.053 0.000 1.037 114 V HN 1.092 nan 8.190 nan 0.000 0.480 115 G N 4.870 113.637 108.800 -0.056 0.000 2.414 115 G HA2 0.291 4.252 3.960 0.001 0.000 0.236 115 G HA3 0.291 4.252 3.960 0.001 0.000 0.236 115 G C -0.193 174.671 174.900 -0.060 0.000 1.293 115 G CA -0.195 44.872 45.100 -0.055 0.000 0.869 115 G HN 0.599 nan 8.290 nan 0.000 0.556 116 Q N 0.050 119.812 119.800 -0.064 0.000 2.378 116 Q HA 0.304 4.644 4.340 0.001 0.000 0.276 116 Q C -0.451 175.525 176.000 -0.041 0.000 1.083 116 Q CA -0.975 54.789 55.803 -0.063 0.000 0.856 116 Q CB 1.929 30.612 28.738 -0.091 0.000 1.383 116 Q HN 0.594 nan 8.270 nan 0.000 0.458 117 Q N 1.406 121.185 119.800 -0.035 0.000 3.150 117 Q HA 0.525 4.865 4.340 0.001 0.000 0.297 117 Q C -1.064 174.924 176.000 -0.021 0.000 1.382 117 Q CA 0.095 55.885 55.803 -0.022 0.000 1.059 117 Q CB -0.427 28.302 28.738 -0.016 0.000 1.559 117 Q HN 0.530 nan 8.270 nan 0.000 0.548 118 I N -0.614 119.943 120.570 -0.021 0.000 2.842 118 I HA 0.157 4.328 4.170 0.001 0.000 0.296 118 I C -1.451 174.659 176.117 -0.013 0.000 1.538 118 I CA -0.801 60.488 61.300 -0.017 0.000 0.994 118 I CB 1.747 39.734 38.000 -0.023 0.000 1.372 118 I HN 0.229 nan 8.210 nan 0.000 0.478 119 Q N 3.989 123.782 119.800 -0.011 0.000 2.255 119 Q HA 0.196 4.537 4.340 0.001 0.000 0.280 119 Q C -1.253 174.746 176.000 -0.003 0.000 1.068 119 Q CA 0.590 56.387 55.803 -0.010 0.000 0.911 119 Q CB 0.580 29.307 28.738 -0.020 0.000 1.157 119 Q HN 0.604 nan 8.270 nan 0.000 0.380 120 T N 3.368 117.931 114.554 0.016 0.000 2.856 120 T HA 0.658 5.009 4.350 0.001 0.000 0.283 120 T C -1.097 173.637 174.700 0.055 0.000 1.008 120 T CA -0.572 61.563 62.100 0.058 0.000 0.997 120 T CB 1.526 70.449 68.868 0.090 0.000 0.992 120 T HN 0.441 nan 8.240 nan 0.000 0.454 121 V N 1.908 121.822 119.914 0.000 0.000 3.048 121 V HA 0.581 4.701 4.120 0.001 0.000 0.303 121 V C -0.079 175.708 176.094 -0.513 0.000 1.214 121 V CA -1.227 60.996 62.300 -0.128 0.000 0.984 121 V CB 2.410 34.160 31.823 -0.122 0.000 1.054 121 V HN 1.032 nan 8.190 nan 0.000 0.430 122 S N 2.177 117.563 115.700 -0.522 0.000 2.632 122 S HA 0.647 5.117 4.470 0.001 0.000 0.271 122 S C 1.221 175.597 174.600 -0.373 0.000 1.260 122 S CA 0.187 57.977 58.200 -0.683 0.000 1.010 122 S CB 1.759 64.831 63.200 -0.212 0.000 0.965 122 S HN 1.471 nan 8.310 nan 0.000 0.534 123 A N 0.977 123.603 122.820 -0.324 0.000 1.933 123 A HA -0.071 4.250 4.320 0.001 0.000 0.218 123 A C 2.099 179.474 177.584 -0.349 0.000 1.175 123 A CA 1.602 53.412 52.037 -0.378 0.000 0.628 123 A CB -1.107 17.578 19.000 -0.526 0.000 0.814 123 A HN 1.019 nan 8.150 nan 0.000 0.444 124 E N 0.414 120.513 120.200 -0.169 0.000 2.023 124 E HA -0.267 4.083 4.350 0.001 0.000 0.196 124 E C 1.953 178.501 176.600 -0.088 0.000 1.003 124 E CA 1.592 57.954 56.400 -0.062 0.000 0.809 124 E CB -0.246 29.475 29.700 0.035 0.000 0.755 124 E HN 0.852 nan 8.360 nan 0.000 0.449 125 E N 0.386 120.535 120.200 -0.085 0.000 2.409 125 E HA -0.159 4.191 4.350 0.001 0.000 0.198 125 E C 2.199 178.741 176.600 -0.095 0.000 1.024 125 E CA 0.389 56.746 56.400 -0.072 0.000 0.861 125 E CB -0.153 29.515 29.700 -0.053 0.000 0.788 125 E HN 0.356 nan 8.360 nan 0.000 0.521 126 L N 0.480 121.619 121.223 -0.139 0.000 2.068 126 L HA -0.059 4.282 4.340 0.001 0.000 0.204 126 L C 2.444 179.235 176.870 -0.133 0.000 1.076 126 L CA 0.783 55.536 54.840 -0.145 0.000 0.753 126 L CB -0.133 41.810 42.059 -0.192 0.000 0.910 126 L HN 0.240 nan 8.230 nan 0.000 0.439 127 L N -0.577 120.555 121.223 -0.152 0.000 2.275 127 L HA -0.161 4.180 4.340 0.001 0.000 0.215 127 L C 1.942 178.765 176.870 -0.078 0.000 1.119 127 L CA 0.745 55.510 54.840 -0.126 0.000 0.790 127 L CB -0.418 41.554 42.059 -0.145 0.000 0.919 127 L HN 0.284 nan 8.230 nan 0.000 0.443 128 E N 0.853 121.015 120.200 -0.065 0.000 2.533 128 E HA -0.102 4.249 4.350 0.001 0.000 0.201 128 E C 0.533 177.109 176.600 -0.039 0.000 1.097 128 E CA -0.161 56.214 56.400 -0.042 0.000 0.887 128 E CB -0.395 29.285 29.700 -0.034 0.000 0.855 128 E HN 0.557 nan 8.360 nan 0.000 0.540 129 N N 1.908 120.579 118.700 -0.049 0.000 2.354 129 N HA -0.067 4.674 4.740 0.001 0.000 0.246 129 N C -0.227 175.263 175.510 -0.033 0.000 1.285 129 N CA -0.085 52.939 53.050 -0.042 0.000 0.925 129 N CB 0.801 39.256 38.487 -0.052 0.000 1.174 129 N HN -0.200 nan 8.380 nan 0.000 0.478 130 E N -0.725 119.460 120.200 -0.026 0.000 2.438 130 E HA 0.221 4.572 4.350 0.001 0.000 0.261 130 E C 0.736 177.325 176.600 -0.019 0.000 1.103 130 E CA 0.046 56.436 56.400 -0.018 0.000 0.959 130 E CB -0.027 29.666 29.700 -0.013 0.000 0.958 130 E HN 0.682 nan 8.360 nan 0.000 0.447 131 G N 1.446 110.239 108.800 -0.011 0.000 3.180 131 G HA2 0.193 4.153 3.960 0.001 0.000 0.246 131 G HA3 0.193 4.153 3.960 0.001 0.000 0.246 131 G C 0.528 175.426 174.900 -0.004 0.000 0.939 131 G CA 0.024 45.119 45.100 -0.008 0.000 1.920 131 G HN 0.503 nan 8.290 nan 0.000 0.612 132 G N -0.063 108.729 108.800 -0.012 0.000 2.553 132 G HA2 0.596 4.557 3.960 0.001 0.000 0.278 132 G HA3 0.596 4.557 3.960 0.001 0.000 0.278 132 G C 0.135 175.031 174.900 -0.007 0.000 1.349 132 G CA 0.414 45.510 45.100 -0.007 0.000 1.037 132 G HN 1.284 nan 8.290 nan 0.000 0.508 133 S N -2.994 112.707 115.700 0.002 0.000 2.643 133 S HA 0.539 5.010 4.470 0.001 0.000 0.266 133 S C -0.821 173.797 174.600 0.029 0.000 1.130 133 S CA -0.167 58.038 58.200 0.007 0.000 0.817 133 S CB 0.935 64.156 63.200 0.035 0.000 1.107 133 S HN 1.788 nan 8.310 nan 0.000 0.471 134 V N -0.223 119.724 119.914 0.056 0.000 2.994 134 V HA 0.966 5.086 4.120 0.001 0.000 0.318 134 V C 0.228 176.392 176.094 0.116 0.000 1.085 134 V CA -0.295 62.055 62.300 0.083 0.000 0.998 134 V CB 1.253 33.142 31.823 0.110 0.000 1.063 134 V HN 1.465 nan 8.190 nan 0.000 0.447 135 S N 0.970 116.698 115.700 0.046 0.000 2.585 135 S HA 0.279 4.750 4.470 0.001 0.000 0.277 135 S C 0.891 175.361 174.600 -0.217 0.000 1.241 135 S CA 0.133 58.315 58.200 -0.030 0.000 1.041 135 S CB 1.424 64.594 63.200 -0.050 0.000 0.987 135 S HN 1.009 nan 8.310 nan 0.000 0.512 136 Q N 1.046 120.585 119.800 -0.436 0.000 2.242 136 Q HA -0.277 4.064 4.340 0.001 0.000 0.211 136 Q C 1.172 176.617 176.000 -0.926 0.000 0.992 136 Q CA 2.354 57.451 55.803 -1.175 0.000 0.889 136 Q CB -0.464 27.771 28.738 -0.837 0.000 0.913 136 Q HN 0.944 nan 8.270 nan 0.000 0.422 137 D N -0.800 119.352 120.400 -0.414 0.000 2.378 137 D HA -0.174 4.467 4.640 0.001 0.000 0.222 137 D C 1.318 177.536 176.300 -0.136 0.000 0.980 137 D CA 0.665 54.527 54.000 -0.229 0.000 0.907 137 D CB -0.116 40.606 40.800 -0.131 0.000 0.899 137 D HN 0.333 nan 8.370 nan 0.000 0.527 138 Q N -0.398 119.327 119.800 -0.124 0.000 2.250 138 Q HA 0.010 4.351 4.340 0.001 0.000 0.200 138 Q C 0.400 176.502 176.000 0.169 0.000 0.941 138 Q CA 0.129 55.953 55.803 0.035 0.000 0.872 138 Q CB -0.175 28.614 28.738 0.086 0.000 0.965 138 Q HN 0.411 nan 8.270 nan 0.000 0.480 139 W N 1.644 122.936 121.300 -0.014 0.000 2.274 139 W HA 0.016 4.677 4.660 0.001 0.000 0.345 139 W C 0.696 177.198 176.519 -0.028 0.000 1.265 139 W CA -1.140 56.190 57.345 -0.025 0.000 1.293 139 W CB -0.331 29.124 29.460 -0.009 0.000 1.175 139 W HN -0.280 nan 8.180 nan 0.000 0.577 140 V N 4.054 124.072 119.914 0.175 0.000 2.763 140 V HA 0.086 4.207 4.120 0.001 0.000 0.306 140 V C 0.503 176.686 176.094 0.147 0.000 1.059 140 V CA 0.208 62.559 62.300 0.085 0.000 1.138 140 V CB 0.051 31.867 31.823 -0.011 0.000 0.940 140 V HN 0.572 nan 8.190 nan 0.000 0.489 141 K N 2.555 123.006 120.400 0.085 0.000 2.555 141 K HA 0.634 4.955 4.320 0.001 0.000 0.279 141 K C -0.118 176.470 176.600 -0.020 0.000 0.986 141 K CA -0.856 55.470 56.287 0.066 0.000 0.880 141 K CB 2.138 34.680 32.500 0.071 0.000 1.474 141 K HN 0.537 nan 8.250 nan 0.000 0.433 142 E N 0.114 120.264 120.200 -0.083 0.000 3.289 142 E HA -0.301 4.050 4.350 0.001 0.000 0.386 142 E C 0.467 176.859 176.600 -0.347 0.000 1.526 142 E CA 1.959 58.191 56.400 -0.279 0.000 1.519 142 E CB -1.122 28.425 29.700 -0.254 0.000 1.657 142 E HN 0.803 nan 8.360 nan 0.000 0.479 143 H N 1.840 120.889 119.070 -0.035 0.000 2.533 143 H HA 0.188 4.745 4.556 0.001 0.000 0.271 143 H C 0.057 175.341 175.328 -0.074 0.000 1.000 143 H CA 0.488 56.495 56.048 -0.067 0.000 1.149 143 H CB -0.197 29.510 29.762 -0.092 0.000 1.375 143 H HN 0.245 nan 8.280 nan 0.000 0.582 144 E N 1.346 121.549 120.200 0.005 0.000 2.383 144 E HA 0.079 4.430 4.350 0.001 0.000 0.264 144 E C 0.101 176.684 176.600 -0.027 0.000 1.050 144 E CA -0.110 56.280 56.400 -0.017 0.000 0.896 144 E CB 0.772 30.459 29.700 -0.022 0.000 0.982 144 E HN 0.055 nan 8.360 nan 0.000 0.424 145 T N 2.691 117.211 114.554 -0.056 0.000 2.902 145 T HA -0.022 4.329 4.350 0.001 0.000 0.301 145 T C 0.256 174.919 174.700 -0.063 0.000 1.012 145 T CA 0.090 62.142 62.100 -0.079 0.000 1.151 145 T CB 0.247 69.056 68.868 -0.098 0.000 0.946 145 T HN 0.402 nan 8.240 nan 0.000 0.542 146 F N 2.547 122.347 119.950 -0.249 0.000 2.298 146 F HA 0.257 4.784 4.527 0.001 0.000 0.282 146 F C 0.295 175.874 175.800 -0.368 0.000 1.045 146 F CA 0.287 58.137 58.000 -0.250 0.000 1.280 146 F CB 0.421 39.262 39.000 -0.264 0.000 1.114 146 F HN 0.708 nan 8.300 nan 0.000 0.546 147 Y N -0.274 119.920 120.300 -0.176 0.000 2.581 147 Y HA 0.694 5.244 4.550 0.001 0.000 0.345 147 Y C -1.563 174.180 175.900 -0.262 0.000 1.036 147 Y CA -2.795 54.970 58.100 -0.559 0.000 1.042 147 Y CB 0.646 38.644 38.460 -0.769 0.000 1.289 147 Y HN -0.070 nan 8.280 nan 0.000 0.471 148 I N 4.029 124.671 120.570 0.121 0.000 2.468 148 I HA 0.411 4.581 4.170 0.001 0.000 0.284 148 I C -1.057 175.226 176.117 0.276 0.000 1.038 148 I CA -0.520 60.872 61.300 0.153 0.000 1.083 148 I CB 1.658 39.731 38.000 0.122 0.000 1.223 148 I HN 0.559 nan 8.210 nan 0.000 0.443 149 I N 5.948 126.677 120.570 0.266 0.000 2.354 149 I HA 0.326 4.497 4.170 0.001 0.000 0.292 149 I C -0.877 175.335 176.117 0.158 0.000 0.989 149 I CA -0.749 60.699 61.300 0.248 0.000 1.188 149 I CB 1.322 39.448 38.000 0.210 0.000 1.342 149 I HN 0.367 nan 8.210 nan 0.000 0.457 150 Y N 4.202 124.563 120.300 0.101 0.000 2.308 150 Y HA 0.360 4.911 4.550 0.001 0.000 0.329 150 Y C 0.730 176.690 175.900 0.100 0.000 1.111 150 Y CA -0.071 58.083 58.100 0.091 0.000 1.179 150 Y CB 1.582 40.084 38.460 0.070 0.000 1.201 150 Y HN 0.440 nan 8.280 nan 0.000 0.483 151 T N 0.861 115.517 114.554 0.170 0.000 2.858 151 T HA 0.428 4.779 4.350 0.001 0.000 0.285 151 T C -0.262 174.528 174.700 0.150 0.000 1.052 151 T CA -0.699 61.508 62.100 0.178 0.000 1.009 151 T CB 0.905 69.864 68.868 0.151 0.000 1.241 151 T HN 0.554 nan 8.240 nan 0.000 0.542 152 S N 0.331 116.131 115.700 0.166 0.000 2.558 152 S HA 0.471 4.941 4.470 0.001 0.000 0.288 152 S C 0.287 174.930 174.600 0.071 0.000 1.318 152 S CA -0.023 58.264 58.200 0.144 0.000 1.056 152 S CB 0.091 63.394 63.200 0.172 0.000 0.853 152 S HN 0.859 nan 8.310 nan 0.000 0.505 153 G N 0.999 109.832 108.800 0.056 0.000 2.544 153 G HA2 0.410 4.371 3.960 0.001 0.000 0.313 153 G HA3 0.410 4.371 3.960 0.001 0.000 0.313 153 G C 0.765 175.667 174.900 0.004 0.000 1.316 153 G CA -0.366 44.726 45.100 -0.013 0.000 0.944 153 G HN 0.744 nan 8.290 nan 0.000 0.489 154 S N 0.887 116.595 115.700 0.013 0.000 2.440 154 S HA -0.187 4.283 4.470 0.001 0.000 0.238 154 S C 2.009 176.593 174.600 -0.027 0.000 1.010 154 S CA 1.796 60.019 58.200 0.038 0.000 0.972 154 S CB -0.431 62.816 63.200 0.078 0.000 0.774 154 S HN 0.849 nan 8.310 nan 0.000 0.501 155 T N -2.568 111.924 114.554 -0.103 0.000 3.194 155 T HA 0.486 4.837 4.350 0.001 0.000 0.251 155 T C 1.468 175.831 174.700 -0.563 0.000 1.132 155 T CA 0.438 62.401 62.100 -0.228 0.000 1.028 155 T CB -0.369 68.389 68.868 -0.183 0.000 0.976 155 T HN 1.211 nan 8.240 nan 0.000 0.535 156 G N 0.874 109.413 108.800 -0.435 0.000 2.141 156 G HA2 -0.222 3.738 3.960 0.001 0.000 0.231 156 G HA3 -0.222 3.738 3.960 0.001 0.000 0.231 156 G C -0.212 174.473 174.900 -0.360 0.000 0.984 156 G CA -0.147 44.560 45.100 -0.654 0.000 0.660 156 G HN 0.872 nan 8.290 nan 0.000 0.525 157 N N 0.441 119.044 118.700 -0.162 0.000 2.397 157 N HA 0.566 5.307 4.740 0.001 0.000 0.291 157 N C -2.691 172.856 175.510 0.062 0.000 1.065 157 N CA -1.561 51.488 53.050 -0.001 0.000 0.884 157 N CB 2.641 41.093 38.487 -0.059 0.000 1.551 157 N HN -0.007 nan 8.380 nan 0.000 0.487 158 P HA 0.038 nan 4.420 nan 0.000 0.264 158 P C -1.104 176.336 177.300 0.233 0.000 1.183 158 P CA 0.368 63.589 63.100 0.201 0.000 0.763 158 P CB 0.364 32.224 31.700 0.266 0.000 0.807 159 K N 1.410 121.841 120.400 0.051 0.000 2.156 159 K HA 0.698 5.019 4.320 0.001 0.000 0.254 159 K C 0.151 176.477 176.600 -0.456 0.000 0.950 159 K CA -1.044 55.140 56.287 -0.170 0.000 0.849 159 K CB 1.413 33.634 32.500 -0.466 0.000 1.100 159 K HN 0.399 nan 8.250 nan 0.000 0.434 160 G N 1.735 110.060 108.800 -0.793 0.000 2.384 160 G HA2 0.372 4.333 3.960 0.001 0.000 0.316 160 G HA3 0.372 4.333 3.960 0.001 0.000 0.316 160 G C -0.588 174.116 174.900 -0.327 0.000 1.160 160 G CA -0.737 43.625 45.100 -1.230 0.000 0.936 160 G HN 0.388 nan 8.290 nan 0.000 0.455 161 V N 3.229 123.063 119.914 -0.134 0.000 2.470 161 V HA 0.107 4.227 4.120 0.001 0.000 0.276 161 V C 0.314 176.358 176.094 -0.083 0.000 1.040 161 V CA -0.078 62.229 62.300 0.011 0.000 1.008 161 V CB 0.836 32.702 31.823 0.072 0.000 0.990 161 V HN 0.744 nan 8.190 nan 0.000 0.477 162 Q N 5.209 124.928 119.800 -0.134 0.000 2.360 162 Q HA 0.468 4.809 4.340 0.001 0.000 0.254 162 Q C -0.919 174.932 176.000 -0.248 0.000 0.975 162 Q CA -0.438 55.260 55.803 -0.175 0.000 0.912 162 Q CB 1.433 30.077 28.738 -0.157 0.000 1.212 162 Q HN 0.504 nan 8.270 nan 0.000 0.452 163 I N 2.847 123.170 120.570 -0.410 0.000 2.330 163 I HA 0.150 4.320 4.170 0.001 0.000 0.289 163 I C 0.674 