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_B 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 XXXXXLDDEV 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 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.089 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.055 0.000 1.302 2 L N 0.092 121.285 121.223 -0.051 0.000 2.739 2 L HA 0.750 5.089 4.340 -0.001 0.000 0.196 2 L C 0.174 177.046 176.870 0.003 0.000 1.405 2 L CA -0.046 54.783 54.840 -0.019 0.000 2.722 2 L CB 0.537 42.598 42.059 0.003 0.000 2.563 2 L HN 0.962 nan 8.230 nan 0.000 1.005 3 C N -2.416 116.897 119.300 0.021 0.000 3.132 3 C HA 0.109 4.568 4.460 -0.001 0.000 0.336 3 C C 1.141 176.158 174.990 0.044 0.000 1.387 3 C CA -0.306 58.729 59.018 0.028 0.000 1.202 3 C CB 0.864 28.624 27.740 0.032 0.000 1.451 3 C HN 0.857 nan 8.230 nan 0.000 0.433 4 E N 1.109 121.337 120.200 0.047 0.000 2.110 4 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 4 E C 1.495 178.154 176.600 0.098 0.000 0.988 4 E CA 1.812 58.248 56.400 0.059 0.000 0.804 4 E CB -0.081 29.649 29.700 0.050 0.000 0.745 4 E HN 0.710 nan 8.360 nan 0.000 0.458 5 I N 1.110 121.751 120.570 0.118 0.000 2.277 5 I HA -0.158 4.011 4.170 -0.001 0.000 0.243 5 I C 2.294 178.546 176.117 0.226 0.000 1.094 5 I CA 1.138 62.560 61.300 0.203 0.000 1.393 5 I CB -0.230 37.867 38.000 0.161 0.000 1.078 5 I HN 0.149 nan 8.210 nan 0.000 0.417 6 E N 0.059 120.346 120.200 0.146 0.000 2.204 6 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 6 E C 2.197 178.854 176.600 0.094 0.000 0.989 6 E CA 1.201 57.678 56.400 0.128 0.000 0.824 6 E CB -0.020 29.740 29.700 0.100 0.000 0.756 6 E HN 0.536 nan 8.360 nan 0.000 0.477 7 C N 0.030 119.375 119.300 0.075 0.000 2.512 7 C HA 0.119 4.579 4.460 -0.001 0.000 0.276 7 C C 2.442 177.449 174.990 0.027 0.000 1.368 7 C CA -0.280 58.770 59.018 0.053 0.000 1.755 7 C CB -0.577 27.189 27.740 0.044 0.000 2.008 7 C HN 0.352 nan 8.230 nan 0.000 0.511 8 R N 1.268 121.793 120.500 0.040 0.000 2.189 8 R HA -0.046 4.293 4.340 -0.001 0.000 0.223 8 R C 2.089 178.275 176.300 -0.191 0.000 1.092 8 R CA 1.304 57.413 56.100 0.016 0.000 0.989 8 R CB -0.154 30.233 30.300 0.143 0.000 0.876 8 R HN 0.515 nan 8.270 nan 0.000 0.457 9 A N 0.512 123.141 122.820 -0.318 0.000 1.930 9 A HA -0.039 4.280 4.320 -0.001 0.000 0.215 9 A C 1.988 179.434 177.584 -0.231 0.000 1.176 9 A CA 0.690 52.342 52.037 -0.641 0.000 0.632 9 A CB -0.227 18.524 19.000 -0.415 0.000 0.819 9 A HN 0.284 nan 8.150 nan 0.000 0.445 10 L N -0.182 120.994 121.223 -0.078 0.000 2.291 10 L HA -0.094 4.245 4.340 -0.001 0.000 0.214 10 L C 2.594 179.506 176.870 0.071 0.000 1.120 10 L CA 0.964 55.808 54.840 0.006 0.000 0.799 10 L CB -0.203 41.887 42.059 0.051 0.000 0.925 10 L HN 0.325 nan 8.230 nan 0.000 0.446 11 S N -0.910 114.795 115.700 0.008 0.000 2.348 11 S HA -0.132 4.337 4.470 -0.001 0.000 0.219 11 S C 2.010 176.613 174.600 0.004 0.000 1.033 11 S CA 1.612 59.816 58.200 0.008 0.000 0.974 11 S CB -0.280 62.908 63.200 -0.019 0.000 0.868 11 S HN 0.360 nan 8.310 nan 0.000 0.459 12 T N 2.593 117.114 114.554 -0.054 0.000 2.652 12 T HA -0.025 4.324 4.350 -0.001 0.000 0.267 12 T C 1.111 175.765 174.700 -0.077 0.000 1.039 12 T CA 1.343 63.430 62.100 -0.022 0.000 1.153 12 T CB -0.402 68.455 68.868 -0.018 0.000 0.863 12 T HN 0.422 nan 8.240 nan 0.000 0.428 13 A N 0.609 123.338 122.820 -0.153 0.000 2.990 13 A HA 0.372 4.691 4.320 -0.001 0.000 0.282 13 A C 0.612 178.069 177.584 -0.211 0.000 1.688 13 A CA -0.059 51.739 52.037 -0.398 0.000 1.391 13 A CB -0.589 18.136 19.000 -0.459 0.000 1.112 13 A HN 0.640 nan 8.150 nan 0.000 0.588 14 H N 0.267 119.216 119.070 -0.201 0.000 2.926 14 H HA 0.065 4.620 4.556 -0.001 0.000 0.249 14 H C 1.597 176.889 175.328 -0.061 0.000 0.963 14 H CA 1.270 57.258 56.048 -0.101 0.000 1.158 14 H CB 0.907 30.639 29.762 -0.049 0.000 1.445 14 H HN 0.485 nan 8.280 nan 0.000 0.452 15 T N 0.705 115.272 114.554 0.023 0.000 3.227 15 T HA 0.028 4.377 4.350 -0.001 0.000 0.257 15 T C 1.574 176.246 174.700 -0.046 0.000 1.162 15 T CA 0.553 62.672 62.100 0.031 0.000 1.051 15 T CB 0.031 68.896 68.868 -0.006 0.000 0.953 15 T HN 0.290 nan 8.240 nan 0.000 0.535 16 R N 0.002 120.410 120.500 -0.153 0.000 2.142 16 R HA 0.315 4.654 4.340 -0.001 0.000 0.204 16 R C 1.754 177.978 176.300 -0.126 0.000 1.059 16 R CA 0.228 56.215 56.100 -0.188 0.000 1.055 16 R CB -0.112 29.997 30.300 -0.319 0.000 0.976 16 R HN 0.313 nan 8.270 nan 0.000 0.483 17 L N 1.132 122.233 121.223 -0.204 0.000 2.552 17 L HA -0.002 4.337 4.340 -0.001 0.000 0.227 17 L C 1.874 178.758 176.870 0.024 0.000 1.146 17 L CA 0.330 55.099 54.840 -0.118 0.000 0.858 17 L CB 0.015 41.907 42.059 -0.278 0.000 0.969 17 L HN 0.159 nan 8.230 nan 0.000 0.451 18 I N -1.082 119.488 120.570 0.000 0.000 2.339 18 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 18 I C 2.368 178.524 176.117 0.065 0.000 1.096 18 I CA 1.261 62.597 61.300 0.060 0.000 1.408 18 I CB -0.825 37.236 38.000 0.103 0.000 1.092 18 I HN 0.262 nan 8.210 nan 0.000 0.423 19 H N 1.283 120.342 119.070 -0.018 0.000 2.357 19 H HA -0.059 4.496 4.556 -0.001 0.000 0.301 19 H C -0.044 175.288 175.328 0.006 0.000 1.082 19 H CA 1.286 57.324 56.048 -0.016 0.000 1.342 19 H CB 0.012 29.748 29.762 -0.044 0.000 1.389 19 H HN 0.389 nan 8.280 nan 0.000 0.511 20 D N -1.064 119.425 120.400 0.149 0.000 2.452 20 D HA 0.182 4.821 4.640 -0.001 0.000 0.226 20 D C -1.031 175.418 176.300 0.248 0.000 1.366 20 D CA -0.725 53.361 54.000 0.143 0.000 0.986 20 D CB -0.121 40.757 40.800 0.129 0.000 1.420 20 D HN 0.230 nan 8.370 nan 0.000 0.583 21 F N 1.326 121.306 119.950 0.050 0.000 3.075 21 F HA 0.252 4.778 4.527 -0.002 0.000 0.327 21 F C -2.016 173.823 175.800 0.065 0.000 1.038 21 F CA -0.603 57.466 58.000 0.116 0.000 1.285 21 F CB 1.143 40.243 39.000 0.167 0.000 1.570 21 F HN 0.170 nan 8.300 nan 0.000 0.762 22 E N 8.512 128.478 120.200 -0.390 0.000 2.167 22 E HA 0.490 4.840 4.350 -0.001 0.000 0.284 22 E C -2.289 173.776 176.600 -0.891 0.000 1.016 22 E CA -2.442 53.631 56.400 -0.545 0.000 0.817 22 E CB 1.689 31.241 29.700 -0.247 0.000 1.080 22 E HN 0.331 nan 8.360 nan 0.000 0.397 23 P HA -0.125 nan 4.420 nan 0.000 0.216 23 P C 0.597 177.440 177.300 -0.761 0.000 1.153 23 P CA 1.237 63.652 63.100 -1.142 0.000 0.848 23 P CB 0.207 31.444 31.700 -0.773 0.000 0.787 24 R N -0.085 120.138 120.500 -0.462 0.000 2.133 24 R HA -0.182 4.158 4.340 -0.001 0.000 0.247 24 R C 1.722 177.878 176.300 -0.240 0.000 1.151 24 R CA 1.725 57.648 56.100 -0.295 0.000 0.971 24 R CB -1.238 28.951 30.300 -0.185 0.000 0.866 24 R HN 0.254 nan 8.270 nan 0.000 0.447 25 D N 0.340 120.624 120.400 -0.193 0.000 2.228 25 D HA -0.156 4.483 4.640 -0.001 0.000 0.203 25 D C 1.486 177.837 176.300 0.084 0.000 0.988 25 D CA 1.609 55.624 54.000 0.024 0.000 0.864 25 D CB -0.050 40.822 