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 2c0u_1_B DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTXE SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE XPVILCDSPS LQEKFLKPFI SGEGEPLASL XHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAXSAALVG AXAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEXAXQTKIY TTDVAVECVI DAXKAVGXKS YAKDXSFPRL LNEVXCYPLF DATA SEQUENCE DGGNIGLRRR QXQRVXALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.017 176.094 -0.128 0.000 1.182 2 V CA 0.000 62.231 62.300 -0.114 0.000 1.235 2 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 3 D N 3.106 123.324 120.400 -0.304 0.000 2.966 3 D HA 0.606 5.246 4.640 -0.000 0.000 0.222 3 D C -0.572 175.527 176.300 -0.335 0.000 1.292 3 D CA -0.325 53.566 54.000 -0.182 0.000 0.907 3 D CB 1.582 42.330 40.800 -0.086 0.000 1.621 3 D HN 0.230 nan 8.370 nan 0.000 0.557 4 F N 1.445 121.449 119.950 0.090 0.000 2.654 4 F HA 0.326 4.853 4.527 -0.000 0.000 0.303 4 F C 1.108 176.995 175.800 0.145 0.000 1.099 4 F CA -0.490 57.610 58.000 0.167 0.000 1.270 4 F CB 0.417 39.527 39.000 0.183 0.000 1.024 4 F HN 0.025 nan 8.300 nan 0.000 0.548 5 K N 2.267 122.781 120.400 0.189 0.000 2.383 5 K HA 0.235 4.555 4.320 -0.000 0.000 0.286 5 K C -0.176 176.455 176.600 0.051 0.000 1.051 5 K CA 0.093 56.453 56.287 0.121 0.000 0.974 5 K CB 0.579 33.125 32.500 0.076 0.000 0.968 5 K HN 0.247 nan 8.250 nan 0.000 0.475 6 L N 3.099 124.352 121.223 0.050 0.000 2.331 6 L HA 0.067 4.407 4.340 -0.000 0.000 0.278 6 L C 1.147 177.995 176.870 -0.037 0.000 1.106 6 L CA -0.200 54.617 54.840 -0.038 0.000 0.824 6 L CB 0.970 43.019 42.059 -0.017 0.000 1.142 6 L HN 0.686 nan 8.230 nan 0.000 0.443 7 S N 2.966 118.622 115.700 -0.074 0.000 2.608 7 S HA 0.235 4.705 4.470 -0.000 0.000 0.261 7 S C -1.880 172.709 174.600 -0.019 0.000 1.314 7 S CA -1.072 57.108 58.200 -0.034 0.000 0.992 7 S CB 0.907 64.092 63.200 -0.025 0.000 0.935 7 S HN 0.413 nan 8.310 nan 0.000 0.564 8 P HA -0.098 nan 4.420 nan 0.000 0.216 8 P C 1.820 179.140 177.300 0.033 0.000 1.150 8 P CA 1.679 64.792 63.100 0.022 0.000 0.837 8 P CB -0.192 31.523 31.700 0.026 0.000 0.786 9 S N -0.814 114.919 115.700 0.055 0.000 2.383 9 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 9 S C 1.994 176.651 174.600 0.095 0.000 1.026 9 S CA 0.979 59.247 58.200 0.114 0.000 0.981 9 S CB -1.252 62.066 63.200 0.196 0.000 0.818 9 S HN 0.220 nan 8.310 nan 0.000 0.472 10 Q N 1.092 120.837 119.800 -0.092 0.000 2.046 10 Q HA 0.123 4.463 4.340 -0.000 0.000 0.200 10 Q C 2.330 178.262 176.000 -0.113 0.000 0.975 10 Q CA 1.392 56.985 55.803 -0.349 0.000 0.836 10 Q CB -0.517 27.913 28.738 -0.512 0.000 0.896 10 Q HN 0.507 nan 8.270 nan 0.000 0.428 11 L N 0.778 121.974 121.223 -0.045 0.000 2.083 11 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 11 L C 2.537 179.436 176.870 0.049 0.000 1.083 11 L CA 0.850 55.699 54.840 0.016 0.000 0.752 11 L CB -0.348 41.728 42.059 0.028 0.000 0.899 11 L HN 0.242 nan 8.230 nan 0.000 0.433 12 E N 0.366 120.600 120.200 0.056 0.000 2.152 12 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 12 E C 2.195 178.868 176.600 0.122 0.000 0.983 12 E CA 1.179 57.633 56.400 0.089 0.000 0.818 12 E CB 0.131 29.881 29.700 0.083 0.000 0.758 12 E HN 0.435 nan 8.360 nan 0.000 0.467 13 A N 1.206 124.086 122.820 0.101 0.000 1.898 13 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 13 A C 2.255 179.923 177.584 0.140 0.000 1.181 13 A CA 1.587 53.691 52.037 0.112 0.000 0.620 13 A CB -0.467 18.600 19.000 0.111 0.000 0.819 13 A HN 0.175 nan 8.150 nan 0.000 0.442 14 R N -0.511 120.055 120.500 0.110 0.000 2.073 14 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 14 R C 2.474 178.864 176.300 0.150 0.000 1.134 14 R CA 1.559 57.736 56.100 0.128 0.000 0.952 14 R CB -0.345 30.020 30.300 0.108 0.000 0.850 14 R HN 0.511 nan 8.270 nan 0.000 0.433 15 R N -0.321 120.262 120.500 0.137 0.000 2.096 15 R HA -0.232 4.108 4.340 -0.000 0.000 0.240 15 R C 2.424 178.823 176.300 0.166 0.000 1.139 15 R CA 2.072 58.250 56.100 0.131 0.000 0.952 15 R CB -0.695 29.672 30.300 0.112 0.000 0.854 15 R HN 0.464 nan 8.270 nan 0.000 0.436 16 H N 0.261 119.395 119.070 0.107 0.000 2.319 16 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 16 H C 1.675 177.102 175.328 0.165 0.000 1.092 16 H CA 2.071 58.199 56.048 0.134 0.000 1.302 16 H CB -0.137 29.693 29.762 0.114 0.000 1.373 16 H HN 0.372 nan 8.280 nan 0.000 0.497 17 A N 0.877 123.924 122.820 0.379 0.000 1.902 17 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 17 A C 2.526 180.258 177.584 0.246 0.000 1.181 17 A CA 1.609 53.843 52.037 0.330 0.000 0.623 17 A CB -0.640 18.510 19.000 0.249 0.000 0.818 17 A HN 0.575 nan 8.150 nan 0.000 0.443 18 Q N -0.689 119.217 119.800 0.176 0.000 2.061 18 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 18 Q C 2.464 178.514 176.000 0.085 0.000 0.984 18 Q CA 1.562 57.437 55.803 0.120 0.000 0.846 18 Q CB -0.406 28.392 28.738 0.100 0.000 0.902 18 Q HN 0.693 nan 8.270 nan 0.000 0.421 19 A N 0.483 123.349 122.820 0.077 0.000 1.877 19 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 19 A C 1.875 179.473 177.584 0.023 0.000 1.186 19 A CA 1.381 53.440 52.037 0.036 0.000 0.620 19 A CB -0.900 18.109 19.000 0.015 0.000 0.822 19 A HN 0.481 nan 8.150 nan 0.000 0.443 20 F N 1.066 120.947 119.950 -0.115 0.000 2.095 20 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 20 F C 2.529 178.272 175.800 -0.095 0.000 1.104 20 F CA 1.290 59.173 58.000 -0.195 0.000 1.232 20 F CB -0.601 38.260 39.000 -0.233 0.000 0.987 20 F HN 0.253 nan 8.300 nan 0.000 0.475 21 A N 0.409 123.191 122.820 -0.064 0.000 1.883 21 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 21 A C 2.016 179.503 177.584 -0.161 0.000 1.186 21 A CA 2.204 54.164 52.037 -0.128 0.000 0.624 21 A CB -1.278 17.743 19.000 0.035 0.000 0.822 21 A HN 0.642 nan 8.150 nan 0.000 0.444 22 N N -1.255 117.391 118.700 -0.089 0.000 2.270 22 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 22 N C 1.398 176.853 175.510 -0.091 0.000 1.016 22 N CA 1.492 54.500 53.050 -0.071 0.000 0.870 22 N CB -0.074 38.397 38.487 -0.027 0.000 0.979 22 N HN 0.471 nan 8.380 nan 0.000 0.431 23 T N -0.550 113.931 114.554 -0.121 0.000 3.031 23 T HA 0.078 4.428 4.350 -0.000 0.000 0.254 23 T C 1.927 176.542 174.700 -0.142 0.000 1.060 23 T CA 0.448 62.489 62.100 -0.100 0.000 1.135 23 T CB 0.301 69.137 68.868 -0.052 0.000 0.896 23 T HN -0.031 nan 8.240 nan 0.000 0.472 24 V N 0.824 120.546 119.914 -0.321 0.000 2.735 24 V HA 0.207 4.327 4.120 -0.000 0.000 0.234 24 V C 2.328 178.296 176.094 -0.211 0.000 1.121 24 V CA 0.367 62.481 62.300 -0.309 0.000 1.160 24 V CB -0.694 30.688 31.823 -0.736 0.000 0.908 24 V HN 0.277 nan 8.190 nan 0.000 0.495 25 L N 1.435 122.403 121.223 -0.425 0.000 2.081 25 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 25 L C 2.767 179.497 176.870 -0.232 0.000 1.080 25 L CA 2.242 56.904 54.840 -0.297 0.000 0.754 25 L CB -1.238 40.671 42.059 -0.249 0.000 0.893 25 L HN 0.650 nan 8.230 nan 0.000 0.433 26 T N -2.966 111.484 114.554 -0.173 0.000 2.897 26 T HA -0.198 4.152 4.350 -0.000 0.000 0.271 26 T C 1.598 176.221 174.700 -0.128 0.000 1.084 26 T CA 1.053 63.075 62.100 -0.129 0.000 1.123 26 T CB -0.234 68.578 68.868 -0.092 0.000 0.865 26 T HN 0.376 nan 8.240 nan 0.000 0.496 27 K N 0.819 121.162 120.400 -0.094 0.000 2.426 27 K HA 0.466 4.786 4.320 -0.000 0.000 0.193 27 K C 2.535 179.037 176.600 -0.163 0.000 1.028 27 K CA 0.406 56.683 56.287 -0.017 0.000 1.047 27 K CB -0.033 32.571 32.500 0.173 0.000 0.821 27 K HN 0.410 nan 8.250 nan 0.000 0.513 28 A N 1.265 123.720 122.820 -0.608 0.000 1.877 28 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 28 A C 2.257 179.467 177.584 -0.623 0.000 1.186 28 A CA 1.944 53.328 52.037 -1.087 0.000 0.620 28 A CB -0.733 17.721 19.000 -0.910 0.000 0.822 28 A HN 0.252 nan 8.150 nan 0.000 0.443 29 S N -0.133 115.217 115.700 -0.583 0.000 2.372 29 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 29 S C 2.103 176.259 174.600 -0.739 0.000 1.044 29 S CA 1.863 59.493 58.200 -0.949 0.000 1.050 29 S CB -0.529 62.409 63.200 -0.437 0.000 0.901 29 S HN 0.938 nan 8.310 nan 0.000 0.447 30 A N 0.703 123.299 122.820 -0.374 0.000 2.125 30 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 30 A C 2.045 179.530 177.584 -0.165 0.000 1.156 30 A CA 1.433 53.340 52.037 -0.216 0.000 0.671 30 A CB -0.323 18.611 19.000 -0.109 0.000 0.794 30 A HN 0.593 nan 8.150 nan 0.000 0.459 31 E N -0.973 119.123 120.200 -0.173 0.000 2.079 31 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 31 E C 1.856 178.460 176.600 0.006 0.000 0.961 31 E CA 1.430 57.829 56.400 -0.002 0.000 0.823 31 E CB -0.664 29.180 29.700 0.240 0.000 0.789 31 E HN 0.941 nan 8.360 nan 0.000 0.459 32 Y N 0.159 120.473 120.300 0.023 0.000 2.516 32 Y HA 0.233 4.783 4.550 -0.000 0.000 0.291 32 Y C 2.085 177.994 175.900 0.016 0.000 1.131 32 Y CA 0.598 58.715 58.100 0.029 0.000 1.281 32 Y CB -0.317 38.160 38.460 0.028 0.000 1.013 32 Y HN -0.214 nan 8.280 nan 0.000 0.554 33 S N 0.519 116.103 115.700 -0.194 0.000 2.442 33 S HA -0.165 4.305 4.470 -0.000 0.000 0.236 33 S C 1.906 176.508 174.600 0.003 0.000 1.007 33 S CA 1.674 59.834 58.200 -0.067 0.000 0.965 33 S CB -0.655 62.423 63.200 -0.202 0.000 0.773 33 S HN 0.805 nan 8.310 nan 0.000 0.504 34 T N -0.834 113.720 114.554 0.001 0.000 3.100 34 T HA 0.125 4.475 4.350 -0.000 0.000 0.253 34 T C 0.561 175.288 174.700 0.045 0.000 1.118 34 T CA 0.004 62.113 62.100 0.016 0.000 1.058 34 T CB -0.001 68.870 68.868 0.005 0.000 0.953 34 T HN 0.061 nan 8.240 nan 0.000 0.515 35 Q N 1.967 121.816 119.800 0.081 0.000 2.299 35 Q HA 0.348 4.688 4.340 -0.000 0.000 0.246 35 Q C 0.671 176.718 176.000 0.079 0.000 0.935 35 Q CA -0.192 55.663 55.803 0.087 0.000 0.887 35 Q CB 1.643 30.453 28.738 0.120 0.000 1.223 35 Q HN 0.557 nan 8.270 nan 0.000 0.439 36 K N -0.578 119.860 120.400 0.063 0.000 2.404 36 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 36 K C -0.593 176.041 176.600 0.057 0.000 1.023 36 K CA 0.311 56.630 56.287 0.053 0.000 1.094 36 K CB 0.269 32.793 32.500 0.040 0.000 0.841 36 K HN 0.554 nan 8.250 nan 0.000 0.523 37 D N -2.405 118.037 120.400 0.069 0.000 2.583 37 D HA 0.087 4.727 4.640 -0.000 0.000 0.248 37 D C 0.421 176.772 176.300 0.084 0.000 1.209 37 D CA -0.912 53.129 54.000 0.069 0.000 0.848 37 D CB 1.027 41.865 40.800 0.064 0.000 1.431 37 D HN -0.155 nan 8.370 nan 0.000 0.436 38 Q N 0.003 119.850 119.800 0.078 0.000 2.029 38 Q HA -0.164 4.176 4.340 -0.000 0.000 0.209 38 Q C 1.737 177.815 176.000 0.131 0.000 0.999 38 Q CA 2.101 57.956 55.803 0.086 0.000 0.857 38 Q CB -0.522 28.255 28.738 0.064 0.000 0.926 38 Q HN 0.625 nan 8.270 nan 0.000 0.415 39 L N -0.201 121.099 121.223 0.128 0.000 1.989 39 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 39 L C 2.149 179.118 176.870 0.165 0.000 1.071 39 L CA 2.410 57.337 54.840 0.145 0.000 0.749 39 L CB -1.051 41.034 42.059 0.043 0.000 0.890 39 L HN 0.200 nan 8.230 nan 0.000 0.431 40 S N -0.452 115.315 115.700 0.112 0.000 2.370 40 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 40 S C 2.001 176.685 174.600 0.139 0.000 1.033 40 S CA 1.534 59.795 58.200 0.101 0.000 1.011 40 S CB -0.379 62.870 63.200 0.082 0.000 0.852 40 S HN 0.464 nan 8.310 nan 0.000 0.457 41 R N -0.330 120.267 120.500 0.162 0.000 2.092 41 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 41 R C 2.107 178.534 176.300 0.212 0.000 1.119 41 R CA 1.269 57.481 56.100 0.187 0.000 0.970 41 R CB -0.399 29.978 30.300 0.129 0.000 0.864 41 R HN 0.445 nan 8.270 nan 0.000 0.440 42 F N 2.187 122.187 119.950 0.083 0.000 2.113 42 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 42 F C 2.055 178.027 175.800 0.287 0.000 1.103 42 F CA 1.512 59.588 58.000 0.127 0.000 1.248 42 F CB -0.294 38.743 39.000 0.062 0.000 0.999 42 F HN -0.077 nan 8.300 nan 0.000 0.475 43 Q N 0.122 119.945 119.800 0.039 0.000 2.124 43 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 43 Q C 2.365 178.350 176.000 -0.024 0.000 0.977 43 Q CA 1.423 57.210 55.803 -0.026 0.000 0.850 43 Q CB -0.514 28.246 28.738 0.036 0.000 0.901 43 Q HN 0.531 nan 8.270 nan 0.000 0.429 44 A N 0.829 123.699 122.820 0.083 0.000 2.125 44 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 44 A C 2.132 179.873 177.584 0.261 0.000 1.156 44 A CA 1.639 53.765 52.037 0.147 0.000 0.671 44 A CB -0.599 18.527 19.000 0.209 0.000 0.794 44 A HN 0.496 nan 8.150 nan 0.000 0.459 45 T N -3.515 111.187 114.554 0.246 0.000 3.129 45 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 45 T C 1.689 176.575 174.700 0.310 0.000 1.117 45 T CA 0.590 62.936 62.100 0.410 0.000 1.034 45 T CB -0.212 68.844 68.868 0.313 0.000 0.968 45 T HN 0.494 nan 8.240 nan 0.000 0.526 46 R N 1.973 122.406 120.500 -0.112 0.000 2.083 46 R HA -0.029 4.311 4.340 -0.000 0.000 0.237 46 R C -0.998 175.126 176.300 -0.293 0.000 1.137 46 R CA 1.533 57.215 56.100 -0.696 0.000 0.951 46 R CB -1.168 28.374 30.300 -1.263 0.000 0.851 46 R HN 0.333 nan 8.270 nan 0.000 0.434 47 P HA -0.070 nan 4.420 nan 0.000 0.242 47 P C -0.178 176.834 177.300 -0.479 0.000 1.198 47 P CA 1.112 64.000 63.100 -0.352 0.000 0.756 47 P CB 0.004 31.451 31.700 -0.422 0.000 0.911 48 F N -4.457 115.526 119.950 0.056 0.000 2.667 48 F HA 0.173 4.700 4.527 -0.000 0.000 0.288 48 F C 1.997 177.951 175.800 0.258 0.000 1.086 48 F CA -0.107 57.972 58.000 0.133 0.000 1.297 48 F CB -0.569 38.509 39.000 0.130 0.000 1.059 48 F HN -0.191 nan 8.300 nan 0.000 0.624 49 Y N 1.334 121.820 120.300 0.310 0.000 2.242 49 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 49 Y C 2.674 178.710 175.900 0.227 0.000 1.137 49 Y CA 1.483 59.783 58.100 0.332 0.000 1.181 49 Y CB -0.201 38.538 38.460 0.465 0.000 0.989 49 Y HN -0.109 nan 8.280 nan 0.000 0.527 50 R N 0.976 121.575 120.500 0.165 0.000 2.103 50 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 50 R C 2.017 178.356 176.300 0.065 0.000 1.142 50 R CA 2.087 58.217 