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 3lqr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLCEIECRAL STAHTRLIHD FEPRDALTYL EGKNIFTEDH SELISKMSTR DATA SEQUENCE LERIANFLRI YRRQASELGP LIDFFNYNNQ SHLADFLEDY IDFAINEPDL DATA SEQUENCE LRPVVIAPQF SRQMLDRKLL LGNVPKQMTC YIREYHVDRV IKKLDEMCDL DATA SEQUENCE DSFFLFLHGR AGSGKSVIAS QALSKSDQLI GINYDSIVWL KDSGTAPKST DATA SEQUENCE FDLFTDILLM LKSEDDLLNF PSVEHVTSVV LKRMICNALI DRPNTLFVFD DATA SEQUENCE DVVQEETIRW AQELRLRCLV TTRDVEISNA ASQTCEFIEV TSLEIDECYD DATA SEQUENCE FLEAYGMPMP VGEKEEDVLN KTIELSSGNP ATLMMFFKSC EPKTFEKMAQ DATA SEQUENCE LNNKLESRGL VGVECITPYS YKSLAMALQR CVEVLSDEDR SALAFAVVMP DATA SEQUENCE PGVDIPVKLW SCVIPVXXXX XXXEQLDDEV ADRLKRLSKR GALLSGKRMP DATA SEQUENCE VLTFKIDHII HMFLKHVVDA QTIANGISIL EQRLLEIXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX ETVIRPEDFP KFMQLHQKFY DSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.259 176.300 -0.069 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 L N 0.069 121.267 121.223 -0.042 0.000 2.739 2 L HA 0.754 5.093 4.340 -0.001 0.000 0.196 2 L C 0.165 177.042 176.870 0.012 0.000 1.405 2 L CA -0.056 54.777 54.840 -0.012 0.000 2.722 2 L CB 0.558 42.622 42.059 0.008 0.000 2.563 2 L HN 0.963 nan 8.230 nan 0.000 1.005 3 C N -2.385 116.932 119.300 0.030 0.000 3.132 3 C HA 0.107 4.566 4.460 -0.001 0.000 0.336 3 C C 1.135 176.157 174.990 0.053 0.000 1.387 3 C CA -0.300 58.741 59.018 0.038 0.000 1.202 3 C CB 0.858 28.622 27.740 0.040 0.000 1.451 3 C HN 0.857 nan 8.230 nan 0.000 0.433 4 E N 1.089 121.323 120.200 0.056 0.000 2.110 4 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 4 E C 1.490 178.146 176.600 0.093 0.000 0.988 4 E CA 1.800 58.239 56.400 0.065 0.000 0.804 4 E CB -0.077 29.659 29.700 0.060 0.000 0.745 4 E HN 0.710 nan 8.360 nan 0.000 0.458 5 I N 1.081 121.716 120.570 0.109 0.000 2.333 5 I HA -0.150 4.019 4.170 -0.001 0.000 0.246 5 I C 2.248 178.493 176.117 0.212 0.000 1.106 5 I CA 1.084 62.496 61.300 0.186 0.000 1.411 5 I CB -0.200 37.886 38.000 0.144 0.000 1.082 5 I HN 0.146 nan 8.210 nan 0.000 0.420 6 E N 0.028 120.311 120.200 0.139 0.000 2.204 6 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 6 E C 2.181 178.837 176.600 0.093 0.000 0.989 6 E CA 1.130 57.605 56.400 0.124 0.000 0.824 6 E CB -0.000 29.759 29.700 0.099 0.000 0.756 6 E HN 0.533 nan 8.360 nan 0.000 0.477 7 C N 0.042 119.387 119.300 0.075 0.000 2.551 7 C HA 0.123 4.583 4.460 -0.001 0.000 0.277 7 C C 2.436 177.441 174.990 0.026 0.000 1.349 7 C CA -0.290 58.761 59.018 0.055 0.000 1.750 7 C CB -0.573 27.197 27.740 0.049 0.000 2.058 7 C HN 0.353 nan 8.230 nan 0.000 0.518 8 R N 1.281 121.801 120.500 0.034 0.000 2.148 8 R HA -0.056 4.283 4.340 -0.001 0.000 0.227 8 R C 2.083 178.262 176.300 -0.202 0.000 1.103 8 R CA 1.347 57.449 56.100 0.003 0.000 0.983 8 R CB -0.152 30.221 30.300 0.122 0.000 0.874 8 R HN 0.519 nan 8.270 nan 0.000 0.451 9 A N 0.437 123.063 122.820 -0.324 0.000 1.930 9 A HA -0.025 4.294 4.320 -0.001 0.000 0.215 9 A C 1.984 179.431 177.584 -0.227 0.000 1.176 9 A CA 0.642 52.296 52.037 -0.638 0.000 0.632 9 A CB -0.197 18.553 19.000 -0.418 0.000 0.819 9 A HN 0.278 nan 8.150 nan 0.000 0.445 10 L N -0.190 120.986 121.223 -0.078 0.000 2.291 10 L HA -0.091 4.248 4.340 -0.001 0.000 0.214 10 L C 2.603 179.513 176.870 0.067 0.000 1.120 10 L CA 0.976 55.820 54.840 0.006 0.000 0.799 10 L CB -0.204 41.886 42.059 0.052 0.000 0.925 10 L HN 0.323 nan 8.230 nan 0.000 0.446 11 S N -0.879 114.824 115.700 0.005 0.000 2.345 11 S HA -0.137 4.332 4.470 -0.001 0.000 0.219 11 S C 2.010 176.609 174.600 -0.002 0.000 1.031 11 S CA 1.635 59.837 58.200 0.003 0.000 0.984 11 S CB -0.303 62.883 63.200 -0.024 0.000 0.874 11 S HN 0.362 nan 8.310 nan 0.000 0.451 12 T N 2.612 117.130 114.554 -0.061 0.000 2.652 12 T HA -0.038 4.311 4.350 -0.001 0.000 0.267 12 T C 1.122 175.775 174.700 -0.079 0.000 1.039 12 T CA 1.357 63.441 62.100 -0.027 0.000 1.153 12 T CB -0.420 68.433 68.868 -0.024 0.000 0.863 12 T HN 0.430 nan 8.240 nan 0.000 0.428 13 A N 0.606 123.335 122.820 -0.152 0.000 2.990 13 A HA 0.361 4.680 4.320 -0.001 0.000 0.282 13 A C 0.628 178.090 177.584 -0.204 0.000 1.688 13 A CA -0.031 51.775 52.037 -0.386 0.000 1.391 13 A CB -0.605 18.134 19.000 -0.434 0.000 1.112 13 A HN 0.648 nan 8.150 nan 0.000 0.588 14 H N 0.218 119.167 119.070 -0.202 0.000 2.926 14 H HA 0.066 4.622 4.556 -0.001 0.000 0.249 14 H C 1.592 176.880 175.328 -0.066 0.000 0.963 14 H CA 1.253 57.238 56.048 -0.104 0.000 1.158 14 H CB 0.907 30.639 29.762 -0.051 0.000 1.445 14 H HN 0.481 nan 8.280 nan 0.000 0.452 15 T N 0.729 115.294 114.554 0.018 0.000 3.227 15 T HA 0.031 4.380 4.350 -0.001 0.000 0.257 15 T C 1.567 176.233 174.700 -0.057 0.000 1.162 15 T CA 0.545 62.658 62.100 0.022 0.000 1.051 15 T CB 0.025 68.881 68.868 -0.020 0.000 0.953 15 T HN 0.290 nan 8.240 nan 0.000 0.535 16 R N -0.030 120.375 120.500 -0.158 0.000 2.167 16 R HA 0.317 4.656 4.340 -0.001 0.000 0.201 16 R C 1.750 177.972 176.300 -0.129 0.000 1.024 16 R CA 0.220 56.206 56.100 -0.192 0.000 1.053 16 R CB -0.093 30.015 30.300 -0.320 0.000 0.987 16 R HN 0.316 nan 8.270 nan 0.000 0.493 17 L N 1.070 122.171 121.223 -0.203 0.000 2.552 17 L HA 0.003 4.342 4.340 -0.001 0.000 0.227 17 L C 1.890 178.770 176.870 0.017 0.000 1.146 17 L CA 0.330 55.097 54.840 -0.121 0.000 0.858 17 L CB 0.024 41.915 42.059 -0.280 0.000 0.969 17 L HN 0.151 nan 8.230 nan 0.000 0.451 18 I N -1.030 119.536 120.570 -0.008 0.000 2.339 18 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 18 I C 2.378 178.527 176.117 0.054 0.000 1.096 18 I CA 1.301 62.632 61.300 0.051 0.000 1.408 18 I CB -0.843 37.215 38.000 0.096 0.000 1.092 18 I HN 0.264 nan 8.210 nan 0.000 0.423 19 H N 1.264 120.319 119.070 -0.025 0.000 2.357 19 H HA -0.059 4.496 4.556 -0.001 0.000 0.301 19 H C -0.029 175.298 175.328 -0.001 0.000 1.082 19 H CA 1.293 57.326 56.048 -0.024 0.000 1.342 19 H CB 0.011 29.741 29.762 -0.053 0.000 1.389 19 H HN 0.389 nan 8.280 nan 0.000 0.511 20 D N -1.072 119.413 120.400 0.141 0.000 2.470 20 D HA 0.183 4.822 4.640 -0.001 0.000 0.233 20 D C -1.040 175.405 176.300 0.242 0.000 1.372 20 D CA -0.725 53.357 54.000 0.137 0.000 0.994 20 D CB -0.076 40.798 40.800 0.124 0.000 1.377 20 D HN 0.232 nan 8.370 nan 0.000 0.586 21 F N 1.362 121.340 119.950 0.047 0.000 3.311 21 F HA 0.242 4.768 4.527 -0.001 0.000 0.335 21 F C -1.995 173.843 175.800 0.063 0.000 1.040 21 F CA -0.596 57.472 58.000 0.114 0.000 1.391 21 F CB 1.127 40.225 39.000 0.163 0.000 1.697 21 F HN 0.177 nan 8.300 nan 0.000 0.806 22 E N 8.463 128.420 120.200 -0.406 0.000 2.167 22 E HA 0.490 4.839 4.350 -0.001 0.000 0.284 22 E C -2.282 173.788 176.600 -0.884 0.000 1.016 22 E CA -2.420 53.651 56.400 -0.548 0.000 0.817 22 E CB 1.679 31.230 29.700 -0.249 0.000 1.080 22 E HN 0.323 nan 8.360 nan 0.000 0.397 23 P HA -0.125 nan 4.420 nan 0.000 0.216 23 P C 0.591 177.437 177.300 -0.758 0.000 1.153 23 P CA 1.231 63.651 63.100 -1.133 0.000 0.848 23 P CB 0.208 31.444 31.700 -0.773 0.000 0.787 24 R N -0.100 120.123 120.500 -0.461 0.000 2.133 24 R HA -0.177 4.162 4.340 -0.001 0.000 0.247 24 R C 1.713 177.871 176.300 -0.238 0.000 1.151 24 R CA 1.695 57.618 56.100 -0.294 0.000 0.971 24 R CB -1.201 28.988 30.300 -0.185 0.000 0.866 24 R HN 0.253 nan 8.270 nan 0.000 0.447 25 D N 0.344 120.628 120.400 -0.193 0.000 2.228 25 D HA -0.153 4.487 4.640 -0.001 0.000 0.203 25 D C 1.487 177.837 176.300 0.083 0.000 0.988 25 D CA 1.592 55.606 54.000 0.023 0.000 0.864 25 D CB -0.043 40.828 40.800 0.118 0.000 0.928 25 D HN 0.393 nan 8.370 nan 0.000 0.469 26 A N -0.404 122.177 122.820 -0.399 0.000 2.197 26 A HA 0.176 4.495 4.320 -0.001 0.000 0.210 26 A C 2.175 179.472 177.584 -0.478 0.000 1.180 26 A CA -0.209 51.298 52.037 -0.882 0.000 0.846 26 A CB -0.162 18.089 19.000 -1.249 0.000 0.884 26 A HN 0.104 nan 8.150 nan 0.000 0.487 27 L N -0.190 120.770 121.223 -0.439 0.000 1.990 27 L HA -0.217 4.122 4.340 -0.001 0.000 0.213 27 L C 2.743 179.471 176.870 -0.237 0.000 1.072 27 L CA 2.058 56.651 54.840 -0.411 0.000 0.755 27 L CB -0.939 40.938 42.059 -0.304 0.000 0.889 27 L HN 0.341 nan 8.230 nan 0.000 0.432 28 T N -1.688 112.810 114.554 -0.093 0.000 2.746 28 T HA -0.267 4.082 4.350 -0.001 0.000 0.267 28 T C 1.674 176.391 174.700 0.028 0.000 1.039 28 T CA 1.485 63.579 62.100 -0.010 0.000 1.142 28 T CB -0.405 68.495 68.868 0.053 0.000 0.866 28 T HN 0.324 nan 8.240 nan 0.000 0.444 29 Y N 0.778 121.054 120.300 -0.041 0.000 2.373 29 Y HA 0.175 4.724 4.550 -0.001 0.000 0.293 29 Y C 1.807 177.687 175.900 -0.033 0.000 1.129 29 Y CA 0.867 58.971 58.100 0.007 0.000 1.226 29 Y CB -0.079 38.477 38.460 0.161 0.000 1.000 29 Y HN 0.124 nan 8.280 nan 0.000 0.549 30 L N -0.570 120.632 121.223 -0.035 0.000 2.554 30 L HA 0.032 4.371 4.340 -0.001 0.000 0.225 30 L C 1.765 178.650 176.870 0.024 0.000 1.104 30 L CA 0.307 55.142 54.840 -0.007 0.000 0.866 30 L CB -0.085 42.013 42.059 0.066 0.000 1.047 30 L HN 0.180 nan 8.230 nan 0.000 0.468 31 E N 0.162 120.323 120.200 -0.065 0.000 2.204 31 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 31 E C 2.003 178.614 176.600 0.018 0.000 0.989 31 E CA 0.973 57.396 56.400 0.039 0.000 0.824 31 E CB 0.077 29.781 29.700 0.008 0.000 0.756 31 E HN 0.533 nan 8.360 nan 0.000 0.477 32 G N 1.643 110.411 108.800 -0.054 0.000 2.417 32 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.212 32 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.212 32 G C 1.288 176.124 174.900 -0.107 0.000 1.187 32 G CA -0.066 44.975 45.100 -0.097 0.000 0.804 32 G HN 0.042 nan 8.290 nan 0.000 0.534 33 K N 1.105 121.410 120.400 -0.157 0.000 2.699 33 K HA 0.023 4.342 4.320 -0.001 0.000 0.205 33 K C -0.122 176.475 176.600 -0.006 0.000 1.008 33 K CA 0.096 56.322 56.287 -0.101 0.000 1.100 33 K CB -0.598 31.837 32.500 -0.108 0.000 0.878 33 K HN 0.412 nan 8.250 nan 0.000 0.496 34 N N 0.770 119.478 118.700 0.013 0.000 2.667 34 N HA -0.200 4.539 4.740 -0.001 0.000 0.263 34 N C -0.328 175.209 175.510 0.046 0.000 1.038 34 N CA 0.151 53.222 53.050 0.035 0.000 0.749 34 N CB -0.744 37.749 38.487 0.009 0.000 0.892 34 N HN 0.308 nan 8.380 nan 0.000 0.546 35 I N -0.070 120.573 120.570 0.123 0.000 3.597 35 I HA 0.279 4.448 4.170 -0.001 0.000 0.323 35 I C -0.517 175.656 176.117 0.093 0.000 1.535 35 I CA 0.021 61.371 61.300 0.083 0.000 1.028 35 I CB 0.245 38.335 38.000 0.151 0.000 1.354 35 I HN 0.110 nan 8.210 nan 0.000 0.544 36 F N -0.105 119.812 119.950 -0.056 0.000 2.779 36 F HA 0.431 4.957 4.527 -0.001 0.000 0.316 36 F C -0.103 175.712 175.800 0.025 0.000 1.164 36 F CA -0.603 57.361 58.000 -0.060 0.000 0.924 36 F CB 2.082 41.104 39.000 0.036 0.000 1.348 36 F HN -0.187 nan 8.300 nan 0.000 0.467 37 T N -2.516 112.248 114.554 0.350 0.000 2.900 37 T HA 0.349 4.698 4.350 -0.001 0.000 0.295 37 T C 0.198 175.077 174.700 0.298 0.000 1.044 37 T CA -0.694 61.584 62.100 0.298 0.000 0.995 37 T CB 2.025 71.088 68.868 0.325 0.000 1.072 37 T HN 0.692 nan 8.240 nan 0.000 0.473 38 E N 0.781 121.088 120.200 0.178 0.000 2.160 38 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 38 E C 1.635 178.311 176.600 0.126 0.000 0.991 38 E CA 1.773 58.255 56.400 0.136 0.000 0.810 38 E CB 0.071 29.820 29.700 0.081 0.000 0.742 38 E HN 0.837 nan 8.360 nan 0.000 0.466 39 D N 0.085 120.545 120.400 0.100 0.000 2.097 39 D HA -0.224 4.416 4.640 -0.001 0.000 0.197 39 D C 1.742 178.087 176.300 0.074 0.000 0.984 39 D CA 1.073 55.099 54.000 0.044 0.000 0.826 39 D CB -0.692 40.092 40.800 -0.027 0.000 0.973 39 D HN 0.285 nan 8.370 nan 0.000 0.460 40 H N 1.407 120.562 119.070 0.143 0.000 2.265 40 H HA -0.148 4.407 4.556 -0.001 0.000 0.295 40 H C 2.691 178.207 175.328 0.313 0.000 1.084 40 H CA 2.378 58.556 56.048 0.218 0.000 1.261 40 H CB -0.319 29.587 29.762 0.241 0.000 1.360 40 H HN 0.361 nan 8.280 nan 0.000 0.487 41 S N 0.296 116.276 115.700 0.465 0.000 2.351 41 S HA -0.185 4.284 4.470 -0.001 0.000 0.220 41 S C 2.051 176.735 174.600 0.140 0.000 1.035 41 S CA 1.620 59.971 58.200 0.251 0.000 1.031 41 S CB -0.374 62.889 63.200 0.105 0.000 0.928 41 S HN 0.458 nan 8.310 nan 0.000 0.433 42 E N 0.681 120.945 120.200 0.108 0.000 2.110 42 E HA -0.092 4.258 4.350 -0.001 0.000 0.193 42 E C 2.132 178.776 176.600 0.072 0.000 0.988 42 E CA 0.926 57.364 56.400 0.063 0.000 0.804 42 E CB -0.240 29.488 29.700 0.047 0.000 0.745 42 E HN 0.500 nan 8.360 nan 0.000 0.458 43 L N 1.154 122.435 121.223 0.097 0.000 2.189 43 L HA -0.195 4.144 4.340 -0.001 0.000 0.214 43 L C 1.762 178.699 176.870 0.111 0.000 1.097 43 L CA 1.609 56.501 54.840 0.087 0.000 0.764 43 L CB -0.317 41.786 42.059 0.073 0.000 0.900 43 L HN 0.212 nan 8.230 nan 0.000 0.436 44 I N -1.440 119.218 120.570 0.147 0.000 3.939 44 I HA -0.074 4.095 4.170 -0.001 0.000 0.313 44 I C 2.436 178.583 176.117 0.050 0.000 1.274 44 I CA 0.721 62.104 61.300 0.137 0.000 1.301 44 I CB 0.033 38.180 38.000 0.245 0.000 1.105 44 I HN 0.181 nan 8.210 nan 0.000 0.427 45 S N 1.939 117.656 115.700 0.028 0.000 2.436 45 S HA -0.088 4.381 4.470 -0.001 0.000 0.228 45 S C 1.061 175.653 174.600 -0.012 0.000 1.014 45 S CA 0.292 58.480 58.200 -0.020 0.000 0.950 45 S CB -0.391 62.794 63.200 -0.026 0.000 0.784 45 S HN 0.426 nan 8.310 nan 0.000 0.504 46 K N 1.829 122.235 120.400 0.009 0.000 2.457 46 K HA 0.483 4.802 4.320 -0.001 0.000 0.226 46 K C -0.514 176.094 176.600 0.014 0.000 1.114 46 K CA -0.259 56.032 56.287 0.007 0.000 1.089 46 K CB 0.343 32.850 32.500 0.010 0.000 1.739 46 K HN 0.163 nan 8.250 nan 0.000 0.473 47 M N 0.432 120.037 119.600 0.008 0.000 2.662 47 M HA 0.324 4.803 4.480 -0.001 0.000 0.310 47 M C 0.640 176.942 176.300 0.003 0.000 1.204 47 M CA -0.696 54.612 55.300 0.014 0.000 0.891 47 M CB 1.738 34.352 32.600 0.023 0.000 1.732 47 M HN 0.293 nan 8.290 nan 0.000 0.467 48 S N 0.738 116.442 115.700 0.008 0.000 2.345 48 S HA 0.006 4.475 4.470 -0.001 0.000 0.219 48 S C 0.753 175.351 174.600 -0.003 0.000 1.031 48 S CA 1.054 59.256 58.200 0.003 0.000 0.984 48 S CB 0.122 63.327 63.200 0.007 0.000 0.874 48 S HN 0.787 nan 8.310 nan 0.000 0.451 49 T N 0.371 114.926 114.554 0.002 0.000 2.949 49 T HA 0.395 4.744 4.350 -0.001 0.000 0.287 49 T C 0.914 175.610 174.700 -0.007 0.000 1.034 49 T CA -0.728 61.370 62.100 -0.004 0.000 1.018 49 T CB 1.825 70.695 68.868 0.004 0.000 1.135 49 T HN 0.004 nan 8.240 nan 0.000 0.532 50 R N -0.201 120.289 120.500 -0.017 0.000 2.093 50 R HA 0.187 4.526 4.340 -0.001 0.000 0.224 50 R C 2.265 178.574 176.300 0.015 0.000 1.101 50 R CA 0.538 56.620 56.100 -0.029 0.000 0.979 50 R CB -0.345 29.921 30.300 -0.058 0.000 0.877 50 R HN 0.502 nan 8.270 nan 0.000 0.441 51 L N 0.788 122.032 121.223 0.035 0.000 2.189 51 L HA -0.239 4.100 4.340 -0.001 0.000 0.214 51 L C 1.752 178.678 176.870 0.093 0.000 1.097 51 L CA 1.382 56.267 54.840 0.075 0.000 0.764 51 L CB -0.114 41.984 42.059 0.066 0.000 0.900 51 L HN 0.186 nan 8.230 nan 0.000 0.436 52 E N -0.382 119.860 120.200 0.069 0.000 2.033 52 E HA -0.119 4.230 4.350 -0.001 0.000 0.189 52 E C 2.124 178.784 176.600 0.100 0.000 0.979 52 E CA 0.828 57.276 56.400 0.080 0.000 0.802 52 E CB -0.019 29.715 29.700 0.058 0.000 0.763 52 E HN 0.267 nan 8.360 nan 0.000 0.449 53 R N 0.125 120.662 120.500 0.062 0.000 2.328 53 R HA 0.013 4.352 4.340 -0.001 0.000 0.207 53 R C 1.648 178.011 176.300 0.105 0.000 1.056 53 R CA 0.642 56.772 56.100 0.051 0.000 1.016 53 R CB -0.090 30.179 30.300 -0.051 0.000 0.872 53 R HN 0.262 nan 8.270 nan 0.000 0.471 54 I N -0.990 119.673 120.570 0.156 0.000 2.899 54 I HA 0.013 4.183 4.170 -0.001 0.000 0.257 54 I C 2.277 178.598 176.117 0.340 0.000 1.115 54 I CA 0.436 61.916 61.300 0.300 0.000 1.451 54 I CB -0.259 37.897 38.000 0.261 0.000 1.251 54 I HN 0.067 nan 8.210 nan 0.000 0.456 55 A N 0.997 123.968 122.820 0.252 0.000 1.972 55 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 55 A C 1.968 179.680 177.584 0.214 0.000 1.169 55 A CA 1.760 53.933 52.037 0.227 0.000 0.635 55 A CB -0.583 18.520 19.000 0.171 0.000 0.810 55 A HN 0.372 nan 8.150 nan 0.000 0.446 56 N N -1.423 117.411 118.700 0.223 0.000 2.270 56 N HA -0.046 4.694 4.740 -0.001 0.000 0.181 56 N C 1.258 176.963 175.510 0.324 0.000 1.016 56 N CA 0.879 54.067 53.050 0.231 0.000 0.870 56 N CB -0.392 38.219 38.487 0.207 0.000 0.979 56 N HN 0.486 nan 8.380 nan 0.000 0.431 57 F N 1.109 121.190 119.950 0.219 0.000 2.234 57 F HA 0.116 4.642 4.527 -0.001 0.000 0.296 57 F C 1.937 177.906 175.800 0.282 0.000 1.089 57 F CA 0.686 58.861 58.000 0.291 0.000 1.343 57 F CB -0.264 38.911 39.000 0.292 0.000 1.040 57 F HN -0.075 nan 8.300 nan 0.000 0.498 58 L N -0.101 121.254 121.223 0.220 0.000 2.007 58 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 58 L C 2.781 179.708 176.870 0.095 0.000 1.073 58 L CA 1.548 56.457 54.840 0.114 0.000 0.744 58 L CB -0.731 41.443 42.059 0.191 0.000 0.898 58 L HN 0.004 nan 8.230 nan 0.000 0.435 59 R N 0.671 121.239 120.500 0.114 0.000 2.119 59 R HA -0.221 4.118 4.340 -0.001 0.000 0.246 59 R C 2.185 178.505 176.300 0.033 0.000 1.146 59 R CA 1.867 58.013 56.100 0.077 0.000 0.962 59 R CB -0.357 29.997 30.300 0.090 0.000 0.863 59 R HN 0.362 nan 8.270 nan 0.000 0.442 60 I N -0.269 120.320 120.570 0.032 0.000 2.500 60 I HA -0.223 3.946 4.170 -0.001 0.000 0.252 60 I C 2.014 177.989 176.117 -0.236 0.000 1.142 60 I CA 0.678 61.934 61.300 -0.073 0.000 1.451 60 I CB -0.213 37.772 38.000 -0.026 0.000 1.093 60 I HN 0.244 nan 8.210 nan 0.000 0.430 61 Y N 1.999 122.115 120.300 -0.307 0.000 2.200 61 Y HA -0.123 4.426 4.550 -0.001 0.000 0.290 61 Y C 2.328 178.097 175.900 -0.218 0.000 1.137 61 Y CA 1.399 59.289 58.100 -0.349 0.000 1.163 61 Y CB -0.121 38.084 38.460 -0.424 0.000 0.988 61 Y