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 1uz4_1_A DATA FIRST_RESID 22 DATA SEQUENCE EHFVRVNGGH FELQGKPYVI TGVNMWYAAY LGAPNEVGDR DRLAKELDNL DATA SEQUENCE KAIGVNNLRV LAVSEKSEIN SAVKPAVTNG FGNYDETLLQ GLDYLLVELA DATA SEQUENCE KRDMTVVLYF NNFWQWSGGM TQYMAWIEGE PVQDPNVTNE WEAFMAKSAS DATA SEQUENCE FYRSEKAQQE YRKTLEKIIT RVNSINGKAY VDDATIMSWQ LANEPRPGNS DATA SEQUENCE QTTAEEKQIY IDWVHAAAAY IKTLDAHHLV SSGSEGEMGS VNDMQVFIDA DATA SEQUENCE HATPDIDYLT YHMWIRNWSW FDKTKPAETW PSAWEKAQNY MRAHIDVAKQ DATA SEQUENCE LNKPLVLEEF GLDRDMGSYA MDSTTEYRDN YFRGVFELML ASLEQGEPSA DATA SEQUENCE GYNIWAWNGY GRTTRANYWW QEGDDFMGDP PQEEQGMYGV FDTDTSTIAI DATA SEQUENCE MKEFNARFQP 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.695 176.600 0.159 0.000 1.382 22 E CA 0.000 56.464 56.400 0.106 0.000 0.976 22 E CB 0.000 29.756 29.700 0.093 0.000 0.812 23 H N 0.392 119.506 119.070 0.072 0.000 2.481 23 H HA 0.719 5.275 4.556 -0.000 0.000 0.333 23 H C -1.150 174.289 175.328 0.185 0.000 1.066 23 H CA -1.628 54.467 56.048 0.079 0.000 1.209 23 H CB 0.103 29.857 29.762 -0.014 0.000 1.445 23 H HN 0.342 nan 8.280 nan 0.000 0.488 24 F N 2.589 122.531 119.950 -0.013 0.000 2.380 24 F HA 0.147 4.673 4.527 -0.000 0.000 0.325 24 F C 0.550 176.155 175.800 -0.325 0.000 1.136 24 F CA -0.793 57.106 58.000 -0.168 0.000 1.171 24 F CB 0.570 39.495 39.000 -0.124 0.000 1.230 24 F HN 0.148 nan 8.300 nan 0.000 0.554 25 V N 4.211 124.025 119.914 -0.167 0.000 2.585 25 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 25 V C 0.320 176.376 176.094 -0.064 0.000 1.035 25 V CA -0.124 62.020 62.300 -0.261 0.000 1.084 25 V CB 0.193 31.768 31.823 -0.412 0.000 0.953 25 V HN 0.637 nan 8.190 nan 0.000 0.483 26 R N 2.859 123.343 120.500 -0.027 0.000 2.939 26 R HA 0.819 5.159 4.340 -0.000 0.000 0.254 26 R C -1.425 174.965 176.300 0.150 0.000 1.123 26 R CA -0.893 55.240 56.100 0.055 0.000 1.020 26 R CB 2.207 32.489 30.300 -0.030 0.000 1.206 26 R HN 0.465 nan 8.270 nan 0.000 0.491 27 V N 1.307 121.286 119.914 0.109 0.000 2.555 27 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 27 V C -0.836 175.198 176.094 -0.099 0.000 1.038 27 V CA -0.753 61.560 62.300 0.021 0.000 0.887 27 V CB 1.715 33.575 31.823 0.061 0.000 0.991 27 V HN 0.632 nan 8.190 nan 0.000 0.434 28 N N 2.884 121.408 118.700 -0.294 0.000 2.617 28 N HA 0.560 5.300 4.740 -0.000 0.000 0.263 28 N C 0.315 175.580 175.510 -0.407 0.000 1.074 28 N CA 0.949 53.804 53.050 -0.325 0.000 0.841 28 N CB 1.454 39.726 38.487 -0.358 0.000 1.221 28 N HN 1.004 nan 8.380 nan 0.000 0.529 29 G N 2.923 111.612 108.800 -0.184 0.000 2.591 29 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.298 29 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.298 29 G C 0.765 175.588 174.900 -0.128 0.000 1.195 29 G CA 0.238 45.274 45.100 -0.106 0.000 0.989 29 G HN 0.821 nan 8.290 nan 0.000 0.551 30 G N 1.158 109.932 108.800 -0.045 0.000 3.233 30 G HA2 0.478 4.438 3.960 -0.000 0.000 0.227 30 G HA3 0.478 4.438 3.960 -0.000 0.000 0.227 30 G C 0.540 175.412 174.900 -0.047 0.000 1.175 30 G CA 1.237 46.317 45.100 -0.033 0.000 0.781 30 G HN 1.371 nan 8.290 nan 0.000 0.542 31 H N -1.706 117.262 119.070 -0.170 0.000 2.894 31 H HA 0.572 5.128 4.556 -0.000 0.000 0.368 31 H C -1.483 173.694 175.328 -0.252 0.000 1.181 31 H CA -1.497 54.422 56.048 -0.215 0.000 1.146 31 H CB 0.803 30.534 29.762 -0.053 0.000 1.839 31 H HN -0.157 nan 8.280 nan 0.000 0.557 32 F N 0.330 120.351 119.950 0.118 0.000 2.370 32 F HA 0.409 4.936 4.527 -0.000 0.000 0.324 32 F C 0.701 176.602 175.800 0.167 0.000 1.116 32 F CA -0.307 57.736 58.000 0.072 0.000 1.123 32 F CB 1.041 40.121 39.000 0.134 0.000 1.238 32 F HN 0.473 nan 8.300 nan 0.000 0.536 33 E N 1.369 121.729 120.200 0.267 0.000 2.317 33 E HA 0.574 4.924 4.350 -0.000 0.000 0.270 33 E C -1.831 174.774 176.600 0.007 0.000 0.885 33 E CA -1.069 55.432 56.400 0.169 0.000 0.760 33 E CB 3.005 32.763 29.700 0.096 0.000 1.227 33 E HN 0.348 nan 8.360 nan 0.000 0.434 34 L N 2.610 123.816 121.223 -0.028 0.000 2.441 34 L HA 0.223 4.563 4.340 -0.000 0.000 0.270 34 L C -0.634 176.189 176.870 -0.079 0.000 0.973 34 L CA 0.149 54.884 54.840 -0.174 0.000 0.842 34 L CB 1.102 42.965 42.059 -0.326 0.000 1.239 34 L HN 0.638 nan 8.230 nan 0.000 0.406 35 Q N 4.209 123.950 119.800 -0.099 0.000 2.468 35 Q HA -0.224 4.116 4.340 -0.000 0.000 0.289 35 Q C 1.030 177.047 176.000 0.030 0.000 1.299 35 Q CA 0.928 56.740 55.803 0.014 0.000 0.838 35 Q CB -1.635 27.123 28.738 0.033 0.000 1.195 35 Q HN 1.392 nan 8.270 nan 0.000 0.456 36 G N -1.621 107.192 108.800 0.020 0.000 2.168 36 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 36 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 36 G C 0.007 174.944 174.900 0.061 0.000 0.977 36 G CA 0.796 45.923 45.100 0.046 0.000 0.659 36 G HN 0.254 nan 8.290 nan 0.000 0.533 37 K N 0.247 120.687 120.400 0.066 0.000 2.208 37 K HA 0.705 5.024 4.320 -0.000 0.000 0.247 37 K C -2.473 174.207 176.600 0.133 0.000 0.953 37 K CA -1.418 54.917 56.287 0.081 0.000 0.837 37 K CB 2.056 34.596 32.500 0.068 0.000 1.131 37 K HN 0.139 nan 8.250 nan 0.000 0.431 38 P HA 0.145 nan 4.420 nan 0.000 0.269 38 P C -1.224 176.224 177.300 0.246 0.000 1.209 38 P CA -0.132 63.084 63.100 0.193 0.000 0.776 38 P CB 0.197 31.924 31.700 0.045 0.000 0.876 39 Y N 2.178 122.566 120.300 0.146 0.000 2.373 39 Y HA 0.497 5.047 4.550 -0.000 0.000 0.336 39 Y C -1.384 174.612 175.900 0.160 0.000 0.979 39 Y CA -0.829 57.332 58.100 0.101 0.000 1.080 39 Y CB 1.452 39.952 38.460 0.066 0.000 1.190 39 Y HN 0.077 nan 8.280 nan 0.000 0.446 40 V N 7.015 126.769 119.914 -0.266 0.000 2.555 40 V HA 0.393 4.513 4.120 -0.000 0.000 0.302 40 V C -0.436 175.365 176.094 -0.488 0.000 1.038 40 V CA -0.984 61.216 62.300 -0.167 0.000 0.887 40 V CB 1.747 33.571 31.823 0.002 0.000 0.991 40 V HN 0.548 nan 8.190 nan 0.000 0.434 41 I N 4.344 124.686 120.570 -0.380 0.000 2.379 41 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 41 I C 0.728 176.405 176.117 -0.733 0.000 1.063 41 I CA 0.306 61.305 61.300 -0.502 0.000 1.351 41 I CB 0.647 38.458 38.000 -0.315 0.000 1.410 41 I HN 0.791 nan 8.210 nan 0.000 0.505 42 T N 2.534 116.670 114.554 -0.696 0.000 3.155 42 T HA 0.729 5.079 4.350 -0.000 0.000 0.384 42 T C 0.096 174.499 174.700 -0.494 0.000 1.351 42 T CA -0.681 60.901 62.100 -0.863 0.000 1.198 42 T CB 0.838 69.398 68.868 -0.514 0.000 1.106 42 T HN 0.736 nan 8.240 nan 0.000 0.564 43 G N 1.176 109.715 108.800 -0.435 0.000 3.042 43 G HA2 0.838 4.798 3.960 -0.000 0.000 0.278 43 G HA3 0.838 4.798 3.960 -0.000 0.000 0.278 43 G C -0.715 174.129 174.900 -0.093 0.000 1.371 43 G CA -0.582 44.386 45.100 -0.220 0.000 1.009 43 G HN 1.285 nan 8.290 nan 0.000 0.523 44 V N -2.638 117.204 119.914 -0.120 0.000 3.130 44 V HA 0.644 4.764 4.120 -0.000 0.000 0.310 44 V C -0.858 175.199 176.094 -0.063 0.000 1.158 44 V CA -1.480 60.769 62.300 -0.085 0.000 1.029 44 V CB 2.043 33.775 31.823 -0.153 0.000 1.057 44 V HN 0.626 nan 8.190 nan 0.000 0.436 45 N N 2.397 121.064 118.700 -0.056 0.000 2.438 45 N HA 0.549 5.289 4.740 -0.000 0.000 0.282 45 N C -0.953 174.430 175.510 -0.211 0.000 1.037 45 N CA -0.229 52.767 53.050 -0.090 0.000 0.942 45 N CB 1.706 40.097 38.487 -0.159 0.000 1.136 45 N HN 0.902 nan 8.380 nan 0.000 0.481 46 M N 3.935 123.402 119.600 -0.221 0.000 2.542 46 M HA 0.109 4.589 4.480 -0.000 0.000 0.273 46 M C 0.544 176.527 176.300 -0.527 0.000 1.296 46 M CA -0.752 54.257 55.300 -0.485 0.000 0.631 46 M CB 0.356 32.650 32.600 -0.510 0.000 1.747 46 M HN 0.662 nan 8.290 nan 0.000 0.378 47 W N 2.162 123.330 121.300 -0.221 0.000 2.331 47 W HA -0.236 4.424 4.660 -0.000 0.000 0.291 47 W C 0.383 176.889 176.519 -0.022 0.000 1.214 47 W CA 1.587 58.953 57.345 0.036 0.000 1.228 47 W CB -1.263 28.364 29.460 0.279 0.000 1.135 47 W HN 0.798 nan 8.180 nan 0.000 0.537 48 Y N -0.640 118.956 120.300 -1.173 0.000 2.461 48 Y HA 0.664 5.214 4.550 -0.000 0.000 0.277 48 Y C 2.232 177.817 175.900 -0.524 0.000 1.182 48 Y CA -0.106 57.172 58.100 -1.370 0.000 1.276 48 Y CB -1.317 35.922 38.460 -2.035 0.000 1.087 48 Y HN -0.086 nan 8.280 nan 0.000 0.519 49 A N 1.388 123.820 122.820 -0.646 0.000 1.933 49 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 49 A C 2.414 179.932 177.584 -0.110 0.000 1.175 49 A CA 1.821 53.638 52.037 -0.366 0.000 0.628 49 A CB -1.045 17.747 19.000 -0.347 0.000 0.814 49 A HN 0.628 nan 8.150 nan 0.000 0.444 50 A N -1.686 121.085 122.820 -0.082 0.000 1.897 50 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 50 A C 2.025 179.615 177.584 0.010 0.000 1.181 50 A CA 1.250 53.277 52.037 -0.018 0.000 0.620 50 A CB -0.767 18.212 19.000 -0.035 0.000 0.821 50 A HN 0.539 nan 8.150 nan 0.000 0.443 51 Y N -0.763 119.488 120.300 -0.082 0.000 2.151 51 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 51 Y C 2.194 178.157 175.900 0.105 0.000 1.166 51 Y CA 1.703 59.776 58.100 -0.046 0.000 1.163 51 Y CB -0.295 37.915 38.460 -0.417 0.000 0.974 51 Y HN 0.296 nan 8.280 nan 0.000 0.511 52 L N -0.640 120.745 121.223 0.270 0.000 2.275 52 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 52 L C 2.317 179.310 176.870 0.206 0.000 1.119 52 L CA 1.811 56.835 54.840 0.306 0.000 0.790 52 L CB -0.900 41.346 42.059 0.311 0.000 0.919 52 L HN 0.197 nan 8.230 nan 0.000 0.443 53 G N -1.411 107.493 108.800 0.173 0.000 2.920 53 G HA2 0.185 4.145 3.960 -0.000 0.000 0.208 53 G HA3 0.185 4.145 3.960 -0.000 0.000 0.208 53 G C 0.729 175.637 174.900 0.014 0.000 1.159 53 G CA 0.325 45.525 45.100 0.166 0.000 0.784 53 G HN 0.494 nan 8.290 nan 0.000 0.535 54 A N 1.301 124.156 122.820 0.058 0.000 2.498 54 A HA 0.452 4.772 4.320 -0.000 0.000 0.239 54 A C -0.595 176.977 177.584 -0.020 0.000 1.068 54 A CA -0.739 51.318 52.037 0.035 0.000 0.766 54 A CB 0.749 19.803 19.000 0.090 0.000 1.003 54 A HN 0.153 nan 8.150 nan 0.000 0.497 55 P HA -0.007 nan 4.420 nan 0.000 0.249 55 P C -0.149 177.145 177.300 -0.010 0.000 1.229 55 P CA 0.405 63.471 63.100 -0.057 0.000 0.788 55 P CB -0.062 31.614 31.700 -0.040 0.000 1.072 56 N N 0.422 119.139 118.700 0.028 0.000 2.823 56 N HA 0.004 4.744 4.740 -0.000 0.000 0.324 56 N C 1.141 176.688 175.510 0.063 0.000 1.336 56 N CA -0.483 52.595 53.050 0.046 0.000 0.861 56 N CB -0.161 38.363 38.487 0.061 0.000 1.157 56 N HN -0.169 nan 8.380 nan 0.000 0.585 57 E N -0.447 119.795 120.200 0.070 0.000 2.409 57 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 57 E C 1.127 177.790 176.600 0.105 0.000 1.024 57 E CA 0.657 57.098 56.400 0.068 0.000 0.861 57 E CB -0.499 29.234 29.700 0.056 0.000 0.788 57 E HN 0.342 nan 8.360 nan 0.000 0.521 58 V N 1.247 121.259 119.914 0.164 0.000 2.719 58 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 58 V C 1.586 177.874 176.094 0.323 0.000 1.065 58 V CA 1.216 63.683 62.300 0.277 0.000 1.086 58 V CB -0.539 31.509 31.823 0.376 0.000 0.700 58 V HN 0.338 nan 8.190 nan 0.000 0.467 59 G N -0.550 108.381 108.800 0.219 0.000 2.562 59 G HA2 0.396 4.356 3.960 -0.000 0.000 0.275 59 G HA3 0.396 4.356 3.960 -0.000 0.000 0.275 59 G C -0.953 174.035 174.900 0.146 0.000 1.196 59 G CA -0.003 45.217 45.100 0.200 0.000 0.908 59 G HN 0.241 nan 8.290 nan 0.000 0.524 60 D N -0.883 119.606 120.400 0.148 0.000 2.586 60 D HA 0.162 4.802 4.640 -0.000 0.000 0.254 60 D C 1.373 177.738 176.300 0.109 0.000 1.248 60 D CA -0.512 53.554 54.000 0.111 0.000 0.843 60 D CB 0.514 41.392 40.800 0.130 0.000 1.332 60 D HN 0.336 nan 8.370 nan 0.000 0.523 61 R N 0.374 120.899 120.500 0.042 0.000 2.115 61 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 61 R C 0.878 177.252 176.300 0.123 0.000 1.111 61 R CA 0.978 57.104 56.100 0.042 0.000 0.976 61 R CB 0.290 30.474 30.300 -0.193 0.000 0.870 61 R HN 0.261 nan 8.270 nan 0.000 0.445 62 D N 0.186 120.635 120.400 0.082 0.000 2.117 62 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 62 D C 1.830 178.193 176.300 0.104 0.000 0.987 62 D CA 1.076 55.125 54.000 0.082 0.000 0.829 62 D CB -0.156 40.671 40.800 0.045 0.000 0.961 62 D HN 0.161 nan 8.370 nan 0.000 0.460 63 R N 0.206 120.778 120.500 0.121 0.000 2.081 63 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 63 R C 2.244 178.683 176.300 0.232 0.000 1.131 63 R CA 0.739 56.944 56.100 0.175 0.000 0.960 63 R CB -0.400 30.016 30.300 0.194 0.000 0.856 63 R HN 0.113 nan 8.270 nan 0.000 0.436 64 L N 0.920 122.273 121.223 0.217 0.000 2.012 64 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 64 L C 2.298 179.275 176.870 0.179 0.000 1.073 64 L CA 2.286 57.254 54.840 0.212 0.000 0.748 64 L CB -0.846 41.352 42.059 0.232 0.000 0.891 64 L HN 0.273 nan 8.230 nan 0.000 0.431 65 A N -0.740 122.186 122.820 0.176 0.000 1.902 65 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 65 A C 2.330 179.993 177.584 0.131 0.000 1.181 65 A CA 2.024 54.137 52.037 0.127 0.000 0.623 65 A CB -0.534 18.540 19.000 0.122 0.000 0.818 65 A HN 0.534 nan 8.150 nan 0.000 0.443 66 K N -0.446 120.055 120.400 0.168 0.000 2.057 66 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 66 K C 1.978 178.806 176.600 0.380 0.000 1.049 66 K CA 1.346 57.769 56.287 0.227 0.000 0.931 66 K CB -0.133 32.453 32.500 0.143 0.000 0.714 66 K HN 0.453 nan 8.250 nan 0.000 0.440 67 E N 1.010 121.437 120.200 0.379 0.000 2.051 67 E HA -0.158 4.191 4.350 -0.000 0.000 0.192 67 E C 2.142 178.813 176.600 0.118 0.000 0.991 67 E CA 1.040 57.631 56.400 0.318 0.000 0.799 67 E CB -0.170 29.721 29.700 0.319 0.000 0.748 67 E HN 0.317 nan 8.360 nan 0.000 0.449 68 L N 1.181 122.444 121.223 0.066 0.000 2.141 68 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 68 L C 2.031 178.887 176.870 -0.023 0.000 1.094 68 L CA 0.834 55.655 54.840 -0.031 0.000 0.763 68 L CB -0.360 41.677 42.059 -0.038 0.000 0.908 68 L HN -0.027 nan 8.230 nan 0.000 0.437 69 D N -0.028 120.396 120.400 0.041 0.000 2.117 69 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 69 D C 1.928 178.252 176.300 0.041 0.000 0.987 69 D CA 1.144 55.169 54.000 0.042 0.000 0.829 69 D CB -0.228 40.618 40.800 0.076 0.000 0.961 69 D HN 0.197 nan 8.370 nan 0.000 0.460 70 N N 0.306 119.060 118.700 0.090 0.000 2.084 70 N HA -0.068 4.671 4.740 -0.000 0.000 0.190 70 N C 1.940 177.409 175.510 -0.069 0.000 1.030 70 N CA 0.652 53.748 53.050 0.075 0.000 0.849 70 N CB -0.291 38.298 38.487 0.171 0.000 1.012 70 N HN 0.114 nan 8.380 nan 0.000 0.423 71 L N 0.064 121.170 121.223 -0.195 0.000 2.046 71 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 71 L C 2.332 179.068 176.870 -0.224 0.000 1.077 71 L CA 1.169 55.785 54.840 -0.373 0.000 0.747 71 L CB -0.412 41.345 42.059 -0.503 0.000 0.896 71 L HN 0.162 nan 8.230 nan 0.000 0.432 72 K N 0.631 120.945 120.400 -0.143 0.000 2.097 72 K HA -0.131 4.188 4.320 -0.000 0.000 0.206 72 K C 1.975 178.530 176.600 -0.076 0.000 1.049 72 K CA 1.524 