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 2xdv_1_A DATA FIRST_RESID 30 DATA SEQUENCE PSALNFDSPS SLFESLISPI KTETFFKEFW EQKPLLIQRD DPALATYYGS DATA SEQUENCE LFKLTDLKSL CXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXKDFD DATA SEQUENCE QKRATIQFHQ PQRFKDELWR IQEKLECYFG SLVGSNVYIT PAGSQGLPPH DATA SEQUENCE YDDVEVFILQ LEGEKHWRLY HPTVPLAREY SVEAEERIGR PVHEFMLKPG DATA SEQUENCE DLLYFPRGTI HQADTPAGLA HSTHVTISTY QNNSWGDFLL DTISGLVFDT DATA SEQUENCE AKEDVELRTG IPRQLLLQXE STTVATRRLS GFLRTLADRL EGTKELLSSD DATA SEQUENCE MKKDFIMHRL PPYSAXXXXX XXXXXXKLPR LDSVVRLQFK DHIVLTVLPX DATA SEQUENCE XXXXXXXXEK MVYIYHSLKN SRETHMMGNX XXXXXHGLRF PLSHLDALKQ DATA SEQUENCE IWNSPAISVK DLKLTTDEEK ESLVLSLWTE CLIQVV 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.226 177.300 -0.123 0.000 1.155 30 P CA 0.000 63.040 63.100 -0.099 0.000 0.800 30 P CB 0.000 31.651 31.700 -0.082 0.000 0.726 31 S N 1.252 116.881 115.700 -0.118 0.000 2.387 31 S HA 0.298 4.768 4.470 -0.000 0.000 0.226 31 S C 1.295 175.802 174.600 -0.155 0.000 1.026 31 S CA 0.589 58.711 58.200 -0.130 0.000 0.972 31 S CB -1.083 62.048 63.200 -0.115 0.000 0.814 31 S HN 0.661 nan 8.310 nan 0.000 0.477 32 A N 2.330 125.050 122.820 -0.167 0.000 2.540 32 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 32 A C 0.357 177.782 177.584 -0.265 0.000 1.061 32 A CA -0.294 51.604 52.037 -0.232 0.000 0.758 32 A CB -0.340 18.553 19.000 -0.179 0.000 0.991 32 A HN 0.604 nan 8.150 nan 0.000 0.502 33 L N 2.804 123.808 121.223 -0.366 0.000 2.418 33 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 33 L C 0.580 177.193 176.870 -0.429 0.000 1.135 33 L CA -0.267 54.312 54.840 -0.435 0.000 0.870 33 L CB -0.016 41.742 42.059 -0.502 0.000 1.154 33 L HN 0.727 nan 8.230 nan 0.000 0.462 34 N N 3.482 121.924 118.700 -0.431 0.000 2.500 34 N HA 0.163 4.903 4.740 -0.000 0.000 0.236 34 N C -0.059 175.241 175.510 -0.349 0.000 1.022 34 N CA -0.254 52.634 53.050 -0.270 0.000 0.935 34 N CB 0.466 38.838 38.487 -0.193 0.000 1.147 34 N HN 0.310 nan 8.380 nan 0.000 0.512 35 F N 1.025 120.917 119.950 -0.096 0.000 2.676 35 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 35 F C 1.426 177.191 175.800 -0.058 0.000 1.160 35 F CA -0.379 57.571 58.000 -0.083 0.000 1.401 35 F CB 0.340 39.277 39.000 -0.106 0.000 1.037 35 F HN 0.350 nan 8.300 nan 0.000 0.522 36 D N 0.118 120.545 120.400 0.046 0.000 2.117 36 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 36 D C 1.121 177.435 176.300 0.024 0.000 0.987 36 D CA 1.353 55.370 54.000 0.028 0.000 0.829 36 D CB 0.039 40.837 40.800 -0.005 0.000 0.961 36 D HN 0.340 nan 8.370 nan 0.000 0.460 37 S N -2.199 113.503 115.700 0.005 0.000 2.607 37 S HA 0.443 4.913 4.470 -0.000 0.000 0.273 37 S C -2.515 172.092 174.600 0.010 0.000 1.148 37 S CA -1.188 57.023 58.200 0.018 0.000 0.833 37 S CB 2.285 65.490 63.200 0.008 0.000 1.130 37 S HN -0.315 nan 8.310 nan 0.000 0.470 38 P HA -0.032 nan 4.420 nan 0.000 0.216 38 P C 1.402 178.681 177.300 -0.035 0.000 1.150 38 P CA 1.415 64.553 63.100 0.064 0.000 0.837 38 P CB -0.084 31.719 31.700 0.172 0.000 0.786 39 S N -0.047 115.680 115.700 0.045 0.000 2.356 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.223 39 S C 2.136 176.661 174.600 -0.124 0.000 1.032 39 S CA 1.916 60.123 58.200 0.012 0.000 1.005 39 S CB -1.187 62.069 63.200 0.093 0.000 0.867 39 S HN 0.347 nan 8.310 nan 0.000 0.449 40 S N 1.748 117.383 115.700 -0.108 0.000 2.402 40 S HA -0.021 4.449 4.470 -0.000 0.000 0.229 40 S C 1.858 176.309 174.600 -0.249 0.000 1.021 40 S CA 0.924 59.033 58.200 -0.152 0.000 0.974 40 S CB -0.570 62.562 63.200 -0.114 0.000 0.800 40 S HN 0.347 nan 8.310 nan 0.000 0.484 41 L N 0.238 121.293 121.223 -0.279 0.000 2.027 41 L HA 0.126 4.466 4.340 -0.000 0.000 0.206 41 L C 2.228 178.860 176.870 -0.397 0.000 1.074 41 L CA 1.729 56.330 54.840 -0.398 0.000 0.745 41 L CB -0.793 41.031 42.059 -0.392 0.000 0.898 41 L HN 0.309 nan 8.230 nan 0.000 0.433 42 F N 0.774 120.367 119.950 -0.596 0.000 2.134 42 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 42 F C 2.509 177.994 175.800 -0.526 0.000 1.097 42 F CA 2.002 59.566 58.000 -0.725 0.000 1.264 42 F CB -0.318 37.856 39.000 -1.377 0.000 1.001 42 F HN 0.327 nan 8.300 nan 0.000 0.479 43 E N 0.080 119.996 120.200 -0.474 0.000 2.085 43 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 43 E C 2.229 178.590 176.600 -0.398 0.000 0.994 43 E CA 1.917 58.085 56.400 -0.387 0.000 0.801 43 E CB -0.324 29.257 29.700 -0.199 0.000 0.743 43 E HN 0.454 nan 8.360 nan 0.000 0.453 44 S N -0.171 115.307 115.700 -0.369 0.000 2.414 44 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 44 S C 2.001 176.403 174.600 -0.331 0.000 1.022 44 S CA 0.784 58.794 58.200 -0.317 0.000 0.958 44 S CB -0.414 62.605 63.200 -0.303 0.000 0.797 44 S HN 0.314 nan 8.310 nan 0.000 0.493 45 L N 2.508 123.477 121.223 -0.425 0.000 2.046 45 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 45 L C 2.000 178.645 176.870 -0.375 0.000 1.077 45 L CA 1.774 56.392 54.840 -0.371 0.000 0.747 45 L CB -0.585 41.202 42.059 -0.455 0.000 0.896 45 L HN 0.649 nan 8.230 nan 0.000 0.432 46 I N -3.520 116.692 120.570 -0.597 0.000 3.812 46 I HA 0.184 4.354 4.170 -0.000 0.000 0.320 46 I C 1.028 176.944 176.117 -0.336 0.000 1.276 46 I CA -0.212 60.782 61.300 -0.510 0.000 1.164 46 I CB -0.431 37.089 38.000 -0.800 0.000 1.009 46 I HN 0.034 nan 8.210 nan 0.000 0.431 47 S N 3.338 118.869 115.700 -0.281 0.000 2.558 47 S HA 0.118 4.588 4.470 -0.000 0.000 0.293 47 S C -1.062 173.445 174.600 -0.156 0.000 1.292 47 S CA -0.711 57.369 58.200 -0.199 0.000 1.063 47 S CB 0.477 63.571 63.200 -0.177 0.000 0.831 47 S HN 0.352 nan 8.310 nan 0.000 0.499 48 P HA 0.172 nan 4.420 nan 0.000 0.257 48 P C -0.157 177.087 177.300 -0.094 0.000 1.281 48 P CA -0.088 62.949 63.100 -0.104 0.000 0.826 48 P CB -0.033 31.622 31.700 -0.076 0.000 1.237 49 I N 0.986 121.485 120.570 -0.118 0.000 2.556 49 I HA 0.085 4.255 4.170 -0.000 0.000 0.284 49 I C 1.006 177.077 176.117 -0.077 0.000 1.114 49 I CA -0.280 60.971 61.300 -0.082 0.000 1.418 49 I CB -0.014 37.922 38.000 -0.107 0.000 1.394 49 I HN -0.110 nan 8.210 nan 0.000 0.552 50 K N 3.779 124.179 120.400 0.001 0.000 2.218 50 K HA 0.135 4.455 4.320 -0.000 0.000 0.276 50 K C 1.363 178.021 176.600 0.097 0.000 1.022 50 K CA -0.155 56.148 56.287 0.026 0.000 0.946 50 K CB 1.059 33.590 32.500 0.051 0.000 1.000 50 K HN 0.725 nan 8.250 nan 0.000 0.468 51 T N -0.721 113.908 114.554 0.124 0.000 2.803 51 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 51 T C 1.249 176.202 174.700 0.422 0.000 1.052 51 T CA 1.299 63.584 62.100 0.309 0.000 1.136 51 T CB -0.089 69.027 68.868 0.414 0.000 0.864 51 T HN 0.534 nan 8.240 nan 0.000 0.467 52 E N 1.226 121.597 120.200 0.284 0.000 2.077 52 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 52 E C 2.564 179.309 176.600 0.240 0.000 0.989 52 E CA 1.787 58.337 56.400 0.250 0.000 0.800 52 E CB -0.927 28.865 29.700 0.153 0.000 0.746 52 E HN 0.624 nan 8.360 nan 0.000 0.452 53 T N 0.622 115.307 114.554 0.218 0.000 2.737 53 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 53 T C 1.579 176.463 174.700 0.308 0.000 1.038 53 T CA 1.078 63.314 62.100 0.227 0.000 1.144 53 T CB -0.490 68.513 68.868 0.225 0.000 0.866 53 T HN 0.140 nan 8.240 nan 0.000 0.434 54 F N 1.338 121.384 119.950 0.160 0.000 2.095 54 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 54 F C 1.722 177.504 175.800 -0.030 0.000 1.104 54 F CA 1.185 59.228 58.000 0.071 0.000 1.232 54 F CB -0.573 38.309 39.000 -0.196 0.000 0.987 54 F HN 0.118 nan 8.300 nan 0.000 0.475 55 F N -0.241 119.843 119.950 0.224 0.000 2.259 55 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 55 F C 2.633 178.476 175.800 0.072 0.000 1.088 55 F CA 1.328 59.387 58.000 0.099 0.000 1.358 55 F CB -0.870 38.187 39.000 0.096 0.000 1.040 55 F HN -0.216 nan 8.300 nan 0.000 0.505 56 K N 0.207 120.721 120.400 0.189 0.000 2.044 56 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 56 K C 1.834 178.428 176.600 -0.011 0.000 1.049 56 K CA 1.592 57.938 56.287 0.098 0.000 0.945 56 K CB -0.253 32.297 32.500 0.083 0.000 0.724 56 K HN 0.420 nan 8.250 nan 0.000 0.440 57 E N -2.160 117.976 120.200 -0.107 0.000 2.201 57 E HA 0.160 4.510 4.350 -0.000 0.000 0.193 57 E C 1.661 177.918 176.600 -0.572 0.000 0.957 57 E CA 0.815 56.978 56.400 -0.396 0.000 0.858 57 E CB 0.162 29.477 29.700 -0.641 0.000 0.816 57 E HN 0.406 nan 8.360 nan 0.000 0.475 58 F N -0.387 119.463 119.950 -0.167 0.000 2.480 58 F HA 0.102 4.629 4.527 -0.000 0.000 0.280 58 F C 0.986 176.653 175.800 -0.222 0.000 1.002 58 F CA -0.327 57.553 58.000 -0.201 0.000 1.325 58 F CB -0.226 38.633 39.000 -0.235 0.000 1.134 58 F HN 0.044 nan 8.300 nan 0.000 0.646 59 W N 4.524 125.410 121.300 -0.691 0.000 2.534 59 W HA -0.047 4.613 4.660 -0.000 0.000 0.340 59 W C 0.205 176.696 176.519 -0.046 0.000 1.352 59 W CA 0.766 57.816 57.345 -0.492 0.000 1.305 59 W CB 0.015 29.203 29.460 -0.453 0.000 1.299 59 W HN 0.472 nan 8.180 nan 0.000 0.572 60 E N 2.528 122.491 120.200 -0.395 0.000 2.791 60 E HA -0.330 4.020 4.350 -0.000 0.000 0.271 60 E C 0.611 177.150 176.600 -0.102 0.000 1.044 60 E CA 1.164 57.362 56.400 -0.337 0.000 0.814 60 E CB -1.012 28.431 29.700 -0.427 0.000 1.400 60 E HN 0.732 nan 8.360 nan 0.000 0.423 61 Q N -0.616 119.174 119.800 -0.017 0.000 2.570 61 Q HA 0.166 4.506 4.340 -0.000 0.000 0.222 61 Q C 0.393 176.408 176.000 0.025 0.000 0.769 61 Q CA 0.519 56.317 55.803 -0.008 0.000 0.934 61 Q CB 0.850 29.566 28.738 -0.037 0.000 1.309 61 Q HN 0.258 nan 8.270 nan 0.000 0.565 62 K N 0.007 120.471 120.400 0.106 0.000 2.607 62 K HA 0.492 4.812 4.320 -0.000 0.000 0.287 62 K C -3.218 173.557 176.600 0.291 0.000 0.996 62 K CA -1.913 54.458 56.287 0.140 0.000 0.876 62 K CB 1.861 34.412 32.500 0.085 0.000 1.496 62 K HN -0.284 nan 8.250 nan 0.000 0.415 63 P HA 0.098 nan 4.420 nan 0.000 0.269 63 P C -1.234 176.268 177.300 0.338 0.000 1.215 63 P CA -0.506 62.728 63.100 0.223 0.000 0.780 63 P CB 0.388 32.188 31.700 0.167 0.000 0.898 64 L N 3.758 125.095 121.223 0.190 0.000 2.372 64 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 64 L C -1.582 175.204 176.870 -0.139 0.000 0.988 64 L CA -0.786 53.972 54.840 -0.136 0.000 0.833 64 L CB 1.285 43.136 42.059 -0.346 0.000 1.236 64 L HN 0.118 nan 8.230 nan 0.000 0.410 65 L N 6.758 127.858 121.223 -0.206 0.000 2.287 65 L HA 0.626 4.966 4.340 -0.000 0.000 0.287 65 L C -1.021 175.707 176.870 -0.237 0.000 1.022 65 L CA 0.000 54.648 54.840 -0.321 0.000 0.814 65 L CB 1.038 42.789 42.059 -0.515 0.000 1.217 65 L HN 0.578 nan 8.230 nan 0.000 0.420 66 I N 5.264 125.712 120.570 -0.203 0.000 2.388 66 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 66 I C -0.248 175.789 176.117 -0.132 0.000 1.046 66 I CA -0.347 60.862 61.300 -0.151 0.000 1.187 66 I CB 0.703 38.625 38.000 -0.131 0.000 1.351 66 I HN 0.567 nan 8.210 nan 0.000 0.472 67 Q N 6.376 126.105 119.800 -0.120 0.000 2.274 67 Q HA 0.530 4.870 4.340 -0.000 0.000 0.256 67 Q C -0.474 175.480 176.000 -0.076 0.000 0.927 67 Q CA -0.465 55.285 55.803 -0.089 0.000 0.939 67 Q CB 2.001 30.699 28.738 -0.068 0.000 1.201 67 Q HN 0.576 nan 8.270 nan 0.000 0.426 68 R N 0.989 121.441 120.500 -0.080 0.000 2.923 68 R HA 0.400 4.740 4.340 -0.000 0.000 0.252 68 R C -0.874 175.385 176.300 -0.069 0.000 1.130 68 R CA -0.796 55.252 56.100 -0.085 0.000 1.043 68 R CB 0.989 31.215 30.300 -0.123 0.000 1.205 68 R HN 0.452 nan 8.270 nan 0.000 0.495 69 D N 0.261 120.621 120.400 -0.066 0.000 2.849 69 D HA 0.099 4.739 4.640 -0.000 0.000 0.314 69 D C -1.430 174.836 176.300 -0.057 0.000 1.210 69 D CA -0.163 53.806 54.000 -0.052 0.000 0.756 69 D CB 0.362 41.140 40.800 -0.037 0.000 1.222 69 D HN 0.327 nan 8.370 nan 0.000 0.521 70 D N 1.880 122.236 120.400 -0.074 0.000 2.378 70 D HA 0.224 4.864 4.640 -0.000 0.000 0.265 70 D C -1.838 174.422 176.300 -0.067 0.000 1.229 70 D CA -1.791 52.164 54.000 -0.076 0.000 0.914 70 D CB 2.080 42.816 40.800 -0.106 0.000 1.140 70 D HN 0.096 nan 8.370 nan 0.000 0.516 71 P HA -0.068 nan 4.420 nan 0.000 0.220 71 P C 1.118 178.412 177.300 -0.010 0.000 1.148 71 P CA 0.679 63.765 63.100 -0.024 0.000 0.803 71 P CB 0.441 32.133 31.700 -0.013 0.000 0.782 72 A N -0.304 122.509 122.820 -0.012 0.000 1.873 72 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 72 A C 2.194 179.802 177.584 0.040 0.000 1.186 72 A CA 1.129 53.173 52.037 0.011 0.000 0.616 72 A CB -1.553 17.442 19.000 -0.009 0.000 0.823 72 A HN 0.121 nan 8.150 nan 0.000 0.442 73 L N -0.682 120.532 121.223 -0.015 0.000 2.083 73 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 73 L C 2.931 179.765 176.870 -0.060 0.000 1.083 73 L CA 1.585 56.407 54.840 -0.031 0.000 0.752 73 L CB -0.689 41.257 42.059 -0.189 0.000 0.899 73 L HN 0.468 nan 8.230 nan 0.000 0.433 74 A N -0.758 122.007 122.820 -0.092 0.000 1.877 74 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 74 A C 2.211 179.833 177.584 0.063 0.000 1.186 74 A CA 2.334 54.340 52.037 -0.051 0.000 0.620 74 A CB -0.913 