56.100 0.050 0.000 0.960 50 R CB -0.562 29.724 30.300 -0.023 0.000 0.858 50 R HN 0.272 nan 8.270 nan 0.000 0.439 51 E N -0.013 120.274 120.200 0.146 0.000 2.110 51 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 51 E C 1.868 178.684 176.600 0.360 0.000 0.988 51 E CA 1.396 57.976 56.400 0.300 0.000 0.804 51 E CB -0.386 29.521 29.700 0.345 0.000 0.745 51 E HN 0.467 nan 8.360 nan 0.000 0.458 52 A N 0.846 123.784 122.820 0.197 0.000 1.902 52 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 52 A C 2.606 180.088 177.584 -0.169 0.000 1.181 52 A CA 1.526 53.439 52.037 -0.207 0.000 0.623 52 A CB -0.634 18.256 19.000 -0.183 0.000 0.818 52 A HN 0.141 nan 8.150 nan 0.000 0.443 53 V N -0.156 119.665 119.914 -0.155 0.000 2.261 53 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 53 V C 2.618 178.703 176.094 -0.014 0.000 1.047 53 V CA 2.271 64.504 62.300 -0.111 0.000 1.015 53 V CB -0.803 30.962 31.823 -0.097 0.000 0.642 53 V HN 0.647 nan 8.190 nan 0.000 0.446 54 R N -0.684 119.840 120.500 0.040 0.000 2.127 54 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 54 R C 2.132 178.444 176.300 0.021 0.000 1.134 54 R CA 1.743 57.864 56.100 0.035 0.000 0.975 54 R CB -0.239 30.092 30.300 0.051 0.000 0.865 54 R HN 0.620 nan 8.270 nan 0.000 0.447 55 H N -1.413 117.654 119.070 -0.004 0.000 2.556 55 H HA 0.168 4.724 4.556 -0.000 0.000 0.268 55 H C 0.953 176.284 175.328 0.005 0.000 0.996 55 H CA 0.936 57.011 56.048 0.046 0.000 1.157 55 H CB 0.534 30.297 29.762 0.002 0.000 1.355 55 H HN 0.534 nan 8.280 nan 0.000 0.597 56 G N 0.241 109.062 108.800 0.034 0.000 2.147 56 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 56 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 56 G C 0.990 175.848 174.900 -0.070 0.000 1.005 56 G CA 0.507 45.592 45.100 -0.025 0.000 0.713 56 G HN 0.435 nan 8.290 nan 0.000 0.515 57 L N -1.063 120.097 121.223 -0.106 0.000 2.179 57 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 57 L C 2.747 179.581 176.870 -0.060 0.000 1.096 57 L CA 0.927 55.689 54.840 -0.131 0.000 0.779 57 L CB -0.315 41.597 42.059 -0.245 0.000 0.922 57 L HN 0.323 nan 8.230 nan 0.000 0.443 58 I N -0.185 120.357 120.570 -0.047 0.000 2.406 58 I HA -0.188 3.982 4.170 -0.000 0.000 0.249 58 I C 2.404 178.563 176.117 0.070 0.000 1.122 58 I CA 1.333 62.660 61.300 0.046 0.000 1.431 58 I CB -0.363 37.690 38.000 0.087 0.000 1.087 58 I HN 0.047 nan 8.210 nan 0.000 0.424 59 K N 0.443 120.865 120.400 0.037 0.000 2.147 59 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 59 K C 2.024 178.627 176.600 0.005 0.000 1.049 59 K CA 1.250 57.558 56.287 0.035 0.000 0.936 59 K CB -0.237 32.270 32.500 0.012 0.000 0.722 59 K HN 0.309 nan 8.250 nan 0.000 0.446 60 A N 0.952 123.759 122.820 -0.021 0.000 2.209 60 A HA -0.102 4.218 4.320 -0.000 0.000 0.212 60 A C 1.521 179.091 177.584 -0.022 0.000 1.158 60 A CA 0.907 52.919 52.037 -0.040 0.000 0.742 60 A CB -0.027 18.933 19.000 -0.067 0.000 0.790 60 A HN 0.177 nan 8.150 nan 0.000 0.472 61 Q N -0.485 119.315 119.800 0.000 0.000 2.403 61 Q HA 0.159 4.499 4.340 -0.000 0.000 0.203 61 Q C -0.291 175.700 176.000 -0.016 0.000 0.932 61 Q CA 0.384 56.186 55.803 -0.002 0.000 0.945 61 Q CB 0.060 28.806 28.738 0.014 0.000 1.045 61 Q HN 0.379 nan 8.270 nan 0.000 0.511 62 V N 3.569 123.478 119.914 -0.008 0.000 2.540 62 V HA 0.307 4.427 4.120 -0.000 0.000 0.302 62 V C -2.213 173.870 176.094 -0.020 0.000 1.035 62 V CA -2.080 60.214 62.300 -0.010 0.000 0.873 62 V CB 2.041 33.876 31.823 0.020 0.000 0.992 62 V HN 0.015 nan 8.190 nan 0.000 0.428 63 P HA 0.196 nan 4.420 nan 0.000 0.268 63 P C 1.081 178.365 177.300 -0.027 0.000 1.208 63 P CA 0.058 63.139 63.100 -0.032 0.000 0.777 63 P CB 1.328 33.010 31.700 -0.030 0.000 0.875 64 I N 2.994 123.543 120.570 -0.036 0.000 2.151 64 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 64 I C -0.547 175.558 176.117 -0.019 0.000 1.080 64 I CA 1.833 63.114 61.300 -0.031 0.000 1.339 64 I CB -2.071 35.905 38.000 -0.040 0.000 1.039 64 I HN 0.360 nan 8.210 nan 0.000 0.409 65 P HA -0.153 nan 4.420 nan 0.000 0.222 65 P C 1.026 178.322 177.300 -0.006 0.000 1.142 65 P CA 1.251 64.343 63.100 -0.013 0.000 0.788 65 P CB 0.038 31.730 31.700 -0.015 0.000 0.767 66 L N -2.883 118.337 121.223 -0.004 0.000 2.769 66 L HA 0.431 4.771 4.340 -0.000 0.000 0.240 66 L C 1.484 178.363 176.870 0.015 0.000 1.163 66 L CA 0.646 55.490 54.840 0.007 0.000 0.962 66 L CB -0.635 41.429 42.059 0.008 0.000 1.258 66 L HN 0.051 nan 8.230 nan 0.000 0.513 67 G N -1.431 107.373 108.800 0.007 0.000 2.159 67 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 67 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 67 G C 0.622 175.529 174.900 0.012 0.000 0.986 67 G CA -0.153 44.953 45.100 0.011 0.000 0.651 67 G HN 0.602 nan 8.290 nan 0.000 0.523 68 G N -0.847 107.957 108.800 0.005 0.000 2.531 68 G HA2 0.858 4.818 3.960 -0.000 0.000 0.281 68 G HA3 0.858 4.818 3.960 -0.000 0.000 0.281 68 G C 0.344 175.233 174.900 -0.019 0.000 1.382 68 G CA 0.885 45.986 45.100 0.002 0.000 1.045 68 G HN 1.385 nan 8.290 nan 0.000 0.533 72 S N -0.774 114.766 115.700 -0.266 0.000 2.645 72 S HA 0.280 4.750 4.470 -0.000 0.000 0.268 72 S C -0.059 174.563 174.600 0.036 0.000 1.110 72 S CA -0.759 57.414 58.200 -0.045 0.000 0.823 72 S CB 0.247 63.490 63.200 0.072 0.000 1.091 72 S HN 0.073 nan 8.310 nan 0.000 0.466 73 L N 1.382 122.620 121.223 0.026 0.000 2.217 73 L HA 0.016 4.356 4.340 -0.000 0.000 0.211 73 L C 2.375 179.256 176.870 0.018 0.000 1.107 73 L CA 0.951 55.807 54.840 0.026 0.000 0.783 73 L CB -0.570 41.502 42.059 0.021 0.000 0.919 73 L HN 0.675 nan 8.230 nan 0.000 0.442 74 V N -0.710 119.188 119.914 -0.027 0.000 2.358 74 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 74 V C 2.328 178.321 176.094 -0.169 0.000 1.047 74 V CA 1.757 63.930 62.300 -0.211 0.000 1.035 74 V CB -0.767 30.820 31.823 -0.393 0.000 0.658 74 V HN 0.437 nan 8.190 nan 0.000 0.452 75 H N 0.010 118.997 119.070 -0.138 0.000 2.353 75 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 75 H C 2.284 177.595 175.328 -0.027 0.000 1.090 75 H CA 1.811 57.810 56.048 -0.083 0.000 1.327 75 H CB -0.178 29.542 29.762 -0.069 0.000 1.383 75 H HN 0.449 nan 8.280 nan 0.000 0.508 76 E N 0.306 120.577 120.200 0.119 0.000 2.077 76 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 76 E C 2.510 179.170 176.600 0.100 0.000 0.989 76 E CA 1.402 57.855 56.400 0.089 0.000 0.800 76 E CB -0.316 29.421 29.700 0.061 0.000 0.746 76 E HN 0.270 nan 8.360 nan 0.000 0.452 77 S N -0.556 115.199 115.700 0.091 0.000 2.359 77 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 77 S C 2.032 176.747 174.600 0.192 0.000 1.035 77 S CA 1.463 59.750 58.200 0.145 0.000 1.018 77 S CB -0.444 62.872 63.200 0.194 0.000 0.876 77 S HN 0.404 nan 8.310 nan 0.000 0.448 78 I N 0.981 121.644 120.570 0.156 0.000 2.286 78 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 78 I C 2.205 178.422 176.117 0.166 0.000 1.115 78 I CA 1.270 62.678 61.300 0.179 0.000 1.392 78 I CB -0.356 37.686 38.000 0.070 0.000 1.065 78 I HN 0.352 nan 8.210 nan 0.000 0.418 79 I N 0.370 121.027 120.570 0.145 0.000 2.252 79 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 79 I C 2.396 178.638 176.117 0.208 0.000 1.102 79 I CA 1.297 62.695 61.300 0.163 0.000 1.385 79 I CB -0.213 37.865 38.000 0.130 0.000 1.064 79 I HN 0.184 nan 8.210 nan 0.000 0.414 80 L N 0.344 121.695 121.223 0.214 0.000 2.093 80 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 80 L C 2.595 179.665 176.870 0.332 0.000 1.085 80 L CA 1.303 56.324 54.840 0.303 0.000 0.755 80 L CB -0.583 41.597 42.059 0.203 0.000 0.904 80 L HN 0.319 nan 8.230 nan 0.000 0.435 81 E N 0.284 120.617 120.200 0.222 0.000 2.058 81 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 81 E C 2.006 178.738 176.600 0.220 0.000 0.997 81 E CA 1.274 57.791 56.400 0.195 0.000 0.801 81 E CB 0.179 29.975 29.700 0.160 0.000 0.746 81 E HN 0.366 nan 8.360 nan 0.000 0.450 82 E N 0.372 120.695 120.200 0.206 0.000 2.077 82 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 82 E C 2.178 178.890 176.600 0.187 0.000 0.989 82 E CA 0.574 57.083 56.400 0.181 0.000 0.800 82 E CB -0.246 29.557 29.700 0.171 0.000 0.746 82 E HN 0.259 nan 8.360 nan 0.000 0.452 83 L N -0.315 121.046 121.223 0.230 0.000 2.027 83 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 83 L C 2.182 179.103 176.870 0.084 0.000 1.074 83 L CA 1.380 56.327 54.840 0.179 0.000 0.745 83 L CB -0.622 41.567 42.059 0.217 0.000 0.898 83 L HN 0.040 nan 8.230 nan 0.000 0.433 84 F N -0.946 119.082 119.950 0.130 0.000 2.407 84 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 84 F C 2.320 178.180 175.800 0.101 0.000 1.097 84 F CA 0.759 58.836 58.000 0.129 0.000 1.422 84 F CB -0.706 38.368 39.000 0.124 0.000 1.067 84 F HN 0.049 nan 8.300 nan 0.000 0.539 85 A N -0.753 122.202 122.820 0.225 0.000 2.121 85 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 85 A C 2.072 179.703 177.584 0.079 0.000 1.154 85 A CA 1.620 53.744 52.037 0.145 0.000 0.679 85 A CB -0.631 18.446 19.000 0.129 0.000 0.795 85 A HN 0.205 nan 8.150 nan 0.000 0.458 86 V N -1.385 118.562 119.914 0.054 0.000 2.854 86 V HA 0.199 4.319 4.120 -0.000 0.000 0.236 86 V C 0.354 176.430 176.094 -0.031 0.000 1.157 86 V CA 1.111 63.412 62.300 0.002 0.000 1.187 86 V CB 0.325 32.142 31.823 -0.009 0.000 0.949 86 V HN 0.558 nan 8.190 nan 0.000 0.488 87 E N -0.694 119.468 120.200 -0.063 0.000 2.343 87 E HA 0.330 4.680 4.350 -0.000 0.000 0.288 87 E C -2.594 173.881 176.600 -0.208 0.000 0.907 87 E CA -1.378 54.966 56.400 -0.093 0.000 0.792 87 E CB 2.216 31.863 29.700 -0.089 0.000 1.275 87 E HN -0.008 nan 8.360 nan 0.000 0.402 88 P HA 0.051 nan 4.420 nan 0.000 0.219 88 P C -0.252 176.946 177.300 -0.171 0.000 1.150 88 P CA 0.914 63.831 63.100 -0.304 0.000 0.814 88 P CB 0.206 31.979 31.700 0.120 0.000 0.787 89 A N -0.577 122.191 122.820 -0.088 0.000 2.531 89 A HA 0.176 4.496 4.320 -0.000 0.000 0.236 89 A C 1.349 178.957 177.584 0.040 0.000 1.062 89 A CA 1.319 53.330 52.037 -0.043 0.000 0.760 89 A CB -1.049 17.881 19.000 -0.115 0.000 0.995 89 A HN 0.251 nan 8.150 nan 0.000 0.501 90 T N 1.425 116.087 114.554 0.179 0.000 11.905 90 T HA -0.293 4.057 4.350 -0.000 0.000 0.415 90 T C 1.855 176.734 174.700 0.299 0.000 1.473 90 T CA 2.331 64.632 62.100 0.335 0.000 2.431 90 T CB -1.813 67.283 68.868 0.380 0.000 2.843 90 T HN 0.929 nan 8.240 nan 0.000 0.889 91 S N 0.553 116.318 115.700 0.108 0.000 2.370 91 S HA -0.027 4.442 4.470 -0.000 0.000 0.226 91 S C 1.773 176.496 174.600 0.206 0.000 1.033 91 S CA 1.539 59.756 58.200 0.029 0.000 1.011 91 S CB -0.308 62.584 63.200 -0.514 0.000 0.852 91 S HN 0.549 nan 8.310 nan 0.000 0.457 92 I N 2.036 122.728 120.570 0.203 0.000 2.315 92 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 92 I C 2.033 178.330 176.117 0.300 0.000 1.117 92 I CA 1.432 62.976 61.300 0.407 0.000 1.404 92 I CB -0.825 37.372 38.000 0.329 0.000 1.071 92 I HN 0.162 nan 8.210 nan 0.000 0.419 93 T N 0.890 115.614 114.554 0.283 0.000 2.821 93 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 93 T C 2.005 176.914 174.700 0.348 0.000 1.046 93 T CA 1.893 64.147 62.100 0.257 0.000 1.139 93 T CB -0.329 68.710 68.868 0.286 0.000 0.871 93 T HN 0.327 nan 8.240 nan 0.000 0.454 94 I N 0.779 121.612 120.570 0.437 0.000 2.252 94 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 94 I C 2.432 178.707 176.117 0.264 0.000 1.102 94 I CA 0.840 62.380 61.300 0.398 0.000 1.385 94 I CB -0.411 37.764 38.000 0.291 0.000 1.064 94 I HN 0.089 nan 8.210 nan 0.000 0.414 95 V N 1.110 121.182 119.914 0.264 0.000 2.343 95 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 95 V C 2.753 178.914 176.094 0.112 0.000 1.051 95 V CA 1.924 64.339 62.300 0.192 0.000 1.036 95 V CB -1.025 30.951 31.823 0.254 0.000 0.654 95 V HN 0.481 nan 8.190 nan 0.000 0.451 96 A N -0.231 122.666 122.820 0.127 0.000 1.883 96 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 96 A C 2.415 180.008 177.584 0.014 0.000 1.186 96 A CA 2.689 54.757 52.037 0.052 0.000 0.624 96 A CB -1.085 17.941 19.000 0.043 0.000 0.822 96 A HN 0.486 nan 8.150 nan 0.000 0.444 97 T N 0.134 114.732 114.554 0.074 0.000 2.746 97 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 97 T C 2.203 176.870 174.700 -0.055 0.000 1.039 97 T CA 1.587 63.716 62.100 0.048 0.000 1.142 97 T CB -0.451 68.561 68.868 0.239 0.000 0.866 97 T HN 0.612 nan 8.240 nan 0.000 0.444 98 A N 1.033 123.850 122.820 -0.006 0.000 1.933 98 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 98 A C 2.295 179.810 177.584 -0.116 0.000 1.175 98 A CA 1.088 53.093 52.037 -0.053 0.000 0.628 98 A CB -0.797 18.202 19.000 -0.002 0.000 0.814 98 A HN 0.478 nan 8.150 nan 0.000 0.444 99 L N -0.773 120.376 121.223 -0.124 0.000 2.027 99 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 99 L C 2.586 179.309 176.870 -0.246 0.000 1.074 99 L CA 1.507 56.219 54.840 -0.213 0.000 0.745 99 L CB -0.738 41.178 42.059 -0.238 0.000 0.898 99 L HN 0.476 nan 8.230 nan 0.000 0.433 100 G N -0.228 108.451 108.800 -0.202 0.000 2.498 100 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 100 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 100 G C 0.708 175.462 174.900 -0.242 0.000 1.119 100 G CA 0.102 45.080 45.100 -0.203 0.000 0.766 100 G HN 0.108 nan 8.290 nan 0.000 0.552 104 V N 0.819 120.653 119.914 -0.133 0.000 2.343 104 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 104 V C 2.198 178.253 176.094 -0.064 0.000 1.051 104 V CA 1.828 64.071 62.300 -0.095 0.000 1.036 104 V CB -0.657 31.121 31.823 -0.076 0.000 0.654 104 V HN 0.230 nan 8.190 nan 0.000 0.451 105 I N -0.437 120.086 120.570 -0.077 0.000 2.361 105 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 105 I C 2.094 178.175 176.117 -0.060 0.000 1.133 105 I CA 1.609 62.873 61.300 -0.060 0.000 1.413 105 I CB -0.172 37.786 38.000 -0.070 0.000 1.073 105 I HN 0.284 nan 8.210 nan 0.000 0.424 106 L N 0.193 121.369 121.223 -0.080 0.000 