HN -0.039 nan 8.280 nan 0.000 0.518 62 R N 0.091 120.514 120.500 -0.128 0.000 2.357 62 R HA -0.054 4.285 4.340 -0.001 0.000 0.202 62 R C 1.731 177.918 176.300 -0.189 0.000 1.047 62 R CA 0.687 56.706 56.100 -0.136 0.000 1.034 62 R CB -0.074 30.215 30.300 -0.018 0.000 0.875 62 R HN 0.424 nan 8.270 nan 0.000 0.473 63 R N -0.656 119.693 120.500 -0.251 0.000 2.167 63 R HA 0.082 4.421 4.340 -0.001 0.000 0.201 63 R C 1.823 177.964 176.300 -0.265 0.000 1.024 63 R CA 0.339 56.314 56.100 -0.209 0.000 1.053 63 R CB 0.309 30.509 30.300 -0.166 0.000 0.987 63 R HN 0.140 nan 8.270 nan 0.000 0.493 64 Q N 0.139 119.701 119.800 -0.398 0.000 2.373 64 Q HA 0.243 4.582 4.340 -0.001 0.000 0.210 64 Q C 0.228 176.026 176.000 -0.336 0.000 0.913 64 Q CA 0.291 55.873 55.803 -0.368 0.000 0.911 64 Q CB 0.852 29.306 28.738 -0.474 0.000 1.040 64 Q HN 0.098 nan 8.270 nan 0.000 0.521 65 A N 0.878 123.404 122.820 -0.489 0.000 2.320 65 A HA 0.291 4.611 4.320 -0.001 0.000 0.287 65 A C 0.870 178.327 177.584 -0.212 0.000 1.181 65 A CA -0.263 51.551 52.037 -0.372 0.000 0.831 65 A CB 0.685 19.321 19.000 -0.608 0.000 1.102 65 A HN 0.096 nan 8.150 nan 0.000 0.513 66 S N 0.965 116.598 115.700 -0.112 0.000 2.584 66 S HA -0.032 4.438 4.470 -0.001 0.000 0.240 66 S C 0.677 175.254 174.600 -0.038 0.000 0.975 66 S CA 1.279 59.441 58.200 -0.065 0.000 0.949 66 S CB -0.438 62.741 63.200 -0.036 0.000 0.761 66 S HN 0.924 nan 8.310 nan 0.000 0.536 67 E N -0.369 119.810 120.200 -0.034 0.000 2.421 67 E HA 0.057 4.406 4.350 -0.001 0.000 0.276 67 E C -1.792 174.854 176.600 0.077 0.000 1.154 67 E CA -0.742 55.669 56.400 0.019 0.000 0.883 67 E CB -0.066 29.658 29.700 0.040 0.000 1.429 67 E HN 0.013 nan 8.360 nan 0.000 0.436 68 L N 1.929 123.231 121.223 0.132 0.000 2.314 68 L HA 0.595 4.934 4.340 -0.001 0.000 0.275 68 L C 0.186 177.164 176.870 0.180 0.000 1.068 68 L CA 1.014 55.985 54.840 0.219 0.000 0.894 68 L CB -0.337 41.846 42.059 0.208 0.000 1.275 68 L HN 0.863 nan 8.230 nan 0.000 0.432 69 G N 4.671 113.590 108.800 0.197 0.000 2.645 69 G HA2 0.110 4.070 3.960 -0.001 0.000 0.208 69 G HA3 0.110 4.070 3.960 -0.001 0.000 0.208 69 G C -1.748 173.269 174.900 0.195 0.000 1.264 69 G CA 0.199 45.399 45.100 0.166 0.000 0.586 69 G HN 0.440 nan 8.290 nan 0.000 0.952 70 P HA 0.108 nan 4.420 nan 0.000 0.274 70 P C 0.769 178.222 177.300 0.254 0.000 1.370 70 P CA 0.563 63.838 63.100 0.293 0.000 0.760 70 P CB 0.128 32.002 31.700 0.289 0.000 1.308 71 L N -2.094 119.214 121.223 0.142 0.000 3.017 71 L HA 0.134 4.473 4.340 -0.001 0.000 0.265 71 L C 1.237 178.147 176.870 0.066 0.000 1.128 71 L CA 0.501 55.326 54.840 -0.025 0.000 0.984 71 L CB 0.092 42.002 42.059 -0.248 0.000 1.464 71 L HN -0.147 nan 8.230 nan 0.000 0.556 72 I N 0.362 121.020 120.570 0.146 0.000 2.703 72 I HA -0.018 4.151 4.170 -0.001 0.000 0.259 72 I C 0.721 176.925 176.117 0.145 0.000 1.151 72 I CA 0.654 62.061 61.300 0.179 0.000 1.470 72 I CB -0.768 37.328 38.000 0.160 0.000 1.112 72 I HN 0.135 nan 8.210 nan 0.000 0.437 73 D N 0.489 120.982 120.400 0.155 0.000 2.652 73 D HA 0.000 4.640 4.640 -0.001 0.000 0.247 73 D C 0.991 177.356 176.300 0.109 0.000 1.232 73 D CA 0.342 54.437 54.000 0.157 0.000 0.863 73 D CB -0.114 40.822 40.800 0.227 0.000 1.023 73 D HN 0.326 nan 8.370 nan 0.000 0.474 74 F N -1.661 118.197 119.950 -0.153 0.000 2.300 74 F HA 0.157 4.683 4.527 -0.001 0.000 0.307 74 F C 1.162 176.773 175.800 -0.316 0.000 0.847 74 F CA -0.175 57.625 58.000 -0.334 0.000 1.076 74 F CB -0.112 38.590 39.000 -0.496 0.000 1.075 74 F HN -0.164 nan 8.300 nan 0.000 0.702 75 F N 1.731 121.607 119.950 -0.124 0.000 2.269 75 F HA -0.181 4.345 4.527 -0.001 0.000 0.301 75 F C 2.006 177.614 175.800 -0.320 0.000 1.082 75 F CA 1.153 58.988 58.000 -0.274 0.000 1.360 75 F CB -0.408 38.514 39.000 -0.130 0.000 1.041 75 F HN 0.068 nan 8.300 nan 0.000 0.512 76 N N 0.138 118.816 118.700 -0.037 0.000 2.039 76 N HA -0.254 4.486 4.740 -0.001 0.000 0.193 76 N C 1.754 177.193 175.510 -0.118 0.000 1.044 76 N CA 1.649 54.665 53.050 -0.055 0.000 0.847 76 N CB -1.093 37.402 38.487 0.013 0.000 1.030 76 N HN 0.408 nan 8.380 nan 0.000 0.422 77 Y N 0.873 121.015 120.300 -0.263 0.000 2.483 77 Y HA 0.016 4.565 4.550 -0.001 0.000 0.291 77 Y C 0.809 176.483 175.900 -0.377 0.000 1.143 77 Y CA 0.943 58.863 58.100 -0.300 0.000 1.289 77 Y CB -0.483 37.788 38.460 -0.315 0.000 0.983 77 Y HN -0.083 nan 8.280 nan 0.000 0.556 78 N N 1.410 119.531 118.700 -0.964 0.000 2.376 78 N HA 0.055 4.795 4.740 -0.001 0.000 0.249 78 N C -0.100 175.153 175.510 -0.428 0.000 1.140 78 N CA 0.236 52.719 53.050 -0.945 0.000 0.870 78 N CB -0.675 37.086 38.487 -1.210 0.000 1.124 78 N HN 0.324 nan 8.380 nan 0.000 0.505 79 N N -0.069 118.460 118.700 -0.285 0.000 2.815 79 N HA -0.236 4.504 4.740 -0.001 0.000 0.247 79 N C -0.559 174.830 175.510 -0.201 0.000 1.030 79 N CA 0.971 53.924 53.050 -0.162 0.000 0.881 79 N CB -0.711 37.719 38.487 -0.096 0.000 1.134 79 N HN 0.566 nan 8.380 nan 0.000 0.582 80 Q N -0.648 118.958 119.800 -0.324 0.000 2.341 80 Q HA 0.309 4.648 4.340 -0.001 0.000 0.325 80 Q C 0.914 176.544 176.000 -0.616 0.000 0.920 80 Q CA -0.170 55.246 55.803 -0.645 0.000 1.065 80 Q CB 0.319 28.897 28.738 -0.267 0.000 1.218 80 Q HN 0.196 nan 8.270 nan 0.000 0.434 81 S N 0.483 115.944 115.700 -0.399 0.000 2.440 81 S HA -0.172 4.297 4.470 -0.001 0.000 0.238 81 S C 1.577 176.076 174.600 -0.168 0.000 1.010 81 S CA 1.080 59.168 58.200 -0.187 0.000 0.972 81 S CB -0.327 62.827 63.200 -0.077 0.000 0.774 81 S HN 0.684 nan 8.310 nan 0.000 0.501 82 H N 0.546 119.595 119.070 -0.035 0.000 2.545 82 H HA 0.144 4.699 4.556 -0.001 0.000 0.282 82 H C 1.637 176.919 175.328 -0.077 0.000 1.020 82 H CA 0.632 56.655 56.048 -0.042 0.000 1.243 82 H CB -0.334 29.395 29.762 -0.055 0.000 1.377 82 H HN 0.374 nan 8.280 nan 0.000 0.581 83 L N 0.499 121.589 121.223 -0.221 0.000 2.185 83 L HA 0.168 4.507 4.340 -0.001 0.000 0.198 83 L C 2.978 179.767 176.870 -0.135 0.000 1.079 83 L CA 0.689 55.355 54.840 -0.290 0.000 0.780 83 L CB -0.547 41.028 42.059 -0.806 0.000 0.955 83 L HN 0.253 nan 8.230 nan 0.000 0.462 84 A N 0.025 122.814 122.820 -0.052 0.000 2.084 84 A HA -0.232 4.087 4.320 -0.001 0.000 0.221 84 A C 1.761 179.405 177.584 0.101 0.000 1.161 84 A CA 1.916 54.024 52.037 0.118 0.000 0.653 84 A CB -0.505 18.597 19.000 0.170 0.000 0.802 84 A HN 0.397 nan 8.150 nan 0.000 0.457 85 D N -1.322 119.124 120.400 0.077 0.000 2.137 85 D HA -0.068 4.571 4.640 -0.001 0.000 0.202 85 D C 1.587 177.958 176.300 0.118 0.000 0.970 85 D CA 0.908 54.962 54.000 0.089 0.000 0.837 85 D CB -0.436 40.410 40.800 0.075 0.000 0.981 85 D HN 0.498 nan 8.370 nan 0.000 0.475 86 F N 1.581 121.532 119.950 0.001 0.000 2.095 86 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 86 F C 2.162 177.993 175.800 0.052 0.000 1.104 86 F CA 1.316 59.320 58.000 0.007 0.000 1.232 86 F CB -0.161 38.815 39.000 -0.041 0.000 0.987 86 F HN -0.123 nan 8.300 nan 0.000 0.475 87 L N -0.172 121.219 121.223 0.280 0.000 2.093 87 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 87 L C 2.467 179.431 176.870 0.158 0.000 1.085 87 L CA 1.038 56.008 54.840 0.216 0.000 0.755 87 L CB -0.804 41.366 42.059 0.185 0.000 0.904 87 L HN 0.151 nan 8.230 nan 0.000 0.435 88 E N 0.391 120.666 120.200 0.125 0.000 2.077 88 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 88 E C 1.727 178.386 176.600 0.099 0.000 0.989 88 E CA 1.327 57.791 56.400 0.106 0.000 0.800 88 E CB -0.215 29.538 29.700 0.088 0.000 0.746 88 E HN 0.510 nan 8.360 nan 0.000 0.452 89 D N -0.125 120.312 120.400 0.061 0.000 2.144 89 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 89 D C 1.815 178.192 176.300 0.128 0.000 0.984 89 D CA 0.776 54.828 54.000 0.086 0.000 0.834 89 D CB -0.435 40.320 40.800 -0.076 0.000 0.955 89 D HN 0.253 nan 8.370 nan 0.000 0.465 90 Y N 0.943 121.177 120.300 -0.108 0.000 2.314 90 Y HA -0.028 4.521 4.550 -0.001 0.000 0.293 90 Y C 2.209 178.136 175.900 0.045 0.000 1.129 90 Y CA 0.765 58.820 58.100 -0.076 0.000 1.201 90 Y CB -0.051 38.344 38.460 -0.108 0.000 0.999 90 Y HN -0.101 nan 8.280 nan 0.000 0.541 91 I N -0.428 120.266 120.570 0.205 0.000 2.394 91 I HA -0.277 3.892 4.170 -0.001 0.000 0.251 91 I C 1.462 177.608 176.117 0.048 0.000 1.136 91 I CA 1.527 62.906 61.300 0.132 0.000 1.425 91 I CB -0.170 37.906 38.000 0.127 0.000 1.079 91 I HN 0.242 nan 8.210 nan 0.000 0.425 92 D N 0.535 120.971 120.400 0.061 0.000 2.123 92 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 92 D C 1.428 177.643 176.300 -0.141 0.000 0.976 92 D CA 1.339 55.317 54.000 -0.036 0.000 0.831 92 D CB -0.153 40.617 40.800 -0.050 0.000 0.974 92 D HN 0.324 nan 8.370 nan 0.000 0.469 93 F N 0.057 119.902 119.950 -0.176 0.000 2.695 93 F HA 0.244 4.770 4.527 -0.001 0.000 0.301 93 F C 1.541 177.196 175.800 -0.242 0.000 1.182 93 F CA -0.312 57.564 58.000 -0.205 0.000 1.412 93 F CB 0.319 39.174 39.000 -0.242 0.000 1.056 93 F HN -0.074 nan 8.300 nan 0.000 0.522 94 A N -0.102 122.666 122.820 -0.086 0.000 1.937 94 A HA 0.209 4.529 4.320 -0.001 0.000 0.198 94 A C 1.668 179.214 177.584 -0.063 0.000 1.635 94 A CA 0.119 52.097 52.037 -0.098 0.000 1.111 94 A CB -0.191 18.736 19.000 -0.121 0.000 1.165 94 A HN 0.327 nan 8.150 nan 0.000 0.460 95 I N -3.665 116.872 120.570 -0.055 0.000 3.462 95 I HA 0.228 4.398 4.170 -0.001 0.000 0.290 95 I C 1.248 177.325 176.117 -0.067 0.000 1.236 95 I CA 0.720 61.993 61.300 -0.045 0.000 1.418 95 I CB -0.003 37.985 38.000 -0.021 0.000 1.102 95 I HN 0.032 nan 8.210 nan 0.000 0.441 96 N N 1.549 120.185 118.700 -0.106 0.000 2.622 96 N HA 0.119 4.858 4.740 -0.001 0.000 0.213 96 N C -0.040 175.380 175.510 -0.150 0.000 1.037 96 N CA 0.706 53.678 53.050 -0.131 0.000 0.999 96 N CB 0.221 38.602 38.487 -0.176 0.000 1.342 96 N HN 0.407 nan 8.380 nan 0.000 0.465 97 E N 1.806 121.878 120.200 -0.213 0.000 2.063 97 E HA 0.342 4.691 4.350 -0.001 0.000 0.265 97 E C -2.486 174.046 176.600 -0.114 0.000 0.919 97 E CA -1.831 54.447 56.400 -0.203 0.000 0.756 97 E CB 1.618 31.094 29.700 -0.373 0.000 1.120 97 E HN 0.161 nan 8.360 nan 0.000 0.414 98 P HA 0.101 nan 4.420 nan 0.000 0.275 98 P C -0.079 177.200 177.300 -0.035 0.000 1.227 98 P CA 0.087 63.154 63.100 -0.055 0.000 0.781 98 P CB 0.849 32.518 31.700 -0.052 0.000 0.906 99 D N -0.074 120.308 120.400 -0.031 0.000 2.894 99 D HA -0.175 4.464 4.640 -0.001 0.000 0.222 99 D C 1.098 177.402 176.300 0.008 0.000 1.172 99 D CA 0.788 54.774 54.000 -0.024 0.000 1.979 99 D CB -1.329 39.457 40.800 -0.024 0.000 1.320 99 D HN 0.283 nan 8.370 nan 0.000 0.570 100 L N 1.786 123.051 121.223 0.069 0.000 2.549 100 L HA 0.011 4.350 4.340 -0.001 0.000 0.230 100 L C 2.118 179.075 176.870 0.145 0.000 1.162 100 L CA 1.135 56.071 54.840 0.159 0.000 0.834 100 L CB -0.406 41.822 42.059 0.281 0.000 0.947 100 L HN 0.269 nan 8.230 nan 0.000 0.452 101 L N -0.613 120.650 121.223 0.068 0.000 2.027 101 L HA -0.151 4.188 4.340 -0.001 0.000 0.206 101 L C 2.615 179.388 176.870 -0.163 0.000 1.074 101 L CA 1.677 56.448 54.840 -0.114 0.000 0.745 101 L CB -0.587 41.373 42.059 -0.165 0.000 0.898 101 L HN 0.235 nan 8.230 nan 0.000 0.433 102 R N -0.486 119.958 120.500 -0.094 0.000 2.066 102 R HA -0.096 4.244 4.340 -0.001 0.000 0.232 102 R C -0.288 175.974 176.300 -0.064 0.000 1.131 102 R CA 1.747 57.806 56.100 -0.068 0.000 0.955 102 R CB -1.585 28.678 30.300 -0.062 0.000 0.851 102 R HN 0.396 nan 8.270 nan 0.000 0.432 103 P HA -0.080 nan 4.420 nan 0.000 0.216 103 P C 1.124 178.373 177.300 -0.084 0.000 1.153 103 P CA 1.035 64.103 63.100 -0.054 0.000 0.844 103 P CB 0.181 31.860 31.700 -0.034 0.000 0.787 104 V N -1.028 118.787 119.914 -0.164 0.000 2.391 104 V HA -0.031 4.089 4.120 -0.001 0.000 0.237 104 V C 1.595 177.488 176.094 -0.335 0.000 1.046 104 V CA 1.224 63.356 62.300 -0.279 0.000 1.053 104 V CB -0.688 30.834 31.823 -0.502 0.000 0.704 104 V HN -0.208 nan 8.190 nan 0.000 0.475 105 V N 0.258 119.889 119.914 -0.472 0.000 3.023 105 V HA 0.379 4.498 4.120 -0.001 0.000 0.384 105 V C 0.594 176.637 176.094 -0.085 0.000 1.289 105 V CA 0.684 62.742 62.300 -0.404 0.000 1.383 105 V CB -0.105 31.322 31.823 -0.660 0.000 1.388 105 V HN 0.409 nan 8.190 nan 0.000 0.551 106 I N -0.750 119.821 120.570 0.002 0.000 4.272 106 I HA 0.130 4.299 4.170 -0.001 0.000 0.283 106 I C 2.231 178.410 176.117 0.103 0.000 1.104 106 I CA 0.899 62.263 61.300 0.107 0.000 1.336 106 I CB -0.020 38.025 38.000 0.075 0.000 1.833 106 I HN 0.189 nan 8.210 nan 0.000 0.429 107 A N 1.877 124.734 122.820 0.061 0.000 1.930 107 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 107 A C -0.794 176.874 177.584 0.140 0.000 1.175 107 A CA 1.614 53.708 52.037 0.095 0.000 0.627 107 A CB -1.837 17.189 19.000 0.044 0.000 0.815 107 A HN 0.283 nan 8.150 nan 0.000 0.443 108 P HA -0.033 nan 4.420 nan 0.000 0.242 108 P C 0.302 177.634 177.300 0.054 0.000 1.198 108 P CA 1.054 64.197 63.100 0.072 0.000 0.756 108 P CB 0.055 31.784 31.700 0.048 0.000 0.911 109 Q N -2.437 117.410 119.800 0.077 0.000 2.164 109 Q HA 0.192 4.531 4.340 -0.001 0.000 0.226 109 Q C 0.328 176.342 176.000 0.023 0.000 0.813 109 Q CA -0.465 55.350 55.803 0.020 0.000 0.978 109 Q CB -0.205 28.547 28.738 0.023 0.000 1.149 109 Q HN 0.262 nan 8.270 nan 0.000 0.489 110 F N 1.165 121.116 119.950 0.003 0.000 2.579 110 F HA 0.066 4.593 4.527 -0.001 0.000 0.397 110 F C -0.109 175.687 175.800 -0.006 0.000 1.027 110 F CA 0.376 58.376 58.000 -0.000 0.000 1.217 110 F CB 0.559 39.558 39.000 -0.000 0.000 0.986 110 F HN -0.162 nan 8.300 nan 0.000 0.551 111 S N 6.013 121.561 115.700 -0.253 0.000 2.779 111 S HA 0.273 4.742 4.470 -0.001 0.000 0.293 111 S C 0.515 175.043 174.600 -0.121 0.000 1.150 111 S CA -0.936 57.024 58.200 -0.401 0.000 1.057 111 S CB 1.073 64.160 63.200 -0.189 0.000 1.021 111 S HN 0.847 nan 8.310 nan 0.000 0.485 112 R N 2.633 123.052 120.500 -0.134 0.000 2.316 112 R HA -0.001 4.338 4.340 -0.001 0.000 0.202 112 R C 1.607 177.927 176.300 0.033 0.000 1.029 112 R CA 0.941 57.114 56.100 0.120 0.000 1.018 112 R CB 0.004 30.410 30.300 0.176 0.000 0.888 112 R HN 0.824 nan 8.270 nan 0.000 0.471 113 Q N -1.841 117.943 119.800 -0.026 0.000 2.408 113 Q HA 0.039 4.378 4.340 -0.001 0.000 0.205 113 Q C 1.435 177.428 176.000 -0.010 0.000 0.919 113 Q CA 0.389 56.180 55.803 -0.020 0.000 0.932 113 Q CB 0.149 28.864 28.738 -0.039 0.000 1.058 113 Q HN 0.259 nan 8.270 nan 0.000 0.517 114 M N 0.129 119.727 119.600 -0.004 0.000 2.534 114 M HA 0.125 4.604 4.480 -0.001 0.000 0.263 114 M C 1.828 178.142 176.300 0.023 0.000 1.152 114 M CA 0.201 55.505 55.300 0.006 0.000 1.145 114 M CB 0.263 32.864 32.600 0.003 0.000 1.333 114 M HN 0.130 nan 8.290 nan 0.000 0.477 115 L N 0.856 122.107 121.223 0.048 0.000 1.915 115 L HA -0.331 4.008 4.340 -0.001 0.000 0.225 115 L C 1.855 178.731 176.870 0.010 0.000 1.084 115 L CA 1.874 56.738 54.840 0.041 0.000 0.788 115 L CB -0.899 41.194 42.059 0.057 0.000 0.892 115 L HN 0.330 nan 8.230 nan 0.000 0.434 116 D N -0.365 120.038 120.400 0.005 0.000 3.000 116 D HA -0.311 4.328 4.640 -0.001 0.000 0.196 116 D C 1.929 178.217 176.300 -0.019 0.000 1.110 116 D CA 2.049 56.041 54.000 -0.013 0.000 0.873 116 D CB -0.644 40.151 40.800 -0.009 0.000 0.948 116 D HN 0.399 nan 8.370 nan 0.000 0.496 117 R N 0.750 121.243 120.500 -0.012 0.000 2.113 117 R HA -0.125 4.214 4.340 -0.001 0.000 0.231 117 R C 2.501 178.790 176.300 -0.017 0.000 1.129 117 R CA 1.697 57.789 56.100 -0.014 0.000 0.915 117 R CB -0.357 29.939 30.300 -0.008 0.000 0.837 117 R HN 0.236 nan 8.270 nan 0.000 0.430 118 K N 0.677 121.070 120.400 -0.012 0.000 2.089 118 K HA -0.179 4.140 4.320 -0.001 0.000 0.210 118 K C 2.175 178.759 176.600 -0.026 0.000 1.048 118 K CA 1.494 57.771 56.287 -0.015 0.000 0.926 118 K CB -0.283 32.214 32.500 -0.005 0.000 0.714 118 K HN 0.169 nan 8.250 nan 0.000 0.448 119 L N 0.222 121.425 121.223 -0.033 0.000 2.027 119 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 119 L C 2.400 179.224 176.870 -0.077 0.000 1.074 119 L CA 0.691 55.494 54.840 -0.061 0.000 0.745 119 L CB -0.500 41.517 42.059 -0.070 0.000 0.898 119 L HN 0.207 nan 8.230 nan 0.000 0.433 120 L N 0.121 121.307 121.223 -0.062 0.000 2.127 120 L HA -0.197 4.142 4.340 -0.001 0.000 0.211 120 L C 2.087 178.927 176.870 -0.050 0.000 1.089 120 L CA 1.791 56.593 54.840 -0.063 0.000 0.757 120 L CB -0.317 41.715 42.059 -0.045 0.000 0.899 120 L HN 0.154 nan 8.230 nan 0.000 0.434 121 L N -1.519 119.684 121.223 -0.034 0.000 2.477 121 L HA 0.216 4.555 4.340 -0.001 0.000 0.220 121 L C 2.208 179.074 176.870 -0.006 0.000 1.106 121 L CA 0.586 55.416 54.840 -0.017 0.000 0.851 121 L CB -0.747 41.305 42.059 -0.012 0.000 0.994 121 L HN 0.288 nan 8.230 nan 0.000 0.462 122 G N -0.795 107.995 108.800 -0.016 0.000 2.920 122 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.208 122 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.208 122 G C 0.542 175.457 174.900 0.026 0.000 1.159 122 G CA -0.074 45.033 45.100 0.012 0.000 0.784 122 G HN 0.565 nan 8.290 nan 0.000 0.535 123 N N -1.218 117.463 118.700 -0.033 0.000 2.721 123 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 123 N C -0.180 175.158 175.510 -0.286 0.000 1.072 123 N CA -0.062 52.942 53.050 -0.077 0.000 0.710 123 N CB -0.867 37.639 38.487 0.032 0.000 0.993 123 N HN 0.143 nan 8.380 nan 0.000 0.547 124 V N 0.813 120.515 119.914 -0.353 0.000 2.637 124 V HA 0.227 4.346 4.120 -0.001 0.000 0.296 124 V C -1.444 174.300 176.094 -0.584 0.000 1.046 124 V CA -0.649 61.226 62.300 -0.708 0.000 1.066 124 V CB 0.885 32.436 31.823 -0.454 0.000 0.968 124 V HN 0.057 nan 8.190 nan 0.000 0.483 125 P HA 0.249 nan 4.420 nan 0.000 0.278 125 P C -0.550 176.579 177.300 -0.284 0.000 