57.749 56.287 -0.103 0.000 0.933 72 K CB -0.284 32.174 32.500 -0.071 0.000 0.717 72 K HN 0.234 nan 8.250 nan 0.000 0.442 73 A N 0.115 122.904 122.820 -0.053 0.000 2.015 73 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 73 A C 1.963 179.528 177.584 -0.032 0.000 1.163 73 A CA 1.221 53.243 52.037 -0.025 0.000 0.646 73 A CB -0.475 18.530 19.000 0.007 0.000 0.806 73 A HN 0.350 nan 8.150 nan 0.000 0.448 74 I N -1.045 119.488 120.570 -0.062 0.000 3.684 74 I HA 0.127 4.297 4.170 -0.000 0.000 0.304 74 I C 1.558 177.631 176.117 -0.074 0.000 1.278 74 I CA 0.808 62.072 61.300 -0.060 0.000 1.272 74 I CB 0.065 38.008 38.000 -0.096 0.000 1.029 74 I HN 0.451 nan 8.210 nan 0.000 0.458 75 G N 0.996 109.743 108.800 -0.088 0.000 2.132 75 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 75 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 75 G C 0.245 175.067 174.900 -0.130 0.000 0.989 75 G CA -0.179 44.868 45.100 -0.089 0.000 0.676 75 G HN 0.129 nan 8.290 nan 0.000 0.522 76 V N 1.849 121.661 119.914 -0.170 0.000 2.508 76 V HA 0.359 4.479 4.120 -0.000 0.000 0.281 76 V C 1.202 177.180 176.094 -0.193 0.000 1.041 76 V CA 0.506 62.679 62.300 -0.213 0.000 1.016 76 V CB 1.390 33.038 31.823 -0.292 0.000 0.984 76 V HN 0.622 nan 8.190 nan 0.000 0.478 77 N N 3.189 121.765 118.700 -0.207 0.000 2.171 77 N HA 0.068 4.808 4.740 -0.000 0.000 0.212 77 N C 0.004 175.427 175.510 -0.145 0.000 1.184 77 N CA -0.115 52.837 53.050 -0.163 0.000 0.888 77 N CB 0.413 38.793 38.487 -0.178 0.000 1.038 77 N HN 0.647 nan 8.380 nan 0.000 0.517 78 N N 0.357 118.946 118.700 -0.184 0.000 2.406 78 N HA 0.291 5.031 4.740 -0.000 0.000 0.283 78 N C -1.800 173.614 175.510 -0.160 0.000 1.074 78 N CA -0.346 52.609 53.050 -0.159 0.000 0.916 78 N CB 1.824 40.206 38.487 -0.175 0.000 1.639 78 N HN -0.055 nan 8.380 nan 0.000 0.485 79 L N 1.968 123.107 121.223 -0.140 0.000 2.334 79 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 79 L C 0.266 177.105 176.870 -0.052 0.000 1.013 79 L CA -0.896 53.870 54.840 -0.124 0.000 0.816 79 L CB 2.192 44.153 42.059 -0.163 0.000 1.278 79 L HN 0.411 nan 8.230 nan 0.000 0.431 80 R N 1.823 122.337 120.500 0.022 0.000 2.343 80 R HA 0.720 5.060 4.340 -0.000 0.000 0.320 80 R C -1.717 174.711 176.300 0.213 0.000 0.956 80 R CA -0.384 55.819 56.100 0.172 0.000 0.836 80 R CB 1.506 31.971 30.300 0.275 0.000 1.151 80 R HN 0.465 nan 8.270 nan 0.000 0.450 81 V N 5.395 125.389 119.914 0.133 0.000 2.841 81 V HA 0.300 4.420 4.120 -0.000 0.000 0.310 81 V C -0.703 175.122 176.094 -0.447 0.000 1.090 81 V CA -1.080 61.187 62.300 -0.056 0.000 0.930 81 V CB 1.878 33.628 31.823 -0.122 0.000 1.014 81 V HN 0.683 nan 8.190 nan 0.000 0.425 82 L N 3.781 124.751 121.223 -0.422 0.000 2.410 82 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 82 L C 1.195 177.926 176.870 -0.233 0.000 1.144 82 L CA 0.991 55.475 54.840 -0.594 0.000 0.863 82 L CB 1.143 43.269 42.059 0.111 0.000 1.140 82 L HN 0.826 nan 8.230 nan 0.000 0.463 83 A N 4.349 127.014 122.820 -0.259 0.000 1.984 83 A HA 0.310 4.630 4.320 -0.000 0.000 0.214 83 A C 0.567 178.193 177.584 0.071 0.000 1.173 83 A CA 0.991 52.967 52.037 -0.102 0.000 0.673 83 A CB 0.149 18.987 19.000 -0.270 0.000 0.830 83 A HN 0.581 nan 8.150 nan 0.000 0.453 84 V N 0.169 120.171 119.914 0.146 0.000 3.012 84 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 84 V C -1.161 175.093 176.094 0.268 0.000 1.166 84 V CA 0.026 62.472 62.300 0.244 0.000 0.974 84 V CB 2.438 34.470 31.823 0.347 0.000 1.040 84 V HN 0.645 nan 8.190 nan 0.000 0.428 85 S N 3.818 119.690 115.700 0.288 0.000 2.568 85 S HA 0.878 5.348 4.470 -0.000 0.000 0.293 85 S C -1.179 173.575 174.600 0.258 0.000 1.089 85 S CA -0.855 57.505 58.200 0.268 0.000 0.945 85 S CB 2.196 65.603 63.200 0.346 0.000 1.077 85 S HN 0.703 nan 8.310 nan 0.000 0.485 86 E N 1.022 121.326 120.200 0.174 0.000 2.183 86 E HA 0.397 4.747 4.350 -0.000 0.000 0.271 86 E C -0.780 175.892 176.600 0.120 0.000 0.919 86 E CA -0.703 55.780 56.400 0.139 0.000 0.781 86 E CB 1.356 30.963 29.700 -0.156 0.000 1.140 86 E HN 0.630 nan 8.360 nan 0.000 0.402 87 K N 1.640 122.213 120.400 0.288 0.000 2.451 87 K HA 0.190 4.510 4.320 -0.000 0.000 0.280 87 K C -0.480 176.210 176.600 0.149 0.000 1.020 87 K CA 0.261 56.705 56.287 0.261 0.000 1.008 87 K CB 0.417 33.110 32.500 0.322 0.000 0.917 87 K HN 0.409 nan 8.250 nan 0.000 0.478 88 S N 2.667 118.438 115.700 0.118 0.000 2.549 88 S HA 0.245 4.715 4.470 -0.000 0.000 0.280 88 S C -0.161 174.503 174.600 0.106 0.000 1.109 88 S CA -0.774 57.464 58.200 0.063 0.000 0.905 88 S CB 1.445 64.666 63.200 0.036 0.000 1.081 88 S HN 0.707 nan 8.310 nan 0.000 0.477 89 E N 2.079 122.331 120.200 0.086 0.000 2.472 89 E HA 0.143 4.492 4.350 -0.000 0.000 0.196 89 E C 0.908 177.565 176.600 0.095 0.000 1.033 89 E CA 0.012 56.469 56.400 0.094 0.000 0.886 89 E CB -0.032 29.713 29.700 0.076 0.000 0.944 89 E HN 0.779 nan 8.360 nan 0.000 0.492 90 I N -0.807 119.817 120.570 0.090 0.000 3.060 90 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 90 I C 0.559 176.770 176.117 0.157 0.000 1.190 90 I CA -0.235 61.125 61.300 0.099 0.000 1.363 90 I CB 0.468 38.515 38.000 0.079 0.000 1.396 90 I HN -0.306 nan 8.210 nan 0.000 0.607 91 N N 2.380 121.187 118.700 0.177 0.000 2.295 91 N HA 0.115 4.855 4.740 -0.000 0.000 0.221 91 N C -0.157 175.619 175.510 0.443 0.000 1.129 91 N CA 0.116 53.333 53.050 0.279 0.000 0.836 91 N CB 0.592 39.208 38.487 0.215 0.000 1.040 91 N HN 0.616 nan 8.380 nan 0.000 0.494 92 S N -0.489 115.414 115.700 0.338 0.000 2.855 92 S HA 0.418 4.888 4.470 -0.000 0.000 0.249 92 S C 0.153 174.876 174.600 0.205 0.000 1.033 92 S CA -0.480 57.924 58.200 0.340 0.000 1.038 92 S CB 0.888 64.278 63.200 0.317 0.000 0.960 92 S HN 0.366 nan 8.310 nan 0.000 0.548 93 A N 0.759 123.698 122.820 0.198 0.000 2.435 93 A HA 0.788 5.108 4.320 -0.000 0.000 0.304 93 A C -0.326 177.322 177.584 0.107 0.000 1.064 93 A CA -0.576 51.545 52.037 0.139 0.000 0.727 93 A CB 1.171 20.252 19.000 0.136 0.000 1.284 93 A HN 0.208 nan 8.150 nan 0.000 0.415 94 V N 1.550 121.458 119.914 -0.009 0.000 2.673 94 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 94 V C -0.178 176.048 176.094 0.219 0.000 1.046 94 V CA 0.690 62.955 62.300 -0.057 0.000 1.126 94 V CB 0.422 32.153 31.823 -0.154 0.000 0.934 94 V HN 0.826 nan 8.190 nan 0.000 0.487 95 K N 7.780 128.430 120.400 0.416 0.000 2.468 95 K HA 0.564 4.884 4.320 -0.000 0.000 0.252 95 K C -2.631 174.297 176.600 0.546 0.000 0.932 95 K CA -1.578 54.983 56.287 0.457 0.000 0.794 95 K CB 2.247 34.998 32.500 0.419 0.000 1.241 95 K HN 0.494 nan 8.250 nan 0.000 0.428 96 P HA 0.220 nan 4.420 nan 0.000 0.277 96 P C -1.111 176.466 177.300 0.461 0.000 1.271 96 P CA -0.527 62.807 63.100 0.390 0.000 0.795 96 P CB 0.823 32.718 31.700 0.324 0.000 1.101 97 A N -0.014 123.020 122.820 0.355 0.000 2.330 97 A HA 0.446 4.766 4.320 -0.000 0.000 0.329 97 A C 1.252 179.002 177.584 0.277 0.000 1.135 97 A CA -0.652 51.599 52.037 0.356 0.000 0.817 97 A CB 0.730 19.904 19.000 0.290 0.000 1.269 97 A HN 0.261 nan 8.150 nan 0.000 0.469 98 V N 0.447 120.517 119.914 0.259 0.000 2.453 98 V HA -0.043 4.077 4.120 -0.000 0.000 0.247 98 V C 0.992 177.241 176.094 0.259 0.000 1.048 98 V CA 2.086 64.515 62.300 0.214 0.000 1.049 98 V CB -0.460 31.484 31.823 0.201 0.000 0.672 98 V HN 0.819 nan 8.190 nan 0.000 0.457 99 T N 1.332 116.049 114.554 0.271 0.000 2.874 99 T HA 0.300 4.650 4.350 -0.000 0.000 0.321 99 T C -0.048 174.736 174.700 0.140 0.000 1.075 99 T CA -0.212 62.004 62.100 0.195 0.000 0.966 99 T CB 0.064 69.109 68.868 0.295 0.000 1.001 99 T HN 0.367 nan 8.240 nan 0.000 0.476 100 N N 2.979 121.669 118.700 -0.017 0.000 3.322 100 N HA 0.490 5.230 4.740 -0.000 0.000 0.290 100 N C 0.579 175.884 175.510 -0.341 0.000 1.297 100 N CA -0.394 52.619 53.050 -0.062 0.000 1.167 100 N CB 0.474 38.951 38.487 -0.017 0.000 1.434 100 N HN 0.948 nan 8.380 nan 0.000 0.526 101 G N 0.699 109.031 108.800 -0.779 0.000 2.705 101 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.686 101 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.686 101 G C -0.544 173.749 174.900 -1.012 0.000 1.285 101 G CA -1.090 43.118 45.100 -1.486 0.000 0.800 101 G HN 0.212 nan 8.290 nan 0.000 0.611 102 F N 1.523 120.950 119.950 -0.872 0.000 2.604 102 F HA 0.327 4.854 4.527 -0.000 0.000 0.393 102 F C 2.014 177.568 175.800 -0.411 0.000 1.043 102 F CA 1.922 59.661 58.000 -0.434 0.000 1.227 102 F CB 0.512 39.372 39.000 -0.232 0.000 1.016 102 F HN 1.953 nan 8.300 nan 0.000 0.556 103 G N 2.508 111.133 108.800 -0.292 0.000 2.205 103 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 103 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 103 G C 0.371 174.874 174.900 -0.661 0.000 0.980 103 G CA -0.051 44.782 45.100 -0.445 0.000 0.632 103 G HN 0.577 nan 8.290 nan 0.000 0.533 104 N N 1.019 119.353 118.700 -0.610 0.000 3.083 104 N HA 0.421 5.161 4.740 -0.000 0.000 0.260 104 N C -0.732 174.592 175.510 -0.310 0.000 1.163 104 N CA -0.045 52.788 53.050 -0.363 0.000 1.060 104 N CB 0.089 38.426 38.487 -0.250 0.000 1.345 104 N HN 0.345 nan 8.380 nan 0.000 0.515 105 Y N -0.080 120.238 120.300 0.030 0.000 2.304 105 Y HA 0.115 4.665 4.550 -0.000 0.000 0.328 105 Y C 1.060 176.985 175.900 0.041 0.000 1.123 105 Y CA -0.910 57.220 58.100 0.049 0.000 1.218 105 Y CB 0.759 39.251 38.460 0.053 0.000 1.207 105 Y HN 0.179 nan 8.280 nan 0.000 0.495 106 D N 3.564 124.086 120.400 0.202 0.000 2.402 106 D HA -0.004 4.636 4.640 -0.000 0.000 0.235 106 D C 0.707 177.076 176.300 0.115 0.000 1.226 106 D CA 0.201 54.279 54.000 0.130 0.000 0.918 106 D CB 0.522 41.392 40.800 0.116 0.000 1.043 106 D HN 0.619 nan 8.370 nan 0.000 0.506 107 E N 1.771 122.032 120.200 0.101 0.000 2.153 107 E HA -0.121 4.228 4.350 -0.000 0.000 0.194 107 E C 1.479 178.115 176.600 0.060 0.000 0.988 107 E CA 1.000 57.446 56.400 0.075 0.000 0.811 107 E CB 0.119 29.858 29.700 0.064 0.000 0.746 107 E HN 0.508 nan 8.360 nan 0.000 0.466 108 T N 1.729 116.318 114.554 0.060 0.000 2.777 108 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 108 T C 2.095 176.822 174.700 0.044 0.000 1.040 108 T CA 0.667 62.799 62.100 0.052 0.000 1.141 108 T CB -0.134 68.767 68.868 0.055 0.000 0.868 108 T HN 0.111 nan 8.240 nan 0.000 0.444 109 L N 0.424 121.670 121.223 0.038 0.000 2.093 109 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 109 L C 2.402 179.259 176.870 -0.022 0.000 1.085 109 L CA 1.011 55.842 54.840 -0.015 0.000 0.755 109 L CB -0.578 41.444 42.059 -0.061 0.000 0.904 109 L HN 0.262 nan 8.230 nan 0.000 0.435 110 L N -0.682 120.553 121.223 0.020 0.000 2.201 110 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 110 L C 2.583 179.499 176.870 0.076 0.000 1.105 110 L CA 0.945 55.810 54.840 0.042 0.000 0.775 110 L CB -0.419 41.662 42.059 0.038 0.000 0.913 110 L HN 0.357 nan 8.230 nan 0.000 0.440 111 Q N -0.347 119.495 119.800 0.070 0.000 2.291 111 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 111 Q C 2.261 178.332 176.000 0.117 0.000 0.976 111 Q CA 1.178 57.038 55.803 0.096 0.000 0.875 111 Q CB -0.264 28.518 28.738 0.074 0.000 0.927 111 Q HN 0.637 nan 8.270 nan 0.000 0.450 112 G N 1.002 109.848 108.800 0.078 0.000 2.408 112 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 112 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 112 G C 1.344 176.313 174.900 0.116 0.000 1.150 112 G CA 0.442 45.596 45.100 0.091 0.000 0.776 112 G HN 0.262 nan 8.290 nan 0.000 0.542 113 L N 0.988 122.266 121.223 0.092 0.000 2.056 113 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 113 L C 2.098 179.042 176.870 0.123 0.000 1.078 113 L CA 1.948 56.847 54.840 0.098 0.000 0.749 113 L CB -0.544 41.603 42.059 0.146 0.000 0.901 113 L HN 0.069 nan 8.230 nan 0.000 0.433 114 D N -1.255 119.263 120.400 0.197 0.000 2.116 114 D HA -0.287 4.353 4.640 -0.000 0.000 0.193 114 D C 2.032 178.406 176.300 0.123 0.000 0.998 114 D CA 1.857 55.972 54.000 0.191 0.000 0.836 114 D CB -0.424 40.500 40.800 0.207 0.000 0.951 114 D HN 0.471 nan 8.370 nan 0.000 0.449 115 Y N 0.925 121.247 120.300 0.037 0.000 2.181 115 Y HA -0.176 4.373 4.550 -0.000 0.000 0.288 115 Y C 2.226 178.123 175.900 -0.005 0.000 1.146 115 Y CA 0.979 59.091 58.100 0.021 0.000 1.164 115 Y CB -0.412 38.066 38.460 0.031 0.000 0.982 115 Y HN -0.066 nan 8.280 nan 0.000 0.515 116 L N 0.088 121.341 121.223 0.050 0.000 2.042 116 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 116 L C 2.096 178.877 176.870 -0.148 0.000 1.076 116 L CA 1.849 56.654 54.840 -0.058 0.000 0.749 116 L CB -0.858 41.182 42.059 -0.032 0.000 0.893 116 L HN 0.335 nan 8.230 nan 0.000 0.432 117 L N -1.944 119.193 121.223 -0.144 0.000 2.093 117 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 117 L C 2.420 179.183 176.870 -0.178 0.000 1.085 117 L CA 0.862 55.588 54.840 -0.190 0.000 0.755 117 L CB -0.620 41.292 42.059 -0.246 0.000 0.904 117 L HN 0.121 nan 8.230 nan 0.000 0.435 118 V N -0.308 119.498 119.914 -0.180 0.000 2.287 118 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 118 V C 2.553 178.506 176.094 -0.234 0.000 1.053 118 V CA 1.699 63.882 62.300 -0.195 0.000 1.027 118 V CB -0.443 31.250 31.823 -0.217 0.000 0.646 118 V HN 0.441 nan 8.190 nan 0.000 0.447 119 E N -0.022 119.986 120.200 -0.321 0.000 2.072 119 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 119 E C 2.240 178.738 176.600 -0.170 0.000 0.985 119 E CA 1.030 57.269 56.400 -0.270 0.000 0.801 119 E CB -0.308 29.212 29.700 -0.300 0.000 0.750 119 E HN 0.517 nan 8.360 nan 0.000 0.452 120 L N 0.623 121.747 121.223 -0.165 0.000 2.046 120 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 120 L C 2.582 179.376 176.870 -0.126 0.000 1.077 120 L CA 1.154 55.909 54.840 -0.142 0.000 0.747 120 L CB -0.562 41.403 42.059 -0.157 0.000 0.896 120 L HN 0.059 nan 8.230 nan 0.000 0.432 121 A N 0.151 122.893 122.820 -0.130 0.000 1.933 121 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 121 A C 2.281 179.814 177.584 -0.084 0.000 1.175 121 A CA 1.628 53.601 52.037 -0.106 0.000 0.628 121 A CB -0.371 18.568 19.000 -0.101 0.000 0.814 121 A HN 0.338 nan 8.150 nan 0.000 0.444 122 K N -0.787 119.559 120.400 -0.089 0.000 2.209 122 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 122 K C 1.499 178.064 176.600 -0.058 0.000 1.048 122 K CA 1.347 57.593 56.287 -0.069 0.000 0.940 122 K CB -0.103 32.354 32.500 -0.073 0.000 0.729 122 K HN 0.403 nan 8.250 nan 0.000 0.451 123 R N 0.534 120.993 120.500 -0.068 0.000 2.432 123 R HA 0.035 4.375 4.340 -0.000 0.000 0.260 123 R C -0.680 175.585 176.300 -0.058 0.000 0.935 123 R CA -0.064 56.000 56.100 -0.060 0.000 1.080 123 R CB 0.483 30.741 30.300 -0.069 0.000 1.155 123 R HN 0.075 nan 8.270 nan 0.000 0.531 124 D N 1.143 121.508 120.400 -0.058 0.000 2.708 124 