176.547 176.117 -0.406 0.000 1.001 163 I CA -0.267 60.710 61.300 -0.539 0.000 1.193 163 I CB 0.909 38.215 38.000 -1.157 0.000 1.345 163 I HN 0.579 nan 8.210 nan 0.000 0.461 164 S N 4.756 120.319 115.700 -0.229 0.000 2.632 164 S HA 0.520 4.991 4.470 0.001 0.000 0.267 164 S C 1.353 175.876 174.600 -0.128 0.000 1.276 164 S CA -0.032 58.097 58.200 -0.118 0.000 0.998 164 S CB 1.678 64.852 63.200 -0.043 0.000 0.953 164 S HN 0.681 nan 8.310 nan 0.000 0.547 165 A N 2.204 125.000 122.820 -0.041 0.000 1.873 165 A HA 0.012 4.333 4.320 0.001 0.000 0.218 165 A C 2.487 179.987 177.584 -0.140 0.000 1.193 165 A CA 2.369 54.353 52.037 -0.088 0.000 0.629 165 A CB -1.885 17.143 19.000 0.048 0.000 0.826 165 A HN 1.515 nan 8.150 nan 0.000 0.447 166 A N -0.037 122.714 122.820 -0.115 0.000 1.903 166 A HA -0.320 4.001 4.320 0.001 0.000 0.219 166 A C 1.925 179.483 177.584 -0.043 0.000 1.191 166 A CA 2.136 54.116 52.037 -0.095 0.000 0.638 166 A CB -1.156 17.752 19.000 -0.154 0.000 0.823 166 A HN 0.764 nan 8.150 nan 0.000 0.451 167 N N -0.815 117.855 118.700 -0.050 0.000 2.018 167 N HA -0.204 4.537 4.740 0.001 0.000 0.196 167 N C 1.711 177.201 175.510 -0.034 0.000 1.043 167 N CA 1.518 54.541 53.050 -0.045 0.000 0.856 167 N CB -0.261 38.154 38.487 -0.119 0.000 1.042 167 N HN 0.408 nan 8.380 nan 0.000 0.423 168 L N 1.520 122.661 121.223 -0.135 0.000 2.046 168 L HA -0.170 4.171 4.340 0.001 0.000 0.208 168 L C 2.329 179.196 176.870 -0.004 0.000 1.077 168 L CA 1.670 56.446 54.840 -0.108 0.000 0.747 168 L CB -0.748 41.055 42.059 -0.427 0.000 0.896 168 L HN 0.125 nan 8.230 nan 0.000 0.432 169 Q N -0.824 118.929 119.800 -0.079 0.000 2.135 169 Q HA -0.210 4.130 4.340 0.001 0.000 0.204 169 Q C 2.507 178.540 176.000 0.056 0.000 0.981 169 Q CA 2.079 57.867 55.803 -0.024 0.000 0.856 169 Q CB -0.553 28.163 28.738 -0.036 0.000 0.902 169 Q HN 0.606 nan 8.270 nan 0.000 0.425 170 S N -1.152 114.596 115.700 0.079 0.000 2.368 170 S HA -0.122 4.348 4.470 0.001 0.000 0.224 170 S C 1.651 176.381 174.600 0.217 0.000 1.029 170 S CA 1.052 59.323 58.200 0.118 0.000 0.988 170 S CB -0.540 62.716 63.200 0.092 0.000 0.838 170 S HN 0.552 nan 8.310 nan 0.000 0.462 171 F N 2.340 122.356 119.950 0.111 0.000 2.084 171 F HA -0.039 4.488 4.527 0.001 0.000 0.296 171 F C 2.396 178.334 175.800 0.231 0.000 1.111 171 F CA 2.204 60.342 58.000 0.230 0.000 1.224 171 F CB -1.163 37.932 39.000 0.159 0.000 0.991 171 F HN 0.172 nan 8.300 nan 0.000 0.471 172 T N 0.266 114.862 114.554 0.070 0.000 2.720 172 T HA -0.197 4.154 4.350 0.001 0.000 0.268 172 T C 1.439 176.098 174.700 -0.067 0.000 1.037 172 T CA 1.717 63.770 62.100 -0.079 0.000 1.144 172 T CB -0.470 68.420 68.868 0.038 0.000 0.864 172 T HN 0.258 nan 8.240 nan 0.000 0.444 173 D N -0.161 120.261 120.400 0.036 0.000 2.144 173 D HA -0.073 4.568 4.640 0.001 0.000 0.199 173 D C 1.570 177.939 176.300 0.115 0.000 0.984 173 D CA 0.636 54.677 54.000 0.067 0.000 0.834 173 D CB -0.345 40.510 40.800 0.091 0.000 0.955 173 D HN 0.495 nan 8.370 nan 0.000 0.465 174 W N 1.762 123.021 121.300 -0.068 0.000 2.354 174 W HA -0.135 4.525 4.660 0.001 0.000 0.315 174 W C 1.866 178.389 176.519 0.007 0.000 1.206 174 W CA 0.899 58.232 57.345 -0.019 0.000 1.290 174 W CB -0.449 29.009 29.460 -0.004 0.000 1.152 174 W HN -0.181 nan 8.180 nan 0.000 0.489 175 I N 0.440 120.751 120.570 -0.431 0.000 2.113 175 I HA -0.341 3.830 4.170 0.001 0.000 0.238 175 I C 2.490 178.459 176.117 -0.246 0.000 1.070 175 I CA 1.754 62.643 61.300 -0.686 0.000 1.332 175 I CB -1.876 35.594 38.000 -0.883 0.000 1.044 175 I HN 0.041 nan 8.210 nan 0.000 0.402 176 C N 0.818 120.023 119.300 -0.158 0.000 2.403 176 C HA -0.131 4.330 4.460 0.001 0.000 0.282 176 C C 3.016 178.005 174.990 -0.003 0.000 1.297 176 C CA 1.077 60.068 59.018 -0.044 0.000 1.785 176 C CB -1.307 26.423 27.740 -0.017 0.000 1.963 176 C HN 0.636 nan 8.230 nan 0.000 0.507 177 A N 0.098 122.924 122.820 0.010 0.000 1.887 177 A HA 0.020 4.341 4.320 0.001 0.000 0.210 177 A C 1.510 179.090 177.584 -0.006 0.000 1.221 177 A CA 1.076 53.127 52.037 0.023 0.000 0.635 177 A CB -0.412 18.622 19.000 0.056 0.000 0.881 177 A HN 0.426 nan 8.150 nan 0.000 0.456 178 D N -0.950 119.437 120.400 -0.022 0.000 2.336 178 D HA 0.250 4.890 4.640 0.001 0.000 0.229 178 D C -0.836 175.141 176.300 -0.538 0.000 1.061 178 D CA 0.497 54.372 54.000 -0.207 0.000 0.875 178 D CB -0.033 40.649 40.800 -0.197 0.000 0.904 178 D HN 0.308 nan 8.370 nan 0.000 0.525 179 F N 0.000 119.737 119.950 -0.355 0.000 2.565 179 F HA 0.304 4.832 4.527 0.001 0.000 0.313 179 F C -1.858 173.774 175.800 -0.281 0.000 1.091 179 F CA -2.563 55.144 58.000 -0.489 0.000 0.915 179 F CB 1.840 40.418 39.000 -0.704 0.000 1.208 179 F HN -0.311 nan 8.300 nan 0.000 0.453 180 P HA -0.001 nan 4.420 nan 0.000 0.249 180 P C 0.549 177.821 177.300 -0.046 0.000 1.686 180 P CA 0.491 63.589 63.100 -0.003 0.000 0.873 180 P CB -0.231 31.509 31.700 0.065 0.000 1.828 181 V N -2.610 117.272 119.914 -0.053 0.000 3.661 181 V HA 0.106 4.227 4.120 0.001 0.000 0.271 181 V C 0.991 177.095 176.094 0.018 0.000 1.315 181 V CA 0.188 62.424 62.300 -0.107 0.000 1.072 181 V CB -0.633 31.152 31.823 -0.063 0.000 0.830 181 V HN 0.222 nan 8.190 nan 0.000 0.443 182 S N 0.619 116.340 115.700 0.035 0.000 2.608 182 S HA 0.603 5.074 4.470 0.001 0.000 0.261 182 S C 1.192 175.812 174.600 0.032 0.000 1.314 182 S CA 0.504 58.739 58.200 0.059 0.000 0.992 182 S CB 0.730 63.951 63.200 0.035 0.000 0.935 182 S HN 1.968 nan 8.310 nan 0.000 0.564 183 G N -0.694 108.128 108.800 0.037 0.000 2.154 183 G HA2 0.320 4.281 3.960 0.001 0.000 0.186 183 G HA3 0.320 4.281 3.960 0.001 0.000 0.186 183 G C 0.872 175.778 174.900 0.011 0.000 1.000 183 G CA 0.093 45.199 45.100 0.011 0.000 0.664 183 G HN 2.313 nan 8.290 nan 0.000 0.513 184 G N -0.200 108.631 108.800 0.052 0.000 2.324 184 G HA2 -0.197 3.763 3.960 0.001 0.000 0.292 184 G HA3 -0.197 3.763 3.960 0.001 0.000 0.292 184 G C 0.180 175.118 174.900 0.063 0.000 1.079 184 G CA 1.103 46.234 45.100 0.051 0.000 1.026 184 G HN 0.882 nan 8.290 nan 0.000 0.506 185 K N -0.837 119.631 120.400 0.113 0.000 2.109 185 K HA 0.633 4.954 4.320 0.001 0.000 0.243 185 K C 0.813 177.478 176.600 0.109 0.000 1.006 185 K CA -0.870 55.414 56.287 -0.005 0.000 0.917 185 K CB 1.234 33.591 32.500 -0.238 0.000 1.081 185 K HN 0.235 nan 8.250 nan 0.000 0.468 186 I N 2.585 123.148 120.570 -0.012 0.000 2.312 186 I HA 0.147 4.318 4.170 0.001 0.000 0.291 186 I C -0.705 175.430 176.117 0.030 0.000 1.031 186 I CA -0.301 61.038 61.300 0.065 0.000 1.293 186 I CB 0.131 38.120 38.000 -0.019 0.000 1.403 186 I HN 0.223 nan 8.210 nan 0.000 0.484 187 F N 6.410 126.315 119.950 -0.074 0.000 2.421 187 F HA 0.389 4.917 4.527 0.001 0.000 0.337 187 F C 0.105 175.828 175.800 -0.128 0.000 1.105 187 F CA -0.879 57.057 58.000 -0.107 0.000 1.049 187 F CB 1.338 40.279 39.000 -0.097 0.000 1.139 187 F HN 0.263 nan 8.300 nan 0.000 0.479 188 L N 3.312 124.516 121.223 -0.032 0.000 2.395 188 L HA 0.435 4.776 4.340 0.001 0.000 0.269 188 L C -0.621 176.134 176.870 -0.192 0.000 1.133 188 L CA -0.049 54.692 54.840 -0.166 0.000 0.812 188 L CB 0.881 42.698 42.059 -0.403 0.000 1.125 188 L HN 0.693 nan 8.230 nan 0.000 0.452 189 N N 2.367 120.934 118.700 -0.222 0.000 2.448 189 N HA 0.270 5.010 4.740 0.001 0.000 0.279 189 N C -0.166 175.114 175.510 -0.383 0.000 1.025 189 N CA -0.404 52.493 53.050 -0.254 0.000 0.898 189 N CB 1.105 39.498 38.487 -0.157 0.000 1.303 189 N HN 0.737 nan 8.380 nan 0.000 0.495 190 Q N 3.076 122.588 119.800 -0.479 0.000 2.511 190 Q HA 0.365 4.706 4.340 0.001 0.000 0.236 190 Q C -0.282 175.430 176.000 -0.481 0.000 0.893 190 Q CA 0.197 55.643 55.803 -0.596 0.000 0.947 190 Q CB 0.307 28.453 28.738 -0.986 0.000 1.110 190 Q HN 0.648 nan 8.270 nan 0.000 0.591 191 A N 3.302 125.887 122.820 -0.392 0.000 2.477 191 A HA 0.447 4.768 4.320 0.001 0.000 0.246 191 A C -2.304 175.114 177.584 -0.277 0.000 1.078 191 A CA -0.948 50.947 52.037 -0.236 0.000 0.770 191 A CB -0.151 18.762 19.000 -0.145 0.000 1.011 191 A HN 0.141 nan 8.150 nan 0.000 0.494 192 P HA 0.112 nan 4.420 nan 0.000 0.269 192 P C 0.128 177.299 177.300 -0.214 0.000 1.215 192 P CA 0.048 63.010 63.100 -0.230 0.000 0.780 192 P CB 0.178 31.937 31.700 0.098 0.000 0.898 193 F N -0.370 119.616 119.950 0.060 0.000 2.641 193 F HA -0.083 4.445 4.527 0.001 0.000 0.298 193 F C 2.349 178.168 175.800 0.031 0.000 1.146 193 F CA 0.838 58.894 58.000 0.093 0.000 1.464 193 F CB -0.379 38.790 39.000 0.281 0.000 1.101 193 F HN 0.258 nan 8.300 nan 0.000 0.585 194 S N -0.711 115.021 115.700 0.054 0.000 2.522 194 S HA 0.058 4.529 4.470 0.001 0.000 0.227 194 S C 0.362 174.820 174.600 -0.238 0.000 0.986 194 S CA 0.273 58.409 58.200 -0.107 0.000 0.929 194 S CB -0.277 62.771 63.200 -0.252 0.000 0.769 194 S HN 0.130 nan 8.310 nan 0.000 0.529 195 F N 1.645 121.654 119.950 0.098 0.000 2.469 195 F HA 0.293 4.821 4.527 0.001 0.000 0.332 195 F C 1.093 176.901 175.800 0.014 0.000 1.103 195 F CA -1.073 56.964 58.000 0.062 0.000 0.979 195 F CB 1.180 40.197 39.000 0.029 0.000 1.137 195 F HN 0.042 nan 8.300 nan 0.000 0.463 196 D N 2.716 123.225 120.400 0.181 0.000 2.350 196 D HA -0.168 4.473 4.640 0.001 0.000 0.216 196 D C 1.797 178.121 176.300 0.039 0.000 0.968 196 D CA 0.797 54.831 54.000 0.057 0.000 0.894 196 D CB -0.278 40.558 40.800 0.060 0.000 0.909 196 D HN 0.653 nan 8.370 nan 0.000 0.520 197 L N 1.083 122.348 121.223 0.069 0.000 2.127 197 L HA -0.231 4.110 4.340 0.001 0.000 0.211 197 L C 2.337 179.227 176.870 0.034 0.000 1.089 197 L CA 1.751 56.609 54.840 0.030 0.000 0.757 197 L CB -0.454 41.601 42.059 -0.006 0.000 0.899 197 L HN 0.148 nan 8.230 nan 0.000 0.434 198 S N -1.216 114.514 115.700 0.051 0.000 2.383 198 S HA -0.191 4.280 4.470 0.001 0.000 0.229 198 S C 1.805 176.465 174.600 0.101 0.000 1.030 198 S CA 1.414 59.648 58.200 0.056 0.000 1.002 198 S CB -1.142 62.126 63.200 0.113 0.000 0.829 198 S HN 0.307 nan 8.310 nan 0.000 0.467 199 V N 2.141 122.112 119.914 0.095 0.000 2.568 199 V HA -0.180 3.941 4.120 0.001 0.000 0.253 199 V C 2.554 178.800 176.094 0.254 0.000 1.072 199 V CA 2.118 64.505 62.300 0.146 0.000 1.084 199 V CB -0.946 30.941 31.823 0.106 0.000 0.676 199 V HN 0.631 nan 8.190 nan 0.000 0.469 200 M N 1.339 121.068 119.600 0.216 0.000 2.267 200 M HA -0.225 4.256 4.480 0.001 0.000 0.263 200 M C 1.668 178.059 176.300 0.151 0.000 1.063 200 M CA 2.575 58.073 55.300 0.330 0.000 1.090 200 M CB -0.196 32.525 32.600 0.203 0.000 1.392 200 M HN 0.687 nan 8.290 nan 0.000 0.422 201 D N -0.841 119.606 120.400 0.079 0.000 2.463 201 D HA -0.072 4.569 4.640 0.001 0.000 0.237 201 D C 1.747 177.951 176.300 -0.159 0.000 1.013 201 D CA 0.203 54.216 54.000 0.022 0.000 0.910 201 D CB -0.613 40.232 40.800 0.074 0.000 1.080 201 D HN 0.302 nan 8.370 nan 0.000 0.498 202 L N 0.066 121.229 121.223 -0.100 0.000 1.971 202 L HA -0.160 4.181 4.340 0.001 0.000 0.215 202 L C 1.862 178.496 176.870 -0.393 0.000 1.072 202 L CA 1.872 56.555 54.840 -0.262 0.000 0.758 202 L CB -0.979 40.872 42.059 -0.347 0.000 0.889 202 L HN 0.164 nan 8.230 nan 0.000 0.433 203 Y N -0.889 119.403 120.300 -0.012 0.000 2.314 203 Y HA 0.032 4.583 4.550 0.001 0.000 0.294 203 Y C -0.346 175.487 175.900 -0.110 0.000 1.119 203 Y CA 0.667 58.750 58.100 -0.028 0.000 1.179 203 Y CB -1.519 36.963 38.460 0.036 0.000 1.025 203 Y HN 0.272 nan 8.280 nan 0.000 0.541 204 P HA -0.178 nan 4.420 nan 0.000 0.218 204 P C 1.665 178.755 177.300 -0.349 0.000 1.149 204 P CA 1.369 64.383 63.100 -0.143 0.000 0.817 204 P CB -0.050 31.554 31.700 -0.159 0.000 0.785 205 C N -0.936 117.900 119.300 -0.772 0.000 2.462 205 C HA -0.095 4.365 4.460 0.001 0.000 0.278 205 C C 2.516 177.286 174.990 -0.366 0.000 1.253 205 C CA 0.727 59.054 59.018 -1.153 0.000 1.713 205 C CB -1.747 25.178 27.740 -1.357 0.000 2.049 205 C HN 0.075 nan 8.230 nan 0.000 0.477 206 L N 0.429 121.539 121.223 -0.189 0.000 2.083 206 L HA -0.185 4.156 4.340 0.001 0.000 0.209 206 L C 2.839 179.774 176.870 0.109 0.000 1.083 206 L CA 2.068 56.926 54.840 0.031 0.000 0.752 206 L CB -0.890 41.215 42.059 0.077 0.000 0.899 206 L HN 0.537 nan 8.230 nan 0.000 0.433 207 Q N -0.048 119.791 119.800 0.064 0.000 2.119 207 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 207 Q C 2.110 178.139 176.000 0.048 0.000 0.972 207 Q CA 1.803 57.650 55.803 0.074 0.000 0.847 207 Q CB 0.093 28.865 28.738 0.057 0.000 0.903 207 Q HN 0.527 nan 8.270 nan 0.000 0.433 208 S N -1.726 113.979 115.700 0.008 0.000 2.593 208 S HA 0.198 4.668 4.470 0.001 0.000 0.217 208 S C 1.197 175.797 174.600 0.001 0.000 0.966 208 S CA 0.400 58.618 58.200 0.029 0.000 0.914 208 S CB 0.442 63.684 63.200 0.071 0.000 0.776 208 S HN 0.615 nan 8.310 nan 0.000 0.523 209 G N 0.350 109.095 108.800 -0.093 0.000 2.148 209 G HA2 -0.143 3.818 3.960 0.001 0.000 0.254 209 G HA3 -0.143 3.818 3.960 0.001 0.000 0.254 209 G C 0.509 175.260 174.900 -0.248 0.000 0.981 209 G CA -0.027 44.787 45.100 -0.478 0.000 0.670 209 G HN 1.051 nan 8.290 nan 0.000 0.528 210 G N -1.215 107.588 108.800 0.005 0.000 2.553 210 G HA2 0.555 4.516 3.960 0.001 0.000 0.278 210 G HA3 0.555 4.516 3.960 0.001 0.000 0.278 210 G C -0.078 174.912 174.900 0.151 0.000 1.349 210 G CA 0.587 45.771 45.100 0.140 0.000 1.037 210 G HN 0.676 nan 8.290 nan 0.000 0.508 211 T N 0.398 115.058 114.554 0.177 0.000 2.809 211 T HA 0.367 4.718 4.350 0.001 0.000 0.284 211 T C -0.396 174.362 174.700 0.096 0.000 0.992 211 T CA -0.251 61.921 62.100 0.119 0.000 0.957 211 T CB 1.476 70.407 68.868 0.106 0.000 0.942 211 T HN 0.344 nan 8.240 nan 0.000 0.439 212 L N 3.991 125.212 121.223 -0.004 0.000 2.349 212 L HA 0.373 4.713 4.340 0.001 0.000 0.275 212 L C -0.096 176.679 176.870 -0.158 0.000 1.115 212 L CA -0.052 54.755 54.840 -0.055 0.000 0.820 