2.477 106 L HA 0.027 4.367 4.340 -0.000 0.000 0.220 106 L C 1.679 178.501 176.870 -0.080 0.000 1.106 106 L CA -0.391 54.398 54.840 -0.085 0.000 0.851 106 L CB -0.357 41.635 42.059 -0.111 0.000 0.994 106 L HN 0.453 nan 8.230 nan 0.000 0.462 107 C N 0.031 119.286 119.300 -0.074 0.000 2.758 107 C HA 0.061 4.521 4.460 -0.000 0.000 0.371 107 C C 1.293 176.256 174.990 -0.046 0.000 1.342 107 C CA -0.330 58.649 59.018 -0.065 0.000 2.257 107 C CB 0.111 27.813 27.740 -0.064 0.000 2.621 107 C HN 0.618 nan 8.230 nan 0.000 0.730 108 D N 0.076 120.453 120.400 -0.039 0.000 2.427 108 D HA 0.164 4.804 4.640 -0.000 0.000 0.224 108 D C 0.281 176.574 176.300 -0.012 0.000 1.157 108 D CA 0.110 54.095 54.000 -0.026 0.000 0.828 108 D CB -0.241 40.542 40.800 -0.028 0.000 0.974 108 D HN 0.517 nan 8.370 nan 0.000 0.498 109 S N 0.582 116.278 115.700 -0.006 0.000 2.512 109 S HA 0.322 4.792 4.470 -0.000 0.000 0.291 109 S C -1.761 172.854 174.600 0.025 0.000 1.151 109 S CA -1.584 56.623 58.200 0.012 0.000 1.120 109 S CB 0.997 64.207 63.200 0.017 0.000 1.029 109 S HN -0.171 nan 8.310 nan 0.000 0.485 110 P HA -0.157 nan 4.420 nan 0.000 0.216 110 P C 1.741 179.062 177.300 0.034 0.000 1.153 110 P CA 1.379 64.492 63.100 0.023 0.000 0.858 110 P CB 0.012 31.721 31.700 0.014 0.000 0.789 111 S N -1.016 114.706 115.700 0.036 0.000 2.368 111 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 111 S C 1.926 176.567 174.600 0.069 0.000 1.030 111 S CA 1.067 59.290 58.200 0.039 0.000 0.999 111 S CB -1.610 61.611 63.200 0.036 0.000 0.844 111 S HN -0.020 nan 8.310 nan 0.000 0.459 112 L N 1.825 123.113 121.223 0.109 0.000 2.017 112 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 112 L C 2.825 179.851 176.870 0.261 0.000 1.073 112 L CA 1.840 56.817 54.840 0.228 0.000 0.745 112 L CB -0.846 41.313 42.059 0.167 0.000 0.894 112 L HN 0.366 nan 8.230 nan 0.000 0.432 113 Q N -0.804 119.081 119.800 0.142 0.000 2.030 113 Q HA -0.306 4.034 4.340 -0.000 0.000 0.204 113 Q C 2.037 178.106 176.000 0.115 0.000 0.986 113 Q CA 1.914 57.789 55.803 0.119 0.000 0.843 113 Q CB -0.395 28.378 28.738 0.058 0.000 0.904 113 Q HN 0.591 nan 8.270 nan 0.000 0.420 114 E N 1.565 121.806 120.200 0.069 0.000 2.097 114 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 114 E C 1.810 178.417 176.600 0.012 0.000 1.000 114 E CA 1.922 58.344 56.400 0.037 0.000 0.804 114 E CB -0.115 29.595 29.700 0.017 0.000 0.740 114 E HN 0.258 nan 8.360 nan 0.000 0.454 115 K N -1.143 119.243 120.400 -0.024 0.000 2.031 115 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 115 K C 1.685 178.124 176.600 -0.269 0.000 1.049 115 K CA 1.417 57.583 56.287 -0.202 0.000 0.939 115 K CB -0.232 32.047 32.500 -0.368 0.000 0.717 115 K HN 0.220 nan 8.250 nan 0.000 0.438 116 F N 0.722 120.718 119.950 0.077 0.000 2.569 116 F HA 0.118 4.645 4.527 -0.000 0.000 0.295 116 F C 1.664 177.598 175.800 0.224 0.000 1.115 116 F CA 0.342 58.418 58.000 0.127 0.000 1.450 116 F CB 0.181 39.237 39.000 0.093 0.000 1.107 116 F HN -0.063 nan 8.300 nan 0.000 0.563 117 L N -0.548 120.866 121.223 0.319 0.000 2.509 117 L HA -0.009 4.331 4.340 -0.000 0.000 0.222 117 L C 2.280 179.325 176.870 0.293 0.000 1.123 117 L CA 0.254 55.291 54.840 0.329 0.000 0.856 117 L CB -0.343 41.821 42.059 0.175 0.000 0.985 117 L HN -0.027 nan 8.230 nan 0.000 0.456 118 K N 1.867 122.366 120.400 0.164 0.000 2.015 118 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 118 K C -0.594 176.032 176.600 0.045 0.000 1.052 118 K CA 1.910 58.243 56.287 0.076 0.000 0.937 118 K CB -1.271 31.237 32.500 0.013 0.000 0.719 118 K HN 0.125 nan 8.250 nan 0.000 0.446 119 P HA -0.125 nan 4.420 nan 0.000 0.228 119 P C 0.541 177.647 177.300 -0.323 0.000 1.151 119 P CA 1.167 64.146 63.100 -0.202 0.000 0.770 119 P CB -0.016 31.496 31.700 -0.313 0.000 0.786 120 F N -0.014 119.980 119.950 0.074 0.000 2.714 120 F HA 0.218 4.745 4.527 0.000 0.000 0.294 120 F C 2.154 177.981 175.800 0.045 0.000 1.120 120 F CA 0.249 58.294 58.000 0.076 0.000 1.398 120 F CB -0.358 38.692 39.000 0.084 0.000 1.120 120 F HN -0.170 nan 8.300 nan 0.000 0.589 121 I N -2.700 117.969 120.570 0.165 0.000 4.018 121 I HA 0.201 4.371 4.170 -0.000 0.000 0.337 121 I C 1.700 177.844 176.117 0.045 0.000 1.327 121 I CA 0.438 61.795 61.300 0.095 0.000 1.100 121 I CB -0.297 37.751 38.000 0.081 0.000 1.025 121 I HN 0.015 nan 8.210 nan 0.000 0.396 122 S N 0.968 116.684 115.700 0.026 0.000 2.470 122 S HA 0.192 4.662 4.470 -0.000 0.000 0.225 122 S C 1.823 176.422 174.600 -0.001 0.000 1.006 122 S CA 0.612 58.814 58.200 0.003 0.000 0.934 122 S CB -0.422 62.769 63.200 -0.017 0.000 0.778 122 S HN 0.819 nan 8.310 nan 0.000 0.517 123 G N 0.668 109.471 108.800 0.005 0.000 2.160 123 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.251 123 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.251 123 G C -0.214 174.681 174.900 -0.007 0.000 1.008 123 G CA 0.397 45.496 45.100 -0.001 0.000 0.724 123 G HN 0.558 nan 8.290 nan 0.000 0.514 124 E N -0.229 119.964 120.200 -0.011 0.000 2.227 124 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 124 E C 1.036 177.634 176.600 -0.004 0.000 0.907 124 E CA 0.516 56.908 56.400 -0.012 0.000 0.786 124 E CB 1.487 31.176 29.700 -0.019 0.000 1.191 124 E HN 1.339 nan 8.360 nan 0.000 0.411 125 G N 2.779 111.580 108.800 0.001 0.000 2.578 125 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.284 125 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.284 125 G C -0.374 174.574 174.900 0.080 0.000 1.283 125 G CA 0.526 45.639 45.100 0.021 0.000 0.944 125 G HN 0.599 nan 8.290 nan 0.000 0.558 126 E N 0.229 120.532 120.200 0.171 0.000 3.108 126 E HA 0.364 4.714 4.350 -0.000 0.000 0.228 126 E C -2.841 174.097 176.600 0.565 0.000 1.176 126 E CA -1.769 54.895 56.400 0.440 0.000 0.881 126 E CB 1.919 31.938 29.700 0.532 0.000 1.354 126 E HN 0.522 nan 8.360 nan 0.000 0.400 127 P HA 0.179 nan 4.420 nan 0.000 0.271 127 P C -0.507 177.079 177.300 0.476 0.000 1.220 127 P CA -0.508 62.676 63.100 0.141 0.000 0.768 127 P CB 1.047 32.444 31.700 -0.505 0.000 0.848 128 L N 3.480 124.929 121.223 0.378 0.000 2.322 128 L HA 0.675 5.015 4.340 -0.000 0.000 0.281 128 L C 0.138 177.246 176.870 0.398 0.000 1.014 128 L CA -0.619 54.395 54.840 0.290 0.000 0.815 128 L CB 1.388 43.398 42.059 -0.083 0.000 1.247 128 L HN 0.490 nan 8.230 nan 0.000 0.421 129 A N 2.296 125.276 122.820 0.267 0.000 2.380 129 A HA 0.895 5.215 4.320 -0.000 0.000 0.315 129 A C -0.802 176.778 177.584 -0.005 0.000 1.101 129 A CA -0.488 51.592 52.037 0.073 0.000 0.771 129 A CB 1.729 20.571 19.000 -0.263 0.000 1.287 129 A HN 0.588 nan 8.150 nan 0.000 0.436 130 S N 1.333 117.017 115.700 -0.027 0.000 2.603 130 S HA 0.540 5.010 4.470 -0.000 0.000 0.274 130 S C -0.983 173.585 174.600 -0.053 0.000 1.168 130 S CA -0.528 57.650 58.200 -0.037 0.000 0.963 130 S CB 0.610 63.804 63.200 -0.010 0.000 1.078 130 S HN 0.938 nan 8.310 nan 0.000 0.477 134 S N 2.386 118.140 115.700 0.090 0.000 2.558 134 S HA 0.139 4.609 4.470 -0.000 0.000 0.287 134 S C 0.020 174.644 174.600 0.040 0.000 1.321 134 S CA 0.527 58.771 58.200 0.073 0.000 1.048 134 S CB 0.735 64.073 63.200 0.229 0.000 0.844 134 S HN 0.348 nan 8.310 nan 0.000 0.512 135 E N 1.883 122.104 120.200 0.035 0.000 2.433 135 E HA 0.258 4.608 4.350 -0.000 0.000 0.273 135 E C -2.188 174.420 176.600 0.013 0.000 0.950 135 E CA -2.169 54.233 56.400 0.002 0.000 0.796 135 E CB 0.903 30.584 29.700 -0.032 0.000 1.330 135 E HN 0.161 nan 8.360 nan 0.000 0.455 136 P HA -0.133 nan 4.420 nan 0.000 0.216 136 P C 0.284 177.567 177.300 -0.028 0.000 1.150 136 P CA 1.435 64.459 63.100 -0.126 0.000 0.837 136 P CB 0.113 31.700 31.700 -0.187 0.000 0.786 137 N N -1.221 117.477 118.700 -0.003 0.000 2.398 137 N HA 0.214 4.954 4.740 -0.000 0.000 0.188 137 N C 0.614 176.142 175.510 0.031 0.000 1.122 137 N CA 0.184 53.242 53.050 0.014 0.000 0.866 137 N CB 0.146 38.642 38.487 0.015 0.000 0.970 137 N HN 0.115 nan 8.380 nan 0.000 0.462 138 G N 0.196 109.022 108.800 0.044 0.000 2.661 138 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.685 138 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.685 138 G C 0.188 175.103 174.900 0.024 0.000 1.298 138 G CA -0.144 44.981 45.100 0.042 0.000 0.855 138 G HN 0.173 nan 8.290 nan 0.000 0.560 139 T N -3.694 110.869 114.554 0.015 0.000 3.252 139 T HA 0.591 4.941 4.350 -0.000 0.000 0.295 139 T C 2.080 176.851 174.700 0.118 0.000 0.897 139 T CA 1.437 63.549 62.100 0.019 0.000 0.905 139 T CB 0.309 69.096 68.868 -0.135 0.000 1.202 139 T HN 2.141 nan 8.240 nan 0.000 0.592 140 A N 2.669 125.536 122.820 0.079 0.000 2.024 140 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 140 A C 1.608 179.301 177.584 0.182 0.000 1.164 140 A CA 1.595 53.693 52.037 0.101 0.000 0.643 140 A CB -0.756 18.265 19.000 0.035 0.000 0.806 140 A HN 0.667 nan 8.150 nan 0.000 0.451 141 N N -0.576 118.231 118.700 0.179 0.000 2.275 141 N HA 0.072 4.812 4.740 -0.000 0.000 0.236 141 N C 0.982 176.595 175.510 0.172 0.000 1.154 141 N CA 0.124 53.256 53.050 0.137 0.000 0.866 141 N CB 0.172 38.701 38.487 0.070 0.000 1.093 141 N HN 0.813 nan 8.380 nan 0.000 0.515 142 W N 0.349 121.653 121.300 0.007 0.000 2.387 142 W HA -0.045 4.615 4.660 -0.000 0.000 0.272 142 W C 0.034 176.563 176.519 0.017 0.000 1.224 142 W CA 0.494 57.845 57.345 0.009 0.000 1.210 142 W CB -0.691 28.783 29.460 0.024 0.000 1.125 142 W HN 0.116 nan 8.180 nan 0.000 0.572 143 L N 0.902 121.802 121.223 -0.538 0.000 2.728 143 L HA 0.207 4.547 4.340 -0.000 0.000 0.238 143 L C 1.208 177.921 176.870 -0.261 0.000 1.143 143 L CA -0.079 54.403 54.840 -0.597 0.000 0.937 143 L CB -0.389 41.189 42.059 -0.801 0.000 1.225 143 L HN -0.128 nan 8.230 nan 0.000 0.507 144 Q N 2.519 122.238 119.800 -0.136 0.000 2.281 144 Q HA 0.023 4.363 4.340 -0.000 0.000 0.267 144 Q C 0.108 176.068 176.000 -0.066 0.000 1.053 144 Q CA 0.071 55.829 55.803 -0.075 0.000 0.905 144 Q CB 0.669 29.391 28.738 -0.027 0.000 1.195 144 Q HN 0.077 nan 8.270 nan 0.000 0.398 145 K N 2.861 123.221 120.400 -0.066 0.000 2.412 145 K HA 0.123 4.443 4.320 -0.000 0.000 0.281 145 K C 0.628 177.209 176.600 -0.032 0.000 1.027 145 K CA 1.105 57.361 56.287 -0.052 0.000 0.989 145 K CB 0.120 32.591 32.500 -0.049 0.000 0.935 145 K HN 0.884 nan 8.250 nan 0.000 0.475 146 G N 2.410 111.195 108.800 -0.024 0.000 2.217 146 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.246 146 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.246 146 G C 0.385 175.280 174.900 -0.008 0.000 0.990 146 G CA -0.106 44.986 45.100 -0.014 0.000 0.627 146 G HN 0.956 nan 8.290 nan 0.000 0.522 147 G N 0.205 108.999 108.800 -0.009 0.000 2.547 147 G HA2 0.636 4.596 3.960 -0.000 0.000 0.291 147 G HA3 0.636 4.596 3.960 -0.000 0.000 0.291 147 G C -0.353 174.553 174.900 0.009 0.000 1.211 147 G CA -0.134 44.967 45.100 0.002 0.000 0.950 147 G HN 0.140 nan 8.290 nan 0.000 0.504 148 P HA 0.077 nan 4.420 nan 0.000 0.229 148 P C 1.210 178.531 177.300 0.035 0.000 1.160 148 P CA 1.165 64.280 63.100 0.024 0.000 0.777 148 P CB 0.035 31.751 31.700 0.026 0.000 0.814 149 G N 0.859 109.687 108.800 0.046 0.000 2.749 149 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 149 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 149 G C -0.431 174.526 174.900 0.095 0.000 1.364 149 G CA -0.469 44.676 45.100 0.075 0.000 0.888 149 G HN 0.292 nan 8.290 nan 0.000 0.566 150 L N 0.443 121.744 121.223 0.129 0.000 2.559 150 L HA 0.044 4.384 4.340 -0.000 0.000 0.282 150 L C 1.707 178.608 176.870 0.050 0.000 1.232 150 L CA 0.105 54.995 54.840 0.082 0.000 0.885 150 L CB 0.524 42.634 42.059 0.085 0.000 1.131 150 L HN 0.565 nan 8.230 nan 0.000 0.498 151 Q N 0.918 120.737 119.800 0.031 0.000 2.360 151 Q HA 0.093 4.433 4.340 -0.000 0.000 0.202 151 Q C 0.061 176.084 176.000 0.039 0.000 0.915 151 Q CA 0.314 56.138 55.803 0.034 0.000 0.943 151 Q CB 0.335 29.091 28.738 0.030 0.000 1.064 151 Q HN 0.597 nan 8.270 nan 0.000 0.511 152 T N 2.197 116.770 114.554 0.031 0.000 2.753 152 T HA 0.352 4.702 4.350 -0.000 0.000 0.297 152 T C 0.078 174.792 174.700 0.022 0.000 0.981 152 T CA -0.259 61.863 62.100 0.037 0.000 0.956 152 T CB 0.996 69.882 68.868 0.030 0.000 0.936 152 T HN 0.186 nan 8.240 nan 0.000 0.463 153 T N 0.281 114.854 114.554 0.031 0.000 2.908 153 T HA 0.842 5.192 4.350 -0.000 0.000 0.290 153 T C -0.563 174.165 174.700 0.047 0.000 1.034 153 T CA -1.081 61.044 62.100 0.041 0.000 1.010 153 T CB 1.922 70.825 68.868 0.057 0.000 1.068 153 T HN 0.554 nan 8.240 nan 0.000 0.481 154 A N 1.934 124.808 122.820 0.090 0.000 2.331 154 A HA 0.797 5.117 4.320 -0.000 0.000 0.320 154 A C -0.150 177.639 177.584 0.341 0.000 1.138 154 A CA -1.034 51.117 52.037 0.191 0.000 0.790 154 A CB 1.120 20.184 19.000 0.106 0.000 1.206 154 A HN 0.966 nan 8.150 nan 0.000 0.470 155 R N 1.992 122.678 120.500 0.310 0.000 2.480 155 R HA 0.438 4.778 4.340 -0.000 0.000 0.306 155 R C -0.977 175.288 176.300 -0.059 0.000 0.958 155 R CA -0.736 55.450 56.100 0.144 0.000 0.861 155 R CB 1.077 31.403 30.300 0.043 0.000 1.171 155 R HN 0.505 nan 8.270 nan 0.000 0.445 156 K N 3.640 123.762 120.400 -0.463 0.000 2.338 156 K HA 0.150 4.470 4.320 -0.000 0.000 0.290 156 K C -1.325 174.997 176.600 -0.463 0.000 1.069 156 K CA -0.071 55.634 56.287 -0.970 0.000 0.941 156 K CB 0.897 32.676 32.500 -1.201 0.000 1.023 156 K HN 0.325 nan 8.250 nan 0.000 0.477 157 V N 5.692 125.396 119.914 -0.350 0.000 2.305 157 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 157 V C 0.995 176.996 176.094 -0.154 0.000 1.020 157 V CA 0.169 62.361 62.300 -0.179 0.000 0.811 157 V CB 0.191 31.970 31.823 -0.075 0.000 1.031 157 V HN 1.046 nan 8.190 nan 0.000 0.439 158 G N 5.166 113.867 108.800 -0.166 0.000 2.595 158 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.297 158 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.297 158 G C 0.658 175.448 174.900 -0.183 0.000 1.181 158 G CA 0.684 45.703 45.100 -0.135 0.000 0.963 158 G HN 0.571 nan 8.290 nan 0.000 