1.258 125 P CA -0.902 61.956 63.100 -0.404 0.000 0.811 125 P CB 0.554 32.037 31.700 -0.361 0.000 1.063 126 K N 1.967 122.268 120.400 -0.165 0.000 2.472 126 K HA -0.020 4.299 4.320 -0.001 0.000 0.280 126 K C 0.445 176.987 176.600 -0.095 0.000 1.028 126 K CA 0.247 56.468 56.287 -0.110 0.000 1.045 126 K CB 0.280 32.742 32.500 -0.064 0.000 0.902 126 K HN 0.507 nan 8.250 nan 0.000 0.478 127 Q N 3.031 122.781 119.800 -0.083 0.000 2.584 127 Q HA 0.074 4.414 4.340 -0.001 0.000 0.235 127 Q C -0.086 175.905 176.000 -0.014 0.000 1.079 127 Q CA -0.082 55.692 55.803 -0.050 0.000 0.977 127 Q CB 0.522 29.238 28.738 -0.038 0.000 1.293 127 Q HN 0.363 nan 8.270 nan 0.000 0.553 128 M N 1.558 121.164 119.600 0.010 0.000 2.233 128 M HA 0.130 4.609 4.480 -0.001 0.000 0.355 128 M C 0.224 176.550 176.300 0.043 0.000 1.191 128 M CA 0.022 55.348 55.300 0.043 0.000 1.101 128 M CB 1.517 34.162 32.600 0.074 0.000 1.592 128 M HN 0.927 nan 8.290 nan 0.000 0.461 129 T N 1.359 115.946 114.554 0.056 0.000 2.904 129 T HA -0.010 4.339 4.350 -0.001 0.000 0.243 129 T C 1.409 176.116 174.700 0.011 0.000 1.024 129 T CA 0.871 62.988 62.100 0.029 0.000 1.158 129 T CB 0.025 68.912 68.868 0.032 0.000 0.867 129 T HN 0.777 nan 8.240 nan 0.000 0.429 130 C N 0.933 120.246 119.300 0.022 0.000 2.576 130 C HA 0.406 4.866 4.460 -0.001 0.000 0.267 130 C C 0.110 175.007 174.990 -0.154 0.000 1.364 130 C CA -0.800 58.141 59.018 -0.129 0.000 1.723 130 C CB -1.704 25.881 27.740 -0.259 0.000 1.778 130 C HN 0.575 nan 8.230 nan 0.000 0.572 131 Y N -0.570 119.654 120.300 -0.126 0.000 2.521 131 Y HA 0.645 5.195 4.550 -0.001 0.000 0.332 131 Y C -1.708 174.157 175.900 -0.058 0.000 1.121 131 Y CA -1.574 56.476 58.100 -0.085 0.000 1.037 131 Y CB 0.660 39.102 38.460 -0.029 0.000 1.330 131 Y HN 0.018 nan 8.280 nan 0.000 0.452 132 I N 5.435 125.712 120.570 -0.489 0.000 2.548 132 I HA 0.407 4.576 4.170 -0.001 0.000 0.287 132 I C -0.587 175.322 176.117 -0.348 0.000 1.103 132 I CA -0.600 60.557 61.300 -0.238 0.000 1.049 132 I CB 2.004 39.918 38.000 -0.143 0.000 1.232 132 I HN 0.566 nan 8.210 nan 0.000 0.429 133 R N 5.641 126.145 120.500 0.006 0.000 2.387 133 R HA 0.125 4.464 4.340 -0.001 0.000 0.321 133 R C 0.821 177.174 176.300 0.088 0.000 1.174 133 R CA -0.073 56.096 56.100 0.115 0.000 1.002 133 R CB 0.440 30.896 30.300 0.260 0.000 1.028 133 R HN 0.579 nan 8.270 nan 0.000 0.482 134 E N 3.108 123.329 120.200 0.035 0.000 1.995 134 E HA -0.326 4.023 4.350 -0.001 0.000 0.207 134 E C 1.208 177.894 176.600 0.143 0.000 1.016 134 E CA 1.404 57.836 56.400 0.052 0.000 0.865 134 E CB -0.742 28.968 29.700 0.016 0.000 0.797 134 E HN 0.606 nan 8.360 nan 0.000 0.491 135 Y N 1.650 121.938 120.300 -0.020 0.000 2.066 135 Y HA -0.376 4.173 4.550 -0.001 0.000 0.235 135 Y C 2.399 178.220 175.900 -0.131 0.000 1.262 135 Y CA 2.495 60.536 58.100 -0.098 0.000 1.032 135 Y CB -1.364 37.005 38.460 -0.152 0.000 0.832 135 Y HN 0.317 nan 8.280 nan 0.000 0.520 136 H N -1.707 117.395 119.070 0.053 0.000 2.284 136 H HA -0.054 4.502 4.556 -0.001 0.000 0.304 136 H C 2.361 177.685 175.328 -0.007 0.000 1.069 136 H CA 1.939 57.938 56.048 -0.081 0.000 1.327 136 H CB -0.686 29.014 29.762 -0.102 0.000 1.387 136 H HN 0.183 nan 8.280 nan 0.000 0.498 137 V N 1.313 121.316 119.914 0.148 0.000 2.370 137 V HA -0.296 3.823 4.120 -0.001 0.000 0.252 137 V C 1.544 177.678 176.094 0.066 0.000 1.068 137 V CA 2.099 64.453 62.300 0.089 0.000 1.061 137 V CB -0.417 31.445 31.823 0.065 0.000 0.656 137 V HN 0.466 nan 8.190 nan 0.000 0.455 138 D N -0.074 120.367 120.400 0.068 0.000 2.077 138 D HA -0.112 4.528 4.640 -0.001 0.000 0.196 138 D C 2.396 178.727 176.300 0.051 0.000 0.986 138 D CA 1.210 55.243 54.000 0.054 0.000 0.829 138 D CB -0.368 40.468 40.800 0.060 0.000 0.983 138 D HN 0.337 nan 8.370 nan 0.000 0.453 139 R N 0.444 120.974 120.500 0.050 0.000 2.119 139 R HA -0.139 4.200 4.340 -0.001 0.000 0.246 139 R C 2.323 178.647 176.300 0.039 0.000 1.146 139 R CA 0.988 57.108 56.100 0.033 0.000 0.962 139 R CB -0.595 29.687 30.300 -0.031 0.000 0.863 139 R HN 0.102 nan 8.270 nan 0.000 0.442 140 V N 1.463 121.407 119.914 0.048 0.000 2.214 140 V HA -0.296 3.823 4.120 -0.001 0.000 0.245 140 V C 2.312 178.437 176.094 0.053 0.000 1.047 140 V CA 2.116 64.449 62.300 0.055 0.000 0.998 140 V CB -0.521 31.338 31.823 0.061 0.000 0.633 140 V HN 0.307 nan 8.190 nan 0.000 0.446 141 I N -0.016 120.584 120.570 0.050 0.000 2.185 141 I HA -0.355 3.814 4.170 -0.001 0.000 0.246 141 I C 2.634 178.777 176.117 0.044 0.000 1.088 141 I CA 2.217 63.546 61.300 0.048 0.000 1.347 141 I CB -0.582 37.439 38.000 0.035 0.000 1.041 141 I HN 0.415 nan 8.210 nan 0.000 0.415 142 K N 1.645 122.065 120.400 0.034 0.000 1.991 142 K HA -0.214 4.105 4.320 -0.001 0.000 0.212 142 K C 1.947 178.560 176.600 0.021 0.000 1.049 142 K CA 1.513 57.814 56.287 0.023 0.000 0.932 142 K CB -0.077 32.438 32.500 0.024 0.000 0.717 142 K HN 0.122 nan 8.250 nan 0.000 0.441 143 K N 0.873 121.291 120.400 0.030 0.000 2.585 143 K HA -0.083 4.236 4.320 -0.001 0.000 0.194 143 K C 1.907 178.522 176.600 0.024 0.000 1.037 143 K CA 0.593 56.894 56.287 0.023 0.000 0.964 143 K CB 0.032 32.556 32.500 0.040 0.000 0.787 143 K HN 0.309 nan 8.250 nan 0.000 0.488 144 L N -0.163 121.093 121.223 0.056 0.000 2.262 144 L HA -0.058 4.281 4.340 -0.001 0.000 0.197 144 L C 2.226 179.164 176.870 0.114 0.000 1.073 144 L CA 0.525 55.438 54.840 0.122 0.000 0.800 144 L CB -0.284 41.874 42.059 0.164 0.000 0.987 144 L HN 0.059 nan 8.230 nan 0.000 0.470 145 D N 0.683 121.122 120.400 0.064 0.000 2.190 145 D HA -0.236 4.403 4.640 -0.001 0.000 0.200 145 D C 1.777 178.037 176.300 -0.068 0.000 0.992 145 D CA 1.307 55.301 54.000 -0.010 0.000 0.854 145 D CB 0.196 40.985 40.800 -0.017 0.000 0.936 145 D HN 0.366 nan 8.370 nan 0.000 0.462 146 E N -0.818 119.346 120.200 -0.061 0.000 2.204 146 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 146 E C 1.781 178.286 176.600 -0.159 0.000 0.990 146 E CA 0.774 57.119 56.400 -0.091 0.000 0.821 146 E CB 0.046 29.705 29.700 -0.069 0.000 0.750 146 E HN 0.497 nan 8.360 nan 0.000 0.477 147 M N -0.513 118.950 119.600 -0.229 0.000 2.306 147 M HA 0.116 4.596 4.480 -0.001 0.000 0.292 147 M C 2.187 178.274 176.300 -0.356 0.000 1.018 147 M CA -0.057 54.987 55.300 -0.427 0.000 1.007 147 M CB 0.191 32.231 32.600 -0.934 0.000 1.510 147 M HN 0.172 nan 8.290 nan 0.000 0.537 148 C N 0.268 119.412 119.300 -0.260 0.000 2.421 148 C HA -0.117 4.342 4.460 -0.001 0.000 0.296 148 C C 1.286 176.077 174.990 -0.332 0.000 1.470 148 C CA 1.065 59.764 59.018 -0.531 0.000 1.779 148 C CB -1.448 25.744 27.740 -0.913 0.000 1.715 148 C HN 0.487 nan 8.230 nan 0.000 0.564 149 D N 0.793 121.064 120.400 -0.216 0.000 2.197 149 D HA 0.145 4.785 4.640 -0.001 0.000 0.212 149 D C 1.002 177.250 176.300 -0.086 0.000 0.963 149 D CA 0.005 53.924 54.000 -0.135 0.000 0.864 149 D CB -0.279 40.453 40.800 -0.113 0.000 1.009 149 D HN 0.453 nan 8.370 nan 0.000 0.479 150 L N 1.810 122.962 121.223 -0.118 0.000 2.613 150 L HA -0.119 4.220 4.340 -0.001 0.000 0.304 150 L C 0.575 177.475 176.870 0.050 0.000 1.266 150 L CA 0.342 55.141 54.840 -0.068 0.000 0.868 150 L CB 0.548 42.490 42.059 -0.194 0.000 1.111 150 L HN 0.171 nan 8.230 nan 0.000 0.515 151 D N 0.696 121.150 120.400 0.089 0.000 2.350 151 D HA 0.065 4.704 4.640 -0.001 0.000 0.213 151 D C 0.264 176.661 176.300 0.160 0.000 1.031 151 D CA 0.488 54.555 54.000 0.112 0.000 0.861 151 D CB 0.606 41.451 40.800 0.075 0.000 0.926 151 D HN 0.352 nan 8.370 nan 0.000 0.520 152 S N -0.349 115.498 115.700 0.245 0.000 2.714 152 S HA 0.433 4.903 4.470 -0.001 0.000 0.297 152 S C -1.943 172.841 174.600 0.306 0.000 0.993 152 S CA -1.014 57.309 58.200 0.205 0.000 0.844 152 S CB -0.090 63.165 63.200 0.091 0.000 1.043 152 S HN 0.205 nan 8.310 nan 0.000 0.457 153 F N 0.809 120.660 119.950 -0.166 0.000 2.829 153 F HA 0.749 5.276 4.527 -0.001 0.000 0.319 153 F C -2.496 173.079 175.800 -0.375 0.000 1.153 153 F CA -1.343 56.575 58.000 -0.137 0.000 0.912 153 F CB 0.483 39.445 39.000 -0.064 0.000 1.292 153 F HN 0.421 nan 8.300 nan 0.000 0.447 154 F N 3.120 122.999 119.950 -0.117 0.000 2.445 154 F HA 0.520 5.047 4.527 -0.001 0.000 0.348 154 F C -0.600 174.936 175.800 -0.439 0.000 1.125 154 F CA -0.691 57.051 58.000 -0.429 0.000 0.983 154 F CB 1.922 40.640 39.000 -0.470 0.000 1.198 154 F HN 0.548 nan 8.300 nan 0.000 0.436 155 L N 5.182 126.220 121.223 -0.309 0.000 2.255 155 L HA 0.437 4.777 4.340 -0.001 0.000 0.289 155 L C -1.171 175.561 176.870 -0.229 0.000 1.046 155 L CA -0.450 54.292 54.840 -0.162 0.000 0.816 155 L CB 0.469 42.526 42.059 -0.005 0.000 1.197 155 L HN 0.506 nan 8.230 nan 0.000 0.427 156 F N 5.475 125.538 119.950 0.188 0.000 2.371 156 F HA 0.230 4.756 4.527 -0.001 0.000 0.363 156 F C 0.605 176.578 175.800 0.289 0.000 1.122 156 F CA -0.362 57.834 58.000 0.326 0.000 1.129 156 F CB 1.040 40.421 39.000 0.634 0.000 1.173 156 F HN 0.326 nan 8.300 nan 0.000 0.489 157 L N 6.147 127.565 121.223 0.326 0.000 2.536 157 L HA 0.171 4.510 4.340 -0.001 0.000 0.242 157 L C 0.055 177.000 176.870 0.126 0.000 1.280 157 L CA -0.557 54.371 54.840 0.147 0.000 1.221 157 L CB -0.883 41.215 42.059 0.065 0.000 1.449 157 L HN 0.671 nan 8.230 nan 0.000 0.405 158 H N -0.316 118.875 119.070 0.201 0.000 2.607 158 H HA 0.763 5.318 4.556 -0.001 0.000 0.367 158 H C 0.235 175.591 175.328 0.047 0.000 1.181 158 H CA 0.035 56.147 56.048 0.106 0.000 1.402 158 H CB 1.189 30.982 29.762 0.051 0.000 1.474 158 H HN 0.343 nan 8.280 nan 0.000 0.596 159 G N 0.465 109.335 108.800 0.116 0.000 2.340 159 G HA2 0.212 4.171 3.960 -0.001 0.000 0.299 159 G HA3 0.212 4.171 3.960 -0.001 0.000 0.299 159 G C -1.254 173.679 174.900 0.055 0.000 1.291 159 G CA -1.294 43.832 45.100 0.044 0.000 0.841 159 G HN 0.795 nan 8.290 nan 0.000 0.500 160 R N -0.225 120.293 120.500 0.029 0.000 2.774 160 R HA 0.558 4.897 4.340 -0.001 0.000 0.269 160 R C 0.747 177.067 176.300 0.034 0.000 1.068 160 R CA 0.351 56.468 56.100 0.028 0.000 1.180 160 R CB 0.412 30.728 30.300 0.027 0.000 1.077 160 R HN 0.888 nan 8.270 nan 0.000 0.513 161 A N 0.977 123.814 122.820 0.029 0.000 2.401 161 A HA 0.398 4.717 4.320 -0.001 0.000 0.259 161 A C 1.089 178.748 177.584 0.124 0.000 1.103 161 A CA 0.301 52.379 52.037 0.067 0.000 0.789 161 A CB 0.182 19.185 19.000 0.005 0.000 1.035 161 A HN 0.989 nan 8.150 nan 0.000 0.491 162 G N 1.271 110.216 108.800 0.243 0.000 2.205 162 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.269 162 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.269 162 G C 1.136 176.046 174.900 0.017 0.000 0.977 162 G CA 1.552 46.794 45.100 0.237 0.000 0.652 162 G HN 2.156 nan 8.290 nan 0.000 0.539 163 S N -0.116 115.594 115.700 0.016 0.000 2.754 163 S HA 0.425 4.894 4.470 -0.001 0.000 0.223 163 S C 1.697 176.255 174.600 -0.070 0.000 0.951 163 S CA 0.989 59.180 58.200 -0.014 0.000 0.954 163 S CB -0.282 62.916 63.200 -0.004 0.000 0.780 163 S HN 2.305 nan 8.310 nan 0.000 0.509 164 G N 1.442 110.178 108.800 -0.106 0.000 2.291 164 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.271 164 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.271 164 G C 0.431 175.277 174.900 -0.090 0.000 1.099 164 G CA 0.315 45.341 45.100 -0.123 0.000 0.919 164 G HN 0.598 nan 8.290 nan 0.000 0.496 165 K N -0.021 120.343 120.400 -0.061 0.000 2.098 165 K HA 0.080 4.399 4.320 -0.001 0.000 0.203 165 K C 2.587 179.191 176.600 0.007 0.000 1.051 165 K CA 1.357 57.621 56.287 -0.038 0.000 0.957 165 K CB -0.148 32.344 32.500 -0.013 0.000 0.738 165 K HN 0.287 nan 8.250 nan 0.000 0.447 166 S N 1.366 117.086 115.700 0.033 0.000 2.383 166 S HA -0.095 4.374 4.470 -0.001 0.000 0.227 166 S C 2.258 176.964 174.600 0.177 0.000 1.026 166 S CA 1.335 59.611 58.200 0.126 0.000 0.981 166 S CB -0.384 62.916 63.200 0.168 0.000 0.818 166 S HN 0.074 nan 8.310 nan 0.000 0.472 167 V N 2.268 122.227 119.914 0.075 0.000 2.392 167 V HA -0.181 3.938 4.120 -0.001 0.000 0.249 167 V C 2.058 178.195 176.094 0.071 0.000 1.059 167 V CA 1.424 63.758 62.300 0.057 0.000 1.051 167 V CB -1.004 30.820 31.823 0.002 0.000 0.658 167 V HN 0.453 nan 8.190 nan 0.000 0.455 168 I N 0.657 121.263 120.570 0.059 0.000 2.361 168 I HA -0.229 3.940 4.170 -0.001 0.000 0.251 168 I C 2.700 178.877 176.117 0.100 0.000 1.133 168 I CA 1.425 62.763 61.300 0.063 0.000 1.413 168 I CB -0.545 37.475 38.000 0.034 0.000 1.073 168 I HN 0.351 nan 8.210 nan 0.000 0.424 169 A N -0.120 122.798 122.820 0.164 0.000 1.855 169 A HA -0.216 4.104 4.320 -0.001 0.000 0.215 169 A C 2.489 180.223 177.584 0.250 0.000 1.191 169 A CA 1.924 54.112 52.037 0.252 0.000 0.613 169 A CB -0.868 18.345 19.000 0.356 0.000 0.829 169 A HN 0.353 nan 8.150 nan 0.000 0.442 170 S N -0.659 115.166 115.700 0.207 0.000 2.402 170 S HA -0.260 4.210 4.470 -0.001 0.000 0.233 170 S C 2.101 176.692 174.600 -0.014 0.000 1.030 170 S CA 1.992 60.166 58.200 -0.043 0.000 1.003 170 S CB -0.359 62.766 63.200 -0.125 0.000 0.813 170 S HN 0.687 nan 8.310 nan 0.000 0.477 171 Q N -0.049 119.769 119.800 0.031 0.000 2.089 171 Q HA 0.197 4.536 4.340 -0.001 0.000 0.195 171 Q C 2.498 178.514 176.000 0.026 0.000 0.963 171 Q CA 1.123 56.938 55.803 0.020 0.000 0.834 171 Q CB -0.323 28.433 28.738 0.029 0.000 0.906 171 Q HN 0.625 nan 8.270 nan 0.000 0.452 172 A N 0.537 123.386 122.820 0.048 0.000 2.172 172 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 172 A C 1.818 179.428 177.584 0.043 0.000 1.154 172 A CA 0.782 52.846 52.037 0.046 0.000 0.701 172 A CB -0.214 18.822 19.000 0.059 0.000 0.789 172 A HN 0.248 nan 8.150 nan 0.000 0.465 173 L N -1.711 119.539 121.223 0.046 0.000 2.408 173 L HA 0.060 4.400 4.340 -0.001 0.000 0.215 173 L C 2.163 179.037 176.870 0.007 0.000 1.081 173 L CA 0.803 55.663 54.840 0.034 0.000 0.840 173 L CB 0.053 42.144 42.059 0.052 0.000 1.002 173 L HN 0.288 nan 8.230 nan 0.000 0.468 174 S N -0.522 115.173 115.700 -0.007 0.000 2.486 174 S HA -0.046 4.424 4.470 -0.001 0.000 0.220 174 S C 1.758 176.354 174.600 -0.007 0.000 1.011 174 S CA 0.320 58.509 58.200 -0.018 0.000 0.921 174 S CB 0.396 63.572 63.200 -0.039 0.000 0.785 174 S HN 0.284 nan 8.310 nan 0.000 0.517 175 K N 1.596 121.993 120.400 -0.005 0.000 1.991 175 K HA 0.086 4.405 4.320 -0.001 0.000 0.207 175 K C 0.934 177.523 176.600 -0.018 0.000 1.045 175 K CA 0.938 57.219 56.287 -0.009 0.000 0.937 175 K CB -0.211 32.285 32.500 -0.007 0.000 0.720 175 K HN 0.202 nan 8.250 nan 0.000 0.438 176 S N 1.320 117.009 115.700 -0.018 0.000 2.465 176 S HA 0.095 4.564 4.470 -0.001 0.000 0.279 176 S C -0.395 174.177 174.600 -0.048 0.000 1.201 176 S CA -0.775 57.400 58.200 -0.041 0.000 1.053 176 S CB 1.059 64.242 63.200 -0.028 0.000 0.953 176 S HN 0.221 nan 8.310 nan 0.000 0.488 177 D N 3.830 124.162 120.400 -0.112 0.000 2.324 177 D HA 0.069 4.708 4.640 -0.001 0.000 0.235 177 D C 1.371 177.600 176.300 -0.119 0.000 1.095 177 D CA 0.430 54.359 54.000 -0.117 0.000 0.871 177 D CB 0.263 40.903 40.800 -0.268 0.000 0.906 177 D HN 0.612 nan 8.370 nan 0.000 0.522 178 Q N -0.241 119.502 119.800 -0.095 0.000 2.200 178 Q HA -0.003 4.337 4.340 -0.001 0.000 0.197 178 Q C 1.636 177.643 176.000 0.012 0.000 0.953 178 Q CA 0.075 55.843 55.803 -0.058 0.000 0.851 178 Q CB 0.196 28.894 28.738 -0.068 0.000 0.938 178 Q HN 0.137 nan 8.270 nan 0.000 0.488 179 L N 0.980 122.233 121.223 0.050 0.000 2.051 179 L HA -0.170 4.169 4.340 -0.001 0.000 0.214 179 L C 1.024 177.997 176.870 0.171 0.000 1.076 179 L CA 1.527 56.457 54.840 0.151 0.000 0.758 179 L CB -0.583 41.550 42.059 0.123 0.000 0.890 179 L HN 0.197 nan 8.230 nan 0.000 0.433 180 I N -1.065 119.561 120.570 0.093 0.000 2.330 180 I HA 0.474 4.643 4.170 -0.001 0.000 0.289 180 I C 1.231 177.392 176.117 0.074 0.000 1.001 180 I CA 0.505 61.854 61.300 0.081 0.000 1.193 180 I CB 0.208 38.239 38.000 0.051 0.000 1.345 180 I HN 0.348 nan 8.210 nan 0.000 0.461 181 G N 5.829 114.673 108.800 0.073 0.000 3.642 181 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.205 181 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.205 181 G C 0.629 175.567 174.900 0.063 0.000 1.526 181 G CA 0.287 45.430 45.100 0.071 0.000 1.097 181 G HN 0.397 nan 8.290 nan 0.000 0.596 182 I N 2.192 122.790 120.570 0.047 0.000 2.186 182 I HA 0.102 4.271 4.170 -0.001 0.000 0.228 182 I C 2.491 178.586 176.117 -0.037 0.000 1.062 182 I CA 2.245 63.554 61.300 0.015 0.000 1.347 182 I CB -0.937 37.057 38.000 -0.010 0.000 1.122 182 I HN 0.379 nan 8.210 nan 0.000 0.402 183 N N -0.662 117.992 118.700 -0.078 0.000 2.058 183 N HA -0.133 4.606 4.740 -0.001 0.000 0.191 183 N C -0.171 175.057 175.510 -0.471 0.000 1.037 183 N CA 1.359 54.246 53.050 -0.271 0.000 0.848 183 N CB -0.467 37.879 38.487 -0.234 0.000 1.021 183 N HN 0.325 nan 8.380 nan 0.000 0.422 184 Y N -0.743 119.555 120.300 -0.004 0.000 2.446 184 Y HA 0.262 4.811 4.550 -0.001 0.000 0.345 184 Y C 0.830 176.719 175.900 -0.019 0.000 0.984 184 Y CA -1.036 57.055 58.100 -0.015 0.000 1.058 184 Y CB 1.774 40.213 38.460 -0.035 0.000 1.220 184 Y HN -0.175 nan 8.280 nan 0.000 0.455 185 D N 0.500 120.972 120.400 0.119 0.000 2.162 185 D HA -0.013 4.626 4.640 -0.001 0.000 0.205 185 D C 0.233 176.548 176.300 0.025 0.000 0.964 185 D CA 1.165 55.197 54.000 0.054 0.000 0.847 185 D CB 0.417 41.235 40.800 0.030 0.000 0.988 185 D HN 0.480 nan 8.370 nan 0.000 0.480 186 S N -1.043 114.656 115.700 -0.003 0.000 2.697 186 S HA 0.542 5.011 4.470 -0.001 0.000 0.289 186 S C -1.072 173.468 174.600 -0.101 0.000 1.149 186 S CA -0.989 57.185 58.200 -0.044 0.000 0.850 186 S CB 2.087 65.254 63.200 -0.055 0.000 1.151 186 S HN 0.035 nan 8.310 nan 0.000 0.491 187 I N 1.557 122.070 120.570 -0.096 0.000 2.619 187 