D HA -0.205 4.435 4.640 -0.000 0.000 0.236 124 D C -0.461 175.810 176.300 -0.049 0.000 1.146 124 D CA 1.375 55.345 54.000 -0.050 0.000 0.662 124 D CB -0.800 39.983 40.800 -0.028 0.000 1.059 124 D HN 0.323 nan 8.370 nan 0.000 0.428 125 M N -0.365 119.189 119.600 -0.076 0.000 2.578 125 M HA 0.390 4.870 4.480 -0.000 0.000 0.321 125 M C 0.870 177.106 176.300 -0.107 0.000 1.182 125 M CA -0.475 54.774 55.300 -0.085 0.000 0.965 125 M CB 2.267 34.800 32.600 -0.112 0.000 1.694 125 M HN 0.034 nan 8.290 nan 0.000 0.461 126 T N -1.139 113.355 114.554 -0.101 0.000 2.927 126 T HA 0.816 5.166 4.350 -0.000 0.000 0.286 126 T C -0.952 173.649 174.700 -0.164 0.000 1.040 126 T CA -0.908 61.102 62.100 -0.150 0.000 1.010 126 T CB 1.951 70.731 68.868 -0.147 0.000 1.177 126 T HN 0.550 nan 8.240 nan 0.000 0.546 127 V N 0.494 120.284 119.914 -0.206 0.000 2.841 127 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 127 V C -1.335 174.645 176.094 -0.191 0.000 1.090 127 V CA -0.753 61.435 62.300 -0.187 0.000 0.930 127 V CB 2.173 33.875 31.823 -0.202 0.000 1.014 127 V HN 0.952 nan 8.190 nan 0.000 0.425 128 V N 7.499 127.361 119.914 -0.087 0.000 2.370 128 V HA 0.513 4.633 4.120 -0.000 0.000 0.283 128 V C -0.243 175.875 176.094 0.040 0.000 1.023 128 V CA -0.425 61.874 62.300 -0.001 0.000 0.857 128 V CB 1.405 33.312 31.823 0.138 0.000 0.985 128 V HN 0.685 nan 8.190 nan 0.000 0.443 129 L N 6.557 127.771 121.223 -0.015 0.000 2.305 129 L HA 0.560 4.900 4.340 -0.000 0.000 0.284 129 L C -0.710 176.118 176.870 -0.071 0.000 1.013 129 L CA -0.693 54.084 54.840 -0.106 0.000 0.819 129 L CB 1.200 43.164 42.059 -0.157 0.000 1.227 129 L HN 0.720 nan 8.230 nan 0.000 0.417 130 Y N 0.229 120.504 120.300 -0.041 0.000 2.361 130 Y HA 0.503 5.052 4.550 -0.000 0.000 0.332 130 Y C 0.028 175.915 175.900 -0.022 0.000 1.101 130 Y CA -1.071 57.056 58.100 0.046 0.000 1.137 130 Y CB 0.727 39.331 38.460 0.240 0.000 1.207 130 Y HN 0.328 nan 8.280 nan 0.000 0.463 131 F N 1.030 121.273 119.950 0.487 0.000 2.678 131 F HA 0.304 4.831 4.527 0.000 0.000 0.305 131 F C 0.447 176.530 175.800 0.473 0.000 1.090 131 F CA -0.142 58.104 58.000 0.409 0.000 1.272 131 F CB 0.156 39.379 39.000 0.371 0.000 1.060 131 F HN 0.643 nan 8.300 nan 0.000 0.576 132 N N -0.447 118.605 118.700 0.587 0.000 3.387 132 N HA 0.218 4.958 4.740 -0.000 0.000 0.294 132 N C -2.061 173.586 175.510 0.229 0.000 1.519 132 N CA -0.448 52.824 53.050 0.370 0.000 0.875 132 N CB 1.242 39.874 38.487 0.242 0.000 1.657 132 N HN -0.157 nan 8.380 nan 0.000 0.527 133 N N 0.476 119.172 118.700 -0.006 0.000 2.493 133 N HA 0.263 5.003 4.740 -0.000 0.000 0.279 133 N C -0.404 174.975 175.510 -0.217 0.000 1.082 133 N CA -0.416 52.576 53.050 -0.096 0.000 0.963 133 N CB 0.579 38.903 38.487 -0.273 0.000 1.627 133 N HN 0.461 nan 8.380 nan 0.000 0.499 134 F N 2.015 121.725 119.950 -0.399 0.000 2.234 134 F HA 0.215 4.741 4.527 -0.000 0.000 0.299 134 F C 0.316 175.798 175.800 -0.530 0.000 1.087 134 F CA 0.947 58.565 58.000 -0.637 0.000 1.340 134 F CB 0.236 38.708 39.000 -0.881 0.000 1.031 134 F HN 0.511 nan 8.300 nan 0.000 0.500 135 W N 0.367 121.726 121.300 0.098 0.000 2.365 135 W HA 0.226 4.886 4.660 0.000 0.000 0.410 135 W C 1.507 178.039 176.519 0.022 0.000 1.634 135 W CA -0.484 56.964 57.345 0.170 0.000 1.761 135 W CB -0.046 29.544 29.460 0.218 0.000 1.485 135 W HN -0.201 nan 8.180 nan 0.000 0.706 136 Q N 1.162 121.178 119.800 0.361 0.000 2.408 136 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 136 Q C 1.375 177.441 176.000 0.109 0.000 0.919 136 Q CA 0.765 56.688 55.803 0.201 0.000 0.932 136 Q CB -0.661 28.156 28.738 0.131 0.000 1.058 136 Q HN 0.902 nan 8.270 nan 0.000 0.517 137 W N 1.822 123.165 121.300 0.073 0.000 2.800 137 W HA 0.192 4.852 4.660 0.000 0.000 0.249 137 W C 0.492 176.944 176.519 -0.111 0.000 1.294 137 W CA 0.663 57.968 57.345 -0.066 0.000 1.402 137 W CB -0.436 28.919 29.460 -0.176 0.000 1.126 137 W HN 0.243 nan 8.180 nan 0.000 0.652 138 S N -0.763 114.796 115.700 -0.234 0.000 2.754 138 S HA 0.534 5.004 4.470 -0.000 0.000 0.247 138 S C 1.201 175.764 174.600 -0.062 0.000 1.031 138 S CA 0.274 58.397 58.200 -0.129 0.000 1.014 138 S CB 0.068 63.107 63.200 -0.268 0.000 0.918 138 S HN 0.488 nan 8.310 nan 0.000 0.519 139 G N 1.725 110.485 108.800 -0.066 0.000 5.426 139 G HA2 0.078 4.038 3.960 -0.000 0.000 0.297 139 G HA3 0.078 4.038 3.960 -0.000 0.000 0.297 139 G C 1.158 175.979 174.900 -0.132 0.000 1.422 139 G CA 0.422 45.461 45.100 -0.103 0.000 0.938 139 G HN 2.069 nan 8.290 nan 0.000 0.754 140 G N -0.806 107.937 108.800 -0.094 0.000 2.598 140 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.244 140 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.244 140 G C 0.998 175.799 174.900 -0.165 0.000 1.302 140 G CA 1.062 46.091 45.100 -0.118 0.000 0.903 140 G HN 1.443 nan 8.290 nan 0.000 0.575 141 M N 0.486 119.790 119.600 -0.493 0.000 2.108 141 M HA -0.092 4.387 4.480 -0.000 0.000 0.261 141 M C 2.970 179.009 176.300 -0.435 0.000 1.066 141 M CA 3.050 57.888 55.300 -0.770 0.000 1.107 141 M CB -0.783 31.108 32.600 -1.182 0.000 1.356 141 M HN 0.906 nan 8.290 nan 0.000 0.406 142 T N -2.184 112.086 114.554 -0.474 0.000 2.915 142 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 142 T C 1.673 176.206 174.700 -0.280 0.000 1.071 142 T CA 1.250 63.103 62.100 -0.412 0.000 1.132 142 T CB -0.268 68.275 68.868 -0.542 0.000 0.878 142 T HN 0.242 nan 8.240 nan 0.000 0.479 143 Q N 0.053 119.676 119.800 -0.295 0.000 2.123 143 Q HA 0.026 4.366 4.340 -0.000 0.000 0.199 143 Q C 1.722 177.329 176.000 -0.656 0.000 0.966 143 Q CA 1.273 56.755 55.803 -0.536 0.000 0.845 143 Q CB -0.748 27.608 28.738 -0.638 0.000 0.907 143 Q HN 0.693 nan 8.270 nan 0.000 0.439 144 Y N -0.689 119.378 120.300 -0.388 0.000 2.114 144 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 144 Y C 2.024 177.991 175.900 0.110 0.000 1.165 144 Y CA 1.600 59.730 58.100 0.050 0.000 1.148 144 Y CB -0.259 38.401 38.460 0.334 0.000 0.972 144 Y HN 0.182 nan 8.280 nan 0.000 0.504 145 M N -0.865 118.826 119.600 0.153 0.000 2.175 145 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 145 M C 2.443 178.762 176.300 0.033 0.000 1.063 145 M CA 1.390 56.740 55.300 0.084 0.000 1.119 145 M CB -1.775 30.804 32.600 -0.035 0.000 1.377 145 M HN 0.285 nan 8.290 nan 0.000 0.415 146 A N -0.400 122.371 122.820 -0.082 0.000 1.902 146 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 146 A C 1.984 179.600 177.584 0.053 0.000 1.181 146 A CA 1.326 53.316 52.037 -0.079 0.000 0.623 146 A CB -0.968 17.915 19.000 -0.196 0.000 0.818 146 A HN 0.559 nan 8.150 nan 0.000 0.443 147 W N -0.139 121.129 121.300 -0.054 0.000 2.381 147 W HA -0.038 4.622 4.660 0.000 0.000 0.301 147 W C 2.109 178.663 176.519 0.057 0.000 1.205 147 W CA 0.528 57.812 57.345 -0.101 0.000 1.285 147 W CB -1.053 28.151 29.460 -0.428 0.000 1.133 147 W HN 0.300 nan 8.180 nan 0.000 0.521 148 I N 0.050 120.857 120.570 0.394 0.000 2.252 148 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 148 I C 1.858 178.080 176.117 0.174 0.000 1.102 148 I CA 1.531 63.017 61.300 0.310 0.000 1.385 148 I CB -0.457 37.715 38.000 0.287 0.000 1.064 148 I HN -0.058 nan 8.210 nan 0.000 0.414 149 E N 0.267 120.544 120.200 0.130 0.000 2.442 149 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 149 E C 1.331 177.972 176.600 0.068 0.000 1.030 149 E CA 0.503 56.948 56.400 0.075 0.000 0.869 149 E CB 0.299 30.023 29.700 0.040 0.000 0.857 149 E HN 0.540 nan 8.360 nan 0.000 0.505 150 G N 1.954 110.809 108.800 0.092 0.000 2.160 150 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 150 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 150 G C -0.236 174.697 174.900 0.056 0.000 1.008 150 G CA 0.237 45.385 45.100 0.080 0.000 0.724 150 G HN 0.143 nan 8.290 nan 0.000 0.514 151 E N 0.508 120.734 120.200 0.043 0.000 2.234 151 E HA 0.403 4.753 4.350 -0.000 0.000 0.266 151 E C -2.391 174.213 176.600 0.007 0.000 0.877 151 E CA -1.777 54.635 56.400 0.020 0.000 0.758 151 E CB 2.611 32.315 29.700 0.005 0.000 1.170 151 E HN 0.221 nan 8.360 nan 0.000 0.415 152 P HA 0.085 nan 4.420 nan 0.000 0.272 152 P C 0.136 177.420 177.300 -0.027 0.000 1.223 152 P CA -0.399 62.698 63.100 -0.006 0.000 0.784 152 P CB 0.708 32.414 31.700 0.010 0.000 0.923 153 V N 2.830 122.718 119.914 -0.043 0.000 2.655 153 V HA -0.026 4.094 4.120 -0.000 0.000 0.300 153 V C 0.936 177.027 176.094 -0.005 0.000 1.044 153 V CA 0.346 62.626 62.300 -0.032 0.000 1.095 153 V CB -0.251 31.552 31.823 -0.033 0.000 0.952 153 V HN 0.490 nan 8.190 nan 0.000 0.485 154 Q N 2.741 122.544 119.800 0.005 0.000 2.360 154 Q HA 0.241 4.581 4.340 -0.000 0.000 0.254 154 Q C -0.493 175.494 176.000 -0.022 0.000 0.975 154 Q CA -0.633 55.163 55.803 -0.011 0.000 0.912 154 Q CB 1.099 29.824 28.738 -0.022 0.000 1.212 154 Q HN 0.658 nan 8.270 nan 0.000 0.452 155 D N 4.759 125.127 120.400 -0.053 0.000 2.412 155 D HA -0.015 4.625 4.640 -0.000 0.000 0.257 155 D C -1.407 174.730 176.300 -0.272 0.000 1.217 155 D CA -1.755 52.177 54.000 -0.114 0.000 0.897 155 D CB 1.070 41.839 40.800 -0.052 0.000 1.132 155 D HN 0.291 nan 8.370 nan 0.000 0.493 156 P HA -0.112 nan 4.420 nan 0.000 0.223 156 P C 0.815 177.681 177.300 -0.723 0.000 1.151 156 P CA 0.435 62.955 63.100 -0.966 0.000 0.787 156 P CB 0.427 30.919 31.700 -2.014 0.000 0.788 157 N N -0.164 118.337 118.700 -0.331 0.000 2.272 157 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 157 N C 1.693 177.152 175.510 -0.086 0.000 1.014 157 N CA 0.890 53.916 53.050 -0.040 0.000 0.870 157 N CB -0.670 37.862 38.487 0.075 0.000 0.975 157 N HN 0.094 nan 8.380 nan 0.000 0.433 158 V N 0.011 119.843 119.914 -0.136 0.000 2.492 158 V HA -0.066 4.054 4.120 -0.000 0.000 0.241 158 V C 2.323 178.350 176.094 -0.112 0.000 1.041 158 V CA 1.867 64.101 62.300 -0.111 0.000 1.057 158 V CB -0.578 31.190 31.823 -0.093 0.000 0.711 158 V HN 0.444 nan 8.190 nan 0.000 0.468 159 T N -2.761 111.696 114.554 -0.161 0.000 3.043 159 T HA -0.038 4.311 4.350 -0.000 0.000 0.263 159 T C 1.280 175.901 174.700 -0.133 0.000 1.094 159 T CA 0.900 62.918 62.100 -0.137 0.000 1.127 159 T CB -0.422 68.358 68.868 -0.146 0.000 0.905 159 T HN 0.380 nan 8.240 nan 0.000 0.490 160 N N 1.059 119.637 118.700 -0.203 0.000 2.708 160 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 160 N C -0.878 174.554 175.510 -0.131 0.000 1.123 160 N CA 0.857 53.835 53.050 -0.121 0.000 0.739 160 N CB -1.258 37.273 38.487 0.073 0.000 1.113 160 N HN 0.538 nan 8.380 nan 0.000 0.561 161 E N -0.636 119.411 120.200 -0.255 0.000 2.122 161 E HA 0.049 4.399 4.350 -0.000 0.000 0.288 161 E C 0.503 177.064 176.600 -0.066 0.000 1.260 161 E CA -0.214 56.130 56.400 -0.093 0.000 1.344 161 E CB -0.764 28.899 29.700 -0.061 0.000 1.337 161 E HN 0.523 nan 8.360 nan 0.000 0.484 162 W N 0.808 122.175 121.300 0.112 0.000 2.418 162 W HA -0.070 4.590 4.660 -0.000 0.000 0.292 162 W C 1.974 178.633 176.519 0.234 0.000 1.213 162 W CA 0.261 57.714 57.345 0.179 0.000 1.283 162 W CB 0.372 29.909 29.460 0.128 0.000 1.119 162 W HN 0.248 nan 8.180 nan 0.000 0.542 163 E N 0.179 120.596 120.200 0.360 0.000 2.077 163 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 163 E C 2.248 178.962 176.600 0.189 0.000 0.989 163 E CA 1.496 58.050 56.400 0.256 0.000 0.800 163 E CB -0.852 28.953 29.700 0.175 0.000 0.746 163 E HN 0.270 nan 8.360 nan 0.000 0.452 164 A N 0.767 123.673 122.820 0.143 0.000 1.898 164 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 164 A C 2.072 179.691 177.584 0.058 0.000 1.181 164 A CA 1.023 53.104 52.037 0.073 0.000 0.620 164 A CB -0.784 18.241 19.000 0.041 0.000 0.819 164 A HN 0.266 nan 8.150 nan 0.000 0.442 165 F N 0.426 120.361 119.950 -0.024 0.000 2.095 165 F HA -0.209 4.318 4.527 0.000 0.000 0.298 165 F C 2.338 178.090 175.800 -0.079 0.000 1.104 165 F CA 2.228 60.186 58.000 -0.071 0.000 1.232 165 F CB -0.234 38.711 39.000 -0.091 0.000 0.987 165 F HN 0.148 nan 8.300 nan 0.000 0.475 166 M N -0.177 119.557 119.600 0.223 0.000 2.159 166 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 166 M C 2.459 178.743 176.300 -0.026 0.000 1.063 166 M CA 1.549 56.932 55.300 0.138 0.000 1.110 166 M CB -0.795 32.090 32.600 0.475 0.000 1.374 166 M HN 0.319 nan 8.290 nan 0.000 0.411 167 A N 0.509 123.327 122.820 -0.003 0.000 1.902 167 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 167 A C 2.115 179.600 177.584 -0.164 0.000 1.181 167 A CA 2.012 54.024 52.037 -0.042 0.000 0.623 167 A CB -0.524 18.471 19.000 -0.007 0.000 0.818 167 A HN 0.309 nan 8.150 nan 0.000 0.443 168 K N 0.102 120.343 120.400 -0.264 0.000 2.057 168 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 168 K C 2.256 178.566 176.600 -0.484 0.000 1.049 168 K CA 1.807 57.893 56.287 -0.335 0.000 0.931 168 K CB -0.607 31.672 32.500 -0.368 0.000 0.714 168 K HN 0.320 nan 8.250 nan 0.000 0.440 169 S N -0.568 114.678 115.700 -0.757 0.000 2.368 169 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 169 S C 1.865 176.035 174.600 -0.717 0.000 1.030 169 S CA 1.218 58.822 58.200 -0.993 0.000 0.999 169 S CB -0.469 61.667 63.200 -1.772 0.000 0.844 169 S HN 0.470 nan 8.310 nan 0.000 0.459 170 A N 0.972 123.543 122.820 -0.415 0.000 2.121 170 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 170 A C 2.233 179.626 177.584 -0.318 0.000 1.154 170 A CA 1.689 53.556 52.037 -0.284 0.000 0.679 170 A CB -0.855 18.213 19.000 0.114 0.000 0.795 170 A HN 0.735 nan 8.150 nan 0.000 0.458 171 S N -0.796 114.757 115.700 -0.245 0.000 2.442 171 S HA -0.200 4.270 4.470 -0.000 0.000 0.236 171 S C 1.708 176.194 174.600 -0.190 0.000 1.007 171 S CA 1.159 59.261 58.200 -0.164 0.000 0.965 171 S CB -0.884 62.239 63.200 -0.129 0.000 0.773 171 S HN 0.656 nan 8.310 nan 0.000 0.504 172 F N 2.269 121.916 119.950 -0.505 0.000 2.120 172 F HA -0.203 4.324 4.527 0.000 0.000 0.300 172 F C 1.800 177.313 175.800 -0.477 0.000 1.095 172 F CA 1.555 59.235 58.000 -0.534 0.000 1.249 172 F CB -0.572 37.978 39.000 -0.749 0.000 0.995 172 F HN 0.181 nan 8.300 nan 0.000 0.480 173 Y N 0.484 120.582 120.300 -0.337 0.000 2.352 173 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 173 Y C 2.260 177.995 175.900 -0.275 0.000 1.136 173 Y CA 1.167 58.979 58.100 -0.480 0.000 1.227 173 Y CB -0.904 37.342 38.460 -0.356 0.000 0.991 173 Y HN 0.064 nan 8.280 nan 0.000 0.545 174 R N -0.351 120.109 120.500 -0.066 0.000 2.310 174 R HA 0.115 4.455 4.340 -0.000 0.000 0.202 174 R C 0.559 176.812 176.300 -0.077 0.000 0.933 174 R CA 0.279 56.354 56.100 -0.041 0.000 1.054 174 R CB 0.165 30.454 30.300 -0.019 0.000 0.985 174 R HN 0.018 nan 8.270 nan 0.000 0.489 175 S N 0.854 116.470 115.700 -0.141 0.000 2.422 175 S HA 0.120 4.589 4.470 -0.000 0.000 0.308 175 S C 0.873 175.399 174.600 -0.123 0.000 1.097 175 S CA -0.624 57.509 58.200 -0.112 0.000 1.099 175 S CB 1.325 64.463 63.200 -0.103 0.000 0.976 175 S HN 0.164 nan 8.310 nan 0.000 0.471 176 E N 3.262 123.416 120.200 -0.076 0.000 2.077 176 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 176 E C 1.596 178.148 176.600 -0.080 0.000 0.989 176 E CA 1.017 57.374 56.400 -0.072 0.000 0.800 176 E CB -0.043 29.627 29.700 -0.050 0.000 0.746 176 E HN 0.620 nan 8.360 nan 0.000 0.452 177 K N 1.463 121.823 120.400 -0.066 0.000 2.026 177 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 177 K C 1.896 178.441 176.600 -0.092 0.000 1.048 177 K CA 1.543 57.782 56.287 -0.081 0.000 0.929 177 K CB -0.434 32.038 32.500 -0.046 0.000 0.713 177 K HN 0.081 nan 8.250 nan 0.000 0.439 178 A N 0.524 123.318 122.820 -0.043 0.000 1.902 178 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 178 A C 2.066 179.605 177.584 -0.074 0.000 1.181 178 A CA 1.568 53.627 52.037 0.036 0.000 0.623 178 A CB -0.558 18.402 19.000 -0.067 0.000 0.818 178 A HN 0.410 nan 8.150 nan 0.000 0.443 179 Q N -0.280 119.404 119.800 -0.194 0.000 2.119 179 Q HA -0.181 4.158 4.340 -0.000 0.000 0.201 179 Q C 2.136 178.133 176.000 -0.005 0.000 0.972 179 Q CA 1.679 57.427 55.803 -0.092 0.000 0.847 179 Q CB -0.521 28.163 28.738 -0.090 0.000 0.903 179 Q HN 0.832 nan 8.270 nan 0.000 0.433 180 Q N 0.267 120.031 119.800 -0.060 0.000 2.096 180 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 180 Q C 1.917 177.897 176.000 -0.035 0.000 0.982 180 Q CA 1.147 56.903 55.803 -0.079 0.000 0.850 180 Q CB 0.079 28.757 28.738 -0.100 0.000 0.901 180 Q HN 0.312 nan 8.270 nan 0.000 0.422 181 E N -0.255 119.939 120.200 -0.011 0.000 2.107 181 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 181 E C 1.715 178.548 176.600 0.387 0.000 0.982 181 E CA 0.757 57.187 56.400 0.050 0.000 0.809 181 E CB -0.292 29.231 29.700 -0.295 0.000 0.756 181 E HN 0.404 nan 8.360 nan 0.000 0.459 182 Y N 2.175 122.705 120.300 0.384 0.000 2.145 182 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 182 Y C 2.261 178.265 175.900 0.173 0.000 1.145 182 Y CA 1.691 60.037 58.100 0.410 0.000 1.148 182 Y CB -0.110 38.557 38.460 0.345 0.000 0.981 182 Y HN -0.108 nan 8.280 nan 0.000 0.507 183 R N 0.215 120.681 120.500 -0.057 0.000 2.096 183 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 183 R C 2.286 178.514 176.300 -0.120 0.000 1.127 183 R CA 1.680 57.593 56.100 -0.312 0.000 0.968 183 R CB -0.231 29.710 30.300 -0.598 0.000 0.861 183 R HN 0.345 nan 8.270 nan 0.000 0.440 184 K N -0.388 120.000 120.400 -0.021 0.000 2.103 184 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 184 K C 2.061 178.695 176.600 0.057 0.000 1.048 184 K CA 1.728 58.042 56.287 0.046 0.000 0.930 184 K CB -0.096 32.460 32.500 0.093 0.000 0.716 184 K HN 0.135 nan 8.250 nan 0.000 0.444 185 T N 1.873 116.490 114.554 0.104 0.000 2.777 185 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 185 T C 1.867 176.435 174.700 -0.219 0.000 1.040 185 T CA 0.839 62.978 62.100 0.064 0.000 1.141 185 T CB -0.133 68.925 68.868 0.315 0.000 0.868 185 T HN 0.096 nan 8.240 nan 0.000 0.444 186 L N 0.922 121.900 121.223 -0.408 0.000 2.013 186 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 186 L C 2.929 179.498 176.870 -0.502 0.000 1.073 186 L CA 1.482 55.876 54.840 -0.744 0.000 0.753 186 L CB -0.528 41.126 42.059 -0.674 0.000 0.890 186 L HN 0.263 nan 8.230 nan 0.000 0.432 187 E N 0.736 120.790 120.200 -0.242 0.000 2.077 187 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 187 E C 2.119 178.595 176.600 -0.207 0.000 0.989 187 E CA 1.497 57.787 56.400 -0.183 0.000 0.800 187 E CB 0.109 29.789 29.700 -0.032 0.000 0.746 187 E HN 0.223 nan 8.360 nan 0.000 0.452 188 K N 0.688 120.964 120.400 -0.208 0.000 2.063 188 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 188 K C 2.019 178.450 176.600 -0.282 0.000 1.048 188 K CA 1.342 57.475 56.287 -0.257 0.000 0.928 188 K CB -0.243 31.984 32.500 -0.456 0.000 0.713 188 K HN 0.124 nan 8.250 nan 0.000 0.442 189 I N 0.299 120.711 120.570 -0.264 0.000 2.339 189 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 189 I C 2.278 178.282 176.117 -0.188 0.000 1.096 189 I CA 0.897 62.102 61.300 -0.158 0.000 1.408 189 I CB -0.696 37.399 38.000 0.158 0.000 1.092 189 I HN 0.132 nan 8.210 nan 0.000 0.423 190 I N 1.243 121.614 120.570 -0.332 0.000 2.286 190 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 190 I C 2.225 178.285 176.117 -0.095 0.000 1.115 190 I CA 1.839 62.922 61.300 -0.362 0.000 1.392 190 I CB -0.366 37.234 38.000 -0.667 0.000 1.065 190 I HN 0.297 nan 8.210 nan 0.000 0.418 191 T N -1.632 112.830 114.554 -0.153 0.000 3.169 191 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 191 T C 0.920 175.541 174.700 -0.132 0.000 1.111 191 T CA -0.367 61.679 62.100 -0.090 0.000 1.010 191 T CB -0.274 68.541 68.868 -0.088 0.000 0.984 191 T HN 0.157 nan 8.240 nan 0.000 0.537 192 R N 0.966 121.292 120.500 -0.291 0.000 2.679 192 R HA 0.343 4.683 4.340 -0.000 0.000 0.268 192 R C -0.845 175.269 176.300 -0.310 0.000 1.044 192 R CA -0.202 55.630 56.100 -0.446 0.000 1.105 192 R CB 0.377 30.106 30.300 -0.952 0.000 0.989 192 R HN 0.146 nan 8.270 nan 0.000 0.447 193 V N 4.719 124.540 119.914 -0.154 0.000 2.427 193 V HA 0.083 4.203 4.120 -0.000 0.000 0.286 193 V C 0.284 176.414 176.094 0.060 0.000 1.034 193 V CA -0.863 61.443 62.300 0.009 0.000 0.893 193 V CB 1.406 33.247 31.823 0.031 0.000 0.982 193 V HN 0.780 nan 8.190 nan 0.000 0.452 194 N N 2.920 121.765 118.700 0.241 0.000 2.440 194 N HA -0.042 4.698 4.740 -0.000 0.000 0.265 194 N C 1.386 176.984 175.510 0.147 0.000 1.239 194 N CA 0.716 53.935 53.050 0.282 0.000 0.909 194 N CB 1.411 40.060 38.487 0.270 0.000 1.066 194 N HN 0.840 nan 8.380 nan 0.000 0.474 195 S N 3.756 119.530 115.700 0.123 0.000 2.481 195 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 195 S C 1.802 176.455 174.600 0.088 0.000 0.996 195 S CA 0.380 58.632 58.200 0.087 0.000 0.942 195 S CB -0.058 63.188 63.200 0.077 0.000 0.768 195 S HN 0.636 nan 8.310 nan 0.000 0.520 196 I N 2.532 123.164 120.570 0.103 0.000 2.499 196 I HA -0.010 4.160 4.170 -0.000 0.000 0.243 196 I C 2.124 178.283 176.117 0.070 0.000 1.085 196 I CA 1.083 62.439 61.300 0.092 0.000 1.422 196 I CB -0.304 37.763 38.000 0.112 0.000 1.165 196 I HN 0.403 nan 8.210 nan 0.000 0.440 197 N N 0.769 119.509 118.700 0.067 0.000 2.254 197 N HA 0.096 4.836 4.740 -0.000 0.000 0.190 197 N C 1.319 176.865 175.510 0.059 0.000 1.107 197 N CA 0.733 53.813 53.050 0.051 0.000 0.869 197 N CB 0.429 38.935 38.487 0.032 0.000 0.983 197 N HN 0.337 nan 8.380 nan 0.000 0.487 198 G N 0.008 108.853 108.800 0.076 0.000 2.162 198 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 198 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 198 G C -0.354 174.600 174.900 0.090 0.000 0.976 198 G CA 0.257 45.401 45.100 0.074 0.000 0.655 198 G HN 0.462 nan 8.290 nan 0.000 0.533 199 K N 0.879 121.345 120.400 0.110 0.000 2.276 199 K HA 0.600 4.920 4.320 -0.000 0.000 0.283 199 K C 0.901 177.621 176.600 0.199 0.000 1.044 199 K CA 0.134 56.499 56.287 0.130 0.000 0.944 199 K CB 1.198 33.765 32.500 0.113 0.000 1.012 199 K HN 0.498 nan 8.250 nan 0.000 0.472 200 A N 3.015 125.949 122.820 0.190 0.000 2.498 200 A HA -0.034 4.286 4.320 -0.000 0.000 0.239 200 A C 0.391 178.208 177.584 0.388 0.000 1.068 200 A CA 0.025 52.206 52.037 0.240 0.000 0.766 200 A CB 0.010 19.120 19.000 0.183 0.000 1.003 200 A HN 0.740 nan 8.150 nan 0.000 0.497 201 Y N 2.024 122.441 120.300 0.195 0.000 2.207 201 Y HA -0.184 4.366 4.550 0.000 0.000 0.287 201 Y C 2.619 178.770 175.900 0.418 0.000 1.156 201 Y CA 1.925 60.191 58.100 0.277 0.000 1.182 201 Y CB -0.989 37.686 38.460 0.359 0.000 0.979 201 Y HN 0.586 nan 8.280 nan 0.000 0.521 202 V N -2.300 117.966 119.914 0.587 0.000 2.867 202 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 202 V C 1.126 177.543 176.094 0.538 0.000 1.099 202 V CA 2.163 64.833 62.300 0.618 0.000 1.122 202 V CB -0.377 31.702 31.823 0.426 0.000 0.708 202 V HN 0.160 nan 8.190 nan 0.000 0.490 203 D N -0.084 120.566 120.400 0.415 0.000 2.349 203 D HA 0.142 4.782 4.640 -0.000 0.000 0.214 203 D C 0.293 176.807 176.300 0.356 0.000 1.063 203 D CA 0.426 54.645 54.000 0.365 0.000 0.847 203 D CB 0.094 41.020 40.800 0.210 0.000 0.933 203 D HN 0.530 nan 8.370 nan 0.000 0.513 204 D N 0.361 120.914 120.400 0.254 0.000 2.359 204 D HA 0.296 4.936 4.640 -0.000 0.000 0.230 204 D C 0.814 177.004 176.300 -0.184 0.000 1.118 204 D CA -0.468 53.558 54.000 0.043 0.000 0.844 204 D CB 1.328 42.098 40.800 -0.050 0.000 1.059 204 D HN -0.082 nan 8.370 nan 0.000 0.493 205 A N 3.009 125.711 122.820 -0.197 0.000 2.209 205 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 205 A C 1.899 179.289 177.584 -0.324 0.000 1.158 205 A CA 0.785 52.570 52.037 -0.419 0.000 0.742 205 A CB -0.214 18.763 19.000 -0.038 0.000 0.790 205 A HN 0.588 nan 8.150 nan 0.000 0.472 206 T N 0.424 114.822 114.554 -0.260 0.000 2.867 206 T HA 0.026 4.375 4.350 -0.000 0.000 0.268 206 T C 0.752 175.247 174.700 -0.341 0.000 1.057 206 T CA 0.652 62.596 62.100 -0.260 0.000 1.136 206 T CB -0.381 68.349 68.868 -0.230 0.000 0.874 206 T HN 0.427 nan 8.240 nan 0.000 0.466 207 I N 2.199 122.497 120.570 -0.453 0.000 2.379 207 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 207 I C 1.439 177.214 176.117 -0.571 0.000 1.063 207 I CA -0.107 60.807 61.300 -0.644 0.000 1.351 207 I CB 0.966 38.308 38.000 -1.096 0.000 1.410 207 I HN 0.171 nan 8.210 nan 0.000 0.505 208 M N 4.455 123.795 119.600 -0.434 0.000 2.193 208 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 208 M C 0.626 176.768 176.300 -0.263 0.000 1.071 208 M CA 1.513 56.615 55.300 -0.329 0.000 1.140 208 M CB 0.413 32.841 32.600 -0.286 0.000 1.369 208 M HN 0.579 nan 8.290 nan 0.000 0.423 209 S N -1.266 114.253 115.700 -0.302 0.000 2.537 209 S HA 0.397 4.867 4.470 -0.000 0.000 0.270 209 S C -2.186 172.298 174.600 -0.194 0.000 1.142 209 S CA -0.870 57.259 58.200 -0.118 0.000 0.870 209 S CB 0.736 64.086 63.200 0.250 0.000 1.112 209 S HN 0.431 nan 8.310 nan 0.000 0.466 210 W N 2.351 123.728 121.300 0.129 0.000 2.315 210 W HA 0.596 5.256 4.660 0.000 0.000 0.316 210 W C 0.423 177.092 176.519 0.251 0.000 1.211 210 W CA -0.497 56.974 57.345 0.209 0.000 1.201 210 W CB 0.822 30.480 29.460 0.330 0.000 1.184 210 W HN 0.620 nan 8.180 nan 0.000 0.544 211 Q N 2.736 122.859 119.800 0.539 0.000 2.337 211 Q HA 0.267 4.607 4.340 -0.000 0.000 0.270 211 Q C 0.451 176.788 176.000 0.561 0.000 1.043 211 Q CA -0.542 55.534 55.803 0.456 0.000 0.794 211 Q CB 1.732 30.719 28.738 0.414 0.000 1.281 211 Q HN 0.668 nan 8.270 nan 0.000 0.446 212 L N 1.634 123.142 121.223 0.474 0.000 2.012 212 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 212 L C 0.716 178.005 176.870 0.700 0.000 1.073 212 L CA 1.472 56.644 54.840 0.553 0.000 0.748 212 L CB -0.345 41.898 42.059 0.306 0.000 0.891 212 L HN 0.719 nan 8.230 nan 0.000 0.431 213 A N -1.249 121.908 122.820 0.562 0.000 2.566 213 A HA 0.406 4.726 4.320 -0.000 0.000 0.290 213 A C -1.341 176.434 177.584 0.319 0.000 1.071 213 A CA -0.656 51.668 52.037 0.479 0.000 0.658 213 A CB 0.611 19.860 19.000 0.415 0.000 1.285 213 A HN 0.052 nan 8.150 nan 0.000 0.427 214 N N 1.287 120.101 118.700 0.190 0.000 2.401 214 N HA 0.363 5.103 4.740 -0.000 0.000 0.255 214 N C -0.359 175.262 175.510 0.184 0.000 1.110 214 N CA 0.773 53.852 53.050 0.047 0.000 0.949 214 N CB -0.245 38.210 38.487 -0.054 0.000 1.110 214 N HN 0.611 nan 8.380 nan 0.000 0.490 215 E N 0.417 120.754 120.200 0.229 0.000 2.320 215 E HA -0.165 4.184 4.350 -0.000 0.000 0.234 215 E C -2.240 174.347 176.600 -0.022 0.000 1.183 215 E CA 0.043 56.546 56.400 0.171 0.000 0.713 215 E CB -1.246 28.701 29.700 0.412 0.000 1.226 215 E HN 0.604 nan 8.360 nan 0.000 0.382 216 P HA 0.049 nan 4.420 nan 0.000 0.267 216 P C -0.188 177.051 177.300 -0.102 0.000 1.205 216 P CA 0.660 63.811 63.100 0.085 0.000 0.765 216 P CB 0.659 32.614 31.700 0.425 0.000 0.828 217 R N 3.918 123.967 120.500 -0.752 0.000 2.854 217 R HA 0.407 4.747 4.340 -0.000 0.000 0.271 217 R C -1.819 174.145 176.300 -0.559 0.000 0.996 217 R CA -2.018 53.599 56.100 -0.805 0.000 0.961 217 R CB 1.135 30.766 30.300 -1.115 0.000 1.182 217 R HN 0.165 nan 8.270 nan 0.000 0.479 218 P HA 0.023 nan 4.420 nan 0.000 0.229 218 P C 0.107 177.395 177.300 -0.020 0.000 1.160 218 P CA 0.716 63.560 63.100 -0.426 0.000 0.777 218 P CB 0.465 31.843 31.700 -0.538 0.000 0.814 219 G N -1.023 107.767 108.800 -0.018 0.000 2.403 219 G HA2 0.074 4.034 3.960 -0.000 0.000 0.223 219 G HA3 0.074 4.034 3.960 -0.000 0.000 0.223 219 G C -1.350 173.617 174.900 0.111 0.000 1.287 219 G CA -0.239 44.929 45.100 0.113 0.000 0.982 219 G HN 0.282 nan 8.290 nan 0.000 0.471 220 N N -0.832 117.934 118.700 0.110 0.000 2.593 220 N HA 0.480 5.220 4.740 -0.000 0.000 0.304 220 N C 1.658 177.213 175.510 0.076 0.000 1.296 220 N CA 0.837 53.965 53.050 0.131 0.000 0.950 220 N CB 0.612 39.189 38.487 0.150 0.000 1.127 220 N HN 1.066 nan 8.380 nan 0.000 0.587 221 S N -1.969 113.780 115.700 0.081 0.000 2.474 221 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 221 S C 0.742 175.365 174.600 0.037 0.000 0.997 221 S CA 0.687 58.918 58.200 0.051 0.000 0.949 221 S CB -0.577 62.658 63.200 0.058 0.000 0.766 221 S HN 0.641 nan 8.310 nan 0.000 0.517 222 Q N 1.448 121.274 119.800 0.042 0.000 2.211 222 Q HA 0.224 4.564 4.340 -0.000 0.000 0.231 222 Q C -0.593 175.422 176.000 0.025 0.000 0.865 222 Q CA -0.233 55.589 55.803 0.032 0.000 0.997 222 Q CB 0.518 29.277 28.738 0.035 0.000 1.101 222 Q HN 0.378 nan 8.270 nan 0.000 0.468 223 T N 2.314 116.880 114.554 0.019 0.000 2.934 223 T HA 0.031 4.381 4.350 -0.000 0.000 0.306 223 T C 0.705 175.409 174.700 0.008 0.000 1.042 223 T CA 0.266 62.373 62.100 0.012 0.000 1.145 223 T CB 0.642 69.504 68.868 -0.009 0.000 0.982 223 T HN 0.349 nan 8.240 nan 0.000 0.544 224 T N 0.387 114.948 114.554 0.012 0.000 2.847 224 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 224 T C 1.751 176.457 174.700 0.009 0.000 0.984 224 T CA -0.531 61.575 62.100 0.011 0.000 0.988 224 T CB 0.959 69.835 68.868 0.013 0.000 1.040 224 T HN 0.517 nan 8.240 nan 0.000 0.528 225 A N 0.075 122.900 122.820 0.008 0.000 1.908 225 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 225 A C 2.286 179.877 177.584 0.011 0.000 1.181 225 A CA 2.019 54.061 52.037 0.009 0.000 0.627 225 A CB -1.192 17.813 19.000 0.008 0.000 0.818 225 A HN 1.045 nan 8.150 nan 0.000 0.445 226 E N -0.230 119.978 120.200 0.013 0.000 2.077 226 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 226 E C 1.892 178.507 176.600 0.024 0.000 0.989 226 E CA 1.489 57.898 56.400 0.015 0.000 0.800 226 E CB -0.145 29.564 29.700 0.014 0.000 0.746 226 E HN 0.759 nan 8.360 