0.541 159 N N 2.506 121.134 118.700 -0.120 0.000 2.187 159 N HA 0.206 4.946 4.740 -0.000 0.000 0.212 159 N C 0.263 175.769 175.510 -0.006 0.000 1.152 159 N CA 0.523 53.510 53.050 -0.106 0.000 0.872 159 N CB 1.000 39.463 38.487 -0.040 0.000 1.025 159 N HN 0.703 nan 8.380 nan 0.000 0.514 160 E N -0.750 119.435 120.200 -0.026 0.000 2.339 160 E HA 0.382 4.732 4.350 -0.000 0.000 0.262 160 E C -1.137 175.450 176.600 -0.021 0.000 0.934 160 E CA -0.725 55.735 56.400 0.100 0.000 0.802 160 E CB 1.629 31.438 29.700 0.182 0.000 1.275 160 E HN -0.015 nan 8.360 nan 0.000 0.427 161 W N 0.536 121.882 121.300 0.076 0.000 2.632 161 W HA 0.446 5.106 4.660 -0.000 0.000 0.328 161 W C -0.976 175.510 176.519 -0.054 0.000 1.044 161 W CA -0.524 56.837 57.345 0.027 0.000 1.225 161 W CB 1.559 31.043 29.460 0.041 0.000 1.396 161 W HN 0.119 nan 8.180 nan 0.000 0.499 162 V N 5.424 125.411 119.914 0.122 0.000 2.384 162 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 162 V C -0.013 176.117 176.094 0.060 0.000 1.020 162 V CA -0.922 61.343 62.300 -0.059 0.000 0.850 162 V CB 0.831 32.532 31.823 -0.203 0.000 0.987 162 V HN 0.368 nan 8.190 nan 0.000 0.436 163 I N 4.668 125.280 120.570 0.070 0.000 2.353 163 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 163 I C 0.242 176.409 176.117 0.083 0.000 0.992 163 I CA 0.069 61.376 61.300 0.012 0.000 1.268 163 I CB 1.879 39.735 38.000 -0.241 0.000 1.387 163 I HN 0.755 nan 8.210 nan 0.000 0.478 164 S N 3.982 119.725 115.700 0.072 0.000 2.547 164 S HA 0.978 5.448 4.470 -0.000 0.000 0.281 164 S C -0.416 174.253 174.600 0.115 0.000 1.118 164 S CA -0.405 57.866 58.200 0.118 0.000 0.947 164 S CB 2.225 65.474 63.200 0.082 0.000 1.053 164 S HN 1.235 nan 8.310 nan 0.000 0.482 165 G N 1.549 110.434 108.800 0.141 0.000 2.347 165 G HA2 0.292 4.252 3.960 -0.000 0.000 0.341 165 G HA3 0.292 4.252 3.960 -0.000 0.000 0.341 165 G C -2.008 172.965 174.900 0.122 0.000 1.287 165 G CA -0.943 44.224 45.100 0.111 0.000 0.984 165 G HN 0.814 nan 8.290 nan 0.000 0.526 166 E N -0.070 120.176 120.200 0.077 0.000 2.256 166 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 166 E C -0.695 175.938 176.600 0.055 0.000 0.892 166 E CA -1.039 55.382 56.400 0.035 0.000 0.775 166 E CB 2.175 31.919 29.700 0.075 0.000 1.207 166 E HN 0.275 nan 8.360 nan 0.000 0.420 167 K N 1.580 121.989 120.400 0.015 0.000 2.267 167 K HA 0.624 4.944 4.320 -0.000 0.000 0.246 167 K C -1.252 175.331 176.600 -0.028 0.000 0.954 167 K CA -1.029 55.263 56.287 0.008 0.000 0.824 167 K CB 2.083 34.601 32.500 0.030 0.000 1.167 167 K HN 0.328 nan 8.250 nan 0.000 0.431 168 L N 1.121 122.299 121.223 -0.075 0.000 2.482 168 L HA 0.387 4.727 4.340 -0.000 0.000 0.263 168 L C -0.954 175.837 176.870 -0.131 0.000 0.957 168 L CA 0.276 54.949 54.840 -0.278 0.000 0.836 168 L CB 1.267 43.011 42.059 -0.525 0.000 1.324 168 L HN 0.868 nan 8.230 nan 0.000 0.406 169 W N 0.939 122.201 121.300 -0.065 0.000 0.609 169 W HA -0.210 4.450 4.660 0.000 0.000 0.219 169 W C -1.536 174.963 176.519 -0.033 0.000 0.929 169 W CA 0.178 57.497 57.345 -0.043 0.000 0.339 169 W CB -2.019 27.424 29.460 -0.029 0.000 1.924 169 W HN 0.400 nan 8.180 nan 0.000 1.138 170 P HA 0.083 nan 4.420 nan 0.000 0.256 170 P C 0.148 177.466 177.300 0.030 0.000 1.173 170 P CA 1.065 64.223 63.100 0.096 0.000 0.768 170 P CB 0.619 32.358 31.700 0.064 0.000 0.758 171 S N 4.506 120.221 115.700 0.025 0.000 2.546 171 S HA -0.033 4.437 4.470 -0.000 0.000 0.290 171 S C 0.739 175.257 174.600 -0.136 0.000 1.262 171 S CA -0.062 58.105 58.200 -0.055 0.000 1.083 171 S CB -0.576 62.614 63.200 -0.017 0.000 0.859 171 S HN 0.543 nan 8.310 nan 0.000 0.495 172 N N 1.140 119.667 118.700 -0.287 0.000 2.716 172 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 172 N C 1.006 176.429 175.510 -0.145 0.000 1.033 172 N CA 0.994 53.828 53.050 -0.361 0.000 0.727 172 N CB -1.753 36.494 38.487 -0.400 0.000 0.950 172 N HN 0.820 nan 8.380 nan 0.000 0.541 173 S N -1.710 113.946 115.700 -0.073 0.000 2.453 173 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 173 S C 1.737 176.390 174.600 0.088 0.000 1.005 173 S CA 0.863 59.070 58.200 0.012 0.000 0.949 173 S CB 0.052 63.258 63.200 0.010 0.000 0.774 173 S HN 0.493 nan 8.310 nan 0.000 0.510 174 G N 0.478 109.340 108.800 0.102 0.000 3.284 174 G HA2 0.517 4.477 3.960 -0.000 0.000 0.236 174 G HA3 0.517 4.477 3.960 -0.000 0.000 0.236 174 G C 0.834 175.877 174.900 0.237 0.000 1.158 174 G CA -0.000 45.252 45.100 0.254 0.000 0.774 174 G HN 1.036 nan 8.290 nan 0.000 0.545 175 G N -0.646 108.204 108.800 0.082 0.000 2.645 175 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 175 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 175 G C 0.651 175.568 174.900 0.029 0.000 1.322 175 G CA 0.168 45.258 45.100 -0.017 0.000 0.898 175 G HN 0.290 nan 8.290 nan 0.000 0.573 176 W N 0.124 121.532 121.300 0.181 0.000 2.518 176 W HA 0.251 4.911 4.660 -0.000 0.000 0.273 176 W C 1.978 178.491 176.519 -0.011 0.000 1.247 176 W CA 1.023 58.411 57.345 0.071 0.000 1.288 176 W CB 0.121 29.539 29.460 -0.070 0.000 1.107 176 W HN 0.640 nan 8.180 nan 0.000 0.586 177 D N -2.698 117.832 120.400 0.218 0.000 2.623 177 D HA -0.031 4.609 4.640 -0.000 0.000 0.252 177 D C 0.012 176.417 176.300 0.175 0.000 1.294 177 D CA -0.869 53.196 54.000 0.108 0.000 0.824 177 D CB -1.133 39.747 40.800 0.134 0.000 1.070 177 D HN 0.057 nan 8.370 nan 0.000 0.487 178 Y N 0.446 120.841 120.300 0.159 0.000 4.538 178 Y HA -0.273 4.277 4.550 -0.000 0.000 0.225 178 Y C 0.778 176.789 175.900 0.184 0.000 1.074 178 Y CA 0.005 58.191 58.100 0.143 0.000 1.942 178 Y CB -2.356 36.165 38.460 0.100 0.000 1.618 178 Y HN 0.278 nan 8.280 nan 0.000 0.642 179 K N 0.405 120.979 120.400 0.289 0.000 2.397 179 K HA 0.443 4.763 4.320 -0.000 0.000 0.202 179 K C 1.103 177.757 176.600 0.090 0.000 1.022 179 K CA 0.598 56.993 56.287 0.182 0.000 1.141 179 K CB 0.233 32.817 32.500 0.139 0.000 0.857 179 K HN 0.449 nan 8.250 nan 0.000 0.514 180 G N 1.071 109.969 108.800 0.163 0.000 2.712 180 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.686 180 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.686 180 G C -0.496 174.472 174.900 0.112 0.000 1.181 180 G CA -0.633 44.523 45.100 0.094 0.000 0.762 180 G HN 0.246 nan 8.290 nan 0.000 0.641 181 A N 0.554 123.442 122.820 0.113 0.000 2.346 181 A HA 0.597 4.917 4.320 -0.000 0.000 0.252 181 A C 1.272 178.943 177.584 0.145 0.000 1.089 181 A CA 1.024 53.122 52.037 0.102 0.000 0.797 181 A CB 0.176 19.230 19.000 0.091 0.000 1.047 181 A HN 0.892 nan 8.150 nan 0.000 0.494 182 D N -1.179 119.334 120.400 0.188 0.000 2.218 182 D HA 0.109 4.749 4.640 -0.000 0.000 0.204 182 D C -0.007 176.469 176.300 0.294 0.000 0.976 182 D CA 1.480 55.604 54.000 0.207 0.000 0.853 182 D CB -0.048 40.839 40.800 0.145 0.000 0.939 182 D HN 0.246 nan 8.370 nan 0.000 0.481 183 L N -0.734 120.691 121.223 0.336 0.000 2.543 183 L HA 0.615 4.955 4.340 -0.000 0.000 0.265 183 L C -1.978 174.969 176.870 0.127 0.000 0.945 183 L CA -0.783 54.222 54.840 0.276 0.000 0.869 183 L CB 1.719 44.011 42.059 0.390 0.000 1.294 183 L HN -0.148 nan 8.230 nan 0.000 0.405 184 A N 3.734 126.594 122.820 0.067 0.000 2.374 184 A HA 0.716 5.036 4.320 -0.000 0.000 0.305 184 A C -0.970 176.590 177.584 -0.040 0.000 1.053 184 A CA -0.461 51.593 52.037 0.028 0.000 0.726 184 A CB 1.355 20.408 19.000 0.088 0.000 1.229 184 A HN 0.747 nan 8.150 nan 0.000 0.431 185 C N 3.201 122.459 119.300 -0.070 0.000 2.146 185 C HA 0.433 4.893 4.460 -0.000 0.000 0.338 185 C C 0.429 175.375 174.990 -0.073 0.000 1.074 185 C CA -0.662 58.290 59.018 -0.111 0.000 1.527 185 C CB -1.053 26.602 27.740 -0.140 0.000 1.915 185 C HN 0.566 nan 8.230 nan 0.000 0.453 186 V N 4.470 124.334 119.914 -0.082 0.000 2.415 186 V HA 0.098 4.218 4.120 -0.000 0.000 0.267 186 V C 0.449 176.486 176.094 -0.095 0.000 1.042 186 V CA 0.083 62.334 62.300 -0.081 0.000 1.000 186 V CB 0.293 32.007 31.823 -0.182 0.000 1.015 186 V HN 0.608 nan 8.190 nan 0.000 0.478 187 V N 5.342 125.234 119.914 -0.037 0.000 2.455 187 V HA 0.264 4.384 4.120 -0.000 0.000 0.273 187 V C 0.326 176.400 176.094 -0.033 0.000 1.045 187 V CA -0.113 62.185 62.300 -0.002 0.000 0.976 187 V CB 0.517 32.408 31.823 0.113 0.000 0.993 187 V HN 1.033 nan 8.190 nan 0.000 0.475 188 C N 4.515 123.798 119.300 -0.029 0.000 2.848 188 C HA 0.696 5.155 4.460 -0.000 0.000 0.317 188 C C 0.180 175.191 174.990 0.035 0.000 1.260 188 C CA -1.156 57.849 59.018 -0.023 0.000 1.656 188 C CB 1.900 29.593 27.740 -0.077 0.000 2.174 188 C HN 0.941 nan 8.230 nan 0.000 0.479 189 R N 0.732 121.262 120.500 0.050 0.000 2.294 189 R HA 0.603 4.943 4.340 -0.000 0.000 0.319 189 R C -1.136 175.206 176.300 0.070 0.000 0.984 189 R CA -0.219 55.923 56.100 0.069 0.000 0.861 189 R CB 0.773 31.118 30.300 0.075 0.000 1.104 189 R HN 0.637 nan 8.270 nan 0.000 0.451 190 V N 3.784 123.747 119.914 0.083 0.000 2.529 190 V HA 0.116 4.236 4.120 -0.000 0.000 0.292 190 V C 0.080 176.242 176.094 0.114 0.000 1.028 190 V CA 0.582 62.970 62.300 0.146 0.000 1.074 190 V CB 1.058 32.991 31.823 0.183 0.000 0.958 190 V HN 0.805 nan 8.190 nan 0.000 0.481 191 S N 2.958 118.729 115.700 0.119 0.000 2.689 191 S HA 0.279 4.749 4.470 -0.000 0.000 0.274 191 S C 0.376 175.015 174.600 0.065 0.000 1.176 191 S CA -0.767 57.478 58.200 0.076 0.000 1.014 191 S CB 1.377 64.613 63.200 0.060 0.000 1.071 191 S HN 0.775 nan 8.310 nan 0.000 0.478 192 D N 2.229 122.655 120.400 0.043 0.000 2.264 192 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 192 D C -0.039 176.270 176.300 0.015 0.000 0.966 192 D CA 1.085 55.095 54.000 0.018 0.000 0.864 192 D CB 0.200 41.002 40.800 0.002 0.000 0.933 192 D HN 0.592 nan 8.370 nan 0.000 0.499 193 D N -1.266 119.147 120.400 0.022 0.000 2.386 193 D HA 0.160 4.800 4.640 -0.000 0.000 0.247 193 D C -2.080 174.235 176.300 0.026 0.000 1.336 193 D CA -1.947 52.065 54.000 0.020 0.000 0.976 193 D CB 1.997 42.805 40.800 0.013 0.000 1.257 193 D HN -0.257 nan 8.370 nan 0.000 0.570 194 P HA -0.144 nan 4.420 nan 0.000 0.217 194 P C 1.307 178.624 177.300 0.028 0.000 1.148 194 P CA 1.098 64.218 63.100 0.033 0.000 0.828 194 P CB 0.225 31.947 31.700 0.037 0.000 0.783 195 S N -2.292 113.422 115.700 0.023 0.000 2.547 195 S HA -0.032 4.438 4.470 -0.000 0.000 0.235 195 S C 0.866 175.476 174.600 0.017 0.000 0.980 195 S CA 0.622 58.833 58.200 0.019 0.000 0.941 195 S CB -0.685 62.525 63.200 0.017 0.000 0.763 195 S HN -0.027 nan 8.310 nan 0.000 0.532 196 K N 2.867 123.278 120.400 0.018 0.000 2.138 196 K HA 0.508 4.828 4.320 -0.000 0.000 0.263 196 K C -2.651 173.960 176.600 0.018 0.000 0.965 196 K CA -2.572 53.724 56.287 0.016 0.000 0.868 196 K CB 0.636 33.145 32.500 0.014 0.000 1.083 196 K HN 0.168 nan 8.250 nan 0.000 0.443 197 P HA 0.045 nan 4.420 nan 0.000 0.274 197 P C -0.440 176.869 177.300 0.015 0.000 1.237 197 P CA -0.428 62.681 63.100 0.016 0.000 0.793 197 P CB 0.704 32.411 31.700 0.012 0.000 0.977 198 Q N 0.852 120.661 119.800 0.016 0.000 2.395 198 Q HA -0.015 4.325 4.340 -0.000 0.000 0.271 198 Q C -0.089 175.916 176.000 0.008 0.000 1.026 198 Q CA -0.112 55.699 55.803 0.014 0.000 0.900 198 Q CB 0.234 28.980 28.738 0.014 0.000 1.266 198 Q HN 0.324 nan 8.270 nan 0.000 0.430 199 D N 5.012 125.415 120.400 0.006 0.000 2.346 199 D HA 0.058 4.698 4.640 -0.000 0.000 0.260 199 D C -1.653 174.645 176.300 -0.004 0.000 1.252 199 D CA -1.967 52.034 54.000 0.002 0.000 0.895 199 D CB 1.187 41.989 40.800 0.003 0.000 1.097 199 D HN 0.413 nan 8.370 nan 0.000 0.489 200 P HA -0.074 nan 4.420 nan 0.000 0.239 200 P C 0.139 177.433 177.300 -0.011 0.000 1.184 200 P CA 0.713 63.807 63.100 -0.009 0.000 0.760 200 P CB 0.239 31.935 31.700 -0.006 0.000 0.884 201 N N -0.853 117.842 118.700 -0.009 0.000 2.236 201 N HA 0.089 4.829 4.740 -0.000 0.000 0.196 201 N C -0.050 175.452 175.510 -0.013 0.000 1.114 201 N CA -0.224 52.820 53.050 -0.010 0.000 0.859 201 N CB 0.819 39.302 38.487 -0.007 0.000 0.982 201 N HN -0.019 nan 8.380 nan 0.000 0.493 202 V N 1.131 121.037 119.914 -0.014 0.000 2.448 202 V HA 0.186 4.306 4.120 -0.000 0.000 0.295 202 V C -1.080 174.997 176.094 -0.029 0.000 1.025 202 V CA -0.838 61.452 62.300 -0.017 0.000 0.859 202 V CB 1.489 33.307 31.823 -0.009 0.000 0.988 202 V HN 0.049 nan 8.190 nan 0.000 0.431 203 D N 7.904 128.283 120.400 -0.036 0.000 2.472 203 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 203 D C -1.604 174.653 176.300 -0.071 0.000 1.174 203 D CA -0.996 52.970 54.000 -0.057 0.000 0.883 203 D CB 1.733 42.499 40.800 -0.056 0.000 1.149 203 D HN 0.376 nan 8.370 nan 0.000 0.488 204 P HA -0.188 nan 4.420 nan 0.000 0.216 204 P C 0.956 178.163 177.300 -0.154 0.000 1.150 204 P CA 1.922 64.950 63.100 -0.120 0.000 0.843 204 P CB 0.052 31.652 31.700 -0.167 0.000 0.787 205 A N -0.644 122.061 122.820 -0.193 0.000 2.070 205 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 205 A C 2.028 179.554 177.584 -0.096 0.000 1.159 205 A CA 2.149 54.072 52.037 -0.190 0.000 0.656 205 A CB -1.772 17.122 19.000 -0.178 0.000 0.800 205 A HN 0.367 nan 8.150 nan 0.000 0.453 206 T N -3.970 110.544 114.554 -0.065 0.000 3.129 206 T HA 0.090 4.440 4.350 -0.000 0.000 0.251 206 T C 0.999 175.694 174.700 -0.008 0.000 1.117 206 T CA 0.621 62.703 62.100 -0.030 0.000 1.034 206 T CB 0.106 68.962 68.868 -0.021 0.000 0.968 206 T HN 0.343 nan 8.240 nan 0.000 0.526 207 Q N 0.530 120.323 119.800 -0.012 0.000 2.159 207 Q HA 0.378 4.718 4.340 -0.000 0.000 0.217 207 Q C -0.217 175.800 176.000 0.028 0.000 0.818 207 Q CA -0.225 55.589 55.803 0.019 0.000 1.008 207 Q CB 0.626 29.377 28.738 0.022 0.000 1.148 207 Q HN 0.480 nan 8.270 nan 0.000 0.491 208 I N 1.399 121.980 120.570 0.020 0.000 2.395 208 I HA 0.484 4.654 4.170 -0.000 0.000 0.289 208 I C 0.141 176.262 176.117 0.007 0.000 1.023 208 I CA -0.630 60.704 61.300 0.058 0.000 1.350 208 I CB 0.807 38.876 38.000 0.114 0.000 1.409 208 I HN -0.101 nan 8.210 nan 0.000 0.507 209 A N 6.538 129.337 122.820 -0.035 0.000 2.414 