40.800 0.119 0.000 0.928 25 D HN 0.399 nan 8.370 nan 0.000 0.469 26 A N -0.420 122.160 122.820 -0.401 0.000 2.197 26 A HA 0.179 4.498 4.320 -0.001 0.000 0.210 26 A C 2.173 179.459 177.584 -0.497 0.000 1.180 26 A CA -0.214 51.282 52.037 -0.901 0.000 0.846 26 A CB -0.153 18.078 19.000 -1.282 0.000 0.884 26 A HN 0.104 nan 8.150 nan 0.000 0.487 27 L N -0.207 120.746 121.223 -0.449 0.000 1.990 27 L HA -0.211 4.128 4.340 -0.001 0.000 0.213 27 L C 2.740 179.458 176.870 -0.253 0.000 1.072 27 L CA 2.047 56.632 54.840 -0.425 0.000 0.755 27 L CB -0.909 40.965 42.059 -0.308 0.000 0.889 27 L HN 0.340 nan 8.230 nan 0.000 0.432 28 T N -1.684 112.808 114.554 -0.104 0.000 2.788 28 T HA -0.267 4.083 4.350 -0.001 0.000 0.268 28 T C 1.669 176.380 174.700 0.019 0.000 1.044 28 T CA 1.474 63.562 62.100 -0.018 0.000 1.139 28 T CB -0.396 68.499 68.868 0.045 0.000 0.867 28 T HN 0.322 nan 8.240 nan 0.000 0.454 29 Y N 0.761 121.028 120.300 -0.054 0.000 2.373 29 Y HA 0.186 4.735 4.550 -0.002 0.000 0.293 29 Y C 1.802 177.675 175.900 -0.044 0.000 1.129 29 Y CA 0.850 58.946 58.100 -0.007 0.000 1.226 29 Y CB -0.075 38.466 38.460 0.136 0.000 1.000 29 Y HN 0.123 nan 8.280 nan 0.000 0.549 30 L N -0.555 120.635 121.223 -0.056 0.000 2.554 30 L HA 0.036 4.375 4.340 -0.001 0.000 0.225 30 L C 1.741 178.618 176.870 0.011 0.000 1.104 30 L CA 0.312 55.139 54.840 -0.023 0.000 0.866 30 L CB -0.073 42.020 42.059 0.057 0.000 1.047 30 L HN 0.177 nan 8.230 nan 0.000 0.468 31 E N 0.098 120.251 120.200 -0.079 0.000 2.274 31 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 31 E C 1.991 178.596 176.600 0.009 0.000 0.996 31 E CA 0.925 57.343 56.400 0.031 0.000 0.840 31 E CB 0.098 29.799 29.700 0.001 0.000 0.772 31 E HN 0.529 nan 8.360 nan 0.000 0.491 32 G N 1.597 110.358 108.800 -0.064 0.000 2.417 32 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.212 32 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.212 32 G C 1.288 176.119 174.900 -0.116 0.000 1.187 32 G CA -0.097 44.940 45.100 -0.105 0.000 0.804 32 G HN 0.034 nan 8.290 nan 0.000 0.534 33 K N 1.119 121.416 120.400 -0.171 0.000 2.699 33 K HA 0.023 4.342 4.320 -0.001 0.000 0.205 33 K C -0.142 176.450 176.600 -0.014 0.000 1.008 33 K CA 0.089 56.308 56.287 -0.114 0.000 1.100 33 K CB -0.607 31.816 32.500 -0.127 0.000 0.878 33 K HN 0.413 nan 8.250 nan 0.000 0.496 34 N N 0.755 119.458 118.700 0.005 0.000 2.667 34 N HA -0.200 4.539 4.740 -0.001 0.000 0.263 34 N C -0.333 175.202 175.510 0.041 0.000 1.038 34 N CA 0.160 53.227 53.050 0.029 0.000 0.749 34 N CB -0.743 37.746 38.487 0.004 0.000 0.892 34 N HN 0.308 nan 8.380 nan 0.000 0.546 35 I N -0.123 120.518 120.570 0.118 0.000 3.817 35 I HA 0.273 4.442 4.170 -0.001 0.000 0.322 35 I C -0.535 175.638 176.117 0.093 0.000 1.512 35 I CA 0.010 61.356 61.300 0.077 0.000 1.066 35 I CB 0.255 38.342 38.000 0.144 0.000 1.336 35 I HN 0.107 nan 8.210 nan 0.000 0.539 36 F N -0.020 119.894 119.950 -0.060 0.000 2.779 36 F HA 0.440 4.966 4.527 -0.001 0.000 0.316 36 F C -0.077 175.733 175.800 0.017 0.000 1.164 36 F CA -0.610 57.352 58.000 -0.063 0.000 0.924 36 F CB 2.115 41.134 39.000 0.030 0.000 1.348 36 F HN -0.189 nan 8.300 nan 0.000 0.467 37 T N -2.416 112.339 114.554 0.336 0.000 2.900 37 T HA 0.344 4.693 4.350 -0.001 0.000 0.295 37 T C 0.228 175.104 174.700 0.293 0.000 1.044 37 T CA -0.685 61.590 62.100 0.291 0.000 0.995 37 T CB 1.989 71.048 68.868 0.318 0.000 1.072 37 T HN 0.697 nan 8.240 nan 0.000 0.473 38 E N 0.902 121.207 120.200 0.175 0.000 2.160 38 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 38 E C 1.645 178.320 176.600 0.124 0.000 0.991 38 E CA 1.842 58.322 56.400 0.134 0.000 0.810 38 E CB 0.070 29.817 29.700 0.078 0.000 0.742 38 E HN 0.847 nan 8.360 nan 0.000 0.466 39 D N 0.075 120.533 120.400 0.097 0.000 2.097 39 D HA -0.224 4.415 4.640 -0.001 0.000 0.195 39 D C 1.746 178.087 176.300 0.068 0.000 0.989 39 D CA 1.086 55.110 54.000 0.040 0.000 0.827 39 D CB -0.700 40.081 40.800 -0.031 0.000 0.966 39 D HN 0.290 nan 8.370 nan 0.000 0.456 40 H N 1.396 120.547 119.070 0.134 0.000 2.265 40 H HA -0.148 4.407 4.556 -0.001 0.000 0.295 40 H C 2.696 178.206 175.328 0.302 0.000 1.084 40 H CA 2.381 58.552 56.048 0.205 0.000 1.261 40 H CB -0.328 29.566 29.762 0.219 0.000 1.360 40 H HN 0.362 nan 8.280 nan 0.000 0.487 41 S N 0.293 116.269 115.700 0.461 0.000 2.351 41 S HA -0.183 4.286 4.470 -0.001 0.000 0.220 41 S C 2.050 176.734 174.600 0.140 0.000 1.035 41 S CA 1.617 59.970 58.200 0.255 0.000 1.031 41 S CB -0.361 62.903 63.200 0.107 0.000 0.928 41 S HN 0.455 nan 8.310 nan 0.000 0.433 42 E N 0.685 120.949 120.200 0.107 0.000 2.110 42 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 42 E C 2.135 178.776 176.600 0.069 0.000 0.988 42 E CA 0.907 57.343 56.400 0.061 0.000 0.804 42 E CB -0.240 29.486 29.700 0.044 0.000 0.745 42 E HN 0.501 nan 8.360 nan 0.000 0.458 43 L N 1.155 122.433 121.223 0.092 0.000 2.189 43 L HA -0.199 4.140 4.340 -0.001 0.000 0.214 43 L C 1.778 178.710 176.870 0.104 0.000 1.097 43 L CA 1.627 56.516 54.840 0.081 0.000 0.764 43 L CB -0.325 41.773 42.059 0.065 0.000 0.900 43 L HN 0.211 nan 8.230 nan 0.000 0.436 44 I N -1.399 119.257 120.570 0.142 0.000 3.790 44 I HA -0.079 4.091 4.170 -0.001 0.000 0.305 44 I C 2.448 178.595 176.117 0.050 0.000 1.253 44 I CA 0.732 62.113 61.300 0.135 0.000 1.355 44 I CB 0.020 38.168 38.000 0.246 0.000 1.137 44 I HN 0.188 nan 8.210 nan 0.000 0.435 45 S N 1.923 117.639 115.700 0.028 0.000 2.461 45 S HA -0.090 4.379 4.470 -0.001 0.000 0.228 45 S C 1.045 175.637 174.600 -0.014 0.000 1.005 45 S CA 0.294 58.482 58.200 -0.021 0.000 0.942 45 S CB -0.404 62.780 63.200 -0.027 0.000 0.776 45 S HN 0.425 nan 8.310 nan 0.000 0.514 46 K N 1.830 122.234 120.400 0.007 0.000 2.457 46 K HA 0.487 4.806 4.320 -0.001 0.000 0.226 46 K C -0.520 176.086 176.600 0.010 0.000 1.114 46 K CA -0.262 56.027 56.287 0.004 0.000 1.089 46 K CB 0.356 32.860 32.500 0.007 0.000 1.739 46 K HN 0.162 nan 8.250 nan 0.000 0.473 47 M N 0.422 120.024 119.600 0.004 0.000 2.662 47 M HA 0.326 4.805 4.480 -0.001 0.000 0.310 47 M C 0.613 176.912 176.300 -0.001 0.000 1.204 47 M CA -0.706 54.599 55.300 0.009 0.000 0.891 47 M CB 1.746 34.357 32.600 0.019 0.000 1.732 47 M HN 0.292 nan 8.290 nan 0.000 0.467 48 S N 0.709 116.411 115.700 0.004 0.000 2.345 48 S HA 0.010 4.479 4.470 -0.001 0.000 0.219 48 S C 0.765 175.361 174.600 -0.006 0.000 1.031 48 S CA 1.046 59.245 58.200 -0.001 0.000 0.984 48 S CB 0.129 63.331 63.200 0.003 0.000 0.874 48 S HN 0.787 nan 8.310 nan 0.000 0.451 49 T N 0.337 114.890 114.554 -0.001 0.000 2.938 49 T HA 0.396 4.745 4.350 -0.001 0.000 0.285 49 T C 0.926 175.621 174.700 -0.009 0.000 1.028 49 T CA -0.726 61.370 62.100 -0.006 0.000 1.005 49 T CB 1.767 70.636 68.868 0.002 0.000 1.157 49 T HN 0.002 nan 8.240 nan 0.000 0.550 50 R N -0.271 