18.063 19.000 -0.040 0.000 0.822 74 A HN 0.439 nan 8.150 nan 0.000 0.443 75 T N -1.605 112.995 114.554 0.077 0.000 2.746 75 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 75 T C 1.790 176.581 174.700 0.153 0.000 1.039 75 T CA 1.683 63.841 62.100 0.098 0.000 1.142 75 T CB -0.429 68.487 68.868 0.080 0.000 0.866 75 T HN 0.564 nan 8.240 nan 0.000 0.444 76 Y N 0.807 121.167 120.300 0.100 0.000 2.114 76 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 76 Y C 2.166 178.221 175.900 0.259 0.000 1.143 76 Y CA 1.133 59.328 58.100 0.158 0.000 1.135 76 Y CB -0.614 37.942 38.460 0.160 0.000 0.980 76 Y HN 0.156 nan 8.280 nan 0.000 0.499 77 Y N 0.183 120.479 120.300 -0.006 0.000 2.128 77 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 77 Y C 2.783 178.656 175.900 -0.043 0.000 1.154 77 Y CA 1.203 59.278 58.100 -0.042 0.000 1.149 77 Y CB -1.304 37.196 38.460 0.066 0.000 0.976 77 Y HN 0.230 nan 8.280 nan 0.000 0.505 78 G N -1.344 107.552 108.800 0.161 0.000 2.501 78 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 78 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 78 G C 1.771 176.691 174.900 0.033 0.000 1.114 78 G CA 1.377 46.534 45.100 0.095 0.000 0.757 78 G HN 0.502 nan 8.290 nan 0.000 0.559 79 S N -0.267 115.416 115.700 -0.029 0.000 2.503 79 S HA 0.182 4.652 4.470 -0.000 0.000 0.217 79 S C 2.209 176.751 174.600 -0.098 0.000 0.999 79 S CA 0.068 58.226 58.200 -0.069 0.000 0.914 79 S CB -0.148 63.008 63.200 -0.073 0.000 0.782 79 S HN 0.275 nan 8.310 nan 0.000 0.520 80 L N -0.631 120.517 121.223 -0.126 0.000 2.042 80 L HA 0.232 4.572 4.340 -0.000 0.000 0.210 80 L C 0.649 177.586 176.870 0.112 0.000 1.076 80 L CA 1.109 55.912 54.840 -0.062 0.000 0.749 80 L CB -0.237 41.755 42.059 -0.111 0.000 0.893 80 L HN 0.414 nan 8.230 nan 0.000 0.432 81 F N -0.949 118.972 119.950 -0.049 0.000 2.654 81 F HA 0.399 4.926 4.527 -0.000 0.000 0.314 81 F C -0.966 174.818 175.800 -0.028 0.000 1.116 81 F CA -0.990 56.980 58.000 -0.049 0.000 1.017 81 F CB 1.350 40.322 39.000 -0.045 0.000 1.285 81 F HN -0.311 nan 8.300 nan 0.000 0.448 82 K N 4.676 124.925 120.400 -0.251 0.000 2.385 82 K HA 0.419 4.739 4.320 -0.000 0.000 0.248 82 K C 0.002 176.541 176.600 -0.102 0.000 0.955 82 K CA -0.970 55.269 56.287 -0.079 0.000 0.816 82 K CB 2.542 34.962 32.500 -0.133 0.000 1.250 82 K HN 0.592 nan 8.250 nan 0.000 0.434 83 L N 1.887 123.139 121.223 0.048 0.000 2.081 83 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 83 L C 2.182 178.971 176.870 -0.135 0.000 1.080 83 L CA 2.504 57.324 54.840 -0.033 0.000 0.754 83 L CB -0.664 41.323 42.059 -0.120 0.000 0.893 83 L HN 0.993 nan 8.230 nan 0.000 0.433 84 T N -4.460 110.008 114.554 -0.144 0.000 2.833 84 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 84 T C 1.660 176.206 174.700 -0.257 0.000 1.054 84 T CA 1.305 63.306 62.100 -0.166 0.000 1.135 84 T CB -0.657 68.138 68.868 -0.121 0.000 0.869 84 T HN 0.385 nan 8.240 nan 0.000 0.466 85 D N 0.777 120.918 120.400 -0.431 0.000 2.263 85 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 85 D C 1.854 177.835 176.300 -0.531 0.000 0.971 85 D CA 0.492 54.115 54.000 -0.628 0.000 0.867 85 D CB -0.177 39.886 40.800 -1.229 0.000 0.929 85 D HN 0.324 nan 8.370 nan 0.000 0.492 86 L N 0.768 121.767 121.223 -0.373 0.000 2.179 86 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 86 L C 2.445 179.200 176.870 -0.191 0.000 1.096 86 L CA 1.469 56.169 54.840 -0.233 0.000 0.779 86 L CB -0.290 41.669 42.059 -0.165 0.000 0.922 86 L HN -0.060 nan 8.230 nan 0.000 0.443 87 K N -1.962 118.328 120.400 -0.183 0.000 2.444 87 K HA 0.185 4.505 4.320 -0.000 0.000 0.193 87 K C 1.873 178.396 176.600 -0.128 0.000 1.024 87 K CA 0.994 57.200 56.287 -0.135 0.000 1.077 87 K CB -0.498 31.933 32.500 -0.116 0.000 0.833 87 K HN 0.303 nan 8.250 nan 0.000 0.517 88 S N 0.650 116.248 115.700 -0.170 0.000 2.558 88 S HA 0.232 4.702 4.470 -0.000 0.000 0.217 88 S C 0.599 175.107 174.600 -0.153 0.000 0.975 88 S CA -0.073 58.033 58.200 -0.157 0.000 0.912 88 S CB 0.129 63.214 63.200 -0.193 0.000 0.776 88 S HN 0.376 nan 8.310 nan 0.000 0.526 89 L N 2.449 123.580 121.223 -0.153 0.000 3.048 89 L HA 0.379 4.719 4.340 -0.000 0.000 0.234 89 L C 0.143 176.985 176.870 -0.046 0.000 1.318 89 L CA 0.050 54.824 54.840 -0.109 0.000 1.109 89 L CB -0.521 41.496 42.059 -0.069 0.000 1.480 89 L HN 0.465 nan 8.230 nan 0.000 0.495 127 D N 0.478 120.773 120.400 -0.173 0.000 2.363 127 D HA 0.241 4.880 4.640 -0.000 0.000 0.226 127 D C 0.335 176.329 176.300 -0.510 0.000 1.020 127 D CA 1.059 54.903 54.000 -0.260 0.000 0.892 127 D CB -0.176 40.481 40.800 -0.239 0.000 0.900 127 D HN 0.658 nan 8.370 nan 0.000 0.531 128 F N -1.332 118.340 119.950 -0.463 0.000 2.654 128 F HA 0.525 5.052 4.527 -0.000 0.000 0.308 128 F C -1.316 174.279 175.800 -0.342 0.000 1.108 128 F CA -1.351 56.324 58.000 -0.542 0.000 0.957 128 F CB 1.198 40.032 39.000 -0.278 0.000 1.309 128 F HN -0.423 nan 8.300 nan 0.000 0.446 129 D N 1.091 121.324 120.400 -0.279 0.000 2.272 129 D HA 0.291 4.931 4.640 -0.000 0.000 0.247 129 D C -1.093 175.241 176.300 0.056 0.000 0.990 129 D CA -0.222 53.693 54.000 -0.141 0.000 0.931 129 D CB 1.719 42.472 40.800 -0.078 0.000 1.195 129 D HN 0.516 nan 8.370 nan 0.000 0.477 130 Q N 1.181 121.005 119.800 0.040 0.000 2.700 130 Q HA 0.166 4.506 4.340 -0.000 0.000 0.249 130 Q C -1.172 174.851 176.000 0.039 0.000 1.033 130 Q CA -0.406 55.449 55.803 0.086 0.000 0.804 130 Q CB 0.528 29.336 28.738 0.116 0.000 1.164 130 Q HN 0.278 nan 8.270 nan 0.000 0.500 131 K N 2.706 123.129 120.400 0.038 0.000 2.250 131 K HA 0.286 4.606 4.320 -0.000 0.000 0.285 131 K C 0.298 176.920 176.600 0.037 0.000 1.097 131 K CA -0.215 56.090 56.287 0.030 0.000 0.913 131 K CB 0.958 33.479 32.500 0.036 0.000 1.179 131 K HN 0.466 nan 8.250 nan 0.000 0.462 132 R N 1.026 121.542 120.500 0.026 0.000 3.883 132 R HA -0.320 4.020 4.340 -0.000 0.000 0.407 132 R C 0.592 176.912 176.300 0.033 0.000 0.242 132 R CA 1.603 57.718 56.100 0.025 0.000 1.306 132 R CB -1.323 28.989 30.300 0.021 0.000 0.973 132 R HN 0.671 nan 8.270 nan 0.000 0.574 133 A N 1.006 123.847 122.820 0.036 0.000 2.532 133 A HA 0.335 4.655 4.320 -0.000 0.000 0.273 133 A C -0.487 177.129 177.584 0.054 0.000 1.342 133 A CA 0.247 52.308 52.037 0.040 0.000 0.929 133 A CB 0.264 19.284 19.000 0.034 0.000 1.051 133 A HN 0.335 nan 8.150 nan 0.000 0.521 134 T N 0.481 115.074 114.554 0.066 0.000 2.879 134 T HA 0.526 4.876 4.350 -0.000 0.000 0.290 134 T C -0.458 174.289 174.700 0.077 0.000 0.993 134 T CA -0.138 62.017 62.100 0.091 0.000 0.975 134 T CB 1.201 70.151 68.868 0.137 0.000 0.981 134 T HN 0.226 nan 8.240 nan 0.000 0.439 135 I N 2.923 123.527 120.570 0.056 0.000 2.365 135 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 135 I C 0.406 176.502 176.117 -0.035 0.000 1.004 135 I CA -0.415 60.906 61.300 0.035 0.000 1.311 135 I CB 1.262 39.245 38.000 -0.028 0.000 1.401 135 I HN 0.409 nan 8.210 nan 0.000 0.491 136 Q N 6.479 126.225 119.800 -0.090 0.000 2.357 136 Q HA 0.342 4.682 4.340 -0.000 0.000 0.266 136 Q C -1.522 174.281 176.000 -0.328 0.000 1.021 136 Q CA -0.709 54.892 55.803 -0.337 0.000 0.784 136 Q CB 1.303 29.799 28.738 -0.403 0.000 1.243 136 Q HN 0.589 nan 8.270 nan 0.000 0.465 137 F N 4.992 124.706 119.950 -0.392 0.000 2.404 137 F HA 0.264 4.791 4.527 -0.000 0.000 0.358 137 F C -0.208 175.435 175.800 -0.262 0.000 1.120 137 F CA -0.480 57.354 58.000 -0.277 0.000 1.144 137 F CB 0.433 39.272 39.000 -0.268 0.000 1.133 137 F HN 0.558 nan 8.300 nan 0.000 0.495 138 H N 5.601 124.474 119.070 -0.328 0.000 2.683 138 H HA 0.122 4.678 4.556 -0.000 0.000 0.339 138 H C 0.007 175.302 175.328 -0.055 0.000 1.081 138 H CA -0.048 55.892 56.048 -0.180 0.000 1.432 138 H CB 0.786 30.431 29.762 -0.195 0.000 1.462 138 H HN 0.542 nan 8.280 nan 0.000 0.557 139 Q N 1.313 121.228 119.800 0.191 0.000 2.437 139 Q HA -0.139 4.201 4.340 -0.000 0.000 0.354 139 Q C -1.746 174.447 176.000 0.321 0.000 1.402 139 Q CA 0.345 56.266 55.803 0.197 0.000 1.020 139 Q CB -1.249 27.547 28.738 0.097 0.000 1.220 139 Q HN 0.652 nan 8.270 nan 0.000 0.368 140 P HA -0.213 nan 4.420 nan 0.000 0.225 140 P C 1.388 178.921 177.300 0.389 0.000 1.148 140 P CA 1.249 64.696 63.100 0.578 0.000 0.779 140 P CB 0.150 32.064 31.700 0.357 0.000 0.780 141 Q N 0.714 120.666 119.800 0.253 0.000 2.364 141 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 141 Q C 1.785 177.788 176.000 0.004 0.000 0.977 141 Q CA 1.164 57.084 55.803 0.194 0.000 0.885 141 Q CB -0.859 28.013 28.738 0.223 0.000 0.941 141 Q HN 0.224 nan 8.270 nan 0.000 0.464 142 R N -0.504 119.891 120.500 -0.176 0.000 2.120 142 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 142 R C 1.095 176.990 176.300 -0.675 0.000 1.123 142 R CA 1.914 57.671 56.100 -0.572 0.000 0.975 142 R CB -0.034 29.710 30.300 -0.927 0.000 0.866 142 R HN 0.368 nan 8.270 nan 0.000 0.446 143 F N -1.028 119.009 119.950 0.146 0.000 2.747 143 F HA 0.279 4.806 4.527 -0.000 0.000 0.305 143 F C 0.267 176.150 175.800 0.138 0.000 1.065 143 F CA -0.508 57.568 58.000 0.126 0.000 1.230 143 F CB 0.243 39.326 39.000 0.137 0.000 1.027 143 F HN -0.406 nan 8.300 nan 0.000 0.607 144 K N 2.277 122.882 120.400 0.341 0.000 2.267 144 K HA 0.136 4.456 4.320 -0.000 0.000 0.282 144 K C -0.141 176.634 176.600 0.292 0.000 1.078 144 K CA 0.002 56.450 56.287 0.269 0.000 0.903 144 K CB 1.149 33.809 32.500 0.267 0.000 1.111 144 K HN 0.024 nan 8.250 nan 0.000 0.475 145 D N 1.827 122.404 120.400 0.295 0.000 2.123 145 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 145 D C 1.482 177.879 176.300 0.161 0.000 0.992 145 D CA 1.412 55.646 54.000 0.390 0.000 0.833 145 D CB 0.364 41.389 40.800 0.376 0.000 0.954 145 D HN 0.513 nan 8.370 nan 0.000 0.455 146 E N 0.074 120.306 120.200 0.054 0.000 2.077 146 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 146 E C 2.112 178.750 176.600 0.063 0.000 0.989 146 E CA 0.524 56.903 56.400 -0.035 0.000 0.800 146 E CB -0.238 29.459 29.700 -0.005 0.000 0.746 146 E HN 0.268 nan 8.360 nan 0.000 0.452 147 L N -0.681 120.629 121.223 0.145 0.000 2.141 147 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 147 L C 2.149 179.179 176.870 0.267 0.000 1.094 147 L CA 0.890 55.847 54.840 0.194 0.000 0.763 147 L CB -0.414 41.769 42.059 0.207 0.000 0.908 147 L HN 0.361 nan 8.230 nan 0.000 0.437 148 W N 1.326 122.671 121.300 0.075 0.000 2.379 148 W HA -0.176 4.484 4.660 -0.000 0.000 0.307 148 W C 2.645 179.197 176.519 0.055 0.000 1.200 148 W CA 1.251 58.641 57.345 0.074 0.000 1.297 148 W CB -0.522 29.011 29.460 0.121 0.000 1.140 148 W HN -0.048 nan 8.180 nan 0.000 0.507 149 R N -0.027 120.372 120.500 -0.168 0.000 2.083 149 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 149 R C 2.361 178.723 176.300 0.103 0.000 1.137 149 R CA 2.542 58.383 56.100 -0.432 0.000 0.951 149 R CB -0.655 29.056 30.300 -0.981 0.000 0.851 149 R HN 0.273 nan 8.270 nan 0.000 0.434 150 I N 0.326 121.053 120.570 0.260 0.000 2.133 150 I HA -0.296 3.874 4.170 -0.000 0.000 0.238 150 I C 2.392 178.635 176.117 0.211 0.000 1.074 150 I CA 1.449 62.922 61.300 0.289 0.000 1.342 150 I CB -0.324 37.812 38.000 0.227 0.000 1.053 150 I HN 0.234 nan 8.210 nan 0.000 0.404 151 Q N 0.212 120.147 119.800 0.225 0.000 2.170 151 Q HA -0.242 4.098 4.340 -0.000 0.000 0.203 151 Q C 2.205 178.357 176.000 0.253 0.000 0.976 151 Q CA 1.346 57.297 55.803 0.248 0.000 0.858 151 Q CB -0.207 28.690 28.738 0.266 0.000 0.907 151 Q HN 0.446 nan 8.270 nan 0.000 0.433 152 E N 1.184 121.530 120.200 0.242 0.000 2.077 152 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 152 E C 1.697 178.441 176.600 0.240 0.000 0.989 152 E CA 0.960 57.504 56.400 0.239 0.000 0.800 152 E CB 0.203 30.036 29.700 0.221 0.000 0.746 152 E HN 0.147 nan 8.360 nan 0.000 0.452 153 K N 0.468 120.994 120.400 0.211 0.000 2.097 153 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 153 K C 2.384 179.103 176.600 0.198 0.000 1.049 153 K CA 0.678 57.078 56.287 0.187 0.000 0.933 153 K CB -0.301 32.282 32.500 0.139 0.000 0.717 153 K HN 0.272 nan 8.250 nan 0.000 0.442 154 L N 0.755 122.116 121.223 0.230 0.000 2.141 154 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 154 L C 2.215 179.354 176.870 0.448 0.000 1.094 154 L CA 1.059 56.097 54.840 0.330 0.000 0.763 154 L CB -0.328 41.947 42.059 0.361 0.000 0.908 154 L HN 0.212 nan 8.230 nan 0.000 0.437 155 E N -0.461 119.981 120.200 0.404 0.000 2.077 155 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 155 E C 2.347 179.210 176.600 0.439 0.000 0.989 155 E CA 1.528 58.216 56.400 0.480 0.000 0.800 155 E CB -0.170 29.813 29.700 0.471 0.000 0.746 155 E HN 0.544 nan 8.360 nan 0.000 0.452 156 C N 0.346 119.841 119.300 0.325 0.000 2.432 156 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 156 C C 2.528 177.609 174.990 0.151 0.000 1.249 156 C CA 0.565 59.734 59.018 0.251 0.000 1.725 156 C CB -0.983 26.913 27.740 0.261 0.000 2.028 156 C HN 0.476 nan 8.230 nan 0.000 0.477 157 Y N 0.269 120.548 120.300 -0.035 0.000 2.181 157 