nan 0.000 0.452 227 E N 0.258 120.475 120.200 0.028 0.000 2.106 227 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 227 E C 2.076 178.705 176.600 0.049 0.000 0.984 227 E CA 1.079 57.507 56.400 0.046 0.000 0.806 227 E CB 0.092 29.819 29.700 0.044 0.000 0.750 227 E HN 0.176 nan 8.360 nan 0.000 0.458 228 K N 0.419 120.834 120.400 0.025 0.000 2.057 228 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 228 K C 2.260 178.895 176.600 0.058 0.000 1.049 228 K CA 1.294 57.598 56.287 0.029 0.000 0.931 228 K CB -0.064 32.442 32.500 0.011 0.000 0.714 228 K HN -0.058 nan 8.250 nan 0.000 0.440 229 Q N 1.223 121.039 119.800 0.027 0.000 2.119 229 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 229 Q C 1.773 177.767 176.000 -0.010 0.000 0.972 229 Q CA 1.344 57.147 55.803 -0.001 0.000 0.847 229 Q CB -0.094 28.640 28.738 -0.006 0.000 0.903 229 Q HN 0.301 nan 8.270 nan 0.000 0.433 230 I N -0.466 120.117 120.570 0.021 0.000 2.226 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 230 I C 1.957 178.073 176.117 -0.002 0.000 1.100 230 I CA 1.408 62.724 61.300 0.027 0.000 1.374 230 I CB -0.366 37.673 38.000 0.065 0.000 1.057 230 I HN 0.297 nan 8.210 nan 0.000 0.413 231 Y N 1.656 121.856 120.300 -0.167 0.000 2.114 231 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 231 Y C 2.375 178.152 175.900 -0.204 0.000 1.143 231 Y CA 1.689 59.596 58.100 -0.321 0.000 1.135 231 Y CB -0.259 38.039 38.460 -0.271 0.000 0.980 231 Y HN -0.000 nan 8.280 nan 0.000 0.499 232 I N 0.439 120.937 120.570 -0.120 0.000 2.118 232 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 232 I C 1.953 177.732 176.117 -0.564 0.000 1.070 232 I CA 1.879 62.962 61.300 -0.362 0.000 1.327 232 I CB -0.511 37.338 38.000 -0.252 0.000 1.034 232 I HN 0.259 nan 8.210 nan 0.000 0.405 233 D N -0.391 119.803 120.400 -0.342 0.000 2.178 233 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 233 D C 1.649 177.856 176.300 -0.154 0.000 0.980 233 D CA 0.995 54.840 54.000 -0.259 0.000 0.842 233 D CB -0.338 40.398 40.800 -0.106 0.000 0.948 233 D HN 0.492 nan 8.370 nan 0.000 0.472 234 W N 1.465 122.570 121.300 -0.324 0.000 2.355 234 W HA -0.192 4.468 4.660 -0.000 0.000 0.309 234 W C 2.049 178.415 176.519 -0.255 0.000 1.206 234 W CA 1.147 58.324 57.345 -0.279 0.000 1.284 234 W CB -0.418 28.797 29.460 -0.408 0.000 1.145 234 W HN -0.237 nan 8.180 nan 0.000 0.502 235 V N 0.559 120.219 119.914 -0.425 0.000 2.287 235 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 235 V C 2.308 178.215 176.094 -0.312 0.000 1.053 235 V CA 2.478 64.450 62.300 -0.547 0.000 1.027 235 V CB -1.372 30.145 31.823 -0.511 0.000 0.646 235 V HN 0.311 nan 8.190 nan 0.000 0.447 236 H N -0.132 118.743 119.070 -0.325 0.000 2.319 236 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 236 H C 2.337 177.544 175.328 -0.202 0.000 1.092 236 H CA 1.208 57.122 56.048 -0.223 0.000 1.302 236 H CB -0.053 29.615 29.762 -0.156 0.000 1.373 236 H HN 0.489 nan 8.280 nan 0.000 0.497 237 A N 1.043 123.815 122.820 -0.080 0.000 1.930 237 A HA -0.034 4.285 4.320 -0.000 0.000 0.217 237 A C 2.537 180.046 177.584 -0.124 0.000 1.175 237 A CA 1.191 53.177 52.037 -0.086 0.000 0.627 237 A CB -0.637 18.317 19.000 -0.078 0.000 0.815 237 A HN 0.456 nan 8.150 nan 0.000 0.443 238 A N -0.132 122.504 122.820 -0.308 0.000 1.897 238 A HA 0.250 4.570 4.320 -0.000 0.000 0.215 238 A C 2.479 179.990 177.584 -0.121 0.000 1.181 238 A CA 1.797 53.677 52.037 -0.261 0.000 0.620 238 A CB -0.935 17.686 19.000 -0.632 0.000 0.821 238 A HN 0.965 nan 8.150 nan 0.000 0.443 239 A N -0.071 122.655 122.820 -0.157 0.000 1.902 239 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 239 A C 2.471 180.030 177.584 -0.042 0.000 1.181 239 A CA 1.972 53.967 52.037 -0.071 0.000 0.623 239 A CB -0.932 18.018 19.000 -0.082 0.000 0.818 239 A HN 1.007 nan 8.150 nan 0.000 0.443 240 A N -1.538 121.255 122.820 -0.045 0.000 1.930 240 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 240 A C 2.119 179.697 177.584 -0.010 0.000 1.175 240 A CA 1.624 53.643 52.037 -0.029 0.000 0.627 240 A CB -0.770 18.216 19.000 -0.023 0.000 0.815 240 A HN 0.715 nan 8.150 nan 0.000 0.443 241 Y N 0.577 120.815 120.300 -0.104 0.000 2.145 241 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 241 Y C 1.960 177.785 175.900 -0.124 0.000 1.145 241 Y CA 1.705 59.737 58.100 -0.113 0.000 1.148 241 Y CB -0.321 38.060 38.460 -0.131 0.000 0.981 241 Y HN 0.267 nan 8.280 nan 0.000 0.507 242 I N 0.113 120.545 120.570 -0.231 0.000 2.286 242 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 242 I C 2.142 178.133 176.117 -0.211 0.000 1.115 242 I CA 1.287 62.407 61.300 -0.299 0.000 1.392 242 I CB -0.364 37.563 38.000 -0.120 0.000 1.065 242 I HN 0.106 nan 8.210 nan 0.000 0.418 243 K N 0.455 120.786 120.400 -0.115 0.000 2.283 243 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 243 K C 2.102 178.624 176.600 -0.129 0.000 1.048 243 K CA 1.789 58.033 56.287 -0.072 0.000 0.948 243 K CB -0.791 31.682 32.500 -0.044 0.000 0.742 243 K HN 0.502 nan 8.250 nan 0.000 0.458 244 T N -1.165 113.268 114.554 -0.202 0.000 2.951 244 T HA -0.007 4.343 4.350 -0.000 0.000 0.268 244 T C 1.991 176.555 174.700 -0.226 0.000 1.073 244 T CA 0.623 62.603 62.100 -0.201 0.000 1.134 244 T CB -0.161 68.585 68.868 -0.203 0.000 0.884 244 T HN 0.078 nan 8.240 nan 0.000 0.479 245 L N 0.181 121.218 121.223 -0.311 0.000 2.307 245 L HA 0.323 4.663 4.340 -0.000 0.000 0.211 245 L C 0.595 177.419 176.870 -0.077 0.000 1.099 245 L CA 0.495 55.190 54.840 -0.243 0.000 0.816 245 L CB 0.124 41.953 42.059 -0.383 0.000 0.952 245 L HN 0.279 nan 8.230 nan 0.000 0.455 246 D N -0.668 119.719 120.400 -0.020 0.000 2.354 246 D HA 0.255 4.895 4.640 -0.000 0.000 0.230 246 D C 0.232 176.585 176.300 0.088 0.000 1.361 246 D CA -0.050 54.044 54.000 0.157 0.000 0.992 246 D CB 1.686 42.730 40.800 0.407 0.000 1.409 246 D HN -0.008 nan 8.370 nan 0.000 0.573 247 A N 2.797 125.564 122.820 -0.088 0.000 2.119 247 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 247 A C 1.040 178.400 177.584 -0.374 0.000 1.152 247 A CA 1.104 52.944 52.037 -0.328 0.000 0.708 247 A CB -0.211 18.429 19.000 -0.601 0.000 0.805 247 A HN 0.675 nan 8.150 nan 0.000 0.460 248 H N -2.373 116.777 119.070 0.134 0.000 2.695 248 H HA 0.190 4.746 4.556 -0.000 0.000 0.267 248 H C 0.371 175.854 175.328 0.258 0.000 0.973 248 H CA -0.208 55.904 56.048 0.107 0.000 1.223 248 H CB 0.114 29.823 29.762 -0.089 0.000 1.442 248 H HN 0.403 nan 8.280 nan 0.000 0.478 249 H N 1.248 120.610 119.070 0.487 0.000 2.771 249 H HA 0.061 4.617 4.556 -0.000 0.000 0.364 249 H C 0.397 175.858 175.328 0.222 0.000 1.133 249 H CA 0.062 56.273 56.048 0.272 0.000 1.423 249 H CB 0.856 30.604 29.762 -0.023 0.000 1.425 249 H HN 0.128 nan 8.280 nan 0.000 0.606 250 L N 1.644 123.049 121.223 0.303 0.000 2.467 250 L HA 0.140 4.480 4.340 -0.000 0.000 0.270 250 L C 0.187 177.252 176.870 0.325 0.000 1.205 250 L CA -0.172 54.857 54.840 0.314 0.000 0.828 250 L CB 0.433 42.716 42.059 0.373 0.000 1.101 250 L HN 0.164 nan 8.230 nan 0.000 0.479 251 V N 0.899 120.990 119.914 0.296 0.000 2.709 251 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 251 V C -0.238 175.907 176.094 0.086 0.000 1.062 251 V CA -0.422 62.030 62.300 0.253 0.000 0.901 251 V CB 2.025 33.980 31.823 0.220 0.000 1.003 251 V HN 0.962 nan 8.190 nan 0.000 0.425 252 S N 1.628 117.350 115.700 0.037 0.000 2.667 252 S HA 0.543 5.013 4.470 -0.000 0.000 0.292 252 S C 0.710 175.357 174.600 0.079 0.000 1.126 252 S CA 0.083 58.191 58.200 -0.153 0.000 0.881 252 S CB 1.921 64.765 63.200 -0.593 0.000 1.132 252 S HN 0.930 nan 8.310 nan 0.000 0.492 253 S N -0.096 115.684 115.700 0.133 0.000 2.456 253 S HA 0.391 4.861 4.470 -0.000 0.000 0.224 253 S C 1.667 176.446 174.600 0.298 0.000 1.035 253 S CA 0.637 58.971 58.200 0.223 0.000 0.940 253 S CB -0.862 62.519 63.200 0.301 0.000 0.799 253 S HN 2.474 nan 8.310 nan 0.000 0.508 254 G N 1.190 110.163 108.800 0.289 0.000 2.143 254 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.249 254 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.249 254 G C 0.137 175.166 174.900 0.214 0.000 0.981 254 G CA 0.412 45.695 45.100 0.305 0.000 0.665 254 G HN 0.976 nan 8.290 nan 0.000 0.528 255 S N -0.443 115.410 115.700 0.254 0.000 2.568 255 S HA 0.291 4.761 4.470 -0.000 0.000 0.282 255 S C 1.524 176.046 174.600 -0.130 0.000 1.338 255 S CA 0.885 59.209 58.200 0.207 0.000 1.045 255 S CB 0.595 64.113 63.200 0.530 0.000 0.873 255 S HN 0.434 nan 8.310 nan 0.000 0.516 256 E N 2.284 122.384 120.200 -0.166 0.000 2.427 256 E HA 0.237 4.587 4.350 -0.000 0.000 0.196 256 E C 1.194 177.841 176.600 0.079 0.000 1.028 256 E CA 0.390 56.699 56.400 -0.151 0.000 0.864 256 E CB -0.145 29.644 29.700 0.149 0.000 0.813 256 E HN 0.902 nan 8.360 nan 0.000 0.514 257 G N 1.286 110.097 108.800 0.018 0.000 2.445 257 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.212 257 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.212 257 G C 0.476 175.288 174.900 -0.147 0.000 1.217 257 G CA -0.034 44.834 45.100 -0.387 0.000 1.002 257 G HN 0.209 nan 8.290 nan 0.000 0.574 258 E N -0.634 119.532 120.200 -0.056 0.000 2.097 258 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 258 E C 2.649 179.272 176.600 0.038 0.000 1.000 258 E CA 1.921 58.309 56.400 -0.020 0.000 0.804 258 E CB -0.181 29.468 29.700 -0.084 0.000 0.740 258 E HN 0.406 nan 8.360 nan 0.000 0.454 259 M N -0.502 119.147 119.600 0.082 0.000 2.296 259 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 259 M C 2.005 178.253 176.300 -0.087 0.000 1.064 259 M CA 1.231 56.427 55.300 -0.173 0.000 1.109 259 M CB -0.482 31.712 32.600 -0.676 0.000 1.396 259 M HN 0.206 nan 8.290 nan 0.000 0.430 260 G N -1.226 107.582 108.800 0.015 0.000 3.233 260 G HA2 0.107 4.067 3.960 -0.000 0.000 0.227 260 G HA3 0.107 4.067 3.960 -0.000 0.000 0.227 260 G C 0.632 175.493 174.900 -0.065 0.000 1.175 260 G CA -0.031 45.064 45.100 -0.008 0.000 0.781 260 G HN 0.434 nan 8.290 nan 0.000 0.542 261 S N 0.123 115.799 115.700 -0.039 0.000 2.809 261 S HA 0.241 4.711 4.470 -0.000 0.000 0.248 261 S C 0.732 175.280 174.600 -0.087 0.000 1.071 261 S CA -0.356 57.810 58.200 -0.057 0.000 1.059 261 S CB 1.101 64.387 63.200 0.143 0.000 0.923 261 S HN 0.316 nan 8.310 nan 0.000 0.516 262 V N 2.501 122.346 119.914 -0.114 0.000 5.175 262 V HA -0.309 3.811 4.120 -0.000 0.000 0.279 262 V C 0.307 176.375 176.094 -0.044 0.000 0.571 262 V CA 0.714 62.968 62.300 -0.076 0.000 0.694 262 V CB -2.223 29.554 31.823 -0.077 0.000 0.525 262 V HN 0.868 nan 8.190 nan 0.000 1.093 263 N N -0.874 117.801 118.700 -0.041 0.000 2.725 263 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 263 N C -0.114 175.390 175.510 -0.011 0.000 1.103 263 N CA 1.577 54.613 53.050 -0.024 0.000 0.707 263 N CB -0.584 37.890 38.487 -0.021 0.000 1.043 263 N HN 0.983 nan 8.380 nan 0.000 0.553 264 D N 0.258 120.657 120.400 -0.001 0.000 2.446 264 D HA 0.276 4.916 4.640 -0.000 0.000 0.251 264 D C 1.042 177.367 176.300 0.042 0.000 1.137 264 D CA -0.576 53.431 54.000 0.012 0.000 0.890 264 D CB 0.711 41.517 40.800 0.011 0.000 1.071 264 D HN -0.075 nan 8.370 nan 0.000 0.528 265 M N 3.002 122.612 119.600 0.016 0.000 2.213 265 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 265 M C 1.638 178.004 176.300 0.110 0.000 1.062 265 M CA 1.664 56.982 55.300 0.030 0.000 1.105 265 M CB -0.138 32.422 32.600 -0.067 0.000 1.385 265 M HN 0.356 nan 8.290 nan 0.000 0.417 266 Q N -0.662 119.180 119.800 0.070 0.000 2.170 266 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 266 Q C 1.783 177.846 176.000 0.105 0.000 0.976 266 Q CA 1.668 57.516 55.803 0.075 0.000 0.858 266 Q CB -0.404 28.359 28.738 0.041 0.000 0.907 266 Q HN 0.454 nan 8.270 nan 0.000 0.433 267 V N 0.243 120.228 119.914 0.119 0.000 2.295 267 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 267 V C 1.920 178.166 176.094 0.253 0.000 1.049 267 V CA 1.888 64.278 62.300 0.150 0.000 1.024 267 V CB -0.785 31.106 31.823 0.113 0.000 0.648 267 V HN 0.408 nan 8.190 nan 0.000 0.447 268 F N 0.605 120.649 119.950 0.158 0.000 2.065 268 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 268 F C 2.124 178.105 175.800 0.301 0.000 1.112 268 F CA 1.809 59.970 58.000 0.267 0.000 1.212 268 F CB -0.333 38.750 39.000 0.139 0.000 0.975 268 F HN 0.050 nan 8.300 nan 0.000 0.476 269 I N 0.112 120.795 120.570 0.189 0.000 2.127 269 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 269 I C 2.096 178.236 176.117 0.038 0.000 1.075 269 I CA 1.784 63.122 61.300 0.064 0.000 1.334 269 I CB -0.631 37.420 38.000 0.085 0.000 1.040 269 I HN 0.088 nan 8.210 nan 0.000 0.405 270 D N 0.934 121.373 120.400 0.064 0.000 2.144 270 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 270 D C 2.228 178.577 176.300 0.083 0.000 0.984 270 D CA 1.519 55.558 54.000 0.066 0.000 0.834 270 D CB -0.240 40.587 40.800 0.045 0.000 0.955 270 D HN 0.356 nan 8.370 nan 0.000 0.465 271 A N 0.140 122.948 122.820 -0.019 0.000 1.972 271 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 271 A C 1.337 178.749 177.584 -0.288 0.000 1.169 271 A CA 1.379 53.288 52.037 -0.212 0.000 0.635 271 A CB -0.665 18.125 19.000 -0.349 0.000 0.810 271 A HN 0.319 nan 8.150 nan 0.000 0.446 272 H N -1.561 117.429 119.070 -0.132 0.000 2.549 272 H HA 0.494 5.050 4.556 -0.000 0.000 0.279 272 H C 1.754 176.998 175.328 -0.140 0.000 1.018 272 H CA 0.408 56.336 56.048 -0.201 0.000 1.175 272 H CB 0.294 29.790 29.762 -0.442 0.000 1.485 272 H HN 0.474 nan 8.280 nan 0.000 0.543 273 A N 0.348 123.159 122.820 -0.015 0.000 2.167 273 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 273 A C 1.446 178.946 177.584 -0.139 0.000 1.151 273 A CA 0.576 52.584 52.037 -0.048 0.000 0.735 273 A CB -0.291 18.703 19.000 -0.010 0.000 0.802 273 A HN 0.329 nan 8.150 nan 0.000 0.467 274 T N 0.516 114.903 114.554 -0.278 0.000 2.919 274 T HA 0.267 4.617 4.350 -0.000 0.000 0.302 274 T C -1.203 173.393 174.700 -0.174 0.000 1.031 274 T CA -1.225 60.661 62.100 -0.357 0.000 1.127 274 T CB 0.855 69.367 68.868 -0.592 0.000 0.952 274 T HN 0.132 nan 8.240 nan 0.000 0.540 275 P HA 0.009 nan 4.420 nan 0.000 0.225 275 P C 0.603 177.874 177.300 -0.048 0.000 1.148 275 P CA 0.730 63.789 63.100 -0.068 0.000 0.779 275 P CB 0.200 31.865 31.700 -0.058 0.000 0.780 276 D N -0.660 119.694 120.400 -0.077 0.000 2.363 276 D HA 0.018 4.658 4.640 -0.000 0.000 0.220 276 D C 0.725 177.017 176.300 -0.013 0.000 0.994 276 D CA 0.527 54.502 54.000 -0.041 0.000 0.890 276 D CB 0.225 40.987 40.800 -0.063 0.000 0.906 276 D HN 0.186 nan 8.370 nan 0.000 0.530 277 I N 1.946 122.499 120.570 -0.029 0.000 2.297 277 I HA 0.033 4.203 4.170 -0.000 0.000 0.291 277 I C 1.015 177.160 176.117 0.046 0.000 1.033 277 I CA -0.143 61.159 61.300 0.004 0.000 