I HA 0.622 4.791 4.170 -0.001 0.000 0.292 187 I C -1.752 174.326 176.117 -0.065 0.000 1.100 187 I CA -0.904 60.325 61.300 -0.120 0.000 1.043 187 I CB 1.995 39.962 38.000 -0.055 0.000 1.239 187 I HN 0.699 nan 8.210 nan 0.000 0.420 188 V N 7.448 127.320 119.914 -0.070 0.000 2.482 188 V HA 0.407 4.526 4.120 -0.001 0.000 0.295 188 V C -1.084 175.110 176.094 0.167 0.000 1.026 188 V CA -0.569 61.792 62.300 0.102 0.000 0.856 188 V CB 2.272 34.251 31.823 0.260 0.000 1.001 188 V HN 0.717 nan 8.190 nan 0.000 0.424 189 W N 7.449 128.730 121.300 -0.032 0.000 2.554 189 W HA 0.747 5.406 4.660 -0.002 0.000 0.324 189 W C -2.329 174.192 176.519 0.003 0.000 1.018 189 W CA -1.098 56.219 57.345 -0.047 0.000 1.243 189 W CB 1.576 31.007 29.460 -0.049 0.000 1.345 189 W HN 0.439 nan 8.180 nan 0.000 0.441 190 L N 6.202 127.468 121.223 0.072 0.000 2.381 190 L HA 0.343 4.683 4.340 -0.001 0.000 0.274 190 L C 0.025 176.919 176.870 0.041 0.000 0.988 190 L CA -0.876 54.043 54.840 0.132 0.000 0.824 190 L CB 2.510 44.658 42.059 0.148 0.000 1.263 190 L HN 0.356 nan 8.230 nan 0.000 0.410 191 K N 1.925 122.377 120.400 0.087 0.000 2.312 191 K HA 0.080 4.399 4.320 -0.001 0.000 0.287 191 K C 0.213 176.839 176.600 0.043 0.000 1.062 191 K CA -0.330 55.989 56.287 0.053 0.000 0.934 191 K CB 1.224 33.789 32.500 0.108 0.000 1.027 191 K HN 0.523 nan 8.250 nan 0.000 0.478 192 D N 2.173 122.585 120.400 0.019 0.000 2.196 192 D HA -0.068 4.572 4.640 -0.001 0.000 0.228 192 D C -0.136 176.165 176.300 0.001 0.000 1.028 192 D CA 1.747 55.739 54.000 -0.014 0.000 0.924 192 D CB 0.023 40.791 40.800 -0.053 0.000 1.025 192 D HN 0.696 nan 8.370 nan 0.000 0.438 193 S N -1.348 114.359 115.700 0.012 0.000 3.380 193 S HA -0.143 4.326 4.470 -0.001 0.000 0.300 193 S C 0.806 175.407 174.600 0.002 0.000 1.255 193 S CA 0.562 58.776 58.200 0.023 0.000 0.963 193 S CB -2.349 60.874 63.200 0.040 0.000 1.106 193 S HN 0.666 nan 8.310 nan 0.000 0.629 194 G N 0.862 109.647 108.800 -0.025 0.000 2.239 194 G HA2 0.283 4.242 3.960 -0.001 0.000 0.278 194 G HA3 0.283 4.242 3.960 -0.001 0.000 0.278 194 G C 0.642 175.519 174.900 -0.038 0.000 1.071 194 G CA 0.790 45.862 45.100 -0.047 0.000 1.198 194 G HN 0.453 nan 8.290 nan 0.000 0.410 195 T N 2.499 117.037 114.554 -0.026 0.000 3.053 195 T HA 0.375 4.724 4.350 -0.001 0.000 0.236 195 T C 2.049 176.730 174.700 -0.032 0.000 0.996 195 T CA 0.736 62.822 62.100 -0.023 0.000 1.185 195 T CB -0.127 68.737 68.868 -0.008 0.000 0.892 195 T HN 0.787 nan 8.240 nan 0.000 0.432 196 A N 2.180 124.983 122.820 -0.028 0.000 2.482 196 A HA 0.222 4.541 4.320 -0.001 0.000 0.249 196 A C -1.600 175.955 177.584 -0.049 0.000 1.114 196 A CA -0.508 51.510 52.037 -0.031 0.000 0.797 196 A CB -0.358 18.629 19.000 -0.022 0.000 1.067 196 A HN 0.246 nan 8.150 nan 0.000 0.514 197 P HA 0.115 nan 4.420 nan 0.000 0.255 197 P C 0.270 177.527 177.300 -0.072 0.000 1.248 197 P CA 0.702 63.766 63.100 -0.060 0.000 0.807 197 P CB 0.239 31.912 31.700 -0.045 0.000 1.150 198 K N -1.944 118.421 120.400 -0.059 0.000 2.474 198 K HA 0.272 4.592 4.320 -0.001 0.000 0.204 198 K C 1.552 178.149 176.600 -0.006 0.000 1.220 198 K CA 0.148 56.411 56.287 -0.040 0.000 0.966 198 K CB -0.184 32.295 32.500 -0.035 0.000 1.049 198 K HN -0.137 nan 8.250 nan 0.000 0.554 199 S N 1.680 117.359 115.700 -0.036 0.000 2.399 199 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 199 S C 1.842 176.386 174.600 -0.095 0.000 1.022 199 S CA 1.691 59.871 58.200 -0.034 0.000 0.983 199 S CB -0.264 62.913 63.200 -0.039 0.000 0.803 199 S HN 0.311 nan 8.310 nan 0.000 0.480 200 T N 1.239 115.670 114.554 -0.205 0.000 2.951 200 T HA 0.060 4.409 4.350 -0.001 0.000 0.268 200 T C 1.313 175.548 174.700 -0.775 0.000 1.073 200 T CA 0.714 62.551 62.100 -0.438 0.000 1.134 200 T CB -0.244 68.304 68.868 -0.533 0.000 0.884 200 T HN 0.519 nan 8.240 nan 0.000 0.479 201 F N 1.922 121.436 119.950 -0.725 0.000 2.118 201 F HA -0.007 4.519 4.527 -0.001 0.000 0.293 201 F C 2.069 177.768 175.800 -0.169 0.000 1.102 201 F CA 1.021 58.631 58.000 -0.649 0.000 1.247 201 F CB -0.146 38.734 39.000 -0.200 0.000 1.017 201 F HN -0.030 nan 8.300 nan 0.000 0.475 202 D N 1.118 121.652 120.400 0.223 0.000 2.182 202 D HA -0.215 4.424 4.640 -0.001 0.000 0.201 202 D C 2.357 178.668 176.300 0.018 0.000 0.986 202 D CA 1.321 55.419 54.000 0.163 0.000 0.847 202 D CB -0.446 40.475 40.800 0.201 0.000 0.942 202 D HN 0.426 nan 8.370 nan 0.000 0.467 203 L N -0.099 121.129 121.223 0.007 0.000 1.956 203 L HA -0.232 4.108 4.340 -0.001 0.000 0.216 203 L C 1.783 178.660 176.870 0.011 0.000 1.073 203 L CA 1.460 56.310 54.840 0.016 0.000 0.762 203 L CB -0.383 41.687 42.059 0.019 0.000 0.889 203 L HN -0.103 nan 8.230 nan 0.000 0.433 204 F N -0.324 119.501 119.950 -0.208 0.000 2.788 204 F HA -0.075 4.451 4.527 -0.001 0.000 0.300 204 F C 2.198 177.887 175.800 -0.186 0.000 1.229 204 F CA 0.744 58.677 58.000 -0.112 0.000 1.446 204 F CB -1.135 37.937 39.000 0.120 0.000 1.118 204 F HN 0.092 nan 8.300 nan 0.000 0.579 205 T N -1.301 113.198 114.554 -0.091 0.000 3.010 205 T HA -0.055 4.294 4.350 -0.001 0.000 0.252 205 T C 1.396 176.114 174.700 0.030 0.000 1.047 205 T CA 0.953 63.006 62.100 -0.078 0.000 1.140 205 T CB 0.030 68.881 68.868 -0.028 0.000 0.885 205 T HN 0.079 nan 8.240 nan 0.000 0.464 206 D N 0.611 121.025 120.400 0.022 0.000 2.348 206 D HA 0.212 4.851 4.640 -0.001 0.000 0.211 206 D C 1.796 178.104 176.300 0.015 0.000 0.998 206 D CA 0.123 54.145 54.000 0.037 0.000 0.873 206 D CB 0.095 40.916 40.800 0.035 0.000 0.925 206 D HN 0.320 nan 8.370 nan 0.000 0.524 207 I N 0.802 121.349 120.570 -0.038 0.000 2.286 207 I HA -0.168 4.001 4.170 -0.001 0.000 0.245 207 I C 2.128 178.240 176.117 -0.009 0.000 1.104 207 I CA 0.500 61.756 61.300 -0.074 0.000 1.397 207 I CB 0.249 38.084 38.000 -0.274 0.000 1.072 207 I HN 0.010 nan 8.210 nan 0.000 0.417 208 L N 0.751 121.978 121.223 0.007 0.000 2.187 208 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 208 L C 2.107 179.020 176.870 0.072 0.000 1.100 208 L CA 1.986 56.852 54.840 0.044 0.000 0.765 208 L CB -0.467 41.620 42.059 0.047 0.000 0.904 208 L HN 0.317 nan 8.230 nan 0.000 0.437 209 L N -1.928 119.343 121.223 0.081 0.000 2.307 209 L HA -0.085 4.255 4.340 -0.001 0.000 0.211 209 L C 2.495 179.406 176.870 0.069 0.000 1.099 209 L CA 0.017 54.915 54.840 0.096 0.000 0.816 209 L CB -0.491 41.636 42.059 0.114 0.000 0.952 209 L HN 0.153 nan 8.230 nan 0.000 0.455 210 M N 0.384 120.020 119.600 0.060 0.000 2.213 210 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 210 M C 2.160 178.504 176.300 0.074 0.000 1.062 210 M CA 1.764 57.102 55.300 0.064 0.000 1.105 210 M CB -0.632 32.014 32.600 0.076 0.000 1.385 210 M HN 0.257 nan 8.290 nan 0.000 0.417 211 L N -0.562 120.710 121.223 0.082 0.000 2.022 211 L HA -0.090 4.249 4.340 -0.001 0.000 0.204 211 L C 0.948 177.859 176.870 0.068 0.000 1.076 211 L CA 0.403 55.294 54.840 0.084 0.000 0.749 211 L CB -0.768 41.348 42.059 0.096 0.000 0.903 211 L HN 0.001 nan 8.230 nan 0.000 0.439 212 K N 2.712 123.156 120.400 0.072 0.000 2.321 212 K HA -0.035 4.285 4.320 -0.001 0.000 0.266 212 K C 0.609 177.248 176.600 0.064 0.000 1.215 212 K CA 0.237 56.567 56.287 0.072 0.000 1.225 212 K CB -0.292 32.262 32.500 0.089 0.000 0.827 212 K HN 0.394 nan 8.250 nan 0.000 0.478 213 S N 1.975 117.708 115.700 0.055 0.000 2.562 213 S HA 0.027 4.496 4.470 -0.001 0.000 0.256 213 S C 1.136 175.765 174.600 0.048 0.000 1.248 213 S CA -0.281 57.946 58.200 0.045 0.000 0.988 213 S CB 0.349 63.573 63.200 0.039 0.000 1.035 213 S HN 0.569 nan 8.310 nan 0.000 0.548 214 E N 0.453 120.677 120.200 0.041 0.000 2.393 214 E HA -0.133 4.216 4.350 -0.001 0.000 0.201 214 E C -0.231 176.399 176.600 0.051 0.000 1.025 214 E CA 0.749 57.174 56.400 0.041 0.000 0.856 214 E CB -0.462 29.259 29.700 0.035 0.000 0.771 214 E HN 0.488 nan 8.360 nan 0.000 0.526 215 D N 2.190 122.623 120.400 0.056 0.000 2.619 215 D HA -0.049 4.590 4.640 -0.001 0.000 0.238 215 D C -0.850 175.491 176.300 0.069 0.000 1.158 215 D CA 0.654 54.691 54.000 0.062 0.000 1.251 215 D CB -0.592 40.246 40.800 0.064 0.000 1.134 215 D HN 0.023 nan 8.370 nan 0.000 0.487 216 D N 1.070 121.511 120.400 0.069 0.000 3.061 216 D HA -0.180 4.459 4.640 -0.001 0.000 0.252 216 D C 1.033 177.401 176.300 0.114 0.000 1.080 216 D CA 0.204 54.254 54.000 0.084 0.000 0.871 216 D CB -0.886 39.962 40.800 0.079 0.000 1.018 216 D HN 0.444 nan 8.370 nan 0.000 0.425 217 L N 0.005 121.287 121.223 0.099 0.000 2.509 217 L HA 0.011 4.350 4.340 -0.001 0.000 0.222 217 L C 2.546 179.489 176.870 0.122 0.000 1.123 217 L CA 0.247 55.153 54.840 0.110 0.000 0.856 217 L CB -0.219 41.864 42.059 0.040 0.000 0.985 217 L HN 0.312 nan 8.230 nan 0.000 0.456 218 L N -2.269 119.017 121.223 0.104 0.000 2.023 218 L HA -0.060 4.280 4.340 -0.001 0.000 0.205 218 L C 1.929 178.885 176.870 0.143 0.000 1.073 218 L CA 1.747 56.649 54.840 0.103 0.000 0.745 218 L CB -0.960 41.141 42.059 0.071 0.000 0.900 218 L HN 0.121 nan 8.230 nan 0.000 0.435 219 N N -0.176 118.599 118.700 0.125 0.000 2.571 219 N HA -0.104 4.635 4.740 -0.001 0.000 0.189 219 N C 0.409 175.997 175.510 0.130 0.000 1.154 219 N CA -0.353 52.761 53.050 0.106 0.000 0.907 219 N CB -0.095 38.434 38.487 0.070 0.000 0.977 219 N HN 0.297 nan 8.380 nan 0.000 0.449 220 F N 2.356 122.328 119.950 0.036 0.000 2.374 220 F HA -0.004 4.522 4.527 -0.002 0.000 0.405 220 F C -2.109 173.718 175.800 0.045 0.000 0.976 220 F CA -1.501 56.524 58.000 0.041 0.000 1.037 220 F CB 0.308 39.332 39.000 0.041 0.000 0.888 220 F HN 0.103 nan 8.300 nan 0.000 0.519 221 P HA 0.080 nan 4.420 nan 0.000 0.333 221 P C -0.571 176.336 177.300 -0.655 0.000 1.315 221 P CA -0.548 62.317 63.100 -0.393 0.000 0.746 221 P CB 0.546 32.123 31.700 -0.205 0.000 1.575 222 S N -0.349 115.174 115.700 -0.295 0.000 3.864 222 S HA 0.049 4.518 4.470 -0.001 0.000 0.202 222 S C 1.236 175.742 174.600 -0.157 0.000 1.402 222 S CA -0.364 57.728 58.200 -0.180 0.000 1.072 222 S CB -1.856 61.329 63.200 -0.025 0.000 1.383 222 S HN 0.119 nan 8.310 nan 0.000 0.458 223 V N 2.395 122.089 119.914 -0.368 0.000 2.324 223 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 223 V C 2.909 179.055 176.094 0.087 0.000 1.060 223 V CA 2.241 64.460 62.300 -0.135 0.000 1.042 223 V CB -0.735 31.018 31.823 -0.116 0.000 0.650 223 V HN 0.820 nan 8.190 nan 0.000 0.450 224 E N 1.290 121.568 120.200 0.129 0.000 2.169 224 E HA -0.298 4.051 4.350 -0.001 0.000 0.202 224 E C 1.134 177.844 176.600 0.182 0.000 1.016 224 E CA 2.013 58.538 56.400 0.210 0.000 0.817 224 E CB -0.355 29.458 29.700 0.189 0.000 0.736 224 E HN 0.823 nan 8.360 nan 0.000 0.462 225 H N 0.152 119.256 119.070 0.058 0.000 2.700 225 H HA 0.502 5.058 4.556 -0.001 0.000 0.269 225 H C -1.274 174.084 175.328 0.050 0.000 1.222 225 H CA -0.518 55.548 56.048 0.030 0.000 1.254 225 H CB 0.205 29.969 29.762 0.003 0.000 1.413 225 H HN -0.122 nan 8.280 nan 0.000 0.507 226 V N 3.322 123.074 119.914 -0.270 0.000 3.147 226 V HA 0.289 4.408 4.120 -0.001 0.000 0.306 226 V C 0.062 176.079 176.094 -0.128 0.000 1.209 226 V CA -0.973 61.227 62.300 -0.166 0.000 1.023 226 V CB 2.432 34.298 31.823 0.072 0.000 1.059 226 V HN 0.792 nan 8.190 nan 0.000 0.435 227 T N 0.555 115.057 114.554 -0.087 0.000 2.868 227 T HA 0.162 4.511 4.350 -0.001 0.000 0.292 227 T C 1.358 176.145 174.700 0.144 0.000 1.028 227 T CA 0.016 62.101 62.100 -0.026 0.000 1.059 227 T CB 1.124 69.971 68.868 -0.036 0.000 0.991 227 T HN 0.641 nan 8.240 nan 0.000 0.531 228 S N 0.555 116.356 115.700 0.168 0.000 2.374 228 S HA -0.166 4.303 4.470 -0.001 0.000 0.227 228 S C 2.386 176.996 174.600 0.016 0.000 1.037 228 S CA 1.598 59.957 58.200 0.265 0.000 1.024 228 S CB -0.710 62.609 63.200 0.198 0.000 0.861 228 S HN 0.705 nan 8.310 nan 0.000 0.456 229 V N -0.492 119.405 119.914 -0.029 0.000 2.307 229 V HA -0.062 4.057 4.120 -0.001 0.000 0.245 229 V C 2.083 178.144 176.094 -0.056 0.000 1.045 229 V CA 1.559 63.811 62.300 -0.080 0.000 1.024 229 V CB -1.212 30.575 31.823 -0.060 0.000 0.651 229 V HN 0.334 nan 8.190 nan 0.000 0.449 230 V N 0.698 120.602 119.914 -0.016 0.000 2.261 230 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 230 V C 2.621 178.716 176.094 0.001 0.000 1.047 230 V CA 2.545 64.841 62.300 -0.007 0.000 1.015 230 V CB -0.670 31.154 31.823 0.001 0.000 0.642 230 V HN 0.615 nan 8.190 nan 0.000 0.446 231 L N -0.245 120.998 121.223 0.034 0.000 2.043 231 L HA -0.275 4.064 4.340 -0.001 0.000 0.212 231 L C 2.608 179.465 176.870 -0.021 0.000 1.075 231 L CA 2.015 56.867 54.840 0.019 0.000 0.752 231 L CB -0.372 41.697 42.059 0.017 0.000 0.891 231 L HN 0.271 nan 8.230 nan 0.000 0.432 232 K N -0.460 119.890 120.400 -0.084 0.000 1.991 232 K HA -0.250 4.070 4.320 -0.001 0.000 0.212 232 K C 2.259 178.818 176.600 -0.069 0.000 1.049 232 K CA 1.795 57.998 56.287 -0.139 0.000 0.932 232 K CB -0.285 32.037 32.500 -0.297 0.000 0.717 232 K HN 0.153 nan 8.250 nan 0.000 0.441 233 R N 1.493 121.957 120.500 -0.060 0.000 2.148 233 R HA -0.003 4.337 4.340 -0.001 0.000 0.227 233 R C 1.858 178.151 176.300 -0.011 0.000 1.103 233 R CA 1.299 57.379 56.100 -0.033 0.000 0.983 233 R CB -0.317 29.964 30.300 -0.032 0.000 0.874 233 R HN 0.233 nan 8.270 nan 0.000 0.451 234 M N -0.730 118.866 119.600 -0.006 0.000 2.562 234 M HA 0.052 4.532 4.480 -0.001 0.000 0.257 234 M C 1.049 177.361 176.300 0.021 0.000 1.099 234 M CA 1.141 56.446 55.300 0.009 0.000 1.099 234 M CB 0.189 32.796 32.600 0.011 0.000 1.427 234 M HN 0.217 nan 8.290 nan 0.000 0.489 235 I N -0.963 119.620 120.570 0.022 0.000 2.494 235 I HA -0.214 3.955 4.170 -0.001 0.000 0.250 235 I C 2.169 178.313 176.117 0.045 0.000 1.112 235 I CA 0.387 61.711 61.300 0.041 0.000 1.438 235 I CB -0.337 37.696 38.000 0.053 0.000 1.111 235 I HN 0.375 nan 8.210 nan 0.000 0.431 236 C N 1.136 120.454 119.300 0.031 0.000 2.391 236 C HA -0.210 4.249 4.460 -0.001 0.000 0.276 236 C C 2.506 177.514 174.990 0.030 0.000 1.217 236 C CA 1.002 60.039 59.018 0.031 0.000 1.766 236 C CB -1.605 26.142 27.740 0.013 0.000 2.046 236 C HN 0.554 nan 8.230 nan 0.000 0.475 237 N N 1.397 120.111 118.700 0.023 0.000 1.997 237 N HA -0.125 4.614 4.740 -0.001 0.000 0.198 237 N C 1.927 177.458 175.510 0.034 0.000 1.070 237 N CA 2.025 55.089 53.050 0.023 0.000 0.864 237 N CB -1.061 37.438 38.487 0.020 0.000 1.066 237 N HN 0.463 nan 8.380 nan 0.000 0.425 238 A N 0.758 123.603 122.820 0.042 0.000 2.225 238 A HA -0.164 4.155 4.320 -0.001 0.000 0.222 238 A C 2.183 179.804 177.584 0.062 0.000 1.170 238 A CA 1.116 53.185 52.037 0.053 0.000 0.672 238 A CB -0.824 18.211 19.000 0.059 0.000 0.802 238 A HN 0.347 nan 8.150 nan 0.000 0.481 239 L N -0.336 120.926 121.223 0.064 0.000 2.341 239 L HA -0.067 4.272 4.340 -0.001 0.000 0.214 239 L C 2.492 179.395 176.870 0.056 0.000 1.115 239 L CA 1.024 55.909 54.840 0.075 0.000 0.820 239 L CB -0.511 41.600 42.059 0.088 0.000 0.944 239 L HN 0.720 nan 8.230 nan 0.000 0.452 240 I N -1.544 119.051 120.570 0.042 0.000 2.181 240 I HA -0.344 3.825 4.170 -0.001 0.000 0.247 240 I C 1.696 177.834 176.117 0.035 0.000 1.081 240 I CA 1.954 63.273 61.300 0.032 0.000 1.340 240 I CB -0.552 37.459 38.000 0.018 0.000 1.036 240 I HN 0.205 nan 8.210 nan 0.000 0.417 241 D N 1.046 121.470 120.400 0.039 0.000 2.183 241 D HA -0.042 4.598 4.640 -0.001 0.000 0.203 241 D C 1.157 177.473 176.300 0.027 0.000 0.969 241 D CA 1.031 55.053 54.000 0.036 0.000 0.842 241 D CB -0.192 40.631 40.800 0.040 0.000 0.957 241 D HN 0.471 nan 8.370 nan 0.000 0.484 242 R N 1.171 121.690 120.500 0.031 0.000 3.301 242 R HA 0.290 4.629 4.340 -0.001 0.000 0.286 242 R C -2.486 173.821 176.300 0.012 0.000 1.386 242 R CA -1.378 54.730 56.100 0.014 0.000 1.607 242 R CB 1.035 31.345 30.300 0.016 0.000 1.305 242 R HN 0.165 nan 8.270 nan 0.000 0.637 243 P HA 0.101 nan 4.420 nan 0.000 0.279 243 P C -0.420 176.900 177.300 0.032 0.000 1.252 243 P CA -0.558 62.562 63.100 0.033 0.000 0.811 243 P CB 0.498 32.224 31.700 0.043 0.000 1.035 244 N N -0.840 117.892 118.700 0.053 0.000 2.666 244 N HA -0.137 4.603 4.740 -0.001 0.000 0.274 244 N C -0.777 174.775 175.510 0.070 0.000 1.043 244 N CA 0.821 53.925 53.050 0.090 0.000 0.782 244 N CB -0.889 37.636 38.487 0.062 0.000 0.912 244 N HN 0.415 nan 8.380 nan 0.000 0.556 245 T N 1.305 115.832 114.554 -0.046 0.000 2.856 245 T HA 0.529 4.879 4.350 -0.001 0.000 0.283 245 T C -0.103 174.285 174.700 -0.521 0.000 1.008 245 T CA -0.582 61.369 62.100 -0.248 0.000 0.997 245 T CB 2.231 70.898 68.868 -0.336 0.000 0.992 245 T HN 0.241 nan 8.240 nan 0.000 0.454 246 L N 3.663 124.524 121.223 -0.603 0.000 2.322 246 L HA 0.710 5.049 4.340 -0.001 0.000 0.281 246 L C -1.599 174.764 176.870 -0.844 0.000 1.014 246 L CA -0.446 53.962 54.840 -0.721 0.000 0.815 246 L CB 0.386 42.070 42.059 -0.625 0.000 1.247 246 L HN 0.553 nan 8.230 nan 0.000 0.421 247 F N 4.605 124.267 119.950 -0.481 0.000 2.436 247 F HA 0.620 5.146 4.527 -0.001 0.000 0.340 247 F C -0.076 175.265 175.800 -0.764 0.000 1.113 247 F CA -0.971 56.626 58.000 -0.671 0.000 1.022 247 F CB 1.792 40.206 39.000 -0.977 0.000 1.128 247 F HN 0.209 nan 8.300 nan 0.000 0.466 248 V N 2.296 121.922 119.914 -0.480 0.000 2.398 248 V HA 0.358 4.477 4.120 -0.001 0.000 0.286 248 V C -0.605 175.058 176.094 -0.718 0.000 1.026 248 V CA -0.909 61.031 62.300 -0.600 0.000 0.868 248 V CB 1.342 32.793 31.823 -0.620 0.000 0.982 248 V HN 0.659 nan 8.190 nan 0.000 0.443 249 F N 2.125 121.845 119.950 -0.384 0.000 2.334 249 F HA 0.315 4.842 4.527 -0.001 0.000 0.343 249 F C 0.721 176.318 175.800 -0.338 0.000 1.136 249 F CA -0.727 57.093 58.000 -0.300 0.000 1.237 249 F CB 0.781 39.700 39.000 -0.135 0.000 1.525 249 F HN 