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 157 Y C 2.034 177.673 175.900 -0.435 0.000 1.146 157 Y CA 1.754 59.675 58.100 -0.298 0.000 1.164 157 Y CB -0.387 37.788 38.460 -0.476 0.000 0.982 157 Y HN 0.300 nan 8.280 nan 0.000 0.515 158 F N -0.722 119.231 119.950 0.006 0.000 2.473 158 F HA 0.245 4.772 4.527 -0.000 0.000 0.294 158 F C 2.032 177.790 175.800 -0.070 0.000 1.103 158 F CA 0.909 58.903 58.000 -0.011 0.000 1.442 158 F CB -0.504 38.627 39.000 0.217 0.000 1.097 158 F HN 0.056 nan 8.300 nan 0.000 0.547 159 G N 0.907 109.700 108.800 -0.013 0.000 2.246 159 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.273 159 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.273 159 G C 0.103 174.455 174.900 -0.913 0.000 1.055 159 G CA 0.452 45.284 45.100 -0.446 0.000 0.851 159 G HN 0.490 nan 8.290 nan 0.000 0.500 160 S N -1.352 114.060 115.700 -0.480 0.000 2.541 160 S HA 0.687 5.157 4.470 -0.000 0.000 0.271 160 S C 0.261 175.029 174.600 0.281 0.000 1.133 160 S CA -0.860 57.203 58.200 -0.228 0.000 0.876 160 S CB 1.005 64.188 63.200 -0.029 0.000 1.105 160 S HN 0.710 nan 8.310 nan 0.000 0.470 161 L N 2.879 124.342 121.223 0.399 0.000 2.485 161 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 161 L C -0.597 176.491 176.870 0.363 0.000 1.207 161 L CA -0.220 54.895 54.840 0.459 0.000 0.855 161 L CB 0.541 42.790 42.059 0.316 0.000 1.114 161 L HN 0.375 nan 8.230 nan 0.000 0.485 162 V N 2.887 123.050 119.914 0.415 0.000 2.357 162 V HA 0.477 4.597 4.120 -0.000 0.000 0.281 162 V C 0.545 176.875 176.094 0.393 0.000 1.015 162 V CA -0.469 62.052 62.300 0.369 0.000 0.827 162 V CB 1.121 33.169 31.823 0.375 0.000 1.018 162 V HN 0.908 nan 8.190 nan 0.000 0.432 163 G N 2.949 111.911 108.800 0.270 0.000 2.521 163 G HA2 0.827 4.787 3.960 -0.000 0.000 0.323 163 G HA3 0.827 4.787 3.960 -0.000 0.000 0.323 163 G C -0.385 174.648 174.900 0.223 0.000 1.211 163 G CA -0.193 45.036 45.100 0.215 0.000 0.979 163 G HN 0.917 nan 8.290 nan 0.000 0.490 164 S N -0.693 115.126 115.700 0.199 0.000 2.570 164 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 164 S C -1.355 173.344 174.600 0.163 0.000 1.149 164 S CA -1.075 57.243 58.200 0.197 0.000 0.837 164 S CB 2.210 65.530 63.200 0.200 0.000 1.124 164 S HN 0.556 nan 8.310 nan 0.000 0.465 165 N N 0.491 119.282 118.700 0.151 0.000 2.260 165 N HA 0.479 5.219 4.740 -0.000 0.000 0.293 165 N C -1.521 173.950 175.510 -0.066 0.000 1.058 165 N CA -0.439 52.627 53.050 0.026 0.000 0.824 165 N CB 2.295 40.773 38.487 -0.015 0.000 1.551 165 N HN 0.531 nan 8.380 nan 0.000 0.475 166 V N 2.626 122.394 119.914 -0.244 0.000 2.439 166 V HA 0.378 4.498 4.120 -0.000 0.000 0.282 166 V C -0.897 174.947 176.094 -0.417 0.000 1.039 166 V CA -0.341 61.763 62.300 -0.327 0.000 0.913 166 V CB 0.359 31.752 31.823 -0.717 0.000 0.983 166 V HN 0.510 nan 8.190 nan 0.000 0.460 167 Y N 4.733 124.846 120.300 -0.310 0.000 2.328 167 Y HA 0.656 5.206 4.550 -0.000 0.000 0.336 167 Y C 0.005 175.824 175.900 -0.135 0.000 0.960 167 Y CA -0.552 57.397 58.100 -0.252 0.000 1.134 167 Y CB 1.666 39.885 38.460 -0.403 0.000 1.166 167 Y HN 0.441 nan 8.280 nan 0.000 0.464 168 I N 3.615 124.238 120.570 0.089 0.000 2.418 168 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 168 I C -0.758 175.436 176.117 0.129 0.000 1.008 168 I CA -0.365 61.011 61.300 0.126 0.000 1.104 168 I CB 1.846 39.886 38.000 0.067 0.000 1.264 168 I HN 0.548 nan 8.210 nan 0.000 0.438 169 T N 6.859 121.516 114.554 0.171 0.000 2.841 169 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 169 T C -2.656 172.136 174.700 0.153 0.000 0.991 169 T CA -1.399 60.783 62.100 0.137 0.000 0.966 169 T CB 1.923 70.868 68.868 0.128 0.000 0.962 169 T HN 0.270 nan 8.240 nan 0.000 0.438 170 P HA 0.322 nan 4.420 nan 0.000 0.274 170 P C -0.393 176.970 177.300 0.105 0.000 1.231 170 P CA -0.515 62.657 63.100 0.119 0.000 0.790 170 P CB 0.414 32.154 31.700 0.066 0.000 0.951 171 A N 1.775 124.660 122.820 0.108 0.000 2.584 171 A HA 0.349 4.669 4.320 -0.000 0.000 0.239 171 A C 1.527 179.144 177.584 0.055 0.000 1.043 171 A CA 0.954 53.037 52.037 0.076 0.000 0.756 171 A CB -1.676 17.365 19.000 0.067 0.000 0.963 171 A HN 0.926 nan 8.150 nan 0.000 0.511 172 G N 1.672 110.499 108.800 0.045 0.000 2.176 172 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 172 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 172 G C 0.399 175.318 174.900 0.032 0.000 0.979 172 G CA 0.398 45.518 45.100 0.034 0.000 0.641 172 G HN 1.218 nan 8.290 nan 0.000 0.530 173 S N -0.002 115.721 115.700 0.038 0.000 2.525 173 S HA 0.604 5.074 4.470 -0.000 0.000 0.290 173 S C 0.114 174.728 174.600 0.024 0.000 1.152 173 S CA -0.409 57.810 58.200 0.032 0.000 1.072 173 S CB 1.782 65.005 63.200 0.039 0.000 1.027 173 S HN 0.638 nan 8.310 nan 0.000 0.500 174 Q N 1.861 121.669 119.800 0.013 0.000 2.373 174 Q HA 0.508 4.847 4.340 -0.000 0.000 0.255 174 Q C 0.699 176.698 176.000 -0.001 0.000 0.980 174 Q CA 0.156 55.957 55.803 -0.004 0.000 0.882 174 Q CB 0.451 29.185 28.738 -0.006 0.000 1.249 174 Q HN 0.720 nan 8.270 nan 0.000 0.438 175 G N 2.394 111.179 108.800 -0.025 0.000 2.735 175 G HA2 0.278 4.238 3.960 -0.000 0.000 0.192 175 G HA3 0.278 4.238 3.960 -0.000 0.000 0.192 175 G C -0.778 174.128 174.900 0.010 0.000 1.547 175 G CA -0.604 44.494 45.100 -0.003 0.000 1.080 175 G HN 0.542 nan 8.290 nan 0.000 0.569 176 L N 2.115 123.354 121.223 0.027 0.000 2.452 176 L HA 0.306 4.646 4.340 -0.000 0.000 0.267 176 L C -1.469 175.417 176.870 0.028 0.000 1.188 176 L CA -1.117 53.738 54.840 0.026 0.000 0.821 176 L CB 0.489 42.553 42.059 0.008 0.000 1.102 176 L HN 0.274 nan 8.230 nan 0.000 0.470 177 P HA 0.188 nan 4.420 nan 0.000 0.273 177 P C -2.674 174.654 177.300 0.047 0.000 1.250 177 P CA -1.550 61.552 63.100 0.003 0.000 0.793 177 P CB -0.486 31.202 31.700 -0.020 0.000 1.011 178 P HA 0.017 nan 4.420 nan 0.000 0.264 178 P C -0.231 176.992 177.300 -0.127 0.000 1.183 178 P CA 1.180 64.184 63.100 -0.160 0.000 0.763 178 P CB -0.100 31.423 31.700 -0.294 0.000 0.807 179 H N 0.881 119.734 119.070 -0.363 0.000 2.932 179 H HA 0.451 5.007 4.556 -0.000 0.000 0.307 179 H C -1.454 173.650 175.328 -0.373 0.000 1.391 179 H CA -0.849 54.934 56.048 -0.442 0.000 1.130 179 H CB 0.515 30.028 29.762 -0.414 0.000 1.836 179 H HN 0.428 nan 8.280 nan 0.000 0.522 180 Y N -0.342 119.804 120.300 -0.256 0.000 2.536 180 Y HA 0.667 5.217 4.550 -0.000 0.000 0.347 180 Y C -1.073 174.935 175.900 0.181 0.000 1.000 180 Y CA -1.077 56.991 58.100 -0.054 0.000 1.051 180 Y CB 1.516 39.954 38.460 -0.036 0.000 1.259 180 Y HN 0.495 nan 8.280 nan 0.000 0.468 181 D N 0.895 121.647 120.400 0.588 0.000 2.449 181 D HA 0.137 4.777 4.640 -0.000 0.000 0.250 181 D C -0.493 176.067 176.300 0.433 0.000 1.050 181 D CA -0.286 54.054 54.000 0.566 0.000 1.024 181 D CB 1.716 42.864 40.800 0.579 0.000 1.218 181 D HN 0.818 nan 8.370 nan 0.000 0.566 182 D N -1.318 119.289 120.400 0.344 0.000 2.388 182 D HA 0.095 4.735 4.640 -0.000 0.000 0.221 182 D C 0.306 176.719 176.300 0.189 0.000 1.133 182 D CA -0.176 53.972 54.000 0.246 0.000 0.831 182 D CB 0.030 40.960 40.800 0.217 0.000 0.962 182 D HN 0.121 nan 8.370 nan 0.000 0.502 183 V N -3.560 116.470 119.914 0.193 0.000 3.040 183 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 183 V C -0.344 175.803 176.094 0.088 0.000 1.115 183 V CA -1.148 61.245 62.300 0.155 0.000 0.998 183 V CB 2.353 34.278 31.823 0.170 0.000 1.042 183 V HN -0.211 nan 8.190 nan 0.000 0.433 184 E N 2.148 122.382 120.200 0.056 0.000 2.259 184 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 184 E C -0.241 176.330 176.600 -0.050 0.000 1.037 184 E CA -0.086 56.279 56.400 -0.058 0.000 0.854 184 E CB 1.754 31.399 29.700 -0.091 0.000 1.051 184 E HN 0.983 nan 8.360 nan 0.000 0.409 185 V N 0.358 120.072 119.914 -0.335 0.000 2.715 185 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 185 V C -0.739 175.023 176.094 -0.553 0.000 1.054 185 V CA -0.924 61.163 62.300 -0.355 0.000 0.928 185 V CB 1.239 32.776 31.823 -0.477 0.000 1.007 185 V HN 0.415 nan 8.190 nan 0.000 0.437 186 F N 3.898 123.845 119.950 -0.004 0.000 2.500 186 F HA 0.647 5.174 4.527 -0.000 0.000 0.349 186 F C -0.109 175.666 175.800 -0.041 0.000 1.127 186 F CA -0.477 57.541 58.000 0.030 0.000 0.998 186 F CB 1.504 40.583 39.000 0.132 0.000 1.237 186 F HN 0.344 nan 8.300 nan 0.000 0.439 187 I N 4.563 125.106 120.570 -0.045 0.000 2.325 187 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 187 I C -0.857 175.282 176.117 0.036 0.000 1.019 187 I CA -0.402 60.871 61.300 -0.044 0.000 1.302 187 I CB 0.887 38.688 38.000 -0.332 0.000 1.401 187 I HN 0.327 nan 8.210 nan 0.000 0.485 188 L N 6.562 127.851 121.223 0.110 0.000 2.298 188 L HA 0.375 4.715 4.340 -0.000 0.000 0.284 188 L C -0.112 176.894 176.870 0.225 0.000 1.013 188 L CA -0.457 54.443 54.840 0.100 0.000 0.824 188 L CB 1.413 43.329 42.059 -0.237 0.000 1.221 188 L HN 0.454 nan 8.230 nan 0.000 0.418 189 Q N 2.498 122.490 119.800 0.320 0.000 2.307 189 Q HA 0.343 4.683 4.340 -0.000 0.000 0.259 189 Q C 0.037 176.255 176.000 0.363 0.000 0.998 189 Q CA 0.466 56.462 55.803 0.322 0.000 0.923 189 Q CB 0.868 29.755 28.738 0.248 0.000 1.196 189 Q HN 0.667 nan 8.270 nan 0.000 0.416 190 L N 2.107 123.507 121.223 0.294 0.000 2.362 190 L HA 0.366 4.706 4.340 -0.000 0.000 0.204 190 L C 0.062 177.042 176.870 0.184 0.000 1.060 190 L CA 0.344 55.333 54.840 0.249 0.000 0.827 190 L CB 0.236 42.421 42.059 0.210 0.000 1.027 190 L HN 0.530 nan 8.230 nan 0.000 0.474 191 E N -0.258 120.035 120.200 0.155 0.000 2.308 191 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 191 E C -0.344 176.259 176.600 0.004 0.000 0.890 191 E CA -0.190 56.242 56.400 0.053 0.000 0.754 191 E CB 2.439 32.150 29.700 0.019 0.000 1.207 191 E HN 0.171 nan 8.360 nan 0.000 0.426 192 G N 2.493 111.271 108.800 -0.037 0.000 2.697 192 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 192 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 192 G C -0.584 174.351 174.900 0.059 0.000 1.346 192 G CA -0.328 44.753 45.100 -0.031 0.000 0.887 192 G HN 0.565 nan 8.290 nan 0.000 0.569 193 E N -0.234 120.010 120.200 0.072 0.000 2.244 193 E HA 0.668 5.018 4.350 -0.000 0.000 0.266 193 E C -0.184 176.510 176.600 0.156 0.000 0.914 193 E CA -0.811 55.663 56.400 0.123 0.000 0.794 193 E CB 2.202 31.959 29.700 0.095 0.000 1.210 193 E HN 0.561 nan 8.360 nan 0.000 0.414 194 K N 1.023 121.555 120.400 0.221 0.000 2.501 194 K HA 0.172 4.492 4.320 -0.000 0.000 0.252 194 K C -1.576 175.164 176.600 0.233 0.000 0.934 194 K CA -0.608 55.798 56.287 0.198 0.000 0.797 194 K CB 1.540 34.182 32.500 0.236 0.000 1.270 194 K HN 0.590 nan 8.250 nan 0.000 0.431 195 H N 4.207 123.257 119.070 -0.033 0.000 2.705 195 H HA 0.153 4.709 4.556 -0.000 0.000 0.291 195 H C -1.307 173.877 175.328 -0.240 0.000 1.085 195 H CA -0.537 55.467 56.048 -0.074 0.000 1.357 195 H CB 0.451 30.170 29.762 -0.072 0.000 1.419 195 H HN 0.445 nan 8.280 nan 0.000 0.462 196 W N 4.970 125.933 121.300 -0.561 0.000 2.496 196 W HA 0.454 5.114 4.660 -0.000 0.000 0.327 196 W C -0.080 175.868 176.519 -0.953 0.000 1.086 196 W CA -0.753 56.137 57.345 -0.758 0.000 1.222 196 W CB 1.122 30.054 29.460 -0.880 0.000 1.304 196 W HN 0.466 nan 8.180 nan 0.000 0.547 197 R N 3.035 123.264 120.500 -0.450 0.000 2.502 197 R HA 0.554 4.894 4.340 -0.000 0.000 0.300 197 R C -1.164 174.934 176.300 -0.336 0.000 0.984 197 R CA -0.845 54.973 56.100 -0.470 0.000 0.882 197 R CB 1.402 31.450 30.300 -0.419 0.000 1.180 197 R HN 0.386 nan 8.270 nan 0.000 0.444 198 L N 3.873 124.845 121.223 -0.419 0.000 2.329 198 L HA 0.586 4.926 4.340 -0.000 0.000 0.279 198 L C -0.877 175.731 176.870 -0.436 0.000 1.014 198 L CA -0.915 53.778 54.840 -0.246 0.000 0.814 198 L CB 1.149 43.146 42.059 -0.103 0.000 1.257 198 L HN 0.532 nan 8.230 nan 0.000 0.424 199 Y N -0.168 120.055 120.300 -0.129 0.000 2.598 199 Y HA 0.434 4.984 4.550 -0.000 0.000 0.340 199 Y C 0.316 176.148 175.900 -0.114 0.000 1.038 199 Y CA -1.189 56.831 58.100 -0.133 0.000 1.100 199 Y CB 1.131 39.541 38.460 -0.083 0.000 1.281 199 Y HN 0.386 nan 8.280 nan 0.000 0.488 200 H N 1.652 120.794 119.070 0.120 0.000 2.928 200 H HA 0.096 4.652 4.556 -0.000 0.000 0.338 200 H C -2.294 173.042 175.328 0.014 0.000 1.047 200 H CA -1.702 54.370 56.048 0.040 0.000 1.435 200 H CB 0.499 30.278 29.762 0.029 0.000 1.428 200 H HN 0.262 nan 8.280 nan 0.000 0.590 201 P HA -0.013 nan 4.420 nan 0.000 0.271 201 P C 0.903 178.174 177.300 -0.047 0.000 1.216 201 P CA -0.020 63.060 63.100 -0.033 0.000 0.776 201 P CB 0.680 32.325 31.700 -0.092 0.000 0.881 202 T N -1.442 113.055 114.554 -0.095 0.000 3.009 202 T HA 0.064 4.414 4.350 -0.000 0.000 0.258 202 T C 0.588 175.211 174.700 -0.128 0.000 1.063 202 T CA 0.483 62.542 62.100 -0.069 0.000 1.139 202 T CB -0.146 68.717 68.868 -0.008 0.000 0.890 202 T HN 0.149 nan 8.240 nan 0.000 0.471 203 V N 3.418 123.167 119.914 -0.276 0.000 2.320 203 V HA 0.396 4.516 4.120 -0.000 0.000 0.268 203 V C -2.842 173.085 176.094 -0.277 