1.253 277 I CB 1.469 39.465 38.000 -0.007 0.000 1.396 277 I HN -0.216 nan 8.210 nan 0.000 0.476 278 D N 5.927 126.391 120.400 0.107 0.000 2.213 278 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 278 D C 0.045 176.520 176.300 0.292 0.000 0.961 278 D CA 1.352 55.474 54.000 0.204 0.000 0.853 278 D CB 0.535 41.523 40.800 0.314 0.000 0.967 278 D HN 0.608 nan 8.370 nan 0.000 0.496 279 Y N -1.335 119.071 120.300 0.175 0.000 2.655 279 Y HA 0.571 5.121 4.550 -0.000 0.000 0.336 279 Y C -1.555 174.454 175.900 0.181 0.000 1.154 279 Y CA -1.380 56.821 58.100 0.167 0.000 1.055 279 Y CB 0.780 39.410 38.460 0.283 0.000 1.295 279 Y HN -0.366 nan 8.280 nan 0.000 0.465 280 L N 2.183 123.566 121.223 0.266 0.000 2.331 280 L HA 0.769 5.108 4.340 -0.000 0.000 0.275 280 L C -0.328 176.757 176.870 0.358 0.000 1.022 280 L CA -0.896 54.048 54.840 0.173 0.000 0.812 280 L CB 2.305 44.472 42.059 0.179 0.000 1.257 280 L HN 0.940 nan 8.230 nan 0.000 0.435 281 T N -1.200 113.551 114.554 0.329 0.000 2.887 281 T HA 0.690 5.040 4.350 -0.000 0.000 0.288 281 T C -0.874 174.107 174.700 0.469 0.000 1.021 281 T CA -0.702 61.663 62.100 0.441 0.000 1.000 281 T CB 1.689 70.792 68.868 0.392 0.000 1.034 281 T HN 0.576 nan 8.240 nan 0.000 0.467 282 Y N -0.852 119.577 120.300 0.215 0.000 2.562 282 Y HA 0.744 5.294 4.550 -0.000 0.000 0.345 282 Y C -1.003 175.103 175.900 0.343 0.000 1.045 282 Y CA -1.430 56.715 58.100 0.076 0.000 1.028 282 Y CB 1.531 39.807 38.460 -0.306 0.000 1.297 282 Y HN 0.829 nan 8.280 nan 0.000 0.463 283 H N 3.335 122.472 119.070 0.112 0.000 2.622 283 H HA 0.613 5.169 4.556 -0.000 0.000 0.363 283 H C -1.040 174.217 175.328 -0.118 0.000 1.151 283 H CA -1.450 54.580 56.048 -0.031 0.000 1.184 283 H CB 2.441 32.329 29.762 0.211 0.000 1.643 283 H HN 0.498 nan 8.280 nan 0.000 0.531 284 M N 2.530 121.835 119.600 -0.492 0.000 2.204 284 M HA 0.134 4.614 4.480 -0.000 0.000 0.293 284 M C -1.677 173.758 176.300 -1.441 0.000 0.994 284 M CA -0.288 54.561 55.300 -0.753 0.000 0.925 284 M CB 2.077 34.450 32.600 -0.379 0.000 1.577 284 M HN 0.636 nan 8.290 nan 0.000 0.439 285 W N 5.059 125.337 121.300 -1.704 0.000 2.291 285 W HA 0.309 4.969 4.660 -0.000 0.000 0.288 285 W C 1.130 176.702 176.519 -1.579 0.000 0.976 285 W CA -0.642 55.796 57.345 -1.513 0.000 1.744 285 W CB 0.545 29.182 29.460 -1.372 0.000 1.815 285 W HN 0.670 nan 8.180 nan 0.000 0.396 286 I N -1.106 119.034 120.570 -0.718 0.000 2.394 286 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 286 I C 2.487 178.526 176.117 -0.130 0.000 1.136 286 I CA 1.116 62.183 61.300 -0.389 0.000 1.425 286 I CB -0.117 37.855 38.000 -0.047 0.000 1.079 286 I HN 0.245 nan 8.210 nan 0.000 0.425 287 R N 1.944 122.424 120.500 -0.033 0.000 2.062 287 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 287 R C 1.867 178.169 176.300 0.003 0.000 1.125 287 R CA 1.784 57.975 56.100 0.152 0.000 0.966 287 R CB -0.605 29.873 30.300 0.297 0.000 0.861 287 R HN 0.429 nan 8.270 nan 0.000 0.433 288 N N -0.050 118.574 118.700 -0.127 0.000 2.205 288 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 288 N C 1.039 176.523 175.510 -0.043 0.000 1.015 288 N CA 1.250 54.193 53.050 -0.178 0.000 0.862 288 N CB -0.350 37.931 38.487 -0.343 0.000 0.986 288 N HN 0.310 nan 8.380 nan 0.000 0.429 289 W N 0.518 121.644 121.300 -0.290 0.000 3.256 289 W HA 0.337 4.997 4.660 -0.000 0.000 0.269 289 W C 0.524 176.888 176.519 -0.258 0.000 1.310 289 W CA -0.370 56.714 57.345 -0.435 0.000 1.673 289 W CB -1.074 27.793 29.460 -0.988 0.000 1.115 289 W HN -0.103 nan 8.180 nan 0.000 0.686 290 S N -1.789 113.966 115.700 0.091 0.000 3.361 290 S HA -0.199 4.271 4.470 -0.000 0.000 0.288 290 S C 0.799 175.609 174.600 0.350 0.000 1.269 290 S CA 1.062 59.367 58.200 0.173 0.000 0.976 290 S CB -1.820 61.467 63.200 0.146 0.000 1.162 290 S HN 0.367 nan 8.310 nan 0.000 0.643 291 W N 0.078 121.486 121.300 0.181 0.000 2.476 291 W HA 0.469 5.129 4.660 -0.000 0.000 0.281 291 W C 0.816 177.449 176.519 0.190 0.000 1.230 291 W CA -0.050 57.394 57.345 0.165 0.000 1.287 291 W CB -0.308 29.259 29.460 0.179 0.000 1.108 291 W HN 0.473 nan 8.180 nan 0.000 0.567 292 F N 1.680 121.784 119.950 0.256 0.000 2.482 292 F HA 0.310 4.837 4.527 -0.000 0.000 0.331 292 F C -0.582 175.260 175.800 0.070 0.000 1.115 292 F CA -1.224 56.865 58.000 0.147 0.000 0.955 292 F CB 1.059 40.136 39.000 0.128 0.000 1.136 292 F HN -0.391 nan 8.300 nan 0.000 0.452 293 D N 5.467 125.579 120.400 -0.481 0.000 2.349 293 D HA 0.156 4.795 4.640 -0.000 0.000 0.232 293 D C 0.609 176.479 176.300 -0.718 0.000 1.071 293 D CA -0.401 53.357 54.000 -0.403 0.000 0.832 293 D CB 1.483 42.126 40.800 -0.262 0.000 1.086 293 D HN 0.777 nan 8.370 nan 0.000 0.504 294 K N 1.163 121.333 120.400 -0.384 0.000 2.362 294 K HA -0.107 4.213 4.320 -0.000 0.000 0.200 294 K C 1.152 177.585 176.600 -0.279 0.000 1.046 294 K CA 1.258 57.385 56.287 -0.267 0.000 0.952 294 K CB -0.189 32.303 32.500 -0.013 0.000 0.753 294 K HN 0.331 nan 8.250 nan 0.000 0.466 295 T N -1.796 112.607 114.554 -0.251 0.000 3.086 295 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 295 T C 0.637 175.211 174.700 -0.210 0.000 1.074 295 T CA -0.371 61.612 62.100 -0.196 0.000 0.988 295 T CB 0.097 68.885 68.868 -0.134 0.000 0.988 295 T HN 0.154 nan 8.240 nan 0.000 0.530 296 K N 1.759 121.984 120.400 -0.292 0.000 3.206 296 K HA 0.264 4.584 4.320 -0.000 0.000 0.180 296 K C -2.252 174.120 176.600 -0.381 0.000 1.088 296 K CA -1.686 54.448 56.287 -0.254 0.000 0.872 296 K CB 1.736 34.133 32.500 -0.171 0.000 0.976 296 K HN 0.106 nan 8.250 nan 0.000 0.564 297 P HA -0.176 nan 4.420 nan 0.000 0.216 297 P C 1.247 178.391 177.300 -0.261 0.000 1.153 297 P CA 1.114 63.762 63.100 -0.753 0.000 0.844 297 P CB 0.374 31.387 31.700 -1.146 0.000 0.787 298 A N 0.460 123.241 122.820 -0.064 0.000 1.933 298 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 298 A C 2.133 179.814 177.584 0.161 0.000 1.175 298 A CA 1.771 53.923 52.037 0.192 0.000 0.628 298 A CB -1.198 17.901 19.000 0.166 0.000 0.814 298 A HN 0.134 nan 8.150 nan 0.000 0.444 299 E N -0.595 119.634 120.200 0.050 0.000 2.152 299 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 299 E C 2.094 178.732 176.600 0.062 0.000 0.983 299 E CA 1.716 58.143 56.400 0.044 0.000 0.818 299 E CB -0.220 29.476 29.700 -0.007 0.000 0.758 299 E HN 0.808 nan 8.360 nan 0.000 0.467 300 T N -2.661 111.918 114.554 0.043 0.000 3.014 300 T HA -0.038 4.312 4.350 -0.000 0.000 0.250 300 T C 1.528 176.383 174.700 0.258 0.000 1.060 300 T CA -0.302 61.843 62.100 0.076 0.000 1.040 300 T CB -0.393 68.449 68.868 -0.043 0.000 0.971 300 T HN 0.389 nan 8.240 nan 0.000 0.497 301 W N 3.201 124.628 121.300 0.212 0.000 2.318 301 W HA -0.092 4.568 4.660 -0.000 0.000 0.313 301 W C -1.752 174.952 176.519 0.308 0.000 1.221 301 W CA 1.377 58.954 57.345 0.387 0.000 1.266 301 W CB -1.321 28.410 29.460 0.451 0.000 1.150 301 W HN 0.271 nan 8.180 nan 0.000 0.496 302 P HA -0.221 nan 4.420 nan 0.000 0.215 302 P C 2.197 179.421 177.300 -0.127 0.000 1.157 302 P CA 2.991 66.008 63.100 -0.138 0.000 0.874 302 P CB -0.453 31.271 31.700 0.039 0.000 0.790 303 S N -0.974 114.696 115.700 -0.050 0.000 2.368 303 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 303 S C 1.996 176.530 174.600 -0.109 0.000 1.030 303 S CA 1.372 59.528 58.200 -0.074 0.000 0.999 303 S CB -1.110 62.072 63.200 -0.031 0.000 0.844 303 S HN 0.066 nan 8.310 nan 0.000 0.459 304 A N 1.321 124.143 122.820 0.003 0.000 1.908 304 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 304 A C 2.085 179.659 177.584 -0.018 0.000 1.181 304 A CA 1.420 53.526 52.037 0.115 0.000 0.627 304 A CB -1.301 17.922 19.000 0.372 0.000 0.818 304 A HN 0.901 nan 8.150 nan 0.000 0.445 305 W N 0.676 121.669 121.300 -0.511 0.000 2.388 305 W HA -0.147 4.513 4.660 -0.000 0.000 0.294 305 W C 1.903 178.264 176.519 -0.263 0.000 1.212 305 W CA 1.672 58.684 57.345 -0.555 0.000 1.271 305 W CB -0.086 28.720 29.460 -1.091 0.000 1.126 305 W HN 0.619 nan 8.180 nan 0.000 0.535 306 E N 0.865 120.844 120.200 -0.368 0.000 2.051 306 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 306 E C 2.097 178.455 176.600 -0.403 0.000 0.991 306 E CA 1.665 57.839 56.400 -0.376 0.000 0.799 306 E CB -0.185 29.377 29.700 -0.230 0.000 0.748 306 E HN 0.227 nan 8.360 nan 0.000 0.449 307 K N -0.014 120.125 120.400 -0.435 0.000 2.097 307 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 307 K C 2.151 178.551 176.600 -0.333 0.000 1.050 307 K CA 0.955 56.865 56.287 -0.627 0.000 0.938 307 K CB -0.090 31.582 32.500 -1.380 0.000 0.718 307 K HN 0.120 nan 8.250 nan 0.000 0.442 308 A N 2.274 125.021 122.820 -0.121 0.000 1.898 308 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 308 A C 2.209 179.726 177.584 -0.111 0.000 1.181 308 A CA 1.537 53.654 52.037 0.133 0.000 0.620 308 A CB -0.539 18.584 19.000 0.206 0.000 0.819 308 A HN 0.479 nan 8.150 nan 0.000 0.442 309 Q N -0.757 118.734 119.800 -0.515 0.000 2.167 309 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 309 Q C 1.438 177.329 176.000 -0.182 0.000 0.970 309 Q CA 1.491 57.019 55.803 -0.458 0.000 0.855 309 Q CB -0.499 27.828 28.738 -0.686 0.000 0.911 309 Q HN 0.502 nan 8.270 nan 0.000 0.438 310 N N 0.401 119.008 118.700 -0.154 0.000 2.120 310 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 310 N C 1.452 176.999 175.510 0.060 0.000 1.024 310 N CA 1.282 54.290 53.050 -0.069 0.000 0.852 310 N CB -0.519 37.903 38.487 -0.109 0.000 1.003 310 N HN 0.371 nan 8.380 nan 0.000 0.424 311 Y N 1.273 121.620 120.300 0.079 0.000 2.181 311 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 311 Y C 2.353 178.425 175.900 0.286 0.000 1.146 311 Y CA 1.502 59.769 58.100 0.278 0.000 1.164 311 Y CB -0.128 38.632 38.460 0.500 0.000 0.982 311 Y HN -0.006 nan 8.280 nan 0.000 0.515 312 M N -0.653 119.130 119.600 0.305 0.000 2.086 312 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 312 M C 2.251 178.548 176.300 -0.006 0.000 1.067 312 M CA 1.763 57.177 55.300 0.190 0.000 1.116 312 M CB -0.362 32.335 32.600 0.161 0.000 1.348 312 M HN 0.128 nan 8.290 nan 0.000 0.407 313 R N 0.226 120.713 120.500 -0.023 0.000 2.081 313 R HA -0.094 4.245 4.340 -0.000 0.000 0.235 313 R C 2.357 178.585 176.300 -0.119 0.000 1.131 313 R CA 1.554 57.615 56.100 -0.065 0.000 0.960 313 R CB -0.624 29.638 30.300 -0.063 0.000 0.856 313 R HN 0.396 nan 8.270 nan 0.000 0.436 314 A N 0.908 123.632 122.820 -0.159 0.000 1.933 314 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 314 A C 1.801 179.116 177.584 -0.448 0.000 1.175 314 A CA 1.297 53.160 52.037 -0.291 0.000 0.628 314 A CB -0.627 18.162 19.000 -0.352 0.000 0.814 314 A HN 0.364 nan 8.150 nan 0.000 0.444 315 H N -0.884 117.926 119.070 -0.433 0.000 2.403 315 H HA 0.061 4.617 4.556 -0.000 0.000 0.298 315 H C 2.116 177.239 175.328 -0.341 0.000 1.059 315 H CA 1.357 57.094 56.048 -0.519 0.000 1.363 315 H CB -0.104 29.061 29.762 -0.996 0.000 1.410 315 H HN 0.470 nan 8.280 nan 0.000 0.528 316 I N 1.164 121.621 120.570 -0.189 0.000 2.208 316 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 316 I C 2.003 178.076 176.117 -0.073 0.000 1.097 316 I CA 1.186 62.429 61.300 -0.096 0.000 1.363 316 I CB -0.134 37.834 38.000 -0.052 0.000 1.051 316 I HN 0.083 nan 8.210 nan 0.000 0.413 317 D N 0.435 120.777 120.400 -0.098 0.000 2.117 317 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 317 D C 2.388 178.651 176.300 -0.061 0.000 0.987 317 D CA 1.122 55.076 54.000 -0.076 0.000 0.829 317 D CB -0.322 40.424 40.800 -0.091 0.000 0.961 317 D HN 0.128 nan 8.370 nan 0.000 0.460 318 V N 1.308 121.174 119.914 -0.081 0.000 2.407 318 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 318 V C 2.480 178.586 176.094 0.020 0.000 1.055 318 V CA 1.748 64.037 62.300 -0.018 0.000 1.049 318 V CB -0.713 31.121 31.823 0.018 0.000 0.662 318 V HN 0.188 nan 8.190 nan 0.000 0.455 319 A N -0.431 122.399 122.820 0.016 0.000 1.933 319 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 319 A C 2.285 179.876 177.584 0.012 0.000 1.175 319 A CA 1.822 53.877 52.037 0.029 0.000 0.628 319 A CB -0.384 18.635 19.000 0.031 0.000 0.814 319 A HN 0.549 nan 8.150 nan 0.000 0.444 320 K N -0.739 119.660 120.400 -0.001 0.000 2.057 320 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 320 K C 2.384 178.983 176.600 -0.002 0.000 1.049 320 K CA 1.535 57.821 56.287 -0.002 0.000 0.931 320 K CB -0.173 32.322 32.500 -0.008 0.000 0.714 320 K HN 0.674 nan 8.250 nan 0.000 0.440 321 Q N 0.892 120.690 119.800 -0.004 0.000 2.084 321 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 321 Q C 1.804 177.805 176.000 0.001 0.000 0.978 321 Q CA 1.258 57.059 55.803 -0.002 0.000 0.844 321 Q CB 0.106 28.842 28.738 -0.003 0.000 0.898 321 Q HN 0.308 nan 8.270 nan 0.000 0.426 322 L N 0.382 121.609 121.223 0.006 0.000 2.558 322 L HA 0.050 4.390 4.340 -0.000 0.000 0.225 322 L C 0.377 177.248 176.870 0.002 0.000 1.128 322 L CA 0.023 54.865 54.840 0.004 0.000 0.868 322 L CB -0.066 41.997 42.059 0.006 0.000 1.006 322 L HN 0.371 nan 8.230 nan 0.000 0.454 323 N N 1.652 120.354 118.700 0.003 0.000 2.727 323 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 323 N C -0.707 174.800 175.510 -0.006 0.000 1.040 323 N CA 0.828 53.877 53.050 -0.001 0.000 0.712 323 N CB -0.723 37.761 38.487 -0.004 0.000 0.912 323 N HN 0.365 nan 8.380 nan 0.000 0.545 324 K N -0.111 120.290 120.400 0.002 0.000 2.477 324 K HA 0.552 4.872 4.320 -0.000 0.000 0.255 324 K C -2.677 173.916 176.600 -0.011 0.000 0.952 324 K CA -2.069 54.220 56.287 0.004 0.000 0.826 324 K CB 1.928 34.456 32.500 0.046 0.000 1.331 324 K HN -0.038 nan 8.250 nan 0.000 0.437 325 P HA 0.065 nan 4.420 nan 0.000 0.269 325 P C -1.224 176.114 177.300 0.063 0.000 1.215 325 P CA -0.479 62.526 63.100 -0.158 0.000 0.780 325 P CB 0.463 31.748 31.700 -0.692 0.000 0.898 326 L N 3.433 124.723 121.223 0.113 0.000 2.349 326 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 326 L C -1.288 175.788 176.870 0.342 0.000 0.996 326 L CA -0.530 54.460 54.840 0.250 0.000 0.825 326 L CB 1.778 43.934 42.059 0.162 0.000 1.243 326 L HN 0.036 nan 8.230 nan 0.000 0.412 327 V N 5.811 126.004 119.914 0.464 0.000 2.417 327 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 327 V C -0.136 176.186 176.094 0.380 0.000 1.024 327 V CA -0.655 61.889 62.300 0.405 0.000 0.861 327 V CB 1.669 33.748 31.823 0.426 0.000 0.985 327 V HN 0.644 nan 8.190 nan 0.000 0.436 328 L N 5.583 126.915 121.223 0.182 0.000 2.384 328 L HA 0.255 4.595 4.340 -0.000 0.000 0.258 328 L C 1.480 178.357 176.870 0.012 0.000 1.266 328 L CA 0.531 55.246 54.840 -0.208 0.000 1.162 328 L CB -0.229 41.522 42.059 -0.513 0.000 1.375 328 L HN 0.846 nan 8.230 nan 0.000 0.420 329 E N 1.246 121.530 120.200 0.139 0.000 2.481 329 E HA 0.053 4.402 