212 L CB 0.353 42.362 42.059 -0.083 0.000 1.135 212 L HN 0.631 nan 8.230 nan 0.000 0.445 213 H N 5.072 124.017 119.070 -0.208 0.000 2.860 213 H HA 0.325 4.882 4.556 0.001 0.000 0.312 213 H C -1.157 174.000 175.328 -0.285 0.000 0.995 213 H CA -0.718 55.178 56.048 -0.255 0.000 1.311 213 H CB 0.862 30.535 29.762 -0.149 0.000 1.478 213 H HN 0.719 nan 8.280 nan 0.000 0.508 214 C N 4.318 123.330 119.300 -0.480 0.000 2.539 214 C HA 0.405 4.866 4.460 0.001 0.000 0.392 214 C C 0.550 175.415 174.990 -0.209 0.000 1.269 214 C CA -0.824 57.994 59.018 -0.334 0.000 2.250 214 C CB 0.427 27.939 27.740 -0.380 0.000 2.584 214 C HN 0.614 nan 8.230 nan 0.000 0.589 215 V N 0.916 120.734 119.914 -0.160 0.000 2.357 215 V HA 0.566 4.686 4.120 0.001 0.000 0.281 215 V C 0.175 176.223 176.094 -0.078 0.000 1.015 215 V CA -0.253 62.008 62.300 -0.065 0.000 0.827 215 V CB 0.297 32.098 31.823 -0.037 0.000 1.018 215 V HN 1.011 nan 8.190 nan 0.000 0.432 216 T N 1.549 116.102 114.554 -0.001 0.000 2.726 216 T HA 0.279 4.630 4.350 0.001 0.000 0.294 216 T C 1.210 176.029 174.700 0.198 0.000 1.013 216 T CA 0.222 62.405 62.100 0.139 0.000 0.996 216 T CB 0.969 69.958 68.868 0.202 0.000 1.016 216 T HN 0.964 nan 8.240 nan 0.000 0.529 217 K N 0.373 120.964 120.400 0.318 0.000 2.211 217 K HA -0.182 4.139 4.320 0.001 0.000 0.204 217 K C 1.206 177.854 176.600 0.079 0.000 1.047 217 K CA 1.649 58.015 56.287 0.132 0.000 0.935 217 K CB -0.346 32.133 32.500 -0.035 0.000 0.728 217 K HN 0.530 nan 8.250 nan 0.000 0.452 218 D N 1.814 122.249 120.400 0.058 0.000 2.078 218 D HA -0.139 4.502 4.640 0.001 0.000 0.193 218 D C 2.110 178.458 176.300 0.081 0.000 0.990 218 D CA 1.904 55.934 54.000 0.050 0.000 0.827 218 D CB -0.304 40.519 40.800 0.038 0.000 0.975 218 D HN 0.416 nan 8.370 nan 0.000 0.451 219 A N 0.790 123.669 122.820 0.099 0.000 2.019 219 A HA -0.097 4.224 4.320 0.001 0.000 0.219 219 A C 2.494 180.182 177.584 0.172 0.000 1.164 219 A CA 0.851 52.965 52.037 0.128 0.000 0.644 219 A CB -0.531 18.546 19.000 0.130 0.000 0.805 219 A HN 0.142 nan 8.150 nan 0.000 0.449 220 V N 0.805 120.827 119.914 0.180 0.000 2.515 220 V HA -0.201 3.919 4.120 0.001 0.000 0.250 220 V C 2.055 178.267 176.094 0.197 0.000 1.058 220 V CA 1.912 64.359 62.300 0.245 0.000 1.064 220 V CB -0.733 31.245 31.823 0.258 0.000 0.675 220 V HN 0.590 nan 8.190 nan 0.000 0.461 221 N N 0.092 118.875 118.700 0.138 0.000 2.376 221 N HA 0.001 4.742 4.740 0.001 0.000 0.177 221 N C 0.746 176.305 175.510 0.081 0.000 1.024 221 N CA 0.524 53.634 53.050 0.100 0.000 0.893 221 N CB 0.154 38.685 38.487 0.074 0.000 0.980 221 N HN 0.461 nan 8.380 nan 0.000 0.439 222 K N 1.328 121.782 120.400 0.090 0.000 2.290 222 K HA 0.231 4.551 4.320 0.001 0.000 0.250 222 K C -1.849 174.809 176.600 0.097 0.000 1.092 222 K CA -1.717 54.613 56.287 0.071 0.000 1.006 222 K CB 1.838 34.374 32.500 0.061 0.000 1.549 222 K HN -0.134 nan 8.250 nan 0.000 0.436 223 P HA -0.370 nan 4.420 nan 0.000 0.219 223 P C 0.996 178.331 177.300 0.058 0.000 1.158 223 P CA 1.618 64.756 63.100 0.064 0.000 0.895 223 P CB 0.213 31.851 31.700 -0.103 0.000 0.792 224 K N -0.479 119.913 120.400 -0.012 0.000 2.009 224 K HA -0.108 4.213 4.320 0.001 0.000 0.210 224 K C 1.971 178.649 176.600 0.130 0.000 1.049 224 K CA 1.722 58.018 56.287 0.015 0.000 0.929 224 K CB -1.982 30.518 32.500 -0.000 0.000 0.714 224 K HN 0.108 nan 8.250 nan 0.000 0.440 225 V N 2.203 122.191 119.914 0.124 0.000 2.332 225 V HA -0.233 3.887 4.120 0.001 0.000 0.248 225 V C 2.609 178.825 176.094 0.204 0.000 1.055 225 V CA 1.679 64.063 62.300 0.139 0.000 1.038 225 V CB -0.759 31.129 31.823 0.109 0.000 0.651 225 V HN 0.195 nan 8.190 nan 0.000 0.450 226 L N -0.154 121.230 121.223 0.268 0.000 1.970 226 L HA -0.132 4.209 4.340 0.001 0.000 0.212 226 L C 2.231 179.331 176.870 0.383 0.000 1.071 226 L CA 2.145 57.184 54.840 0.331 0.000 0.751 226 L CB -0.977 41.325 42.059 0.406 0.000 0.889 226 L HN 0.240 nan 8.230 nan 0.000 0.432 227 F N 0.481 120.537 119.950 0.176 0.000 2.202 227 F HA -0.194 4.334 4.527 0.001 0.000 0.301 227 F C 2.639 178.530 175.800 0.152 0.000 1.082 227 F CA 1.639 59.757 58.000 0.196 0.000 1.313 227 F CB -0.754 38.349 39.000 0.170 0.000 1.024 227 F HN 0.370 nan 8.300 nan 0.000 0.495 228 E N 0.072 120.455 120.200 0.305 0.000 2.028 228 E HA -0.189 4.162 4.350 0.001 0.000 0.191 228 E C 2.220 178.914 176.600 0.157 0.000 0.988 228 E CA 1.044 57.559 56.400 0.193 0.000 0.799 228 E CB -0.001 29.788 29.700 0.149 0.000 0.755 228 E HN 0.193 nan 8.360 nan 0.000 0.447 229 E N 0.637 120.936 120.200 0.165 0.000 2.085 229 E HA -0.188 4.162 4.350 0.001 0.000 0.194 229 E C 2.293 178.955 176.600 0.103 0.000 0.994 229 E CA 0.838 57.332 56.400 0.157 0.000 0.801 229 E CB -0.192 29.618 29.700 0.183 0.000 0.743 229 E HN 0.377 nan 8.360 nan 0.000 0.453 230 L N 0.491 121.781 121.223 0.112 0.000 2.093 230 L HA -0.182 4.159 4.340 0.001 0.000 0.208 230 L C 2.548 179.440 176.870 0.037 0.000 1.085 230 L CA 1.111 55.988 54.840 0.061 0.000 0.755 230 L CB -0.445 41.704 42.059 0.150 0.000 0.904 230 L HN 0.046 nan 8.230 nan 0.000 0.435 231 K N 1.516 121.968 120.400 0.086 0.000 2.063 231 K HA -0.211 4.110 4.320 0.001 0.000 0.208 231 K C 2.058 178.688 176.600 0.050 0.000 1.048 231 K CA 1.772 58.107 56.287 0.079 0.000 0.928 231 K CB -0.092 32.475 32.500 0.111 0.000 0.713 231 K HN 0.401 nan 8.250 nan 0.000 0.442 232 K N -0.262 120.164 120.400 0.044 0.000 2.186 232 K HA -0.023 4.298 4.320 0.001 0.000 0.202 232 K C 2.016 178.602 176.600 -0.024 0.000 1.052 232 K CA 1.251 57.559 56.287 0.035 0.000 0.965 232 K CB -0.350 32.190 32.500 0.068 0.000 0.746 232 K HN 0.182 nan 8.250 nan 0.000 0.457 233 S N 1.267 116.873 115.700 -0.157 0.000 2.380 233 S HA -0.147 4.324 4.470 0.001 0.000 0.229 233 S C 1.797 176.256 174.600 -0.236 0.000 1.043 233 S CA 1.444 59.353 58.200 -0.484 0.000 1.038 233 S CB -1.338 61.263 63.200 -0.999 0.000 0.872 233 S HN 0.731 nan 8.310 nan 0.000 0.456 234 G N 0.895 109.632 108.800 -0.105 0.000 2.179 234 G HA2 -0.238 3.722 3.960 0.001 0.000 0.257 234 G HA3 -0.238 3.722 3.960 0.001 0.000 0.257 234 G C 0.015 174.880 174.900 -0.058 0.000 1.010 234 G CA 0.264 45.351 45.100 -0.021 0.000 0.736 234 G HN 1.339 nan 8.290 nan 0.000 0.513 235 L N -2.269 118.891 121.223 -0.105 0.000 2.516 235 L HA 0.508 4.849 4.340 0.001 0.000 0.288 235 L C 0.835 177.651 176.870 -0.090 0.000 1.246 235 L CA 1.174 55.945 54.840 -0.114 0.000 0.844 235 L CB 0.074 42.054 42.059 -0.131 0.000 1.106 235 L HN 0.067 nan 8.230 nan 0.000 0.509 236 N N 0.489 119.092 118.700 -0.162 0.000 2.516 236 N HA 0.228 4.969 4.740 0.001 0.000 0.197 236 N C -0.711 174.618 175.510 -0.303 0.000 1.064 236 N CA 0.084 53.020 53.050 -0.190 0.000 0.866 236 N CB 0.668 39.033 38.487 -0.203 0.000 1.255 236 N HN 0.436 nan 8.380 nan 0.000 0.447 237 V N 1.197 120.870 119.914 -0.401 0.000 2.417 237 V HA 0.269 4.389 4.120 0.001 0.000 0.291 237 V C -1.215 174.708 176.094 -0.285 0.000 1.024 237 V CA -0.828 61.206 62.300 -0.443 0.000 0.861 237 V CB 1.757 33.111 31.823 -0.782 0.000 0.985 237 V HN 0.290 nan 8.190 nan 0.000 0.436 238 W N 4.904 125.891 121.300 -0.522 0.000 2.294 238 W HA 0.551 5.212 4.660 0.001 0.000 0.314 238 W C -0.906 175.431 176.519 -0.304 0.000 1.044 238 W CA -0.436 56.665 57.345 -0.407 0.000 1.284 238 W CB 1.601 30.689 29.460 -0.621 0.000 1.231 238 W HN 0.510 nan 8.180 nan 0.000 0.419 239 T N 4.941 119.319 114.554 -0.292 0.000 2.815 239 T HA 0.474 4.825 4.350 0.001 0.000 0.289 239 T C -0.236 174.343 174.700 -0.202 0.000 1.000 239 T CA -0.218 61.781 62.100 -0.168 0.000 0.958 239 T CB 1.409 70.217 68.868 -0.100 0.000 0.944 239 T HN 0.406 nan 8.240 nan 0.000 0.442 240 S N 1.548 117.289 115.700 0.069 0.000 2.655 240 S HA 0.686 5.157 4.470 0.001 0.000 0.266 240 S C -0.270 174.554 174.600 0.374 0.000 1.149 240 S CA -1.025 57.257 58.200 0.137 0.000 0.818 240 S CB 0.854 64.193 63.200 0.232 0.000 1.130 240 S HN 0.726 nan 8.310 nan 0.000 0.476 241 T N -0.999 113.691 114.554 0.227 0.000 2.899 241 T HA 0.500 4.851 4.350 0.001 0.000 0.295 241 T C -2.078 172.774 174.700 0.253 0.000 1.033 241 T CA -1.223 60.982 62.100 0.174 0.000 1.084 241 T CB 0.355 69.199 68.868 -0.040 0.000 0.979 241 T HN 0.335 nan 8.240 nan 0.000 0.532 242 P HA -0.059 nan 4.420 nan 0.000 0.218 242 P C 1.845 179.097 177.300 -0.079 0.000 1.148 242 P CA 0.864 63.857 63.100 -0.178 0.000 0.822 242 P CB -0.046 31.518 31.700 -0.228 0.000 0.784 243 S N -1.303 114.386 115.700 -0.018 0.000 2.353 243 S HA -0.200 4.270 4.470 0.001 0.000 0.222 243 S C 1.622 176.229 174.600 0.012 0.000 1.035 243 S CA 1.239 59.428 58.200 -0.018 0.000 1.025 243 S CB -1.207 61.987 63.200 -0.011 0.000 0.902 243 S HN 0.138 nan 8.310 nan 0.000 0.440 244 F N 1.547 121.486 119.950 -0.017 0.000 2.095 244 F HA -0.137 4.391 4.527 0.001 0.000 0.298 244 F C 2.329 178.181 175.800 0.086 0.000 1.104 244 F CA 1.387 59.414 58.000 0.045 0.000 1.232 244 F CB -0.531 38.522 39.000 0.088 0.000 0.987 244 F HN 0.034 nan 8.300 nan 0.000 0.475 245 V N 0.409 120.444 119.914 0.202 0.000 2.515 245 V HA -0.305 3.815 4.120 0.001 0.000 0.250 245 V C 2.309 178.215 176.094 -0.314 0.000 1.058 245 V CA 2.355 64.639 62.300 -0.028 0.000 1.064 245 V CB -0.454 31.450 31.823 0.135 0.000 0.675 245 V HN 0.625 nan 8.190 nan 0.000 0.461 246 Q N -0.650 119.014 119.800 -0.226 0.000 2.084 246 Q HA -0.277 4.063 4.340 0.001 0.000 0.202 246 Q C 2.249 178.104 176.000 -0.241 0.000 0.978 246 Q CA 2.598 58.272 55.803 -0.215 0.000 0.844 246 Q CB -0.258 28.388 28.738 -0.155 0.000 0.898 246 Q HN 0.732 nan 8.270 nan 0.000 0.426 247 M N -0.505 118.925 119.600 -0.283 0.000 2.117 247 M HA -0.194 4.287 4.480 0.001 0.000 0.262 247 M C 2.046 178.151 176.300 -0.325 0.000 1.065 247 M CA 1.645 56.778 55.300 -0.278 0.000 1.114 247 M CB -0.145 32.274 32.600 -0.302 0.000 1.361 247 M HN 0.405 nan 8.290 nan 0.000 0.408 248 C N 0.473 119.435 119.300 -0.565 0.000 2.429 248 C HA -0.113 4.348 4.460 0.001 0.000 0.277 248 C C 2.552 177.215 174.990 -0.545 0.000 1.262 248 C CA 0.748 59.338 59.018 -0.715 0.000 1.733 248 C CB -1.239 25.565 27.740 -1.560 0.000 2.010 248 C HN 0.634 nan 8.230 nan 0.000 0.483 249 L N 0.220 121.143 121.223 -0.500 0.000 2.263 249 L HA -0.235 4.106 4.340 0.001 0.000 0.216 249 L C 2.536 179.401 176.870 -0.009 0.000 1.111 249 L CA 1.334 56.109 54.840 -0.108 0.000 0.773 249 L CB -0.466 41.544 42.059 -0.082 0.000 0.906 249 L HN 0.465 nan 8.230 nan 0.000 0.439 250 M N -1.184 118.382 119.600 -0.056 0.000 2.358 250 M HA -0.130 4.351 4.480 0.001 0.000 0.264 250 M C 0.646 176.958 176.300 0.020 0.000 1.064 250 M CA 0.966 56.252 55.300 -0.023 0.000 1.093 250 M CB -0.349 32.221 32.600 -0.049 0.000 1.401 250 M HN 0.134 nan 8.290 nan 0.000 0.440 251 D N 0.625 121.076 120.400 0.086 0.000 2.313 251 D HA 0.128 4.769 4.640 0.001 0.000 0.239 251 D C -2.025 174.393 176.300 0.197 0.000 1.142 251 D CA -1.785 52.283 54.000 0.114 0.000 0.847 251 D CB 1.638 42.523 40.800 0.141 0.000 1.082 251 D HN -0.062 nan 8.370 nan 0.000 0.480 252 P HA -0.040 nan 4.420 nan 0.000 0.221 252 P C 1.192 178.564 177.300 0.121 0.000 1.145 252 P CA 0.683 63.836 63.100 0.089 0.000 0.795 252 P CB 0.264 31.984 31.700 0.033 0.000 0.775 253 G N -1.520 107.389 108.800 0.182 0.000 2.650 253 G HA2 -0.151 3.810 3.960 0.001 0.000 0.214 253 G HA3 -0.151 3.810 3.960 0.001 0.000 0.214 253 G C 0.110 175.213 174.900 0.338 0.000 1.136 253 G CA -0.330 44.901 45.100 0.218 0.000 0.789 253 G HN 0.263 nan 8.290 nan 0.000 0.536 254 F N 3.408 123.539 119.950 0.302 0.000 2.468 254 F HA 0.436 4.964 4.527 0.001 0.000 0.356 254 F C 0.562 176.378 175.800 0.027 0.000 1.167 254 F CA -0.194 57.923 58.000 0.195 0.000 1.135 254 F CB 0.312 39.418 39.000 0.177 0.000 1.197 254 F HN 0.143 nan 8.300 nan 0.000 0.569 255 S N 2.890 118.299 115.700 -0.485 0.000 2.683 255 S HA 0.148 4.619 4.470 0.001 0.000 0.269 255 S C 0.221 174.212 174.600 -1.015 0.000 1.165 255 S CA -0.831 56.730 58.200 -1.065 0.000 0.840 255 S CB 1.285 64.140 63.200 -0.576 0.000 1.169 255 S HN 0.449 nan 8.310 nan 0.000 0.490 256 Q N 0.663 119.802 119.800 -1.102 0.000 2.308 256 Q HA -0.097 4.243 4.340 0.001 0.000 0.209 256 Q C 0.798 176.649 176.000 -0.247 0.000 0.985 256 Q CA 2.539 58.061 55.803 -0.468 0.000 0.881 256 Q CB -0.702 27.842 28.738 -0.322 0.000 0.917 256 Q HN 0.751 nan 8.270 nan 0.000 0.443 257 D N -1.199 119.052 120.400 -0.247 0.000 2.277 257 D HA -0.069 4.572 4.640 0.001 0.000 0.208 257 D C 1.311 177.561 176.300 -0.083 0.000 0.962 257 D CA 0.469 54.386 54.000 -0.138 0.000 0.865 257 D CB 0.049 40.781 40.800 -0.113 0.000 0.939 257 D HN 0.230 nan 8.370 nan 0.000 0.510 258 L N -0.310 120.860 121.223 -0.088 0.000 2.162 258 L HA 0.180 4.521 4.340 0.001 0.000 0.205 258 L C 0.243 177.112 176.870 -0.001 0.000 1.086 258 L CA 1.222 56.059 54.840 -0.006 0.000 0.778 258 L CB 0.240 42.309 42.059 0.018 0.000 0.928 258 L HN -0.051 nan 8.230 nan 0.000 0.446 259 L N 1.551 122.763 121.223 -0.018 0.000 2.556 259 L HA 0.319 4.660 4.340 0.001 0.000 0.243 259 L C -1.556 175.307 176.870 -0.011 0.000 1.331 259 L CA -1.108 53.750 54.840 0.030 0.000 0.927 259 L CB 0.610 42.723 42.059 0.090 0.000 1.219 259 L HN -0.015 nan 8.230 nan 0.000 0.490 260 P HA -0.194 nan 4.420 nan 0.000 0.218 260 P C 0.754 177.845 177.300 -0.348 0.000 1.146 260 P CA 1.602 64.545 63.100 -0.261 0.000 0.813 260 P CB 0.187 31.661 31.700 -0.376 0.000 0.778 261 H N -0.839 118.221 119.070 -0.017 0.000 2.551 261 H HA 0.416 4.972 4.556 0.001 0.000 0.271 261 H C 0.909 176.202 175.328 -0.058 0.000 0.984 261 H CA -0.087 55.940 56.048 -0.035 0.000 1.164 261 H CB -0.183 29.551 29.762 -0.046 0.000 1.437 261 H HN 0.115 nan 8.280 nan 0.000 0.550 262 A N 1.612 124.444 122.820 0.021 0.000 2.522 262 A HA 0.100 4.421 4.320 0.001 0.000 0.256 262 A C 