120.218 120.500 -0.018 0.000 2.100 50 R HA 0.204 4.543 4.340 -0.001 0.000 0.220 50 R C 2.273 178.582 176.300 0.014 0.000 1.091 50 R CA 0.496 56.578 56.100 -0.029 0.000 0.986 50 R CB -0.336 29.929 30.300 -0.058 0.000 0.888 50 R HN 0.492 nan 8.270 nan 0.000 0.444 51 L N 0.807 122.051 121.223 0.034 0.000 2.263 51 L HA -0.236 4.103 4.340 -0.001 0.000 0.216 51 L C 1.722 178.646 176.870 0.089 0.000 1.111 51 L CA 1.367 56.251 54.840 0.073 0.000 0.773 51 L CB -0.105 41.993 42.059 0.065 0.000 0.906 51 L HN 0.186 nan 8.230 nan 0.000 0.439 52 E N -0.383 119.856 120.200 0.065 0.000 2.033 52 E HA -0.119 4.230 4.350 -0.001 0.000 0.189 52 E C 2.127 178.784 176.600 0.095 0.000 0.979 52 E CA 0.834 57.279 56.400 0.075 0.000 0.802 52 E CB -0.015 29.716 29.700 0.051 0.000 0.763 52 E HN 0.268 nan 8.360 nan 0.000 0.449 53 R N 0.116 120.651 120.500 0.059 0.000 2.328 53 R HA 0.018 4.358 4.340 -0.001 0.000 0.207 53 R C 1.666 178.029 176.300 0.105 0.000 1.056 53 R CA 0.637 56.767 56.100 0.049 0.000 1.016 53 R CB -0.080 30.189 30.300 -0.052 0.000 0.872 53 R HN 0.260 nan 8.270 nan 0.000 0.471 54 I N -0.938 119.725 120.570 0.155 0.000 2.899 54 I HA 0.009 4.178 4.170 -0.001 0.000 0.257 54 I C 2.288 178.607 176.117 0.337 0.000 1.115 54 I CA 0.443 61.924 61.300 0.302 0.000 1.451 54 I CB -0.267 37.891 38.000 0.264 0.000 1.251 54 I HN 0.067 nan 8.210 nan 0.000 0.456 55 A N 0.995 123.963 122.820 0.247 0.000 1.972 55 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 55 A C 1.969 179.675 177.584 0.203 0.000 1.169 55 A CA 1.782 53.950 52.037 0.218 0.000 0.635 55 A CB -0.582 18.514 19.000 0.161 0.000 0.810 55 A HN 0.375 nan 8.150 nan 0.000 0.446 56 N N -1.460 117.368 118.700 0.214 0.000 2.354 56 N HA -0.039 4.700 4.740 -0.001 0.000 0.179 56 N C 1.262 176.959 175.510 0.312 0.000 1.021 56 N CA 0.858 54.040 53.050 0.220 0.000 0.887 56 N CB -0.387 38.217 38.487 0.196 0.000 0.974 56 N HN 0.485 nan 8.380 nan 0.000 0.437 57 F N 1.154 121.232 119.950 0.213 0.000 2.206 57 F HA 0.107 4.633 4.527 -0.001 0.000 0.298 57 F C 1.944 177.909 175.800 0.275 0.000 1.090 57 F CA 0.716 58.887 58.000 0.285 0.000 1.323 57 F CB -0.279 38.895 39.000 0.290 0.000 1.028 57 F HN -0.076 nan 8.300 nan 0.000 0.492 58 L N -0.095 121.251 121.223 0.205 0.000 1.988 58 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 58 L C 2.792 179.712 176.870 0.084 0.000 1.071 58 L CA 1.567 56.469 54.840 0.103 0.000 0.744 58 L CB -0.731 41.439 42.059 0.185 0.000 0.893 58 L HN 0.010 nan 8.230 nan 0.000 0.433 59 R N 0.669 121.230 120.500 0.102 0.000 2.113 59 R HA -0.227 4.112 4.340 -0.001 0.000 0.244 59 R C 2.198 178.510 176.300 0.021 0.000 1.142 59 R CA 1.928 58.066 56.100 0.064 0.000 0.953 59 R CB -0.386 29.959 30.300 0.075 0.000 0.860 59 R HN 0.357 nan 8.270 nan 0.000 0.438 60 I N -0.255 120.327 120.570 0.021 0.000 2.439 60 I HA -0.233 3.936 4.170 -0.001 0.000 0.251 60 I C 2.068 178.039 176.117 -0.243 0.000 1.139 60 I CA 0.738 61.989 61.300 -0.082 0.000 1.438 60 I CB -0.245 37.734 38.000 -0.035 0.000 1.085 60 I HN 0.251 nan 8.210 nan 0.000 0.427 61 Y N 2.035 122.142 120.300 -0.322 0.000 2.200 61 Y HA -0.140 4.409 4.550 -0.001 0.000 0.290 61 Y C 2.336 178.099 175.900 -0.227 0.000 1.137 61 Y CA 1.430 59.314 58.100 -0.361 0.000 1.163 61 Y CB -0.140 38.062 38.460 -0.430 0.000 0.988 61 Y HN -0.030 nan 8.280 nan 0.000 0.518 62 R N 0.065 120.486 120.500 -0.132 0.000 2.357 62 R HA -0.051 4.288 4.340 -0.001 0.000 0.202 62 R C 1.742 177.926 176.300 -0.193 0.000 1.047 62 R CA 0.681 56.697 56.100 -0.140 0.000 1.034 62 R CB -0.072 30.213 30.300 -0.025 0.000 0.875 62 R HN 0.423 nan 8.270 nan 0.000 0.473 63 R N -0.641 119.706 120.500 -0.254 0.000 2.142 63 R HA 0.083 4.422 4.340 -0.001 0.000 0.204 63 R C 1.829 177.966 176.300 -0.271 0.000 1.059 63 R CA 0.339 56.310 56.100 -0.215 0.000 1.055 63 R CB 0.304 30.501 30.300 -0.172 0.000 0.976 63 R HN 0.136 nan 8.270 nan 0.000 0.483 64 Q N 0.149 119.708 119.800 -0.402 0.000 2.373 64 Q HA 0.242 4.581 4.340 -0.001 0.000 0.210 64 Q C 0.222 176.017 176.000 -0.341 0.000 0.913 64 Q CA 0.289 55.869 55.803 -0.371 0.000 0.911 64 Q CB 0.849 29.303 28.738 -0.474 0.000 1.040 64 Q HN 0.099 nan 8.270 nan 0.000 0.521 65 A N 0.906 123.429 122.820 -0.495 0.000 2.320 65 A HA 0.287 4.606 4.320 -0.001 0.000 0.287 65 A C 0.875 178.327 177.584 -0.221 0.000 1.181 65 A CA -0.255 51.551 52.037 -0.384 0.000 0.831 65 A CB 0.659 19.276 19.000 -0.639 0.000 1.102 65 A HN 0.098 nan 8.150 nan 0.000 0.513 66 S N 0.994 116.622 115.700 -0.119 0.000 2.584 66 S HA -0.033 4.436 4.470 -0.001 0.000 0.240 66 S C 0.682 175.256 174.600 -0.043 0.000 0.975 66 S CA 1.282 59.440 58.200 -0.070 0.000 0.949 66 S CB -0.438 62.737 63.200 -0.041 0.000 0.761 66 S HN 0.926 nan 8.310 nan 0.000 0.536 67 E N -0.367 119.810 120.200 -0.039 0.000 2.421 67 E HA 0.059 4.409 4.350 -0.001 0.000 0.276 67 E C -1.777 174.867 176.600 0.073 0.000 1.154 67 E CA -0.747 55.662 56.400 0.015 0.000 0.883 67 E CB -0.056 29.667 29.700 0.038 0.000 1.429 67 E HN 0.012 nan 8.360 nan 0.000 0.436 68 L N 1.909 123.210 121.223 0.130 0.000 2.315 68 L HA 0.594 4.933 4.340 -0.001 0.000 0.278 68 L C 0.179 177.159 176.870 0.182 0.000 1.088 68 L CA 1.029 56.001 54.840 0.219 0.000 0.899 68 L CB -0.361 41.825 42.059 0.211 0.000 1.277 68 L HN 0.864 nan 8.230 nan 0.000 0.431 69 G N 4.694 113.614 108.800 0.201 0.000 2.645 69 G HA2 0.109 4.068 3.960 -0.001 0.000 0.208 69 G HA3 0.109 4.068 3.960 -0.001 0.000 0.208 69 G C -1.754 173.265 174.900 0.200 0.000 1.264 69 G CA 0.200 45.401 45.100 0.169 0.000 0.586 69 G HN 0.438 nan 8.290 nan 0.000 0.952 70 P HA 0.109 nan 4.420 nan 0.000 0.274 70 P C 0.786 178.245 177.300 0.266 0.000 1.370 70 P CA 0.559 63.839 63.100 0.300 0.000 0.760 70 P CB 0.135 32.011 31.700 0.294 0.000 1.308 71 L N -2.104 119.211 121.223 0.153 0.000 3.017 71 L HA 0.134 4.474 4.340 -0.001 0.000 0.265 71 L C 1.237 178.153 176.870 0.076 0.000 1.128 71 L CA 0.512 55.345 54.840 -0.012 0.000 0.984 71 L CB 0.084 41.998 42.059 -0.241 0.000 1.464 71 L HN -0.147 nan 8.230 nan 0.000 0.556 72 I N 0.364 121.026 120.570 0.152 0.000 2.703 72 I HA -0.015 4.155 4.170 -0.001 0.000 0.259 72 I C 0.713 176.918 176.117 0.147 0.000 1.151 72 I CA 0.654 62.064 61.300 0.182 0.000 1.470 72 I CB -0.756 37.342 38.000 0.163 0.000 1.112 72 I HN 0.134 nan 8.210 nan 0.000 0.437 73 D N 0.487 120.981 120.400 0.158 0.000 2.841 73 D HA 0.005 4.644 4.640 -0.001 0.000 0.244 73 D C 0.971 177.336 176.300 0.108 0.000 1.228 73 D CA 0.334 54.428 54.000 0.157 0.000 0.872 73 D CB -0.091 40.844 40.800 0.225 0.000 1.082 73 D HN 0.317 nan 8.370 nan 0.000 0.457 74 F N -1.632 118.228 119.950 -0.149 0.000 2.300 74 F HA 0.155 4.681 4.527 -0.001 0.000 0.307 74 F C 1.164 176.776 175.800 -0.314 0.000 0.847 74 F CA -0.176 57.627 58.000 -0.329 0.000 1.076 74 F CB -0.143 38.567 39.000 -0.484 