4.350 -0.000 0.000 0.195 329 E C -0.522 176.113 176.600 0.057 0.000 1.047 329 E CA 0.246 56.748 56.400 0.171 0.000 0.867 329 E CB 0.210 30.082 29.700 0.287 0.000 0.858 329 E HN 0.658 nan 8.360 nan 0.000 0.513 330 E N 0.476 120.621 120.200 -0.093 0.000 2.304 330 E HA 0.444 4.794 4.350 -0.000 0.000 0.277 330 E C -1.344 175.125 176.600 -0.218 0.000 0.898 330 E CA -0.791 55.557 56.400 -0.087 0.000 0.764 330 E CB 1.799 31.360 29.700 -0.232 0.000 1.216 330 E HN 0.236 nan 8.360 nan 0.000 0.419 331 F N -0.551 119.045 119.950 -0.591 0.000 2.688 331 F HA 0.834 5.361 4.527 -0.000 0.000 0.308 331 F C -0.575 174.771 175.800 -0.757 0.000 1.117 331 F CA -0.687 56.712 58.000 -1.001 0.000 0.976 331 F CB 1.704 40.269 39.000 -0.727 0.000 1.291 331 F HN 0.564 nan 8.300 nan 0.000 0.439 332 G N 1.596 109.824 108.800 -0.953 0.000 2.559 332 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 332 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 332 G C -2.952 171.938 174.900 -0.016 0.000 1.424 332 G CA -0.930 44.000 45.100 -0.285 0.000 0.786 332 G HN 1.026 nan 8.290 nan 0.000 0.485 333 L N -0.299 121.069 121.223 0.241 0.000 2.518 333 L HA 0.596 4.936 4.340 -0.000 0.000 0.257 333 L C -1.003 176.105 176.870 0.396 0.000 0.980 333 L CA -0.627 54.350 54.840 0.228 0.000 0.837 333 L CB 2.156 44.141 42.059 -0.123 0.000 1.410 333 L HN 0.684 nan 8.230 nan 0.000 0.410 334 D N 1.839 122.426 120.400 0.312 0.000 2.368 334 D HA 0.315 4.955 4.640 -0.000 0.000 0.240 334 D C -0.045 176.292 176.300 0.062 0.000 1.169 334 D CA 0.010 54.084 54.000 0.124 0.000 0.906 334 D CB 0.492 41.333 40.800 0.068 0.000 1.187 334 D HN 0.350 nan 8.370 nan 0.000 0.435 335 R N 0.806 121.317 120.500 0.019 0.000 2.822 335 R HA 0.109 4.449 4.340 -0.000 0.000 0.277 335 R C -0.359 175.943 176.300 0.003 0.000 1.102 335 R CA -0.447 55.655 56.100 0.003 0.000 1.207 335 R CB 0.208 30.502 30.300 -0.009 0.000 1.139 335 R HN 0.447 nan 8.270 nan 0.000 0.557 336 D N 1.847 122.257 120.400 0.018 0.000 2.458 336 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 336 D C 0.893 177.177 176.300 -0.027 0.000 1.146 336 D CA 0.682 54.712 54.000 0.050 0.000 0.877 336 D CB 0.468 41.315 40.800 0.078 0.000 1.176 336 D HN 0.387 nan 8.370 nan 0.000 0.461 337 M N 1.350 120.919 119.600 -0.051 0.000 2.818 337 M HA -0.218 4.262 4.480 -0.000 0.000 0.194 337 M C 1.048 177.257 176.300 -0.152 0.000 0.586 337 M CA 1.200 56.437 55.300 -0.105 0.000 0.664 337 M CB -2.407 30.141 32.600 -0.086 0.000 2.418 337 M HN 0.834 nan 8.290 nan 0.000 0.517 338 G N -0.016 108.693 108.800 -0.151 0.000 2.153 338 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 338 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 338 G C 0.224 174.831 174.900 -0.489 0.000 0.994 338 G CA 0.954 45.902 45.100 -0.254 0.000 0.698 338 G HN 0.949 nan 8.290 nan 0.000 0.521 339 S N -1.019 114.466 115.700 -0.359 0.000 2.572 339 S HA 0.485 4.955 4.470 -0.000 0.000 0.279 339 S C 1.219 175.536 174.600 -0.472 0.000 1.341 339 S CA 0.001 57.948 58.200 -0.421 0.000 1.043 339 S CB 0.357 63.438 63.200 -0.198 0.000 0.887 339 S HN 0.340 nan 8.310 nan 0.000 0.516 340 Y N 1.922 122.006 120.300 -0.360 0.000 2.449 340 Y HA 0.420 4.970 4.550 -0.000 0.000 0.254 340 Y C 1.262 176.911 175.900 -0.418 0.000 1.140 340 Y CA -0.222 57.554 58.100 -0.540 0.000 1.272 340 Y CB -0.796 36.988 38.460 -1.128 0.000 1.114 340 Y HN 0.688 nan 8.280 nan 0.000 0.525 341 A N 1.140 123.880 122.820 -0.134 0.000 2.440 341 A HA 0.171 4.491 4.320 -0.000 0.000 0.251 341 A C 1.605 179.167 177.584 -0.037 0.000 1.089 341 A CA -0.341 51.714 52.037 0.030 0.000 0.779 341 A CB 0.212 19.249 19.000 0.062 0.000 1.022 341 A HN 0.529 nan 8.150 nan 0.000 0.492 342 M N 1.695 121.200 119.600 -0.158 0.000 2.374 342 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 342 M C 0.980 177.157 176.300 -0.205 0.000 1.067 342 M CA 2.204 57.259 55.300 -0.409 0.000 1.103 342 M CB -0.191 31.892 32.600 -0.862 0.000 1.402 342 M HN 0.842 nan 8.290 nan 0.000 0.444 343 D N -0.150 120.181 120.400 -0.114 0.000 2.340 343 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 343 D C 0.394 176.669 176.300 -0.042 0.000 1.039 343 D CA 0.264 54.222 54.000 -0.070 0.000 0.866 343 D CB -0.476 40.293 40.800 -0.053 0.000 0.913 343 D HN 0.376 nan 8.370 nan 0.000 0.523 344 S N -0.036 115.642 115.700 -0.036 0.000 2.592 344 S HA 0.388 4.858 4.470 -0.000 0.000 0.271 344 S C 0.652 175.242 174.600 -0.017 0.000 1.326 344 S CA -0.546 57.638 58.200 -0.027 0.000 1.024 344 S CB 0.909 64.086 63.200 -0.038 0.000 0.921 344 S HN 0.317 nan 8.310 nan 0.000 0.527 345 T N -1.258 113.286 114.554 -0.016 0.000 2.828 345 T HA 0.480 4.830 4.350 -0.000 0.000 0.290 345 T C 0.695 175.387 174.700 -0.014 0.000 1.019 345 T CA -0.110 61.980 62.100 -0.016 0.000 1.031 345 T CB 0.700 69.556 68.868 -0.021 0.000 1.001 345 T HN 1.037 nan 8.240 nan 0.000 0.531 346 T N -2.361 112.173 114.554 -0.033 0.000 3.487 346 T HA 0.343 4.692 4.350 -0.000 0.000 0.287 346 T C 0.732 175.364 174.700 -0.114 0.000 1.004 346 T CA -0.705 61.359 62.100 -0.059 0.000 0.977 346 T CB -0.127 68.701 68.868 -0.066 0.000 1.180 346 T HN 0.693 nan 8.240 nan 0.000 0.490 347 E N 0.469 120.600 120.200 -0.114 0.000 2.051 347 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 347 E C 0.894 177.274 176.600 -0.366 0.000 0.991 347 E CA 1.427 57.687 56.400 -0.234 0.000 0.799 347 E CB -0.266 29.271 29.700 -0.272 0.000 0.748 347 E HN 0.620 nan 8.360 nan 0.000 0.449 348 Y N 0.841 120.987 120.300 -0.256 0.000 2.181 348 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 348 Y C 2.613 178.237 175.900 -0.460 0.000 1.146 348 Y CA 1.491 59.353 58.100 -0.396 0.000 1.164 348 Y CB -0.199 38.114 38.460 -0.245 0.000 0.982 348 Y HN -0.055 nan 8.280 nan 0.000 0.515 349 R N 0.528 120.881 120.500 -0.246 0.000 2.083 349 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 349 R C 1.523 177.435 176.300 -0.647 0.000 1.137 349 R CA 2.181 58.009 56.100 -0.454 0.000 0.951 349 R CB -0.327 29.701 30.300 -0.454 0.000 0.851 349 R HN 0.253 nan 8.270 nan 0.000 0.434 350 D N 0.311 120.446 120.400 -0.442 0.000 2.117 350 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 350 D C 1.572 177.750 176.300 -0.204 0.000 0.987 350 D CA 1.068 54.891 54.000 -0.296 0.000 0.829 350 D CB -0.439 40.261 40.800 -0.167 0.000 0.961 350 D HN 0.262 nan 8.370 nan 0.000 0.460 351 N N -0.198 118.330 118.700 -0.288 0.000 2.244 351 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 351 N C 1.698 177.066 175.510 -0.237 0.000 1.016 351 N CA 0.428 53.303 53.050 -0.292 0.000 0.866 351 N CB -0.430 37.780 38.487 -0.462 0.000 0.980 351 N HN 0.275 nan 8.380 nan 0.000 0.430 352 Y N 0.988 121.047 120.300 -0.401 0.000 2.145 352 Y HA -0.144 4.406 4.550 -0.000 0.000 0.286 352 Y C 1.888 177.826 175.900 0.063 0.000 1.145 352 Y CA 1.266 59.292 58.100 -0.123 0.000 1.148 352 Y CB -0.594 37.817 38.460 -0.081 0.000 0.981 352 Y HN -0.127 nan 8.280 nan 0.000 0.507 353 F N 0.606 120.376 119.950 -0.301 0.000 2.134 353 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 353 F C 2.497 177.961 175.800 -0.560 0.000 1.097 353 F CA 1.491 59.153 58.000 -0.563 0.000 1.264 353 F CB -1.229 37.543 39.000 -0.381 0.000 1.001 353 F HN 0.061 nan 8.300 nan 0.000 0.479 354 R N -0.187 120.294 120.500 -0.032 0.000 2.091 354 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 354 R C 2.576 178.807 176.300 -0.116 0.000 1.136 354 R CA 1.317 57.413 56.100 -0.006 0.000 0.959 354 R CB -1.162 29.193 30.300 0.092 0.000 0.856 354 R HN 0.370 nan 8.270 nan 0.000 0.437 355 G N 0.340 109.036 108.800 -0.174 0.000 2.421 355 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 355 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 355 G C 1.474 176.435 174.900 0.103 0.000 1.171 355 G CA 0.737 45.733 45.100 -0.174 0.000 0.775 355 G HN 0.131 nan 8.290 nan 0.000 0.543 356 V N 0.525 120.395 119.914 -0.075 0.000 2.295 356 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 356 V C 2.567 178.521 176.094 -0.233 0.000 1.049 356 V CA 1.559 63.732 62.300 -0.212 0.000 1.024 356 V CB -0.625 30.744 31.823 -0.757 0.000 0.648 356 V HN 0.268 nan 8.190 nan 0.000 0.447 357 F N 0.688 120.400 119.950 -0.396 0.000 2.134 357 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 357 F C 2.443 178.081 175.800 -0.270 0.000 1.097 357 F CA 1.287 58.974 58.000 -0.522 0.000 1.264 357 F CB -0.963 37.230 39.000 -1.345 0.000 1.001 357 F HN 0.235 nan 8.300 nan 0.000 0.479 358 E N 0.210 120.381 120.200 -0.048 0.000 2.058 358 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 358 E C 2.373 179.061 176.600 0.147 0.000 0.997 358 E CA 1.303 57.780 56.400 0.128 0.000 0.801 358 E CB -0.427 29.368 29.700 0.158 0.000 0.746 358 E HN 0.343 nan 8.360 nan 0.000 0.450 359 L N 0.264 121.585 121.223 0.163 0.000 2.056 359 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 359 L C 2.666 179.621 176.870 0.141 0.000 1.078 359 L CA 0.959 55.892 54.840 0.154 0.000 0.749 359 L CB -0.249 41.913 42.059 0.170 0.000 0.901 359 L HN 0.266 nan 8.230 nan 0.000 0.433 360 M N -0.667 119.047 119.600 0.190 0.000 2.175 360 M HA -0.204 4.276 4.480 -0.000 0.000 0.264 360 M C 2.177 178.633 176.300 0.261 0.000 1.063 360 M CA 1.482 56.951 55.300 0.282 0.000 1.119 360 M CB 0.099 32.938 32.600 0.398 0.000 1.377 360 M HN 0.212 nan 8.290 nan 0.000 0.415 361 L N 0.732 122.027 121.223 0.119 0.000 2.093 361 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 361 L C 2.456 179.266 176.870 -0.100 0.000 1.085 361 L CA 2.153 56.816 54.840 -0.295 0.000 0.755 361 L CB -1.120 40.716 42.059 -0.371 0.000 0.904 361 L HN 0.308 nan 8.230 nan 0.000 0.435 362 A N -1.672 121.152 122.820 0.007 0.000 1.902 362 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 362 A C 2.528 180.125 177.584 0.021 0.000 1.181 362 A CA 1.886 53.935 52.037 0.019 0.000 0.623 362 A CB -1.113 17.916 19.000 0.050 0.000 0.818 362 A HN 0.517 nan 8.150 nan 0.000 0.443 363 S N -0.711 115.019 115.700 0.049 0.000 2.359 363 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 363 S C 1.950 176.577 174.600 0.044 0.000 1.035 363 S CA 1.713 59.946 58.200 0.055 0.000 1.018 363 S CB -0.459 62.794 63.200 0.089 0.000 0.876 363 S HN 0.489 nan 8.310 nan 0.000 0.448 364 L N 1.911 123.163 121.223 0.048 0.000 2.017 364 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 364 L C 2.237 179.099 176.870 -0.013 0.000 1.073 364 L CA 2.081 56.940 54.840 0.031 0.000 0.745 364 L CB -1.086 40.993 42.059 0.032 0.000 0.894 364 L HN 0.370 nan 8.230 nan 0.000 0.432 365 E N -0.808 119.369 120.200 -0.037 0.000 2.130 365 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 365 E C 1.922 178.510 176.600 -0.020 0.000 0.998 365 E CA 1.471 57.849 56.400 -0.037 0.000 0.806 365 E CB -0.131 29.545 29.700 -0.039 0.000 0.738 365 E HN 0.659 nan 8.360 nan 0.000 0.459 366 Q N -0.929 118.867 119.800 -0.007 0.000 2.403 366 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 366 Q C 0.803 176.803 176.000 -0.000 0.000 0.932 366 Q CA 0.372 56.175 55.803 -0.001 0.000 0.945 366 Q CB 0.881 29.623 28.738 0.006 0.000 1.045 366 Q HN 0.389 nan 8.270 nan 0.000 0.511 367 G N 1.087 109.886 108.800 -0.002 0.000 2.136 367 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 367 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 367 G C -0.249 174.660 174.900 0.015 0.000 0.989 367 G CA -0.078 45.021 45.100 -0.001 0.000 0.682 367 G HN 0.360 nan 8.290 nan 0.000 0.522 368 E N 0.470 120.684 120.200 0.022 0.000 2.345 368 E HA 0.331 4.681 4.350 -0.000 0.000 0.259 368 E C -1.707 174.919 176.600 0.044 0.000 1.117 368 E CA -1.588 54.830 56.400 0.029 0.000 0.913 368 E CB 1.015 30.733 29.700 0.029 0.000 1.057 368 E HN 0.075 nan 8.360 nan 0.000 0.432 369 P HA 0.028 nan 4.420 nan 0.000 0.269 369 P C -0.630 176.708 177.300 0.064 0.000 1.461 369 P CA 0.207 63.331 63.100 0.040 0.000 0.809 369 P CB -0.035 31.678 31.700 0.021 0.000 1.503 370 S N 0.866 116.625 115.700 0.098 0.000 2.465 370 S HA 0.344 4.814 4.470 -0.000 0.000 0.280 370 S C 1.249 175.956 174.600 0.178 0.000 1.232 370 S CA -0.074 58.224 58.200 0.162 0.000 1.066 370 S CB 0.429 63.747 63.200 0.196 0.000 0.929 370 S HN 0.226 nan 8.310 nan 0.000 0.494 371 A N 2.954 125.881 122.820 0.178 0.000 2.508 371 A HA 0.692 5.012 4.320 -0.000 0.000 0.257 371 A C 0.944 178.645 177.584 0.196 0.000 1.226 371 A CA 0.254 52.392 52.037 0.168 0.000 0.947 371 A CB -0.233 18.777 19.000 0.017 0.000 1.079 371 A HN 1.214 nan 8.150 nan 0.000 0.531 372 G N -0.880 108.020 108.800 0.166 0.000 2.280 372 G HA2 0.369 4.329 3.960 -0.000 0.000 0.277 372 G HA3 0.369 4.329 3.960 -0.000 0.000 0.277 372 G C -0.817 174.097 174.900 0.023 0.000 1.288 372 G CA -0.041 45.027 45.100 -0.053 0.000 1.075 372 G HN 1.582 nan 8.290 nan 0.000 0.480 373 Y N -1.412 118.841 120.300 -0.079 0.000 2.677 373 Y HA 0.780 5.330 4.550 -0.000 0.000 0.334 373 Y C -0.959 174.947 175.900 0.009 0.000 1.196 373 Y CA -1.490 56.590 58.100 -0.033 0.000 1.059 373 Y CB 1.040 39.471 38.460 -0.049 0.000 1.315 373 Y HN 0.616 nan 8.280 nan 0.000 0.455 374 N N 2.078 120.945 118.700 0.278 0.000 2.461 374 N HA 0.425 5.165 4.740 -0.000 0.000 0.284 374 N C -1.314 174.309 175.510 0.188 0.000 1.049 374 N CA -0.507 52.658 53.050 0.191 0.000 0.889 374 N CB 2.634 41.188 38.487 0.112 0.000 1.365 374 N HN 0.630 nan 8.380 nan 0.000 0.499 375 I N 1.270 121.865 120.570 0.042 0.000 2.692 375 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 375 I C 0.208 176.262 176.117 -0.105 0.000 1.159 375 I CA 0.137 61.213 61.300 -0.374 0.000 1.423 375 I CB 0.896 38.617 38.000 -0.466 0.000 1.380 375 I HN 0.401 nan 8.210 nan 0.000 0.580 376 W N 8.070 129.206 121.300 -0.274 0.000 2.278 376 W HA 0.686 5.346 4.660 -0.000 0.000 0.317 376 W C -0.852 175.704 176.519 0.061 0.000 1.030 376 W CA -0.525 56.823 57.345 0.004 0.000 1.334 376 W CB 1.138 30.725 29.460 0.211 0.000 1.215 376 W HN 0.572 nan 8.180 nan 0.000 0.405 377 A N 6.006 128.804 122.820 -0.036 0.000 2.557 377 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 377 A C -2.301 175.242 177.584 -0.069 0.000 1.139 377 A CA -0.789 51.050 52.037 -0.331 0.000 0.665 377 A CB 1.418 19.801 19.000 -1.029 0.000 1.285 377 A HN 0.623 nan 8.150 nan 0.000 0.433 378 W N 1.837 122.981 121.300 -0.259 0.000 2.314 378 W HA 0.330 4.990 4.660 -0.000 0.000 0.310 378 W C -0.869 175.582 176.519 -0.112 0.000 1.075 378 W CA -0.380 56.862 57.345 -0.171 0.000 1.253 378 W CB 1.496 30.861 29.460 -0.159 0.000 1.238 378 W HN 0.833 nan 8.180 nan 0.000 0.440 379 N N 3.296 121.507 118.700 -0.815 0.000 2.439 379 N HA 0.089 4.829 4.740 -0.000 0.000 0.176 379 N C 1.558 176.588 175.510 -0.799 0.000 1.029 379 N CA 1.397 53.995 53.050 -0.753 0.000 0.886 379 N CB -0.126 37.700 38.487 -1.103 0.000 1.057 379 N HN 0.736 nan 8.380 nan 0.000 0.437 