0.000 1.021 203 V CA -2.301 59.834 62.300 -0.274 0.000 0.813 203 V CB 0.861 32.492 31.823 -0.321 0.000 1.054 203 V HN 0.174 nan 8.190 nan 0.000 0.444 204 P HA 0.245 nan 4.420 nan 0.000 0.267 204 P C 0.571 177.813 177.300 -0.097 0.000 1.205 204 P CA 0.130 63.160 63.100 -0.117 0.000 0.765 204 P CB 0.397 32.055 31.700 -0.071 0.000 0.828 205 L N -0.685 120.486 121.223 -0.086 0.000 3.634 205 L HA -0.271 4.069 4.340 -0.000 0.000 0.423 205 L C 0.569 177.421 176.870 -0.030 0.000 1.253 205 L CA -0.013 54.800 54.840 -0.046 0.000 0.885 205 L CB -2.085 39.964 42.059 -0.016 0.000 1.789 205 L HN 0.480 nan 8.230 nan 0.000 0.904 206 A N 0.316 123.088 122.820 -0.079 0.000 2.587 206 A HA 0.128 4.448 4.320 -0.000 0.000 0.233 206 A C 1.357 178.991 177.584 0.083 0.000 1.049 206 A CA 0.824 52.842 52.037 -0.033 0.000 0.754 206 A CB 0.103 19.035 19.000 -0.114 0.000 0.977 206 A HN 0.567 nan 8.150 nan 0.000 0.509 207 R N 0.159 120.723 120.500 0.108 0.000 2.312 207 R HA 0.182 4.522 4.340 -0.000 0.000 0.205 207 R C -0.012 176.378 176.300 0.149 0.000 0.904 207 R CA 0.362 56.532 56.100 0.115 0.000 1.052 207 R CB 0.491 30.845 30.300 0.091 0.000 1.014 207 R HN 0.686 nan 8.270 nan 0.000 0.503 208 E N -0.784 119.540 120.200 0.206 0.000 2.416 208 E HA 0.188 4.538 4.350 -0.000 0.000 0.273 208 E C -1.955 174.825 176.600 0.300 0.000 0.935 208 E CA -1.058 55.476 56.400 0.224 0.000 0.784 208 E CB 2.073 31.876 29.700 0.172 0.000 1.301 208 E HN 0.210 nan 8.360 nan 0.000 0.454 209 Y N 0.927 121.293 120.300 0.110 0.000 2.304 209 Y HA 0.599 5.149 4.550 -0.000 0.000 0.327 209 Y C 0.076 175.866 175.900 -0.184 0.000 1.209 209 Y CA 0.282 58.395 58.100 0.022 0.000 1.299 209 Y CB 1.189 39.671 38.460 0.037 0.000 1.249 209 Y HN 0.441 nan 8.280 nan 0.000 0.519 210 S N 4.512 119.324 115.700 -1.480 0.000 2.542 210 S HA 0.508 4.978 4.470 -0.000 0.000 0.276 210 S C -1.422 172.458 174.600 -1.200 0.000 1.148 210 S CA -0.538 56.927 58.200 -1.226 0.000 0.886 210 S CB 0.339 63.000 63.200 -0.899 0.000 1.109 210 S HN 1.125 nan 8.310 nan 0.000 0.458 211 V N 1.608 121.118 119.914 -0.674 0.000 2.953 211 V HA 0.791 4.911 4.120 -0.000 0.000 0.304 211 V C -0.323 175.595 176.094 -0.294 0.000 1.073 211 V CA -0.119 61.957 62.300 -0.373 0.000 1.064 211 V CB 1.353 33.072 31.823 -0.172 0.000 1.047 211 V HN 0.824 nan 8.190 nan 0.000 0.478 212 E N 1.686 121.760 120.200 -0.210 0.000 2.272 212 E HA 0.628 4.978 4.350 -0.000 0.000 0.269 212 E C -0.357 176.160 176.600 -0.138 0.000 0.877 212 E CA -0.586 55.726 56.400 -0.146 0.000 0.755 212 E CB 2.093 31.728 29.700 -0.109 0.000 1.192 212 E HN 1.152 nan 8.360 nan 0.000 0.422 213 A N 2.723 125.480 122.820 -0.105 0.000 2.477 213 A HA 0.067 4.387 4.320 -0.000 0.000 0.246 213 A C 1.217 178.729 177.584 -0.121 0.000 1.078 213 A CA 0.028 52.008 52.037 -0.095 0.000 0.770 213 A CB 0.222 19.183 19.000 -0.065 0.000 1.011 213 A HN 0.650 nan 8.150 nan 0.000 0.494 214 E N 1.193 121.318 120.200 -0.124 0.000 2.233 214 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 214 E C 1.183 177.722 176.600 -0.101 0.000 1.004 214 E CA 1.550 57.865 56.400 -0.141 0.000 0.819 214 E CB 0.143 29.784 29.700 -0.099 0.000 0.738 214 E HN 0.902 nan 8.360 nan 0.000 0.478 215 E N 0.256 120.416 120.200 -0.067 0.000 2.476 215 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 215 E C 1.447 178.025 176.600 -0.037 0.000 1.064 215 E CA 0.204 56.580 56.400 -0.041 0.000 0.866 215 E CB 0.166 29.849 29.700 -0.028 0.000 0.952 215 E HN 0.105 nan 8.360 nan 0.000 0.492 216 R N 0.554 121.021 120.500 -0.056 0.000 2.419 216 R HA 0.266 4.606 4.340 -0.000 0.000 0.235 216 R C 2.199 178.474 176.300 -0.043 0.000 0.899 216 R CA 0.247 56.323 56.100 -0.040 0.000 1.048 216 R CB 0.340 30.616 30.300 -0.040 0.000 1.182 216 R HN 0.271 nan 8.270 nan 0.000 0.544 217 I N -3.036 117.478 120.570 -0.093 0.000 3.427 217 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 217 I C 0.925 177.059 176.117 0.027 0.000 1.249 217 I CA 0.513 61.740 61.300 -0.122 0.000 1.421 217 I CB 0.083 37.823 38.000 -0.434 0.000 1.086 217 I HN 0.098 nan 8.210 nan 0.000 0.448 218 G N 2.061 110.889 108.800 0.045 0.000 2.598 218 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 218 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 218 G C -0.278 174.745 174.900 0.207 0.000 1.302 218 G CA -0.157 45.012 45.100 0.115 0.000 0.903 218 G HN 0.528 nan 8.290 nan 0.000 0.575 219 R N 0.962 121.566 120.500 0.174 0.000 2.500 219 R HA 0.481 4.821 4.340 -0.000 0.000 0.275 219 R C -2.144 174.182 176.300 0.044 0.000 1.051 219 R CA -1.265 54.917 56.100 0.137 0.000 1.088 219 R CB 0.672 31.008 30.300 0.060 0.000 1.063 219 R HN 0.360 nan 8.270 nan 0.000 0.511 220 P HA -0.039 nan 4.420 nan 0.000 0.269 220 P C 0.184 177.290 177.300 -0.324 0.000 1.215 220 P CA -0.011 62.710 63.100 -0.632 0.000 0.780 220 P CB 0.644 31.980 31.700 -0.608 0.000 0.898 221 V N 0.483 120.187 119.914 -0.351 0.000 2.795 221 V HA 0.036 4.156 4.120 -0.000 0.000 0.243 221 V C 0.838 176.901 176.094 -0.052 0.000 1.069 221 V CA 1.134 63.285 62.300 -0.247 0.000 1.089 221 V CB -0.681 30.873 31.823 -0.447 0.000 0.756 221 V HN 0.614 nan 8.190 nan 0.000 0.471 222 H N -0.171 118.797 119.070 -0.169 0.000 2.771 222 H HA 0.522 5.078 4.556 -0.000 0.000 0.361 222 H C -1.166 174.111 175.328 -0.086 0.000 1.108 222 H CA -0.532 55.509 56.048 -0.013 0.000 1.201 222 H CB 2.069 31.919 29.762 0.147 0.000 1.681 222 H HN 0.299 nan 8.280 nan 0.000 0.534 223 E N 5.198 125.340 120.200 -0.097 0.000 2.275 223 E HA 0.350 4.700 4.350 -0.000 0.000 0.270 223 E C -1.664 174.812 176.600 -0.208 0.000 0.882 223 E CA -0.658 55.565 56.400 -0.295 0.000 0.758 223 E CB 1.603 31.247 29.700 -0.093 0.000 1.195 223 E HN 0.407 nan 8.360 nan 0.000 0.419 224 F N 1.057 120.959 119.950 -0.080 0.000 2.817 224 F HA 0.570 5.097 4.527 -0.000 0.000 0.317 224 F C -1.458 174.438 175.800 0.161 0.000 1.168 224 F CA -1.330 56.655 58.000 -0.024 0.000 0.911 224 F CB 1.006 39.884 39.000 -0.204 0.000 1.337 224 F HN 0.332 nan 8.300 nan 0.000 0.464 225 M N 2.748 122.568 119.600 0.367 0.000 2.125 225 M HA 0.555 5.035 4.480 -0.000 0.000 0.321 225 M C -1.783 174.716 176.300 0.331 0.000 0.983 225 M CA -0.527 54.959 55.300 0.310 0.000 0.934 225 M CB 1.269 33.975 32.600 0.177 0.000 1.542 225 M HN 0.643 nan 8.290 nan 0.000 0.424 226 L N 5.564 127.015 121.223 0.380 0.000 2.350 226 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 226 L C -0.097 176.890 176.870 0.194 0.000 1.099 226 L CA -0.445 54.558 54.840 0.271 0.000 0.808 226 L CB 0.956 43.191 42.059 0.292 0.000 1.149 226 L HN 0.710 nan 8.230 nan 0.000 0.442 227 K N 2.800 123.277 120.400 0.129 0.000 2.433 227 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 227 K C -2.897 173.756 176.600 0.089 0.000 1.015 227 K CA -2.226 54.121 56.287 0.100 0.000 0.860 227 K CB 1.704 34.243 32.500 0.065 0.000 1.359 227 K HN 0.086 nan 8.250 nan 0.000 0.452 228 P HA 0.030 nan 4.420 nan 0.000 0.264 228 P C 0.362 177.649 177.300 -0.021 0.000 1.193 228 P CA 1.246 64.400 63.100 0.090 0.000 0.763 228 P CB 0.578 32.328 31.700 0.083 0.000 0.810 229 G N 1.686 110.408 108.800 -0.130 0.000 2.179 229 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 229 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 229 G C -0.224 174.430 174.900 -0.410 0.000 0.990 229 G CA -0.409 44.334 45.100 -0.596 0.000 0.646 229 G HN 0.491 nan 8.290 nan 0.000 0.517 230 D N 0.139 120.496 120.400 -0.072 0.000 2.210 230 D HA 0.645 5.285 4.640 -0.000 0.000 0.249 230 D C 0.204 176.579 176.300 0.125 0.000 1.062 230 D CA -0.135 53.864 54.000 -0.003 0.000 0.891 230 D CB 2.083 42.885 40.800 0.003 0.000 1.186 230 D HN 0.357 nan 8.370 nan 0.000 0.432 231 L N 2.014 123.265 121.223 0.048 0.000 2.362 231 L HA 0.597 4.937 4.340 -0.000 0.000 0.271 231 L C -1.732 175.088 176.870 -0.084 0.000 1.002 231 L CA -0.956 53.920 54.840 0.060 0.000 0.818 231 L CB 1.698 43.821 42.059 0.108 0.000 1.298 231 L HN 0.221 nan 8.230 nan 0.000 0.420 232 L N 4.600 125.743 121.223 -0.133 0.000 2.406 232 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 232 L C -1.723 175.012 176.870 -0.226 0.000 0.980 232 L CA -0.209 54.485 54.840 -0.244 0.000 0.831 232 L CB 1.534 43.337 42.059 -0.426 0.000 1.253 232 L HN 0.585 nan 8.230 nan 0.000 0.406 233 Y N 6.396 126.556 120.300 -0.233 0.000 2.387 233 Y HA 0.790 5.340 4.550 -0.000 0.000 0.336 233 Y C -1.453 174.351 175.900 -0.161 0.000 1.067 233 Y CA -1.132 56.773 58.100 -0.325 0.000 1.114 233 Y CB 1.385 39.770 38.460 -0.126 0.000 1.208 233 Y HN 0.548 nan 8.280 nan 0.000 0.458 234 F N 5.430 124.541 119.950 -1.398 0.000 2.628 234 F HA 0.778 5.305 4.527 -0.000 0.000 0.309 234 F C -3.320 171.825 175.800 -1.092 0.000 1.108 234 F CA -3.145 54.183 58.000 -1.120 0.000 0.971 234 F CB 0.996 39.695 39.000 -0.501 0.000 1.279 234 F HN 0.263 nan 8.300 nan 0.000 0.441 235 P HA 0.238 nan 4.420 nan 0.000 0.276 235 P C -0.747 176.531 177.300 -0.037 0.000 1.252 235 P CA -0.567 62.389 63.100 -0.239 0.000 0.802 235 P CB 0.840 32.455 31.700 -0.142 0.000 1.035 236 R N 0.084 120.564 120.500 -0.033 0.000 2.623 236 R HA 0.346 4.686 4.340 -0.000 0.000 0.271 236 R C 0.846 177.163 176.300 0.027 0.000 1.043 236 R CA 0.383 56.525 56.100 0.069 0.000 1.083 236 R CB -1.098 29.247 30.300 0.076 0.000 0.974 236 R HN 0.784 nan 8.270 nan 0.000 0.436 237 G N 1.670 110.505 108.800 0.059 0.000 2.213 237 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 237 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 237 G C -0.024 174.813 174.900 -0.105 0.000 0.991 237 G CA 0.194 45.185 45.100 -0.183 0.000 0.629 237 G HN 0.693 nan 8.290 nan 0.000 0.517 238 T N 2.232 116.795 114.554 0.015 0.000 2.769 238 T HA 0.477 4.827 4.350 -0.000 0.000 0.293 238 T C 0.940 175.659 174.700 0.032 0.000 0.931 238 T CA 0.144 62.205 62.100 -0.066 0.000 1.139 238 T CB 0.781 69.475 68.868 -0.289 0.000 0.881 238 T HN 0.345 nan 8.240 nan 0.000 0.532 239 I N 6.279 126.872 120.570 0.039 0.000 2.496 239 I HA 0.241 4.411 4.170 -0.000 0.000 0.285 239 I C 0.919 177.071 176.117 0.059 0.000 1.080 239 I CA -0.215 61.102 61.300 0.028 0.000 1.404 239 I CB 0.228 38.241 38.000 0.021 0.000 1.403 239 I HN 0.732 nan 8.210 nan 0.000 0.539 240 H N 5.190 124.157 119.070 -0.173 0.000 3.008 240 H HA 0.645 5.201 4.556 -0.000 0.000 0.354 240 H C -1.578 173.674 175.328 -0.126 0.000 1.252 240 H CA -1.128 54.859 56.048 -0.103 0.000 1.117 240 H CB 2.004 31.655 29.762 -0.184 0.000 1.857 240 H HN 0.629 nan 8.280 nan 0.000 0.547 241 Q N 1.618 121.426 119.800 0.015 0.000 2.438 241 Q HA 0.700 5.040 4.340 -0.000 0.000 0.272 241 Q C -2.339 173.440 176.000 -0.367 0.000 0.994 241 Q CA -0.911 54.806 55.803 -0.143 0.000 0.887 241 Q CB 2.499 31.194 28.738 -0.072 0.000 1.432 241 Q HN 0.978 nan 8.270 nan 0.000 0.392 242 A N 2.598 125.099 122.820 -0.532 0.000 2.498 242 A HA 0.843 5.163 4.320 -0.000 0.000 0.298 242 A C -1.784 175.564 177.584 -0.393 0.000 1.075 242 A CA -0.173 51.397 52.037 -0.779 0.000 0.714 242 A CB 1.780 19.818 19.000 -1.603 0.000 1.299 242 A HN 0.894 nan 8.150 nan 0.000 0.407 243 D N 0.439 120.670 120.400 -0.282 0.000 2.753 243 D HA 0.417 5.057 4.640 -0.000 0.000 0.224 243 D C -1.201 175.089 176.300 -0.016 0.000 1.213 243 D CA -0.290 53.653 54.000 -0.094 0.000 0.833 243 D CB 1.574 42.355 40.800 -0.032 0.000 1.607 243 D HN 0.275 nan 8.370 nan 0.000 0.463 244 T N 2.595 117.164 114.554 0.026 0.000 2.749 244 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 244 T C -2.209 172.524 174.700 0.055 0.000 0.936 244 T CA -0.950 61.185 62.100 0.059 0.000 1.060 244 T CB 1.118 70.035 68.868 0.081 0.000 0.904 244 T HN 0.288 nan 8.240 nan 0.000 0.500 245 P HA 0.146 nan 4.420 nan 0.000 0.267 245 P C -0.294 177.021 177.300 0.025 0.000 1.200 245 P CA -0.399 62.717 63.100 0.026 0.000 0.772 245 P CB 0.382 32.089 31.700 0.011 0.000 0.855 246 A N 2.276 125.104 122.820 0.014 0.000 2.531 246 A HA 0.505 4.825 4.320 -0.000 0.000 0.236 246 A C 0.968 178.561 177.584 0.016 0.000 1.062 246 A CA 1.155 53.201 52.037 0.016 0.000 0.760 246 A CB -0.905 18.101 19.000 0.009 0.000 0.995 246 A HN 0.864 nan 8.150 nan 0.000 0.501 247 G N -0.216 108.597 108.800 0.022 0.000 2.398 247 G HA2 0.257 4.217 3.960 -0.000 0.000 0.251 247 G HA3 0.257 4.217 3.960 -0.000 0.000 0.251 247 G C 0.082 175.000 174.900 0.030 0.000 1.277 247 G CA -0.154 44.959 45.100 0.021 0.000 0.927 247 G HN 0.731 nan 8.290 nan 0.000 0.477 248 L N 0.994 122.235 121.223 0.030 0.000 2.316 248 L HA 0.510 4.850 4.340 -0.000 0.000 0.207 248 L C 1.914 178.817 176.870 0.055 0.000 1.070 248 L CA 1.004 55.867 54.840 0.039 0.000 0.820 248 L CB -0.172 41.906 42.059 0.032 0.000 0.992 248 L HN 0.681 nan 8.230 nan 0.000 0.466 249 A N 0.933 123.774 122.820 0.035 0.000 2.409 249 A HA 0.207 4.526 4.320 -0.000 0.000 0.267 249 A C 0.061 177.657 177.584 0.020 0.000 1.127 249 A CA -0.431 51.608 52.037 0.003 0.000 0.795 249 A CB -0.442 18.534 19.000 -0.042 0.000 1.061 249 A HN 0.400 nan 8.150 nan 0.000 0.502 250 H N 0.973 120.076 119.070 0.055 0.000 2.597 250 H HA 0.511 