0.306 177.844 177.584 -0.077 0.000 1.086 262 A CA 0.391 52.372 52.037 -0.093 0.000 0.763 262 A CB -0.083 18.831 19.000 -0.142 0.000 1.024 262 A HN 0.628 nan 8.150 nan 0.000 0.502 263 D N -0.169 120.148 120.400 -0.139 0.000 2.516 263 D HA 0.158 4.798 4.640 0.001 0.000 0.241 263 D C -0.213 176.056 176.300 -0.051 0.000 1.246 263 D CA 0.311 54.279 54.000 -0.053 0.000 0.808 263 D CB 0.297 41.085 40.800 -0.021 0.000 1.147 263 D HN 0.262 nan 8.370 nan 0.000 0.527 264 T N 0.345 114.784 114.554 -0.191 0.000 3.143 264 T HA 0.398 4.749 4.350 0.001 0.000 0.312 264 T C -1.382 173.171 174.700 -0.245 0.000 0.986 264 T CA -0.466 61.587 62.100 -0.078 0.000 1.024 264 T CB 0.782 69.618 68.868 -0.053 0.000 1.030 264 T HN -0.080 nan 8.240 nan 0.000 0.448 265 F N 3.340 123.262 119.950 -0.046 0.000 2.420 265 F HA 0.618 5.146 4.527 0.001 0.000 0.342 265 F C 0.502 176.110 175.800 -0.321 0.000 1.113 265 F CA -1.003 56.841 58.000 -0.259 0.000 1.059 265 F CB 1.384 40.181 39.000 -0.339 0.000 1.128 265 F HN 0.162 nan 8.300 nan 0.000 0.475 266 M N 5.552 124.949 119.600 -0.338 0.000 2.078 266 M HA 0.386 4.867 4.480 0.001 0.000 0.320 266 M C -1.313 174.775 176.300 -0.354 0.000 0.969 266 M CA -0.392 54.770 55.300 -0.229 0.000 0.929 266 M CB 1.090 33.586 32.600 -0.174 0.000 1.504 266 M HN 0.423 nan 8.290 nan 0.000 0.419 267 F N 2.263 122.360 119.950 0.244 0.000 2.522 267 F HA 0.765 5.293 4.527 0.002 0.000 0.324 267 F C 0.449 176.344 175.800 0.157 0.000 1.077 267 F CA -0.584 57.533 58.000 0.196 0.000 0.944 267 F CB 2.029 41.138 39.000 0.182 0.000 1.175 267 F HN 0.790 nan 8.300 nan 0.000 0.468 268 C N -0.636 118.857 119.300 0.321 0.000 3.211 268 C HA 0.752 5.212 4.460 0.001 0.000 0.350 268 C C 0.672 175.739 174.990 0.127 0.000 1.413 268 C CA -0.408 58.735 59.018 0.208 0.000 1.203 268 C CB 1.233 29.075 27.740 0.170 0.000 1.506 268 C HN 1.668 nan 8.230 nan 0.000 0.448 269 G N 0.573 109.416 108.800 0.073 0.000 2.179 269 G HA2 -0.045 3.916 3.960 0.001 0.000 0.260 269 G HA3 -0.045 3.916 3.960 0.001 0.000 0.260 269 G C -0.193 174.719 174.900 0.019 0.000 0.977 269 G CA 1.671 46.781 45.100 0.016 0.000 0.641 269 G HN 1.960 nan 8.290 nan 0.000 0.533 270 E N -1.364 118.872 120.200 0.060 0.000 2.403 270 E HA 0.387 4.737 4.350 0.001 0.000 0.280 270 E C -0.501 176.133 176.600 0.058 0.000 1.101 270 E CA -0.550 55.878 56.400 0.047 0.000 0.856 270 E CB 0.602 30.302 29.700 -0.000 0.000 1.303 270 E HN 0.485 nan 8.360 nan 0.000 0.441 271 V N 2.296 122.233 119.914 0.039 0.000 2.557 271 V HA 0.000 4.121 4.120 0.001 0.000 0.301 271 V C 0.374 176.456 176.094 -0.019 0.000 1.026 271 V CA 0.283 62.593 62.300 0.018 0.000 1.137 271 V CB 0.180 32.008 31.823 0.008 0.000 0.917 271 V HN 0.489 nan 8.190 nan 0.000 0.484 272 L N 9.751 130.956 121.223 -0.031 0.000 2.270 272 L HA 0.527 4.868 4.340 0.001 0.000 0.286 272 L C -2.260 174.552 176.870 -0.097 0.000 1.059 272 L CA -1.623 53.154 54.840 -0.105 0.000 0.839 272 L CB 0.858 42.865 42.059 -0.086 0.000 1.221 272 L HN 0.406 nan 8.230 nan 0.000 0.431 273 P HA 0.021 nan 4.420 nan 0.000 0.266 273 P C 1.026 178.276 177.300 -0.083 0.000 1.195 273 P CA -0.232 62.821 63.100 -0.079 0.000 0.768 273 P CB 0.828 32.481 31.700 -0.078 0.000 0.838 274 V N 2.336 122.219 119.914 -0.052 0.000 2.392 274 V HA -0.279 3.842 4.120 0.001 0.000 0.249 274 V C 2.278 178.339 176.094 -0.056 0.000 1.059 274 V CA 2.685 64.958 62.300 -0.044 0.000 1.051 274 V CB -1.411 30.400 31.823 -0.020 0.000 0.658 274 V HN 0.722 nan 8.190 nan 0.000 0.455 275 S N -0.023 115.644 115.700 -0.056 0.000 2.368 275 S HA -0.178 4.293 4.470 0.001 0.000 0.225 275 S C 1.924 176.474 174.600 -0.083 0.000 1.030 275 S CA 1.690 59.856 58.200 -0.057 0.000 0.999 275 S CB -0.703 62.469 63.200 -0.047 0.000 0.844 275 S HN 0.357 nan 8.310 nan 0.000 0.459 276 V N 2.736 122.577 119.914 -0.120 0.000 2.307 276 V HA -0.076 4.045 4.120 0.001 0.000 0.245 276 V C 3.172 179.153 176.094 -0.189 0.000 1.045 276 V CA 1.603 63.796 62.300 -0.178 0.000 1.024 276 V CB -1.621 30.042 31.823 -0.267 0.000 0.651 276 V HN 0.662 nan 8.190 nan 0.000 0.449 277 A N -0.122 122.596 122.820 -0.169 0.000 1.877 277 A HA -0.285 4.036 4.320 0.001 0.000 0.216 277 A C 2.327 179.854 177.584 -0.096 0.000 1.186 277 A CA 2.344 54.302 52.037 -0.133 0.000 0.620 277 A CB -0.567 18.381 19.000 -0.087 0.000 0.822 277 A HN 0.511 nan 8.150 nan 0.000 0.443 278 K N -0.477 119.880 120.400 -0.072 0.000 2.001 278 K HA -0.194 4.127 4.320 0.001 0.000 0.214 278 K C 2.226 178.798 176.600 -0.046 0.000 1.050 278 K CA 1.582 57.840 56.287 -0.049 0.000 0.934 278 K CB -0.390 32.087 32.500 -0.038 0.000 0.718 278 K HN 0.397 nan 8.250 nan 0.000 0.443 279 A N 1.125 123.914 122.820 -0.051 0.000 1.865 279 A HA -0.173 4.148 4.320 0.001 0.000 0.217 279 A C 2.165 179.743 177.584 -0.010 0.000 1.191 279 A CA 1.609 53.628 52.037 -0.029 0.000 0.623 279 A CB -0.792 18.192 19.000 -0.027 0.000 0.826 279 A HN 0.348 nan 8.150 nan 0.000 0.444 280 L N -0.650 120.533 121.223 -0.066 0.000 2.079 280 L HA -0.203 4.138 4.340 0.001 0.000 0.210 280 L C 2.456 179.328 176.870 0.003 0.000 1.081 280 L CA 1.096 55.881 54.840 -0.091 0.000 0.752 280 L CB -0.531 41.262 42.059 -0.444 0.000 0.896 280 L HN 0.388 nan 8.230 nan 0.000 0.433 281 L N -0.529 120.674 121.223 -0.034 0.000 2.353 281 L HA -0.198 4.142 4.340 0.001 0.000 0.220 281 L C 2.488 179.365 176.870 0.011 0.000 1.133 281 L CA 0.969 55.806 54.840 -0.005 0.000 0.798 281 L CB -0.289 41.756 42.059 -0.024 0.000 0.922 281 L HN 0.394 nan 8.230 nan 0.000 0.445 282 E N 0.403 120.605 120.200 0.003 0.000 2.079 282 E HA -0.088 4.262 4.350 0.001 0.000 0.191 282 E C 2.064 178.627 176.600 -0.060 0.000 0.961 282 E CA 0.226 56.613 56.400 -0.022 0.000 0.823 282 E CB 0.232 29.916 29.700 -0.026 0.000 0.789 282 E HN 0.366 nan 8.360 nan 0.000 0.459 283 R N -0.653 119.800 120.500 -0.080 0.000 2.299 283 R HA 0.078 4.419 4.340 0.001 0.000 0.197 283 R C -0.163 175.752 176.300 -0.642 0.000 0.971 283 R CA 0.269 56.168 56.100 -0.335 0.000 1.030 283 R CB 0.264 30.325 30.300 -0.399 0.000 0.932 283 R HN 0.086 nan 8.270 nan 0.000 0.477 284 F N 0.821 120.723 119.950 -0.081 0.000 2.710 284 F HA 0.282 4.810 4.527 0.001 0.000 0.345 284 F C -1.735 174.058 175.800 -0.011 0.000 1.362 284 F CA -2.270 55.711 58.000 -0.030 0.000 1.175 284 F CB 1.684 40.722 39.000 0.063 0.000 1.561 284 F HN -0.185 nan 8.300 nan 0.000 0.593 285 P HA -0.148 nan 4.420 nan 0.000 0.223 285 P C 0.708 178.044 177.300 0.060 0.000 1.151 285 P CA 1.282 64.408 63.100 0.045 0.000 0.787 285 P CB 0.331 32.029 31.700 -0.003 0.000 0.788 286 K N -0.597 119.851 120.400 0.080 0.000 2.444 286 K HA 0.307 4.627 4.320 0.001 0.000 0.193 286 K C 0.816 177.475 176.600 0.099 0.000 1.024 286 K CA -0.100 56.228 56.287 0.067 0.000 1.077 286 K CB 0.397 32.922 32.500 0.041 0.000 0.833 286 K HN 0.070 nan 8.250 nan 0.000 0.517 287 A N 1.700 124.620 122.820 0.168 0.000 2.342 287 A HA 0.401 4.722 4.320 0.001 0.000 0.323 287 A C -0.791 176.897 177.584 0.173 0.000 1.125 287 A CA -0.773 51.379 52.037 0.192 0.000 0.785 287 A CB 0.819 20.014 19.000 0.326 0.000 1.221 287 A HN 0.032 nan 8.150 nan 0.000 0.463 288 K N 1.213 121.690 120.400 0.129 0.000 2.143 288 K HA 0.521 4.841 4.320 0.001 0.000 0.272 288 K C -1.186 175.442 176.600 0.047 0.000 1.001 288 K CA -0.350 55.944 56.287 0.012 0.000 0.915 288 K CB 1.219 33.685 32.500 -0.057 0.000 1.047 288 K HN 0.500 nan 8.250 nan 0.000 0.458 289 I N 2.731 123.243 120.570 -0.097 0.000 2.377 289 I HA 0.307 4.478 4.170 0.001 0.000 0.293 289 I C -0.701 175.313 176.117 -0.170 0.000 0.987 289 I CA -0.214 61.107 61.300 0.035 0.000 1.185 289 I CB 0.634 38.677 38.000 0.071 0.000 1.341 289 I HN 0.379 nan 8.210 nan 0.000 0.455 290 F N 4.254 124.337 119.950 0.222 0.000 2.507 290 F HA 0.463 4.991 4.527 0.001 0.000 0.325 290 F C 0.211 176.186 175.800 0.292 0.000 1.116 290 F CA -0.711 57.434 58.000 0.242 0.000 0.930 290 F CB 1.588 40.764 39.000 0.294 0.000 1.146 290 F HN 0.361 nan 8.300 nan 0.000 0.447 291 N N 1.620 120.582 118.700 0.437 0.000 2.392 291 N HA 0.478 5.219 4.740 0.001 0.000 0.283 291 N C -1.059 174.672 175.510 0.368 0.000 1.003 291 N CA -0.318 52.950 53.050 0.363 0.000 0.892 291 N CB 1.318 39.935 38.487 0.217 0.000 1.193 291 N HN 0.668 nan 8.380 nan 0.000 0.487 292 T N 0.419 115.188 114.554 0.357 0.000 2.893 292 T HA 0.499 4.850 4.350 0.001 0.000 0.291 292 T C -1.108 173.805 174.700 0.355 0.000 1.028 292 T CA -0.705 61.626 62.100 0.384 0.000 0.995 292 T CB 1.142 70.231 68.868 0.369 0.000 1.051 292 T HN 0.429 nan 8.240 nan 0.000 0.470 293 Y N 0.831 121.259 120.300 0.213 0.000 2.536 293 Y HA 0.757 5.307 4.550 0.001 0.000 0.347 293 Y C -0.197 175.783 175.900 0.133 0.000 1.000 293 Y CA 0.066 58.246 58.100 0.134 0.000 1.051 293 Y CB 1.868 40.365 38.460 0.062 0.000 1.259 293 Y HN 1.340 nan 8.280 nan 0.000 0.468 294 G N 4.221 112.394 108.800 -1.046 0.000 2.347 294 G HA2 0.338 4.299 3.960 0.001 0.000 0.303 294 G HA3 0.338 4.299 3.960 0.001 0.000 0.303 294 G C -3.631 170.941 174.900 -0.546 0.000 1.481 294 G CA -1.075 43.519 45.100 -0.844 0.000 0.914 294 G HN 0.493 nan 8.290 nan 0.000 0.638 295 P HA 0.411 nan 4.420 nan 0.000 0.287 295 P C 0.614 177.825 177.300 -0.149 0.000 1.290 295 P CA -0.276 62.717 63.100 -0.177 0.000 0.889 295 P CB 1.997 33.654 31.700 -0.071 0.000 1.190 296 T N 0.172 114.684 114.554 -0.071 0.000 2.803 296 T HA -0.137 4.214 4.350 0.001 0.000 0.269 296 T C 1.284 175.929 174.700 -0.093 0.000 1.052 296 T CA 1.720 63.800 62.100 -0.034 0.000 1.136 296 T CB -0.463 68.440 68.868 0.059 0.000 0.864 296 T HN 0.520 nan 8.240 nan 0.000 0.467 297 E N 1.143 121.219 120.200 -0.206 0.000 2.333 297 E HA 0.077 4.428 4.350 0.001 0.000 0.198 297 E C 1.407 177.808 176.600 -0.331 0.000 1.007 297 E CA 0.734 56.925 56.400 -0.349 0.000 0.845 297 E CB -0.078 29.020 29.700 -1.003 0.000 0.766 297 E HN 0.476 nan 8.360 nan 0.000 0.507 298 A N 0.219 122.872 122.820 -0.279 0.000 2.749 298 A HA 0.252 4.572 4.320 0.001 0.000 0.299 298 A C -0.134 177.377 177.584 -0.122 0.000 1.105 298 A CA -0.317 51.615 52.037 -0.176 0.000 0.987 298 A CB -0.338 18.563 19.000 -0.165 0.000 1.180 298 A HN -0.002 nan 8.150 nan 0.000 0.528 299 T N -0.184 114.288 114.554 -0.137 0.000 3.247 299 T HA -0.153 4.198 4.350 0.001 0.000 0.434 299 T C 1.081 175.581 174.700 -0.334 0.000 0.770 299 T CA 0.812 62.800 62.100 -0.187 0.000 2.236 299 T CB -2.394 66.388 68.868 -0.143 0.000 1.678 299 T HN 1.603 nan 8.240 nan 0.000 0.645 300 V N -2.955 116.799 119.914 -0.267 0.000 0.648 300 V HA -0.304 3.817 4.120 0.001 0.000 0.092 300 V C 0.932 176.979 176.094 -0.079 0.000 1.340 300 V CA 1.868 64.007 62.300 -0.269 0.000 3.233 300 V CB -1.691 29.699 31.823 -0.721 0.000 0.475 300 V HN 2.247 nan 8.190 nan 0.000 0.473 301 A N -0.761 122.134 122.820 0.124 0.000 2.515 301 A HA 0.835 5.155 4.320 0.001 0.000 0.298 301 A C -0.333 177.502 177.584 0.419 0.000 1.059 301 A CA 0.259 52.477 52.037 0.301 0.000 0.698 301 A CB 2.378 21.642 19.000 0.441 0.000 1.289 301 A HN 1.833 nan 8.150 nan 0.000 0.404 302 V N -1.192 118.840 119.914 0.198 0.000 3.330 302 V HA 0.400 4.521 4.120 0.001 0.000 0.309 302 V C 0.306 176.404 176.094 0.007 0.000 1.481 302 V CA 0.830 63.090 62.300 -0.065 0.000 1.068 302 V CB -0.685 31.099 31.823 -0.065 0.000 0.935 302 V HN 1.274 nan 8.190 nan 0.000 0.453 303 T N -2.619 112.140 114.554 0.342 0.000 2.887 303 T HA 0.808 5.159 4.350 0.001 0.000 0.292 303 T C -0.505 174.568 174.700 0.622 0.000 1.087 303 T CA -0.081 62.247 62.100 0.380 0.000 1.009 303 T CB 2.231 71.271 68.868 0.286 0.000 1.203 303 T HN 0.692 nan 8.240 nan 0.000 0.518 304 S N -0.392 115.633 115.700 0.541 0.000 2.552 304 S HA 0.695 5.166 4.470 0.001 0.000 0.272 304 S C -2.053 172.821 174.600 0.457 0.000 1.150 304 S CA -0.386 58.163 58.200 0.582 0.000 0.849 304 S CB 1.630 65.294 63.200 0.774 0.000 1.113 304 S HN 1.815 nan 8.310 nan 0.000 0.458 305 V N 3.243 123.421 119.914 0.440 0.000 2.859 305 V HA 0.374 4.495 4.120 0.001 0.000 0.276 305 V C -0.652 175.585 176.094 0.238 0.000 1.496 305 V CA -0.443 62.065 62.300 0.346 0.000 0.929 305 V CB 1.453 33.405 31.823 0.215 0.000 1.147 305 V HN 1.051 nan 8.190 nan 0.000 0.449 306 E N 5.961 126.218 120.200 0.095 0.000 2.414 306 E HA 0.218 4.569 4.350 0.001 0.000 0.263 306 E C -0.681 175.835 176.600 -0.139 0.000 1.000 306 E CA -0.354 55.855 56.400 -0.318 0.000 0.914 306 E CB 0.745 30.195 29.700 -0.417 0.000 0.948 306 E HN 0.558 nan 8.360 nan 0.000 0.444 307 I N 5.248 125.721 120.570 -0.163 0.000 2.307 307 I HA 0.125 4.296 4.170 0.001 0.000 0.289 307 I C 0.565 176.634 176.117 -0.080 0.000 1.021 307 I CA -0.149 61.111 61.300 -0.068 0.000 1.224 307 I CB 0.297 38.283 38.000 -0.023 0.000 1.376 307 I HN 0.554 nan 8.210 nan 0.000 0.470 308 T N 1.659 116.182 114.554 -0.051 0.000 2.927 308 T HA 0.384 4.734 4.350 0.001 0.000 0.286 308 T C 0.939 175.627 174.700 -0.020 0.000 1.040 308 T CA -0.644 61.432 62.100 -0.041 0.000 1.010 308 T CB 1.510 70.358 68.868 -0.034 0.000 1.177 308 T HN 0.333 nan 8.240 nan 0.000 0.546 309 N N 0.532 119.223 118.700 -0.016 0.000 2.149 309 N HA -0.111 4.630 4.740 0.001 0.000 0.188 309 N C 1.499 177.010 175.510 0.002 0.000 1.019 309 N CA 1.194 54.239 53.050 -0.008 0.000 0.857 309 N CB -0.304 38.179 38.487 -0.007 0.000 0.997 309 N HN 0.677 nan 8.380 nan 0.000 0.426 310 D N -0.231 120.172 120.400 0.005 0.000 2.104 310 D HA -0.106 4.535 4.640 0.001 0.000 0.194 310 D C 1.712 178.028 176.300 0.027 0.000 0.994 310 D CA 0.889 54.899 54.000 0.017 0.000 0.830 310 D CB 0.092 40.903 40.800 0.019 0.000 0.959 310 D HN 0.037 nan 8.370 nan 0.000 0.452 311 V N 1.258 121.188 119.914 0.025 0.000 2.427 311 V HA -0.194 3.927 4.120 0.001 0.000 0.248 311 V C 2.647 178.761 176.094 0.032 0.000 1.051 311 V CA 0.826 63.148 62.300 0.037 0.000 1.048 