0.590 nan 8.300 nan 0.000 0.528 250 D N 2.401 122.557 120.400 -0.407 0.000 2.525 250 D HA -0.114 4.525 4.640 -0.001 0.000 0.235 250 D C 0.197 176.458 176.300 -0.065 0.000 1.137 250 D CA 0.860 54.664 54.000 -0.326 0.000 0.868 250 D CB 0.454 41.071 40.800 -0.304 0.000 1.180 250 D HN 0.544 nan 8.370 nan 0.000 0.465 251 D N 2.114 122.513 120.400 -0.002 0.000 3.218 251 D HA -0.193 4.446 4.640 -0.001 0.000 0.213 251 D C -1.269 175.062 176.300 0.052 0.000 1.192 251 D CA 0.366 54.398 54.000 0.054 0.000 0.940 251 D CB -0.523 40.326 40.800 0.081 0.000 0.841 251 D HN 0.056 nan 8.370 nan 0.000 0.391 252 V N 3.082 123.038 119.914 0.070 0.000 2.567 252 V HA 0.433 4.553 4.120 -0.001 0.000 0.289 252 V C 1.439 177.554 176.094 0.037 0.000 1.049 252 V CA 0.203 62.530 62.300 0.046 0.000 0.969 252 V CB 1.745 33.617 31.823 0.082 0.000 0.995 252 V HN 0.540 nan 8.190 nan 0.000 0.471 253 V N 1.057 120.974 119.914 0.006 0.000 3.480 253 V HA 0.320 4.439 4.120 -0.001 0.000 0.263 253 V C 0.572 176.648 176.094 -0.030 0.000 1.442 253 V CA -0.016 62.280 62.300 -0.007 0.000 1.053 253 V CB -0.164 31.659 31.823 -0.001 0.000 0.846 253 V HN 0.724 nan 8.190 nan 0.000 0.440 254 Q N 2.242 122.015 119.800 -0.045 0.000 2.261 254 Q HA 0.205 4.544 4.340 -0.001 0.000 0.252 254 Q C 0.943 176.906 176.000 -0.062 0.000 0.915 254 Q CA 0.024 55.788 55.803 -0.065 0.000 0.915 254 Q CB 1.637 30.318 28.738 -0.095 0.000 1.204 254 Q HN 0.605 nan 8.270 nan 0.000 0.421 255 E N 2.622 122.786 120.200 -0.059 0.000 2.435 255 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 255 E C 0.524 177.101 176.600 -0.037 0.000 1.029 255 E CA 0.767 57.139 56.400 -0.048 0.000 0.865 255 E CB 0.316 29.983 29.700 -0.056 0.000 0.833 255 E HN 0.518 nan 8.360 nan 0.000 0.510 256 E N 1.076 121.237 120.200 -0.066 0.000 2.106 256 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 256 E C 1.756 178.273 176.600 -0.138 0.000 0.984 256 E CA 1.336 57.692 56.400 -0.074 0.000 0.806 256 E CB -0.343 29.273 29.700 -0.141 0.000 0.750 256 E HN 0.284 nan 8.360 nan 0.000 0.458 257 T N 1.275 115.704 114.554 -0.209 0.000 2.737 257 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 257 T C 1.822 176.551 174.700 0.048 0.000 1.040 257 T CA 1.032 63.017 62.100 -0.191 0.000 1.142 257 T CB -0.122 68.650 68.868 -0.159 0.000 0.861 257 T HN 0.014 nan 8.240 nan 0.000 0.456 258 I N 0.904 121.530 120.570 0.094 0.000 2.353 258 I HA -0.018 4.152 4.170 -0.001 0.000 0.248 258 I C 2.387 178.608 176.117 0.173 0.000 1.119 258 I CA 0.972 62.381 61.300 0.183 0.000 1.417 258 I CB -0.462 37.568 38.000 0.049 0.000 1.078 258 I HN 0.128 nan 8.210 nan 0.000 0.421 259 R N -0.925 119.649 120.500 0.122 0.000 2.117 259 R HA -0.237 4.103 4.340 -0.001 0.000 0.243 259 R C 2.158 178.592 176.300 0.222 0.000 1.143 259 R CA 1.767 57.956 56.100 0.149 0.000 0.968 259 R CB -0.679 29.708 30.300 0.146 0.000 0.863 259 R HN 0.350 nan 8.270 nan 0.000 0.444 260 W N 0.735 121.970 121.300 -0.108 0.000 2.379 260 W HA 0.016 4.676 4.660 -0.001 0.000 0.307 260 W C 2.534 179.092 176.519 0.064 0.000 1.200 260 W CA 1.039 58.236 57.345 -0.246 0.000 1.297 260 W CB -0.799 28.082 29.460 -0.964 0.000 1.140 260 W HN 0.123 nan 8.180 nan 0.000 0.507 261 A N -0.700 122.438 122.820 0.530 0.000 2.172 261 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 261 A C 1.889 179.734 177.584 0.434 0.000 1.154 261 A CA 1.495 53.855 52.037 0.540 0.000 0.701 261 A CB -0.525 18.826 19.000 0.585 0.000 0.789 261 A HN 0.454 nan 8.150 nan 0.000 0.465 262 Q N -0.912 119.194 119.800 0.510 0.000 2.384 262 Q HA 0.010 4.349 4.340 -0.001 0.000 0.207 262 Q C 1.247 177.360 176.000 0.188 0.000 0.904 262 Q CA 0.390 56.432 55.803 0.398 0.000 0.933 262 Q CB 0.205 29.206 28.738 0.439 0.000 1.077 262 Q HN 0.799 nan 8.270 nan 0.000 0.522 263 E N 0.004 120.272 120.200 0.113 0.000 2.158 263 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 263 E C 1.530 178.134 176.600 0.007 0.000 0.982 263 E CA 0.510 56.909 56.400 -0.001 0.000 0.823 263 E CB 0.356 29.965 29.700 -0.152 0.000 0.766 263 E HN 0.275 nan 8.360 nan 0.000 0.468 264 L N 0.284 121.542 121.223 0.058 0.000 2.567 264 L HA 0.169 4.508 4.340 -0.001 0.000 0.225 264 L C -0.140 176.786 176.870 0.093 0.000 1.119 264 L CA 0.091 54.975 54.840 0.073 0.000 0.871 264 L CB 0.008 42.152 42.059 0.142 0.000 1.036 264 L HN 0.076 nan 8.230 nan 0.000 0.459 265 R N 1.020 121.581 120.500 0.100 0.000 3.079 265 R HA -0.139 4.201 4.340 -0.001 0.000 0.254 265 R C -0.905 175.439 176.300 0.072 0.000 0.900 265 R CA 0.294 56.446 56.100 0.085 0.000 0.641 265 R CB -1.703 28.643 30.300 0.077 0.000 1.307 265 R HN 0.234 nan 8.270 nan 0.000 0.477 266 L N 1.316 122.555 121.223 0.026 0.000 2.325 266 L HA 0.450 4.789 4.340 -0.001 0.000 0.278 266 L C 0.791 177.532 176.870 -0.214 0.000 1.023 266 L CA -0.860 54.002 54.840 0.036 0.000 0.811 266 L CB 1.773 43.919 42.059 0.144 0.000 1.249 266 L HN 0.211 nan 8.230 nan 0.000 0.431 267 R N 2.077 122.468 120.500 -0.182 0.000 2.248 267 R HA 0.305 4.644 4.340 -0.001 0.000 0.337 267 R C -0.627 175.284 176.300 -0.647 0.000 1.085 267 R CA -0.180 55.594 56.100 -0.543 0.000 0.934 267 R CB 0.123 30.338 30.300 -0.141 0.000 1.034 267 R HN 0.699 nan 8.270 nan 0.000 0.465 268 C N 1.308 120.041 119.300 -0.945 0.000 2.898 268 C HA 0.611 5.071 4.460 -0.001 0.000 0.304 268 C C -0.391 174.214 174.990 -0.640 0.000 1.237 268 C CA -1.362 57.254 59.018 -0.670 0.000 1.529 268 C CB 1.068 28.571 27.740 -0.396 0.000 2.021 268 C HN 0.677 nan 8.230 nan 0.000 0.474 269 L N 2.032 122.985 121.223 -0.449 0.000 2.331 269 L HA 0.882 5.221 4.340 -0.001 0.000 0.275 269 L C -1.039 175.720 176.870 -0.186 0.000 1.022 269 L CA -0.286 54.376 54.840 -0.297 0.000 0.812 269 L CB 1.903 43.812 42.059 -0.251 0.000 1.257 269 L HN 0.794 nan 8.230 nan 0.000 0.435 270 V N 1.871 121.738 119.914 -0.078 0.000 2.686 270 V HA 0.343 4.462 4.120 -0.001 0.000 0.306 270 V C -0.080 176.095 176.094 0.136 0.000 1.065 270 V CA -0.636 61.727 62.300 0.106 0.000 0.894 270 V CB 2.225 34.230 31.823 0.304 0.000 1.004 270 V HN 0.863 nan 8.190 nan 0.000 0.424 271 T N 0.839 115.435 114.554 0.071 0.000 2.771 271 T HA 0.732 5.081 4.350 -0.001 0.000 0.281 271 T C -0.437 174.338 174.700 0.125 0.000 0.982 271 T CA -0.366 61.781 62.100 0.077 0.000 0.978 271 T CB 1.447 70.311 68.868 -0.008 0.000 0.930 271 T HN 0.854 nan 8.240 nan 0.000 0.447 272 T N 2.337 116.984 114.554 0.156 0.000 2.894 272 T HA 0.460 4.809 4.350 -0.001 0.000 0.309 272 T C 0.764 175.527 174.700 0.104 0.000 1.208 272 T CA -0.901 61.279 62.100 0.132 0.000 1.016 272 T CB 1.579 70.538 68.868 0.152 0.000 1.192 272 T HN 0.601 nan 8.240 nan 0.000 0.491 273 R N 1.234 121.775 120.500 0.068 0.000 2.057 273 R HA 0.125 4.464 4.340 -0.001 0.000 0.224 273 R C 0.219 176.529 176.300 0.015 0.000 1.136 273 R CA 0.385 56.513 56.100 0.046 0.000 0.968 273 R CB -0.636 29.683 30.300 0.031 0.000 0.863 273 R HN 0.636 nan 8.270 nan 0.000 0.433 274 D N 0.949 121.340 120.400 -0.015 0.000 2.312 274 D HA 0.062 4.701 4.640 -0.001 0.000 0.252 274 D C 0.963 177.189 176.300 -0.123 0.000 1.150 274 D CA -0.059 53.901 54.000 -0.066 0.000 0.870 274 D CB 1.670 42.430 40.800 -0.067 0.000 1.153 274 D HN -0.214 nan 8.370 nan 0.000 0.457 275 V N 3.777 123.574 119.914 -0.195 0.000 3.174 275 V HA -0.033 4.086 4.120 -0.001 0.000 0.254 275 V C 1.837 177.691 176.094 -0.400 0.000 1.120 275 V CA 0.774 62.869 62.300 -0.343 0.000 1.114 275 V CB -0.605 30.912 31.823 -0.509 0.000 0.756 275 V HN 0.602 nan 8.190 nan 0.000 0.467 276 E N 1.236 121.267 120.200 -0.282 0.000 2.478 276 E HA -0.090 4.260 4.350 -0.001 0.000 0.198 276 E C 1.937 178.401 176.600 -0.226 0.000 1.046 276 E CA 0.974 57.228 56.400 -0.243 0.000 0.870 276 E CB -0.264 29.334 29.700 -0.169 0.000 0.818 276 E HN 0.758 nan 8.360 nan 0.000 0.527 277 I N 0.061 120.481 120.570 -0.249 0.000 2.953 277 I HA -0.204 3.965 4.170 -0.001 0.000 0.271 277 I C 2.139 178.099 176.117 -0.262 0.000 1.286 277 I CA 1.028 62.201 61.300 -0.211 0.000 1.449 277 I CB -0.630 37.272 38.000 -0.164 0.000 1.086 277 I HN -0.024 nan 8.210 nan 0.000 0.483 278 S N 0.847 116.319 115.700 -0.380 0.000 2.496 278 S HA 0.003 4.472 4.470 -0.001 0.000 0.224 278 S C 1.574 176.138 174.600 -0.059 0.000 0.996 278 S CA 0.364 58.412 58.200 -0.253 0.000 0.927 278 S CB -0.478 62.625 63.200 -0.162 0.000 0.774 278 S HN 0.442 nan 8.310 nan 0.000 0.524 279 N N 3.175 121.823 118.700 -0.088 0.000 2.223 279 N HA 0.074 4.813 4.740 -0.001 0.000 0.185 279 N C 1.696 177.184 175.510 -0.036 0.000 1.016 279 N CA 1.296 54.321 53.050 -0.043 0.000 0.863 279 N CB -0.847 37.606 38.487 -0.057 0.000 0.983 279 N HN 0.631 nan 8.380 nan 0.000 0.429 280 A N -0.180 122.604 122.820 -0.059 0.000 2.225 280 A HA 0.230 4.550 4.320 -0.001 0.000 0.215 280 A C 0.918 178.469 177.584 -0.053 0.000 1.164 280 A CA 0.976 52.985 52.037 -0.047 0.000 0.710 280 A CB -0.350 18.621 19.000 -0.049 0.000 0.780 280 A HN 0.285 nan 8.150 nan 0.000 0.473 281 A N 0.518 123.293 122.820 -0.074 0.000 2.287 281 A HA 0.558 4.877 4.320 -0.001 0.000 0.317 281 A C 0.351 177.950 177.584 0.026 0.000 1.220 281 A CA 0.115 52.106 52.037 -0.076 0.000 0.835 281 A CB 0.597 19.419 19.000 -0.296 0.000 1.180 281 A HN 0.819 nan 8.150 nan 0.000 0.500 282 S N 2.526 118.261 115.700 0.058 0.000 3.158 282 S HA 0.571 5.040 4.470 -0.001 0.000 0.215 282 S C -0.341 174.325 174.600 0.109 0.000 1.359 282 S CA -0.442 57.803 58.200 0.076 0.000 0.974 282 S CB -0.055 63.182 63.200 0.062 0.000 1.336 282 S HN 0.839 nan 8.310 nan 0.000 0.488 283 Q N 0.581 120.460 119.800 0.132 0.000 2.782 283 Q HA 0.332 4.672 4.340 -0.001 0.000 0.308 283 Q C -1.256 174.840 176.000 0.160 0.000 0.883 283 Q CA -0.769 55.138 55.803 0.173 0.000 0.755 283 Q CB 1.130 30.037 28.738 0.281 0.000 1.454 283 Q HN 0.481 nan 8.270 nan 0.000 0.452 284 T N 0.571 115.225 114.554 0.167 0.000 2.972 284 T HA 0.106 4.455 4.350 -0.001 0.000 0.245 284 T C -0.368 174.425 174.700 0.155 0.000 0.977 284 T CA 0.181 62.363 62.100 0.136 0.000 1.266 284 T CB -1.321 67.627 68.868 0.134 0.000 0.985 284 T HN 0.334 nan 8.240 nan 0.000 0.605 285 C N 3.986 123.328 119.300 0.069 0.000 2.251 285 C HA 0.504 4.963 4.460 -0.001 0.000 0.323 285 C C 0.552 175.310 174.990 -0.388 0.000 1.241 285 C CA -0.774 58.196 59.018 -0.080 0.000 1.601 285 C CB -0.357 27.398 27.740 0.025 0.000 2.251 285 C HN 0.761 nan 8.230 nan 0.000 0.488 286 E N 1.880 121.835 120.200 -0.407 0.000 2.212 286 E HA 0.762 5.111 4.350 -0.001 0.000 0.268 286 E C -1.124 175.237 176.600 -0.398 0.000 0.902 286 E CA -0.201 55.995 56.400 -0.341 0.000 0.779 286 E CB 1.216 30.879 29.700 -0.061 0.000 1.172 286 E HN 0.496 nan 8.360 nan 0.000 0.409 287 F N 1.886 121.990 119.950 0.257 0.000 2.563 287 F HA 0.586 5.112 4.527 -0.001 0.000 0.316 287 F C -0.180 175.755 175.800 0.225 0.000 1.076 287 F CA -0.916 57.280 58.000 0.327 0.000 0.921 287 F CB 1.289 40.539 39.000 0.416 0.000 1.209 287 F HN 0.176 nan 8.300 nan 0.000 0.462 288 I N 1.591 122.361 120.570 0.333 0.000 2.439 288 I HA 0.232 4.401 4.170 -0.001 0.000 0.285 288 I C -0.412 175.579 176.117 -0.211 0.000 1.021 288 I CA -0.565 60.802 61.300 0.113 0.000 1.091 288 I CB 1.831 39.879 38.000 0.081 0.000 1.242 288 I HN 0.693 nan 8.210 nan 0.000 0.439 289 E N 5.525 125.596 120.200 -0.216 0.000 2.383 289 E HA 0.267 4.617 4.350 -0.001 0.000 0.264 289 E C -1.046 175.408 176.600 -0.244 0.000 1.050 289 E CA -0.423 55.697 56.400 -0.466 0.000 0.896 289 E CB 1.310 31.046 29.700 0.059 0.000 0.982 289 E HN 0.381 nan 8.360 nan 0.000 0.424 290 V N 4.989 124.734 119.914 -0.283 0.000 2.239 290 V HA 0.120 4.239 4.120 -0.001 0.000 0.267 290 V C 0.183 176.176 176.094 -0.168 0.000 1.056 290 V CA -0.673 61.434 62.300 -0.321 0.000 0.830 290 V CB 0.013 31.664 31.823 -0.287 0.000 1.090 290 V HN 0.842 nan 8.190 nan 0.000 0.459 291 T N 1.351 115.856 114.554 -0.081 0.000 2.855 291 T HA 0.135 4.484 4.350 -0.001 0.000 0.322 291 T C 0.660 175.373 174.700 0.022 0.000 1.088 291 T CA -0.376 61.742 62.100 0.030 0.000 1.104 291 T CB 0.324 69.264 68.868 0.120 0.000 0.996 291 T HN 0.522 nan 8.240 nan 0.000 0.549 292 S N 1.205 116.940 115.700 0.059 0.000 2.558 292 S HA 0.079 4.548 4.470 -0.001 0.000 0.291 292 S C 0.666 175.321 174.600 0.091 0.000 1.306 292 S CA -0.686 57.558 58.200 0.072 0.000 1.056 292 S CB -0.163 63.093 63.200 0.093 0.000 0.836 292 S HN 0.553 nan 8.310 nan 0.000 0.504 293 L N 3.310 124.588 121.223 0.091 0.000 2.660 293 L HA -0.014 4.326 4.340 -0.001 0.000 0.272 293 L C 1.022 177.982 176.870 0.149 0.000 1.194 293 L CA -0.012 54.898 54.840 0.117 0.000 0.945 293 L CB 0.087 42.215 42.059 0.115 0.000 1.212 293 L HN 0.625 nan 8.230 nan 0.000 0.490 294 E N 3.004 123.310 120.200 0.177 0.000 2.467 294 E HA -0.102 4.247 4.350 -0.001 0.000 0.264 294 E C 1.100 177.813 176.600 0.187 0.000 1.020 294 E CA -0.017 56.492 56.400 0.182 0.000 0.945 294 E CB 0.718 30.538 29.700 0.199 0.000 0.942 294 E HN 0.368 nan 8.360 nan 0.000 0.449 295 I N 2.106 122.784 120.570 0.180 0.000 2.614 295 I HA -0.227 3.942 4.170 -0.001 0.000 0.258 295 I C 1.345 177.637 176.117 0.293 0.000 1.189 295 I CA 1.152 62.574 61.300 0.204 0.000 1.462 295 I CB -1.297 36.815 38.000 0.185 0.000 1.092 295 I HN 0.442 nan 8.210 nan 0.000 0.442 296 D N 0.607 121.156 120.400 0.249 0.000 2.149 296 D HA -0.121 4.518 4.640 -0.001 0.000 0.206 296 D C 1.911 178.388 176.300 0.294 0.000 0.967 296 D CA 0.487 54.640 54.000 0.256 0.000 0.848 296 D CB -0.419 40.468 40.800 0.146 0.000 0.998 296 D HN 0.267 nan 8.370 nan 0.000 0.474 297 E N 0.185 120.542 120.200 0.263 0.000 2.085 297 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 297 E C 2.281 179.089 176.600 0.346 0.000 0.994 297 E CA 1.665 58.248 56.400 0.304 0.000 0.801 297 E CB -0.243 29.629 29.700 0.286 0.000 0.743 297 E HN 0.586 nan 8.360 nan 0.000 0.453 298 C N -0.262 119.208 119.300 0.284 0.000 2.413 298 C HA -0.161 4.298 4.460 -0.001 0.000 0.276 298 C C 2.366 177.518 174.990 0.270 0.000 1.236 298 C CA 0.453 59.630 59.018 0.265 0.000 1.735 298 C CB -1.531 26.301 27.740 0.153 0.000 2.031 298 C HN 0.349 nan 8.230 nan 0.000 0.474 299 Y N 2.624 123.033 120.300 0.182 0.000 2.096 299 Y HA -0.267 4.282 4.550 -0.001 0.000 0.278 299 Y C 2.431 178.441 175.900 0.184 0.000 1.192 299 Y CA 2.493 60.680 58.100 0.145 0.000 1.143 299 Y CB -0.421 38.109 38.460 0.116 0.000 0.963 299 Y HN 0.358 nan 8.280 nan 0.000 0.505 300 D N -0.773 119.880 120.400 0.421 0.000 2.097 300 D HA -0.197 4.442 4.640 -0.001 0.000 0.195 300 D C 1.914 178.513 176.300 0.499 0.000 0.989 300 D CA 1.048 55.281 54.000 0.389 0.000 0.827 300 D CB -0.853 40.167 40.800 0.367 0.000 0.966 300 D HN 0.228 nan 8.370 nan 0.000 0.456 301 F N 1.570 121.716 119.950 0.327 0.000 2.184 301 F HA -0.173 4.353 4.527 -0.001 0.000 0.301 301 F C 1.857 177.740 175.800 0.137 0.000 1.076 301 F CA 0.955 58.980 58.000 0.042 0.000 1.295 301 F CB -0.583 38.249 39.000 -0.281 0.000 1.026 301 F HN -0.069 nan 8.300 nan 0.000 0.494 302 L N -0.340 120.998 121.223 0.192 0.000 1.993 302 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 302 L C 2.485 179.426 176.870 0.118 0.000 1.074 302 L CA 1.850 56.760 54.840 0.116 0.000 0.746 302 L CB -1.106 40.986 42.059 0.056 0.000 0.896 302 L HN 0.028 nan 8.230 nan 0.000 0.435 303 E N 0.429 120.709 120.200 0.134 0.000 2.160 303 E HA -0.271 4.078 4.350 -0.001 0.000 0.195 303 E C 2.170 178.802 176.600 0.052 0.000 0.991 303 E CA 1.109 57.569 56.400 0.099 0.000 0.810 303 E CB 0.005 29.773 29.700 0.112 0.000 0.742 303 E HN 0.463 nan 8.360 nan 0.000 0.466 304 A N 0.259 123.115 122.820 0.059 0.000 1.917 304 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 304 A C 0.743 178.114 177.584 -0.354 0.000 1.182 304 A CA 1.261 53.237 52.037 -0.102 0.000 0.633 304 A CB -0.509 18.507 19.000 0.026 0.000 0.819 304 A HN 0.387 nan 8.150 nan 0.000 0.448 305 Y N 0.073 120.340 120.300 -0.055 0.000 2.921 305 Y HA 0.434 4.983 4.550 -0.001 0.000 0.346 305 Y C 1.402 177.275 175.900 -0.046 0.000 1.182 305 Y CA -0.305 57.719 58.100 -0.125 0.000 1.319 305 Y CB 0.043 38.257 38.460 -0.410 0.000 1.403 305 Y HN 0.317 nan 8.280 nan 0.000 0.554 306 G N 2.895 111.742 108.800 0.078 0.000 2.196 306 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 306 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 306 G C 0.035 174.979 174.900 0.073 0.000 0.790 306 G CA 0.241 45.382 45.100 0.067 0.000 1.061 306 G HN 0.323 nan 8.290 nan 0.000 0.430 307 M N 0.336 119.982 119.600 0.076 0.000 2.167 307 M HA 0.290 4.769 4.480 -0.001 0.000 0.333 307 M C -2.249 174.049 176.300 -0.003 0.000 1.030 307 M CA -2.777 52.542 55.300 0.033 0.000 0.963 307 M CB 1.501 34.138 32.600 0.061 0.000 1.589 307 M HN -0.136 nan 8.290 nan 0.000 0.431 308 P HA 0.137 nan 4.420 nan 0.000 0.264 308 P C -0.638 176.681 177.300 0.032 0.000 1.183 308 P CA 0.145 63.258 63.100 0.023 0.000 0.763 308 P CB 0.430 32.152 31.700 0.036 0.000 0.807 309 M N 5.121 124.820 119.600 0.165 0.000 2.423 309 M HA 0.389 4.869 4.480 -0.001 0.000 0.335 309 M C -2.088 174.443 176.300 0.385 0.000 1.177 309 M CA -2.466 52.975 55.300 0.235 0.000 1.038 309 M CB 0.743 33.459 32.600 0.195 0.000 1.641 309 M HN 0.212 nan 8.290 nan 0.000 0.455 310 P HA -0.005 nan 4.420 nan 0.000 0.263 310 P C 0.024 177.419 177.300 0.158 0.000 1.195 310 P CA 0.077 63.435 63.100 0.429 0.000 0.762 310 P CB 0.509 32.408 31.700 0.332 0.000 0.799 311 V N 3.465 123.361 119.914 -0.030 0.000 2.374 311 V HA 0.048 4.167 4.120 -0.001 0.000 0.241 311 V C 1.890 177.943 176.094 -0.069 0.000 1.034 311 V CA 2.112 64.369 62.300 -0.072 0.000 1.037 311 V CB -0.928 30.801 31.823 -0.156 0.000 0.682 311 V HN 0.727 nan 8.190 nan 0.000 0.463 312 G N -1.314 107.412 108.800 -0.123 0.000 