5.067 4.556 -0.000 0.000 0.370 250 H C -0.244 175.140 175.328 0.093 0.000 1.281 250 H CA 0.210 56.298 56.048 0.066 0.000 1.422 250 H CB 0.837 30.633 29.762 0.057 0.000 1.524 250 H HN 0.474 nan 8.280 nan 0.000 0.607 251 S N 0.034 115.835 115.700 0.168 0.000 2.472 251 S HA 0.403 4.873 4.470 -0.000 0.000 0.303 251 S C -1.041 173.732 174.600 0.288 0.000 1.099 251 S CA -0.596 57.702 58.200 0.163 0.000 1.077 251 S CB 0.742 64.067 63.200 0.208 0.000 1.031 251 S HN 0.748 nan 8.310 nan 0.000 0.487 252 T N 5.533 120.243 114.554 0.261 0.000 2.879 252 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 252 T C -0.923 173.965 174.700 0.313 0.000 0.993 252 T CA -0.673 61.591 62.100 0.274 0.000 0.975 252 T CB 0.793 69.836 68.868 0.291 0.000 0.981 252 T HN 0.826 nan 8.240 nan 0.000 0.439 253 H N 0.160 119.386 119.070 0.260 0.000 2.928 253 H HA 0.795 5.351 4.556 -0.000 0.000 0.371 253 H C -1.834 173.639 175.328 0.240 0.000 1.186 253 H CA -0.991 55.211 56.048 0.256 0.000 1.134 253 H CB 1.622 31.573 29.762 0.315 0.000 1.824 253 H HN 0.454 nan 8.280 nan 0.000 0.554 254 V N 1.970 122.077 119.914 0.321 0.000 2.495 254 V HA 0.314 4.434 4.120 -0.000 0.000 0.298 254 V C -0.515 175.794 176.094 0.358 0.000 1.031 254 V CA -0.264 62.176 62.300 0.232 0.000 0.871 254 V CB 1.735 33.622 31.823 0.107 0.000 0.988 254 V HN 0.966 nan 8.190 nan 0.000 0.432 255 T N 8.566 123.358 114.554 0.397 0.000 2.910 255 T HA 0.497 4.847 4.350 -0.000 0.000 0.323 255 T C -0.021 174.843 174.700 0.274 0.000 1.091 255 T CA 0.028 62.341 62.100 0.356 0.000 0.960 255 T CB -0.087 69.067 68.868 0.478 0.000 1.024 255 T HN 0.511 nan 8.240 nan 0.000 0.509 256 I N 3.918 124.639 120.570 0.252 0.000 2.396 256 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 256 I C 0.723 177.023 176.117 0.305 0.000 1.056 256 I CA -0.207 61.257 61.300 0.273 0.000 1.365 256 I CB 0.580 38.742 38.000 0.270 0.000 1.407 256 I HN 0.560 nan 8.210 nan 0.000 0.509 257 S N 3.609 119.470 115.700 0.269 0.000 2.536 257 S HA 0.800 5.270 4.470 -0.000 0.000 0.298 257 S C -0.467 174.284 174.600 0.250 0.000 1.083 257 S CA -0.696 57.651 58.200 0.244 0.000 0.995 257 S CB 2.571 65.890 63.200 0.198 0.000 1.058 257 S HN 0.626 nan 8.310 nan 0.000 0.488 258 T N -0.349 114.354 114.554 0.248 0.000 2.731 258 T HA 0.529 4.879 4.350 -0.000 0.000 0.300 258 T C -1.578 173.321 174.700 0.331 0.000 1.283 258 T CA -0.377 61.883 62.100 0.268 0.000 1.005 258 T CB 0.185 69.178 68.868 0.208 0.000 1.420 258 T HN 0.901 nan 8.240 nan 0.000 0.503 259 Y N -0.182 120.185 120.300 0.113 0.000 3.929 259 Y HA -0.146 4.404 4.550 -0.000 0.000 0.225 259 Y C 0.504 176.449 175.900 0.074 0.000 1.200 259 Y CA 1.035 59.198 58.100 0.104 0.000 1.791 259 Y CB -1.460 37.083 38.460 0.138 0.000 1.561 259 Y HN 0.654 nan 8.280 nan 0.000 0.657 260 Q N 1.671 121.547 119.800 0.127 0.000 2.296 260 Q HA 0.210 4.550 4.340 -0.000 0.000 0.262 260 Q C 0.599 176.618 176.000 0.032 0.000 0.981 260 Q CA 0.165 56.022 55.803 0.090 0.000 0.905 260 Q CB 0.318 29.107 28.738 0.084 0.000 1.186 260 Q HN 0.400 nan 8.270 nan 0.000 0.399 261 N N 3.272 121.994 118.700 0.038 0.000 2.725 261 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 261 N C -1.139 174.351 175.510 -0.033 0.000 1.031 261 N CA 1.084 54.146 53.050 0.019 0.000 0.720 261 N CB -1.180 37.321 38.487 0.024 0.000 0.930 261 N HN 0.635 nan 8.380 nan 0.000 0.543 262 N N -0.306 118.340 118.700 -0.090 0.000 2.480 262 N HA 0.100 4.840 4.740 -0.000 0.000 0.281 262 N C -0.467 174.933 175.510 -0.184 0.000 1.381 262 N CA -0.131 52.771 53.050 -0.245 0.000 0.903 262 N CB 0.492 38.608 38.487 -0.619 0.000 1.274 262 N HN 0.377 nan 8.380 nan 0.000 0.505 263 S N -1.977 113.696 115.700 -0.046 0.000 2.730 263 S HA 0.279 4.749 4.470 -0.000 0.000 0.284 263 S C 1.098 175.707 174.600 0.016 0.000 1.153 263 S CA -0.723 57.485 58.200 0.014 0.000 0.995 263 S CB 0.663 63.925 63.200 0.104 0.000 1.058 263 S HN 0.346 nan 8.310 nan 0.000 0.552 264 W N 0.714 122.080 121.300 0.111 0.000 2.374 264 W HA 0.097 4.757 4.660 -0.000 0.000 0.288 264 W C 2.551 179.164 176.519 0.157 0.000 1.218 264 W CA 1.028 58.459 57.345 0.142 0.000 1.245 264 W CB -0.737 28.785 29.460 0.103 0.000 1.126 264 W HN 0.962 nan 8.180 nan 0.000 0.545 265 G N -0.154 108.836 108.800 0.317 0.000 2.418 265 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 265 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 265 G C 1.195 176.186 174.900 0.152 0.000 1.158 265 G CA 1.411 46.632 45.100 0.202 0.000 0.771 265 G HN 0.161 nan 8.290 nan 0.000 0.545 266 D N -0.113 120.367 120.400 0.132 0.000 2.144 266 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 266 D C 2.013 178.376 176.300 0.106 0.000 0.978 266 D CA 0.573 54.627 54.000 0.090 0.000 0.833 266 D CB -0.168 40.667 40.800 0.059 0.000 0.961 266 D HN 0.320 nan 8.370 nan 0.000 0.470 267 F N 1.686 121.632 119.950 -0.007 0.000 2.146 267 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 267 F C 2.095 177.928 175.800 0.055 0.000 1.096 267 F CA 0.570 58.559 58.000 -0.017 0.000 1.275 267 F CB -0.241 38.688 39.000 -0.117 0.000 1.008 267 F HN -0.138 nan 8.300 nan 0.000 0.480 268 L N 0.523 121.828 121.223 0.138 0.000 2.046 268 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 268 L C 1.924 178.760 176.870 -0.057 0.000 1.077 268 L CA 1.898 56.767 54.840 0.048 0.000 0.747 268 L CB -1.030 41.122 42.059 0.156 0.000 0.896 268 L HN 0.229 nan 8.230 nan 0.000 0.432 269 L N -0.552 120.658 121.223 -0.021 0.000 2.275 269 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 269 L C 1.974 178.794 176.870 -0.082 0.000 1.119 269 L CA 1.228 56.044 54.840 -0.040 0.000 0.790 269 L CB -0.556 41.501 42.059 -0.003 0.000 0.919 269 L HN 0.375 nan 8.230 nan 0.000 0.443 270 D N -0.791 119.531 120.400 -0.130 0.000 2.249 270 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 270 D C 2.007 178.176 176.300 -0.217 0.000 0.962 270 D CA 1.331 55.243 54.000 -0.147 0.000 0.860 270 D CB 0.374 41.090 40.800 -0.139 0.000 0.955 270 D HN 0.241 nan 8.370 nan 0.000 0.505 271 T N -2.232 112.125 114.554 -0.328 0.000 3.014 271 T HA 0.049 4.399 4.350 -0.000 0.000 0.250 271 T C 1.829 176.402 174.700 -0.212 0.000 1.060 271 T CA -0.203 61.711 62.100 -0.311 0.000 1.040 271 T CB -0.180 68.383 68.868 -0.508 0.000 0.971 271 T HN 0.014 nan 8.240 nan 0.000 0.497 272 I N 2.886 123.342 120.570 -0.190 0.000 2.264 272 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 272 I C 2.297 178.248 176.117 -0.277 0.000 1.111 272 I CA 0.892 62.085 61.300 -0.178 0.000 1.382 272 I CB -0.686 37.239 38.000 -0.126 0.000 1.060 272 I HN 0.229 nan 8.210 nan 0.000 0.418 273 S N 0.459 115.957 115.700 -0.337 0.000 2.356 273 S HA -0.121 4.348 4.470 -0.000 0.000 0.223 273 S C 2.099 176.183 174.600 -0.859 0.000 1.032 273 S CA 1.261 59.054 58.200 -0.679 0.000 1.005 273 S CB -1.209 61.743 63.200 -0.414 0.000 0.867 273 S HN 0.667 nan 8.310 nan 0.000 0.449 274 G N 1.619 110.225 108.800 -0.323 0.000 2.442 274 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 274 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 274 G C 1.393 176.225 174.900 -0.113 0.000 1.141 274 G CA 0.909 45.953 45.100 -0.093 0.000 0.763 274 G HN 0.393 nan 8.290 nan 0.000 0.554 275 L N 0.718 121.844 121.223 -0.162 0.000 2.056 275 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 275 L C 2.932 179.724 176.870 -0.130 0.000 1.078 275 L CA 1.349 56.124 54.840 -0.109 0.000 0.749 275 L CB -0.505 41.497 42.059 -0.096 0.000 0.901 275 L HN 0.087 nan 8.230 nan 0.000 0.433 276 V N -0.549 119.211 119.914 -0.256 0.000 2.358 276 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 276 V C 2.371 178.392 176.094 -0.122 0.000 1.047 276 V CA 1.728 63.883 62.300 -0.241 0.000 1.035 276 V CB -0.831 30.795 31.823 -0.328 0.000 0.658 276 V HN 0.303 nan 8.190 nan 0.000 0.452 277 F N 0.714 120.642 119.950 -0.036 0.000 2.134 277 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 277 F C 2.294 178.082 175.800 -0.021 0.000 1.097 277 F CA 1.076 59.058 58.000 -0.030 0.000 1.264 277 F CB -1.143 37.843 39.000 -0.023 0.000 1.001 277 F HN 0.225 nan 8.300 nan 0.000 0.479 278 D N -0.325 120.156 120.400 0.135 0.000 2.097 278 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 278 D C 2.298 178.628 176.300 0.051 0.000 0.984 278 D CA 1.943 55.990 54.000 0.078 0.000 0.826 278 D CB -0.777 40.054 40.800 0.051 0.000 0.973 278 D HN 0.195 nan 8.370 nan 0.000 0.460 279 T N 0.862 115.433 114.554 0.028 0.000 2.746 279 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 279 T C 2.026 176.741 174.700 0.025 0.000 1.039 279 T CA 1.498 63.611 62.100 0.021 0.000 1.142 279 T CB -0.319 68.552 68.868 0.005 0.000 0.866 279 T HN 0.183 nan 8.240 nan 0.000 0.444 280 A N 1.301 124.135 122.820 0.024 0.000 2.019 280 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 280 A C 2.335 179.940 177.584 0.034 0.000 1.164 280 A CA 1.830 53.879 52.037 0.021 0.000 0.644 280 A CB -0.623 18.396 19.000 0.032 0.000 0.805 280 A HN 0.370 nan 8.150 nan 0.000 0.449 281 K N -0.145 120.282 120.400 0.045 0.000 2.211 281 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 281 K C 1.544 178.161 176.600 0.029 0.000 1.050 281 K CA 1.826 58.134 56.287 0.036 0.000 0.945 281 K CB -0.389 32.136 32.500 0.040 0.000 0.732 281 K HN 0.798 nan 8.250 nan 0.000 0.451 282 E N -0.648 119.571 120.200 0.032 0.000 2.413 282 E HA 0.117 4.467 4.350 -0.000 0.000 0.203 282 E C -0.183 176.438 176.600 0.035 0.000 0.957 282 E CA 0.211 56.629 56.400 0.031 0.000 0.950 282 E CB 0.518 30.236 29.700 0.031 0.000 0.957 282 E HN 0.250 nan 8.360 nan 0.000 0.497 283 D N 0.591 121.014 120.400 0.038 0.000 2.453 283 D HA 0.051 4.691 4.640 -0.000 0.000 0.238 283 D C 0.516 176.844 176.300 0.047 0.000 1.088 283 D CA -0.340 53.691 54.000 0.052 0.000 0.854 283 D CB 1.860 42.703 40.800 0.070 0.000 1.076 283 D HN -0.150 nan 8.370 nan 0.000 0.533 284 V N 4.392 124.336 119.914 0.049 0.000 2.759 284 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 284 V C 1.692 177.823 176.094 0.062 0.000 1.080 284 V CA 1.574 63.901 62.300 0.044 0.000 1.101 284 V CB -0.113 31.733 31.823 0.038 0.000 0.698 284 V HN 0.477 nan 8.190 nan 0.000 0.477 285 E N -0.054 120.211 120.200 0.108 0.000 2.153 285 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 285 E C 2.078 178.763 176.600 0.142 0.000 0.988 285 E CA 1.168 57.684 56.400 0.193 0.000 0.811 285 E CB -0.251 29.631 29.700 0.303 0.000 0.746 285 E HN 0.545 nan 8.360 nan 0.000 0.466 286 L N -0.001 121.209 121.223 -0.022 0.000 2.313 286 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 286 L C 2.401 179.190 176.870 -0.135 0.000 1.119 286 L CA 0.570 55.243 54.840 -0.279 0.000 0.809 286 L CB -0.031 41.877 42.059 -0.252 0.000 0.933 286 L HN -0.023 nan 8.230 nan 0.000 0.449 287 R N -1.091 119.385 120.500 -0.040 0.000 2.246 287 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 287 R C 0.402 176.702 176.300 0.000 0.000 0.984 287 R CA 0.124 56.216 56.100 -0.013 0.000 1.015 287 R CB 0.105 30.408 30.300 0.005 0.000 0.930 287 R HN 0.172 nan 8.270 nan 0.000 0.475 288 T N 0.509 115.073 114.554 0.016 0.000 2.919 288 T HA 0.187 4.537 4.350 -0.000 0.000 0.302 288 T C 0.497 175.214 174.700 0.028 0.000 1.031 288 T CA -0.167 61.954 62.100 0.035 0.000 1.127 288 T CB 1.467 70.375 68.868 0.066 0.000 0.952 288 T HN 0.240 nan 8.240 nan 0.000 0.540 289 G N 2.203 111.020 108.800 0.027 0.000 2.544 289 G HA2 0.430 4.390 3.960 -0.000 0.000 0.242 289 G HA3 0.430 4.390 3.960 -0.000 0.000 0.242 289 G C 0.377 175.298 174.900 0.036 0.000 1.247 289 G CA -0.771 44.344 45.100 0.024 0.000 0.840 289 G HN 0.899 nan 8.290 nan 0.000 0.578 290 I N -0.006 120.583 120.570 0.032 0.000 3.004 290 I HA 0.374 4.544 4.170 -0.000 0.000 0.287 290 I C -1.950 174.188 176.117 0.035 0.000 1.144 290 I CA -1.806 59.519 61.300 0.041 0.000 1.353 290 I CB 0.010 38.031 38.000 0.035 0.000 1.417 290 I HN 0.186 nan 8.210 nan 0.000 0.602 291 P HA 0.200 nan 4.420 nan 0.000 0.269 291 P C -0.868 176.444 177.300 0.021 0.000 1.215 291 P CA -0.335 62.781 63.100 0.027 0.000 0.780 291 P CB 0.389 32.105 31.700 0.026 0.000 0.898 292 R N 1.959 122.470 120.500 0.017 0.000 2.583 292 R HA -0.065 4.275 4.340 -0.000 0.000 0.274 292 R C 0.586 176.894 176.300 0.013 0.000 0.998 292 R CA 0.458 56.566 56.100 0.014 0.000 1.081 292 R CB -0.343 29.964 30.300 0.012 0.000 0.940 292 R HN 0.549 nan 8.270 nan 0.000 0.413 293 Q N -0.061 119.746 119.800 0.012 0.000 2.481 293 Q HA -0.245 4.095 4.340 -0.000 0.000 0.258 293 Q C 0.833 176.841 176.000 0.013 0.000 0.961 293 Q CA 0.662 56.472 55.803 0.011 0.000 1.121 293 Q CB -1.270 27.473 28.738 0.010 0.000 1.503 293 Q HN 0.625 nan 8.270 nan 0.000 0.544 294 L N 0.095 121.328 121.223 0.016 0.000 2.083 294 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 294 L C 1.816 178.696 176.870 0.017 0.000 1.083 294 L CA 1.876 56.727 54.840 0.019 0.000 0.752 294 L CB -0.126 41.948 42.059 0.025 0.000 0.899 294 L HN 0.463 nan 8.230 nan 0.000 0.433 295 L N -1.370 119.862 121.223 0.016 0.000 2.261 295 