311 V CB -0.276 31.562 31.823 0.025 0.000 0.666 311 V HN 0.212 nan 8.190 nan 0.000 0.456 312 I N 1.437 122.016 120.570 0.015 0.000 2.091 312 I HA -0.281 3.890 4.170 0.001 0.000 0.239 312 I C 2.634 178.765 176.117 0.023 0.000 1.061 312 I CA 2.205 63.512 61.300 0.012 0.000 1.317 312 I CB -0.599 37.400 38.000 -0.003 0.000 1.031 312 I HN 0.493 nan 8.210 nan 0.000 0.401 313 S N 0.393 116.105 115.700 0.021 0.000 2.507 313 S HA -0.168 4.303 4.470 0.001 0.000 0.235 313 S C 1.938 176.559 174.600 0.035 0.000 0.988 313 S CA 0.617 58.831 58.200 0.023 0.000 0.944 313 S CB -0.468 62.742 63.200 0.017 0.000 0.762 313 S HN 0.419 nan 8.310 nan 0.000 0.526 314 R N 1.677 122.206 120.500 0.048 0.000 2.297 314 R HA 0.104 4.445 4.340 0.001 0.000 0.197 314 R C -0.375 175.978 176.300 0.089 0.000 0.943 314 R CA 0.764 56.903 56.100 0.066 0.000 1.038 314 R CB 0.143 30.490 30.300 0.079 0.000 0.957 314 R HN 0.595 nan 8.270 nan 0.000 0.484 315 S N -2.073 113.679 115.700 0.087 0.000 2.556 315 S HA 0.163 4.634 4.470 0.001 0.000 0.280 315 S C -0.258 174.393 174.600 0.085 0.000 1.141 315 S CA -1.028 57.240 58.200 0.113 0.000 0.883 315 S CB 1.564 64.891 63.200 0.211 0.000 1.103 315 S HN 0.152 nan 8.310 nan 0.000 0.453 316 E N 0.923 121.170 120.200 0.079 0.000 2.285 316 E HA 0.061 4.412 4.350 0.001 0.000 0.194 316 E C 0.255 176.892 176.600 0.062 0.000 0.997 316 E CA 0.640 57.073 56.400 0.055 0.000 0.845 316 E CB 0.272 29.998 29.700 0.044 0.000 0.782 316 E HN 0.530 nan 8.360 nan 0.000 0.491 317 S N 0.812 116.574 115.700 0.103 0.000 2.707 317 S HA 0.265 4.735 4.470 0.001 0.000 0.312 317 S C -0.611 174.053 174.600 0.106 0.000 1.116 317 S CA -0.831 57.430 58.200 0.100 0.000 1.078 317 S CB 0.412 63.691 63.200 0.132 0.000 0.997 317 S HN -0.037 nan 8.310 nan 0.000 0.477 318 L N 7.027 128.261 121.223 0.017 0.000 2.559 318 L HA 0.263 4.604 4.340 0.001 0.000 0.282 318 L C -1.534 175.206 176.870 -0.218 0.000 1.232 318 L CA -0.521 54.283 54.840 -0.060 0.000 0.885 318 L CB -0.307 41.719 42.059 -0.055 0.000 1.131 318 L HN 0.521 nan 8.230 nan 0.000 0.498 319 P HA 0.121 nan 4.420 nan 0.000 0.276 319 P C 0.423 177.394 177.300 -0.549 0.000 1.261 319 P CA -0.360 62.084 63.100 -1.094 0.000 0.800 319 P CB 1.079 31.844 31.700 -1.558 0.000 1.066 320 V N -4.168 115.429 119.914 -0.529 0.000 3.647 320 V HA 0.442 4.563 4.120 0.001 0.000 0.279 320 V C 0.948 176.964 176.094 -0.131 0.000 1.314 320 V CA 0.542 62.711 62.300 -0.219 0.000 1.125 320 V CB -1.091 30.605 31.823 -0.212 0.000 0.907 320 V HN 0.985 nan 8.190 nan 0.000 0.434 321 G N 0.657 109.268 108.800 -0.316 0.000 2.587 321 G HA2 -0.142 3.818 3.960 0.001 0.000 0.212 321 G HA3 -0.142 3.818 3.960 0.001 0.000 0.212 321 G C -0.717 173.962 174.900 -0.369 0.000 1.327 321 G CA -0.299 44.647 45.100 -0.257 0.000 0.898 321 G HN 0.394 nan 8.290 nan 0.000 0.551 322 F N 1.538 121.540 119.950 0.087 0.000 2.385 322 F HA 0.668 5.196 4.527 0.002 0.000 0.336 322 F C 1.235 177.105 175.800 0.116 0.000 1.100 322 F CA 0.104 58.159 58.000 0.092 0.000 1.116 322 F CB 1.332 40.389 39.000 0.094 0.000 1.166 322 F HN 0.908 nan 8.300 nan 0.000 0.511 323 A N 2.799 125.745 122.820 0.210 0.000 2.531 323 A HA 0.101 4.422 4.320 0.001 0.000 0.236 323 A C 0.424 178.041 177.584 0.055 0.000 1.062 323 A CA -0.506 51.594 52.037 0.106 0.000 0.760 323 A CB -0.101 18.942 19.000 0.071 0.000 0.995 323 A HN 0.827 nan 8.150 nan 0.000 0.501 324 K N 3.268 123.569 120.400 -0.165 0.000 2.511 324 K HA 0.063 4.384 4.320 0.001 0.000 0.280 324 K C -1.731 174.717 176.600 -0.254 0.000 1.008 324 K CA -0.757 55.206 56.287 -0.539 0.000 1.050 324 K CB 0.344 32.174 32.500 -1.118 0.000 0.889 324 K HN 0.386 nan 8.250 nan 0.000 0.484 325 P HA -0.281 nan 4.420 nan 0.000 0.224 325 P C 0.012 177.293 177.300 -0.031 0.000 1.153 325 P CA 2.196 65.281 63.100 -0.025 0.000 0.947 325 P CB 0.027 31.744 31.700 0.028 0.000 0.790 326 D N -3.650 116.709 120.400 -0.068 0.000 2.340 326 D HA -0.000 4.640 4.640 0.001 0.000 0.220 326 D C 0.531 176.816 176.300 -0.026 0.000 1.039 326 D CA 0.493 54.477 54.000 -0.027 0.000 0.866 326 D CB -0.496 40.295 40.800 -0.014 0.000 0.913 326 D HN 0.044 nan 8.370 nan 0.000 0.523 327 M N 0.555 120.116 119.600 -0.065 0.000 2.409 327 M HA 0.325 4.806 4.480 0.001 0.000 0.329 327 M C -0.561 175.752 176.300 0.022 0.000 1.180 327 M CA -0.679 54.598 55.300 -0.039 0.000 1.053 327 M CB 0.992 33.529 32.600 -0.104 0.000 1.586 327 M HN -0.125 nan 8.290 nan 0.000 0.461 328 N N 2.224 120.962 118.700 0.063 0.000 2.518 328 N HA 0.561 5.302 4.740 0.001 0.000 0.254 328 N C -1.735 173.850 175.510 0.125 0.000 0.979 328 N CA -0.174 52.965 53.050 0.149 0.000 0.930 328 N CB 0.656 39.283 38.487 0.233 0.000 1.152 328 N HN 0.578 nan 8.380 nan 0.000 0.505 329 I N 4.227 124.856 120.570 0.099 0.000 2.433 329 I HA 0.529 4.700 4.170 0.001 0.000 0.292 329 I C -0.847 175.303 176.117 0.054 0.000 1.001 329 I CA -0.983 60.279 61.300 -0.064 0.000 1.119 329 I CB 0.774 38.745 38.000 -0.048 0.000 1.289 329 I HN 0.410 nan 8.210 nan 0.000 0.438 330 F N 5.246 125.180 119.950 -0.027 0.000 2.662 330 F HA 0.658 5.186 4.527 0.001 0.000 0.312 330 F C -1.332 174.456 175.800 -0.021 0.000 1.113 330 F CA -1.276 56.715 58.000 -0.014 0.000 0.951 330 F CB 0.902 39.896 39.000 -0.010 0.000 1.344 330 F HN -0.019 nan 8.300 nan 0.000 0.462 331 I N 3.270 123.964 120.570 0.206 0.000 2.331 331 I HA 0.423 4.594 4.170 0.001 0.000 0.292 331 I C -0.460 175.769 176.117 0.187 0.000 0.998 331 I CA -0.545 60.826 61.300 0.119 0.000 1.267 331 I CB 1.130 39.195 38.000 0.108 0.000 1.386 331 I HN 0.677 nan 8.210 nan 0.000 0.476 332 M N 5.388 125.063 119.600 0.126 0.000 2.465 332 M HA 0.316 4.796 4.480 0.001 0.000 0.316 332 M C -0.145 176.191 176.300 0.059 0.000 1.121 332 M CA -0.901 54.476 55.300 0.129 0.000 0.934 332 M CB 2.559 35.258 32.600 0.166 0.000 1.692 332 M HN 0.510 nan 8.290 nan 0.000 0.444 333 D N 1.508 121.936 120.400 0.046 0.000 2.414 333 D HA 0.104 4.745 4.640 0.001 0.000 0.251 333 D C 0.262 176.565 176.300 0.006 0.000 1.252 333 D CA -0.195 53.817 54.000 0.020 0.000 0.999 333 D CB 0.821 41.629 40.800 0.015 0.000 1.093 333 D HN 0.599 nan 8.370 nan 0.000 0.515 334 E N 0.202 120.398 120.200 -0.007 0.000 2.049 334 E HA -0.232 4.119 4.350 0.001 0.000 0.198 334 E C 1.806 178.394 176.600 -0.020 0.000 1.007 334 E CA 1.769 58.158 56.400 -0.018 0.000 0.809 334 E CB -0.239 29.449 29.700 -0.020 0.000 0.749 334 E HN 0.584 nan 8.360 nan 0.000 0.450 335 E N -0.595 119.597 120.200 -0.015 0.000 2.333 335 E HA -0.116 4.235 4.350 0.001 0.000 0.200 335 E C 0.790 177.377 176.600 -0.022 0.000 1.010 335 E CA 0.546 56.934 56.400 -0.018 0.000 0.841 335 E CB -0.182 29.511 29.700 -0.013 0.000 0.757 335 E HN 0.418 nan 8.360 nan 0.000 0.508 336 G N 0.895 109.689 108.800 -0.010 0.000 2.165 336 G HA2 -0.201 3.760 3.960 0.001 0.000 0.226 336 G HA3 -0.201 3.760 3.960 0.001 0.000 0.226 336 G C -0.271 174.647 174.900 0.030 0.000 1.035 336 G CA -0.246 44.852 45.100 -0.003 0.000 0.744 336 G HN 0.032 nan 8.290 nan 0.000 0.501 337 Q N -0.164 119.659 119.800 0.038 0.000 2.345 337 Q HA 0.523 4.864 4.340 0.001 0.000 0.268 337 Q C -2.571 173.470 176.000 0.069 0.000 1.054 337 Q CA -2.151 53.678 55.803 0.043 0.000 0.835 337 Q CB 2.661 31.409 28.738 0.017 0.000 1.339 337 Q HN 0.311 nan 8.270 nan 0.000 0.447 338 P HA 0.152 nan 4.420 nan 0.000 0.276 338 P C -0.480 176.856 177.300 0.060 0.000 1.243 338 P CA 0.068 63.215 63.100 0.078 0.000 0.768 338 P CB 0.700 32.398 31.700 -0.002 0.000 0.856 339 L N 5.599 126.870 121.223 0.080 0.000 2.416 339 L HA 0.505 4.846 4.340 0.001 0.000 0.262 339 L C -1.317 175.587 176.870 0.056 0.000 1.093 339 L CA -2.170 52.703 54.840 0.055 0.000 0.801 339 L CB 0.719 42.811 42.059 0.054 0.000 1.191 339 L HN 0.279 nan 8.230 nan 0.000 0.459 340 P HA 0.164 nan 4.420 nan 0.000 0.293 340 P C -0.908 176.416 177.300 0.040 0.000 1.304 340 P CA -0.662 62.458 63.100 0.033 0.000 0.767 340 P CB 0.566 32.273 31.700 0.013 0.000 1.247 341 E N -0.926 119.296 120.200 0.037 0.000 2.418 341 E HA 0.166 4.517 4.350 0.001 0.000 0.261 341 E C 1.163 177.757 176.600 -0.010 0.000 1.070 341 E CA 0.947 57.373 56.400 0.044 0.000 0.931 341 E CB -0.286 29.439 29.700 0.042 0.000 0.954 341 E HN 0.835 nan 8.360 nan 0.000 0.439 342 G N 2.178 110.961 108.800 -0.029 0.000 2.353 342 G HA2 -0.290 3.671 3.960 0.001 0.000 0.258 342 G HA3 -0.290 3.671 3.960 0.001 0.000 0.258 342 G C 0.141 174.885 174.900 -0.260 0.000 1.013 342 G CA 0.386 45.344 45.100 -0.237 0.000 0.622 342 G HN 0.521 nan 8.290 nan 0.000 0.535 343 E N 1.159 121.302 120.200 -0.096 0.000 2.259 343 E HA 0.317 4.668 4.350 0.001 0.000 0.281 343 E C 0.406 177.007 176.600 0.001 0.000 1.037 343 E CA -0.383 55.977 56.400 -0.067 0.000 0.854 343 E CB 1.367 31.051 29.700 -0.025 0.000 1.051 343 E HN 0.482 nan 8.360 nan 0.000 0.409 344 K N 1.524 121.918 120.400 -0.010 0.000 2.350 344 K HA 0.353 4.674 4.320 0.001 0.000 0.279 344 K C 0.085 176.717 176.600 0.054 0.000 1.027 344 K CA 0.000 56.329 56.287 0.069 0.000 0.969 344 K CB 0.574 33.102 32.500 0.046 0.000 0.954 344 K HN 0.635 nan 8.250 nan 0.000 0.474 345 G N 2.352 111.192 108.800 0.067 0.000 2.753 345 G HA2 0.154 4.115 3.960 0.001 0.000 0.303 345 G HA3 0.154 4.115 3.960 0.001 0.000 0.303 345 G C -1.578 173.330 174.900 0.014 0.000 1.242 345 G CA -0.541 44.580 45.100 0.036 0.000 0.810 345 G HN 0.611 nan 8.290 nan 0.000 0.515 346 E N -0.372 119.824 120.200 -0.007 0.000 2.191 346 E HA 0.525 4.876 4.350 0.001 0.000 0.274 346 E C -0.382 176.171 176.600 -0.079 0.000 0.948 346 E CA -0.659 55.715 56.400 -0.044 0.000 0.802 346 E CB 1.446 31.111 29.700 -0.059 0.000 1.137 346 E HN 0.295 nan 8.360 nan 0.000 0.397 347 I N 3.826 124.333 120.570 -0.105 0.000 2.441 347 I HA 0.147 4.318 4.170 0.001 0.000 0.287 347 I C -0.485 175.490 176.117 -0.237 0.000 1.049 347 I CA -0.485 60.722 61.300 -0.154 0.000 1.381 347 I CB 1.116 39.053 38.000 -0.105 0.000 1.409 347 I HN 0.263 nan 8.210 nan 0.000 0.523 348 V N 7.637 127.293 119.914 -0.430 0.000 2.656 348 V HA 0.500 4.621 4.120 0.001 0.000 0.307 348 V C -0.172 175.545 176.094 -0.628 0.000 1.051 348 V CA -0.567 61.383 62.300 -0.582 0.000 0.893 348 V CB 2.289 33.629 31.823 -0.805 0.000 0.999 348 V HN 0.463 nan 8.190 nan 0.000 0.426 349 I N 3.329 123.653 120.570 -0.409 0.000 2.436 349 I HA 0.816 4.987 4.170 0.001 0.000 0.289 349 I C -0.015 175.961 176.117 -0.235 0.000 1.010 349 I CA -0.550 60.593 61.300 -0.263 0.000 1.098 349 I CB 1.956 39.894 38.000 -0.103 0.000 1.266 349 I HN 0.727 nan 8.210 nan 0.000 0.434 350 A N 4.556 127.297 122.820 -0.132 0.000 2.393 350 A HA 1.002 5.323 4.320 0.001 0.000 0.306 350 A C -0.258 177.348 177.584 0.036 0.000 1.050 350 A CA -0.290 51.729 52.037 -0.029 0.000 0.724 350 A CB 1.765 20.819 19.000 0.091 0.000 1.248 350 A HN 1.010 nan 8.150 nan 0.000 0.424 351 G N 1.370 110.211 108.800 0.067 0.000 2.361 351 G HA2 0.365 4.325 3.960 0.001 0.000 0.305 351 G HA3 0.365 4.325 3.960 0.001 0.000 0.305 351 G C -2.634 172.315 174.900 0.081 0.000 1.367 351 G CA 0.097 45.238 45.100 0.068 0.000 0.951 351 G HN 0.512 nan 8.290 nan 0.000 0.615 352 P HA -0.004 nan 4.420 nan 0.000 0.229 352 P C 1.342 178.681 177.300 0.064 0.000 1.150 352 P CA 1.511 64.658 63.100 0.077 0.000 0.765 352 P CB 0.208 31.950 31.700 0.070 0.000 0.783 353 S N -0.728 114.997 115.700 0.041 0.000 2.478 353 S HA 0.042 4.512 4.470 0.001 0.000 0.222 353 S C 1.019 175.628 174.600 0.015 0.000 1.008 353 S CA -0.079 58.136 58.200 0.026 0.000 0.928 353 S CB -0.321 62.883 63.200 0.006 0.000 0.781 353 S HN -0.005 nan 8.310 nan 0.000 0.518 354 V N 2.872 122.819 119.914 0.056 0.000 2.599 354 V HA 0.109 4.229 4.120 0.001 0.000 0.300 354 V C 0.656 176.857 176.094 0.177 0.000 1.034 354 V CA -0.247 62.117 62.300 0.107 0.000 1.115 354 V CB 1.039 32.959 31.823 0.163 0.000 0.934 354 V HN 0.328 nan 8.190 nan 0.000 0.485 355 S N 4.168 119.955 115.700 0.146 0.000 2.576 355 S HA 0.161 4.631 4.470 0.001 0.000 0.276 355 S C 1.413 176.026 174.600 0.022 0.000 1.339 355 S CA -0.290 57.923 58.200 0.022 0.000 1.039 355 S CB 0.577 63.730 63.200 -0.078 0.000 0.902 355 S HN 0.816 nan 8.310 nan 0.000 0.516 356 R N 2.917 123.330 120.500 -0.146 0.000 2.241 356 R HA 0.307 4.647 4.340 0.001 0.000 0.224 356 R C 1.129 177.160 176.300 -0.449 0.000 1.101 356 R CA 0.719 56.679 56.100 -0.233 0.000 0.995 356 R CB -0.724 29.392 30.300 -0.307 0.000 0.870 356 R HN 0.817 nan 8.270 nan 0.000 0.463 357 G N -0.755 107.588 108.800 -0.762 0.000 2.325 357 G HA2 -0.064 3.897 3.960 0.001 0.000 0.285 357 G HA3 -0.064 3.897 3.960 0.001 0.000 0.285 357 G C -1.531 172.993 174.900 -0.626 0.000 1.303 357 G CA -0.784 43.589 45.100 -1.212 0.000 0.970 357 G HN 0.176 nan 8.290 nan 0.000 0.490 358 Y N -0.020 120.142 120.300 -0.229 0.000 2.393 358 Y HA 0.453 5.004 4.550 0.001 0.000 0.338 358 Y C 1.093 176.929 175.900 -0.106 0.000 1.029 358 Y CA -0.889 57.138 58.100 -0.121 0.000 1.239 358 Y CB 1.300 39.745 38.460 -0.025 0.000 1.170 358 Y HN 0.529 nan 8.280 nan 0.000 0.515 359 L N 4.364 125.608 121.223 0.036 0.000 2.628 359 L HA 0.122 4.462 4.340 0.001 0.000 0.274 359 L C 1.192 178.100 176.870 0.063 0.000 1.209 359 L CA 0.931 55.783 54.840 0.021 0.000 0.930 359 L CB -0.390 41.682 42.059 0.022 0.000 1.183 359 L HN 0.939 nan 8.230 nan 0.000 0.492 360 G N 3.319 112.149 108.800 0.049 0.000 2.187 360 G HA2 -0.269 3.692 3.960 0.001 0.000 0.261 360 G HA3 -0.269 3.692 3.960 0.001 0.000 0.261 360 G C 0.385 175.328 174.900 0.071 0.000 1.000 360 G CA 0.583 45.717 45.100 0.057 0.000 0.718 360 G HN 0.660 nan 8.290 nan 0.000 0.519 361 E N -0.185 120.072 120.200 0.094 0.000 3.568 361 E HA 0.182 4.532 4.350 0.001 0.000 0.213 361 E C -1.296 175.388 176.600 0.141 0.000 1.197 361 E CA -1.228 55.246 56.400 0.123 0.000 1.126 361 E CB 1.233 31.029 