380 G N 1.129 109.060 108.800 -1.448 0.000 2.622 380 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.307 380 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.307 380 G C 0.388 175.020 174.900 -0.447 0.000 1.226 380 G CA 0.772 45.242 45.100 -1.050 0.000 0.997 380 G HN 0.327 nan 8.290 nan 0.000 0.551 381 Y N 2.700 123.004 120.300 0.007 0.000 2.490 381 Y HA 0.392 4.942 4.550 -0.000 0.000 0.281 381 Y C 2.293 178.226 175.900 0.055 0.000 1.174 381 Y CA 0.048 58.184 58.100 0.059 0.000 1.295 381 Y CB -0.587 37.926 38.460 0.088 0.000 1.062 381 Y HN 0.694 nan 8.280 nan 0.000 0.522 382 G N 1.344 110.215 108.800 0.118 0.000 2.491 382 G HA2 0.394 4.353 3.960 -0.000 0.000 0.242 382 G HA3 0.394 4.353 3.960 -0.000 0.000 0.242 382 G C 0.037 175.037 174.900 0.165 0.000 1.266 382 G CA -0.439 44.707 45.100 0.076 0.000 0.844 382 G HN -0.011 nan 8.290 nan 0.000 0.571 383 R N -0.057 120.515 120.500 0.120 0.000 2.725 383 R HA 0.597 4.937 4.340 -0.000 0.000 0.277 383 R C -0.883 175.469 176.300 0.087 0.000 0.987 383 R CA -0.753 55.421 56.100 0.123 0.000 0.901 383 R CB 1.826 32.160 30.300 0.056 0.000 1.207 383 R HN 0.561 nan 8.270 nan 0.000 0.463 384 T N -0.426 114.188 114.554 0.100 0.000 2.863 384 T HA 0.375 4.725 4.350 -0.000 0.000 0.285 384 T C 0.344 175.045 174.700 0.002 0.000 1.009 384 T CA -0.344 61.789 62.100 0.056 0.000 0.989 384 T CB 0.961 69.899 68.868 0.116 0.000 1.004 384 T HN 0.647 nan 8.240 nan 0.000 0.455 385 T N 1.335 115.862 114.554 -0.045 0.000 3.182 385 T HA 0.366 4.716 4.350 -0.000 0.000 0.277 385 T C 0.362 174.991 174.700 -0.118 0.000 1.013 385 T CA -0.681 61.371 62.100 -0.080 0.000 0.900 385 T CB 0.016 68.844 68.868 -0.066 0.000 1.098 385 T HN 0.361 nan 8.240 nan 0.000 0.543 386 R N 1.337 121.763 120.500 -0.123 0.000 2.347 386 R HA 0.562 4.902 4.340 -0.000 0.000 0.304 386 R C 1.471 177.605 176.300 -0.276 0.000 1.072 386 R CA 0.139 56.158 56.100 -0.135 0.000 0.980 386 R CB 0.493 30.761 30.300 -0.054 0.000 0.986 386 R HN 0.350 nan 8.270 nan 0.000 0.448 387 A N 3.519 126.208 122.820 -0.218 0.000 1.933 387 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 387 A C 1.339 178.742 177.584 -0.302 0.000 1.175 387 A CA 1.716 53.590 52.037 -0.272 0.000 0.628 387 A CB -0.308 18.614 19.000 -0.130 0.000 0.814 387 A HN 0.780 nan 8.150 nan 0.000 0.444 388 N N -2.479 116.153 118.700 -0.114 0.000 2.322 388 N HA 0.026 4.766 4.740 -0.000 0.000 0.194 388 N C -0.211 175.461 175.510 0.270 0.000 1.126 388 N CA 0.167 53.269 53.050 0.087 0.000 0.845 388 N CB -0.726 37.822 38.487 0.102 0.000 0.976 388 N HN 0.452 nan 8.380 nan 0.000 0.475 389 Y N -2.464 117.919 120.300 0.137 0.000 4.324 389 Y HA -0.246 4.304 4.550 -0.000 0.000 0.224 389 Y C -0.255 175.716 175.900 0.117 0.000 1.113 389 Y CA 0.474 58.629 58.100 0.091 0.000 1.887 389 Y CB -2.094 36.379 38.460 0.021 0.000 1.602 389 Y HN 0.401 nan 8.280 nan 0.000 0.654 390 W N 1.037 122.381 121.300 0.074 0.000 2.335 390 W HA 0.284 4.944 4.660 -0.000 0.000 0.307 390 W C 0.157 176.746 176.519 0.116 0.000 1.117 390 W CA -1.523 55.871 57.345 0.083 0.000 1.228 390 W CB 0.663 30.154 29.460 0.051 0.000 1.240 390 W HN 0.211 nan 8.180 nan 0.000 0.468 391 W N 7.055 128.122 121.300 -0.389 0.000 2.223 391 W HA 0.083 4.743 4.660 -0.000 0.000 0.334 391 W C -0.326 176.166 176.519 -0.044 0.000 1.334 391 W CA 0.727 57.950 57.345 -0.203 0.000 1.246 391 W CB 0.617 29.927 29.460 -0.250 0.000 1.184 391 W HN 0.328 nan 8.180 nan 0.000 0.563 392 Q N 3.677 123.039 119.800 -0.731 0.000 2.387 392 Q HA 0.134 4.474 4.340 -0.000 0.000 0.273 392 Q C -0.902 174.182 176.000 -1.528 0.000 1.089 392 Q CA -1.175 54.181 55.803 -0.746 0.000 0.824 392 Q CB 2.116 30.639 28.738 -0.359 0.000 1.367 392 Q HN 0.527 nan 8.270 nan 0.000 0.443 393 E N -0.166 119.450 120.200 -0.974 0.000 2.558 393 E HA 0.062 4.412 4.350 -0.000 0.000 0.255 393 E C 0.519 176.819 176.600 -0.500 0.000 0.968 393 E CA 1.334 57.319 56.400 -0.692 0.000 0.939 393 E CB -0.019 29.603 29.700 -0.130 0.000 0.921 393 E HN 0.816 nan 8.360 nan 0.000 0.477 394 G N 3.990 112.558 108.800 -0.386 0.000 2.234 394 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 394 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 394 G C -0.138 174.558 174.900 -0.340 0.000 0.997 394 G CA 0.075 45.013 45.100 -0.270 0.000 0.623 394 G HN 0.639 nan 8.290 nan 0.000 0.514 395 D N 1.957 122.024 120.400 -0.555 0.000 2.362 395 D HA 0.423 5.063 4.640 -0.000 0.000 0.242 395 D C 0.380 176.544 176.300 -0.226 0.000 1.132 395 D CA -0.232 53.516 54.000 -0.420 0.000 0.907 395 D CB 0.393 40.822 40.800 -0.619 0.000 1.195 395 D HN 0.171 nan 8.370 nan 0.000 0.429 396 D N 0.545 120.866 120.400 -0.131 0.000 2.583 396 D HA -0.056 4.584 4.640 -0.000 0.000 0.232 396 D C 0.024 176.285 176.300 -0.064 0.000 1.128 396 D CA 0.393 54.323 54.000 -0.116 0.000 0.859 396 D CB 0.044 40.821 40.800 -0.039 0.000 1.169 396 D HN 0.097 nan 8.370 nan 0.000 0.481 397 F N 1.969 121.871 119.950 -0.080 0.000 2.471 397 F HA 0.222 4.749 4.527 -0.000 0.000 0.353 397 F C 1.058 176.314 175.800 -0.907 0.000 1.113 397 F CA 0.077 57.790 58.000 -0.478 0.000 1.262 397 F CB 0.255 38.802 39.000 -0.755 0.000 1.146 397 F HN 0.015 nan 8.300 nan 0.000 0.578 398 M N 0.720 119.972 119.600 -0.581 0.000 2.691 398 M HA 0.347 4.827 4.480 -0.000 0.000 0.293 398 M C 1.294 177.433 176.300 -0.268 0.000 1.259 398 M CA -0.569 54.419 55.300 -0.521 0.000 0.827 398 M CB 1.989 34.463 32.600 -0.210 0.000 1.753 398 M HN 0.681 nan 8.290 nan 0.000 0.465 399 G N -0.088 108.675 108.800 -0.063 0.000 2.432 399 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 399 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 399 G C 0.205 175.090 174.900 -0.025 0.000 1.135 399 G CA 0.518 45.630 45.100 0.019 0.000 0.767 399 G HN 0.688 nan 8.290 nan 0.000 0.550 400 D N 1.854 122.232 120.400 -0.036 0.000 2.358 400 D HA 0.229 4.869 4.640 -0.000 0.000 0.258 400 D C -2.128 174.104 176.300 -0.112 0.000 1.223 400 D CA -0.811 53.170 54.000 -0.031 0.000 0.886 400 D CB 1.593 42.330 40.800 -0.105 0.000 1.120 400 D HN 0.156 nan 8.370 nan 0.000 0.482 401 P HA 0.181 nan 4.420 nan 0.000 0.279 401 P C -2.138 174.764 177.300 -0.662 0.000 1.282 401 P CA -1.395 61.197 63.100 -0.847 0.000 0.788 401 P CB 0.137 30.650 31.700 -1.979 0.000 1.139 402 P HA -0.120 nan 4.420 nan 0.000 0.236 402 P C 1.015 178.046 177.300 -0.449 0.000 1.172 402 P CA 1.058 63.857 63.100 -0.502 0.000 0.759 402 P CB -0.264 31.190 31.700 -0.410 0.000 0.843 403 Q N -0.421 119.164 119.800 -0.358 0.000 2.319 403 Q HA 0.107 4.447 4.340 -0.000 0.000 0.202 403 Q C -0.035 175.829 176.000 -0.227 0.000 0.896 403 Q CA 0.693 56.424 55.803 -0.120 0.000 0.942 403 Q CB 0.172 28.959 28.738 0.081 0.000 1.083 403 Q HN 0.230 nan 8.270 nan 0.000 0.510 404 E N 0.761 120.641 120.200 -0.533 0.000 2.336 404 E HA 0.350 4.700 4.350 -0.000 0.000 0.267 404 E C -1.316 174.926 176.600 -0.596 0.000 0.906 404 E CA -0.917 55.235 56.400 -0.414 0.000 0.781 404 E CB 1.439 30.959 29.700 -0.301 0.000 1.261 404 E HN 0.043 nan 8.360 nan 0.000 0.436 405 E N 1.771 121.716 120.200 -0.425 0.000 2.442 405 E HA -0.053 4.297 4.350 -0.000 0.000 0.262 405 E C -0.584 175.777 176.600 -0.399 0.000 1.004 405 E CA 0.300 56.410 56.400 -0.483 0.000 0.928 405 E CB 0.365 29.403 29.700 -1.104 0.000 0.937 405 E HN 0.129 nan 8.360 nan 0.000 0.446 406 Q N 1.791 121.476 119.800 -0.192 0.000 2.348 406 Q HA 0.296 4.636 4.340 -0.000 0.000 0.251 406 Q C 0.703 176.733 176.000 0.049 0.000 1.113 406 Q CA 0.611 56.389 55.803 -0.041 0.000 0.902 406 Q CB 0.768 29.557 28.738 0.084 0.000 1.333 406 Q HN 0.883 nan 8.270 nan 0.000 0.457 407 G N 2.303 111.103 108.800 -0.000 0.000 2.205 407 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.180 407 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.180 407 G C 0.649 175.590 174.900 0.069 0.000 1.004 407 G CA 0.263 45.435 45.100 0.120 0.000 0.670 407 G HN 0.550 nan 8.290 nan 0.000 0.496 408 M N -0.756 118.797 119.600 -0.078 0.000 2.059 408 M HA 0.075 4.554 4.480 -0.000 0.000 0.259 408 M C 1.936 178.136 176.300 -0.167 0.000 1.072 408 M CA 2.186 57.413 55.300 -0.120 0.000 1.117 408 M CB 0.023 32.404 32.600 -0.365 0.000 1.320 408 M HN 0.261 nan 8.290 nan 0.000 0.408 409 Y N -1.010 119.342 120.300 0.086 0.000 2.432 409 Y HA 0.393 4.943 4.550 -0.000 0.000 0.252 409 Y C 1.119 177.056 175.900 0.062 0.000 1.097 409 Y CA -0.266 57.929 58.100 0.158 0.000 1.250 409 Y CB -0.249 38.430 38.460 0.365 0.000 1.245 409 Y HN 0.179 nan 8.280 nan 0.000 0.522 410 G N 0.797 109.614 108.800 0.029 0.000 2.483 410 G HA2 0.398 4.358 3.960 -0.000 0.000 0.248 410 G HA3 0.398 4.358 3.960 -0.000 0.000 0.248 410 G C -0.699 173.990 174.900 -0.353 0.000 1.248 410 G CA -0.173 44.793 45.100 -0.223 0.000 0.838 410 G HN -0.084 nan 8.290 nan 0.000 0.566 411 V N 2.602 122.321 119.914 -0.326 0.000 2.383 411 V HA 0.319 4.439 4.120 -0.000 0.000 0.275 411 V C -0.267 175.408 176.094 -0.698 0.000 1.036 411 V CA -0.478 61.651 62.300 -0.285 0.000 0.889 411 V CB 0.406 32.244 31.823 0.026 0.000 0.985 411 V HN 0.486 nan 8.190 nan 0.000 0.459 412 F N 3.451 123.185 119.950 -0.359 0.000 2.370 412 F HA 0.246 4.773 4.527 -0.000 0.000 0.324 412 F C 1.806 177.341 175.800 -0.441 0.000 1.116 412 F CA -0.523 57.222 58.000 -0.424 0.000 1.123 412 F CB 0.676 39.553 39.000 -0.204 0.000 1.238 412 F HN 0.708 nan 8.300 nan 0.000 0.536 413 D N -0.755 119.495 120.400 -0.251 0.000 2.221 413 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 413 D C 1.445 177.769 176.300 0.041 0.000 0.982 413 D CA 1.796 55.716 54.000 -0.133 0.000 0.857 413 D CB -0.829 39.836 40.800 -0.225 0.000 0.934 413 D HN 0.631 nan 8.370 nan 0.000 0.475 414 T N -2.549 112.042 114.554 0.062 0.000 3.148 414 T HA -0.008 4.342 4.350 -0.000 0.000 0.253 414 T C 0.406 175.142 174.700 0.059 0.000 1.134 414 T CA -0.197 61.938 62.100 0.057 0.000 1.051 414 T CB -0.102 68.774 68.868 0.014 0.000 0.959 414 T HN -0.146 nan 8.240 nan 0.000 0.525 415 D N 2.630 123.081 120.400 0.084 0.000 2.608 415 D HA 0.195 4.835 4.640 -0.000 0.000 0.224 415 D C 1.035 177.387 176.300 0.088 0.000 1.123 415 D CA 0.031 54.082 54.000 0.086 0.000 1.030 415 D CB 0.591 41.455 40.800 0.106 0.000 1.093 415 D HN 0.262 nan 8.370 nan 0.000 0.497 416 T N -0.539 114.058 114.554 0.070 0.000 2.720 416 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 416 T C 2.152 176.898 174.700 0.076 0.000 1.037 416 T CA 1.724 63.868 62.100 0.074 0.000 1.144 416 T CB 0.017 68.917 68.868 0.053 0.000 0.864 416 T HN 0.416 nan 8.240 nan 0.000 0.444 417 S N 1.318 117.053 115.700 0.058 0.000 2.368 417 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 417 S C 2.182 176.835 174.600 0.088 0.000 1.029 417 S CA 1.521 59.753 58.200 0.054 0.000 0.988 417 S CB -1.111 62.101 63.200 0.019 0.000 0.838 417 S HN 0.477 nan 8.310 nan 0.000 0.462 418 T N 2.857 117.469 114.554 0.096 0.000 2.746 418 T HA 0.122 4.472 4.350 -0.000 0.000 0.267 418 T C 1.774 176.612 174.700 0.230 0.000 1.039 418 T CA 1.475 63.670 62.100 0.158 0.000 1.142 418 T CB -0.524 68.429 68.868 0.142 0.000 0.866 418 T HN 0.376 nan 8.240 nan 0.000 0.444 419 I N 1.433 122.125 120.570 0.203 0.000 2.286 419 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 419 I C 2.887 179.100 176.117 0.160 0.000 1.115 419 I CA 1.008 62.434 61.300 0.210 0.000 1.392 419 I CB -0.431 37.694 38.000 0.208 0.000 1.065 419 I HN 0.200 nan 8.210 nan 0.000 0.418 420 A N 0.885 123.785 122.820 0.133 0.000 1.933 420 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 420 A C 2.275 179.935 177.584 0.127 0.000 1.175 420 A CA 1.458 53.556 52.037 0.102 0.000 0.628 420 A CB -0.739 18.306 19.000 0.076 0.000 0.814 420 A HN 0.386 nan 8.150 nan 0.000 0.444 421 I N -0.892 119.799 120.570 0.202 0.000 2.252 421 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 421 I C 2.710 179.043 176.117 0.359 0.000 1.102 421 I CA 1.492 62.989 61.300 0.328 0.000 1.385 421 I CB -0.317 37.930 38.000 0.412 0.000 1.064 421 I HN 0.329 nan 8.210 nan 0.000 0.414 422 M N 0.225 120.007 119.600 0.304 0.000 2.080 422 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 422 M C 2.404 178.755 176.300 0.084 0.000 1.068 422 M CA 1.860 57.277 55.300 0.194 0.000 1.109 422 M CB -0.438 32.276 32.600 0.190 0.000 1.342 422 M HN 0.073 nan 8.290 nan 0.000 0.405 423 K N 0.321 120.766 120.400 0.075 0.000 2.057 423 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 423 K C 1.899 178.491 176.600 -0.013 0.000 1.049 423 K CA 1.849 58.149 56.287 0.022 0.000 0.931 423 K CB -0.008 32.507 32.500 0.025 0.000 0.714 423 K HN 0.132 nan 8.250 nan 0.000 0.440 424 E N 0.147 120.327 120.200 -0.033 0.000 2.017 424 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 424 E C 1.644 178.106 176.600 -0.229 0.000 0.997 424 E CA 1.827 58.126 56.400 -0.168 0.000 0.804 424 E CB -0.366 29.177 29.700 -0.262 0.000 0.757 424 E HN 0.322 nan 8.360 nan 0.000 0.448 425 F N 0.756 120.658 119.950 -0.081 0.000 2.259 425 F HA 0.087 4.613 4.527 -0.000 0.000 0.298 425 F C 2.030 177.850 175.800 0.033 0.000 1.088 425 F CA 1.216 59.161 58.000 -0.091 0.000 1.358 425 F CB -0.463 38.229 39.000 -0.513 0.000 1.040 425 F HN 0.116 nan 8.300 nan 0.000 0.505 426 N N 0.022 118.773 118.700 0.086 0.000 2.149 426 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 426 N C 1.970 177.514 175.510 0.056 0.000 1.019 426 N CA 0.956 54.039 53.050 0.054 0.000 0.857 426 N CB -0.247 38.226 38.487 -0.023 0.000 0.997 426 N HN 0.265 nan 8.380 nan 0.000 0.426 427 A N 1.312 124.145 122.820 0.022 0.000 1.897 427 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 427 A C 2.045 179.637 177.584 0.013 0.000 1.181 427 A CA 0.893 52.929 52.037 -0.003 0.000 0.620 427 A CB -0.043 18.934 19.000 -0.038 0.000 0.821 427 A HN 0.084 nan 8.150 nan 0.000 0.443 428 R N -1.084 119.426 120.500 0.018 0.000 2.115 428 R HA 0.026 4.366 4.340 -0.000 0.000 0.230 428 R C 1.512 177.816 176.300 0.007 0.000 1.111 428 R CA 0.905 56.991 56.100 -0.022 0.000 0.976 428 R CB -1.093 29.148 30.300 -0.099 0.000 0.870 428 R HN 0.619 nan 8.270 nan 0.000 0.445 429 F N 1.296 121.264 119.950 0.029 0.000 2.558 429 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 429 F C 0.930 176.715 175.800 -0.024 0.000 1.119 429 F CA 0.461 58.483 58.000 0.037 0.000 1.451 429 F CB 0.141 39.185 39.000 0.074 0.000 1.091 429 F HN -0.158 nan 8.300 nan 0.000 0.563 430 Q N 1.783 121.646 119.800 0.105 0.000 2.297 430 Q HA 0.194 4.534 4.340 -0.000 0.000 0.267 430 Q C -1.101 174.904 176.000 0.009 0.000 1.006 430 Q CA -1.042 54.776 55.803 0.026 0.000 0.896 430 Q CB -0.187 28.549 28.738 -0.003 0.000 1.186 430 Q HN 0.233 nan 8.270 nan 0.000 0.392 431 P HA 0.000 nan 4.420 nan 0.000 0.216 431 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 431 P CB 0.000 31.706 31.700 0.010 0.000 0.726