0.000 1.075 74 F HN -0.162 nan 8.300 nan 0.000 0.702 75 F N 1.761 121.621 119.950 -0.150 0.000 2.269 75 F HA -0.192 4.335 4.527 -0.002 0.000 0.301 75 F C 2.018 177.618 175.800 -0.333 0.000 1.082 75 F CA 1.192 59.014 58.000 -0.297 0.000 1.360 75 F CB -0.421 38.494 39.000 -0.142 0.000 1.041 75 F HN 0.079 nan 8.300 nan 0.000 0.512 76 N N 0.115 118.787 118.700 -0.047 0.000 2.039 76 N HA -0.252 4.488 4.740 -0.001 0.000 0.193 76 N C 1.755 177.193 175.510 -0.121 0.000 1.044 76 N CA 1.644 54.658 53.050 -0.059 0.000 0.847 76 N CB -1.066 37.429 38.487 0.013 0.000 1.030 76 N HN 0.409 nan 8.380 nan 0.000 0.422 77 Y N 0.848 120.994 120.300 -0.257 0.000 2.483 77 Y HA 0.023 4.572 4.550 -0.001 0.000 0.291 77 Y C 0.809 176.491 175.900 -0.363 0.000 1.143 77 Y CA 0.936 58.863 58.100 -0.288 0.000 1.289 77 Y CB -0.488 37.794 38.460 -0.296 0.000 0.983 77 Y HN -0.084 nan 8.280 nan 0.000 0.556 78 N N 1.466 119.575 118.700 -0.985 0.000 2.376 78 N HA 0.051 4.790 4.740 -0.001 0.000 0.249 78 N C -0.091 175.160 175.510 -0.432 0.000 1.140 78 N CA 0.233 52.715 53.050 -0.947 0.000 0.870 78 N CB -0.714 37.055 38.487 -1.196 0.000 1.124 78 N HN 0.327 nan 8.380 nan 0.000 0.505 79 N N -0.053 118.474 118.700 -0.288 0.000 2.765 79 N HA -0.238 4.501 4.740 -0.001 0.000 0.248 79 N C -0.542 174.845 175.510 -0.206 0.000 1.063 79 N CA 0.976 53.928 53.050 -0.164 0.000 0.862 79 N CB -0.695 37.734 38.487 -0.096 0.000 1.145 79 N HN 0.570 nan 8.380 nan 0.000 0.581 80 Q N -0.676 118.927 119.800 -0.328 0.000 2.341 80 Q HA 0.304 4.643 4.340 -0.001 0.000 0.325 80 Q C 0.941 176.568 176.000 -0.622 0.000 0.920 80 Q CA -0.168 55.248 55.803 -0.644 0.000 1.065 80 Q CB 0.318 28.893 28.738 -0.271 0.000 1.218 80 Q HN 0.202 nan 8.270 nan 0.000 0.434 81 S N 0.531 115.991 115.700 -0.400 0.000 2.419 81 S HA -0.185 4.285 4.470 -0.001 0.000 0.235 81 S C 1.594 176.094 174.600 -0.168 0.000 1.019 81 S CA 1.189 59.275 58.200 -0.190 0.000 0.982 81 S CB -0.355 62.798 63.200 -0.078 0.000 0.789 81 S HN 0.687 nan 8.310 nan 0.000 0.490 82 H N 0.595 119.643 119.070 -0.036 0.000 2.543 82 H HA 0.123 4.678 4.556 -0.002 0.000 0.286 82 H C 1.662 176.945 175.328 -0.075 0.000 1.037 82 H CA 0.707 56.729 56.048 -0.042 0.000 1.250 82 H CB -0.362 29.368 29.762 -0.053 0.000 1.373 82 H HN 0.377 nan 8.280 nan 0.000 0.580 83 L N 0.517 121.611 121.223 -0.216 0.000 2.185 83 L HA 0.165 4.504 4.340 -0.001 0.000 0.198 83 L C 2.990 179.778 176.870 -0.137 0.000 1.079 83 L CA 0.683 55.348 54.840 -0.293 0.000 0.780 83 L CB -0.529 41.039 42.059 -0.818 0.000 0.955 83 L HN 0.252 nan 8.230 nan 0.000 0.462 84 A N -0.027 122.759 122.820 -0.057 0.000 2.076 84 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 84 A C 1.759 179.402 177.584 0.099 0.000 1.160 84 A CA 1.864 53.969 52.037 0.113 0.000 0.653 84 A CB -0.493 18.606 19.000 0.165 0.000 0.801 84 A HN 0.390 nan 8.150 nan 0.000 0.455 85 D N -1.302 119.144 120.400 0.076 0.000 2.137 85 D HA -0.065 4.574 4.640 -0.001 0.000 0.202 85 D C 1.584 177.955 176.300 0.118 0.000 0.970 85 D CA 0.883 54.937 54.000 0.089 0.000 0.837 85 D CB -0.436 40.410 40.800 0.076 0.000 0.981 85 D HN 0.492 nan 8.370 nan 0.000 0.475 86 F N 1.607 121.558 119.950 0.002 0.000 2.095 86 F HA -0.185 4.341 4.527 -0.002 0.000 0.298 86 F C 2.163 177.995 175.800 0.053 0.000 1.104 86 F CA 1.339 59.343 58.000 0.008 0.000 1.232 86 F CB -0.166 38.810 39.000 -0.041 0.000 0.987 86 F HN -0.122 nan 8.300 nan 0.000 0.475 87 L N -0.176 121.217 121.223 0.284 0.000 2.093 87 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 87 L C 2.470 179.438 176.870 0.163 0.000 1.085 87 L CA 1.048 56.020 54.840 0.220 0.000 0.755 87 L CB -0.819 41.352 42.059 0.186 0.000 0.904 87 L HN 0.154 nan 8.230 nan 0.000 0.435 88 E N 0.413 120.691 120.200 0.129 0.000 2.077 88 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 88 E C 1.735 178.398 176.600 0.105 0.000 0.989 88 E CA 1.356 57.823 56.400 0.111 0.000 0.800 88 E CB -0.225 29.530 29.700 0.092 0.000 0.746 88 E HN 0.511 nan 8.360 nan 0.000 0.452 89 D N -0.148 120.292 120.400 0.067 0.000 2.144 89 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 89 D C 1.818 178.203 176.300 0.142 0.000 0.984 89 D CA 0.777 54.834 54.000 0.094 0.000 0.834 89 D CB -0.439 40.319 40.800 -0.071 0.000 0.955 89 D HN 0.256 nan 8.370 nan 0.000 0.465 90 Y N 0.932 121.175 120.300 -0.095 0.000 2.314 90 Y HA -0.025 4.524 4.550 -0.002 0.000 0.293 90 Y C 2.213 178.148 175.900 0.058 0.000 1.129 90 Y CA 0.753 58.817 58.100 -0.060 0.000 1.201 90 Y CB -0.048 38.356 38.460 -0.094 0.000 0.999 90 Y HN -0.103 nan 8.280 nan 0.000 0.541 91 I N -0.411 120.292 120.570 0.221 0.000 2.394 91 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 91 I C 1.496 177.648 176.117 0.060 0.000 1.136 91 I CA 1.549 62.936 61.300 0.144 0.000 1.425 91 I CB -0.176 37.905 38.000 0.136 0.000 1.079 91 I HN 0.245 nan 8.210 nan 0.000 0.425 92 D N 0.554 120.997 120.400 0.072 0.000 2.123 92 D HA -0.127 4.512 4.640 -0.001 0.000 0.200 92 D C 1.448 177.672 176.300 -0.127 0.000 0.976 92 D CA 1.378 55.363 54.000 -0.025 0.000 0.831 92 D CB -0.173 40.605 40.800 -0.036 0.000 0.974 92 D HN 0.328 nan 8.370 nan 0.000 0.469 93 F N 0.030 119.882 119.950 -0.163 0.000 2.695 93 F HA 0.243 4.769 4.527 -0.001 0.000 0.301 93 F C 1.542 177.207 175.800 -0.224 0.000 1.182 93 F CA -0.314 57.572 58.000 -0.190 0.000 1.412 93 F CB 0.321 39.185 39.000 -0.227 0.000 1.056 93 F HN -0.073 nan 8.300 nan 0.000 0.522 94 A N -0.101 122.677 122.820 -0.069 0.000 1.937 94 A HA 0.207 4.526 4.320 -0.001 0.000 0.198 94 A C 1.674 179.229 177.584 -0.048 0.000 1.635 94 A CA 0.122 52.111 52.037 -0.079 0.000 1.111 94 A CB -0.197 18.743 19.000 -0.101 0.000 1.165 94 A HN 0.325 nan 8.150 nan 0.000 0.460 95 I N -3.642 116.902 120.570 -0.043 0.000 3.462 95 I HA 0.212 4.381 4.170 -0.001 0.000 0.290 95 I C 1.209 177.290 176.117 -0.059 0.000 1.236 95 I CA 0.767 62.046 61.300 -0.035 0.000 1.418 95 I CB -0.031 37.961 38.000 -0.013 0.000 1.102 95 I HN 0.017 nan 8.210 nan 0.000 0.441 96 N N 1.243 119.884 118.700 -0.098 0.000 2.436 96 N HA 0.059 4.799 4.740 -0.001 0.000 0.178 96 N C 0.001 175.429 175.510 -0.137 0.000 1.026 96 N CA 0.655 53.630 53.050 -0.124 0.000 0.880 96 N CB 0.160 38.545 38.487 -0.170 0.000 1.061 96 N HN 0.304 nan 8.380 nan 0.000 0.434 97 E N 1.266 121.368 120.200 -0.163 0.000 2.089 97 E HA 0.244 4.593 4.350 -0.001 0.000 0.284 97 E C -2.216 174.344 176.600 -0.068 0.000 1.023 97 E CA -1.879 54.449 56.400 -0.120 0.000 0.819 97 E CB 1.324 30.948 29.700 -0.126 0.000 1.076 97 E HN 0.106 nan 8.360 nan 0.000 0.396 98 P HA 0.134 nan 4.420 nan 0.000 0.220 98 P C -1.640 175.644 177.300 -0.026 0.000 1.778 98 P CA -0.208 62.870 63.100 -0.036 0.000 0.912 98 P CB -0.169 31.512 31.700 -0.032 0.000 1.861 99 D N -1.762 118.624 120.400 -0.023 0.000 2.734 99 D HA 0.238 4.877 4.640 -0.001 0.000 