29.700 0.160 0.000 1.285 361 E HN 0.337 nan 8.360 nan 0.000 0.418 362 P HA -0.189 nan 4.420 nan 0.000 0.216 362 P C 0.801 178.173 177.300 0.121 0.000 1.153 362 P CA 1.291 64.445 63.100 0.090 0.000 0.858 362 P CB 0.625 32.363 31.700 0.063 0.000 0.789 363 E N -0.024 120.245 120.200 0.114 0.000 2.110 363 E HA -0.100 4.251 4.350 0.001 0.000 0.193 363 E C 2.311 179.009 176.600 0.164 0.000 0.988 363 E CA 0.902 57.373 56.400 0.118 0.000 0.804 363 E CB -1.013 28.740 29.700 0.089 0.000 0.745 363 E HN 0.257 nan 8.360 nan 0.000 0.458 364 L N 0.302 121.654 121.223 0.214 0.000 2.027 364 L HA -0.155 4.186 4.340 0.001 0.000 0.206 364 L C 2.303 179.435 176.870 0.437 0.000 1.074 364 L CA 1.535 56.570 54.840 0.325 0.000 0.745 364 L CB -0.791 41.492 42.059 0.372 0.000 0.898 364 L HN 0.186 nan 8.230 nan 0.000 0.433 365 T N -1.049 113.731 114.554 0.377 0.000 2.759 365 T HA -0.236 4.115 4.350 0.001 0.000 0.269 365 T C 1.724 176.617 174.700 0.323 0.000 1.042 365 T CA 1.522 63.776 62.100 0.256 0.000 1.140 365 T CB -0.173 68.684 68.868 -0.018 0.000 0.864 365 T HN 0.217 nan 8.240 nan 0.000 0.455 366 E N 1.194 121.535 120.200 0.235 0.000 2.070 366 E HA -0.149 4.202 4.350 0.001 0.000 0.197 366 E C 2.060 178.772 176.600 0.186 0.000 1.004 366 E CA 1.466 57.984 56.400 0.197 0.000 0.805 366 E CB -0.077 29.711 29.700 0.147 0.000 0.744 366 E HN 0.247 nan 8.360 nan 0.000 0.451 367 K N -0.789 119.719 120.400 0.179 0.000 2.155 367 K HA 0.128 4.449 4.320 0.001 0.000 0.203 367 K C 1.646 178.309 176.600 0.104 0.000 1.052 367 K CA 1.116 57.480 56.287 0.128 0.000 0.948 367 K CB 0.006 32.572 32.500 0.109 0.000 0.728 367 K HN 0.201 nan 8.250 nan 0.000 0.448 368 A N -0.526 122.382 122.820 0.146 0.000 1.973 368 A HA 0.252 4.573 4.320 0.001 0.000 0.210 368 A C 0.228 177.643 177.584 -0.283 0.000 1.200 368 A CA 0.233 52.216 52.037 -0.091 0.000 0.707 368 A CB 0.062 19.038 19.000 -0.039 0.000 0.862 368 A HN 0.091 nan 8.150 nan 0.000 0.461 369 F N -0.481 119.395 119.950 -0.123 0.000 2.440 369 F HA 0.658 5.185 4.527 0.002 0.000 0.328 369 F C -0.178 175.327 175.800 -0.492 0.000 1.070 369 F CA -1.266 56.436 58.000 -0.496 0.000 1.011 369 F CB 1.190 39.856 39.000 -0.556 0.000 1.226 369 F HN 0.295 nan 8.300 nan 0.000 0.491 370 F N -1.934 117.537 119.950 -0.798 0.000 2.829 370 F HA 0.413 4.941 4.527 0.001 0.000 0.319 370 F C -1.187 174.394 175.800 -0.364 0.000 1.153 370 F CA -1.525 56.187 58.000 -0.480 0.000 0.912 370 F CB 0.724 39.635 39.000 -0.149 0.000 1.292 370 F HN 0.271 nan 8.300 nan 0.000 0.447 371 S N 1.411 117.374 115.700 0.439 0.000 2.399 371 S HA 0.275 4.746 4.470 0.001 0.000 0.301 371 S C 0.385 175.327 174.600 0.570 0.000 1.093 371 S CA -0.062 58.429 58.200 0.485 0.000 1.077 371 S CB -0.378 63.095 63.200 0.455 0.000 0.980 371 S HN 0.908 nan 8.310 nan 0.000 0.494 372 H N 4.546 123.873 119.070 0.428 0.000 2.576 372 H HA 0.243 4.799 4.556 0.001 0.000 0.311 372 H C 0.339 175.807 175.328 0.233 0.000 1.037 372 H CA 1.601 57.931 56.048 0.469 0.000 1.272 372 H CB 0.168 30.189 29.762 0.432 0.000 1.497 372 H HN 0.669 nan 8.280 nan 0.000 0.642 373 E N -0.231 119.908 120.200 -0.103 0.000 3.786 373 E HA 0.343 4.694 4.350 0.001 0.000 0.215 373 E C -0.153 176.465 176.600 0.029 0.000 1.188 373 E CA 0.220 56.516 56.400 -0.174 0.000 1.248 373 E CB 0.829 30.308 29.700 -0.368 0.000 1.260 373 E HN 0.832 nan 8.360 nan 0.000 0.426 374 G N 0.823 109.683 108.800 0.099 0.000 3.405 374 G HA2 -0.258 3.703 3.960 0.001 0.000 0.246 374 G HA3 -0.258 3.703 3.960 0.001 0.000 0.246 374 G C -0.081 174.930 174.900 0.185 0.000 1.852 374 G CA -0.787 44.384 45.100 0.118 0.000 1.510 374 G HN 0.304 nan 8.290 nan 0.000 0.570 375 Q N 0.668 120.584 119.800 0.194 0.000 2.375 375 Q HA -0.040 4.300 4.340 0.001 0.000 0.344 375 Q C 0.007 176.181 176.000 0.290 0.000 1.169 375 Q CA 0.571 56.507 55.803 0.220 0.000 1.035 375 Q CB 0.416 29.276 28.738 0.203 0.000 1.222 375 Q HN 0.606 nan 8.270 nan 0.000 0.412 376 W N 0.968 122.289 121.300 0.035 0.000 2.335 376 W HA 0.424 5.085 4.660 0.002 0.000 0.306 376 W C -0.861 175.626 176.519 -0.052 0.000 1.216 376 W CA -0.342 57.007 57.345 0.006 0.000 1.237 376 W CB 0.796 30.255 29.460 -0.002 0.000 1.243 376 W HN 0.618 nan 8.180 nan 0.000 0.493 377 A N 5.586 128.037 122.820 -0.615 0.000 2.344 377 A HA 0.682 5.002 4.320 0.001 0.000 0.307 377 A C -2.359 174.663 177.584 -0.936 0.000 1.151 377 A CA -0.578 51.021 52.037 -0.730 0.000 0.842 377 A CB 1.894 20.396 19.000 -0.829 0.000 1.350 377 A HN 0.672 nan 8.150 nan 0.000 0.459 378 Y N 0.178 119.957 120.300 -0.868 0.000 2.396 378 Y HA 0.499 5.050 4.550 0.002 0.000 0.332 378 Y C -0.331 175.225 175.900 -0.573 0.000 1.034 378 Y CA -0.616 56.966 58.100 -0.864 0.000 1.057 378 Y CB 1.523 39.483 38.460 -0.833 0.000 1.220 378 Y HN 0.677 nan 8.280 nan 0.000 0.440 379 R N 3.979 123.839 120.500 -1.068 0.000 2.272 379 R HA 0.117 4.458 4.340 0.001 0.000 0.334 379 R C 1.119 176.801 176.300 -1.031 0.000 1.117 379 R CA 0.601 56.261 56.100 -0.734 0.000 0.966 379 R CB 0.420 30.477 30.300 -0.403 0.000 1.049 379 R HN 0.918 nan 8.270 nan 0.000 0.477 380 T N -0.466 113.718 114.554 -0.617 0.000 2.929 380 T HA -0.079 4.272 4.350 0.001 0.000 0.271 380 T C 1.578 176.187 174.700 -0.153 0.000 1.085 380 T CA 0.967 62.901 62.100 -0.276 0.000 1.125 380 T CB -0.027 68.865 68.868 0.040 0.000 0.874 380 T HN 0.787 nan 8.240 nan 0.000 0.494 381 G N 1.084 109.777 108.800 -0.178 0.000 2.184 381 G HA2 -0.202 3.759 3.960 0.001 0.000 0.264 381 G HA3 -0.202 3.759 3.960 0.001 0.000 0.264 381 G C -0.336 174.539 174.900 -0.042 0.000 0.975 381 G CA 0.178 45.217 45.100 -0.101 0.000 0.642 381 G HN 0.634 nan 8.290 nan 0.000 0.536 382 D N 1.037 121.428 120.400 -0.016 0.000 2.198 382 D HA 0.597 5.238 4.640 0.001 0.000 0.245 382 D C 0.674 176.958 176.300 -0.026 0.000 1.079 382 D CA 0.593 54.600 54.000 0.013 0.000 0.854 382 D CB 1.610 42.461 40.800 0.085 0.000 1.148 382 D HN 0.531 nan 8.370 nan 0.000 0.456 383 A N 1.524 124.331 122.820 -0.021 0.000 2.322 383 A HA 0.739 5.060 4.320 0.001 0.000 0.269 383 A C 0.543 178.110 177.584 -0.028 0.000 1.094 383 A CA 0.068 52.096 52.037 -0.015 0.000 0.807 383 A CB 1.043 20.045 19.000 0.003 0.000 1.047 383 A HN 0.651 nan 8.150 nan 0.000 0.487 384 G N -0.824 107.974 108.800 -0.002 0.000 2.342 384 G HA2 0.663 4.623 3.960 0.001 0.000 0.297 384 G HA3 0.663 4.623 3.960 0.001 0.000 0.297 384 G C -1.188 173.765 174.900 0.088 0.000 1.313 384 G CA 0.014 45.087 45.100 -0.044 0.000 0.830 384 G HN 1.934 nan 8.290 nan 0.000 0.506 385 F N -1.484 118.458 119.950 -0.012 0.000 2.703 385 F HA 0.819 5.347 4.527 0.001 0.000 0.308 385 F C -1.377 174.443 175.800 0.033 0.000 1.126 385 F CA -1.610 56.381 58.000 -0.015 0.000 0.959 385 F CB 0.878 39.839 39.000 -0.065 0.000 1.297 385 F HN 0.531 nan 8.300 nan 0.000 0.441 386 I N 1.944 122.682 120.570 0.280 0.000 2.607 386 I HA 0.604 4.775 4.170 0.001 0.000 0.305 386 I C -1.097 175.187 176.117 0.278 0.000 0.995 386 I CA -0.926 60.500 61.300 0.210 0.000 1.148 386 I CB 2.063 40.140 38.000 0.128 0.000 1.323 386 I HN 0.694 nan 8.210 nan 0.000 0.461 387 Q N 3.675 123.617 119.800 0.237 0.000 2.334 387 Q HA 0.235 4.576 4.340 0.001 0.000 0.249 387 Q C -1.476 174.627 176.000 0.172 0.000 0.909 387 Q CA -0.386 55.527 55.803 0.184 0.000 0.823 387 Q CB 0.889 29.723 28.738 0.159 0.000 1.353 387 Q HN 0.567 nan 8.270 nan 0.000 0.433 388 D N 3.633 124.120 120.400 0.145 0.000 2.723 388 D HA -0.170 4.471 4.640 0.001 0.000 0.236 388 D C 0.749 177.187 176.300 0.230 0.000 1.138 388 D CA 1.997 56.099 54.000 0.170 0.000 0.676 388 D CB -1.422 39.484 40.800 0.178 0.000 1.069 388 D HN 1.179 nan 8.370 nan 0.000 0.430 389 G N -0.514 108.399 108.800 0.188 0.000 2.189 389 G HA2 -0.395 3.566 3.960 0.001 0.000 0.267 389 G HA3 -0.395 3.566 3.960 0.001 0.000 0.267 389 G C 0.184 175.094 174.900 0.017 0.000 0.975 389 G CA 0.697 45.930 45.100 0.222 0.000 0.644 389 G HN 0.669 nan 8.290 nan 0.000 0.537 390 Q N 0.098 119.793 119.800 -0.175 0.000 2.325 390 Q HA 0.643 4.984 4.340 0.001 0.000 0.262 390 Q C 0.184 176.056 176.000 -0.212 0.000 0.968 390 Q CA -0.949 54.487 55.803 -0.612 0.000 0.877 390 Q CB 0.630 28.975 28.738 -0.655 0.000 1.253 390 Q HN 0.400 nan 8.270 nan 0.000 0.448 391 I N 3.381 123.759 120.570 -0.319 0.000 2.581 391 I HA 0.228 4.399 4.170 0.001 0.000 0.288 391 I C -0.621 175.235 176.117 -0.435 0.000 1.047 391 I CA 0.041 61.200 61.300 -0.235 0.000 1.374 391 I CB 0.494 38.349 38.000 -0.242 0.000 1.423 391 I HN 0.487 nan 8.210 nan 0.000 0.549 392 F N 4.320 123.919 119.950 -0.586 0.000 2.529 392 F HA 0.405 4.933 4.527 0.002 0.000 0.320 392 F C -0.097 175.325 175.800 -0.630 0.000 1.118 392 F CA -0.733 56.857 58.000 -0.682 0.000 0.915 392 F CB 1.577 39.862 39.000 -1.191 0.000 1.161 392 F HN 0.365 nan 8.300 nan 0.000 0.445 393 C N 3.393 122.483 119.300 -0.350 0.000 2.330 393 C HA 0.484 4.944 4.460 0.001 0.000 0.344 393 C C 0.107 175.011 174.990 -0.143 0.000 1.273 393 C CA -0.136 58.697 59.018 -0.309 0.000 1.879 393 C CB 0.215 27.750 27.740 -0.343 0.000 2.376 393 C HN 0.885 nan 8.230 nan 0.000 0.534 394 Q N 3.721 123.470 119.800 -0.085 0.000 2.333 394 Q HA 0.410 4.750 4.340 0.001 0.000 0.365 394 Q C 0.318 176.325 176.000 0.012 0.000 0.882 394 Q CA 0.290 56.092 55.803 -0.003 0.000 1.124 394 Q CB 0.942 29.720 28.738 0.066 0.000 1.345 394 Q HN 1.237 nan 8.270 nan 0.000 0.409 395 G N 0.985 109.790 108.800 0.008 0.000 2.592 395 G HA2 -0.147 3.814 3.960 0.001 0.000 0.684 395 G HA3 -0.147 3.814 3.960 0.001 0.000 0.684 395 G C -1.077 173.831 174.900 0.014 0.000 1.291 395 G CA -1.018 44.092 45.100 0.016 0.000 0.891 395 G HN 0.132 nan 8.290 nan 0.000 0.544 396 R N -0.666 119.840 120.500 0.011 0.000 2.668 396 R HA 0.651 4.992 4.340 0.001 0.000 0.279 396 R C 1.100 177.379 176.300 -0.035 0.000 0.976 396 R CA -0.771 55.328 56.100 -0.002 0.000 0.978 396 R CB 1.265 31.575 30.300 0.015 0.000 1.133 396 R HN 0.458 nan 8.270 nan 0.000 0.484 397 L N 0.211 121.395 121.223 -0.065 0.000 2.515 397 L HA 0.064 4.405 4.340 0.001 0.000 0.223 397 L C 0.674 177.424 176.870 -0.200 0.000 1.079 397 L CA 0.278 55.054 54.840 -0.106 0.000 0.857 397 L CB -0.107 41.895 42.059 -0.094 0.000 1.050 397 L HN 0.607 nan 8.230 nan 0.000 0.476 398 D N -0.786 119.495 120.400 -0.199 0.000 2.466 398 D HA 0.106 4.747 4.640 0.001 0.000 0.271 398 D C 0.338 176.427 176.300 -0.352 0.000 1.193 398 D CA -0.264 53.525 54.000 -0.353 0.000 1.103 398 D CB -0.084 40.611 40.800 -0.175 0.000 1.184 398 D HN -0.025 nan 8.370 nan 0.000 0.593 399 F N -0.874 119.093 119.950 0.028 0.000 2.708 399 F HA 0.223 4.751 4.527 0.000 0.000 0.300 399 F C 0.905 176.732 175.800 0.044 0.000 1.118 399 F CA -0.661 57.359 58.000 0.033 0.000 1.307 399 F CB 0.591 39.611 39.000 0.033 0.000 0.986 399 F HN 0.075 nan 8.300 nan 0.000 0.522 400 Q N 3.043 122.947 119.800 0.172 0.000 2.267 400 Q HA 0.503 4.844 4.340 0.001 0.000 0.255 400 Q C -0.399 175.675 176.000 0.123 0.000 0.923 400 Q CA -0.379 55.509 55.803 0.141 0.000 0.925 400 Q CB 1.424 30.227 28.738 0.109 0.000 1.195 400 Q HN 0.571 nan 8.270 nan 0.000 0.417 401 I N -0.407 120.236 120.570 0.122 0.000 3.206 401 I HA 0.642 4.812 4.170 0.001 0.000 0.313 401 I C -1.299 174.873 176.117 0.091 0.000 1.103 401 I CA -1.202 60.156 61.300 0.097 0.000 0.985 401 I CB 2.271 40.324 38.000 0.088 0.000 1.240 401 I HN 0.264 nan 8.210 nan 0.000 0.464 402 K N 2.993 123.433 120.400 0.066 0.000 2.413 402 K HA 0.540 4.861 4.320 0.001 0.000 0.257 402 K C -1.699 174.924 176.600 0.037 0.000 0.946 402 K CA -0.534 55.787 56.287 0.056 0.000 0.823 402 K CB 2.147 34.671 32.500 0.040 0.000 1.109 402 K HN 0.636 nan 8.250 nan 0.000 0.427 403 L N 3.843 125.097 121.223 0.051 0.000 2.345 403 L HA 0.339 4.680 4.340 0.001 0.000 0.274 403 L C -0.292 176.623 176.870 0.075 0.000 0.999 403 L CA 0.332 55.157 54.840 -0.026 0.000 0.849 403 L CB 0.020 42.062 42.059 -0.028 0.000 1.220 403 L HN 0.811 nan 8.230 nan 0.000 0.422 404 H N 4.075 123.204 119.070 0.099 0.000 2.770 404 H HA -0.168 4.388 4.556 0.001 0.000 0.309 404 H C 1.270 176.515 175.328 -0.138 0.000 1.206 404 H CA 0.644 56.726 56.048 0.057 0.000 1.147 404 H CB -1.098 28.775 29.762 0.186 0.000 1.422 404 H HN 1.198 nan 8.280 nan 0.000 0.420 405 G N -1.383 107.383 108.800 -0.057 0.000 2.225 405 G HA2 -0.364 3.597 3.960 0.001 0.000 0.254 405 G HA3 -0.364 3.597 3.960 0.001 0.000 0.254 405 G C -0.026 174.647 174.900 -0.378 0.000 0.988 405 G CA 0.395 45.349 45.100 -0.243 0.000 0.625 405 G HN 0.540 nan 8.290 nan 0.000 0.527 406 Y N 1.063 121.230 120.300 -0.222 0.000 2.336 406 Y HA 0.547 5.098 4.550 0.001 0.000 0.335 406 Y C 1.054 176.883 175.900 -0.119 0.000 1.046 406 Y CA -0.535 57.357 58.100 -0.346 0.000 1.198 406 Y CB 0.792 38.832 38.460 -0.699 0.000 1.182 406 Y HN 0.273 nan 8.280 nan 0.000 0.502 407 R N 5.856 126.430 120.500 0.123 0.000 2.340 407 R HA 0.573 4.914 4.340 0.001 0.000 0.300 407 R C -0.788 175.654 176.300 0.237 0.000 1.069 407 R CA -0.265 55.931 56.100 0.161 0.000 0.984 407 R CB 0.394 30.788 30.300 0.156 0.000 1.003 407 R HN 0.929 nan 8.270 nan 0.000 0.459 408 M N 1.195 120.917 119.600 0.204 0.000 2.603 408 M HA 0.419 4.900 4.480 0.001 0.000 0.275 408 M C -1.725 174.679 176.300 0.174 0.000 1.226 408 M CA -1.018 54.413 55.300 0.218 0.000 0.870 408 M CB 2.392 35.145 32.600 0.255 0.000 1.716 408 M HN 0.343 nan 8.290 nan 0.000 0.482 409 E N 2.467 122.768 120.200 0.168 0.000 2.113 409 E HA 0.377 4.728 4.350 0.001 0.000 0.273 409 E C 0.492 177.178 176.600 0.143 0.000 0.924 409 E CA -0.306 56.188 56.400 0.157 0.000 0.764 409 E CB 2.158 31.943 29.700 0.142 0.000 1.104 409 E HN 0.804 nan 8.360 nan 0.000 0.406 410 L N 1.836 123.136 121.223 0.129 0.000 2.079 410 L HA -0.227 4.114 4.340 0.001 0.000 0.210 410 L C 1.824 178.720 176.870 0.044 0.000 1.081 