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 295 L C 1.912 178.790 176.870 0.012 0.000 1.114 295 L CA 1.148 55.997 54.840 0.014 0.000 0.777 295 L CB -0.274 41.792 42.059 0.012 0.000 0.910 295 L HN 0.384 nan 8.230 nan 0.000 0.440 296 L N -2.122 119.108 121.223 0.011 0.000 2.526 296 L HA 0.183 4.523 4.340 -0.000 0.000 0.210 296 L C 1.488 178.364 176.870 0.009 0.000 1.048 296 L CA 0.227 55.072 54.840 0.009 0.000 0.852 296 L CB -0.674 41.389 42.059 0.008 0.000 1.128 296 L HN 0.082 nan 8.230 nan 0.000 0.482 300 S N 0.053 115.759 115.700 0.011 0.000 2.681 300 S HA 0.877 5.347 4.470 -0.000 0.000 0.270 300 S C 0.732 175.339 174.600 0.011 0.000 1.209 300 S CA 0.258 58.465 58.200 0.012 0.000 0.988 300 S CB 1.324 64.533 63.200 0.014 0.000 1.006 300 S HN 1.199 nan 8.310 nan 0.000 0.558 301 T N -1.084 113.477 114.554 0.013 0.000 2.932 301 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 301 T C 1.304 176.010 174.700 0.009 0.000 1.039 301 T CA 0.378 62.485 62.100 0.011 0.000 1.024 301 T CB 1.245 70.120 68.868 0.012 0.000 1.090 301 T HN 0.649 nan 8.240 nan 0.000 0.496 302 T N 1.699 116.257 114.554 0.006 0.000 2.821 302 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 302 T C 1.923 176.623 174.700 -0.000 0.000 1.046 302 T CA 1.808 63.909 62.100 0.002 0.000 1.139 302 T CB -0.371 68.497 68.868 -0.001 0.000 0.871 302 T HN 0.374 nan 8.240 nan 0.000 0.454 303 V N 1.767 121.683 119.914 0.002 0.000 2.295 303 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 303 V C 3.060 179.158 176.094 0.007 0.000 1.049 303 V CA 1.939 64.240 62.300 0.001 0.000 1.024 303 V CB -1.360 30.467 31.823 0.006 0.000 0.648 303 V HN 0.633 nan 8.190 nan 0.000 0.447 304 A N 0.639 123.471 122.820 0.020 0.000 1.877 304 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 304 A C 2.531 180.136 177.584 0.034 0.000 1.186 304 A CA 2.836 54.896 52.037 0.038 0.000 0.620 304 A CB -1.176 17.848 19.000 0.040 0.000 0.822 304 A HN 0.652 nan 8.150 nan 0.000 0.443 305 T N -2.249 112.317 114.554 0.020 0.000 2.788 305 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 305 T C 2.094 176.793 174.700 -0.002 0.000 1.044 305 T CA 2.342 64.451 62.100 0.015 0.000 1.139 305 T CB -0.682 68.193 68.868 0.011 0.000 0.867 305 T HN 0.584 nan 8.240 nan 0.000 0.454 306 R N 1.475 121.965 120.500 -0.017 0.000 2.092 306 R HA 0.191 4.531 4.340 -0.000 0.000 0.231 306 R C 2.632 178.879 176.300 -0.089 0.000 1.119 306 R CA 1.226 57.300 56.100 -0.044 0.000 0.970 306 R CB -1.152 29.124 30.300 -0.041 0.000 0.864 306 R HN 0.350 nan 8.270 nan 0.000 0.440 307 R N 0.468 120.912 120.500 -0.094 0.000 2.066 307 R HA 0.135 4.475 4.340 -0.000 0.000 0.232 307 R C 2.426 178.580 176.300 -0.243 0.000 1.131 307 R CA 1.344 57.310 56.100 -0.223 0.000 0.955 307 R CB -0.739 29.504 30.300 -0.095 0.000 0.851 307 R HN 0.508 nan 8.270 nan 0.000 0.432 308 L N 0.265 121.507 121.223 0.031 0.000 2.083 308 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 308 L C 2.401 179.315 176.870 0.073 0.000 1.083 308 L CA 1.108 56.045 54.840 0.161 0.000 0.752 308 L CB -0.400 41.738 42.059 0.133 0.000 0.899 308 L HN 0.113 nan 8.230 nan 0.000 0.433 309 S N 0.014 115.711 115.700 -0.005 0.000 2.356 309 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 309 S C 2.031 176.606 174.600 -0.042 0.000 1.032 309 S CA 1.321 59.511 58.200 -0.015 0.000 1.005 309 S CB -0.520 62.663 63.200 -0.029 0.000 0.867 309 S HN 0.614 nan 8.310 nan 0.000 0.449 310 G N 0.642 109.363 108.800 -0.131 0.000 2.418 310 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 310 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 310 G C 1.101 175.922 174.900 -0.131 0.000 1.158 310 G CA 0.690 45.679 45.100 -0.185 0.000 0.771 310 G HN 0.447 nan 8.290 nan 0.000 0.545 311 F N 0.771 120.719 119.950 -0.003 0.000 2.134 311 F HA 0.080 4.607 4.527 -0.000 0.000 0.299 311 F C 2.662 178.457 175.800 -0.008 0.000 1.097 311 F CA 0.566 58.563 58.000 -0.005 0.000 1.264 311 F CB -0.709 38.287 39.000 -0.005 0.000 1.001 311 F HN 0.019 nan 8.300 nan 0.000 0.479 312 L N -0.669 120.654 121.223 0.166 0.000 2.131 312 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 312 L C 2.545 179.449 176.870 0.056 0.000 1.092 312 L CA 1.205 56.098 54.840 0.088 0.000 0.759 312 L CB -0.512 41.584 42.059 0.061 0.000 0.903 312 L HN 0.057 nan 8.230 nan 0.000 0.435 313 R N -0.844 119.679 120.500 0.039 0.000 2.073 313 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 313 R C 2.310 178.627 176.300 0.029 0.000 1.120 313 R CA 1.710 57.822 56.100 0.020 0.000 0.967 313 R CB -0.492 29.807 30.300 -0.001 0.000 0.862 313 R HN 0.286 nan 8.270 nan 0.000 0.436 314 T N 1.747 116.330 114.554 0.049 0.000 2.708 314 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 314 T C 1.875 176.610 174.700 0.058 0.000 1.037 314 T CA 1.121 63.257 62.100 0.061 0.000 1.146 314 T CB -0.175 68.753 68.868 0.100 0.000 0.865 314 T HN 0.111 nan 8.240 nan 0.000 0.435 315 L N 0.840 122.102 121.223 0.066 0.000 2.083 315 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 315 L C 3.031 179.919 176.870 0.028 0.000 1.083 315 L CA 1.207 56.071 54.840 0.040 0.000 0.752 315 L CB -0.711 41.365 42.059 0.029 0.000 0.899 315 L HN 0.234 nan 8.230 nan 0.000 0.433 316 A N -0.044 122.793 122.820 0.028 0.000 1.902 316 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 316 A C 1.965 179.561 177.584 0.019 0.000 1.181 316 A CA 2.004 54.053 52.037 0.020 0.000 0.623 316 A CB -0.509 18.499 19.000 0.015 0.000 0.818 316 A HN 0.373 nan 8.150 nan 0.000 0.443 317 D N -0.804 119.608 120.400 0.020 0.000 2.144 317 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 317 D C 2.069 178.382 176.300 0.022 0.000 0.978 317 D CA 1.558 55.570 54.000 0.019 0.000 0.833 317 D CB -0.289 40.522 40.800 0.019 0.000 0.961 317 D HN 0.525 nan 8.370 nan 0.000 0.470 318 R N 0.626 121.142 120.500 0.026 0.000 2.115 318 R HA 0.006 4.346 4.340 -0.000 0.000 0.230 318 R C 2.297 178.613 176.300 0.025 0.000 1.111 318 R CA 0.579 56.694 56.100 0.026 0.000 0.976 318 R CB -0.466 29.850 30.300 0.027 0.000 0.870 318 R HN 0.131 nan 8.270 nan 0.000 0.445 319 L N 0.520 121.758 121.223 0.026 0.000 2.083 319 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 319 L C 2.065 178.956 176.870 0.034 0.000 1.083 319 L CA 1.585 56.444 54.840 0.032 0.000 0.752 319 L CB -0.296 41.785 42.059 0.035 0.000 0.899 319 L HN 0.362 nan 8.230 nan 0.000 0.433 320 E N -0.426 119.791 120.200 0.027 0.000 2.097 320 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 320 E C 2.015 178.632 176.600 0.027 0.000 1.000 320 E CA 1.255 57.670 56.400 0.025 0.000 0.804 320 E CB -0.340 29.371 29.700 0.018 0.000 0.740 320 E HN 0.584 nan 8.360 nan 0.000 0.454 321 G N 0.629 109.445 108.800 0.026 0.000 2.712 321 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.212 321 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.212 321 G C 0.561 175.479 174.900 0.031 0.000 1.142 321 G CA -0.019 45.097 45.100 0.026 0.000 0.789 321 G HN 0.075 nan 8.290 nan 0.000 0.535 322 T N 1.170 115.745 114.554 0.035 0.000 2.853 322 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 322 T C 1.416 176.145 174.700 0.047 0.000 0.978 322 T CA 0.672 62.795 62.100 0.039 0.000 1.152 322 T CB 1.487 70.378 68.868 0.039 0.000 0.914 322 T HN 0.363 nan 8.240 nan 0.000 0.539 323 K N 2.539 122.967 120.400 0.046 0.000 2.370 323 K HA 0.296 4.616 4.320 -0.000 0.000 0.194 323 K C 0.686 177.321 176.600 0.059 0.000 1.070 323 K CA 0.347 56.664 56.287 0.050 0.000 0.998 323 K CB 0.363 32.888 32.500 0.041 0.000 0.911 323 K HN 0.737 nan 8.250 nan 0.000 0.533 324 E N -0.121 120.113 120.200 0.057 0.000 2.275 324 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 324 E C -1.594 175.042 176.600 0.060 0.000 0.882 324 E CA -0.599 55.838 56.400 0.062 0.000 0.758 324 E CB 1.669 31.399 29.700 0.050 0.000 1.195 324 E HN 0.261 nan 8.360 nan 0.000 0.419 325 L N 4.392 125.660 121.223 0.076 0.000 2.317 325 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 325 L C -0.601 176.288 176.870 0.032 0.000 1.024 325 L CA -0.863 54.006 54.840 0.048 0.000 0.810 325 L CB 1.352 43.458 42.059 0.080 0.000 1.240 325 L HN 0.430 nan 8.230 nan 0.000 0.427 326 L N 1.923 123.143 121.223 -0.006 0.000 2.307 326 L HA 0.388 4.728 4.340 -0.000 0.000 0.284 326 L C 0.254 177.105 176.870 -0.030 0.000 1.023 326 L CA 0.079 54.922 54.840 0.005 0.000 0.810 326 L CB 1.899 43.973 42.059 0.025 0.000 1.231 326 L HN 0.579 nan 8.230 nan 0.000 0.423 327 S N 1.669 117.372 115.700 0.004 0.000 2.439 327 S HA 0.174 4.644 4.470 -0.000 0.000 0.282 327 S C 1.053 175.669 174.600 0.026 0.000 1.170 327 S CA -0.484 57.716 58.200 0.000 0.000 1.054 327 S CB 0.993 64.229 63.200 0.061 0.000 0.956 327 S HN 0.780 nan 8.310 nan 0.000 0.490 328 S N 3.993 119.697 115.700 0.007 0.000 2.371 328 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 328 S C 0.714 175.351 174.600 0.061 0.000 1.029 328 S CA 0.936 59.160 58.200 0.039 0.000 0.978 328 S CB -0.085 63.127 63.200 0.020 0.000 0.833 328 S HN 0.867 nan 8.310 nan 0.000 0.466 329 D N -1.146 119.291 120.400 0.061 0.000 2.042 329 D HA 0.217 4.857 4.640 -0.000 0.000 0.351 329 D C 1.565 177.932 176.300 0.113 0.000 1.053 329 D CA 0.060 54.113 54.000 0.087 0.000 0.903 329 D CB -0.227 40.615 40.800 0.069 0.000 1.749 329 D HN 0.211 nan 8.370 nan 0.000 0.537 330 M N 1.436 121.093 119.600 0.095 0.000 2.073 330 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 330 M C 2.320 178.726 176.300 0.177 0.000 1.070 330 M CA 1.753 57.123 55.300 0.117 0.000 1.103 330 M CB -0.178 32.476 32.600 0.090 0.000 1.321 330 M HN -0.121 nan 8.290 nan 0.000 0.405 331 K N 0.539 121.046 120.400 0.178 0.000 2.026 331 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 331 K C 2.075 178.841 176.600 0.277 0.000 1.048 331 K CA 1.638 58.064 56.287 0.232 0.000 0.929 331 K CB -0.107 32.502 32.500 0.182 0.000 0.713 331 K HN 0.178 nan 8.250 nan 0.000 0.439 332 K N 0.668 121.216 120.400 0.247 0.000 2.026 332 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 332 K C 1.731 178.480 176.600 0.247 0.000 1.048 332 K CA 2.251 58.719 56.287 0.303 0.000 0.929 332 K CB -0.232 32.439 32.500 0.286 0.000 0.713 332 K HN 0.136 nan 8.250 nan 0.000 0.439 333 D N -0.494 120.053 120.400 0.244 0.000 2.117 333 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 333 D C 1.768 178.306 176.300 0.397 0.000 0.987 333 D CA 1.029 55.219 54.000 0.317 0.000 0.829 333 D CB -0.112 40.841 40.800 0.255 0.000 0.961 333 D HN 0.268 nan 8.370 nan 0.000 0.460 334 F N 0.880 120.942 119.950 0.186 0.000 2.075 334 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 334 F C 1.917 177.810 175.800 0.155 0.000 1.113 334 F CA 1.076 59.174 58.000 0.163 0.000 1.218 334 F CB -0.370 38.698 39.000 0.113 0.000 0.984 334 F HN -0.020 nan 8.300 nan 0.000 0.472 335 I N 0.483 121.051 120.570 -0.005 0.000 2.226 335 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 335 I C 2.449 178.522 176.117 -0.075 0.000 1.100 335 I CA 1.578 62.826 61.300 -0.086 0.000 1.374 335 I CB -1.431 36.646 38.000 0.128 0.000 1.057 335 I HN 0.284 nan 8.210 nan 0.000 0.413 336 M N -0.838 118.723 119.600 -0.066 0.000 2.296 336 M HA -0.168 4.312 4.480 -0.000 0.000 0.265 336 M C 1.899 177.958 176.300 -0.402 0.000 1.064 336 M CA 1.569 56.713 55.300 -0.259 0.000 1.109 336 M CB -0.448 31.923 32.600 -0.381 0.000 1.396 336 M HN 0.273 nan 8.290 nan 0.000 0.430 337 H N -0.875 118.195 119.070 0.001 0.000 2.648 337 H HA 0.132 4.688 4.556 -0.000 0.000 0.265 337 H C 0.610 175.999 175.328 0.102 0.000 0.961 337 H CA -0.319 55.751 56.048 0.036 0.000 1.185 337 H CB 0.268 30.055 29.762 0.042 0.000 1.449 337 H HN 0.274 nan 8.280 nan 0.000 0.523 338 R N 0.946 121.483 120.500 0.061 0.000 2.801 338 R HA 0.150 4.490 4.340 -0.000 0.000 0.273 338 R C -0.484 175.849 176.300 0.055 0.000 1.080 338 R CA -0.422 55.700 56.100 0.037 0.000 1.197 338 R CB 0.487 30.548 30.300 -0.398 0.000 1.109 338 R HN 0.036 nan 8.270 nan 0.000 0.535 339 L N 1.862 123.048 121.223 -0.061 0.000 2.439 339 L HA 0.265 4.605 4.340 -0.000 0.000 0.269 339 L C -1.649 175.270 176.870 0.081 0.000 1.179 339 L CA -1.954 52.813 54.840 -0.121 0.000 0.828 339 L CB 0.722 42.692 42.059 -0.149 0.000 1.106 339 L HN 0.640 nan 8.230 nan 0.000 0.467 340 P HA 0.222 nan 4.420 nan 0.000 0.274 340 P C -2.685 174.821 177.300 0.343 0.000 1.246 340 P CA -1.748 61.456 63.100 0.174 0.000 0.795 340 P CB -0.094 31.670 31.700 0.106 0.000 1.006 341 P HA 0.059 nan 4.420 nan 0.000 0.268 341 P C -0.481 176.872 177.300 0.087 0.000 1.205 341 P CA 0.084 63.252 63.100 0.112 0.000 0.771 341 P CB -0.054 31.606 31.700 -0.066 0.000 0.858 342 Y N 2.939 123.047 120.300 -0.320 0.000 2.632 342 Y HA 0.199 4.749 4.550 -0.000 0.000 0.329 342 Y C 0.285 175.914 175.900 -0.452 0.000 1.174 342 Y CA 0.690 58.270 58.100 -0.867 0.000 1.469 342 Y CB 0.147 38.015 38.460 -0.987 0.000 1.242 342 Y HN 0.356 nan 8.280 nan 0.000 0.540 343 S N 5.301 120.399 115.700 -1.003 0.000 2.500 343 S HA 0.914 5.384 4.470 -0.000 0.000 0.301 343 S C -0.490 173.629 174.600 -0.802 0.000 1.092 