209 A HA 0.751 5.071 4.320 -0.000 0.000 0.306 209 A C -1.039 176.443 177.584 -0.169 0.000 1.054 209 A CA -0.514 51.425 52.037 -0.163 0.000 0.724 209 A CB 1.735 20.532 19.000 -0.340 0.000 1.267 209 A HN 0.363 nan 8.150 nan 0.000 0.418 210 V N 3.735 123.528 119.914 -0.201 0.000 2.357 210 V HA 0.358 4.478 4.120 -0.000 0.000 0.284 210 V C -0.699 175.231 176.094 -0.272 0.000 1.018 210 V CA -0.546 61.642 62.300 -0.187 0.000 0.841 210 V CB 1.142 32.883 31.823 -0.136 0.000 0.991 210 V HN 0.713 nan 8.190 nan 0.000 0.437 211 L N 5.945 127.005 121.223 -0.272 0.000 2.282 211 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 211 L C -0.082 176.658 176.870 -0.216 0.000 1.033 211 L CA -0.276 54.395 54.840 -0.281 0.000 0.807 211 L CB 1.634 43.532 42.059 -0.269 0.000 1.209 211 L HN 0.482 nan 8.230 nan 0.000 0.423 212 L N 4.238 125.310 121.223 -0.252 0.000 2.319 212 L HA 0.452 4.792 4.340 -0.000 0.000 0.280 212 L C -0.208 176.597 176.870 -0.109 0.000 1.099 212 L CA -0.438 54.230 54.840 -0.287 0.000 0.828 212 L CB 1.397 43.055 42.059 -0.669 0.000 1.150 212 L HN 0.247 nan 8.230 nan 0.000 0.442 213 V N 2.045 121.951 119.914 -0.013 0.000 2.588 213 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 213 V C 0.221 176.404 176.094 0.149 0.000 1.042 213 V CA -0.499 61.879 62.300 0.130 0.000 0.877 213 V CB 2.116 34.044 31.823 0.176 0.000 0.996 213 V HN 0.920 nan 8.190 nan 0.000 0.425 214 T N 1.368 116.038 114.554 0.193 0.000 2.883 214 T HA 0.491 4.841 4.350 -0.000 0.000 0.284 214 T C 0.864 175.642 174.700 0.131 0.000 1.041 214 T CA -0.783 61.429 62.100 0.186 0.000 1.007 214 T CB 1.763 70.775 68.868 0.241 0.000 1.220 214 T HN 0.425 nan 8.240 nan 0.000 0.552 215 R N 0.009 120.573 120.500 0.106 0.000 2.193 215 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 215 R C 2.317 178.657 176.300 0.067 0.000 1.110 215 R CA 1.432 57.571 56.100 0.065 0.000 0.988 215 R CB -0.183 30.163 30.300 0.076 0.000 0.871 215 R HN 0.824 nan 8.270 nan 0.000 0.458 216 E N 0.233 120.484 120.200 0.086 0.000 2.046 216 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 216 E C 1.311 177.954 176.600 0.072 0.000 0.982 216 E CA 1.545 57.988 56.400 0.071 0.000 0.800 216 E CB 0.163 29.907 29.700 0.073 0.000 0.756 216 E HN 0.190 nan 8.360 nan 0.000 0.449 217 T N 1.566 116.186 114.554 0.111 0.000 2.699 217 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 217 T C 1.913 176.662 174.700 0.082 0.000 1.036 217 T CA 1.537 63.698 62.100 0.102 0.000 1.147 217 T CB -0.240 68.757 68.868 0.214 0.000 0.862 217 T HN 0.206 nan 8.240 nan 0.000 0.446 218 I N 1.251 121.939 120.570 0.197 0.000 2.315 218 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 218 I C 2.894 179.066 176.117 0.091 0.000 1.117 218 I CA 0.957 62.382 61.300 0.209 0.000 1.404 218 I CB -0.439 37.492 38.000 -0.115 0.000 1.071 218 I HN 0.203 nan 8.210 nan 0.000 0.419 219 A N 0.776 123.627 122.820 0.052 0.000 1.969 219 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 219 A C 1.912 179.508 177.584 0.020 0.000 1.169 219 A CA 1.600 53.662 52.037 0.041 0.000 0.635 219 A CB -0.887 18.135 19.000 0.037 0.000 0.810 219 A HN 0.502 nan 8.150 nan 0.000 0.445 220 N N -0.054 118.643 118.700 -0.005 0.000 2.521 220 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 220 N C 0.022 175.488 175.510 -0.072 0.000 1.146 220 N CA -0.109 52.920 53.050 -0.036 0.000 0.893 220 N CB 0.073 38.535 38.487 -0.041 0.000 0.975 220 N HN 0.428 nan 8.380 nan 0.000 0.451 221 N N 0.913 119.569 118.700 -0.074 0.000 2.483 221 N HA 0.207 4.947 4.740 -0.000 0.000 0.285 221 N C -0.468 175.064 175.510 0.038 0.000 1.210 221 N CA -0.379 52.626 53.050 -0.076 0.000 0.931 221 N CB 1.335 39.679 38.487 -0.238 0.000 1.220 221 N HN -0.069 nan 8.380 nan 0.000 0.542 222 K N 1.060 121.503 120.400 0.071 0.000 2.380 222 K HA -0.038 4.282 4.320 -0.000 0.000 0.267 222 K C 1.246 177.927 176.600 0.135 0.000 0.990 222 K CA -0.009 56.332 56.287 0.090 0.000 0.946 222 K CB 1.105 33.661 32.500 0.092 0.000 0.937 222 K HN 0.509 nan 8.250 nan 0.000 0.491 223 K N 1.900 122.364 120.400 0.108 0.000 2.020 223 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 223 K C 0.670 177.353 176.600 0.139 0.000 1.050 223 K CA 2.499 58.858 56.287 0.119 0.000 0.929 223 K CB -0.094 32.456 32.500 0.083 0.000 0.714 223 K HN 0.702 nan 8.250 nan 0.000 0.443 224 D N -0.780 119.688 120.400 0.112 0.000 2.325 224 D HA 0.064 4.704 4.640 -0.000 0.000 0.234 224 D C 0.894 177.273 176.300 0.130 0.000 1.122 224 D CA 0.319 54.373 54.000 0.091 0.000 0.850 224 D CB 0.656 41.488 40.800 0.052 0.000 0.921 224 D HN 0.274 nan 8.370 nan 0.000 0.513 225 A N -0.351 122.608 122.820 0.231 0.000 2.132 225 A HA 0.119 4.439 4.320 -0.000 0.000 0.213 225 A C 0.026 177.879 177.584 0.449 0.000 1.154 225 A CA 0.094 52.341 52.037 0.350 0.000 0.753 225 A CB -0.264 18.990 19.000 0.424 0.000 0.826 225 A HN 0.410 nan 8.150 nan 0.000 0.469 226 Y N 0.988 121.388 120.300 0.167 0.000 2.333 226 Y HA 0.470 5.020 4.550 -0.000 0.000 0.324 226 Y C -0.898 174.921 175.900 -0.136 0.000 1.033 226 Y CA -0.832 57.222 58.100 -0.077 0.000 1.224 226 Y CB 0.846 39.319 38.460 0.021 0.000 1.120 226 Y HN 0.421 nan 8.280 nan 0.000 0.457 227 Q N 5.948 125.462 119.800 -0.478 0.000 2.345 227 Q HA 0.534 4.874 4.340 -0.000 0.000 0.275 227 Q C -1.755 173.891 176.000 -0.591 0.000 1.063 227 Q CA -1.190 54.382 55.803 -0.385 0.000 0.819 227 Q CB 2.651 31.262 28.738 -0.211 0.000 1.356 227 Q HN 0.498 nan 8.270 nan 0.000 0.418 228 I N 3.872 124.128 120.570 -0.524 0.000 2.312 228 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 228 I C 0.941 176.777 176.117 -0.468 0.000 1.031 228 I CA -0.305 60.619 61.300 -0.626 0.000 1.293 228 I CB 0.624 38.058 38.000 -0.943 0.000 1.403 228 I HN 0.842 nan 8.210 nan 0.000 0.484 229 L N 5.284 126.226 121.223 -0.468 0.000 2.307 229 L HA 0.293 4.633 4.340 -0.000 0.000 0.211 229 L C 1.063 177.804 176.870 -0.215 0.000 1.099 229 L CA 0.262 54.887 54.840 -0.358 0.000 0.816 229 L CB -0.060 41.671 42.059 -0.546 0.000 0.952 229 L HN 0.775 nan 8.230 nan 0.000 0.455 230 G N -0.340 108.338 108.800 -0.204 0.000 2.547 230 G HA2 0.391 4.351 3.960 -0.000 0.000 0.291 230 G HA3 0.391 4.351 3.960 -0.000 0.000 0.291 230 G C -1.894 172.929 174.900 -0.127 0.000 1.471 230 G CA -0.383 44.646 45.100 -0.118 0.000 0.798 230 G HN -0.144 nan 8.290 nan 0.000 0.504 231 E N 0.944 121.108 120.200 -0.060 0.000 2.331 231 E HA 0.582 4.932 4.350 -0.000 0.000 0.243 231 E C -2.395 174.170 176.600 -0.058 0.000 0.925 231 E CA -1.690 54.692 56.400 -0.029 0.000 0.760 231 E CB 1.335 31.105 29.700 0.117 0.000 1.254 231 E HN 0.255 nan 8.360 nan 0.000 0.419 232 P HA -0.006 nan 4.420 nan 0.000 0.262 232 P C -0.785 176.500 177.300 -0.026 0.000 1.182 232 P CA 0.200 63.218 63.100 -0.137 0.000 0.761 232 P CB 0.538 32.040 31.700 -0.331 0.000 0.795 233 E N 3.320 123.522 120.200 0.003 0.000 2.105 233 E HA 0.181 4.531 4.350 -0.000 0.000 0.285 233 E C 0.074 176.710 176.600 0.059 0.000 1.055 233 E CA -0.191 56.228 56.400 0.032 0.000 0.843 233 E CB 0.513 30.228 29.700 0.025 0.000 1.067 233 E HN 0.393 nan 8.360 nan 0.000 0.398 234 L N 1.011 122.280 121.223 0.076 0.000 2.421 234 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 234 L C 1.582 178.480 176.870 0.046 0.000 1.122 234 L CA -0.495 54.402 54.840 0.094 0.000 0.804 234 L CB 0.722 42.855 42.059 0.122 0.000 1.150 234 L HN 0.489 nan 8.230 nan 0.000 0.457 235 A N 1.453 124.291 122.820 0.030 0.000 1.929 235 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 235 A C 0.958 178.521 177.584 -0.035 0.000 1.176 235 A CA 1.375 53.409 52.037 -0.005 0.000 0.628 235 A CB -0.416 18.574 19.000 -0.017 0.000 0.816 235 A HN 0.839 nan 8.150 nan 0.000 0.444 236 G N -4.162 104.612 108.800 -0.044 0.000 2.798 236 G HA2 0.474 4.434 3.960 -0.000 0.000 0.286 236 G HA3 0.474 4.434 3.960 -0.000 0.000 0.286 236 G C -0.525 174.342 174.900 -0.055 0.000 1.389 236 G CA -0.253 44.770 45.100 -0.129 0.000 0.894 236 G HN 0.377 nan 8.290 nan 0.000 0.488 237 H N -0.730 118.294 119.070 -0.076 0.000 2.677 237 H HA -0.167 4.389 4.556 -0.000 0.000 0.321 237 H C 1.630 176.920 175.328 -0.064 0.000 1.171 237 H CA 1.037 57.047 56.048 -0.062 0.000 1.139 237 H CB -1.270 28.467 29.762 -0.040 0.000 1.515 237 H HN 0.708 nan 8.280 nan 0.000 0.423 238 I N -1.985 118.561 120.570 -0.040 0.000 3.241 238 I HA -0.073 4.097 4.170 -0.000 0.000 0.280 238 I C 1.852 177.930 176.117 -0.065 0.000 1.320 238 I CA 1.569 62.848 61.300 -0.035 0.000 1.413 238 I CB -0.012 37.969 38.000 -0.032 0.000 1.060 238 I HN 0.272 nan 8.210 nan 0.000 0.500 239 T N -1.927 112.555 114.554 -0.120 0.000 3.054 239 T HA 0.164 4.514 4.350 -0.000 0.000 0.255 239 T C 0.867 175.646 174.700 0.131 0.000 1.035 239 T CA 0.218 62.277 62.100 -0.068 0.000 0.941 239 T CB -0.610 68.060 68.868 -0.329 0.000 1.026 239 T HN 0.496 nan 8.240 nan 0.000 0.533 240 T N -0.092 114.493 114.554 0.052 0.000 2.899 240 T HA 0.602 4.952 4.350 -0.000 0.000 0.284 240 T C -0.182 174.374 174.700 -0.240 0.000 1.004 240 T CA -0.653 61.416 62.100 -0.053 0.000 1.043 240 T CB 1.612 70.486 68.868 0.009 0.000 1.013 240 T HN 0.125 nan 8.240 nan 0.000 0.518 241 S N -0.101 115.242 115.700 -0.595 0.000 2.500 241 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 241 S C -0.022 174.400 174.600 -0.296 0.000 1.092 241 S CA -0.323 57.548 58.200 -0.548 0.000 1.030 241 S CB 0.907 63.453 63.200 -1.089 0.000 1.031 241 S HN 1.395 nan 8.310 nan 0.000 0.483 242 G N 4.819 113.534 108.800 -0.141 0.000 4.485 242 G HA2 0.299 4.259 3.960 -0.000 0.000 0.238 242 G HA3 0.299 4.259 3.960 -0.000 0.000 0.238 242 G C -3.031 171.788 174.900 -0.136 0.000 1.216 242 G CA -0.708 44.351 45.100 -0.069 0.000 0.611 242 G HN 0.549 nan 8.290 nan 0.000 0.422 243 P HA -0.016 nan 4.420 nan 0.000 0.271 243 P C -0.661 176.503 177.300 -0.225 0.000 1.238 243 P CA 0.078 63.058 63.100 -0.200 0.000 0.794 243 P CB 0.912 32.460 31.700 -0.255 0.000 0.959 244 H N -0.181 118.666 119.070 -0.372 0.000 2.640 244 H HA 0.288 4.844 4.556 -0.000 0.000 0.297 244 H C -0.674 174.406 175.328 -0.413 0.000 1.073 244 H CA -0.467 55.360 56.048 -0.368 0.000 1.305 244 H CB 0.229 29.794 29.762 -0.328 0.000 1.404 244 H HN 0.236 nan 8.280 nan 0.000 0.459 245 T N 6.090 120.439 114.554 -0.341 0.000 2.823 245 T HA 0.257 4.607 4.350 -0.000 0.000 0.279 245 T C -0.236 174.067 174.700 -0.663 0.000 0.998 245 T CA -0.788 60.918 62.100 -0.656 0.000 0.994 245 T CB 1.438 69.817 68.868 -0.814 0.000 0.960 245 T HN 0.595 nan 8.240 nan 0.000 0.448 246 R N 2.440 122.495 120.500 -0.741 0.000 2.393 246 R HA 0.468 4.808 4.340 -0.000 0.000 0.315 246 R C -1.507 174.485 176.300 -0.513 0.000 0.952 246 R CA -0.606 55.186 56.100 -0.513 0.000 0.842 246 R CB 0.459 30.529 30.300 -0.384 0.000 1.163 246 R HN 0.440 nan 8.270 nan 0.000 0.450 247 F N 2.425 122.271 119.950 -0.173 0.000 2.405 247 F HA 0.307 4.834 4.527 -0.000 0.000 0.355 247 F C 0.143 175.953 175.800 0.017 0.000 1.121 247 F CA -0.143 57.809 58.000 -0.081 0.000 1.112 247 F CB 2.255 41.208 39.000 -0.078 0.000 1.126 247 F HN 0.320 nan 8.300 nan 0.000 0.481 248 T N 3.848 118.563 114.554 0.269 0.000 2.892 248 T HA 0.227 4.577 4.350 -0.000 0.000 0.311 248 T C -0.465 174.373 174.700 0.231 0.000 1.033 248 T CA -0.716 61.498 62.100 0.189 0.000 0.991 248 T CB 0.882 69.817 68.868 0.113 0.000 0.981 248 T HN 0.470 nan 8.240 nan 0.000 0.457 249 E N 1.107 121.411 120.200 0.174 0.000 2.297 249 E HA -0.204 4.146 4.350 -0.000 0.000 0.228 249 E C -0.616 176.076 176.600 0.152 0.000 1.213 249 E CA 0.362 56.823 56.400 0.101 0.000 0.712 249 E CB -1.283 28.486 29.700 0.114 0.000 1.202 249 E HN 0.738 nan 8.360 nan 0.000 0.376 250 F N 1.988 121.983 119.950 0.075 0.000 2.413 250 F HA 0.127 4.654 4.527 -0.000 0.000 0.359 250 F C 1.061 176.883 175.800 0.036 0.000 1.122 250 F CA -0.428 57.666 58.000 0.156 0.000 1.160 250 F CB 0.422 39.611 39.000 0.316 0.000 1.146 250 F HN -0.014 nan 8.300 nan 0.000 0.514 251 H N 5.529 124.449 119.070 -0.249 0.000 2.646 251 H HA 0.378 4.934 4.556 -0.000 0.000 0.325 251 H C -0.592 174.625 175.328 -0.186 0.000 1.075 251 H CA -0.269 55.694 56.048 -0.142 0.000 1.421 251 H CB 1.419 31.108 29.762 -0.121 0.000 1.461 251 H HN 0.302 nan 8.280 nan 0.000 0.525 252 V N 6.207 126.198 119.914 0.130 0.000 2.577 252 V HA 0.181 4.301 4.120 -0.000 0.000 0.303 252 V C -2.208 174.023 176.094 0.229 0.000 1.042 252 V CA -2.028 60.365 62.300 0.154 0.000 0.872 252 V CB 1.981 33.911 31.823 0.180 0.000 0.998 252 V HN 0.636 nan 8.190 nan 0.000 0.423 253 P HA -0.002 nan 4.420 nan 0.000 0.264 253 P C 0.596 178.074 177.300 0.296 0.000 1.183 253 P CA 0.373 63.601 63.100 0.214 0.000 0.763 253 P CB 0.389 32.186 31.700 0.162 0.000 0.807 254 H N 3.955 123.187 119.070 0.269 0.000 2.457 254 H HA -0.180 4.376 4.556 -0.000 0.000 0.297 254 H C 1.598 177.065 175.328 0.232 0.000 1.092 254 H CA 1.964 58.230 56.048 0.363 0.000 1.309 254 H CB 0.118 30.031 29.762 0.252 0.000 1.382 254 H HN 0.475 nan 8.280 nan 0.000 0.535 255 E N -0.460 119.825 120.200 0.141 0.000 2.347 255 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 255 E C 0.891 177.532 176.600 0.068 0.000 1.008 255 E CA 0.901 57.348 56.400 0.078 0.000 0.852 255 E CB -0.165 29.616 29.700 0.135 0.000 0.783 255 E HN 0.426 nan 8.360 nan 0.000 0.505 256 N N 0.788 119.527 118.700 0.065 0.000 2.461 256 N HA 0.101 4.841 4.740 -0.000 0.000 0.188 256 N C 0.068 175.471 175.510 -0.179 0.000 1.134 256 N CA 0.130 53.176 53.050 -0.008 0.000 0.878 256 N CB 0.049 38.555 38.487 0.032 0.000 0.972 256 N HN 0.221 nan 8.380 nan 0.000 0.456 257 L N 1.399 122.490 121.223 -0.220 0.000 2.433 257 L HA 0.012 4.352 4.340 -0.000 0.000 0.275 257 L C 1.335 178.061 176.870 -0.241 0.000 1.128 257 L CA -0.184 54.461 54.840 -0.326 0.000 0.875 257 L CB 0.660 42.477 42.059 -0.405 0.000 1.171 257 L HN 0.094 nan 8.230 nan 0.000 0.463 258 L N 6.639 127.713 121.223 -0.247 0.000 2.012 258 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 258 L C 0.774 177.562 176.870 -0.137 0.000 