410 L CA 1.449 56.327 54.840 0.064 0.000 0.752 410 L CB -0.183 41.876 42.059 0.001 0.000 0.896 410 L HN 0.492 nan 8.230 nan 0.000 0.433 411 E N -0.356 119.882 120.200 0.063 0.000 2.268 411 E HA -0.234 4.117 4.350 0.001 0.000 0.195 411 E C 1.991 178.664 176.600 0.122 0.000 0.995 411 E CA 0.795 57.233 56.400 0.063 0.000 0.836 411 E CB 0.040 29.794 29.700 0.090 0.000 0.763 411 E HN 0.495 nan 8.360 nan 0.000 0.491 412 E N 0.946 121.234 120.200 0.146 0.000 2.112 412 E HA -0.117 4.234 4.350 0.001 0.000 0.190 412 E C 1.991 178.789 176.600 0.329 0.000 0.979 412 E CA 0.476 57.003 56.400 0.211 0.000 0.814 412 E CB 0.115 29.936 29.700 0.201 0.000 0.762 412 E HN 0.212 nan 8.360 nan 0.000 0.460 413 I N 1.052 121.758 120.570 0.226 0.000 2.315 413 I HA -0.219 3.952 4.170 0.001 0.000 0.248 413 I C 2.082 178.289 176.117 0.150 0.000 1.117 413 I CA 1.154 62.570 61.300 0.194 0.000 1.404 413 I CB -0.190 37.874 38.000 0.108 0.000 1.071 413 I HN 0.148 nan 8.210 nan 0.000 0.419 414 E N 0.442 120.703 120.200 0.102 0.000 2.106 414 E HA -0.229 4.122 4.350 0.001 0.000 0.192 414 E C 1.996 178.641 176.600 0.074 0.000 0.984 414 E CA 1.172 57.598 56.400 0.044 0.000 0.806 414 E CB -0.138 29.567 29.700 0.007 0.000 0.750 414 E HN 0.403 nan 8.360 nan 0.000 0.458 415 F N 1.426 121.365 119.950 -0.018 0.000 2.075 415 F HA -0.233 4.294 4.527 0.001 0.000 0.297 415 F C 2.286 178.022 175.800 -0.107 0.000 1.113 415 F CA 1.730 59.679 58.000 -0.084 0.000 1.218 415 F CB -0.166 38.743 39.000 -0.152 0.000 0.984 415 F HN 0.070 nan 8.300 nan 0.000 0.472 416 H N -0.598 118.531 119.070 0.099 0.000 2.387 416 H HA -0.101 4.456 4.556 0.001 0.000 0.299 416 H C 2.523 177.818 175.328 -0.055 0.000 1.090 416 H CA 1.855 57.904 56.048 0.002 0.000 1.332 416 H CB -0.595 29.237 29.762 0.116 0.000 1.386 416 H HN 0.240 nan 8.280 nan 0.000 0.516 417 V N 0.968 120.931 119.914 0.082 0.000 2.358 417 V HA -0.204 3.916 4.120 0.001 0.000 0.246 417 V C 2.584 178.668 176.094 -0.017 0.000 1.047 417 V CA 1.583 63.906 62.300 0.038 0.000 1.035 417 V CB -0.465 31.341 31.823 -0.029 0.000 0.658 417 V HN 0.292 nan 8.190 nan 0.000 0.452 418 R N -0.255 120.190 120.500 -0.092 0.000 2.237 418 R HA -0.146 4.195 4.340 0.001 0.000 0.219 418 R C 2.194 178.392 176.300 -0.170 0.000 1.080 418 R CA 0.915 56.941 56.100 -0.123 0.000 0.995 418 R CB 0.014 30.220 30.300 -0.156 0.000 0.875 418 R HN 0.492 nan 8.270 nan 0.000 0.462 419 Q N 0.070 119.732 119.800 -0.231 0.000 2.245 419 Q HA 0.014 4.355 4.340 0.001 0.000 0.201 419 Q C 0.794 176.742 176.000 -0.085 0.000 0.955 419 Q CA 0.416 56.088 55.803 -0.218 0.000 0.870 419 Q CB -0.148 28.428 28.738 -0.270 0.000 0.945 419 Q HN 0.082 nan 8.270 nan 0.000 0.461 420 S N 1.502 117.197 115.700 -0.009 0.000 2.552 420 S HA -0.082 4.389 4.470 0.001 0.000 0.289 420 S C 1.378 175.969 174.600 -0.014 0.000 1.304 420 S CA -0.090 58.144 58.200 0.056 0.000 1.063 420 S CB 0.641 63.955 63.200 0.190 0.000 0.848 420 S HN 0.383 nan 8.310 nan 0.000 0.499 421 Q N 3.474 123.186 119.800 -0.148 0.000 2.364 421 Q HA -0.160 4.181 4.340 0.001 0.000 0.209 421 Q C 0.234 176.052 176.000 -0.303 0.000 0.977 421 Q CA 1.730 57.355 55.803 -0.297 0.000 0.885 421 Q CB -0.404 28.050 28.738 -0.474 0.000 0.941 421 Q HN 0.951 nan 8.270 nan 0.000 0.464 422 Y N 0.107 120.445 120.300 0.063 0.000 2.493 422 Y HA 0.389 4.940 4.550 0.001 0.000 0.275 422 Y C 0.040 175.985 175.900 0.075 0.000 1.183 422 Y CA -0.605 57.543 58.100 0.079 0.000 1.258 422 Y CB 0.939 39.470 38.460 0.118 0.000 1.108 422 Y HN -0.115 nan 8.280 nan 0.000 0.521 423 V N 0.447 120.456 119.914 0.159 0.000 2.656 423 V HA 0.397 4.518 4.120 0.001 0.000 0.307 423 V C 0.299 176.424 176.094 0.052 0.000 1.051 423 V CA -0.829 61.541 62.300 0.116 0.000 0.893 423 V CB 2.292 34.172 31.823 0.096 0.000 0.999 423 V HN 0.059 nan 8.190 nan 0.000 0.426 424 R N 2.492 123.022 120.500 0.051 0.000 2.164 424 R HA 0.386 4.727 4.340 0.001 0.000 0.198 424 R C 0.357 176.665 176.300 0.013 0.000 1.028 424 R CA 0.765 56.882 56.100 0.027 0.000 1.083 424 R CB 0.505 30.827 30.300 0.038 0.000 1.026 424 R HN 0.703 nan 8.270 nan 0.000 0.514 425 S N -1.353 114.356 115.700 0.015 0.000 2.579 425 S HA 0.859 5.330 4.470 0.001 0.000 0.272 425 S C -1.762 172.824 174.600 -0.023 0.000 1.141 425 S CA -0.270 57.929 58.200 -0.002 0.000 0.843 425 S CB 2.082 65.288 63.200 0.011 0.000 1.122 425 S HN 0.373 nan 8.310 nan 0.000 0.468 426 A N 1.161 123.953 122.820 -0.046 0.000 2.540 426 A HA 0.755 5.075 4.320 0.001 0.000 0.297 426 A C -1.810 175.719 177.584 -0.091 0.000 1.056 426 A CA -0.552 51.431 52.037 -0.089 0.000 0.700 426 A CB 1.272 20.209 19.000 -0.105 0.000 1.280 426 A HN 0.675 nan 8.150 nan 0.000 0.398 427 V N 2.418 122.261 119.914 -0.119 0.000 2.569 427 V HA 0.422 4.543 4.120 0.001 0.000 0.301 427 V C -0.457 175.559 176.094 -0.130 0.000 1.044 427 V CA -0.606 61.625 62.300 -0.115 0.000 0.874 427 V CB 1.714 33.480 31.823 -0.096 0.000 1.002 427 V HN 0.769 nan 8.190 nan 0.000 0.424 428 V N 5.998 125.841 119.914 -0.119 0.000 2.432 428 V HA 0.459 4.580 4.120 0.001 0.000 0.275 428 V C -0.055 175.998 176.094 -0.069 0.000 1.043 428 V CA -0.380 61.861 62.300 -0.098 0.000 0.925 428 V CB 1.468 33.251 31.823 -0.066 0.000 0.985 428 V HN 0.569 nan 8.190 nan 0.000 0.466 429 I N 7.532 128.078 120.570 -0.040 0.000 2.354 429 I HA 0.438 4.609 4.170 0.001 0.000 0.292 429 I C -2.403 173.726 176.117 0.019 0.000 0.989 429 I CA -2.529 58.764 61.300 -0.011 0.000 1.188 429 I CB 2.063 40.067 38.000 0.007 0.000 1.342 429 I HN 0.407 nan 8.210 nan 0.000 0.457 430 P HA 0.158 nan 4.420 nan 0.000 0.297 430 P C -1.101 176.180 177.300 -0.033 0.000 1.319 430 P CA -0.475 62.624 63.100 -0.001 0.000 0.810 430 P CB 0.865 32.564 31.700 -0.002 0.000 0.947 431 Y N 4.677 124.819 120.300 -0.264 0.000 2.585 431 Y HA 0.146 4.696 4.550 0.001 0.000 0.354 431 Y C 0.445 176.174 175.900 -0.285 0.000 1.024 431 Y CA 0.254 58.133 58.100 -0.367 0.000 1.321 431 Y CB 0.429 38.375 38.460 -0.856 0.000 1.151 431 Y HN 0.343 nan 8.280 nan 0.000 0.525 432 Q N 7.197 126.657 119.800 -0.566 0.000 3.300 432 Q HA 0.293 4.634 4.340 0.001 0.000 0.271 432 Q C -2.447 173.285 176.000 -0.448 0.000 0.926 432 Q CA -1.813 53.733 55.803 -0.427 0.000 0.788 432 Q CB 1.086 29.703 28.738 -0.201 0.000 1.385 432 Q HN 0.390 nan 8.270 nan 0.000 0.424 433 P HA -0.233 nan 4.420 nan 0.000 0.216 433 P C 0.034 177.217 177.300 -0.195 0.000 1.153 433 P CA 1.502 64.364 63.100 -0.395 0.000 0.858 433 P CB 0.490 31.972 31.700 -0.363 0.000 0.789 434 N N -1.190 117.410 118.700 -0.167 0.000 2.636 434 N HA 0.248 4.989 4.740 0.001 0.000 0.268 434 N C 1.759 177.221 175.510 -0.079 0.000 1.372 434 N CA 0.530 53.526 53.050 -0.090 0.000 0.852 434 N CB -0.676 37.777 38.487 -0.058 0.000 1.335 434 N HN -0.141 nan 8.380 nan 0.000 0.386 435 G N -0.953 107.816 108.800 -0.051 0.000 2.456 435 G HA2 -0.015 3.946 3.960 0.001 0.000 0.213 435 G HA3 -0.015 3.946 3.960 0.001 0.000 0.213 435 G C 0.293 175.169 174.900 -0.041 0.000 1.215 435 G CA 1.345 46.424 45.100 -0.036 0.000 0.805 435 G HN 0.670 nan 8.290 nan 0.000 0.537 436 T N -0.943 113.589 114.554 -0.036 0.000 2.904 436 T HA 0.507 4.858 4.350 0.001 0.000 0.290 436 T C -0.056 174.611 174.700 -0.056 0.000 1.018 436 T CA -0.797 61.288 62.100 -0.027 0.000 1.075 436 T CB 1.915 70.786 68.868 0.004 0.000 0.986 436 T HN 0.068 nan 8.240 nan 0.000 0.523 437 V N 3.227 123.113 119.914 -0.047 0.000 2.555 437 V HA 0.161 4.282 4.120 0.001 0.000 0.286 437 V C 1.239 177.296 176.094 -0.062 0.000 1.044 437 V CA -0.000 62.254 62.300 -0.076 0.000 1.026 437 V CB 0.512 32.303 31.823 -0.053 0.000 0.981 437 V HN 1.052 nan 8.190 nan 0.000 0.480 438 E N 3.142 123.299 120.200 -0.071 0.000 2.201 438 E HA 0.177 4.528 4.350 0.001 0.000 0.193 438 E C -0.535 176.160 176.600 0.158 0.000 0.957 438 E CA 0.581 57.023 56.400 0.070 0.000 0.858 438 E CB 0.698 30.484 29.700 0.144 0.000 0.816 438 E HN 0.843 nan 8.360 nan 0.000 0.475 439 Y N -2.282 118.076 120.300 0.097 0.000 2.814 439 Y HA 0.450 5.001 4.550 0.001 0.000 0.348 439 Y C -1.792 174.160 175.900 0.087 0.000 1.245 439 Y CA -1.463 56.678 58.100 0.069 0.000 1.086 439 Y CB 0.629 39.147 38.460 0.097 0.000 1.373 439 Y HN -0.313 nan 8.280 nan 0.000 0.451 440 L N 2.620 124.053 121.223 0.350 0.000 2.334 440 L HA 0.713 5.054 4.340 0.001 0.000 0.276 440 L C -0.848 176.178 176.870 0.260 0.000 1.014 440 L CA -0.992 53.980 54.840 0.219 0.000 0.815 440 L CB 2.079 44.216 42.059 0.130 0.000 1.268 440 L HN 0.588 nan 8.230 nan 0.000 0.428 441 I N 1.921 122.584 120.570 0.155 0.000 2.436 441 I HA 0.513 4.684 4.170 0.001 0.000 0.289 441 I C -0.061 176.021 176.117 -0.059 0.000 1.010 441 I CA -0.508 60.847 61.300 0.092 0.000 1.098 441 I CB 2.053 40.122 38.000 0.115 0.000 1.266 441 I HN 0.628 nan 8.210 nan 0.000 0.434 442 A N 5.169 127.864 122.820 -0.208 0.000 2.260 442 A HA 0.794 5.115 4.320 0.001 0.000 0.308 442 A C 0.034 177.399 177.584 -0.364 0.000 1.254 442 A CA -0.493 51.303 52.037 -0.402 0.000 0.874 442 A CB 0.718 19.172 19.000 -0.910 0.000 1.153 442 A HN 0.794 nan 8.150 nan 0.000 0.527 443 A N 3.932 126.603 122.820 -0.249 0.000 2.294 443 A HA 0.635 4.955 4.320 0.001 0.000 0.316 443 A C -0.227 177.234 177.584 -0.205 0.000 1.359 443 A CA -0.195 51.726 52.037 -0.193 0.000 0.956 443 A CB -0.377 18.559 19.000 -0.107 0.000 1.155 443 A HN 0.743 nan 8.150 nan 0.000 0.544 444 I N 2.172 122.589 120.570 -0.255 0.000 2.603 444 I HA 0.372 4.543 4.170 0.001 0.000 0.300 444 I C -0.581 175.550 176.117 0.024 0.000 1.017 444 I CA -1.000 60.211 61.300 -0.149 0.000 1.098 444 I CB 2.319 40.189 38.000 -0.217 0.000 1.279 444 I HN 0.229 nan 8.210 nan 0.000 0.437 445 V N 7.064 127.011 119.914 0.055 0.000 2.313 445 V HA 0.301 4.421 4.120 0.001 0.000 0.278 445 V C -2.092 174.078 176.094 0.126 0.000 1.017 445 V CA -1.571 60.776 62.300 0.078 0.000 0.823 445 V CB 1.201 33.037 31.823 0.023 0.000 1.010 445 V HN 0.555 nan 8.190 nan 0.000 0.443 446 P HA 0.250 nan 4.420 nan 0.000 0.278 446 P C 0.421 177.811 177.300 0.150 0.000 1.238 446 P CA -0.176 63.037 63.100 0.188 0.000 0.794 446 P CB 1.875 33.669 31.700 0.156 0.000 0.955 447 E N 1.655 121.948 120.200 0.154 0.000 2.001 447 E HA -0.115 4.236 4.350 0.001 0.000 0.195 447 E C 0.322 177.000 176.600 0.129 0.000 1.002 447 E CA 1.479 57.949 56.400 0.115 0.000 0.819 447 E CB 0.081 29.834 29.700 0.089 0.000 0.769 447 E HN 0.657 nan 8.360 nan 0.000 0.454 448 E N -0.629 119.695 120.200 0.206 0.000 3.337 448 E HA 0.057 4.408 4.350 0.001 0.000 0.344 448 E C -1.325 175.402 176.600 0.212 0.000 1.073 448 E CA -0.246 56.246 56.400 0.155 0.000 0.873 448 E CB 0.414 30.140 29.700 0.043 0.000 1.231 448 E HN 0.337 nan 8.360 nan 0.000 0.474 449 H N 1.844 120.909 119.070 -0.009 0.000 2.942 449 H HA 0.487 5.043 4.556 0.001 0.000 0.316 449 H C -0.512 174.721 175.328 -0.157 0.000 1.323 449 H CA -0.870 55.126 56.048 -0.086 0.000 1.144 449 H CB 1.024 30.765 29.762 -0.035 0.000 1.866 449 H HN 0.420 nan 8.280 nan 0.000 0.545 450 E N -0.039 120.001 120.200 -0.267 0.000 2.526 450 E HA 0.200 4.550 4.350 0.001 0.000 0.208 450 E C -0.654 175.839 176.600 -0.177 0.000 0.997 450 E CA -0.376 55.876 56.400 -0.248 0.000 0.961 450 E CB 0.147 29.717 29.700 -0.218 0.000 1.030 450 E HN 0.213 nan 8.360 nan 0.000 0.483 451 F N 2.296 122.286 119.950 0.067 0.000 2.602 451 F HA -0.034 4.494 4.527 0.001 0.000 0.385 451 F C 1.779 177.544 175.800 -0.058 0.000 1.063 451 F CA 0.173 58.175 58.000 0.004 0.000 1.233 451 F CB 0.533 39.534 39.000 0.003 0.000 1.067 451 F HN -0.024 nan 8.300 nan 0.000 0.564 452 E N 2.449 122.696 120.200 0.079 0.000 2.106 452 E HA -0.096 4.255 4.350 0.001 0.000 0.192 452 E C 0.268 176.843 176.600 -0.041 0.000 0.984 452 E CA 1.193 57.590 56.400 -0.005 0.000 0.806 452 E CB 0.134 29.823 29.700 -0.019 0.000 0.750 452 E HN 0.584 nan 8.360 nan 0.000 0.458 453 K N -0.048 120.264 120.400 -0.147 0.000 2.328 453 K HA 0.202 4.523 4.320 0.001 0.000 0.246 453 K C 0.819 177.235 176.600 -0.307 0.000 0.955 453 K CA -0.369 55.783 56.287 -0.225 0.000 0.817 453 K CB 2.179 34.475 32.500 -0.340 0.000 1.208 453 K HN -0.161 nan 8.250 nan 0.000 0.432 454 E N 1.639 121.739 120.200 -0.165 0.000 2.031 454 E HA -0.217 4.134 4.350 0.001 0.000 0.193 454 E C 1.534 178.010 176.600 -0.208 0.000 0.994 454 E CA 1.810 58.112 56.400 -0.164 0.000 0.800 454 E CB -0.120 29.586 29.700 0.010 0.000 0.752 454 E HN 0.618 nan 8.360 nan 0.000 0.447 455 F N 1.254 121.146 119.950 -0.097 0.000 2.225 455 F HA -0.213 4.315 4.527 0.001 0.000 0.302 455 F C 1.870 177.525 175.800 -0.242 0.000 1.068 455 F CA 1.403 59.323 58.000 -0.134 0.000 1.327 455 F CB -0.700 38.242 39.000 -0.097 0.000 1.043 455 F HN 0.043 nan 8.300 nan 0.000 0.506 456 Q N 0.361 119.603 119.800 -0.930 0.000 2.083 456 Q HA -0.074 4.267 4.340 0.001 0.000 0.198 456 Q C 2.273 177.623 176.000 -1.083 0.000 0.969 456 Q CA 1.390 56.654 55.803 -0.897 0.000 0.838 456 Q CB -0.479 27.725 28.738 -0.891 0.000 0.900 456 Q HN 0.532 nan 8.270 nan 0.000 0.436 457 L N 0.792 121.369 121.223 -1.075 0.000 2.017 457 L HA -0.148 4.193 4.340 0.001 0.000 0.208 457 L C 2.115 178.644 176.870 -0.568 0.000 1.073 457 L CA 2.053 56.235 54.840 -1.097 0.000 0.745 457 L CB -0.937 40.644 42.059 -0.796 0.000 0.894 457 L HN 0.100 nan 8.230 nan 0.000 0.432 458 T N -0.671 113.714 114.554 -0.282 0.000 2.665 458 T HA -0.183 4.168 4.350 0.001 0.000 0.268 458 T C 1.961 176.432 174.700 -0.381 0.000 1.035 458 T CA 1.755 63.726 62.100 -0.214 0.000 1.151 458 T CB -0.392 68.376 68.868 -0.166 0.000 0.862 458 T HN 0.443 nan 8.240 nan 0.000 0.438 459 S N 1.309 116.812 115.700 -0.328 0.000 2.356 459 S HA -0.053 4.417 4.470 0.001 0.000 0.223 459 S C 2.595 177.029 174.600 -0.276 0.000 1.032 459 S CA 1.000 59.042 58.200 -0.263 0.000 1.005 459 S CB -0.627 62.473 63.200 -0.168 