343 S CA -0.610 57.227 58.200 -0.605 0.000 1.030 343 S CB 1.532 64.614 63.200 -0.196 0.000 1.031 343 S HN 1.002 nan 8.310 nan 0.000 0.483 357 L N 4.232 125.273 121.223 -0.303 0.000 2.418 357 L HA 0.438 4.778 4.340 -0.000 0.000 0.274 357 L C -1.747 174.836 176.870 -0.479 0.000 1.135 357 L CA -1.385 53.015 54.840 -0.734 0.000 0.870 357 L CB 0.730 42.422 42.059 -0.611 0.000 1.154 357 L HN 0.690 nan 8.230 nan 0.000 0.462 358 P HA 0.208 nan 4.420 nan 0.000 0.272 358 P C -1.296 175.892 177.300 -0.186 0.000 1.223 358 P CA -0.212 62.742 63.100 -0.243 0.000 0.784 358 P CB 0.616 32.217 31.700 -0.165 0.000 0.923 359 R N 1.047 121.479 120.500 -0.113 0.000 2.905 359 R HA 0.404 4.744 4.340 -0.000 0.000 0.260 359 R C 0.764 177.033 176.300 -0.052 0.000 1.086 359 R CA -0.992 55.059 56.100 -0.082 0.000 0.978 359 R CB 0.106 30.360 30.300 -0.076 0.000 1.215 359 R HN 0.128 nan 8.270 nan 0.000 0.480 360 L N 1.371 122.570 121.223 -0.040 0.000 2.127 360 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 360 L C 1.373 178.228 176.870 -0.026 0.000 1.089 360 L CA 2.224 57.048 54.840 -0.028 0.000 0.757 360 L CB -0.518 41.528 42.059 -0.022 0.000 0.899 360 L HN 0.864 nan 8.230 nan 0.000 0.434 361 D N -1.808 118.575 120.400 -0.028 0.000 2.328 361 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 361 D C 0.603 176.888 176.300 -0.025 0.000 1.072 361 D CA 0.489 54.474 54.000 -0.024 0.000 0.850 361 D CB -0.349 40.438 40.800 -0.022 0.000 0.922 361 D HN 0.399 nan 8.370 nan 0.000 0.516 362 S N -0.633 115.049 115.700 -0.030 0.000 2.687 362 S HA 0.559 5.029 4.470 -0.000 0.000 0.283 362 S C -0.028 174.559 174.600 -0.021 0.000 1.170 362 S CA -0.844 57.339 58.200 -0.029 0.000 1.008 362 S CB 2.008 65.183 63.200 -0.041 0.000 1.026 362 S HN -0.045 nan 8.310 nan 0.000 0.541 363 V N 2.189 122.092 119.914 -0.017 0.000 2.394 363 V HA 0.560 4.680 4.120 -0.000 0.000 0.282 363 V C 0.194 176.282 176.094 -0.010 0.000 1.031 363 V CA -0.612 61.680 62.300 -0.013 0.000 0.881 363 V CB 1.038 32.853 31.823 -0.013 0.000 0.982 363 V HN 0.912 nan 8.190 nan 0.000 0.451 364 V N 3.331 123.241 119.914 -0.007 0.000 2.881 364 V HA 0.840 4.960 4.120 -0.000 0.000 0.316 364 V C -0.442 175.643 176.094 -0.016 0.000 1.070 364 V CA -0.966 61.333 62.300 -0.002 0.000 0.976 364 V CB 1.839 33.670 31.823 0.014 0.000 1.038 364 V HN 0.968 nan 8.190 nan 0.000 0.446 365 R N 2.884 123.367 120.500 -0.028 0.000 2.564 365 R HA 0.612 4.952 4.340 -0.000 0.000 0.284 365 R C -1.709 174.535 176.300 -0.093 0.000 1.031 365 R CA -0.858 55.206 56.100 -0.060 0.000 0.904 365 R CB 1.949 32.212 30.300 -0.061 0.000 1.199 365 R HN 0.904 nan 8.270 nan 0.000 0.443 366 L N 4.528 125.660 121.223 -0.152 0.000 2.410 366 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 366 L C -0.394 176.345 176.870 -0.219 0.000 1.144 366 L CA 0.711 55.404 54.840 -0.245 0.000 0.863 366 L CB 0.861 42.647 42.059 -0.455 0.000 1.140 366 L HN 0.720 nan 8.230 nan 0.000 0.463 367 Q N 3.515 123.199 119.800 -0.193 0.000 2.297 367 Q HA 0.517 4.857 4.340 -0.000 0.000 0.268 367 Q C -0.638 175.282 176.000 -0.134 0.000 1.045 367 Q CA -0.856 54.791 55.803 -0.260 0.000 0.861 367 Q CB 1.174 29.694 28.738 -0.365 0.000 1.344 367 Q HN 0.489 nan 8.270 nan 0.000 0.452 368 F N -0.524 119.361 119.950 -0.109 0.000 3.039 368 F HA -0.254 4.273 4.527 -0.000 0.000 0.287 368 F C 1.198 177.047 175.800 0.082 0.000 0.956 368 F CA 0.955 58.915 58.000 -0.066 0.000 0.971 368 F CB -1.393 37.450 39.000 -0.262 0.000 0.943 368 F HN 0.859 nan 8.300 nan 0.000 0.766 369 K N 1.506 121.979 120.400 0.122 0.000 2.113 369 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 369 K C 1.761 178.479 176.600 0.197 0.000 1.047 369 K CA 1.962 58.280 56.287 0.051 0.000 0.928 369 K CB -0.111 32.360 32.500 -0.048 0.000 0.716 369 K HN 0.627 nan 8.250 nan 0.000 0.446 370 D N -1.197 119.368 120.400 0.275 0.000 2.336 370 D HA -0.123 4.517 4.640 -0.000 0.000 0.229 370 D C 0.483 176.869 176.300 0.143 0.000 1.061 370 D CA 0.627 54.765 54.000 0.231 0.000 0.875 370 D CB -0.130 40.782 40.800 0.187 0.000 0.904 370 D HN 0.445 nan 8.370 nan 0.000 0.525 371 H N -0.170 119.027 119.070 0.210 0.000 2.672 371 H HA 0.355 4.911 4.556 -0.000 0.000 0.277 371 H C 0.217 175.663 175.328 0.198 0.000 1.074 371 H CA -0.160 55.986 56.048 0.162 0.000 1.173 371 H CB 1.342 31.184 29.762 0.134 0.000 1.558 371 H HN 0.130 nan 8.280 nan 0.000 0.539 372 I N 1.200 121.964 120.570 0.324 0.000 2.689 372 I HA 0.303 4.473 4.170 -0.000 0.000 0.299 372 I C -0.554 175.734 176.117 0.285 0.000 1.059 372 I CA -1.109 60.396 61.300 0.341 0.000 1.055 372 I CB 2.993 41.238 38.000 0.407 0.000 1.243 372 I HN -0.279 nan 8.210 nan 0.000 0.425 373 V N 5.500 125.478 119.914 0.107 0.000 2.540 373 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 373 V C -0.719 175.245 176.094 -0.216 0.000 1.035 373 V CA -0.645 61.583 62.300 -0.119 0.000 0.873 373 V CB 2.115 33.679 31.823 -0.433 0.000 0.992 373 V HN 0.498 nan 8.190 nan 0.000 0.428 374 L N 5.490 126.586 121.223 -0.211 0.000 2.345 374 L HA 0.829 5.169 4.340 -0.000 0.000 0.274 374 L C -0.042 176.701 176.870 -0.212 0.000 0.999 374 L CA 0.437 55.084 54.840 -0.322 0.000 0.849 374 L CB 1.557 43.149 42.059 -0.778 0.000 1.220 374 L HN 0.892 nan 8.230 nan 0.000 0.422 375 T N 1.433 115.927 114.554 -0.101 0.000 2.906 375 T HA 0.675 5.025 4.350 -0.000 0.000 0.295 375 T C -0.648 174.113 174.700 0.102 0.000 1.061 375 T CA -0.818 61.285 62.100 0.005 0.000 1.000 375 T CB 1.833 70.733 68.868 0.053 0.000 1.103 375 T HN 0.176 nan 8.240 nan 0.000 0.486 376 V N 2.697 122.664 119.914 0.089 0.000 2.370 376 V HA 0.546 4.666 4.120 -0.000 0.000 0.279 376 V C -0.419 175.759 176.094 0.141 0.000 1.029 376 V CA -0.593 61.779 62.300 0.120 0.000 0.870 376 V CB 0.537 32.393 31.823 0.056 0.000 0.984 376 V HN 0.711 nan 8.190 nan 0.000 0.451 377 L N 7.211 128.576 121.223 0.237 0.000 2.388 377 L HA 0.643 4.983 4.340 -0.000 0.000 0.264 377 L C -2.401 174.570 176.870 0.169 0.000 0.998 377 L CA -1.813 53.112 54.840 0.141 0.000 0.817 377 L CB 2.969 45.004 42.059 -0.040 0.000 1.338 377 L HN 0.402 nan 8.230 nan 0.000 0.414 389 K N 3.368 123.789 120.400 0.034 0.000 2.098 389 K HA 0.637 4.957 4.320 -0.000 0.000 0.261 389 K C -0.236 176.394 176.600 0.050 0.000 0.987 389 K CA -0.892 55.430 56.287 0.057 0.000 0.916 389 K CB 0.946 33.475 32.500 0.047 0.000 1.039 389 K HN 0.438 nan 8.250 nan 0.000 0.455 390 M N 1.300 120.948 119.600 0.080 0.000 2.593 390 M HA 0.318 4.798 4.480 -0.000 0.000 0.290 390 M C -0.853 175.433 176.300 -0.023 0.000 1.244 390 M CA -1.019 54.259 55.300 -0.036 0.000 0.857 390 M CB 1.916 34.391 32.600 -0.207 0.000 1.738 390 M HN 0.198 nan 8.290 nan 0.000 0.461 391 V N 2.014 121.870 119.914 -0.095 0.000 2.407 391 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 391 V C -1.148 174.877 176.094 -0.114 0.000 1.037 391 V CA -0.426 61.867 62.300 -0.012 0.000 0.900 391 V CB 0.477 32.319 31.823 0.032 0.000 0.983 391 V HN 0.627 nan 8.190 nan 0.000 0.459 392 Y N 4.663 125.012 120.300 0.080 0.000 2.352 392 Y HA 0.655 5.205 4.550 -0.000 0.000 0.339 392 Y C 0.142 176.085 175.900 0.072 0.000 0.992 392 Y CA -0.600 57.570 58.100 0.117 0.000 1.100 392 Y CB 1.779 40.344 38.460 0.176 0.000 1.192 392 Y HN 0.460 nan 8.280 nan 0.000 0.458 393 I N 5.065 125.805 120.570 0.283 0.000 2.406 393 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 393 I C -1.298 175.018 176.117 0.333 0.000 0.999 393 I CA -1.054 60.387 61.300 0.234 0.000 1.124 393 I CB 1.133 39.364 38.000 0.384 0.000 1.289 393 I HN 0.515 nan 8.210 nan 0.000 0.441 394 Y N 3.637 124.101 120.300 0.273 0.000 2.492 394 Y HA 0.771 5.321 4.550 -0.000 0.000 0.346 394 Y C -0.577 175.460 175.900 0.229 0.000 0.997 394 Y CA -1.131 57.085 58.100 0.194 0.000 1.025 394 Y CB 0.870 39.378 38.460 0.080 0.000 1.263 394 Y HN 0.667 nan 8.280 nan 0.000 0.454 395 H N -1.378 117.878 119.070 0.310 0.000 2.908 395 H HA 0.695 5.251 4.556 -0.000 0.000 0.350 395 H C -0.121 175.293 175.328 0.144 0.000 1.217 395 H CA -0.768 55.405 56.048 0.207 0.000 1.168 395 H CB 1.815 31.671 29.762 0.157 0.000 1.891 395 H HN 0.544 nan 8.280 nan 0.000 0.566 396 S N 0.127 115.932 115.700 0.175 0.000 2.539 396 S HA 0.108 4.578 4.470 -0.000 0.000 0.221 396 S C 1.174 175.819 174.600 0.074 0.000 0.987 396 S CA -0.396 57.840 58.200 0.061 0.000 0.929 396 S CB -0.330 62.891 63.200 0.034 0.000 0.832 396 S HN 0.598 nan 8.310 nan 0.000 0.492 397 L N 0.353 121.698 121.223 0.202 0.000 2.265 397 L HA 0.085 4.425 4.340 -0.000 0.000 0.215 397 L C 1.341 178.169 176.870 -0.070 0.000 1.117 397 L CA 0.820 55.661 54.840 0.002 0.000 0.782 397 L CB -0.426 41.537 42.059 -0.160 0.000 0.914 397 L HN 0.216 nan 8.230 nan 0.000 0.441 398 K N -0.272 120.047 120.400 -0.135 0.000 2.618 398 K HA 0.240 4.560 4.320 -0.000 0.000 0.207 398 K C -0.361 176.127 176.600 -0.187 0.000 1.058 398 K CA -0.287 55.824 56.287 -0.293 0.000 1.086 398 K CB -0.016 31.980 32.500 -0.841 0.000 0.827 398 K HN 0.097 nan 8.250 nan 0.000 0.481 399 N N 1.473 120.110 118.700 -0.105 0.000 2.479 399 N HA -0.037 4.703 4.740 -0.000 0.000 0.257 399 N C -0.170 175.288 175.510 -0.087 0.000 1.232 399 N CA 0.250 53.255 53.050 -0.076 0.000 0.920 399 N CB 0.771 39.229 38.487 -0.049 0.000 1.105 399 N HN -0.045 nan 8.380 nan 0.000 0.444 400 S N 0.975 116.628 115.700 -0.079 0.000 2.505 400 S HA 0.075 4.545 4.470 -0.000 0.000 0.276 400 S C 1.384 175.897 174.600 -0.145 0.000 1.274 400 S CA -0.475 57.661 58.200 -0.106 0.000 1.053 400 S CB 0.318 63.472 63.200 -0.076 0.000 0.919 400 S HN 0.549 nan 8.310 nan 0.000 0.490 401 R N 3.459 123.796 120.500 -0.272 0.000 2.073 401 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 401 R C 1.311 177.424 176.300 -0.312 0.000 1.120 401 R CA 1.760 57.596 56.100 -0.441 0.000 0.967 401 R CB -0.247 29.539 30.300 -0.857 0.000 0.862 401 R HN 0.739 nan 8.270 nan 0.000 0.436 402 E N -0.427 119.615 120.200 -0.263 0.000 2.333 402 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 402 E C 1.466 177.979 176.600 -0.145 0.000 1.007 402 E CA 1.715 57.977 56.400 -0.230 0.000 0.845 402 E CB 0.158 29.760 29.700 -0.163 0.000 0.766 402 E HN 0.543 nan 8.360 nan 0.000 0.507 403 T N -3.030 111.474 114.554 -0.084 0.000 3.001 403 T HA -0.025 4.325 4.350 -0.000 0.000 0.251 403 T C 0.707 175.409 174.700 0.003 0.000 1.040 403 T CA -0.432 61.646 62.100 -0.037 0.000 0.985 403 T CB -0.184 68.670 68.868 -0.023 0.000 1.011 403 T HN 0.176 nan 8.240 nan 0.000 0.509 404 H N 2.891 121.914 119.070 -0.078 0.000 3.231 404 H HA -0.057 4.499 4.556 -0.000 0.000 0.280 404 H C 0.535 175.857 175.328 -0.009 0.000 0.901 404 H CA 0.892 56.922 56.048 -0.029 0.000 1.414 404 H CB 0.099 29.833 29.762 -0.046 0.000 1.433 404 H HN 0.169 nan 8.280 nan 0.000 0.549 405 M N 3.366 122.728 119.600 -0.397 0.000 2.907 405 M HA -0.267 4.213 4.480 -0.000 0.000 0.186 405 M C 0.708 176.897 176.300 -0.185 0.000 0.631 405 M CA 0.727 55.828 55.300 -0.333 0.000 0.700 405 M CB -1.690 30.677 32.600 -0.388 0.000 2.523 405 M HN 0.606 nan 8.290 nan 0.000 0.323 406 M N -0.633 118.892 119.600 -0.125 0.000 2.334 406 M HA 0.264 4.744 4.480 -0.000 0.000 0.266 406 M C 1.539 177.780 176.300 -0.097 0.000 1.082 406 M CA 1.727 56.966 55.300 -0.102 0.000 1.141 406 M CB -0.775 31.786 32.600 -0.065 0.000 1.380 406 M HN 0.657 nan 8.290 nan 0.000 0.440 407 G N 2.504 111.257 108.800 -0.077 0.000 2.392 407 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.290 407 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.290 407 G C -0.120 174.753 174.900 -0.045 0.000 1.032 407 G CA 0.718 45.778 45.100 -0.067 0.000 1.269 407 G HN 0.934 nan 8.290 nan 0.000 0.511 416 G N 1.285 110.156 108.800 0.118 0.000 2.324 416 G HA2 0.363 4.322 3.960 -0.000 0.000 0.293 416 G HA3 0.363 4.322 3.960 -0.000 0.000 0.293 416 G C -2.123 172.894 174.900 0.196 0.000 1.297 416 G CA -0.885 44.386 45.100 0.285 0.000 0.853 416 G HN 0.374 nan 8.290 nan 0.000 0.535 417 L N -0.532 120.809 121.223 0.196 0.000 2.301 417 L HA 0.862 5.202 4.340 -0.000 0.000 0.264 417 L C 0.286 177.070 176.870 -0.144 0.000 1.016 417 L CA -1.031 53.791 54.840 -0.029 0.000 0.821 417 L CB 2.364 44.374 42.059 -0.082 0.000 1.346 417 L HN 0.632 nan 8.230 nan 0.000 0.429 418 R N 0.678 120.886 120.500 -0.487 0.000 2.621 418 R HA 0.732 5.072 4.340 -0.000 0.000 0.292 418 R C -1.992 173.824 176.300 -0.807 0.000 0.969 418 R CA -0.421 55.319 56.100 -0.600 0.000 0.887 418 R CB 1.518 31.495 30.300 -0.539 0.000 1.180 418 R HN 0.474 nan 8.270 nan 0.000 0.450 419 F N 2.952 122.723 119.950 -0.298 0.000 2.626 419 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 419 F C -2.058 173.562 175.800 -0.300 0.000 1.088 419 F CA -2.315 55.501 58.000 -0.308 0.000 0.949 419 F CB 2.026 40.889 39.000 -0.228 0.000 1.322 419 F HN 0.414 nan 8.300 nan 0.000 0.461 420 P HA 0.226 nan 4.420 nan 0.000 0.274 420 P C 0.808 178.133 177.300 0.042 0.000 1.246 420 P CA -0.258 62.805 63.100 -0.061 0.000 0.795 420 P CB 0.787 32.459 31.700 -0.047 0.000 1.006 421 L N 0.611 121.860 121.223 0.043 0.000 