0.224 99 D C -0.422 175.875 176.300 -0.005 0.000 1.222 99 D CA -0.604 53.389 54.000 -0.012 0.000 0.761 99 D CB 0.322 41.116 40.800 -0.009 0.000 1.569 99 D HN -0.170 nan 8.370 nan 0.000 0.477 100 L N 0.447 121.667 121.223 -0.005 0.000 2.603 100 L HA 0.518 4.857 4.340 -0.001 0.000 0.189 100 L C 0.286 177.158 176.870 0.003 0.000 1.082 100 L CA 0.378 55.215 54.840 -0.006 0.000 0.921 100 L CB 0.302 42.347 42.059 -0.023 0.000 1.694 100 L HN 0.692 nan 8.230 nan 0.000 0.491 101 L N -2.107 119.121 121.223 0.008 0.000 3.188 101 L HA 0.287 4.626 4.340 -0.001 0.000 0.327 101 L C -0.398 176.482 176.870 0.017 0.000 1.009 101 L CA -0.311 54.538 54.840 0.015 0.000 1.373 101 L CB 0.857 42.930 42.059 0.024 0.000 2.331 101 L HN 0.177 nan 8.230 nan 0.000 0.594 102 R N 1.090 121.598 120.500 0.014 0.000 1.070 102 R HA -0.147 4.192 4.340 -0.001 0.000 0.423 102 R C -2.602 173.711 176.300 0.022 0.000 1.363 102 R CA 0.023 56.130 56.100 0.011 0.000 1.323 102 R CB -0.845 29.459 30.300 0.006 0.000 3.683 102 R HN -0.137 nan 8.270 nan 0.000 0.499 103 P HA -0.057 nan 4.420 nan 0.000 0.237 103 P C -0.335 176.993 177.300 0.047 0.000 1.149 103 P CA 0.360 63.473 63.100 0.022 0.000 1.254 103 P CB 0.134 31.829 31.700 -0.007 0.000 1.382 104 V N 2.133 122.097 119.914 0.084 0.000 6.054 104 V HA 0.343 4.462 4.120 -0.001 0.000 0.082 104 V C -0.026 176.187 176.094 0.197 0.000 0.991 104 V CA -0.381 61.992 62.300 0.121 0.000 1.253 104 V CB 0.761 32.624 31.823 0.067 0.000 2.395 104 V HN -0.115 nan 8.190 nan 0.000 0.360 105 V N 1.529 121.501 119.914 0.097 0.000 2.498 105 V HA 0.504 4.623 4.120 -0.001 0.000 0.283 105 V C -0.187 175.897 176.094 -0.017 0.000 1.015 105 V CA 0.148 62.455 62.300 0.011 0.000 0.867 105 V CB 1.477 33.238 31.823 -0.103 0.000 1.025 105 V HN 0.578 nan 8.190 nan 0.000 0.441 106 I N 2.358 122.930 120.570 0.002 0.000 4.338 106 I HA 0.371 4.540 4.170 -0.001 0.000 0.329 106 I C 1.096 177.202 176.117 -0.019 0.000 1.378 106 I CA 0.423 61.717 61.300 -0.009 0.000 1.170 106 I CB 1.169 39.178 38.000 0.016 0.000 1.206 106 I HN 0.634 nan 8.210 nan 0.000 0.432 107 A N 2.381 125.186 122.820 -0.025 0.000 3.204 107 A HA 0.586 4.905 4.320 -0.001 0.000 0.327 107 A C -2.476 175.013 177.584 -0.158 0.000 0.998 107 A CA -0.938 51.082 52.037 -0.028 0.000 0.891 107 A CB -0.522 18.516 19.000 0.065 0.000 1.061 107 A HN -0.040 nan 8.150 nan 0.000 0.478 108 P HA 0.522 nan 4.420 nan 0.000 0.274 108 P C -0.215 176.883 177.300 -0.337 0.000 1.256 108 P CA 0.069 62.889 63.100 -0.468 0.000 0.795 108 P CB 0.450 31.975 31.700 -0.292 0.000 1.038 109 Q N -1.116 118.463 119.800 -0.368 0.000 2.345 109 Q HA -0.085 4.254 4.340 -0.001 0.000 0.282 109 Q C -0.215 175.788 176.000 0.005 0.000 1.071 109 Q CA 0.269 55.987 55.803 -0.142 0.000 0.867 109 Q CB -2.693 26.006 28.738 -0.065 0.000 1.146 109 Q HN 0.480 nan 8.270 nan 0.000 0.503 110 F N -0.750 119.196 119.950 -0.007 0.000 2.724 110 F HA -0.118 4.408 4.527 -0.001 0.000 0.297 110 F C 2.040 177.833 175.800 -0.011 0.000 1.200 110 F CA 0.485 58.480 58.000 -0.009 0.000 1.468 110 F CB 0.014 39.010 39.000 -0.008 0.000 1.116 110 F HN 0.378 nan 8.300 nan 0.000 0.599 111 S N 0.646 116.424 115.700 0.131 0.000 2.474 111 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 111 S C 1.527 176.160 174.600 0.055 0.000 0.997 111 S CA 0.491 58.732 58.200 0.069 0.000 0.949 111 S CB -0.203 63.013 63.200 0.026 0.000 0.766 111 S HN 0.505 nan 8.310 nan 0.000 0.517 112 R N -0.706 119.835 120.500 0.068 0.000 2.509 112 R HA 0.336 4.676 4.340 -0.001 0.000 0.297 112 R C 1.221 177.553 176.300 0.053 0.000 0.951 112 R CA -0.319 55.808 56.100 0.044 0.000 1.103 112 R CB -0.013 30.306 30.300 0.031 0.000 1.283 112 R HN 0.261 nan 8.270 nan 0.000 0.534 113 Q N 1.156 121.017 119.800 0.102 0.000 1.868 113 Q HA 0.085 4.424 4.340 -0.001 0.000 0.233 113 Q C 1.965 177.966 176.000 0.002 0.000 0.967 113 Q CA 0.735 56.585 55.803 0.078 0.000 0.863 113 Q CB -0.252 28.603 28.738 0.195 0.000 0.907 113 Q HN 0.090 nan 8.270 nan 0.000 0.442 114 M N 0.579 120.167 119.600 -0.019 0.000 2.144 114 M HA -0.158 4.321 4.480 -0.001 0.000 0.260 114 M C 1.558 177.847 176.300 -0.018 0.000 1.067 114 M CA 1.028 56.292 55.300 -0.059 0.000 1.095 114 M CB -0.348 32.219 32.600 -0.054 0.000 1.365 114 M HN 0.172 nan 8.290 nan 0.000 0.406 115 L N -0.018 121.215 121.223 0.016 0.000 2.606 115 L HA -0.077 4.262 4.340 -0.001 0.000 0.148 115 L C 1.494 178.355 176.870 -0.015 0.000 1.534 115 L CA 0.819 55.660 54.840 0.001 0.000 2.847 115 L CB -0.429 41.640 42.059 0.017 0.000 2.929 115 L HN 0.183 nan 8.230 nan 0.000 0.814 116 D N -0.387 120.005 120.400 -0.013 0.000 3.134 116 D HA -0.321 4.318 4.640 -0.001 0.000 0.482 116 D C 2.062 178.346 176.300 -0.026 0.000 1.049 116 D CA 2.290 56.278 54.000 -0.021 0.000 1.379 116 D CB -0.148 40.647 40.800 -0.008 0.000 0.865 116 D HN 0.265 nan 8.370 nan 0.000 0.499 117 R N 0.262 120.753 120.500 -0.015 0.000 2.070 117 R HA -0.026 4.313 4.340 -0.001 0.000 0.232 117 R C 2.363 178.644 176.300 -0.032 0.000 1.138 117 R CA 1.421 57.510 56.100 -0.019 0.000 0.936 117 R CB -0.763 29.532 30.300 -0.009 0.000 0.839 117 R HN 0.343 nan 8.270 nan 0.000 0.429 118 K N 0.442 120.817 120.400 -0.042 0.000 2.147 118 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 118 K C 2.181 178.748 176.600 -0.055 0.000 1.049 118 K CA 0.936 57.191 56.287 -0.053 0.000 0.936 118 K CB -0.096 32.361 32.500 -0.071 0.000 0.722 118 K HN 0.102 nan 8.250 nan 0.000 0.446 119 L N 0.070 121.257 121.223 -0.059 0.000 2.162 119 L HA -0.066 4.273 4.340 -0.001 0.000 0.205 119 L C 2.145 178.961 176.870 -0.090 0.000 1.086 119 L CA 0.251 55.044 54.840 -0.079 0.000 0.778 119 L CB -0.152 41.853 42.059 -0.089 0.000 0.928 119 L HN 0.144 nan 8.230 nan 0.000 0.446 120 L N 0.043 121.223 121.223 -0.072 0.000 2.291 120 L HA -0.100 4.239 4.340 -0.001 0.000 0.214 120 L C 1.935 178.773 176.870 -0.054 0.000 1.120 120 L CA 1.587 56.384 54.840 -0.071 0.000 0.799 120 L CB -0.171 41.856 42.059 -0.053 0.000 0.925 120 L HN 0.155 nan 8.230 nan 0.000 0.446 121 L N -1.969 119.230 121.223 -0.041 0.000 2.592 121 L HA 0.283 4.622 4.340 -0.001 0.000 0.227 121 L C 2.045 178.906 176.870 -0.015 0.000 1.127 121 L CA 0.498 55.324 54.840 -0.023 0.000 0.884 121 L CB -0.836 41.212 42.059 -0.018 0.000 1.065 121 L HN 0.234 nan 8.230 nan 0.000 0.457 122 G N -0.607 108.175 108.800 -0.030 0.000 2.985 122 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.209 122 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.209 122 G C 0.598 175.502 174.900 0.006 0.000 1.165 122 G CA -0.176 44.920 45.100 -0.006 0.000 0.776 122 G HN 0.564 nan 8.290 nan 0.000 0.541 123 N N -1.045 117.626 118.700 -0.049 0.000 2.708 123 N HA -0.165 4.574 4.740 -0.001 0.000 0.249 123 N C -0.187 175.136 175.510 -0.312 0.000 1.097 123 N CA -0.061 52.932 53.050 -0.095 0.000 0.710 123 