1.073 258 L CA 1.778 56.503 54.840 -0.193 0.000 0.748 258 L CB -0.076 41.867 42.059 -0.193 0.000 0.891 258 L HN 0.896 nan 8.230 nan 0.000 0.431 259 C N -5.577 113.639 119.300 -0.140 0.000 3.266 259 C HA 0.478 4.938 4.460 -0.000 0.000 0.369 259 C C 0.172 175.114 174.990 -0.080 0.000 1.580 259 C CA -0.595 58.368 59.018 -0.091 0.000 1.165 259 C CB 0.599 28.294 27.740 -0.075 0.000 1.835 259 C HN 0.173 nan 8.230 nan 0.000 0.433 260 T N 3.256 117.789 114.554 -0.034 0.000 2.817 260 T HA 0.391 4.741 4.350 -0.000 0.000 0.295 260 T C -2.438 172.256 174.700 -0.011 0.000 0.958 260 T CA 0.400 62.502 62.100 0.004 0.000 1.157 260 T CB -0.062 68.820 68.868 0.023 0.000 0.898 260 T HN 0.651 nan 8.240 nan 0.000 0.536 261 P HA 0.336 nan 4.420 nan 0.000 0.265 261 P C 0.719 178.025 177.300 0.010 0.000 1.187 261 P CA 0.847 63.940 63.100 -0.012 0.000 0.766 261 P CB 0.341 32.061 31.700 0.034 0.000 0.820 262 G N 0.694 109.493 108.800 -0.002 0.000 2.306 262 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.262 262 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.262 262 G C 0.080 174.969 174.900 -0.018 0.000 1.263 262 G CA -0.602 44.495 45.100 -0.005 0.000 1.088 262 G HN 0.351 nan 8.290 nan 0.000 0.489 263 L N 0.730 121.938 121.223 -0.025 0.000 2.129 263 L HA 0.002 4.342 4.340 -0.000 0.000 0.212 263 L C 2.817 179.664 176.870 -0.038 0.000 1.087 263 L CA 2.828 57.647 54.840 -0.035 0.000 0.757 263 L CB -0.614 41.425 42.059 -0.033 0.000 0.896 263 L HN 0.684 nan 8.230 nan 0.000 0.434 264 K N -1.139 119.239 120.400 -0.036 0.000 2.057 264 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 264 K C 2.108 178.678 176.600 -0.050 0.000 1.050 264 K CA 1.116 57.373 56.287 -0.050 0.000 0.935 264 K CB -0.051 32.423 32.500 -0.043 0.000 0.715 264 K HN 0.296 nan 8.250 nan 0.000 0.439 265 A N 0.965 123.765 122.820 -0.034 0.000 1.873 265 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 265 A C 2.114 179.714 177.584 0.026 0.000 1.186 265 A CA 1.310 53.332 52.037 -0.024 0.000 0.616 265 A CB -0.609 18.373 19.000 -0.029 0.000 0.823 265 A HN 0.353 nan 8.150 nan 0.000 0.442 266 Q N 0.055 119.882 119.800 0.046 0.000 2.124 266 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 266 Q C 2.044 178.091 176.000 0.078 0.000 0.977 266 Q CA 1.918 57.789 55.803 0.113 0.000 0.850 266 Q CB -0.717 28.026 28.738 0.007 0.000 0.901 266 Q HN 0.572 nan 8.270 nan 0.000 0.429 267 G N 0.996 109.788 108.800 -0.014 0.000 2.422 267 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 267 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 267 G C 1.584 176.411 174.900 -0.121 0.000 1.146 267 G CA 0.627 45.671 45.100 -0.093 0.000 0.769 267 G HN 0.343 nan 8.290 nan 0.000 0.547 268 L N 0.226 121.398 121.223 -0.086 0.000 2.056 268 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 268 L C 2.996 179.828 176.870 -0.064 0.000 1.078 268 L CA 0.457 55.235 54.840 -0.102 0.000 0.749 268 L CB -0.474 41.529 42.059 -0.094 0.000 0.901 268 L HN 0.095 nan 8.230 nan 0.000 0.433 269 V N -0.151 119.776 119.914 0.021 0.000 2.343 269 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 269 V C 2.455 178.643 176.094 0.158 0.000 1.051 269 V CA 1.950 64.293 62.300 0.073 0.000 1.036 269 V CB -0.498 31.451 31.823 0.210 0.000 0.654 269 V HN 0.491 nan 8.190 nan 0.000 0.451 270 E N 0.572 120.888 120.200 0.194 0.000 2.051 270 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 270 E C 2.352 179.103 176.600 0.253 0.000 0.991 270 E CA 2.075 58.630 56.400 0.258 0.000 0.799 270 E CB -0.137 29.712 29.700 0.248 0.000 0.748 270 E HN 0.808 nan 8.360 nan 0.000 0.449 271 T N -1.083 113.503 114.554 0.053 0.000 2.746 271 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 271 T C 2.000 176.750 174.700 0.083 0.000 1.039 271 T CA 1.244 63.351 62.100 0.011 0.000 1.142 271 T CB -0.400 68.243 68.868 -0.374 0.000 0.866 271 T HN 0.221 nan 8.240 nan 0.000 0.444 272 A N 1.172 123.970 122.820 -0.037 0.000 1.858 272 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 272 A C 2.103 179.603 177.584 -0.139 0.000 1.190 272 A CA 1.384 53.335 52.037 -0.144 0.000 0.617 272 A CB -1.302 17.521 19.000 -0.296 0.000 0.827 272 A HN 0.533 nan 8.150 nan 0.000 0.443 273 F N 0.302 120.220 119.950 -0.054 0.000 2.365 273 F HA 0.102 4.629 4.527 -0.000 0.000 0.300 273 F C 1.879 177.664 175.800 -0.025 0.000 1.090 273 F CA 0.148 58.097 58.000 -0.086 0.000 1.408 273 F CB -0.112 38.802 39.000 -0.143 0.000 1.060 273 F HN 0.275 nan 8.300 nan 0.000 0.534 277 A N 2.231 125.050 122.820 -0.002 0.000 1.940 277 A HA 0.403 4.723 4.320 -0.000 0.000 0.219 277 A C 2.369 179.949 177.584 -0.006 0.000 1.176 277 A CA 2.321 54.351 52.037 -0.012 0.000 0.631 277 A CB -1.339 17.667 19.000 0.010 0.000 0.814 277 A HN 1.432 nan 8.150 nan 0.000 0.446 278 A N -0.748 122.076 122.820 0.007 0.000 1.970 278 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 278 A C 2.075 179.670 177.584 0.018 0.000 1.170 278 A CA 1.158 53.206 52.037 0.019 0.000 0.645 278 A CB -0.385 18.633 19.000 0.030 0.000 0.816 278 A HN 0.454 nan 8.150 nan 0.000 0.447 279 L N 0.217 121.441 121.223 0.001 0.000 2.240 279 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 279 L C 2.529 179.361 176.870 -0.063 0.000 1.106 279 L CA 1.032 55.867 54.840 -0.009 0.000 0.793 279 L CB -0.432 41.624 42.059 -0.005 0.000 0.927 279 L HN 0.419 nan 8.230 nan 0.000 0.446 280 V N -2.601 117.269 119.914 -0.074 0.000 2.568 280 V HA -0.116 4.004 4.120 -0.000 0.000 0.253 280 V C 2.302 178.287 176.094 -0.181 0.000 1.072 280 V CA 1.782 64.019 62.300 -0.105 0.000 1.084 280 V CB -1.702 30.124 31.823 0.006 0.000 0.676 280 V HN 0.382 nan 8.190 nan 0.000 0.469 281 G N 0.485 109.228 108.800 -0.095 0.000 2.442 281 G HA2 0.031 3.991 3.960 -0.000 0.000 0.219 281 G HA3 0.031 3.991 3.960 -0.000 0.000 0.219 281 G C 0.978 175.803 174.900 -0.124 0.000 1.141 281 G CA 0.846 45.894 45.100 -0.086 0.000 0.763 281 G HN 1.055 nan 8.290 nan 0.000 0.554 285 I N 1.438 121.923 120.570 -0.141 0.000 2.208 285 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 285 I C 2.615 178.737 176.117 0.010 0.000 1.097 285 I CA 1.690 62.956 61.300 -0.057 0.000 1.363 285 I CB -0.306 37.661 38.000 -0.054 0.000 1.051 285 I HN 0.461 nan 8.210 nan 0.000 0.413 286 G N 0.066 108.885 108.800 0.032 0.000 2.418 286 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 286 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 286 G C 1.667 176.669 174.900 0.171 0.000 1.158 286 G CA 1.393 46.577 45.100 0.139 0.000 0.771 286 G HN 0.289 nan 8.290 nan 0.000 0.545 287 T N 1.510 116.181 114.554 0.195 0.000 2.777 287 T HA 0.090 4.440 4.350 -0.000 0.000 0.266 287 T C 2.804 177.602 174.700 0.163 0.000 1.040 287 T CA 1.386 63.626 62.100 0.232 0.000 1.141 287 T CB -0.295 68.806 68.868 0.389 0.000 0.868 287 T HN 0.353 nan 8.240 nan 0.000 0.444 288 A N 1.471 124.373 122.820 0.137 0.000 1.930 288 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 288 A C 2.293 179.964 177.584 0.146 0.000 1.175 288 A CA 1.374 53.484 52.037 0.122 0.000 0.627 288 A CB -0.511 18.528 19.000 0.064 0.000 0.815 288 A HN 0.363 nan 8.150 nan 0.000 0.443 289 R N -0.394 120.180 120.500 0.123 0.000 2.081 289 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 289 R C 2.299 178.717 176.300 0.197 0.000 1.131 289 R CA 1.322 57.523 56.100 0.168 0.000 0.960 289 R CB -0.361 30.011 30.300 0.120 0.000 0.856 289 R HN 0.455 nan 8.270 nan 0.000 0.436 290 A N 0.473 123.369 122.820 0.126 0.000 1.933 290 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 290 A C 2.254 179.842 177.584 0.008 0.000 1.175 290 A CA 1.715 53.786 52.037 0.055 0.000 0.628 290 A CB -0.569 18.445 19.000 0.024 0.000 0.814 290 A HN 0.527 nan 8.150 nan 0.000 0.444 291 A N -1.126 121.742 122.820 0.079 0.000 1.872 291 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 291 A C 2.056 179.808 177.584 0.281 0.000 1.187 291 A CA 1.349 53.467 52.037 0.136 0.000 0.614 291 A CB -0.730 18.444 19.000 0.290 0.000 0.826 291 A HN 0.732 nan 8.150 nan 0.000 0.442 292 F N 0.941 120.968 119.950 0.128 0.000 2.095 292 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 292 F C 2.121 177.984 175.800 0.104 0.000 1.104 292 F CA 2.326 60.396 58.000 0.117 0.000 1.232 292 F CB -0.184 38.859 39.000 0.072 0.000 0.987 292 F HN 0.335 nan 8.300 nan 0.000 0.475 293 E N -0.076 120.109 120.200 -0.024 0.000 2.106 293 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 293 E C 2.093 178.619 176.600 -0.124 0.000 0.984 293 E CA 1.349 57.655 56.400 -0.156 0.000 0.806 293 E CB -0.222 29.495 29.700 0.028 0.000 0.750 293 E HN 0.610 nan 8.360 nan 0.000 0.458 294 E N 0.151 120.313 120.200 -0.062 0.000 2.150 294 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 294 E C 1.807 178.487 176.600 0.132 0.000 0.985 294 E CA 0.917 57.293 56.400 -0.040 0.000 0.814 294 E CB 0.035 29.573 29.700 -0.271 0.000 0.752 294 E HN 0.232 nan 8.360 nan 0.000 0.466 295 A N 0.609 123.543 122.820 0.190 0.000 1.930 295 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 295 A C 2.049 179.662 177.584 0.047 0.000 1.176 295 A CA 0.786 52.942 52.037 0.198 0.000 0.632 295 A CB -0.491 18.605 19.000 0.159 0.000 0.819 295 A HN 0.368 nan 8.150 nan 0.000 0.445 296 L N 0.055 121.159 121.223 -0.198 0.000 1.994 296 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 296 L C 2.363 179.165 176.870 -0.112 0.000 1.071 296 L CA 1.979 56.656 54.840 -0.271 0.000 0.745 296 L CB -0.564 41.135 42.059 -0.600 0.000 0.892 296 L HN 0.142 nan 8.230 nan 0.000 0.431 297 V N -0.521 119.348 119.914 -0.075 0.000 2.287 297 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 297 V C 2.331 178.428 176.094 0.005 0.000 1.053 297 V CA 2.211 64.488 62.300 -0.038 0.000 1.027 297 V CB -0.866 30.949 31.823 -0.014 0.000 0.646 297 V HN 0.558 nan 8.190 nan 0.000 0.447 298 F N 1.416 121.332 119.950 -0.057 0.000 2.102 298 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 298 F C 2.269 178.035 175.800 -0.057 0.000 1.105 298 F CA 1.613 59.594 58.000 -0.031 0.000 1.239 298 F CB -0.442 38.579 39.000 0.035 0.000 0.991 298 F HN 0.076 nan 8.300 nan 0.000 0.474 299 A N -0.195 122.687 122.820 0.103 0.000 2.015 299 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 299 A C 2.067 179.569 177.584 -0.137 0.000 1.163 299 A CA 1.520 53.559 52.037 0.003 0.000 0.646 299 A CB -0.585 18.459 19.000 0.074 0.000 0.806 299 A HN 0.478 nan 8.150 nan 0.000 0.448 300 K N -0.110 120.175 120.400 -0.191 0.000 2.444 300 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 300 K C 1.251 177.444 176.600 -0.679 0.000 1.024 300 K CA 0.871 56.977 56.287 -0.302 0.000 1.077 300 K CB 0.174 32.565 32.500 -0.182 0.000 0.833 300 K HN 0.604 nan 8.250 nan 0.000 0.517 301 S N -1.206 114.140 115.700 -0.589 0.000 2.787 301 S HA 0.112 4.582 4.470 -0.000 0.000 0.255 301 S C -0.155 174.181 174.600 -0.440 0.000 1.051 301 S CA -0.615 57.224 58.200 -0.601 0.000 1.124 301 S CB 0.549 63.555 63.200 -0.323 0.000 1.104 301 S HN 0.006 nan 8.310 nan 0.000 0.623 302 D N 1.819 121.934 120.400 -0.475 0.000 2.362 302 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 302 D C 0.524 176.725 176.300 -0.164 0.000 1.050 302 D CA 0.023 53.768 54.000 -0.425 0.000 0.839 302 D CB 2.510 42.684 40.800 -1.043 0.000 1.283 302 D HN 0.227 nan 8.370 nan 0.000 0.477 303 T N -0.042 114.485 114.554 -0.046 0.000 3.022 303 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 303 T C 0.814 175.537 174.700 0.038 0.000 1.060 303 T CA -0.198 61.915 62.100 0.021 0.000 1.013 303 T CB 0.229 69.108 68.868 0.019 0.000 0.982 303 T HN 0.476 nan 8.240 nan 0.000 0.508 304 R N 0.991 121.497 120.500 0.012 0.000 3.267 304 R HA -0.156 4.184 4.340 -0.000 0.000 0.254 304 R C 1.252 177.584 176.300 0.054 0.000 0.993 304 R CA 0.720 56.855 56.100 0.058 0.000 0.670 304 R CB -2.584 27.780 30.300 0.107 0.000 1.125 304 R HN 1.141 nan 8.270 nan 0.000 0.434 305 G N -1.992 106.829 108.800 0.035 0.000 2.168 305 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 305 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 305 G C 0.627 175.546 174.900 0.031 0.000 0.977 305 G CA 0.959 46.077 45.100 0.029 0.000 0.659 305 G HN 0.889 nan 8.290 nan 0.000 0.533 306 G N -0.834 107.993 108.800 0.045 0.000 2.583 306 G HA2 0.618 4.578 3.960 -0.000 0.000 0.280 306 G HA3 0.618 4.578 3.960 -0.000 0.000 0.280 306 G C 1.124 176.036 174.900 0.019 0.000 1.376 306 G CA 0.845 45.978 45.100 0.054 0.000 1.043 306 G HN 1.263 nan 8.290 nan 0.000 0.538 307 S N -1.801 113.905 115.700 0.011 0.000 2.540 307 S HA 0.273 4.743 4.470 -0.000 0.000 0.218 307 S C 0.436 174.986 174.600 -0.084 0.000 0.977 307 S CA 0.072 58.254 58.200 -0.029 0.000 0.918 307 S CB -0.350 62.839 63.200 -0.019 0.000 0.806 307 S HN 0.808 nan 8.310 nan 0.000 0.496 308 K N -0.162 120.178 120.400 -0.100 0.000 2.575 308 K HA 0.340 4.660 4.320 -0.000 0.000 0.279 308 K C -1.620 174.874 176.600 -0.177 0.000 0.969 308 K CA -0.916 55.244 56.287 -0.212 0.000 0.868 308 K CB 0.325 32.699 32.500 -0.210 0.000 1.457 308 K HN 0.228 nan 8.250 nan 0.000 0.426 309 H N 1.880 120.859 119.070 -0.152 0.000 3.070 309 H HA 0.028 4.584 4.556 -0.000 0.000 0.313 309 H C 1.423 176.617 175.328 -0.224 0.000 0.997 309 H CA 0.155 56.107 56.048 -0.160 0.000 1.438 309 H CB 0.549 30.232 29.762 -0.131 0.000 1.455 309 H HN 0.619 nan 8.280 nan 0.000 0.575 310 I N 1.497 122.051 120.570 -0.026 0.000 2.623 310 I HA -0.236 3.934 4.170 -0.000 0.000 0.261 310 I C 1.886 177.986 176.117 -0.028 0.000 1.204 310 I CA 1.389 62.685 61.300 -0.008 0.000 1.444 310 I CB -0.304 37.810 38.000 0.191 0.000 1.094 310 I HN 0.634 nan 8.210 nan 0.000 0.451 311 I N 1.454 122.014 120.570 -0.015 0.000 2.756 311 I HA -0.181 3.989 4.170 -0.000 0.000 0.262 311 I C 2.081 178.181 176.117 -0.028 0.000 1.225 311 I CA 1.114 62.418 61.300 0.006 0.000 1.472 311 I CB -0.182 37.822 38.000 0.007 0.000 1.094 311 I HN 0.246 nan 8.210 nan 0.000 0.454 312 E N -0.013 120.108 120.200 -0.132 0.000 2.358 312 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 