2.975 312 G HA2 0.189 4.148 3.960 -0.001 0.000 0.159 312 G HA3 0.189 4.148 3.960 -0.001 0.000 0.159 312 G C 0.738 175.627 174.900 -0.019 0.000 1.525 312 G CA 0.556 45.612 45.100 -0.074 0.000 1.075 312 G HN 0.298 nan 8.290 nan 0.000 0.574 313 E N -0.943 119.250 120.200 -0.011 0.000 2.538 313 E HA 0.136 4.485 4.350 -0.001 0.000 0.188 313 E C 1.269 177.892 176.600 0.038 0.000 1.014 313 E CA -0.193 56.219 56.400 0.021 0.000 1.140 313 E CB 0.332 30.040 29.700 0.013 0.000 1.262 313 E HN 0.199 nan 8.360 nan 0.000 0.488 314 K N 1.337 121.750 120.400 0.023 0.000 3.025 314 K HA 0.002 4.321 4.320 -0.001 0.000 0.260 314 K C 0.735 177.367 176.600 0.053 0.000 1.023 314 K CA 0.254 56.562 56.287 0.036 0.000 1.194 314 K CB 0.145 32.657 32.500 0.021 0.000 1.094 314 K HN 0.259 nan 8.250 nan 0.000 0.460 315 E N -0.999 119.242 120.200 0.069 0.000 2.367 315 E HA -0.096 4.253 4.350 -0.001 0.000 0.204 315 E C 1.045 177.860 176.600 0.358 0.000 0.840 315 E CA 0.102 56.608 56.400 0.176 0.000 1.051 315 E CB 0.012 29.620 29.700 -0.154 0.000 1.051 315 E HN 0.309 nan 8.360 nan 0.000 0.509 316 E N 2.054 122.412 120.200 0.264 0.000 2.204 316 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 316 E C 1.085 177.781 176.600 0.159 0.000 0.990 316 E CA 1.512 58.060 56.400 0.246 0.000 0.821 316 E CB -0.139 29.702 29.700 0.235 0.000 0.750 316 E HN 0.112 nan 8.360 nan 0.000 0.477 317 D N 0.758 121.233 120.400 0.125 0.000 2.117 317 D HA -0.075 4.564 4.640 -0.001 0.000 0.198 317 D C 1.432 177.774 176.300 0.069 0.000 0.982 317 D CA 0.865 54.916 54.000 0.085 0.000 0.828 317 D CB 0.019 40.858 40.800 0.065 0.000 0.967 317 D HN 0.085 nan 8.370 nan 0.000 0.464 318 V N 1.442 121.413 119.914 0.095 0.000 3.544 318 V HA 0.028 4.147 4.120 -0.001 0.000 0.304 318 V C 1.583 177.702 176.094 0.042 0.000 1.256 318 V CA 0.423 62.772 62.300 0.081 0.000 1.232 318 V CB -0.466 31.429 31.823 0.120 0.000 1.065 318 V HN 0.170 nan 8.190 nan 0.000 0.423 319 L N -1.279 119.955 121.223 0.018 0.000 2.600 319 L HA 0.279 4.619 4.340 -0.001 0.000 0.213 319 L C 1.992 178.813 176.870 -0.082 0.000 1.045 319 L CA 0.679 55.463 54.840 -0.093 0.000 0.863 319 L CB -0.016 41.968 42.059 -0.125 0.000 1.189 319 L HN 0.146 nan 8.230 nan 0.000 0.484 320 N N 1.183 119.872 118.700 -0.019 0.000 2.348 320 N HA -0.213 4.526 4.740 -0.001 0.000 0.185 320 N C 1.543 177.054 175.510 0.001 0.000 1.019 320 N CA 1.158 54.210 53.050 0.004 0.000 0.880 320 N CB -0.230 38.291 38.487 0.056 0.000 0.965 320 N HN 0.299 nan 8.380 nan 0.000 0.437 321 K N 1.109 121.507 120.400 -0.004 0.000 2.032 321 K HA -0.037 4.282 4.320 -0.001 0.000 0.209 321 K C 1.753 178.340 176.600 -0.022 0.000 1.048 321 K CA 1.618 57.894 56.287 -0.020 0.000 0.927 321 K CB -0.749 31.747 32.500 -0.008 0.000 0.712 321 K HN 0.066 nan 8.250 nan 0.000 0.441 322 T N 1.046 115.597 114.554 -0.004 0.000 2.812 322 T HA 0.013 4.362 4.350 -0.001 0.000 0.264 322 T C 1.843 176.555 174.700 0.020 0.000 1.042 322 T CA 1.463 63.589 62.100 0.043 0.000 1.140 322 T CB -0.207 68.697 68.868 0.060 0.000 0.870 322 T HN 0.169 nan 8.240 nan 0.000 0.445 323 I N 1.217 121.775 120.570 -0.020 0.000 2.361 323 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 323 I C 2.681 178.831 176.117 0.055 0.000 1.133 323 I CA 1.340 62.646 61.300 0.011 0.000 1.413 323 I CB -0.414 37.576 38.000 -0.016 0.000 1.073 323 I HN 0.351 nan 8.210 nan 0.000 0.424 324 E N 1.724 121.944 120.200 0.035 0.000 2.072 324 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 324 E C 2.308 178.916 176.600 0.013 0.000 0.985 324 E CA 0.983 57.411 56.400 0.047 0.000 0.801 324 E CB 0.032 29.720 29.700 -0.020 0.000 0.750 324 E HN 0.419 nan 8.360 nan 0.000 0.452 325 L N 0.840 122.028 121.223 -0.058 0.000 1.948 325 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 325 L C 2.341 179.269 176.870 0.097 0.000 1.074 325 L CA 1.429 56.250 54.840 -0.033 0.000 0.753 325 L CB -0.674 41.359 42.059 -0.042 0.000 0.888 325 L HN 0.206 nan 8.230 nan 0.000 0.432 326 S N -0.390 115.364 115.700 0.091 0.000 3.048 326 S HA 0.008 4.477 4.470 -0.001 0.000 0.254 326 S C 0.756 175.434 174.600 0.130 0.000 1.084 326 S CA -0.295 57.975 58.200 0.116 0.000 1.195 326 S CB -0.818 62.455 63.200 0.122 0.000 0.870 326 S HN 0.277 nan 8.310 nan 0.000 0.483 327 S N 2.142 117.934 115.700 0.153 0.000 3.388 327 S HA 0.058 4.527 4.470 -0.001 0.000 0.134 327 S C 1.199 175.877 174.600 0.131 0.000 0.306 327 S CA 0.741 59.036 58.200 0.159 0.000 1.409 327 S CB -1.856 61.456 63.200 0.186 0.000 0.732 327 S HN 1.656 nan 8.310 nan 0.000 0.223 328 G N 2.062 110.937 108.800 0.124 0.000 2.415 328 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.283 328 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.283 328 G C -0.383 174.581 174.900 0.107 0.000 1.014 328 G CA -0.133 45.037 45.100 0.117 0.000 1.323 328 G HN 0.669 nan 8.290 nan 0.000 0.502 329 N N 1.741 120.515 118.700 0.125 0.000 2.581 329 N HA 0.311 5.050 4.740 -0.001 0.000 0.279 329 N C -1.522 174.083 175.510 0.159 0.000 1.124 329 N CA -1.436 51.685 53.050 0.117 0.000 0.833 329 N CB 2.019 40.573 38.487 0.112 0.000 1.338 329 N HN -0.000 nan 8.380 nan 0.000 0.533 330 P HA -0.216 nan 4.420 nan 0.000 0.216 330 P C 1.081 178.518 177.300 0.228 0.000 1.167 330 P CA 1.970 65.169 63.100 0.166 0.000 0.933 330 P CB 0.304 31.978 31.700 -0.042 0.000 0.793 331 A N -1.319 121.581 122.820 0.133 0.000 1.933 331 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 331 A C 2.082 179.816 177.584 0.249 0.000 1.175 331 A CA 2.473 54.617 52.037 0.179 0.000 0.628 331 A CB -1.851 17.262 19.000 0.187 0.000 0.814 331 A HN 0.308 nan 8.150 nan 0.000 0.444 332 T N -0.344 114.339 114.554 0.215 0.000 3.055 332 T HA 0.099 4.449 4.350 -0.001 0.000 0.265 332 T C 1.663 176.481 174.700 0.196 0.000 1.111 332 T CA 0.967 63.172 62.100 0.175 0.000 1.118 332 T CB -0.204 68.741 68.868 0.128 0.000 0.909 332 T HN 0.309 nan 8.240 nan 0.000 0.501 333 L N -0.100 121.282 121.223 0.265 0.000 2.023 333 L HA 0.084 4.423 4.340 -0.001 0.000 0.205 333 L C 2.661 179.805 176.870 0.458 0.000 1.073 333 L CA 0.932 55.959 54.840 0.311 0.000 0.745 333 L CB -0.478 41.838 42.059 0.428 0.000 0.900 333 L HN 0.162 nan 8.230 nan 0.000 0.435 334 M N -0.511 119.385 119.600 0.494 0.000 2.144 334 M HA -0.264 4.215 4.480 -0.001 0.000 0.260 334 M C 2.199 178.692 176.300 0.322 0.000 1.067 334 M CA 1.953 57.489 55.300 0.393 0.000 1.095 334 M CB -0.351 32.353 32.600 0.174 0.000 1.365 334 M HN 0.121 nan 8.290 nan 0.000 0.406 335 M N -2.056 117.690 119.600 0.244 0.000 2.279 335 M HA -0.190 4.289 4.480 -0.001 0.000 0.264 335 M C 1.958 178.356 176.300 0.163 0.000 1.062 335 M CA 1.505 56.903 55.300 0.164 0.000 1.099 335 M CB -0.506 32.163 32.600 0.115 0.000 1.394 335 M HN 0.334 nan 8.290 nan 0.000 0.426 336 F N 0.077 120.016 119.950 -0.019 0.000 2.059 336 F HA -0.181 4.346 4.527 -0.001 0.000 0.289 336 F C 1.843 177.529 175.800 -0.191 0.000 1.128 336 F CA 0.804 58.694 58.000 -0.183 0.000 1.181 336 F CB -0.093 38.672 39.000 -0.391 0.000 1.012 336 F HN -0.073 nan 8.300 nan 0.000 0.473 337 F N 1.043 121.026 119.950 0.055 0.000 2.037 337 F HA -0.359 4.167 4.527 -0.001 0.000 0.296 337 F C 2.203 177.993 175.800 -0.017 0.000 1.132 337 F CA 1.792 59.734 58.000 -0.096 0.000 1.211 337 F CB -1.425 37.442 39.000 -0.221 0.000 0.951 337 F HN -0.147 nan 8.300 nan 0.000 0.503 338 K N -0.010 120.522 120.400 0.220 0.000 2.259 338 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 338 K C 1.514 178.173 176.600 0.097 0.000 1.044 338 K CA 1.697 58.051 56.287 0.113 0.000 0.931 338 K CB -0.573 31.981 32.500 0.090 0.000 0.726 338 K HN 0.202 nan 8.250 nan 0.000 0.467 339 S N -1.454 114.320 115.700 0.124 0.000 2.663 339 S HA 0.108 4.577 4.470 -0.001 0.000 0.243 339 S C -0.281 174.395 174.600 0.128 0.000 1.009 339 S CA -0.554 57.702 58.200 0.093 0.000 0.988 339 S CB 0.383 63.611 63.200 0.047 0.000 0.896 339 S HN 0.301 nan 8.310 nan 0.000 0.502 340 C N 3.569 122.955 119.300 0.144 0.000 2.225 340 C HA 0.337 4.796 4.460 -0.001 0.000 0.437 340 C C 1.541 176.561 174.990 0.050 0.000 1.039 340 C CA -0.632 58.450 59.018 0.105 0.000 1.406 340 C CB -1.957 25.772 27.740 -0.017 0.000 1.548 340 C HN 0.589 nan 8.230 nan 0.000 0.515 341 E N 2.750 122.981 120.200 0.051 0.000 2.007 341 E HA -0.187 4.162 4.350 -0.001 0.000 0.203 341 E C -0.448 176.171 176.600 0.031 0.000 1.020 341 E CA 1.689 58.112 56.400 0.039 0.000 0.845 341 E CB -0.841 28.880 29.700 0.033 0.000 0.779 341 E HN 0.581 nan 8.360 nan 0.000 0.466 342 P HA -0.162 nan 4.420 nan 0.000 0.214 342 P C 0.414 177.729 177.300 0.024 0.000 1.163 342 P CA 1.561 64.678 63.100 0.028 0.000 0.883 342 P CB 0.155 31.874 31.700 0.032 0.000 0.788 343 K N -3.360 117.046 120.400 0.011 0.000 3.223 343 K HA -0.054 4.265 4.320 -0.001 0.000 0.249 343 K C -0.668 175.921 176.600 -0.018 0.000 1.358 343 K CA 0.322 56.599 56.287 -0.017 0.000 0.826 343 K CB -1.872 30.629 32.500 0.002 0.000 1.868 343 K HN 0.191 nan 8.250 nan 0.000 0.533 344 T N 0.074 114.641 114.554 0.021 0.000 2.874 344 T HA 0.316 4.665 4.350 -0.001 0.000 0.281 344 T C 1.040 175.787 174.700 0.079 0.000 0.994 344 T CA -0.450 61.704 62.100 0.091 0.000 1.015 344 T CB 0.336 69.266 68.868 0.104 0.000 1.028 344 T HN 0.082 nan 8.240 nan 0.000 0.523 345 F N 0.374 120.315 119.950 -0.015 0.000 2.202 345 F HA -0.088 4.438 4.527 -0.001 0.000 0.301 345 F C 2.530 178.328 175.800 -0.003 0.000 1.082 345 F CA 1.313 59.303 58.000 -0.017 0.000 1.313 345 F CB -0.391 38.603 39.000 -0.009 0.000 1.024 345 F HN 0.765 nan 8.300 nan 0.000 0.495 346 E N 0.775 121.089 120.200 0.191 0.000 2.007 346 E HA -0.285 4.065 4.350 -0.001 0.000 0.203 346 E C 2.312 178.958 176.600 0.077 0.000 1.020 346 E CA 1.423 57.888 56.400 0.108 0.000 0.845 346 E CB -0.237 29.511 29.700 0.081 0.000 0.779 346 E HN 0.105 nan 8.360 nan 0.000 0.466 347 K N 0.620 121.057 120.400 0.062 0.000 2.283 347 K HA -0.119 4.201 4.320 -0.001 0.000 0.202 347 K C 2.077 178.721 176.600 0.074 0.000 1.048 347 K CA 0.778 57.097 56.287 0.054 0.000 0.948 347 K CB -0.293 32.234 32.500 0.045 0.000 0.742 347 K HN 0.318 nan 8.250 nan 0.000 0.458 348 M N 0.154 119.785 119.600 0.052 0.000 2.132 348 M HA -0.075 4.404 4.480 -0.001 0.000 0.263 348 M C 1.771 178.156 176.300 0.141 0.000 1.065 348 M CA 1.742 57.094 55.300 0.087 0.000 1.122 348 M CB -0.614 31.892 32.600 -0.156 0.000 1.365 348 M HN 0.034 nan 8.290 nan 0.000 0.411 349 A N 0.043 122.912 122.820 0.083 0.000 2.066 349 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 349 A C 1.961 179.575 177.584 0.050 0.000 1.157 349 A CA 1.053 53.134 52.037 0.073 0.000 0.670 349 A CB -0.644 18.402 19.000 0.076 0.000 0.804 349 A HN 0.728 nan 8.150 nan 0.000 0.453 350 Q N -0.489 119.339 119.800 0.046 0.000 2.181 350 Q HA -0.112 4.227 4.340 -0.001 0.000 0.205 350 Q C 1.866 177.863 176.000 -0.004 0.000 0.980 350 Q CA 1.273 57.089 55.803 0.021 0.000 0.862 350 Q CB -0.208 28.543 28.738 0.022 0.000 0.905 350 Q HN 0.679 nan 8.270 nan 0.000 0.429 351 L N 0.090 121.314 121.223 0.001 0.000 2.127 351 L HA -0.085 4.254 4.340 -0.001 0.000 0.203 351 L C 1.805 178.591 176.870 -0.141 0.000 1.080 351 L CA 0.438 55.212 54.840 -0.110 0.000 0.768 351 L CB -0.610 41.331 42.059 -0.198 0.000 0.924 351 L HN 0.212 nan 8.230 nan 0.000 0.444 352 N N 1.060 119.742 118.700 -0.031 0.000 2.242 352 N HA -0.209 4.531 4.740 -0.001 0.000 0.191 352 N C 1.449 176.933 175.510 -0.044 0.000 1.005 352 N CA 1.384 54.418 53.050 -0.026 0.000 0.877 352 N CB -0.354 38.148 38.487 0.025 0.000 0.983 352 N HN 0.413 nan 8.380 nan 0.000 0.439 353 N N 0.433 119.113 118.700 -0.034 0.000 2.220 353 N HA -0.021 4.718 4.740 -0.001 0.000 0.182 353 N C 1.471 176.961 175.510 -0.034 0.000 1.023 353 N CA 0.561 53.597 53.050 -0.025 0.000 0.856 353 N CB -0.288 38.193 38.487 -0.011 0.000 0.997 353 N HN 0.010 nan 8.380 nan 0.000 0.429 354 K N 0.968 121.333 120.400 -0.058 0.000 2.286 354 K HA -0.044 4.275 4.320 -0.001 0.000 0.203 354 K C 1.629 178.179 176.600 -0.084 0.000 1.045 354 K CA 0.411 56.656 56.287 -0.070 0.000 0.935 354 K CB -0.293 32.146 32.500 -0.101 0.000 0.737 354 K HN 0.188 nan 8.250 nan 0.000 0.460 355 L N 0.662 121.823 121.223 -0.103 0.000 2.084 355 L HA -0.074 4.266 4.340 -0.001 0.000 0.202 355 L C 1.816 178.678 176.870 -0.013 0.000 1.074 355 L CA 1.434 56.213 54.840 -0.101 0.000 0.757 355 L CB -0.767 41.207 42.059 -0.141 0.000 0.918 355 L HN 0.219 nan 8.230 nan 0.000 0.444 356 E N -0.256 119.949 120.200 0.008 0.000 2.267 356 E HA -0.164 4.185 4.350 -0.001 0.000 0.197 356 E C 1.289 177.962 176.600 0.121 0.000 0.998 356 E CA 1.328 57.767 56.400 0.064 0.000 0.830 356 E CB -0.003 29.713 29.700 0.027 0.000 0.751 356 E HN 0.442 nan 8.360 nan 0.000 0.491 357 S N -0.863 114.895 115.700 0.098 0.000 2.741 357 S HA 0.359 4.828 4.470 -0.001 0.000 0.247 357 S C 0.732 175.434 174.600 0.171 0.000 1.050 357 S CA -0.718 57.562 58.200 0.133 0.000 1.025 357 S CB 0.594 63.828 63.200 0.058 0.000 0.897 357 S HN 0.058 nan 8.310 nan 0.000 0.508 358 R N 0.107 120.690 120.500 0.138 0.000 2.402 358 R HA 0.261 4.600 4.340 -0.001 0.000 0.248 358 R C 0.999 176.929 176.300 -0.616 0.000 0.657 358 R CA 0.297 56.360 56.100 -0.062 0.000 0.883 358 R CB 0.415 30.680 30.300 -0.059 0.000 1.556 358 R HN 0.491 nan 8.270 nan 0.000 0.499 359 G N 1.595 109.891 108.800 -0.841 0.000 2.581 359 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.291 359 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.291 359 G C 0.452 175.148 174.900 -0.340 0.000 1.277 359 G CA 0.158 44.793 45.100 -0.775 0.000 0.959 359 G HN 0.058 nan 8.290 nan 0.000 0.554 360 L N 0.432 121.532 121.223 -0.206 0.000 2.362 360 L HA 0.079 4.418 4.340 -0.001 0.000 0.219 360 L C 2.950 179.754 176.870 -0.111 0.000 1.134 360 L CA 1.375 56.159 54.840 -0.094 0.000 0.807 360 L CB -0.579 41.490 42.059 0.016 0.000 0.927 360 L HN 0.432 nan 8.230 nan 0.000 0.447 361 V N -0.754 119.068 119.914 -0.154 0.000 3.510 361 V HA 0.048 4.168 4.120 -0.001 0.000 0.270 361 V C 2.028 178.058 176.094 -0.107 0.000 1.201 361 V CA 1.149 63.385 62.300 -0.107 0.000 1.166 361 V CB -0.896 30.867 31.823 -0.100 0.000 0.825 361 V HN 0.499 nan 8.190 nan 0.000 0.484 362 G N -1.092 107.623 108.800 -0.143 0.000 3.233 362 G HA2 0.222 4.181 3.960 -0.001 0.000 0.227 362 G HA3 0.222 4.181 3.960 -0.001 0.000 0.227 362 G C 0.786 175.595 174.900 -0.151 0.000 1.175 362 G CA 0.681 45.702 45.100 -0.132 0.000 0.781 362 G HN 0.355 nan 8.290 nan 0.000 0.542 363 V N -0.900 118.932 119.914 -0.137 0.000 3.443 363 V HA 0.249 4.368 4.120 -0.001 0.000 0.277 363 V C 0.545 176.602 176.094 -0.061 0.000 1.648 363 V CA -0.215 62.002 62.300 -0.138 0.000 1.058 363 V CB 0.310 31.993 31.823 -0.234 0.000 0.877 363 V HN 0.401 nan 8.190 nan 0.000 0.417 364 E N 1.066 121.239 120.200 -0.045 0.000 3.624 364 E HA -0.165 4.184 4.350 -0.001 0.000 0.247 364 E C -0.287 176.315 176.600 0.003 0.000 0.869 364 E CA 0.953 57.345 56.400 -0.013 0.000 0.946 364 E CB -0.225 29.463 29.700 -0.020 0.000 0.880 364 E HN 0.551 nan 8.360 nan 0.000 0.578 365 C N 3.854 123.171 119.300 0.028 0.000 3.235 365 C HA 0.512 4.971 4.460 -0.001 0.000 0.351 365 C C 0.150 175.170 174.990 0.050 0.000 1.520 365 C CA -0.811 58.230 59.018 0.038 0.000 1.474 365 C CB 0.754 28.524 27.740 0.051 0.000 2.019 365 C HN 0.789 nan 8.230 nan 0.000 0.446 366 I N 1.784 122.383 120.570 0.048 0.000 3.862 366 I HA 0.179 4.348 4.170 -0.001 0.000 0.328 366 I C 1.173 177.327 176.117 0.061 0.000 1.474 366 I CA 0.395 61.724 61.300 0.048 0.000 1.215 366 I CB -0.902 37.119 38.000 0.035 0.000 1.183 366 I HN 0.639 nan 8.210 nan 0.000 0.413 367 T N 2.086 116.692 114.554 0.086 0.000 2.939 367 T HA 0.018 4.367 4.350 -0.001 0.000 0.319 367 T C -1.337 173.432 174.700 0.115 0.000 1.082 367 T CA -0.633 61.530 62.100 0.105 0.000 1.133 367 T CB 0.659 69.623 68.868 0.160 0.000 1.019 367 T HN 0.114 nan 8.240 nan 0.000 0.548 368 P HA -0.023 nan 4.420 nan 0.000 0.231 368 P C -0.286 177.092 177.300 0.130 0.000 1.154 368 P CA 0.466 63.610 63.100 0.074 0.000 0.762 368 P CB -0.221 31.500 31.700 0.035 0.000 0.790 369 Y N 1.096 121.408 120.300 0.021 0.000 2.326 369 Y HA 0.087 4.636 4.550 -0.001 0.000 0.333 369 Y C 1.429 177.299 175.900 -0.050 0.000 1.240 369 Y CA -1.402 56.705 58.100 0.012 0.000 1.365 369 Y CB 0.446 38.955 38.460 0.081 0.000 1.289 369 Y HN -0.116 nan 8.280 nan 0.000 0.548 370 S N 3.040 118.835 115.700 0.158 0.000 2.840 370 S HA 0.250 4.719 4.470 -0.001 0.000 0.235 370 S C -0.809 173.431 174.600 -0.600 0.000 0.968 370 S CA -0.149 57.904 58.200 -0.245 0.000 1.026 370 S CB -1.036 61.980 63.200 -0.306 0.000 0.788 370 S HN 0.500 nan 8.310 nan 0.000 0.487 371 Y N -0.302 119.839 120.300 -0.265 0.000 2.513 371 Y HA 0.393 4.942 4.550 -0.002 0.000 0.340 371 Y C 0.911 176.706 175.900 -0.174 0.000 1.055 371 Y CA -1.553 56.352 58.100 -0.325 0.000 1.020 371 Y CB 1.310 39.378 38.460 -0.653 0.000 1.301 371 Y HN -0.239 nan 8.280 nan 0.000 0.453 372 K N 1.037 121.484 120.400 0.079 0.000 1.969 372 K HA -0.059 4.260 4.320 -0.001 0.000 0.220 372 K C 0.801 177.426 176.600 0.041 0.000 1.040 372 K CA 1.367 57.682 56.287 0.047 0.000 0.981 372 K CB -0.457 32.062 32.500 0.031 0.000 0.746 372 K HN 0.681 nan 8.250 nan 0.000 0.444 373 S N 0.141 115.848 115.700 0.013 0.000 2.718 373 S HA 0.188 4.657 4.470 -0.001 0.000 0.300 373 S C 1.201 175.779 174.600 -0.036 0.000 1.117 373 S CA -0.876 57.330 58.200 0.009 0.000 1.002 373 S CB 1.206 64.406 63.200 -0.001 0.000 1.092 373 S HN 0.174 nan 8.310 nan 0.000 0.542 374 L N 1.359 122.579 121.223 -0.006 0.000 2.042 374 L HA -0.073 4.266 4.340 -0.001 0.000 0.210 374 L C 2.798 179.576 176.870 -0.154 0.000 1.076 374 L CA 2.647 57.450 54.840 -0.062 