N CB -0.855 37.641 38.487 0.015 0.000 1.032 123 N HN 0.144 nan 8.380 nan 0.000 0.551 124 V N 0.801 120.490 119.914 -0.375 0.000 2.637 124 V HA 0.233 4.352 4.120 -0.001 0.000 0.296 124 V C -1.434 174.298 176.094 -0.602 0.000 1.046 124 V CA -0.704 61.153 62.300 -0.738 0.000 1.066 124 V CB 0.891 32.425 31.823 -0.482 0.000 0.968 124 V HN 0.052 nan 8.190 nan 0.000 0.483 125 P HA 0.235 nan 4.420 nan 0.000 0.278 125 P C -0.525 176.603 177.300 -0.287 0.000 1.258 125 P CA -0.874 61.980 63.100 -0.409 0.000 0.811 125 P CB 0.532 32.016 31.700 -0.360 0.000 1.063 126 K N 1.970 122.270 120.400 -0.168 0.000 2.472 126 K HA -0.025 4.294 4.320 -0.001 0.000 0.280 126 K C 0.480 177.022 176.600 -0.097 0.000 1.028 126 K CA 0.258 56.477 56.287 -0.112 0.000 1.045 126 K CB 0.279 32.740 32.500 -0.066 0.000 0.902 126 K HN 0.509 nan 8.250 nan 0.000 0.478 127 Q N 2.985 122.735 119.800 -0.083 0.000 2.584 127 Q HA 0.065 4.404 4.340 -0.001 0.000 0.235 127 Q C -0.078 175.914 176.000 -0.013 0.000 1.079 127 Q CA -0.046 55.727 55.803 -0.049 0.000 0.977 127 Q CB 0.502 29.218 28.738 -0.037 0.000 1.293 127 Q HN 0.363 nan 8.270 nan 0.000 0.553 128 M N 1.489 121.096 119.600 0.012 0.000 2.233 128 M HA 0.134 4.613 4.480 -0.001 0.000 0.355 128 M C 0.237 176.563 176.300 0.043 0.000 1.191 128 M CA -0.006 55.321 55.300 0.044 0.000 1.101 128 M CB 1.549 34.194 32.600 0.074 0.000 1.592 128 M HN 0.924 nan 8.290 nan 0.000 0.461 129 T N 1.351 115.938 114.554 0.055 0.000 2.837 129 T HA -0.014 4.335 4.350 -0.001 0.000 0.248 129 T C 1.405 176.113 174.700 0.013 0.000 1.033 129 T CA 0.908 63.025 62.100 0.029 0.000 1.150 129 T CB 0.022 68.909 68.868 0.032 0.000 0.865 129 T HN 0.778 nan 8.240 nan 0.000 0.425 130 C N 0.891 120.205 119.300 0.024 0.000 2.626 130 C HA 0.419 4.878 4.460 -0.001 0.000 0.266 130 C C 0.102 175.004 174.990 -0.147 0.000 1.317 130 C CA -0.832 58.115 59.018 -0.118 0.000 1.716 130 C CB -1.700 25.898 27.740 -0.237 0.000 1.819 130 C HN 0.576 nan 8.230 nan 0.000 0.578 131 Y N -0.561 119.663 120.300 -0.128 0.000 2.521 131 Y HA 0.650 5.199 4.550 -0.001 0.000 0.332 131 Y C -1.712 174.154 175.900 -0.056 0.000 1.121 131 Y CA -1.545 56.502 58.100 -0.089 0.000 1.037 131 Y CB 0.669 39.102 38.460 -0.044 0.000 1.330 131 Y HN 0.014 nan 8.280 nan 0.000 0.452 132 I N 5.335 125.616 120.570 -0.481 0.000 2.512 132 I HA 0.415 4.584 4.170 -0.001 0.000 0.287 132 I C -0.628 175.290 176.117 -0.333 0.000 1.069 132 I CA -0.603 60.561 61.300 -0.227 0.000 1.056 132 I CB 2.037 39.957 38.000 -0.134 0.000 1.229 132 I HN 0.567 nan 8.210 nan 0.000 0.429 133 R N 5.585 126.097 120.500 0.020 0.000 2.309 133 R HA 0.153 4.492 4.340 -0.001 0.000 0.331 133 R C 0.806 177.165 176.300 0.098 0.000 1.116 133 R CA -0.114 56.060 56.100 0.123 0.000 0.970 133 R CB 0.474 30.932 30.300 0.263 0.000 1.024 133 R HN 0.581 nan 8.270 nan 0.000 0.472 134 E N 3.106 123.333 120.200 0.045 0.000 1.995 134 E HA -0.322 4.027 4.350 -0.001 0.000 0.207 134 E C 1.207 177.898 176.600 0.151 0.000 1.016 134 E CA 1.396 57.832 56.400 0.061 0.000 0.865 134 E CB -0.729 28.985 29.700 0.023 0.000 0.797 134 E HN 0.607 nan 8.360 nan 0.000 0.491 135 Y N 1.661 121.953 120.300 -0.013 0.000 2.130 135 Y HA -0.373 4.176 4.550 -0.001 0.000 0.245 135 Y C 2.383 178.211 175.900 -0.120 0.000 1.287 135 Y CA 2.490 60.535 58.100 -0.091 0.000 1.047 135 Y CB -1.330 37.040 38.460 -0.150 0.000 0.849 135 Y HN 0.313 nan 8.280 nan 0.000 0.517 136 H N -1.737 117.372 119.070 0.066 0.000 2.294 136 H HA -0.047 4.508 4.556 -0.001 0.000 0.306 136 H C 2.356 177.686 175.328 0.003 0.000 1.065 136 H CA 1.902 57.908 56.048 -0.070 0.000 1.343 136 H CB -0.667 29.038 29.762 -0.095 0.000 1.396 136 H HN 0.173 nan 8.280 nan 0.000 0.506 137 V N 1.329 121.336 119.914 0.156 0.000 2.370 137 V HA -0.296 3.823 4.120 -0.001 0.000 0.252 137 V C 1.539 177.680 176.094 0.078 0.000 1.068 137 V CA 2.088 64.446 62.300 0.097 0.000 1.061 137 V CB -0.417 31.450 31.823 0.074 0.000 0.656 137 V HN 0.463 nan 8.190 nan 0.000 0.455 138 D N -0.035 120.414 120.400 0.081 0.000 2.077 138 D HA -0.114 4.526 4.640 -0.001 0.000 0.196 138 D C 2.392 178.730 176.300 0.065 0.000 0.986 138 D CA 1.228 55.269 54.000 0.068 0.000 0.829 138 D CB -0.377 40.467 40.800 0.073 0.000 0.983 138 D HN 0.335 nan 8.370 nan 0.000 0.453 139 R N 0.435 120.974 120.500 0.065 0.000 2.119 139 R HA -0.145 4.194 4.340 -0.001 0.000 0.246 139 R C 2.321 178.651 176.300 0.050 0.000 1.146 139 R CA 1.027 57.155 56.100 0.047 0.000 0.962 139 R CB -0.599 29.693 30.300 -0.013 0.000 0.863 139 R HN 0.107 nan 8.270 nan 0.000 0.442 140 V N 1.415 121.364 119.914 0.059 0.000 2.220 140 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 140 V C 2.313 178.443 176.094 0.061 0.000 1.049 140 V CA 2.096 64.433 62.300 0.063 0.000 1.003 140 V CB -0.522 31.340 31.823 0.066 0.000 0.634 140 V HN 0.303 nan 8.190 nan 0.000 0.444 141 I N 0.020 120.626 120.570 0.060 0.000 2.185 141 I HA -0.364 3.805 4.170 -0.001 0.000 0.246 141 I C 2.636 178.787 176.117 0.057 0.000 1.088 141 I CA 2.267 63.604 61.300 0.061 0.000 1.347 141 I CB -0.588 37.444 38.000 0.053 0.000 1.041 141 I HN 0.414 nan 8.210 nan 0.000 0.415 142 K N 1.655 122.084 120.400 0.047 0.000 1.991 142 K HA -0.219 4.100 4.320 -0.001 0.000 0.212 142 K C 1.940 178.559 176.600 0.031 0.000 1.049 142 K CA 1.556 57.865 56.287 0.036 0.000 0.932 142 K CB -0.090 32.432 32.500 0.037 0.000 0.717 142 K HN 0.126 nan 8.250 nan 0.000 0.441 143 K N 0.867 121.291 120.400 0.039 0.000 2.585 143 K HA -0.085 4.234 4.320 -0.001 0.000 0.194 143 K C 1.894 178.512 176.600 0.031 0.000 1.037 143 K CA 0.592 56.898 56.287 0.031 0.000 0.964 143 K CB 0.027 32.556 32.500 0.047 0.000 0.787 143 K HN 0.313 nan 8.250 nan 0.000 0.488 144 L N -0.184 121.076 121.223 0.062 0.000 2.262 144 L HA -0.057 4.282 4.340 -0.001 0.000 0.197 144 L C 2.225 179.165 176.870 0.117 0.000 1.073 144 L CA 0.518 55.434 54.840 0.126 0.000 0.800 144 L CB -0.284 41.875 42.059 0.166 0.000 0.987 144 L HN 0.061 nan 8.230 nan 0.000 0.470 145 D N 0.682 121.123 120.400 0.068 0.000 2.190 145 D HA -0.236 4.403 4.640 -0.001 0.000 0.200 145 D C 1.778 178.038 176.300 -0.067 0.000 0.992 145 D CA 1.308 55.303 54.000 -0.008 0.000 0.854 145 D CB 0.196 40.991 40.800 -0.008 0.000 0.936 145 D HN 0.364 nan 8.370 nan 0.000 0.462 146 E N -0.808 119.358 120.200 -0.058 0.000 2.209 146 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 146 E C 1.781 178.286 176.600 -0.158 0.000 0.993 146 E CA 0.783 57.130 56.400 -0.088 0.000 0.819 146 E CB 0.044 29.705 29.700 -0.064 0.000 0.745 146 E HN 0.496 nan 8.360 nan 0.000 0.477 147 M N -0.503 118.960 119.600 -0.228 0.000 2.306 147 M HA 0.116 4.596 4.480 -0.001 0.000 0.292 147 M C 2.183 178.257 176.300 -0.376 0.000 1.018 147 M CA -0.059 54.982 55.300 -0.432 0.000 1.007 147 M CB 0.197 32.243 32.600 -0.925 0.000 1.510 147 M HN 0.174 