312 E C 0.201 176.732 176.600 -0.115 0.000 1.010 312 E CA 0.405 56.716 56.400 -0.147 0.000 0.856 312 E CB -0.230 29.342 29.700 -0.214 0.000 0.795 312 E HN 0.541 nan 8.360 nan 0.000 0.504 313 H N 1.568 120.655 119.070 0.027 0.000 2.767 313 H HA 0.124 4.680 4.556 -0.000 0.000 0.316 313 H C 1.316 176.659 175.328 0.024 0.000 1.059 313 H CA 0.109 56.170 56.048 0.022 0.000 1.461 313 H CB 0.831 30.607 29.762 0.024 0.000 1.475 313 H HN 0.127 nan 8.280 nan 0.000 0.531 314 Q N 1.982 121.867 119.800 0.141 0.000 2.152 314 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 314 Q C 1.827 177.873 176.000 0.077 0.000 0.985 314 Q CA 1.655 57.509 55.803 0.084 0.000 0.863 314 Q CB 0.131 28.905 28.738 0.060 0.000 0.904 314 Q HN 0.520 nan 8.270 nan 0.000 0.422 315 S N 0.024 115.771 115.700 0.078 0.000 2.383 315 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 315 S C 2.095 176.735 174.600 0.067 0.000 1.026 315 S CA 1.032 59.264 58.200 0.054 0.000 0.981 315 S CB -0.062 63.154 63.200 0.027 0.000 0.818 315 S HN 0.166 nan 8.310 nan 0.000 0.472 316 V N 1.882 121.856 119.914 0.101 0.000 2.307 316 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 316 V C 2.629 178.776 176.094 0.089 0.000 1.045 316 V CA 1.600 63.961 62.300 0.101 0.000 1.024 316 V CB -1.202 30.706 31.823 0.143 0.000 0.651 316 V HN 0.521 nan 8.190 nan 0.000 0.449 317 A N -0.037 122.835 122.820 0.087 0.000 1.940 317 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 317 A C 1.976 179.606 177.584 0.077 0.000 1.176 317 A CA 2.067 54.150 52.037 0.078 0.000 0.631 317 A CB -0.632 18.406 19.000 0.064 0.000 0.814 317 A HN 0.532 nan 8.150 nan 0.000 0.446 318 D N -0.099 120.340 120.400 0.065 0.000 2.117 318 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 318 D C 1.953 178.290 176.300 0.062 0.000 0.987 318 D CA 1.102 55.135 54.000 0.055 0.000 0.829 318 D CB -0.158 40.668 40.800 0.042 0.000 0.961 318 D HN 0.292 nan 8.370 nan 0.000 0.460 319 K N 0.173 120.613 120.400 0.066 0.000 2.026 319 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 319 K C 2.127 178.797 176.600 0.116 0.000 1.048 319 K CA 0.448 56.777 56.287 0.071 0.000 0.929 319 K CB -0.526 32.008 32.500 0.058 0.000 0.713 319 K HN 0.137 nan 8.250 nan 0.000 0.439 320 L N 1.236 122.546 121.223 0.145 0.000 2.083 320 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 320 L C 2.299 179.328 176.870 0.265 0.000 1.083 320 L CA 1.294 56.286 54.840 0.254 0.000 0.752 320 L CB -0.600 41.576 42.059 0.195 0.000 0.899 320 L HN 0.130 nan 8.230 nan 0.000 0.433 321 I N -0.631 120.029 120.570 0.150 0.000 2.226 321 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 321 I C 1.960 178.104 176.117 0.046 0.000 1.100 321 I CA 1.132 62.488 61.300 0.094 0.000 1.374 321 I CB -0.338 37.701 38.000 0.064 0.000 1.057 321 I HN 0.280 nan 8.210 nan 0.000 0.413 322 D N 0.346 120.776 120.400 0.050 0.000 2.144 322 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 322 D C 2.289 178.587 176.300 -0.004 0.000 0.978 322 D CA 1.186 55.199 54.000 0.022 0.000 0.833 322 D CB -0.355 40.463 40.800 0.029 0.000 0.961 322 D HN 0.380 nan 8.370 nan 0.000 0.470 323 C N 0.789 120.105 119.300 0.027 0.000 2.446 323 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 323 C C 2.577 177.398 174.990 -0.281 0.000 1.275 323 C CA 0.389 59.389 59.018 -0.029 0.000 1.727 323 C CB -0.538 27.313 27.740 0.185 0.000 2.010 323 C HN 0.237 nan 8.230 nan 0.000 0.486 324 K N 1.481 121.653 120.400 -0.379 0.000 2.026 324 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 324 K C 1.605 178.035 176.600 -0.283 0.000 1.048 324 K CA 1.664 57.616 56.287 -0.557 0.000 0.929 324 K CB -0.629 31.691 32.500 -0.300 0.000 0.713 324 K HN 0.500 nan 8.250 nan 0.000 0.439 325 I N 0.299 120.782 120.570 -0.146 0.000 2.226 325 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 325 I C 2.340 178.420 176.117 -0.061 0.000 1.100 325 I CA 1.348 62.597 61.300 -0.085 0.000 1.374 325 I CB -0.219 37.761 38.000 -0.034 0.000 1.057 325 I HN 0.172 nan 8.210 nan 0.000 0.413 326 R N 0.567 121.029 120.500 -0.064 0.000 2.091 326 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 326 R C 2.306 178.563 176.300 -0.070 0.000 1.136 326 R CA 1.320 57.394 56.100 -0.044 0.000 0.959 326 R CB -0.431 29.814 30.300 -0.093 0.000 0.856 326 R HN 0.324 nan 8.270 nan 0.000 0.437 327 L N 0.144 121.275 121.223 -0.153 0.000 2.056 327 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 327 L C 2.460 179.235 176.870 -0.160 0.000 1.078 327 L CA 1.171 55.909 54.840 -0.170 0.000 0.749 327 L CB -0.295 41.603 42.059 -0.269 0.000 0.901 327 L HN 0.144 nan 8.230 nan 0.000 0.433 328 E N 0.100 120.197 120.200 -0.172 0.000 2.031 328 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 328 E C 2.172 178.684 176.600 -0.147 0.000 0.994 328 E CA 2.069 58.363 56.400 -0.177 0.000 0.800 328 E CB -0.116 29.485 29.700 -0.165 0.000 0.752 328 E HN 0.511 nan 8.360 nan 0.000 0.447 329 T N -2.233 112.285 114.554 -0.061 0.000 2.867 329 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 329 T C 2.160 176.888 174.700 0.046 0.000 1.057 329 T CA 1.333 63.423 62.100 -0.017 0.000 1.136 329 T CB -0.415 68.485 68.868 0.053 0.000 0.874 329 T HN -0.038 nan 8.240 nan 0.000 0.466 330 S N 1.211 116.981 115.700 0.116 0.000 2.356 330 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 330 S C 2.145 176.721 174.600 -0.041 0.000 1.032 330 S CA 1.199 59.466 58.200 0.112 0.000 1.005 330 S CB -0.389 62.824 63.200 0.022 0.000 0.867 330 S HN 0.569 nan 8.310 nan 0.000 0.449 331 R N 0.452 120.847 120.500 -0.174 0.000 2.081 331 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 331 R C 1.965 177.971 176.300 -0.490 0.000 1.131 331 R CA 1.153 57.025 56.100 -0.380 0.000 0.960 331 R CB -0.369 29.610 30.300 -0.536 0.000 0.856 331 R HN 0.235 nan 8.270 nan 0.000 0.436 332 L N 0.919 121.936 121.223 -0.343 0.000 2.079 332 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 332 L C 2.262 179.135 176.870 0.004 0.000 1.081 332 L CA 1.453 56.198 54.840 -0.159 0.000 0.752 332 L CB -0.655 41.340 42.059 -0.106 0.000 0.896 332 L HN 0.291 nan 8.230 nan 0.000 0.433 333 L N -1.593 119.620 121.223 -0.016 0.000 2.056 333 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 333 L C 2.411 179.328 176.870 0.079 0.000 1.078 333 L CA 0.874 55.729 54.840 0.026 0.000 0.749 333 L CB -0.107 41.964 42.059 0.020 0.000 0.901 333 L HN 0.071 nan 8.230 nan 0.000 0.433 334 V N -1.122 118.842 119.914 0.084 0.000 2.295 334 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 334 V C 2.193 178.463 176.094 0.292 0.000 1.049 334 V CA 1.908 64.300 62.300 0.153 0.000 1.024 334 V CB -0.693 31.219 31.823 0.148 0.000 0.648 334 V HN 0.519 nan 8.190 nan 0.000 0.447 335 W N 0.199 121.521 121.300 0.037 0.000 2.358 335 W HA -0.091 4.569 4.660 -0.000 0.000 0.303 335 W C 2.560 179.087 176.519 0.015 0.000 1.208 335 W CA 1.029 58.394 57.345 0.033 0.000 1.274 335 W CB -0.918 28.579 29.460 0.062 0.000 1.138 335 W HN 0.115 nan 8.180 nan 0.000 0.515 336 K N 0.523 121.077 120.400 0.257 0.000 2.097 336 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 336 K C 2.000 178.647 176.600 0.078 0.000 1.049 336 K CA 1.556 57.920 56.287 0.127 0.000 0.933 336 K CB -0.616 31.940 32.500 0.094 0.000 0.717 336 K HN 0.061 nan 8.250 nan 0.000 0.442 337 A N 0.864 123.735 122.820 0.084 0.000 1.855 337 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 337 A C 2.294 179.905 177.584 0.044 0.000 1.191 337 A CA 2.176 54.240 52.037 0.046 0.000 0.613 337 A CB -0.978 18.050 19.000 0.046 0.000 0.829 337 A HN 0.180 nan 8.150 nan 0.000 0.442 338 V N -2.628 117.328 119.914 0.070 0.000 2.490 338 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 338 V C 2.147 178.259 176.094 0.030 0.000 1.061 338 V CA 2.729 65.060 62.300 0.051 0.000 1.064 338 V CB -1.806 30.049 31.823 0.055 0.000 0.670 338 V HN 0.414 nan 8.190 nan 0.000 0.461 339 T N 0.536 115.107 114.554 0.028 0.000 2.857 339 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 339 T C 1.948 176.651 174.700 0.006 0.000 1.048 339 T CA 2.165 64.267 62.100 0.003 0.000 1.139 339 T CB -0.480 68.385 68.868 -0.006 0.000 0.874 339 T HN 0.679 nan 8.240 nan 0.000 0.455 340 T N 2.386 116.945 114.554 0.009 0.000 2.777 340 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 340 T C 1.938 176.644 174.700 0.011 0.000 1.040 340 T CA 0.775 62.875 62.100 -0.001 0.000 1.141 340 T CB -0.402 68.456 68.868 -0.016 0.000 0.868 340 T HN 0.236 nan 8.240 nan 0.000 0.444 341 L N 0.627 121.862 121.223 0.021 0.000 2.191 341 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 341 L C 2.314 179.231 176.870 0.079 0.000 1.103 341 L CA 1.292 56.168 54.840 0.061 0.000 0.769 341 L CB -0.381 41.721 42.059 0.072 0.000 0.908 341 L HN 0.326 nan 8.230 nan 0.000 0.438 342 E N -1.111 119.116 120.200 0.045 0.000 2.479 342 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 342 E C 0.024 176.641 176.600 0.028 0.000 1.049 342 E CA -0.189 56.231 56.400 0.034 0.000 0.870 342 E CB 0.208 29.917 29.700 0.014 0.000 0.944 342 E HN 0.189 nan 8.360 nan 0.000 0.492 343 D N 1.433 121.851 120.400 0.031 0.000 2.393 343 D HA 0.010 4.650 4.640 -0.000 0.000 0.232 343 D C 0.418 176.742 176.300 0.039 0.000 1.192 343 D CA 0.103 54.117 54.000 0.024 0.000 0.882 343 D CB 0.652 41.461 40.800 0.015 0.000 1.038 343 D HN 0.000 nan 8.370 nan 0.000 0.499 344 E N 2.102 122.322 120.200 0.033 0.000 2.472 344 E HA -0.082 4.268 4.350 -0.000 0.000 0.200 344 E C 0.972 177.594 176.600 0.037 0.000 1.046 344 E CA 0.246 56.669 56.400 0.038 0.000 0.871 344 E CB 0.244 29.959 29.700 0.025 0.000 0.806 344 E HN 0.480 nan 8.360 nan 0.000 0.533 345 A N 0.598 123.436 122.820 0.031 0.000 2.379 345 A HA 0.213 4.533 4.320 -0.000 0.000 0.236 345 A C 0.446 178.050 177.584 0.033 0.000 1.272 345 A CA -0.058 51.996 52.037 0.028 0.000 0.886 345 A CB 0.191 19.203 19.000 0.020 0.000 0.962 345 A HN 0.044 nan 8.150 nan 0.000 0.504 346 L N 0.540 121.788 121.223 0.042 0.000 2.346 346 L HA 0.345 4.685 4.340 -0.000 0.000 0.276 346 L C -0.288 176.624 176.870 0.071 0.000 1.006 346 L CA -0.784 54.081 54.840 0.042 0.000 0.817 346 L CB 1.993 44.067 42.059 0.025 0.000 1.272 346 L HN 0.280 nan 8.230 nan 0.000 0.421 347 E N 1.787 122.025 120.200 0.063 0.000 2.418 347 E HA -0.137 4.213 4.350 -0.000 0.000 0.261 347 E C 0.247 176.932 176.600 0.142 0.000 1.070 347 E CA 0.148 56.609 56.400 0.101 0.000 0.931 347 E CB 1.003 30.745 29.700 0.070 0.000 0.954 347 E HN 0.651 nan 8.360 nan 0.000 0.439 348 W N 2.534 123.839 121.300 0.009 0.000 2.342 348 W HA -0.246 4.414 4.660 -0.000 0.000 0.297 348 W C 1.268 177.796 176.519 0.016 0.000 1.213 348 W CA 1.086 58.437 57.345 0.010 0.000 1.251 348 W CB 0.066 29.531 29.460 0.008 0.000 1.136 348 W HN 0.483 nan 8.180 nan 0.000 0.526 349 K N 0.416 120.777 120.400 -0.065 0.000 2.044 349 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 349 K C 1.804 178.283 176.600 -0.203 0.000 1.049 349 K CA 2.117 58.314 56.287 -0.151 0.000 0.927 349 K CB -1.024 31.477 32.500 0.002 0.000 0.713 349 K HN 0.083 nan 8.250 nan 0.000 0.443 350 V N 1.027 120.863 119.914 -0.131 0.000 2.427 350 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 350 V C 1.938 177.918 176.094 -0.190 0.000 1.051 350 V CA 1.708 63.938 62.300 -0.117 0.000 1.048 350 V CB -0.364 31.419 31.823 -0.068 0.000 0.666 350 V HN 0.313 nan 8.190 nan 0.000 0.456 351 K N -0.242 119.986 120.400 -0.287 0.000 2.062 351 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 351 K C 2.119 178.402 176.600 -0.529 0.000 1.051 351 K CA 1.198 57.274 56.287 -0.353 0.000 0.941 351 K CB -0.341 31.956 32.500 -0.337 0.000 0.719 351 K HN 0.281 nan 8.250 nan 0.000 0.440 352 L N 1.965 122.674 121.223 -0.856 0.000 2.046 352 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 352 L C 1.267 177.938 176.870 -0.332 0.000 1.077 352 L CA 1.573 55.982 54.840 -0.718 0.000 0.747 352 L CB -0.352 41.218 42.059 -0.816 0.000 0.896 352 L HN 0.138 nan 8.230 nan 0.000 0.432 358 T N 1.984 116.568 114.554 0.050 0.000 2.674 358 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 358 T C 1.634 176.386 174.700 0.086 0.000 1.039 358 T CA 1.454 63.602 62.100 0.080 0.000 1.150 358 T CB -0.078 68.820 68.868 0.051 0.000 0.864 358 T HN 0.009 nan 8.240 nan 0.000 0.427 359 K N 1.018 121.447 120.400 0.049 0.000 2.057 359 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 359 K C 2.240 178.872 176.600 0.055 0.000 1.049 359 K CA 1.199 57.510 56.287 0.040 0.000 0.931 359 K CB -0.576 31.934 32.500 0.016 0.000 0.714 359 K HN 0.390 nan 8.250 nan 0.000 0.440 360 I N -0.259 120.348 120.570 0.061 0.000 2.163 360 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 360 I C 2.417 178.586 176.117 0.085 0.000 1.081 360 I CA 1.227 62.565 61.300 0.064 0.000 1.353 360 I CB -0.446 37.589 38.000 0.058 0.000 1.054 360 I HN 0.108 nan 8.210 nan 0.000 0.407 361 Y N 1.987 122.289 120.300 0.003 0.000 2.089 361 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 361 Y C 2.995 178.896 175.900 0.001 0.000 1.139 361 Y CA 2.388 60.489 58.100 0.002 0.000 1.123 361 Y CB -0.828 37.630 38.460 -0.003 0.000 0.980 361 Y HN 0.313 nan 8.280 nan 0.000 0.493 362 T N -2.619 111.921 114.554 -0.024 0.000 2.684 362 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 362 T C 1.890 176.518 174.700 -0.120 0.000 1.036 362 T CA 2.511 64.543 62.100 -0.113 0.000 1.148 362 T CB -1.524 67.338 68.868 -0.009 0.000 0.863 362 T HN 0.569 nan 8.240 nan 0.000 0.436 363 T N -0.514 114.020 114.554 -0.034 0.000 2.867 363 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 363 T C 1.705 176.405 174.700 0.000 0.000 1.057 363 T CA 1.258 63.381 62.100 0.038 0.000 1.136 363 T CB -0.527 68.414 68.868 0.122 0.000 0.874 363 T HN 0.253 nan 8.240 nan 0.000 0.466 364 D N 0.857 121.220 120.400 -0.061 0.000 2.091 364 D HA 0.011 4.651 4.640 -0.000 0.000 0.199 364 D C 2.297 178.521 176.300 -0.126 0.000 0.980 364 D CA 0.680 54.636 54.000 -0.074 0.000 0.831 364 D CB -0.655 40.105 40.800 -0.068 0.000 0.987 