2.261 421 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 421 L C 2.238 179.156 176.870 0.080 0.000 1.114 421 L CA 1.941 56.812 54.840 0.052 0.000 0.777 421 L CB -0.864 41.216 42.059 0.033 0.000 0.910 421 L HN 0.461 nan 8.230 nan 0.000 0.440 422 S N -1.800 113.980 115.700 0.132 0.000 2.423 422 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 422 S C 1.668 176.337 174.600 0.116 0.000 1.014 422 S CA 0.934 59.212 58.200 0.130 0.000 0.965 422 S CB -0.497 62.799 63.200 0.159 0.000 0.785 422 S HN 0.476 nan 8.310 nan 0.000 0.495 423 H N 0.554 119.615 119.070 -0.015 0.000 2.535 423 H HA 0.323 4.879 4.556 -0.000 0.000 0.273 423 H C 1.759 177.025 175.328 -0.102 0.000 0.983 423 H CA 0.542 56.552 56.048 -0.064 0.000 1.238 423 H CB -0.364 29.353 29.762 -0.074 0.000 1.412 423 H HN 0.277 nan 8.280 nan 0.000 0.562 424 L N 0.997 122.239 121.223 0.031 0.000 2.043 424 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 424 L C 1.091 177.932 176.870 -0.049 0.000 1.075 424 L CA 1.948 56.767 54.840 -0.034 0.000 0.752 424 L CB -0.390 41.657 42.059 -0.021 0.000 0.891 424 L HN 0.200 nan 8.230 nan 0.000 0.432 425 D N -0.360 120.019 120.400 -0.034 0.000 2.097 425 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 425 D C 2.215 178.496 176.300 -0.031 0.000 0.989 425 D CA 1.472 55.454 54.000 -0.030 0.000 0.827 425 D CB -0.406 40.378 40.800 -0.026 0.000 0.966 425 D HN 0.478 nan 8.370 nan 0.000 0.456 426 A N 0.413 123.199 122.820 -0.056 0.000 1.902 426 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 426 A C 2.185 179.760 177.584 -0.015 0.000 1.181 426 A CA 0.955 52.958 52.037 -0.055 0.000 0.623 426 A CB -0.838 18.090 19.000 -0.119 0.000 0.818 426 A HN 0.191 nan 8.150 nan 0.000 0.443 427 L N -0.768 120.428 121.223 -0.045 0.000 2.093 427 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 427 L C 2.516 179.445 176.870 0.098 0.000 1.085 427 L CA 1.470 56.311 54.840 0.002 0.000 0.755 427 L CB -0.319 41.620 42.059 -0.198 0.000 0.904 427 L HN 0.322 nan 8.230 nan 0.000 0.435 428 K N -0.434 119.968 120.400 0.003 0.000 2.148 428 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 428 K C 2.142 178.817 176.600 0.124 0.000 1.050 428 K CA 1.003 57.318 56.287 0.046 0.000 0.942 428 K CB -0.044 32.449 32.500 -0.012 0.000 0.724 428 K HN 0.397 nan 8.250 nan 0.000 0.446 429 Q N 0.547 120.400 119.800 0.088 0.000 2.084 429 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 429 Q C 2.102 178.169 176.000 0.111 0.000 0.978 429 Q CA 1.297 57.146 55.803 0.076 0.000 0.844 429 Q CB -0.104 28.657 28.738 0.037 0.000 0.898 429 Q HN 0.309 nan 8.270 nan 0.000 0.426 430 I N -0.666 120.003 120.570 0.164 0.000 2.252 430 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 430 I C 2.141 178.351 176.117 0.155 0.000 1.102 430 I CA 1.059 62.449 61.300 0.151 0.000 1.385 430 I CB -0.335 37.765 38.000 0.165 0.000 1.064 430 I HN 0.381 nan 8.210 nan 0.000 0.414 431 W N 1.635 122.936 121.300 0.002 0.000 2.355 431 W HA -0.173 4.487 4.660 -0.000 0.000 0.309 431 W C 1.414 177.942 176.519 0.015 0.000 1.206 431 W CA 1.337 58.691 57.345 0.016 0.000 1.284 431 W CB -0.556 28.916 29.460 0.020 0.000 1.145 431 W HN 0.236 nan 8.180 nan 0.000 0.502 432 N N -0.250 118.587 118.700 0.228 0.000 2.410 432 N HA 0.025 4.765 4.740 -0.000 0.000 0.231 432 N C -0.836 174.716 175.510 0.069 0.000 1.172 432 N CA -0.006 53.120 53.050 0.127 0.000 0.849 432 N CB 0.348 38.903 38.487 0.113 0.000 1.116 432 N HN -0.242 nan 8.380 nan 0.000 0.485 433 S N 0.507 116.235 115.700 0.047 0.000 2.571 433 S HA 0.265 4.735 4.470 -0.000 0.000 0.284 433 S C -1.678 172.917 174.600 -0.009 0.000 1.128 433 S CA -1.043 57.168 58.200 0.018 0.000 0.970 433 S CB 2.205 65.417 63.200 0.020 0.000 1.039 433 S HN 0.075 nan 8.310 nan 0.000 0.485 434 P HA 0.099 nan 4.420 nan 0.000 0.218 434 P C -0.007 177.273 177.300 -0.033 0.000 1.149 434 P CA 0.643 63.728 63.100 -0.026 0.000 0.817 434 P CB 0.214 31.902 31.700 -0.019 0.000 0.785 435 A N -0.848 121.959 122.820 -0.022 0.000 2.555 435 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 435 A C -1.571 176.006 177.584 -0.012 0.000 1.060 435 A CA -0.528 51.496 52.037 -0.021 0.000 0.710 435 A CB 0.923 19.910 19.000 -0.021 0.000 1.282 435 A HN 0.078 nan 8.150 nan 0.000 0.399 436 I N 0.981 121.545 120.570 -0.010 0.000 2.686 436 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 436 I C -0.244 175.869 176.117 -0.006 0.000 1.114 436 I CA -0.284 61.013 61.300 -0.004 0.000 1.038 436 I CB 2.237 40.239 38.000 0.003 0.000 1.238 436 I HN 0.576 nan 8.210 nan 0.000 0.420 437 S N 4.209 119.904 115.700 -0.007 0.000 2.528 437 S HA 0.133 4.603 4.470 -0.000 0.000 0.277 437 S C 1.178 175.772 174.600 -0.009 0.000 1.297 437 S CA -0.637 57.557 58.200 -0.009 0.000 1.052 437 S CB 1.570 64.764 63.200 -0.010 0.000 0.917 437 S HN 0.502 nan 8.310 nan 0.000 0.492 438 V N 4.311 124.218 119.914 -0.011 0.000 2.392 438 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 438 V C 2.831 178.915 176.094 -0.015 0.000 1.059 438 V CA 2.384 64.677 62.300 -0.012 0.000 1.051 438 V CB -1.267 30.547 31.823 -0.014 0.000 0.658 438 V HN 0.979 nan 8.190 nan 0.000 0.455 439 K N -0.532 119.859 120.400 -0.016 0.000 2.283 439 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 439 K C 1.636 178.226 176.600 -0.016 0.000 1.048 439 K CA 1.763 58.040 56.287 -0.016 0.000 0.948 439 K CB -0.630 31.861 32.500 -0.015 0.000 0.742 439 K HN 0.563 nan 8.250 nan 0.000 0.458 440 D N -0.183 120.208 120.400 -0.014 0.000 2.355 440 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 440 D C 0.233 176.524 176.300 -0.016 0.000 1.004 440 D CA -0.036 53.956 54.000 -0.013 0.000 0.880 440 D CB -0.136 40.659 40.800 -0.008 0.000 0.911 440 D HN 0.430 nan 8.370 nan 0.000 0.528 441 L N 0.831 122.041 121.223 -0.022 0.000 2.456 441 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 441 L C 0.870 177.712 176.870 -0.045 0.000 1.189 441 L CA 0.091 54.911 54.840 -0.033 0.000 0.846 441 L CB 0.600 42.634 42.059 -0.042 0.000 1.111 441 L HN -0.368 nan 8.230 nan 0.000 0.475 442 K N 5.036 125.405 120.400 -0.051 0.000 2.155 442 K HA 0.413 4.733 4.320 -0.000 0.000 0.240 442 K C -0.970 175.574 176.600 -0.093 0.000 1.193 442 K CA 0.122 56.375 56.287 -0.056 0.000 1.104 442 K CB -0.069 32.407 32.500 -0.041 0.000 1.558 442 K HN 0.379 nan 8.250 nan 0.000 0.313 443 L N 0.127 121.290 121.223 -0.099 0.000 2.409 443 L HA 0.239 4.579 4.340 -0.000 0.000 0.262 443 L C 1.656 178.480 176.870 -0.077 0.000 0.992 443 L CA -0.666 54.094 54.840 -0.134 0.000 0.817 443 L CB 2.152 44.088 42.059 -0.205 0.000 1.350 443 L HN 0.429 nan 8.230 nan 0.000 0.411 444 T N -3.070 111.448 114.554 -0.061 0.000 2.622 444 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 444 T C 0.882 175.569 174.700 -0.022 0.000 1.047 444 T CA 1.443 63.525 62.100 -0.030 0.000 1.159 444 T CB -0.506 68.353 68.868 -0.015 0.000 0.863 444 T HN 0.707 nan 8.240 nan 0.000 0.422 445 T N -0.564 113.979 114.554 -0.017 0.000 2.934 445 T HA 0.355 4.705 4.350 -0.000 0.000 0.283 445 T C 0.406 175.098 174.700 -0.013 0.000 1.005 445 T CA -0.769 61.326 62.100 -0.008 0.000 1.041 445 T CB 1.432 70.303 68.868 0.005 0.000 1.042 445 T HN 0.032 nan 8.240 nan 0.000 0.505 446 D N 0.062 120.457 120.400 -0.008 0.000 2.224 446 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 446 D C 1.712 178.010 176.300 -0.002 0.000 0.965 446 D CA 0.870 54.864 54.000 -0.009 0.000 0.852 446 D CB 0.110 40.905 40.800 -0.009 0.000 0.947 446 D HN 0.846 nan 8.370 nan 0.000 0.494 447 E N 1.033 121.237 120.200 0.006 0.000 2.047 447 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 447 E C 1.743 178.364 176.600 0.034 0.000 0.987 447 E CA 0.743 57.154 56.400 0.018 0.000 0.799 447 E CB 0.184 29.897 29.700 0.022 0.000 0.752 447 E HN 0.240 nan 8.360 nan 0.000 0.449 448 E N 0.244 120.464 120.200 0.033 0.000 2.118 448 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 448 E C 2.050 178.664 176.600 0.024 0.000 0.992 448 E CA 1.122 57.554 56.400 0.052 0.000 0.804 448 E CB 0.100 29.805 29.700 0.009 0.000 0.741 448 E HN 0.196 nan 8.360 nan 0.000 0.458 449 K N 0.420 120.814 120.400 -0.011 0.000 2.057 449 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 449 K C 2.155 178.762 176.600 0.012 0.000 1.050 449 K CA 1.169 57.444 56.287 -0.019 0.000 0.935 449 K CB -0.035 32.450 32.500 -0.026 0.000 0.715 449 K HN -0.081 nan 8.250 nan 0.000 0.439 450 E N 1.012 121.223 120.200 0.018 0.000 2.072 450 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 450 E C 1.808 178.441 176.600 0.054 0.000 0.985 450 E CA 1.467 57.880 56.400 0.021 0.000 0.801 450 E CB -0.062 29.640 29.700 0.005 0.000 0.750 450 E HN 0.113 nan 8.360 nan 0.000 0.452 451 S N 0.509 116.259 115.700 0.083 0.000 2.368 451 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 451 S C 1.864 176.583 174.600 0.197 0.000 1.030 451 S CA 1.078 59.357 58.200 0.131 0.000 0.999 451 S CB -0.464 62.825 63.200 0.148 0.000 0.844 451 S HN 0.289 nan 8.310 nan 0.000 0.459 452 L N 2.025 123.366 121.223 0.197 0.000 1.989 452 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 452 L C 2.236 179.214 176.870 0.179 0.000 1.071 452 L CA 1.700 56.662 54.840 0.203 0.000 0.749 452 L CB -0.645 41.450 42.059 0.059 0.000 0.890 452 L HN 0.148 nan 8.230 nan 0.000 0.431 453 V N -0.800 119.187 119.914 0.121 0.000 2.515 453 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 453 V C 2.425 178.627 176.094 0.180 0.000 1.058 453 V CA 1.328 63.701 62.300 0.123 0.000 1.064 453 V CB -0.526 31.334 31.823 0.062 0.000 0.675 453 V HN 0.394 nan 8.190 nan 0.000 0.461 454 L N -0.175 121.143 121.223 0.158 0.000 2.093 454 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 454 L C 2.562 179.605 176.870 0.289 0.000 1.085 454 L CA 1.800 56.750 54.840 0.184 0.000 0.755 454 L CB -0.732 41.390 42.059 0.105 0.000 0.904 454 L HN 0.258 nan 8.230 nan 0.000 0.435 455 S N -0.793 115.077 115.700 0.284 0.000 2.356 455 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 455 S C 1.807 176.602 174.600 0.325 0.000 1.032 455 S CA 1.026 59.412 58.200 0.310 0.000 1.005 455 S CB -0.277 63.180 63.200 0.428 0.000 0.867 455 S HN 0.230 nan 8.310 nan 0.000 0.449 456 L N 0.048 121.476 121.223 0.341 0.000 2.046 456 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 456 L C 1.933 178.936 176.870 0.221 0.000 1.077 456 L CA 1.429 56.434 54.840 0.274 0.000 0.747 456 L CB -1.445 40.747 42.059 0.221 0.000 0.896 456 L HN 0.524 nan 8.230 nan 0.000 0.432 457 W N 0.842 122.186 121.300 0.075 0.000 2.358 457 W HA -0.272 4.388 4.660 -0.000 0.000 0.303 457 W C 2.689 179.235 176.519 0.045 0.000 1.208 457 W CA 2.591 59.963 57.345 0.046 0.000 1.274 457 W CB -0.309 29.175 29.460 0.040 0.000 1.138 457 W HN 0.364 nan 8.180 nan 0.000 0.515 458 T N -1.875 112.795 114.554 0.192 0.000 2.929 458 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 458 T C 1.341 175.987 174.700 -0.090 0.000 1.085 458 T CA 1.562 63.670 62.100 0.015 0.000 1.125 458 T CB -0.301 68.666 68.868 0.166 0.000 0.874 458 T HN 0.074 nan 8.240 nan 0.000 0.494 459 E N -0.297 119.870 120.200 -0.055 0.000 2.472 459 E HA 0.218 4.568 4.350 -0.000 0.000 0.196 459 E C 1.025 177.469 176.600 -0.260 0.000 1.033 459 E CA 0.096 56.434 56.400 -0.103 0.000 0.886 459 E CB -0.330 29.346 29.700 -0.041 0.000 0.944 459 E HN 0.670 nan 8.360 nan 0.000 0.492 460 C N 0.030 119.174 119.300 -0.260 0.000 4.507 460 C HA -0.161 4.299 4.460 -0.000 0.000 0.285 460 C C 1.570 176.512 174.990 -0.080 0.000 1.335 460 C CA 0.147 59.028 59.018 -0.230 0.000 1.953 460 C CB -2.808 24.800 27.740 -0.220 0.000 1.262 460 C HN 0.410 nan 8.230 nan 0.000 0.776 461 L N -0.527 120.655 121.223 -0.069 0.000 2.509 461 L HA 0.237 4.577 4.340 -0.000 0.000 0.222 461 L C 0.907 177.764 176.870 -0.023 0.000 1.123 461 L CA 0.912 55.739 54.840 -0.023 0.000 0.856 461 L CB -0.240 41.811 42.059 -0.014 0.000 0.985 461 L HN 0.685 nan 8.230 nan 0.000 0.456 462 I N -3.965 116.620 120.570 0.025 0.000 2.689 462 I HA 0.482 4.652 4.170 -0.000 0.000 0.299 462 I C -0.659 175.515 176.117 0.095 0.000 1.059 462 I CA -0.562 60.766 61.300 0.047 0.000 1.055 462 I CB 1.832 39.882 38.000 0.083 0.000 1.243 462 I HN -0.169 nan 8.210 nan 0.000 0.425 463 Q N 3.141 122.972 119.800 0.051 0.000 2.337 463 Q HA 0.649 4.989 4.340 -0.000 0.000 0.266 463 Q C -1.596 174.441 176.000 0.063 0.000 1.023 463 Q CA -1.025 54.814 55.803 0.060 0.000 0.829 463 Q CB 2.666 31.389 28.738 -0.024 0.000 1.306 463 Q HN 0.738 nan 8.270 nan 0.000 0.449 464 V N 4.152 124.116 119.914 0.084 0.000 2.385 464 V HA 0.209 4.329 4.120 -0.000 0.000 0.269 464 V C 0.403 176.506 176.094 0.015 0.000 1.043 464 V CA -0.322 62.001 62.300 0.039 0.000 0.906 464 V CB 1.038 32.873 31.823 0.020 0.000 0.995 464 V HN 0.583 nan 8.190 nan 0.000 0.467 465 V N 0.000 119.914 119.914 -0.001 0.000 2.409 465 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 465 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 465 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 465 V HN 0.000 nan 8.190 nan 0.000 0.556