nan 8.290 nan 0.000 0.537 148 C N 0.240 119.369 119.300 -0.285 0.000 2.421 148 C HA -0.115 4.344 4.460 -0.001 0.000 0.296 148 C C 1.285 176.055 174.990 -0.366 0.000 1.470 148 C CA 1.053 59.729 59.018 -0.570 0.000 1.779 148 C CB -1.432 25.749 27.740 -0.931 0.000 1.715 148 C HN 0.486 nan 8.230 nan 0.000 0.564 149 D N 0.798 121.053 120.400 -0.241 0.000 2.197 149 D HA 0.145 4.784 4.640 -0.001 0.000 0.212 149 D C 0.988 177.223 176.300 -0.110 0.000 0.963 149 D CA 0.006 53.912 54.000 -0.158 0.000 0.864 149 D CB -0.277 40.447 40.800 -0.127 0.000 1.009 149 D HN 0.452 nan 8.370 nan 0.000 0.479 150 L N 1.834 122.973 121.223 -0.140 0.000 2.613 150 L HA -0.117 4.222 4.340 -0.001 0.000 0.304 150 L C 0.563 177.450 176.870 0.028 0.000 1.266 150 L CA 0.334 55.121 54.840 -0.089 0.000 0.868 150 L CB 0.550 42.478 42.059 -0.218 0.000 1.111 150 L HN 0.168 nan 8.230 nan 0.000 0.515 151 D N 0.792 121.235 120.400 0.073 0.000 2.350 151 D HA 0.065 4.704 4.640 -0.001 0.000 0.213 151 D C 0.267 176.655 176.300 0.147 0.000 1.031 151 D CA 0.484 54.542 54.000 0.096 0.000 0.861 151 D CB 0.601 41.438 40.800 0.061 0.000 0.926 151 D HN 0.355 nan 8.370 nan 0.000 0.520 152 S N -0.350 115.492 115.700 0.236 0.000 2.756 152 S HA 0.429 4.898 4.470 -0.001 0.000 0.295 152 S C -1.934 172.848 174.600 0.303 0.000 0.945 152 S CA -1.016 57.306 58.200 0.203 0.000 0.838 152 S CB -0.119 63.132 63.200 0.085 0.000 1.042 152 S HN 0.207 nan 8.310 nan 0.000 0.467 153 F N 0.820 120.669 119.950 -0.170 0.000 2.829 153 F HA 0.756 5.282 4.527 -0.001 0.000 0.319 153 F C -2.495 173.086 175.800 -0.366 0.000 1.153 153 F CA -1.343 56.577 58.000 -0.134 0.000 0.912 153 F CB 0.484 39.444 39.000 -0.066 0.000 1.292 153 F HN 0.427 nan 8.300 nan 0.000 0.447 154 F N 3.037 122.906 119.950 -0.134 0.000 2.460 154 F HA 0.535 5.061 4.527 -0.002 0.000 0.341 154 F C -0.661 174.866 175.800 -0.455 0.000 1.130 154 F CA -0.696 57.036 58.000 -0.446 0.000 0.962 154 F CB 1.967 40.676 39.000 -0.485 0.000 1.171 154 F HN 0.561 nan 8.300 nan 0.000 0.436 155 L N 5.144 126.170 121.223 -0.327 0.000 2.262 155 L HA 0.456 4.795 4.340 -0.001 0.000 0.288 155 L C -1.205 175.516 176.870 -0.248 0.000 1.035 155 L CA -0.486 54.249 54.840 -0.174 0.000 0.820 155 L CB 0.542 42.590 42.059 -0.018 0.000 1.204 155 L HN 0.508 nan 8.230 nan 0.000 0.424 156 F N 5.524 125.576 119.950 0.170 0.000 2.371 156 F HA 0.234 4.761 4.527 -0.002 0.000 0.363 156 F C 0.596 176.568 175.800 0.286 0.000 1.122 156 F CA -0.363 57.824 58.000 0.312 0.000 1.129 156 F CB 1.044 40.407 39.000 0.604 0.000 1.173 156 F HN 0.325 nan 8.300 nan 0.000 0.489 157 L N 6.123 127.539 121.223 0.323 0.000 2.536 157 L HA 0.175 4.514 4.340 -0.001 0.000 0.242 157 L C 0.054 176.998 176.870 0.124 0.000 1.280 157 L CA -0.561 54.365 54.840 0.144 0.000 1.221 157 L CB -0.876 41.220 42.059 0.062 0.000 1.449 157 L HN 0.674 nan 8.230 nan 0.000 0.405 158 H N -0.393 118.798 119.070 0.202 0.000 2.607 158 H HA 0.760 5.315 4.556 -0.002 0.000 0.367 158 H C 0.242 175.599 175.328 0.048 0.000 1.181 158 H CA 0.040 56.153 56.048 0.108 0.000 1.402 158 H CB 1.181 30.978 29.762 0.057 0.000 1.474 158 H HN 0.339 nan 8.280 nan 0.000 0.596 159 G N 0.476 109.340 108.800 0.107 0.000 2.340 159 G HA2 0.216 4.175 3.960 -0.001 0.000 0.299 159 G HA3 0.216 4.175 3.960 -0.001 0.000 0.299 159 G C -1.257 173.674 174.900 0.052 0.000 1.291 159 G CA -1.302 43.820 45.100 0.037 0.000 0.841 159 G HN 0.790 nan 8.290 nan 0.000 0.500 160 R N -0.237 120.280 120.500 0.028 0.000 2.774 160 R HA 0.575 4.914 4.340 -0.001 0.000 0.269 160 R C 0.733 177.053 176.300 0.033 0.000 1.068 160 R CA 0.321 56.438 56.100 0.028 0.000 1.180 160 R CB 0.464 30.780 30.300 0.027 0.000 1.077 160 R HN 0.871 nan 8.270 nan 0.000 0.513 161 A N 0.880 123.719 122.820 0.031 0.000 2.401 161 A HA 0.396 4.715 4.320 -0.001 0.000 0.259 161 A C 1.082 178.742 177.584 0.128 0.000 1.103 161 A CA 0.322 52.401 52.037 0.069 0.000 0.789 161 A CB 0.153 19.159 19.000 0.010 0.000 1.035 161 A HN 0.983 nan 8.150 nan 0.000 0.491 162 G N 1.279 110.223 108.800 0.240 0.000 2.205 162 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.269 162 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.269 162 G C 1.165 176.069 174.900 0.007 0.000 0.977 162 G CA 1.566 46.795 45.100 0.216 0.000 0.652 162 G HN 2.157 nan 8.290 nan 0.000 0.539 163 S N -0.081 115.627 115.700 0.012 0.000 2.720 163 S HA 0.419 4.888 4.470 -0.001 0.000 0.222 163 S C 1.708 176.265 174.600 -0.072 0.000 0.958 163 S CA 1.018 59.208 58.200 -0.016 0.000 0.943 163 S CB -0.292 62.904 63.200 -0.006 0.000 0.779 163 S HN 2.318 nan 8.310 nan 0.000 0.526 164 G N 1.392 110.128 108.800 -0.107 0.000 2.303 164 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.260 164 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.260 164 G C 0.405 175.249 174.900 -0.092 0.000 1.106 164 G CA 0.287 45.312 45.100 -0.124 0.000 0.900 164 G HN 0.592 nan 8.290 nan 0.000 0.495 165 K N -0.062 120.299 120.400 -0.064 0.000 2.098 165 K HA 0.095 4.414 4.320 -0.001 0.000 0.203 165 K C 2.567 179.167 176.600 0.000 0.000 1.051 165 K CA 1.296 57.558 56.287 -0.042 0.000 0.957 165 K CB -0.105 32.384 32.500 -0.019 0.000 0.738 165 K HN 0.284 nan 8.250 nan 0.000 0.447 166 S N 1.315 117.030 115.700 0.024 0.000 2.383 166 S HA -0.090 4.379 4.470 -0.001 0.000 0.227 166 S C 2.235 176.937 174.600 0.171 0.000 1.026 166 S CA 1.278 59.546 58.200 0.113 0.000 0.981 166 S CB -0.336 62.957 63.200 0.156 0.000 0.818 166 S HN 0.066 nan 8.310 nan 0.000 0.472 167 V N 2.246 122.204 119.914 0.073 0.000 2.392 167 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 167 V C 2.043 178.181 176.094 0.074 0.000 1.059 167 V CA 1.422 63.757 62.300 0.060 0.000 1.051 167 V CB -0.997 30.829 31.823 0.004 0.000 0.658 167 V HN 0.454 nan 8.190 nan 0.000 0.455 168 I N 0.662 121.268 120.570 0.061 0.000 2.361 168 I HA -0.212 3.957 4.170 -0.001 0.000 0.251 168 I C 2.713 178.891 176.117 0.102 0.000 1.133 168 I CA 1.371 62.710 61.300 0.064 0.000 1.413 168 I CB -0.551 37.470 38.000 0.035 0.000 1.073 168 I HN 0.341 nan 8.210 nan 0.000 0.424 169 A N -0.054 122.862 122.820 0.161 0.000 1.855 169 A HA -0.227 4.092 4.320 -0.001 0.000 0.215 169 A C 2.494 180.233 177.584 0.258 0.000 1.191 169 A CA 2.014 54.200 52.037 0.248 0.000 0.613 169 A CB -0.881 18.317 19.000 0.330 0.000 0.829 169 A HN 0.359 nan 8.150 nan 0.000 0.442 170 S N -0.675 115.159 115.700 0.224 0.000 2.402 170 S HA -0.257 4.212 4.470 -0.001 0.000 0.233 170 S C 2.103 176.698 174.600 -0.008 0.000 1.030 170 S CA 1.975 60.158 58.200 -0.028 0.000 1.003 170 S CB -0.360 62.775 63.200 -0.109 0.000 0.813 170 S HN 0.692 nan 8.310 nan 0.000 0.477 171 Q N 0.006 119.827 119.800 0.036 0.000 2.089 171 Q HA 0.198 4.537 4.340 -0.001 0.000 0.195 171 Q C 2.497 178.517 176.000 0.033 0.000 0.963 171 Q CA 1.131 56.950 55.803 0.026 0.000 