364 D HN 0.228 nan 8.370 nan 0.000 0.460 365 V N 1.003 120.756 119.914 -0.268 0.000 2.594 365 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 365 V C 2.248 178.247 176.094 -0.159 0.000 1.069 365 V CA 1.797 63.922 62.300 -0.291 0.000 1.082 365 V CB -0.433 31.018 31.823 -0.621 0.000 0.680 365 V HN 0.178 nan 8.190 nan 0.000 0.469 366 A N -0.657 122.095 122.820 -0.113 0.000 1.902 366 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 366 A C 2.319 179.917 177.584 0.023 0.000 1.181 366 A CA 2.018 54.043 52.037 -0.021 0.000 0.623 366 A CB -0.597 18.425 19.000 0.038 0.000 0.818 366 A HN 0.386 nan 8.150 nan 0.000 0.443 367 V N 0.281 120.204 119.914 0.015 0.000 2.343 367 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 367 V C 2.361 178.462 176.094 0.011 0.000 1.051 367 V CA 2.290 64.600 62.300 0.017 0.000 1.036 367 V CB -0.909 30.914 31.823 -0.001 0.000 0.654 367 V HN 0.647 nan 8.190 nan 0.000 0.451 368 E N -1.002 119.192 120.200 -0.011 0.000 2.150 368 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 368 E C 2.259 178.866 176.600 0.011 0.000 0.985 368 E CA 1.482 57.878 56.400 -0.008 0.000 0.814 368 E CB -0.373 29.312 29.700 -0.026 0.000 0.752 368 E HN 0.663 nan 8.360 nan 0.000 0.466 369 C N 0.494 119.802 119.300 0.014 0.000 2.429 369 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 369 C C 2.674 177.724 174.990 0.099 0.000 1.262 369 C CA 0.596 59.643 59.018 0.048 0.000 1.733 369 C CB -0.706 27.051 27.740 0.029 0.000 2.010 369 C HN 0.196 nan 8.230 nan 0.000 0.483 370 V N 1.062 121.036 119.914 0.101 0.000 2.358 370 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 370 V C 2.274 178.425 176.094 0.095 0.000 1.047 370 V CA 2.336 64.723 62.300 0.145 0.000 1.035 370 V CB -0.570 31.334 31.823 0.135 0.000 0.658 370 V HN 0.557 nan 8.190 nan 0.000 0.452 371 I N 0.105 120.702 120.570 0.046 0.000 2.179 371 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 371 I C 2.253 178.358 176.117 -0.020 0.000 1.088 371 I CA 1.634 62.936 61.300 0.004 0.000 1.357 371 I CB -0.464 37.537 38.000 0.001 0.000 1.051 371 I HN 0.296 nan 8.210 nan 0.000 0.409 372 D N 1.211 121.615 120.400 0.006 0.000 2.144 372 D HA -0.018 4.622 4.640 -0.000 0.000 0.199 372 D C 1.215 177.512 176.300 -0.005 0.000 0.984 372 D CA 0.890 54.893 54.000 0.006 0.000 0.834 372 D CB -0.209 40.611 40.800 0.034 0.000 0.955 372 D HN 0.307 nan 8.370 nan 0.000 0.465 376 A N 1.423 124.189 122.820 -0.089 0.000 1.902 376 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 376 A C 2.087 179.655 177.584 -0.027 0.000 1.181 376 A CA 1.773 53.795 52.037 -0.025 0.000 0.623 376 A CB -0.506 18.501 19.000 0.012 0.000 0.818 376 A HN 0.048 nan 8.150 nan 0.000 0.443 377 V N -0.972 118.836 119.914 -0.178 0.000 2.453 377 V HA 0.249 4.369 4.120 -0.000 0.000 0.247 377 V C 1.570 177.531 176.094 -0.222 0.000 1.048 377 V CA 1.179 63.294 62.300 -0.307 0.000 1.049 377 V CB -1.664 29.742 31.823 -0.695 0.000 0.672 377 V HN 1.292 nan 8.190 nan 0.000 0.457 381 S N 0.205 115.821 115.700 -0.140 0.000 2.547 381 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 381 S C 1.531 176.189 174.600 0.097 0.000 0.980 381 S CA 0.631 58.767 58.200 -0.106 0.000 0.941 381 S CB -0.261 62.548 63.200 -0.651 0.000 0.763 381 S HN 0.316 nan 8.310 nan 0.000 0.532 382 Y N 2.169 122.435 120.300 -0.057 0.000 2.482 382 Y HA 0.583 5.133 4.550 -0.000 0.000 0.270 382 Y C 0.974 176.875 175.900 0.002 0.000 1.152 382 Y CA -0.640 57.446 58.100 -0.024 0.000 1.292 382 Y CB -0.268 38.168 38.460 -0.041 0.000 1.070 382 Y HN 0.426 nan 8.280 nan 0.000 0.528 383 A N 0.356 123.206 122.820 0.050 0.000 2.303 383 A HA 0.307 4.627 4.320 -0.000 0.000 0.317 383 A C 0.905 178.473 177.584 -0.028 0.000 1.149 383 A CA -0.635 51.394 52.037 -0.013 0.000 0.822 383 A CB 0.678 19.695 19.000 0.028 0.000 1.131 383 A HN 0.379 nan 8.150 nan 0.000 0.493 384 K N 0.838 121.204 120.400 -0.057 0.000 2.555 384 K HA -0.053 4.267 4.320 -0.000 0.000 0.193 384 K C 0.197 176.779 176.600 -0.030 0.000 1.032 384 K CA 0.586 56.843 56.287 -0.050 0.000 1.004 384 K CB -0.122 32.342 32.500 -0.061 0.000 0.804 384 K HN 0.901 nan 8.250 nan 0.000 0.496 388 F N 2.800 122.723 119.950 -0.044 0.000 2.126 388 F HA 0.137 4.664 4.527 -0.000 0.000 0.299 388 F C -0.507 175.268 175.800 -0.042 0.000 1.096 388 F CA 1.471 59.450 58.000 -0.035 0.000 1.255 388 F CB -1.771 37.208 39.000 -0.035 0.000 0.997 388 F HN 0.255 nan 8.300 nan 0.000 0.479 389 P HA -0.205 nan 4.420 nan 0.000 0.216 389 P C 1.623 178.910 177.300 -0.022 0.000 1.150 389 P CA 1.517 64.618 63.100 0.002 0.000 0.843 389 P CB -0.113 31.541 31.700 -0.077 0.000 0.787 390 R N -0.222 120.258 120.500 -0.034 0.000 2.075 390 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 390 R C 2.168 178.425 176.300 -0.071 0.000 1.114 390 R CA 1.016 57.080 56.100 -0.062 0.000 0.972 390 R CB -0.886 29.377 30.300 -0.061 0.000 0.869 390 R HN 0.220 nan 8.270 nan 0.000 0.437 391 L N 1.033 122.233 121.223 -0.037 0.000 2.131 391 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 391 L C 2.523 179.394 176.870 0.002 0.000 1.092 391 L CA 0.590 55.423 54.840 -0.010 0.000 0.759 391 L CB -0.514 41.557 42.059 0.020 0.000 0.903 391 L HN 0.202 nan 8.230 nan 0.000 0.435 392 L N 0.489 121.727 121.223 0.025 0.000 1.994 392 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 392 L C 2.014 178.854 176.870 -0.049 0.000 1.071 392 L CA 1.969 56.819 54.840 0.016 0.000 0.745 392 L CB -0.724 41.362 42.059 0.044 0.000 0.892 392 L HN 0.190 nan 8.230 nan 0.000 0.431 393 N N -0.307 118.349 118.700 -0.074 0.000 2.244 393 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 393 N C 1.648 177.041 175.510 -0.195 0.000 1.016 393 N CA 1.508 54.493 53.050 -0.109 0.000 0.866 393 N CB -0.105 38.325 38.487 -0.096 0.000 0.980 393 N HN 0.550 nan 8.380 nan 0.000 0.430 394 E N -0.072 119.968 120.200 -0.267 0.000 2.112 394 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 394 E C 0.687 176.997 176.600 -0.484 0.000 0.979 394 E CA 0.117 56.227 56.400 -0.484 0.000 0.814 394 E CB 0.146 29.494 29.700 -0.586 0.000 0.762 394 E HN 0.055 nan 8.360 nan 0.000 0.460 398 Y N 2.457 122.525 120.300 -0.386 0.000 2.207 398 Y HA 0.024 4.574 4.550 -0.000 0.000 0.287 398 Y C -0.495 175.457 175.900 0.086 0.000 1.156 398 Y CA 2.092 60.059 58.100 -0.221 0.000 1.182 398 Y CB -2.102 36.296 38.460 -0.103 0.000 0.979 398 Y HN 0.400 nan 8.280 nan 0.000 0.521 399 P HA -0.066 nan 4.420 nan 0.000 0.222 399 P C 1.297 178.639 177.300 0.069 0.000 1.153 399 P CA 1.387 64.540 63.100 0.088 0.000 0.798 399 P CB 0.012 31.727 31.700 0.025 0.000 0.796 400 L N -2.255 118.991 121.223 0.039 0.000 2.168 400 L HA 0.135 4.475 4.340 -0.000 0.000 0.203 400 L C 1.599 178.492 176.870 0.038 0.000 1.078 400 L CA 0.156 54.988 54.840 -0.013 0.000 0.780 400 L CB -0.776 41.221 42.059 -0.103 0.000 0.939 400 L HN -0.007 nan 8.230 nan 0.000 0.451 401 F N 0.201 120.053 119.950 -0.164 0.000 2.352 401 F HA 0.261 4.788 4.527 -0.000 0.000 0.304 401 F C 0.704 176.442 175.800 -0.103 0.000 1.215 401 F CA -0.808 57.085 58.000 -0.178 0.000 1.121 401 F CB 0.319 39.222 39.000 -0.161 0.000 1.329 401 F HN -0.011 nan 8.300 nan 0.000 0.528 402 D N 0.805 120.861 120.400 -0.573 0.000 2.708 402 D HA -0.066 4.574 4.640 -0.000 0.000 0.236 402 D C -0.065 176.035 176.300 -0.334 0.000 1.146 402 D CA 1.684 55.341 54.000 -0.572 0.000 0.662 402 D CB -1.355 38.863 40.800 -0.970 0.000 1.059 402 D HN 1.466 nan 8.370 nan 0.000 0.428 403 G N -0.959 107.647 108.800 -0.323 0.000 3.292 403 G HA2 0.315 4.275 3.960 -0.000 0.000 0.636 403 G HA3 0.315 4.275 3.960 -0.000 0.000 0.636 403 G C 0.519 175.333 174.900 -0.143 0.000 1.069 403 G CA -0.047 44.886 45.100 -0.278 0.000 0.890 403 G HN 0.925 nan 8.290 nan 0.000 0.427 404 G N 0.998 109.727 108.800 -0.118 0.000 2.484 404 G HA2 0.308 4.268 3.960 -0.000 0.000 0.235 404 G HA3 0.308 4.268 3.960 -0.000 0.000 0.235 404 G C 1.061 175.936 174.900 -0.042 0.000 1.282 404 G CA 0.341 45.404 45.100 -0.063 0.000 0.857 404 G HN 0.830 nan 8.290 nan 0.000 0.571 405 N N 0.922 119.612 118.700 -0.016 0.000 2.120 405 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 405 N C 1.969 177.471 175.510 -0.014 0.000 1.024 405 N CA 0.626 53.671 53.050 -0.008 0.000 0.852 405 N CB -0.027 38.464 38.487 0.007 0.000 1.003 405 N HN 0.385 nan 8.380 nan 0.000 0.424 406 I N 0.641 121.201 120.570 -0.016 0.000 2.233 406 I HA -0.079 4.091 4.170 -0.000 0.000 0.243 406 I C 2.542 178.649 176.117 -0.017 0.000 1.093 406 I CA 1.347 62.638 61.300 -0.015 0.000 1.380 406 I CB -1.704 36.287 38.000 -0.015 0.000 1.067 406 I HN 0.153 nan 8.210 nan 0.000 0.413 407 G N -0.128 108.659 108.800 -0.022 0.000 2.426 407 G HA2 0.055 4.015 3.960 -0.000 0.000 0.214 407 G HA3 0.055 4.015 3.960 -0.000 0.000 0.214 407 G C 1.759 176.652 174.900 -0.012 0.000 1.156 407 G CA 0.182 45.272 45.100 -0.016 0.000 0.802 407 G HN 0.249 nan 8.290 nan 0.000 0.534 408 L N -0.999 120.207 121.223 -0.028 0.000 2.488 408 L HA 0.260 4.600 4.340 -0.000 0.000 0.186 408 L C 2.958 179.812 176.870 -0.027 0.000 1.124 408 L CA -0.224 54.600 54.840 -0.026 0.000 0.838 408 L CB -0.110 41.906 42.059 -0.072 0.000 1.107 408 L HN -0.120 nan 8.230 nan 0.000 0.494 409 R N 0.771 121.247 120.500 -0.040 0.000 2.080 409 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 409 R C 2.164 178.448 176.300 -0.028 0.000 1.137 409 R CA 1.445 57.526 56.100 -0.032 0.000 0.943 409 R CB -0.919 29.365 30.300 -0.027 0.000 0.846 409 R HN 0.327 nan 8.270 nan 0.000 0.431 410 R N 0.100 120.586 120.500 -0.024 0.000 2.120 410 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 410 R C 2.312 178.590 176.300 -0.038 0.000 1.123 410 R CA 0.935 57.019 56.100 -0.027 0.000 0.975 410 R CB -0.164 30.125 30.300 -0.019 0.000 0.866 410 R HN -0.013 nan 8.270 nan 0.000 0.446 411 R N 1.046 121.528 120.500 -0.030 0.000 2.075 411 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 411 R C 0.883 177.160 176.300 -0.038 0.000 1.126 411 R CA 1.136 57.218 56.100 -0.031 0.000 0.963 411 R CB -0.392 29.898 30.300 -0.016 0.000 0.858 411 R HN 0.318 nan 8.270 nan 0.000 0.435 415 R N 0.997 121.425 120.500 -0.121 0.000 2.083 415 R HA -0.013 4.327 4.340 -0.000 0.000 0.237 415 R C 0.872 177.085 176.300 -0.145 0.000 1.137 415 R CA 1.504 57.540 56.100 -0.106 0.000 0.951 415 R CB -0.147 30.113 30.300 -0.067 0.000 0.851 415 R HN 0.128 nan 8.270 nan 0.000 0.434 419 L N 1.532 122.703 121.223 -0.087 0.000 2.514 419 L HA 0.030 4.370 4.340 -0.000 0.000 0.280 419 L C 1.736 178.626 176.870 0.033 0.000 1.223 419 L CA 0.661 55.493 54.840 -0.014 0.000 0.864 419 L CB 0.481 42.547 42.059 0.010 0.000 1.118 419 L HN 0.658 nan 8.230 nan 0.000 0.494 420 E N 1.339 121.556 120.200 0.029 0.000 2.150 420 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 420 E C 0.585 177.216 176.600 0.050 0.000 0.985 420 E CA 1.336 57.758 56.400 0.035 0.000 0.814 420 E CB 0.251 29.962 29.700 0.020 0.000 0.752 420 E HN 0.819 nan 8.360 nan 0.000 0.466 421 D N -0.626 119.808 120.400 0.055 0.000 2.427 421 D HA -0.087 4.553 4.640 -0.000 0.000 0.224 421 D C -0.205 176.136 176.300 0.069 0.000 1.157 421 D CA -0.550 53.478 54.000 0.046 0.000 0.828 421 D CB -1.136 39.683 40.800 0.032 0.000 0.974 421 D HN 0.269 nan 8.370 nan 0.000 0.498 422 Y N 1.773 122.042 120.300 -0.051 0.000 2.729 422 Y HA 0.029 4.579 4.550 -0.000 0.000 0.331 422 Y C -0.082 175.760 175.900 -0.097 0.000 1.208 422 Y CA 0.057 58.109 58.100 -0.079 0.000 1.521 422 Y CB 0.471 38.875 38.460 -0.094 0.000 1.233 422 Y HN -0.082 nan 8.280 nan 0.000 0.539 423 E N 8.873 128.776 120.200 -0.495 0.000 2.121 423 E HA 0.134 4.484 4.350 -0.000 0.000 0.255 423 E C -1.963 174.111 176.600 -0.877 0.000 0.906 423 E CA -1.930 54.144 56.400 -0.544 0.000 0.745 423 E CB 1.308 30.870 29.700 -0.230 0.000 1.155 423 E HN 0.665 nan 8.360 nan 0.000 0.424 424 P HA -0.184 nan 4.420 nan 0.000 0.214 424 P C -0.048 176.662 177.300 -0.984 0.000 1.169 424 P CA 1.392 63.669 63.100 -1.372 0.000 0.908 424 P CB 0.112 30.866 31.700 -1.577 0.000 0.791 425 W N -1.591 119.618 121.300 -0.151 0.000 2.987 425 W HA 0.571 5.231 4.660 -0.000 0.000 0.441 425 W C 1.558 178.037 176.519 -0.068 0.000 0.853 425 W CA -0.372 56.927 57.345 -0.077 0.000 2.222 425 W CB -0.713 28.781 29.460 0.057 0.000 1.139 425 W HN -0.065 nan 8.180 nan 0.000 0.819 426 A N 1.013 123.830 122.820 -0.005 0.000 1.930 426 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 426 A C 2.166 179.757 177.584 0.011 0.000 1.175 426 A CA 1.713 53.753 52.037 0.005 0.000 0.627 426 A CB -0.594 18.374 19.000 -0.054 0.000 0.815 426 A HN 0.306 nan 8.150 nan 0.000 0.443 427 A N -1.656 121.158 122.820 -0.010 0.000 2.209 427 A HA 0.119 4.439 4.320 -0.000 0.000 0.212 427 A C 1.987 179.546 177.584 -0.042 0.000 1.158 427 A CA 2.008 54.032 52.037 -0.021 0.000 0.742 427 A CB -0.550 18.434 19.000 -0.027 0.000 0.790 427 A HN 0.499 nan 8.150 nan 0.000 0.472 428 T N -3.306 111.204 114.554 -0.074 0.000 3.125 428 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 428 T C 0.900 175.442 174.700 -0.264 0.000 0.981 428 T CA 0.430 62.380 62.100 -0.250 0.000 1.069 428 T CB 0.001 68.584 68.868 -0.475 0.000 1.091 428 T HN 0.434 nan 8.240 nan 0.000 0.460 429 Y N 1.535 121.878 120.300 0.072 0.000 2.607 429 Y HA 0.469 5.019 4.550 -0.000 0.000 0.266 429 Y C 1.568 177.491 175.900 0.038 0.000 1.178 429 Y CA -0.418 57.709 58.100 0.045 0.000 1.226 429 Y CB 0.502 38.991 38.460 0.049 0.000 1.144 429 Y HN 0.543 nan 8.280 nan 0.000 0.528 430 G N 0.719 109.600 108.800 0.135 0.000 2.692 430 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 430 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 430 G C -0.095 174.855 174.900 0.083 0.000 1.340 430 G CA -0.210 44.941 45.100 0.085 0.000 0.896 430 G HN 0.254 nan 8.290 nan 0.000 0.570 431 S N 0.000 115.731 115.700 0.051 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.221 58.200 0.036 0.000 1.107 431 S CB 0.000 63.212 63.200 0.020 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517