0.000 0.867 459 S HN 0.607 nan 8.310 nan 0.000 0.449 460 A N 1.500 124.069 122.820 -0.418 0.000 1.883 460 A HA -0.074 4.247 4.320 0.001 0.000 0.217 460 A C 2.105 179.592 177.584 -0.162 0.000 1.186 460 A CA 1.349 53.178 52.037 -0.346 0.000 0.624 460 A CB -0.763 17.827 19.000 -0.683 0.000 0.822 460 A HN 0.480 nan 8.150 nan 0.000 0.444 461 I N -0.672 119.805 120.570 -0.156 0.000 2.179 461 I HA -0.255 3.916 4.170 0.001 0.000 0.242 461 I C 2.449 178.594 176.117 0.046 0.000 1.088 461 I CA 1.548 62.888 61.300 0.067 0.000 1.357 461 I CB -0.287 37.855 38.000 0.237 0.000 1.051 461 I HN 0.280 nan 8.210 nan 0.000 0.409 462 K N 0.669 120.997 120.400 -0.120 0.000 2.209 462 K HA -0.214 4.107 4.320 0.001 0.000 0.204 462 K C 2.123 178.686 176.600 -0.061 0.000 1.048 462 K CA 1.098 57.307 56.287 -0.130 0.000 0.940 462 K CB -0.095 32.216 32.500 -0.315 0.000 0.729 462 K HN 0.201 nan 8.250 nan 0.000 0.451 463 K N 1.284 121.647 120.400 -0.062 0.000 2.217 463 K HA -0.142 4.178 4.320 0.001 0.000 0.202 463 K C 1.792 178.399 176.600 0.011 0.000 1.051 463 K CA 1.122 57.392 56.287 -0.030 0.000 0.952 463 K CB 0.215 32.694 32.500 -0.034 0.000 0.736 463 K HN 0.093 nan 8.250 nan 0.000 0.453 464 E N 0.385 120.611 120.200 0.043 0.000 2.033 464 E HA -0.079 4.272 4.350 0.001 0.000 0.189 464 E C 1.821 178.458 176.600 0.061 0.000 0.979 464 E CA 0.702 57.147 56.400 0.076 0.000 0.802 464 E CB 0.059 29.839 29.700 0.133 0.000 0.763 464 E HN 0.232 nan 8.360 nan 0.000 0.449 465 L N 0.511 121.777 121.223 0.072 0.000 2.261 465 L HA -0.177 4.164 4.340 0.001 0.000 0.216 465 L C 2.292 179.163 176.870 0.001 0.000 1.114 465 L CA 0.732 55.607 54.840 0.058 0.000 0.777 465 L CB -0.360 41.762 42.059 0.104 0.000 0.910 465 L HN 0.200 nan 8.230 nan 0.000 0.440 466 A N -0.389 122.429 122.820 -0.004 0.000 2.209 466 A HA 0.082 4.403 4.320 0.001 0.000 0.212 466 A C 2.332 179.898 177.584 -0.029 0.000 1.158 466 A CA 1.274 53.294 52.037 -0.028 0.000 0.742 466 A CB -0.320 18.666 19.000 -0.024 0.000 0.790 466 A HN 0.392 nan 8.150 nan 0.000 0.472 467 A N -0.404 122.408 122.820 -0.013 0.000 2.095 467 A HA 0.198 4.519 4.320 0.001 0.000 0.212 467 A C 2.134 179.704 177.584 -0.022 0.000 1.162 467 A CA 1.420 53.451 52.037 -0.010 0.000 0.753 467 A CB -0.195 18.811 19.000 0.011 0.000 0.840 467 A HN 0.807 nan 8.150 nan 0.000 0.468 468 S N -1.584 114.091 115.700 -0.042 0.000 2.524 468 S HA 0.474 4.945 4.470 0.001 0.000 0.222 468 S C 0.223 174.673 174.600 -0.251 0.000 1.040 468 S CA -0.316 57.828 58.200 -0.093 0.000 0.915 468 S CB -0.122 63.078 63.200 -0.000 0.000 0.831 468 S HN 0.223 nan 8.310 nan 0.000 0.492 469 L N 2.043 123.134 121.223 -0.221 0.000 2.362 469 L HA 0.601 4.942 4.340 0.001 0.000 0.271 469 L C -2.922 173.805 176.870 -0.239 0.000 1.002 469 L CA -2.659 52.026 54.840 -0.258 0.000 0.818 469 L CB 2.105 44.030 42.059 -0.223 0.000 1.298 469 L HN -0.097 nan 8.230 nan 0.000 0.420 470 P HA 0.046 nan 4.420 nan 0.000 0.269 470 P C 0.213 177.218 177.300 -0.493 0.000 1.209 470 P CA -0.014 62.792 63.100 -0.490 0.000 0.776 470 P CB 0.968 32.117 31.700 -0.917 0.000 0.876 471 A N 3.327 125.957 122.820 -0.316 0.000 1.958 471 A HA -0.255 4.066 4.320 0.001 0.000 0.221 471 A C 1.751 179.248 177.584 -0.145 0.000 1.178 471 A CA 2.159 54.095 52.037 -0.167 0.000 0.642 471 A CB -1.935 17.028 19.000 -0.061 0.000 0.816 471 A HN 0.763 nan 8.150 nan 0.000 0.453 472 Y N -2.594 117.635 120.300 -0.119 0.000 2.574 472 Y HA 0.185 4.736 4.550 0.001 0.000 0.294 472 Y C 1.787 177.643 175.900 -0.073 0.000 1.142 472 Y CA 0.892 58.892 58.100 -0.166 0.000 1.314 472 Y CB -0.643 37.482 38.460 -0.558 0.000 0.991 472 Y HN 0.220 nan 8.280 nan 0.000 0.555 473 M N 0.333 119.858 119.600 -0.125 0.000 2.465 473 M HA 0.222 4.702 4.480 0.001 0.000 0.249 473 M C -0.039 176.285 176.300 0.040 0.000 1.130 473 M CA 0.205 55.518 55.300 0.022 0.000 1.067 473 M CB 0.336 32.898 32.600 -0.063 0.000 1.394 473 M HN 0.090 nan 8.290 nan 0.000 0.483 474 I N 2.078 122.663 120.570 0.025 0.000 2.452 474 I HA 0.148 4.319 4.170 0.001 0.000 0.287 474 I C -2.167 174.051 176.117 0.169 0.000 1.079 474 I CA -1.945 59.416 61.300 0.101 0.000 1.387 474 I CB 0.253 38.296 38.000 0.072 0.000 1.404 474 I HN -0.233 nan 8.210 nan 0.000 0.522 475 P HA 0.023 nan 4.420 nan 0.000 0.264 475 P C 0.462 177.959 177.300 0.328 0.000 1.193 475 P CA -0.288 62.960 63.100 0.246 0.000 0.763 475 P CB 0.551 32.309 31.700 0.097 0.000 0.810 476 R N 3.569 124.194 120.500 0.207 0.000 2.115 476 R HA -0.043 4.298 4.340 0.001 0.000 0.230 476 R C 0.435 176.797 176.300 0.104 0.000 1.111 476 R CA 1.456 57.619 56.100 0.105 0.000 0.976 476 R CB 0.043 30.352 30.300 0.014 0.000 0.870 476 R HN 0.414 nan 8.270 nan 0.000 0.445 477 K N -0.113 120.396 120.400 0.181 0.000 2.270 477 K HA 0.242 4.563 4.320 0.001 0.000 0.255 477 K C -1.650 175.160 176.600 0.350 0.000 0.936 477 K CA -0.496 55.899 56.287 0.180 0.000 0.809 477 K CB 0.998 33.531 32.500 0.055 0.000 1.131 477 K HN -0.242 nan 8.250 nan 0.000 0.427 478 F N 4.967 124.856 119.950 -0.103 0.000 2.477 478 F HA 0.404 4.932 4.527 0.002 0.000 0.335 478 F C -0.256 175.350 175.800 -0.324 0.000 1.130 478 F CA -1.211 56.645 58.000 -0.239 0.000 0.948 478 F CB 1.155 40.010 39.000 -0.242 0.000 1.154 478 F HN 0.376 nan 8.300 nan 0.000 0.439 479 I N 0.974 121.369 120.570 -0.292 0.000 2.646 479 I HA 0.699 4.870 4.170 0.001 0.000 0.299 479 I C -1.712 174.145 176.117 -0.433 0.000 1.036 479 I CA -1.290 59.882 61.300 -0.213 0.000 1.074 479 I CB 1.595 39.556 38.000 -0.065 0.000 1.258 479 I HN 0.318 nan 8.210 nan 0.000 0.430 480 Y N 2.813 123.142 120.300 0.048 0.000 2.509 480 Y HA 0.770 5.321 4.550 0.001 0.000 0.341 480 Y C 0.118 176.034 175.900 0.025 0.000 1.038 480 Y CA -0.558 57.563 58.100 0.035 0.000 1.089 480 Y CB 1.798 40.290 38.460 0.053 0.000 1.241 480 Y HN 0.769 nan 8.280 nan 0.000 0.468 481 Q N -0.326 119.568 119.800 0.156 0.000 2.737 481 Q HA 0.386 4.727 4.340 0.001 0.000 0.307 481 Q C -1.195 174.813 176.000 0.013 0.000 0.905 481 Q CA -0.830 55.019 55.803 0.076 0.000 0.753 481 Q CB 1.703 30.469 28.738 0.046 0.000 1.463 481 Q HN 0.514 nan 8.270 nan 0.000 0.455 482 D N -0.414 119.949 120.400 -0.061 0.000 2.216 482 D HA 0.092 4.733 4.640 0.001 0.000 0.208 482 D C -0.077 175.873 176.300 -0.583 0.000 0.960 482 D CA 1.272 55.097 54.000 -0.291 0.000 0.861 482 D CB 0.374 41.007 40.800 -0.279 0.000 0.985 482 D HN 0.330 nan 8.370 nan 0.000 0.493 483 H N -0.464 118.631 119.070 0.040 0.000 2.930 483 H HA 0.276 4.833 4.556 0.001 0.000 0.371 483 H C -0.279 175.060 175.328 0.019 0.000 1.169 483 H CA -0.695 55.370 56.048 0.029 0.000 1.157 483 H CB 2.095 31.872 29.762 0.025 0.000 1.789 483 H HN -0.158 nan 8.280 nan 0.000 0.547 484 I N 2.952 123.606 120.570 0.141 0.000 2.337 484 I HA 0.046 4.217 4.170 0.001 0.000 0.291 484 I C 0.341 176.496 176.117 0.063 0.000 1.046 484 I CA -0.487 60.855 61.300 0.069 0.000 1.324 484 I CB 0.517 38.541 38.000 0.039 0.000 1.409 484 I HN 0.448 nan 8.210 nan 0.000 0.494 485 Q N 5.385 125.213 119.800 0.047 0.000 2.300 485 Q HA 0.227 4.568 4.340 0.001 0.000 0.280 485 Q C -0.431 175.583 176.000 0.022 0.000 1.033 485 Q CA 0.611 56.434 55.803 0.034 0.000 0.903 485 Q CB 0.541 29.295 28.738 0.027 0.000 1.195 485 Q HN 0.423 nan 8.270 nan 0.000 0.386 486 M N 0.999 120.611 119.600 0.019 0.000 2.602 486 M HA 0.403 4.884 4.480 0.001 0.000 0.312 486 M C -0.242 176.068 176.300 0.016 0.000 1.181 486 M CA -0.437 54.873 55.300 0.017 0.000 0.910 486 M CB 2.298 34.907 32.600 0.016 0.000 1.723 486 M HN 0.776 nan 8.290 nan 0.000 0.459 487 T N -0.786 113.780 114.554 0.019 0.000 2.814 487 T HA 0.681 5.032 4.350 0.001 0.000 0.284 487 T C 1.172 175.881 174.700 0.016 0.000 0.998 487 T CA -0.229 61.882 62.100 0.019 0.000 0.935 487 T CB 0.516 69.399 68.868 0.026 0.000 1.167 487 T HN 0.661 nan 8.240 nan 0.000 0.545 488 A N 1.526 124.355 122.820 0.015 0.000 1.859 488 A HA -0.174 4.147 4.320 0.001 0.000 0.217 488 A C 2.282 179.875 177.584 0.014 0.000 1.198 488 A CA 1.851 53.895 52.037 0.012 0.000 0.629 488 A CB -1.448 17.558 19.000 0.011 0.000 0.830 488 A HN 0.904 nan 8.150 nan 0.000 0.446 489 N N -0.536 118.175 118.700 0.018 0.000 2.247 489 N HA -0.141 4.600 4.740 0.001 0.000 0.189 489 N C 1.311 176.835 175.510 0.022 0.000 1.009 489 N CA 1.823 54.885 53.050 0.021 0.000 0.872 489 N CB -0.371 38.132 38.487 0.026 0.000 0.980 489 N HN 0.968 nan 8.380 nan 0.000 0.436 490 G N -0.438 108.375 108.800 0.022 0.000 2.184 490 G HA2 -0.201 3.760 3.960 0.001 0.000 0.206 490 G HA3 -0.201 3.760 3.960 0.001 0.000 0.206 490 G C 0.074 174.991 174.900 0.028 0.000 0.995 490 G CA -0.251 44.862 45.100 0.022 0.000 0.651 490 G HN 0.145 nan 8.290 nan 0.000 0.511 491 K N 0.308 120.729 120.400 0.034 0.000 2.138 491 K HA 0.502 4.823 4.320 0.001 0.000 0.251 491 K C 1.014 177.633 176.600 0.031 0.000 1.015 491 K CA -0.556 55.757 56.287 0.043 0.000 0.917 491 K CB 0.751 33.288 32.500 0.062 0.000 1.021 491 K HN 0.308 nan 8.250 nan 0.000 0.485 492 I N 1.599 122.182 120.570 0.023 0.000 2.556 492 I HA -0.090 4.080 4.170 0.001 0.000 0.284 492 I C 0.843 176.963 176.117 0.005 0.000 1.114 492 I CA 0.112 61.411 61.300 -0.001 0.000 1.418 492 I CB 0.311 38.286 38.000 -0.043 0.000 1.394 492 I HN 0.299 nan 8.210 nan 0.000 0.552 493 D N 6.985 127.389 120.400 0.007 0.000 2.608 493 D HA 0.074 4.715 4.640 0.001 0.000 0.224 493 D C 1.383 177.686 176.300 0.004 0.000 1.123 493 D CA 0.058 54.066 54.000 0.014 0.000 1.030 493 D CB 0.284 41.093 40.800 0.016 0.000 1.093 493 D HN 0.408 nan 8.370 nan 0.000 0.497 494 R N 1.138 121.636 120.500 -0.003 0.000 2.105 494 R HA -0.200 4.141 4.340 0.001 0.000 0.239 494 R C 1.812 178.117 176.300 0.007 0.000 1.135 494 R CA 1.140 57.229 56.100 -0.019 0.000 0.967 494 R CB 0.110 30.389 30.300 -0.036 0.000 0.861 494 R HN 0.074 nan 8.270 nan 0.000 0.442 495 K N 1.195 121.611 120.400 0.026 0.000 2.026 495 K HA -0.158 4.163 4.320 0.001 0.000 0.208 495 K C 1.992 178.603 176.600 0.018 0.000 1.048 495 K CA 1.593 57.895 56.287 0.025 0.000 0.929 495 K CB -0.150 32.368 32.500 0.030 0.000 0.713 495 K HN -0.004 nan 8.250 nan 0.000 0.439 496 R N -0.059 120.451 120.500 0.016 0.000 2.090 496 R HA 0.047 4.388 4.340 0.001 0.000 0.228 496 R C 2.225 178.531 176.300 0.010 0.000 1.110 496 R CA 1.413 57.521 56.100 0.013 0.000 0.973 496 R CB -0.232 30.077 30.300 0.014 0.000 0.869 496 R HN 0.246 nan 8.270 nan 0.000 0.440 497 I N 0.132 120.705 120.570 0.005 0.000 2.286 497 I HA -0.153 4.018 4.170 0.001 0.000 0.248 497 I C 2.404 178.523 176.117 0.004 0.000 1.115 497 I CA 1.337 62.637 61.300 -0.000 0.000 1.392 497 I CB -0.561 37.430 38.000 -0.015 0.000 1.065 497 I HN 0.403 nan 8.210 nan 0.000 0.418 498 G N 0.682 109.488 108.800 0.009 0.000 2.446 498 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 498 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 498 G C 1.483 176.404 174.900 0.034 0.000 1.168 498 G CA 0.643 45.758 45.100 0.025 0.000 0.771 498 G HN 0.435 nan 8.290 nan 0.000 0.551 499 E N 0.202 120.416 120.200 0.023 0.000 2.118 499 E HA -0.149 4.202 4.350 0.001 0.000 0.195 499 E C 2.295 178.900 176.600 0.007 0.000 0.992 499 E CA 0.968 57.380 56.400 0.019 0.000 0.804 499 E CB -0.165 29.541 29.700 0.010 0.000 0.741 499 E HN 0.630 nan 8.360 nan 0.000 0.458 500 E N 1.284 121.487 120.200 0.005 0.000 2.031 500 E HA -0.176 4.175 4.350 0.001 0.000 0.193 500 E C 2.250 178.843 176.600 -0.012 0.000 0.994 500 E CA 1.192 57.589 56.400 -0.005 0.000 0.800 500 E CB 0.053 29.755 29.700 0.004 0.000 0.752 500 E HN 0.085 nan 8.360 nan 0.000 0.447 501 V N 1.705 121.621 119.914 0.004 0.000 2.392 501 V HA -0.263 3.858 4.120 0.001 0.000 0.249 501 V C 2.534 178.643 176.094 0.025 0.000 1.059 501 V CA 1.480 63.786 62.300 0.010 0.000 1.051 501 V CB -0.407 31.429 31.823 0.022 0.000 0.658 501 V HN 0.337 nan 8.190 nan 0.000 0.455 502 L N -1.015 120.240 121.223 0.052 0.000 2.179 502 L HA -0.059 4.282 4.340 0.001 0.000 0.208 502 L C 2.391 179.325 176.870 0.107 0.000 1.096 502 L CA 0.656 55.561 54.840 0.107 0.000 0.779 502 L CB -0.464 41.689 42.059 0.157 0.000 0.922 502 L HN 0.211 nan 8.230 nan 0.000 0.443 503 V N 0.061 119.958 119.914 -0.029 0.000 2.307 503 V HA -0.234 3.887 4.120 0.001 0.000 0.245 503 V C 2.506 178.380 176.094 -0.367 0.000 1.045 503 V CA 1.606 63.801 62.300 -0.175 0.000 1.024 503 V CB -0.566 31.153 31.823 -0.173 0.000 0.651 503 V HN 0.414 nan 8.190 nan 0.000 0.449 504 R N -0.182 120.148 120.500 -0.283 0.000 2.241 504 R HA -0.125 4.216 4.340 0.001 0.000 0.224 504 R C 2.538 178.727 176.300 -0.185 0.000 1.101 504 R CA 1.264 57.185 56.100 -0.298 0.000 0.995 504 R CB -0.427 29.819 30.300 -0.090 0.000 0.870 504 R HN 0.448 nan 8.270 nan 0.000 0.463 505 S N -0.120 115.534 115.700 -0.077 0.000 2.419 505 S HA -0.117 4.354 4.470 0.001 0.000 0.233 505 S C 1.362 175.853 174.600 -0.182 0.000 1.016 505 S CA 0.886 59.050 58.200 -0.061 0.000 0.974 505 S CB -0.072 63.116 63.200 -0.020 0.000 0.786 505 S HN 0.483 nan 8.310 nan 0.000 0.492 506 H N -0.707 118.221 119.070 -0.237 0.000 2.539 506 H HA 0.162 4.720 4.556 0.003 0.000 0.269 506 H C -0.204 174.915 175.328 -0.349 0.000 0.980 506 H CA 0.151 56.067 56.048 -0.221 0.000 1.152 506 H CB 0.039 29.776 29.762 -0.042 0.000 1.407 506 H HN 0.548 nan 8.280 nan 0.000 0.564 507 H N 1.303 120.145 119.070 -0.380 0.000 2.597 507 H HA 0.214 4.770 4.556 0.000 0.000 0.303 507 H C 0.050 175.133 175.328 -0.407 0.000 1.057 507 H CA -0.569 55.289 56.048 -0.317 0.000 1.261 507 H CB 0.850 30.552 29.762 -0.100 0.000 1.397 507 H HN 0.286 nan 8.280 nan 0.000 0.461 508 H N 0.000 119.158 119.070 0.147 0.000 2.539 508 H HA 0.000 4.557 4.556 0.002 0.000 0.296 508 H CA 0.000 56.097 56.048 0.081 0.000 1.023 508 H CB 0.000 29.791 29.762 0.049 0.000 1.292 508 H HN 0.000 nan 8.280 nan 0.000 0.496