0.000 0.749 374 L CB -2.121 39.946 42.059 0.013 0.000 0.893 374 L HN 1.018 nan 8.230 nan 0.000 0.432 375 A N -0.184 122.642 122.820 0.010 0.000 1.940 375 A HA -0.317 4.002 4.320 -0.001 0.000 0.221 375 A C 2.117 179.713 177.584 0.019 0.000 1.190 375 A CA 2.530 54.693 52.037 0.211 0.000 0.647 375 A CB -0.492 18.653 19.000 0.242 0.000 0.821 375 A HN 0.504 nan 8.150 nan 0.000 0.457 376 M N -0.624 118.883 119.600 -0.154 0.000 2.279 376 M HA -0.061 4.418 4.480 -0.001 0.000 0.264 376 M C 2.276 178.225 176.300 -0.586 0.000 1.062 376 M CA 1.314 56.460 55.300 -0.258 0.000 1.099 376 M CB -1.852 30.638 32.600 -0.184 0.000 1.394 376 M HN 0.508 nan 8.290 nan 0.000 0.426 377 A N 0.037 122.321 122.820 -0.894 0.000 1.861 377 A HA 0.061 4.380 4.320 -0.001 0.000 0.212 377 A C 2.323 179.601 177.584 -0.510 0.000 1.199 377 A CA 0.588 51.914 52.037 -1.185 0.000 0.613 377 A CB -0.755 17.628 19.000 -1.029 0.000 0.846 377 A HN 0.397 nan 8.150 nan 0.000 0.446 378 L N -0.315 120.636 121.223 -0.454 0.000 2.079 378 L HA -0.287 4.053 4.340 -0.001 0.000 0.210 378 L C 2.877 179.585 176.870 -0.269 0.000 1.081 378 L CA 1.864 56.406 54.840 -0.496 0.000 0.752 378 L CB -0.528 40.848 42.059 -1.139 0.000 0.896 378 L HN 0.623 nan 8.230 nan 0.000 0.433 379 Q N -0.059 119.697 119.800 -0.073 0.000 2.224 379 Q HA -0.315 4.024 4.340 -0.001 0.000 0.213 379 Q C 2.392 178.393 176.000 0.002 0.000 0.998 379 Q CA 1.912 57.774 55.803 0.099 0.000 0.895 379 Q CB -0.082 28.689 28.738 0.055 0.000 0.926 379 Q HN 0.326 nan 8.270 nan 0.000 0.417 380 R N -0.109 120.350 120.500 -0.069 0.000 2.057 380 R HA -0.076 4.263 4.340 -0.001 0.000 0.229 380 R C 2.100 178.377 176.300 -0.038 0.000 1.136 380 R CA 1.405 57.481 56.100 -0.041 0.000 0.952 380 R CB -1.097 29.186 30.300 -0.029 0.000 0.848 380 R HN 0.401 nan 8.270 nan 0.000 0.430 381 C N 0.865 120.124 119.300 -0.067 0.000 2.443 381 C HA 0.015 4.474 4.460 -0.001 0.000 0.290 381 C C 2.493 177.455 174.990 -0.047 0.000 1.476 381 C CA 0.283 59.266 59.018 -0.058 0.000 1.772 381 C CB -1.023 26.669 27.740 -0.078 0.000 1.714 381 C HN 0.297 nan 8.230 nan 0.000 0.562 382 V N 1.033 120.930 119.914 -0.028 0.000 2.374 382 V HA -0.099 4.021 4.120 -0.001 0.000 0.241 382 V C 2.387 178.479 176.094 -0.003 0.000 1.034 382 V CA 1.947 64.250 62.300 0.006 0.000 1.037 382 V CB -0.560 31.308 31.823 0.075 0.000 0.682 382 V HN 0.642 nan 8.190 nan 0.000 0.463 383 E N 1.470 121.668 120.200 -0.003 0.000 2.472 383 E HA -0.138 4.211 4.350 -0.001 0.000 0.200 383 E C 1.755 178.343 176.600 -0.019 0.000 1.046 383 E CA 1.473 57.867 56.400 -0.011 0.000 0.871 383 E CB -0.333 29.362 29.700 -0.008 0.000 0.806 383 E HN 0.593 nan 8.360 nan 0.000 0.533 384 V N -0.404 119.497 119.914 -0.022 0.000 2.788 384 V HA 0.040 4.160 4.120 -0.001 0.000 0.251 384 V C 1.491 177.565 176.094 -0.033 0.000 1.068 384 V CA 0.219 62.502 62.300 -0.028 0.000 1.090 384 V CB -0.836 30.968 31.823 -0.030 0.000 0.710 384 V HN 0.120 nan 8.190 nan 0.000 0.467 385 L N 1.460 122.663 121.223 -0.034 0.000 2.479 385 L HA 0.176 4.515 4.340 -0.001 0.000 0.270 385 L C 0.803 177.650 176.870 -0.038 0.000 1.236 385 L CA 0.136 54.953 54.840 -0.039 0.000 0.823 385 L CB -0.149 41.887 42.059 -0.039 0.000 1.098 385 L HN 0.210 nan 8.230 nan 0.000 0.500 386 S N 0.188 115.864 115.700 -0.041 0.000 2.562 386 S HA -0.019 4.450 4.470 -0.001 0.000 0.281 386 S C 0.577 175.154 174.600 -0.039 0.000 1.333 386 S CA -0.670 57.507 58.200 -0.038 0.000 1.052 386 S CB 0.908 64.084 63.200 -0.039 0.000 0.884 386 S HN 0.541 nan 8.310 nan 0.000 0.506 387 D N 1.906 122.285 120.400 -0.036 0.000 2.280 387 D HA -0.173 4.467 4.640 -0.001 0.000 0.206 387 D C 1.868 178.143 176.300 -0.042 0.000 0.988 387 D CA 1.524 55.500 54.000 -0.039 0.000 0.886 387 D CB -0.023 40.756 40.800 -0.036 0.000 0.914 387 D HN 0.863 nan 8.370 nan 0.000 0.473 388 E N 0.065 120.242 120.200 -0.037 0.000 2.102 388 E HA -0.078 4.271 4.350 -0.001 0.000 0.190 388 E C 1.144 177.721 176.600 -0.038 0.000 0.971 388 E CA 0.669 57.048 56.400 -0.034 0.000 0.821 388 E CB -0.256 29.427 29.700 -0.028 0.000 0.777 388 E HN 0.035 nan 8.360 nan 0.000 0.460 389 D N 0.948 121.321 120.400 -0.044 0.000 2.178 389 D HA -0.103 4.536 4.640 -0.001 0.000 0.202 389 D C 1.946 178.216 176.300 -0.051 0.000 0.974 389 D CA 0.897 54.865 54.000 -0.053 0.000 0.841 389 D CB -0.072 40.693 40.800 -0.058 0.000 0.953 389 D HN 0.094 nan 8.370 nan 0.000 0.478 390 R N 0.285 120.755 120.500 -0.049 0.000 2.081 390 R HA -0.131 4.209 4.340 -0.001 0.000 0.235 390 R C 2.180 178.439 176.300 -0.068 0.000 1.131 390 R CA 1.465 57.535 56.100 -0.050 0.000 0.960 390 R CB -0.182 30.088 30.300 -0.050 0.000 0.856 390 R HN 0.136 nan 8.270 nan 0.000 0.436 391 S N 0.016 115.670 115.700 -0.076 0.000 2.344 391 S HA -0.132 4.337 4.470 -0.001 0.000 0.217 391 S C 2.082 176.642 174.600 -0.066 0.000 1.033 391 S CA 1.315 59.446 58.200 -0.115 0.000 1.017 391 S CB -0.392 62.755 63.200 -0.088 0.000 0.941 391 S HN 0.471 nan 8.310 nan 0.000 0.430 392 A N 1.807 124.630 122.820 0.005 0.000 2.084 392 A HA -0.024 4.295 4.320 -0.001 0.000 0.221 392 A C 2.208 179.818 177.584 0.043 0.000 1.161 392 A CA 1.566 53.638 52.037 0.058 0.000 0.653 392 A CB -0.805 18.191 19.000 -0.008 0.000 0.802 392 A HN 0.582 nan 8.150 nan 0.000 0.457 393 L N -0.610 120.611 121.223 -0.003 0.000 2.022 393 L HA 0.062 4.401 4.340 -0.001 0.000 0.204 393 L C 2.570 179.463 176.870 0.038 0.000 1.076 393 L CA 2.377 57.216 54.840 -0.001 0.000 0.749 393 L CB -1.504 40.545 42.059 -0.016 0.000 0.903 393 L HN 0.361 nan 8.230 nan 0.000 0.439 394 A N -1.540 121.275 122.820 -0.009 0.000 2.216 394 A HA -0.150 4.169 4.320 -0.001 0.000 0.214 394 A C 2.094 179.702 177.584 0.039 0.000 1.160 394 A CA 0.667 52.687 52.037 -0.028 0.000 0.725 394 A CB -0.785 18.150 19.000 -0.108 0.000 0.784 394 A HN 0.528 nan 8.150 nan 0.000 0.472 395 F N -0.638 119.308 119.950 -0.006 0.000 2.416 395 F HA 0.055 4.581 4.527 -0.001 0.000 0.296 395 F C 2.280 178.110 175.800 0.050 0.000 1.099 395 F CA 0.364 58.370 58.000 0.011 0.000 1.427 395 F CB 0.243 39.253 39.000 0.017 0.000 1.079 395 F HN 0.294 nan 8.300 nan 0.000 0.536 396 A N 0.010 122.995 122.820 0.275 0.000 2.310 396 A HA 0.155 4.474 4.320 -0.001 0.000 0.230 396 A C 1.656 179.371 177.584 0.219 0.000 1.294 396 A CA 0.185 52.388 52.037 0.276 0.000 0.898 396 A CB -1.027 18.136 19.000 0.271 0.000 0.917 396 A HN 0.166 nan 8.150 nan 0.000 0.491 397 V N 0.412 120.403 119.914 0.128 0.000 2.216 397 V HA -0.206 3.913 4.120 -0.001 0.000 0.242 397 V C 1.664 177.844 176.094 0.142 0.000 1.042 397 V CA 1.573 63.879 62.300 0.011 0.000 0.991 397 V CB -1.518 30.261 31.823 -0.072 0.000 0.633 397 V HN 0.671 nan 8.190 nan 0.000 0.449 398 V N 0.090 120.055 119.914 0.085 0.000 2.726 398 V HA 0.108 4.227 4.120 -0.001 0.000 0.251 398 V C -0.170 175.982 176.094 0.096 0.000 0.966 398 V CA 0.567 62.873 62.300 0.010 0.000 1.185 398 V CB -1.581 30.209 31.823 -0.056 0.000 1.006 398 V HN 0.477 nan 8.190 nan 0.000 0.473 399 M N 5.455 125.167 119.600 0.185 0.000 2.880 399 M HA 0.669 5.148 4.480 -0.001 0.000 0.269 399 M C -3.104 173.271 176.300 0.125 0.000 1.248 399 M CA -2.105 53.290 55.300 0.159 0.000 0.821 399 M CB 2.753 35.442 32.600 0.148 0.000 1.650 399 M HN 0.278 nan 8.290 nan 0.000 0.479 400 P HA 0.454 nan 4.420 nan 0.000 0.295 400 P C -2.901 174.208 177.300 -0.319 0.000 1.354 400 P CA -1.419 61.419 63.100 -0.437 0.000 0.814 400 P CB 0.251 31.370 31.700 -0.967 0.000 0.935 401 P HA 0.184 nan 4.420 nan 0.000 0.278 401 P C 0.883 177.992 177.300 -0.318 0.000 1.238 401 P CA 0.511 63.371 63.100 -0.400 0.000 0.794 401 P CB 0.423 31.584 31.700 -0.897 0.000 0.955 402 G N 0.821 109.522 108.800 -0.165 0.000 2.273 402 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.280 402 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.280 402 G C -0.227 174.669 174.900 -0.007 0.000 1.047 402 G CA -0.003 45.095 45.100 -0.004 0.000 0.869 402 G HN 0.489 nan 8.290 nan 0.000 0.502 403 V N -0.493 119.369 119.914 -0.086 0.000 2.709 403 V HA 0.516 4.635 4.120 -0.001 0.000 0.308 403 V C -0.680 175.377 176.094 -0.062 0.000 1.062 403 V CA -1.128 61.099 62.300 -0.122 0.000 0.901 403 V CB 2.160 33.751 31.823 -0.385 0.000 1.003 403 V HN 0.209 nan 8.190 nan 0.000 0.425 404 D N 3.895 124.292 120.400 -0.004 0.000 2.280 404 D HA 0.591 5.230 4.640 -0.001 0.000 0.243 404 D C -0.526 175.787 176.300 0.021 0.000 1.129 404 D CA 0.122 54.157 54.000 0.060 0.000 0.848 404 D CB 1.345 42.188 40.800 0.072 0.000 1.107 404 D HN 0.650 nan 8.370 nan 0.000 0.471 405 I N 0.881 121.484 120.570 0.055 0.000 2.769 405 I HA 0.606 4.775 4.170 -0.001 0.000 0.298 405 I C -2.945 173.260 176.117 0.146 0.000 1.128 405 I CA -2.665 58.591 61.300 -0.074 0.000 1.031 405 I CB 2.896 40.600 38.000 -0.493 0.000 1.235 405 I HN 0.038 nan 8.210 nan 0.000 0.423 406 P HA 0.111 nan 4.420 nan 0.000 0.271 406 P C 0.741 178.251 177.300 0.351 0.000 1.233 406 P CA -0.333 62.879 63.100 0.188 0.000 0.789 406 P CB 0.952 32.701 31.700 0.081 0.000 0.951 407 V N 1.372 121.491 119.914 0.340 0.000 2.323 407 V HA -0.214 3.905 4.120 -0.001 0.000 0.244 407 V C 2.124 178.379 176.094 0.269 0.000 1.041 407 V CA 1.904 64.431 62.300 0.380 0.000 1.025 407 V CB -0.932 31.049 31.823 0.263 0.000 0.656 407 V HN 0.512 nan 8.190 nan 0.000 0.451 408 K N 0.050 120.545 120.400 0.158 0.000 2.063 408 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 408 K C 1.932 178.584 176.600 0.086 0.000 1.048 408 K CA 1.042 57.387 56.287 0.097 0.000 0.928 408 K CB -0.733 31.797 32.500 0.050 0.000 0.713 408 K HN 0.161 nan 8.250 nan 0.000 0.442 409 L N -0.427 120.836 121.223 0.068 0.000 2.349 409 L HA -0.214 4.126 4.340 -0.001 0.000 0.220 409 L C 1.519 178.358 176.870 -0.051 0.000 1.130 409 L CA 1.547 56.370 54.840 -0.028 0.000 0.791 409 L CB -0.532 41.464 42.059 -0.105 0.000 0.918 409 L HN 0.442 nan 8.230 nan 0.000 0.444 410 W N -0.659 120.639 121.300 -0.004 0.000 2.640 410 W HA 0.016 4.675 4.660 -0.001 0.000 0.271 410 W C 2.480 178.973 176.519 -0.044 0.000 1.218 410 W CA 0.536 57.865 57.345 -0.026 0.000 1.382 410 W CB -0.378 29.058 29.460 -0.039 0.000 1.067 410 W HN 0.111 nan 8.180 nan 0.000 0.590 411 S N 0.311 116.129 115.700 0.198 0.000 2.441 411 S HA -0.226 4.243 4.470 -0.001 0.000 0.242 411 S C 1.654 176.279 174.600 0.043 0.000 1.018 411 S CA 1.565 59.823 58.200 0.095 0.000 0.988 411 S CB -0.644 62.596 63.200 0.068 0.000 0.778 411 S HN 0.215 nan 8.310 nan 0.000 0.498 412 C N 0.650 119.965 119.300 0.026 0.000 2.466 412 C HA 0.038 4.497 4.460 -0.001 0.000 0.278 412 C C 2.655 177.598 174.990 -0.078 0.000 1.288 412 C CA 0.579 59.583 59.018 -0.024 0.000 1.722 412 C CB -1.438 26.284 27.740 -0.031 0.000 2.017 412 C HN 0.647 nan 8.230 nan 0.000 0.488 413 V N -1.979 117.876 119.914 -0.099 0.000 3.608 413 V HA 0.338 4.457 4.120 -0.001 0.000 0.269 413 V C 0.518 176.379 176.094 -0.388 0.000 1.245 413 V CA 0.486 62.614 62.300 -0.285 0.000 1.138 413 V CB -0.699 30.966 31.823 -0.264 0.000 0.841 413 V HN 0.288 nan 8.190 nan 0.000 0.451 414 I N 1.885 122.393 120.570 -0.104 0.000 2.499 414 I HA 0.595 4.764 4.170 -0.001 0.000 0.296 414 I C -1.980 174.174 176.117 0.060 0.000 0.992 414 I CA -2.442 58.875 61.300 0.029 0.000 1.297 414 I CB 1.092 39.127 38.000 0.059 0.000 1.410 414 I HN 0.147 nan 8.210 nan 0.000 0.507 415 P HA 0.543 nan 4.420 nan 0.000 0.274 415 P C -0.994 176.341 177.300 0.059 0.000 1.246 415 P CA -0.222 62.953 63.100 0.125 0.000 0.795 415 P CB 0.886 32.677 31.700 0.152 0.000 1.006 425 Q N 0.014 119.816 119.800 0.003 0.000 1.638 425 Q HA 0.376 4.716 4.340 -0.001 0.000 0.156 425 Q C -0.725 175.278 176.000 0.005 0.000 0.781 425 Q CA 0.043 55.847 55.803 0.003 0.000 0.770 425 Q CB -0.333 28.406 28.738 0.002 0.000 1.217 425 Q HN 0.198 nan 8.270 nan 0.000 0.362 426 L N 1.964 123.191 121.223 0.006 0.000 2.275 426 L HA 0.472 4.811 4.340 -0.001 0.000 0.288 426 L C -0.340 176.537 176.870 0.012 0.000 1.046 426 L CA -0.524 54.322 54.840 0.009 0.000 0.805 426 L CB 1.150 43.213 42.059 0.008 0.000 1.193 426 L HN 0.145 nan 8.230 nan 0.000 0.426 427 D N 2.790 123.201 120.400 0.017 0.000 2.994 427 D HA 0.028 4.667 4.640 -0.001 0.000 0.240 427 D C 0.335 176.652 176.300 0.028 0.000 1.195 427 D CA 0.184 54.197 54.000 0.023 0.000 0.957 427 D CB 0.338 41.158 40.800 0.032 0.000 1.105 427 D HN 0.495 nan 8.370 nan 0.000 0.477 428 D N -0.242 120.170 120.400 0.020 0.000 2.355 428 D HA -0.098 4.541 4.640 -0.001 0.000 0.206 428 D C 1.644 177.951 176.300 0.012 0.000 1.010 428 D CA 0.146 54.159 54.000 0.021 0.000 0.875 428 D CB 0.507 41.317 40.800 0.016 0.000 0.966 428 D HN 0.231 nan 8.370 nan 0.000 0.512 429 E N 1.458 121.660 120.200 0.003 0.000 2.158 429 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 429 E C 2.004 178.588 176.600 -0.027 0.000 0.982 429 E CA 0.413 56.807 56.400 -0.010 0.000 0.823 429 E CB 0.028 29.723 29.700 -0.009 0.000 0.766 429 E HN -0.079 nan 8.360 nan 0.000 0.468 430 V N 1.041 120.941 119.914 -0.023 0.000 2.295 430 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 430 V C 2.419 178.449 176.094 -0.107 0.000 1.049 430 V CA 1.809 64.073 62.300 -0.060 0.000 1.024 430 V CB -1.071 30.740 31.823 -0.020 0.000 0.648 430 V HN 0.474 nan 8.190 nan 0.000 0.447 431 A N 0.155 122.959 122.820 -0.025 0.000 1.958 431 A HA -0.329 3.991 4.320 -0.001 0.000 0.221 431 A C 1.960 179.547 177.584 0.006 0.000 1.178 431 A CA 2.396 54.456 52.037 0.037 0.000 0.642 431 A CB -0.675 18.384 19.000 0.098 0.000 0.816 431 A HN 0.617 nan 8.150 nan 0.000 0.453 432 D N -0.891 119.495 120.400 -0.023 0.000 2.103 432 D HA -0.089 4.550 4.640 -0.001 0.000 0.199 432 D C 2.236 178.495 176.300 -0.068 0.000 0.978 432 D CA 1.145 55.129 54.000 -0.026 0.000 0.829 432 D CB -0.381 40.404 40.800 -0.024 0.000 0.981 432 D HN 0.471 nan 8.370 nan 0.000 0.464 433 R N 0.379 120.815 120.500 -0.108 0.000 2.070 433 R HA -0.032 4.307 4.340 -0.001 0.000 0.233 433 R C 2.661 178.830 176.300 -0.218 0.000 1.137 433 R CA 0.588 56.604 56.100 -0.139 0.000 0.945 433 R CB -0.575 29.644 30.300 -0.134 0.000 0.845 433 R HN 0.146 nan 8.270 nan 0.000 0.430 434 L N 0.928 121.917 121.223 -0.390 0.000 2.064 434 L HA -0.303 4.036 4.340 -0.001 0.000 0.216 434 L C 2.564 179.224 176.870 -0.349 0.000 1.077 434 L CA 1.457 55.867 54.840 -0.716 0.000 0.766 434 L CB -0.349 40.729 42.059 -1.635 0.000 0.890 434 L HN 0.146 nan 8.230 nan 0.000 0.435 435 K N -0.353 120.022 120.400 -0.042 0.000 2.031 435 K HA -0.150 4.169 4.320 -0.001 0.000 0.205 435 K C 2.126 178.722 176.600 -0.007 0.000 1.049 435 K CA 1.081 57.440 56.287 0.119 0.000 0.939 435 K CB -0.330 32.245 32.500 0.125 0.000 0.717 435 K HN 0.196 nan 8.250 nan 0.000 0.438 436 R N 0.895 121.363 120.500 -0.053 0.000 2.154 436 R HA -0.125 4.214 4.340 -0.001 0.000 0.248 436 R C 2.300 178.552 176.300 -0.079 0.000 1.155 436 R CA 1.095 57.152 56.100 -0.071 0.000 0.979 436 R CB -0.159 30.095 30.300 -0.076 0.000 0.869 436 R HN 0.107 nan 8.270 nan 0.000 0.452 437 L N -0.371 120.794 121.223 -0.096 0.000 1.993 437 L HA -0.072 4.267 4.340 -0.001 0.000 0.206 437 L C 1.411 178.247 176.870 -0.056 0.000 1.074 437 L CA 1.147 55.931 54.840 -0.092 0.000 0.746 437 L CB -0.493 41.480 42.059 -0.143 0.000 0.896 437 L HN 0.161 nan 8.230 nan 0.000 0.435 438 S N -0.089 115.597 115.700 -0.022 0.000 3.844 438 S HA 0.079 4.548 4.470 -0.001 0.000 0.193 438 S C 0.461 175.053 174.600 -0.014 0.000 1.255 438 S CA 0.135 58.346 58.200 0.018 0.000 1.028 438 S CB 0.224 63.483 63.200 0.097 0.000 1.436 438 S HN 0.300 nan 8.310 nan 0.000 0.442 439 K N 1.045 121.413 120.400 -0.052 0.000 2.954 439 K HA 0.168 4.487 4.320 -0.001 0.000 0.181 439 K C 0.281 176.815 176.600 -0.110 0.000 2.022 439 K CA -0.085 56.139 56.287 -0.105 0.000 1.440 439 K CB 0.052 32.484 32.500 -0.113 0.000 2.298 439 K HN 0.212 nan 8.250 nan 0.000 0.597 440 R N 0.738 121.186 120.500 -0.087 0.000 4.609 440 R HA 0.296 4.635 4.340 -0.001 0.000 0.235 440 R C -0.137 176.128 176.300 -0.058 0.000 1.836 440 R CA 0.735 56.787 56.100 -0.079 0.000 1.564 440 R CB 0.158 30.413 30.300 -0.075 0.000 1.382 440 R HN 0.552 nan 8.270 nan 0.000 0.776 441 G N -0.368 108.405 108.800 -0.045 0.000 2.227 441 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.168 441 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.168 441 G C 0.051 174.941 174.900 -0.017 0.000 1.006 441 G CA -0.393 44.688 45.100 -0.030 0.000 0.684 441 G HN 0.601 nan 8.290 nan 0.000 0.489 442 A N -1.225 121.588 122.820 -0.012 0.000 1.507 442 A HA 0.039 4.358 4.320 -0.001 0.000 0.191 442 A C 0.836 178.428 177.584 0.012 0.000 1.258 442 A CA 1.579 53.623 52.037 0.011 0.000 0.630 442 A CB -1.341 17.683 19.000 0.040 0.000 1.129 442 A HN 1.437 nan 8.150 nan 0.000 0.175 443 L N 0.772 122.004 121.223 0.015 0.000 3.174 443 L HA 0.354 4.693 4.340 -0.001 0.000 0.283 443 L C 0.983 177.882 176.870 0.048 0.000 1.187 443 L CA 0.232 55.083 54.840 0.018 0.000 1.018 443 L CB 0.105 42.158 42.059 -0.010 0.000 1.433 443 L HN 0.658 nan 8.230 nan 0.000 0.593 444 L N -2.579 118.684 121.223 0.066 0.000 3.829 444 L HA 0.509 4.848 4.340 -0.001 0.000 0.208 444 L C -0.030 176.925 176.870 0.143 0.000 1.242 444 L CA -0.294 54.613 54.840 0.112 0.000 1.266 444 L CB 0.117 42.225 42.059 0.082 0.000 1.786 444 L HN -0.113 nan 8.230 nan 0.000 0.713 445 S N -0.696 115.114 115.700 0.184 0.000 2.574 445 S HA 0.490 4.959 4.470 -0.001 0.000 0.331 445 S C -0.803 173.777 174.600 -0.034 0.000 0.901 445 S CA -0.214 58.046 58.200 0.101 0.000 0.834 445 S CB 0.358 63.626 63.200 0.113 0.000 1.102 445 S HN 0.695 nan 8.310 nan 0.000 0.473 446 G N 3.706 112.455 108.800 -0.085 0.000 2.977 446 G HA2 0.422 4.381 3.960 -0.001 0.000 0.306 446 G HA3 0.422 4.381 3.960 -0.001 0.000 0.306 446 G C -0.269 174.506 174.900 -0.207 0.000 0.885 446 G CA -0.453 44.511 45.100 -0.226 0.000 1.649 446 G HN 0.672 nan 8.290 nan 0.000 0.514 447 K N 1.722 121.949 120.400 -0.288 0.000 2.263 447 K HA 0.453 4.772 4.320 -0.001 0.000 0.272 447 K C 1.047 177.538 176.600 -0.181 0.000 1.033 447 K CA -0.830 55.356 56.287 -0.168 0.000 0.884 447 K CB 1.179 33.620 32.500 -0.097 0.000 1.107 447 K HN 0.209 nan 8.250 nan 0.000 0.460 448 R N 3.733 124.166 120.500 -0.113 0.000 2.046 448 R HA 0.172 4.511 4.340 -0.001 0.000 0.223 448 R C 0.661 176.930 176.300 -0.053 0.000 1.179 448 R CA 1.704 57.751 56.100 -0.088 0.000 0.952 448 R CB -0.115 30.150 30.300 -0.058 0.000 0.843 448 R HN 0.854 nan 8.270 nan 0.000 0.439 449 M N -0.138 119.444 119.600 -0.030 0.000 2.654 449 M HA 0.468 4.948 4.480 -0.001 0.000 0.310 449 M C -1.764 174.533 176.300 -0.005 0.000 1.211 449 M CA -1.815 53.478 55.300 -0.013 0.000 0.947 449 M CB 1.602 34.200 32.600 -0.004 0.000 1.647 449 M HN -0.108 nan 8.290 nan 0.000 0.481 450 P HA -0.092 nan 4.420 nan 0.000 0.216 450 P C 0.030 177.333 177.300 0.005 0.000 1.153 450 P CA 1.379 64.484 63.100 0.009 0.000 0.858 450 P CB -0.383 31.327 31.700 0.018 0.000 0.789 451 V N -3.610 116.307 119.914 0.005 0.000 2.808 451 V HA 0.354 4.473 4.120 -0.001 0.000 0.308 451 V C 0.257 176.351 176.094 -0.000 0.000 1.099 451 V CA -1.806 60.499 62.300 0.007 0.000 0.920 451 V CB 1.350 33.185 31.823 0.020 0.000 1.014 451 V HN 0.002 nan 8.190 nan 0.000 0.425 452 L N 1.864 123.082 121.223 -0.009 0.000 3.272 452 L HA 0.331 4.670 4.340 -0.001 0.000 0.312 452 L C 0.610 177.477 176.870 -0.006 0.000 1.180 452 L CA 0.878 55.694 54.840 -0.040 0.000 1.192 452 L CB -2.016 40.042 42.059 -0.002 0.000 1.558 452 L HN 0.928 nan 8.230 nan 0.000 0.409 453 T N -1.530 112.986 114.554 -0.062 0.000 2.908 453 T HA 0.773 5.122 4.350 -0.001 0.000 0.290 453 T C -0.261 174.396 174.700 -0.073 0.000 1.034 453 T CA -0.669 61.491 62.100 0.100 0.000 1.010 453 T CB 1.880 70.834 68.868 0.142 0.000 1.068 453 T HN 0.226 nan 8.240 nan 0.000 0.481 454 F N 0.316 120.453 119.950 0.311 0.000 2.611 454 F HA 0.836 5.362 4.527 -0.001 0.000 0.374 454 F C 0.569 176.627 175.800 0.432 0.000 1.110 454 F CA -1.128 56.962 58.000 0.150 0.000 1.090 454 F CB 1.694 40.448 39.000 -0.410 0.000 1.388 454 F HN 0.707 nan 8.300 nan 0.000 0.501 455 K N 0.151 120.870 120.400 0.533 0.000 2.499 455 K HA 0.710 5.029 4.320 -0.001 0.000 0.277 455 K C -2.075 174.739 176.600 0.356 0.000 1.025 455 K CA -0.774 55.760 56.287 0.413 0.000 0.900 455 K CB 2.951 35.579 32.500 0.213 0.000 1.494 455 K HN 0.678 nan 8.250 nan 0.000 0.442 456 I N 2.452 123.168 120.570 0.243 0.000 2.571 456 I HA 0.258 4.427 4.170 -0.001 0.000 0.286 456 I C -1.447 174.720 176.117 0.083 0.000 1.134 456 I CA -0.585 60.828 61.300 0.188 0.000 1.052 456 I CB 1.573 39.728 38.000 0.259 0.000 1.237 456 I HN 0.675 nan 8.210 nan 0.000 0.435 457 D N 4.941 125.397 120.400 0.093 0.000 2.384 457 D HA 0.156 4.796 4.640 -0.001 0.000 0.244 457 D C 0.620 176.956 176.300 0.061 0.000 1.251 457 D CA 0.053 54.095 54.000 0.070 0.000 0.961 457 D CB 0.600 41.472 40.800 0.120 0.000 1.116 457 D HN 0.536 nan 8.370 nan 0.000 0.484 458 H N -0.768 118.385 119.070 0.139 0.000 2.403 458 H HA 0.041 4.596 4.556 -0.001 0.000 0.298 458 H C 1.785 177.234 175.328 0.201 0.000 1.059 458 H CA 0.894 57.032 56.048 0.151 0.000 1.363 458 H CB -0.057 29.767 29.762 0.105 0.000 1.410 458 H HN 0.355 nan 8.280 nan 0.000 0.528 459 I N -0.001 120.735 120.570 0.277 0.000 2.163 459 I HA -0.213 3.956 4.170 -0.001 0.000 0.243 459 I C 1.852 178.093 176.117 0.207 0.000 1.085 459 I CA 1.123 62.546 61.300 0.205 0.000 1.347 459 I CB -0.263 37.823 38.000 0.143 0.000 1.044 459 I HN 0.204 nan 8.210 nan 0.000 0.408 460 I N 1.132 121.811 120.570 0.181 0.000 3.535 460 I HA -0.148 4.022 4.170 -0.001 0.000 0.307 460 I C 1.271 177.539 176.117 0.251 0.000 1.200 460 I CA 1.181 62.577 61.300 0.159 0.000 1.193 460 I CB -0.956 37.110 38.000 0.110 0.000 1.003 460 I HN 0.501 nan 8.210 nan 0.000 0.505 461 H N 0.242 119.428 119.070 0.195 0.000 1.785 461 H HA 0.112 4.667 4.556 -0.001 0.000 0.156 461 H C 1.633 177.096 175.328 0.224 0.000 1.015 461 H CA 0.100 56.262 56.048 0.189 0.000 1.056 461 H CB 0.237 30.083 29.762 0.140 0.000 0.903 461 H HN 0.209 nan 8.280 nan 0.000 0.313 462 M N 1.036 120.897 119.600 0.435 0.000 2.706 462 M HA -0.062 4.418 4.480 -0.001 0.000 0.253 462 M C 1.683 178.143 176.300 0.267 0.000 1.063 462 M CA 0.968 56.486 55.300 0.363 0.000 1.067 462 M CB -0.259 32.510 32.600 0.282 0.000 1.423 462 M HN 0.166 nan 8.290 nan 0.000 0.530 463 F N 0.701 120.703 119.950 0.087 0.000 2.074 463 F HA -0.062 4.464 4.527 -0.001 0.000 0.290 463 F C 1.650 177.463 175.800 0.022 0.000 1.118 463 F CA 1.419 59.437 58.000 0.031 0.000 1.199 463 F CB -0.442 38.564 39.000 0.010 0.000 1.012 463 F HN -0.080 nan 8.300 nan 0.000 0.472 464 L N 0.786 121.995 121.223 -0.025 0.000 1.963 464 L HA -0.338 4.001 4.340 -0.001 0.000 0.220 464 L C 2.550 179.296 176.870 -0.206 0.000 1.076 464 L CA 2.195 56.926 54.840 -0.181 0.000 0.772 464 L CB -1.093 40.891 42.059 -0.125 0.000 0.892 464 L HN 0.174 nan 8.230 nan 0.000 0.435 465 K N -0.192 120.102 120.400 -0.177 0.000 1.984 465 K HA -0.291 4.028 4.320 -0.001 0.000 0.232 465 K C 1.063 177.575 176.600 -0.146 0.000 1.016 465 K CA 2.398 58.618 56.287 -0.112 0.000 1.010 465 K CB -0.383 32.175 32.500 0.096 0.000 0.739 465 K HN 0.407 nan 8.250 nan 0.000 0.450 466 H N -0.848 118.141 119.070 -0.134 0.000 3.001 466 H HA 0.184 4.739 4.556 -0.001 0.000 0.248 466 H C 0.337 175.528 175.328 -0.228 0.000 1.663 466 H CA 0.024 55.987 56.048 -0.142 0.000 1.258 466 H CB 0.464 30.167 29.762 -0.098 0.000 1.547 466 H HN 0.031 nan 8.280 nan 0.000 0.557 467 V N -0.836 118.968 119.914 -0.184 0.000 3.079 467 V HA -0.011 4.108 4.120 -0.001 0.000 0.232 467 V C 0.318 176.287 176.094 -0.209 0.000 1.594 467 V CA 0.308 62.441 62.300 -0.278 0.000 1.153 467 V CB 0.696 32.176 31.823 -0.573 0.000 1.049 467 V HN 0.363 nan 8.190 nan 0.000 0.448 468 V N 0.245 120.048 119.914 -0.184 0.000 2.649 468 V HA 0.522 4.641 4.120 -0.001 0.000 0.292 468 V C -0.292 175.733 176.094 -0.114 0.000 1.055 468 V CA -0.676 61.539 62.300 -0.142 0.000 1.023 468 V CB 0.739 32.486 31.823 -0.126 0.000 0.992 468 V HN 0.438 nan 8.190 nan 0.000 0.480 469 D N 3.507 123.846 120.400 -0.101 0.000 2.531 469 D HA 0.307 4.946 4.640 -0.001 0.000 0.239 469 D C 1.327 177.587 176.300 -0.068 0.000 1.144 469 D CA 0.960 54.912 54.000 -0.080 0.000 0.869 469 D CB 1.194 41.949 40.800 -0.074 0.000 1.160 469 D HN 0.917 nan 8.370 nan 0.000 0.484 470 A N 3.282 126.064 122.820 -0.063 0.000 1.915 470 A HA -0.367 3.952 4.320 -0.001 0.000 0.220 470 A C 1.950 179.510 177.584 -0.040 0.000 1.198 470 A CA 1.947 53.950 52.037 -0.057 0.000 0.647 470 A CB -0.621 18.349 19.000 -0.051 0.000 0.825 470 A HN 0.764 nan 8.150 nan 0.000 0.456 471 Q N -1.098 118.684 119.800 -0.030 0.000 2.167 471 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 471 Q C 1.730 177.733 176.000 0.006 0.000 0.970 471 Q CA 1.777 57.572 55.803 -0.013 0.000 0.855 471 Q CB -0.279 28.452 28.738 -0.011 0.000 0.911 471 Q HN 0.651 nan 8.270 nan 0.000 0.438 472 T N 0.665 115.217 114.554 -0.004 0.000 3.025 472 T HA -0.081 4.268 4.350 -0.001 0.000 0.270 472 T C 1.462 176.215 174.700 0.089 0.000 1.126 472 T CA 0.857 62.976 62.100 0.032 0.000 1.105 472 T CB -0.030 68.807 68.868 -0.052 0.000 0.884 472 T HN 0.225 nan 8.240 nan 0.000 0.522 473 I N 1.191 121.777 120.570 0.027 0.000 2.512 473 I HA 0.161 4.330 4.170 -0.001 0.000 0.247 473 I C 2.731 178.849 176.117 0.001 0.000 1.094 473 I CA 0.639 61.948 61.300 0.014 0.000 1.427 473 I CB -0.650 37.329 38.000 -0.035 0.000 1.149 473 I HN 0.094 nan 8.210 nan 0.000 0.438 474 A N 0.637 123.453 122.820 -0.007 0.000 2.032 474 A HA -0.266 4.053 4.320 -0.001 0.000 0.221 474 A C 2.026 179.615 177.584 0.009 0.000 1.165 474 A CA 2.364 54.396 52.037 -0.008 0.000 0.645 474 A CB -1.163 17.832 19.000 -0.008 0.000 0.807 474 A HN 0.596 nan 8.150 nan 0.000 0.453 475 N N -0.965 117.760 118.700 0.041 0.000 2.290 475 N HA -0.022 4.718 4.740 -0.001 0.000 0.179 475 N C 1.837 177.373 175.510 0.043 0.000 1.016 475 N CA 0.577 53.666 53.050 0.065 0.000 0.871 475 N CB -0.200 38.362 38.487 0.124 0.000 0.987 475 N HN 0.488 nan 8.380 nan 0.000 0.431 476 G N 1.196 110.030 108.800 0.057 0.000 2.421 476 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.217 476 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.217 476 G C 1.465 176.308 174.900 -0.096 0.000 1.143 476 G CA 0.248 45.291 45.100 -0.095 0.000 0.784 476 G HN 0.158 nan 8.290 nan 0.000 0.541 477 I N 0.873 121.408 120.570 -0.058 0.000 2.286 477 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 477 I C 2.944 179.053 176.117 -0.012 0.000 1.104 477 I CA 0.872 62.140 61.300 -0.054 0.000 1.397 477 I CB -0.198 37.751 38.000 -0.085 0.000 1.072 477 I HN 0.082 nan 8.210 nan 0.000 0.417 478 S N 1.118 116.811 115.700 -0.013 0.000 2.356 478 S HA -0.098 4.371 4.470 -0.001 0.000 0.223 478 S C 2.014 176.606 174.600 -0.014 0.000 1.032 478 S CA 1.211 59.410 58.200 -0.002 0.000 1.005 478 S CB -0.345 62.856 63.200 0.002 0.000 0.867 478 S HN 0.327 nan 8.310 nan 0.000 0.449 479 I N 1.324 121.870 120.570 -0.041 0.000 2.502 479 I HA -0.206 3.963 4.170 -0.001 0.000 0.258 479 I C 2.218 178.295 176.117 -0.067 0.000 1.172 479 I CA 0.680 61.937 61.300 -0.071 0.000 1.430 479 I CB -0.371 37.539 38.000 -0.149 0.000 1.086 479 I HN 0.240 nan 8.210 nan 0.000 0.440 480 L N 0.987 122.183 121.223 -0.045 0.000 1.993 480 L HA -0.177 4.162 4.340 -0.001 0.000 0.206 480 L C 2.372 179.249 176.870 0.012 0.000 1.074 480 L CA 1.862 56.697 54.840 -0.008 0.000 0.746 480 L CB -0.433 41.661 42.059 0.058 0.000 0.896 480 L HN -0.011 nan 8.230 nan 0.000 0.435 481 E N -0.345 119.875 120.200 0.033 0.000 2.130 481 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 481 E C 2.153 178.763 176.600 0.017 0.000 0.998 481 E CA 1.382 57.804 56.400 0.037 0.000 0.806 481 E CB -0.179 29.547 29.700 0.044 0.000 0.738 481 E HN 0.504 nan 8.360 nan 0.000 0.459 482 Q N 0.276 120.079 119.800 0.004 0.000 1.967 482 Q HA -0.221 4.119 4.340 -0.001 0.000 0.210 482 Q C 2.268 178.265 176.000 -0.006 0.000 1.005 482 Q CA 1.720 57.522 55.803 -0.002 0.000 0.862 482 Q CB -0.631 28.101 28.738 -0.010 0.000 0.939 482 Q HN 0.145 nan 8.270 nan 0.000 0.417 483 R N 0.816 121.309 120.500 -0.013 0.000 2.113 483 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 483 R C 1.533 177.824 176.300 -0.015 0.000 1.129 483 R CA 0.394 56.484 56.100 -0.016 0.000 0.915 483 R CB -1.305 28.983 30.300 -0.021 0.000 0.837 483 R HN 0.234 nan 8.270 nan 0.000 0.430 484 L N 1.429 122.644 121.223 -0.013 0.000 8.006 484 L HA -0.221 4.119 4.340 -0.001 0.000 0.330 484 L C -0.806 176.059 176.870 -0.009 0.000 1.798 484 L CA 0.334 55.168 54.840 -0.010 0.000 0.507 484 L CB -0.637 41.429 42.059 0.012 0.000 1.404 484 L HN 0.271 nan 8.230 nan 0.000 0.206 485 L N -2.246 118.962 121.223 -0.024 0.000 2.382 485 L HA 0.474 4.813 4.340 -0.001 0.000 0.313 485 L C 0.130 176.981 176.870 -0.030 0.000 0.638 485 L CA -0.240 54.586 54.840 -0.023 0.000 1.170 485 L CB -0.190 41.867 42.059 -0.004 0.000 1.705 485 L HN 0.098 nan 8.230 nan 0.000 0.334 486 E N -0.750 119.438 120.200 -0.020 0.000 2.636 486 E HA -0.083 4.266 4.350 -0.001 0.000 0.250 486 E C -0.190 176.396 176.600 -0.022 0.000 1.288 486 E CA 0.420 56.808 56.400 -0.020 0.000 1.468 486 E CB -1.201 28.485 29.700 -0.022 0.000 1.997 486 E HN 0.622 nan 8.360 nan 0.000 0.592 522 T N -0.345 114.242 114.554 0.055 0.000 4.678 522 T HA 0.361 4.710 4.350 -0.001 0.000 0.230 522 T C -0.018 174.712 174.700 0.050 0.000 0.757 522 T CA -0.209 61.923 62.100 0.053 0.000 0.966 522 T CB -1.052 67.845 68.868 0.048 0.000 1.424 522 T HN 0.376 nan 8.240 nan 0.000 0.886 523 V N 2.362 122.309 119.914 0.055 0.000 2.737 523 V HA 0.328 4.447 4.120 -0.001 0.000 0.298 523 V C -0.301 175.834 176.094 0.069 0.000 1.163 523 V CA -1.436 60.900 62.300 0.059 0.000 0.925 523 V CB 1.915 33.775 31.823 0.061 0.000 1.037 523 V HN 0.622 nan 8.190 nan 0.000 0.433 524 I N 4.938 125.548 120.570 0.068 0.000 2.752 524 I HA 0.250 4.420 4.170 -0.001 0.000 0.287 524 I C 0.720 176.893 176.117 0.094 0.000 1.188 524 I CA 0.271 61.614 61.300 0.071 0.000 1.427 524 I CB 0.567 38.602 38.000 0.058 0.000 1.365 524 I HN 0.620 nan 8.210 nan 0.000 0.585 525 R N 8.145 128.707 120.500 0.104 0.000 2.288 525 R HA 0.305 4.644 4.340 -0.001 0.000 0.330 525 R C -2.052 174.327 176.300 0.131 0.000 1.069 525 R CA -1.114 55.079 56.100 0.155 0.000 0.941 525 R CB -0.125 30.267 30.300 0.153 0.000 0.998 525 R HN 0.542 nan 8.270 nan 0.000 0.452 526 P HA 0.043 nan 4.420 nan 0.000 0.296 526 P C -0.259 176.977 177.300 -0.106 0.000 1.295 526 P CA -0.172 62.923 63.100 -0.009 0.000 0.754 526 P CB 0.601 32.250 31.700 -0.084 0.000 1.311 527 E N -1.203 118.869 120.200 -0.213 0.000 2.498 527 E HA 0.023 4.372 4.350 -0.001 0.000 0.203 527 E C 0.704 177.085 176.600 -0.366 0.000 1.013 527 E CA 0.149 56.417 56.400 -0.220 0.000 0.927 527 E CB -0.478 29.137 29.700 -0.141 0.000 1.012 527 E HN 0.289 nan 8.360 nan 0.000 0.482 528 D N 0.332 120.329 120.400 -0.672 0.000 2.178 528 D HA -0.128 4.511 4.640 -0.001 0.000 0.202 528 D C 0.211 176.041 176.300 -0.782 0.000 0.974 528 D CA 1.004 54.475 54.000 -0.882 0.000 0.841 528 D CB -0.021 39.900 40.800 -1.464 0.000 0.953 528 D HN 0.330 nan 8.370 nan 0.000 0.478 529 F N -0.840 119.020 119.950 -0.150 0.000 2.597 529 F HA 0.360 4.886 4.527 -0.001 0.000 0.336 529 F C -2.029 173.556 175.800 -0.359 0.000 1.432 529 F CA -1.734 56.068 58.000 -0.329 0.000 1.120 529 F CB 1.220 40.204 39.000 -0.027 0.000 1.253 529 F HN -0.171 nan 8.300 nan 0.000 0.546 530 P HA 0.008 nan 4.420 nan 0.000 0.218 530 P C 1.224 178.400 177.300 -0.207 0.000 1.151 530 P CA 0.945 63.950 63.100 -0.158 0.000 0.850 530 P CB 0.313 31.935 31.700 -0.130 0.000 0.801 531 K N -0.221 120.004 120.400 -0.293 0.000 2.304 531 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 531 K C 0.205 176.741 176.600 -0.107 0.000 1.044 531 K CA 1.039 57.203 56.287 -0.206 0.000 0.932 531 K CB -0.693 31.685 32.500 -0.203 0.000 0.735 531 K HN 0.333 nan 8.250 nan 0.000 0.468 532 F N -0.607 119.354 119.950 0.018 0.000 2.493 532 F HA 0.381 4.907 4.527 -0.001 0.000 0.329 532 F C 0.013 175.799 175.800 -0.023 0.000 1.126 532 F CA -2.235 55.764 58.000 -0.001 0.000 0.937 532 F CB 0.613 39.614 39.000 0.002 0.000 1.146 532 F HN -0.211 nan 8.300 nan 0.000 0.442 533 M N 0.400 120.113 119.600 0.189 0.000 2.738 533 M HA 0.403 4.883 4.480 -0.001 0.000 0.295 533 M C 0.813 177.099 176.300 -0.024 0.000 1.266 533 M CA 0.260 55.588 55.300 0.046 0.000 0.985 533 M CB 0.434 32.961 32.600 -0.122 0.000 1.365 533 M HN 0.674 nan 8.290 nan 0.000 0.492 534 Q N 1.191 120.997 119.800 0.010 0.000 2.369 534 Q HA 0.109 4.448 4.340 -0.001 0.000 0.206 534 Q C 1.730 177.642 176.000 -0.148 0.000 0.963 534 Q CA 1.061 56.805 55.803 -0.097 0.000 0.894 534 Q CB -0.109 28.513 28.738 -0.194 0.000 0.965 534 Q HN 0.842 nan 8.270 nan 0.000 0.475 535 L N -0.357 120.738 121.223 -0.213 0.000 2.042 535 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 535 L C 1.175 177.896 176.870 -0.249 0.000 1.076 535 L CA 1.380 56.040 54.840 -0.300 0.000 0.749 535 L CB -0.113 41.662 42.059 -0.472 0.000 0.893 535 L HN 0.400 nan 8.230 nan 0.000 0.432 536 H N -0.947 118.095 119.070 -0.046 0.000 2.526 536 H HA -0.014 4.542 4.556 -0.001 0.000 0.274 536 H C 1.647 176.987 175.328 0.019 0.000 0.999 536 H CA 0.157 56.200 56.048 -0.009 0.000 1.157 536 H CB 0.231 29.738 29.762 -0.425 0.000 1.407 536 H HN 0.567 nan 8.280 nan 0.000 0.568 537 Q N 1.495 121.333 119.800 0.062 0.000 2.112 537 Q HA -0.186 4.153 4.340 -0.001 0.000 0.206 537 Q C 2.035 178.163 176.000 0.212 0.000 0.987 537 Q CA 1.219 57.091 55.803 0.115 0.000 0.858 537 Q CB 0.239 29.006 28.738 0.049 0.000 0.905 537 Q HN 0.090 nan 8.270 nan 0.000 0.420 538 K N 0.473 120.988 120.400 0.191 0.000 2.001 538 K HA -0.212 4.107 4.320 -0.001 0.000 0.223 538 K C 1.901 178.604 176.600 0.172 0.000 1.055 538 K CA 2.113 58.475 56.287 0.125 0.000 0.965 538 K CB -0.937 31.588 32.500 0.042 0.000 0.730 538 K HN 0.222 nan 8.250 nan 0.000 0.449 539 F N -0.067 119.974 119.950 0.151 0.000 2.065 539 F HA -0.220 4.306 4.527 -0.001 0.000 0.298 539 F C 2.478 178.437 175.800 0.266 0.000 1.112 539 F CA 1.292 59.411 58.000 0.198 0.000 1.212 539 F CB -1.306 37.828 39.000 0.223 0.000 0.975 539 F HN 0.129 nan 8.300 nan 0.000 0.476 540 Y N 0.873 121.338 120.300 0.275 0.000 2.556 540 Y HA -0.200 4.350 4.550 -0.001 0.000 0.290 540 Y C 2.070 178.032 175.900 0.103 0.000 1.149 540 Y CA 0.622 58.814 58.100 0.153 0.000 1.329 540 Y CB -1.194 37.339 38.460 0.122 0.000 0.975 540 Y HN 0.138 nan 8.280 nan 0.000 0.561 541 D N -0.990 119.550 120.400 0.233 0.000 2.117 541 D HA -0.116 4.523 4.640 -0.001 0.000 0.197 541 D C 1.180 177.526 176.300 0.077 0.000 0.987 541 D CA 1.003 55.077 54.000 0.123 0.000 0.829 541 D CB -0.287 40.564 40.800 0.085 0.000 0.961 541 D HN 0.031 nan 8.370 nan 0.000 0.460 542 S N 0.976 116.726 115.700 0.083 0.000 3.844 542 S HA 0.047 4.516 4.470 -0.001 0.000 0.193 542 S C 0.164 174.780 174.600 0.027 0.000 1.255 542 S CA 0.139 58.371 58.200 0.053 0.000 1.028 542 S CB -0.421 62.821 63.200 0.070 0.000 1.436 542 S HN 0.096 nan 8.310 nan 0.000 0.442 543 L N 0.000 121.227 121.223 0.006 0.000 2.949 543 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 543 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 543 L CB 0.000 42.018 42.059 -0.069 0.000 0.961 543 L HN 0.000 nan 8.230 nan 0.000 0.502