0.834 171 Q CB -0.332 28.427 28.738 0.035 0.000 0.906 171 Q HN 0.622 nan 8.270 nan 0.000 0.452 172 A N 0.561 123.413 122.820 0.054 0.000 2.172 172 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 172 A C 1.824 179.438 177.584 0.049 0.000 1.154 172 A CA 0.765 52.835 52.037 0.054 0.000 0.701 172 A CB -0.223 18.816 19.000 0.065 0.000 0.789 172 A HN 0.247 nan 8.150 nan 0.000 0.465 173 L N -1.700 119.552 121.223 0.048 0.000 2.408 173 L HA 0.055 4.394 4.340 -0.001 0.000 0.215 173 L C 2.186 179.058 176.870 0.005 0.000 1.081 173 L CA 0.838 55.697 54.840 0.032 0.000 0.840 173 L CB 0.028 42.115 42.059 0.046 0.000 1.002 173 L HN 0.294 nan 8.230 nan 0.000 0.468 174 S N -0.535 115.161 115.700 -0.007 0.000 2.470 174 S HA -0.048 4.421 4.470 -0.001 0.000 0.222 174 S C 1.761 176.360 174.600 -0.002 0.000 1.024 174 S CA 0.323 58.512 58.200 -0.019 0.000 0.931 174 S CB 0.392 63.567 63.200 -0.041 0.000 0.791 174 S HN 0.283 nan 8.310 nan 0.000 0.513 175 K N 1.614 122.018 120.400 0.007 0.000 1.991 175 K HA 0.073 4.392 4.320 -0.001 0.000 0.207 175 K C 0.945 177.556 176.600 0.019 0.000 1.045 175 K CA 0.985 57.279 56.287 0.011 0.000 0.937 175 K CB -0.231 32.276 32.500 0.012 0.000 0.720 175 K HN 0.208 nan 8.250 nan 0.000 0.438 176 S N 1.329 117.044 115.700 0.025 0.000 2.465 176 S HA 0.091 4.561 4.470 -0.001 0.000 0.279 176 S C -0.392 174.228 174.600 0.034 0.000 1.201 176 S CA -0.774 57.444 58.200 0.031 0.000 1.053 176 S CB 1.044 64.264 63.200 0.034 0.000 0.953 176 S HN 0.221 nan 8.310 nan 0.000 0.488 177 D N 3.854 124.280 120.400 0.044 0.000 2.324 177 D HA 0.066 4.705 4.640 -0.001 0.000 0.235 177 D C 1.355 177.677 176.300 0.037 0.000 1.095 177 D CA 0.440 54.472 54.000 0.053 0.000 0.871 177 D CB 0.261 41.127 40.800 0.111 0.000 0.906 177 D HN 0.613 nan 8.370 nan 0.000 0.522 178 Q N -0.266 119.554 119.800 0.032 0.000 2.178 178 Q HA 0.002 4.341 4.340 -0.001 0.000 0.195 178 Q C 1.639 177.653 176.000 0.023 0.000 0.960 178 Q CA 0.029 55.844 55.803 0.020 0.000 0.843 178 Q CB 0.203 28.954 28.738 0.020 0.000 0.927 178 Q HN 0.133 nan 8.270 nan 0.000 0.487 179 L N 1.027 122.286 121.223 0.060 0.000 2.051 179 L HA -0.170 4.169 4.340 -0.001 0.000 0.214 179 L C 1.029 177.977 176.870 0.130 0.000 1.076 179 L CA 1.530 56.453 54.840 0.138 0.000 0.758 179 L CB -0.587 41.541 42.059 0.115 0.000 0.890 179 L HN 0.198 nan 8.230 nan 0.000 0.433 180 I N -1.072 119.520 120.570 0.037 0.000 2.330 180 I HA 0.473 4.643 4.170 -0.001 0.000 0.289 180 I C 1.238 177.305 176.117 -0.084 0.000 1.001 180 I CA 0.510 61.802 61.300 -0.012 0.000 1.193 180 I CB 0.189 38.166 38.000 -0.037 0.000 1.345 180 I HN 0.350 nan 8.210 nan 0.000 0.461 181 G N 5.825 114.568 108.800 -0.095 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 0.616 175.446 174.900 -0.117 0.000 1.526 181 G CA 0.287 45.289 45.100 -0.163 0.000 1.097 181 G HN 0.399 nan 8.290 nan 0.000 0.596 182 I N 2.179 122.692 120.570 -0.095 0.000 2.186 182 I HA 0.104 4.273 4.170 -0.001 0.000 0.228 182 I C 2.491 178.540 176.117 -0.114 0.000 1.062 182 I CA 2.230 63.482 61.300 -0.079 0.000 1.347 182 I CB -0.965 37.007 38.000 -0.046 0.000 1.122 182 I HN 0.377 nan 8.210 nan 0.000 0.402 183 N N -0.632 117.993 118.700 -0.125 0.000 2.058 183 N HA -0.137 4.602 4.740 -0.001 0.000 0.191 183 N C -0.168 175.033 175.510 -0.514 0.000 1.037 183 N CA 1.372 54.237 53.050 -0.307 0.000 0.848 183 N CB -0.477 37.862 38.487 -0.247 0.000 1.021 183 N HN 0.329 nan 8.380 nan 0.000 0.422 184 Y N -0.711 119.551 120.300 -0.063 0.000 2.446 184 Y HA 0.260 4.810 4.550 -0.001 0.000 0.345 184 Y C 0.848 176.691 175.900 -0.095 0.000 0.984 184 Y CA -1.051 57.003 58.100 -0.076 0.000 1.058 184 Y CB 1.739 40.151 38.460 -0.080 0.000 1.220 184 Y HN -0.177 nan 8.280 nan 0.000 0.455 185 D N 0.568 120.995 120.400 0.046 0.000 2.120 185 D HA -0.026 4.614 4.640 -0.001 0.000 0.202 185 D C 0.256 176.531 176.300 -0.042 0.000 0.972 185 D CA 1.248 55.233 54.000 -0.025 0.000 0.837 185 D CB 0.398 41.176 40.800 -0.036 0.000 0.989 185 D HN 0.480 nan 8.370 nan 0.000 0.469 186 S N -1.042 114.626 115.700 -0.053 0.000 2.661 186 S HA 0.544 5.014 4.470 -0.001 0.000 0.285 186 S C -1.058 173.460 174.600 -0.138 0.000 1.138 186 S CA -0.991 57.158 58.200 -0.085 0.000 0.855 186 S CB 2.116 65.268 63.200 -0.081 0.000 1.136 186 S HN 0.041 nan 8.310 nan 0.000 0.484 187 I N 1.576 122.070 120.570 -0.126 0.000 2.619 187 I HA 0.631 4.800 4.170 -0.001 0.000 0.292 187 I C -1.749 174.316 176.117 -0.085 0.000 1.100 187 I CA -0.912 60.301 61.300 -0.145 0.000 1.043 187 I CB 1.983 39.933 38.000 -0.084 0.000 1.239 187 I HN 0.701 nan 8.210 nan 0.000 0.420 188 V N 7.462 127.325 119.914 -0.084 0.000 2.525 188 V HA 0.408 4.527 4.120 -0.001 0.000 0.299 188 V C -1.120 175.071 176.094 0.161 0.000 1.034 188 V CA -0.566 61.787 62.300 0.090 0.000 0.863 188 V CB 2.285 34.254 31.823 0.243 0.000 0.999 188 V HN 0.720 nan 8.190 nan 0.000 0.423 189 W N 7.446 128.722 121.300 -0.041 0.000 2.554 189 W HA 0.755 5.414 4.660 -0.002 0.000 0.324 189 W C -2.338 174.180 176.519 -0.002 0.000 1.018 189 W CA -1.149 56.163 57.345 -0.054 0.000 1.243 189 W CB 1.569 30.994 29.460 -0.059 0.000 1.345 189 W HN 0.440 nan 8.180 nan 0.000 0.441 190 L N 6.212 127.487 121.223 0.087 0.000 2.409 190 L HA 0.344 4.683 4.340 -0.001 0.000 0.272 190 L C 0.001 176.898 176.870 0.044 0.000 0.980 190 L CA -0.880 54.044 54.840 0.139 0.000 0.826 190 L CB 2.521 44.672 42.059 0.152 0.000 1.268 190 L HN 0.365 nan 8.230 nan 0.000 0.407 191 K N 1.889 122.341 120.400 0.087 0.000 2.258 191 K HA 0.088 4.407 4.320 -0.001 0.000 0.284 191 K C 0.193 176.815 176.600 0.037 0.000 1.051 191 K CA -0.337 55.979 56.287 0.048 0.000 0.923 191 K CB 1.275 33.837 32.500 0.103 0.000 1.046 191 K HN 0.523 nan 8.250 nan 0.000 0.474 192 D N 2.108 122.515 120.400 0.013 0.000 2.196 192 D HA -0.063 4.576 4.640 -0.001 0.000 0.228 192 D C -0.154 176.143 176.300 -0.005 0.000 1.028 192 D CA 1.725 55.712 54.000 -0.022 0.000 0.924 192 D CB 0.024 40.786 40.800 -0.063 0.000 1.025 192 D HN 0.693 nan 8.370 nan 0.000 0.438 193 S N -1.320 114.384 115.700 0.007 0.000 3.380 193 S HA -0.140 4.329 4.470 -0.001 0.000 0.300 193 S C 0.792 175.391 174.600 -0.001 0.000 1.255 193 S CA 0.550 58.761 58.200 0.020 0.000 0.963 193 S CB -2.355 60.867 63.200 0.036 0.000 1.106 193 S HN 0.662 nan 8.310 nan 0.000 0.629 194 G N 0.815 109.598 108.800 -0.029 0.000 2.239 194 G HA2 0.297 4.257 3.960 -0.001 0.000 0.278 194 G HA3 0.297 4.257 3.960 -0.001 0.000 0.278 194 G C 0.639 175.515 174.900 -0.040 0.000 1.071 194 G CA 0.765 45.834 45.100 -0.051 0.000 1.198 194 G HN 0.445 nan 8.290 nan 0.000 0.410 195 T N 2.502 117.039 114.554 -0.028 0.000 3.053 195 T HA 0.374 4.723 4.350 -0.001 0.000 0.236 195 T C 2.042 176.722 174.700 -0.033 0.000 0.996 195 T CA 0.740 62.825 62.100 -0.024 0.000 1.185 195 T CB -0.124 68.739 68.868 -0.009 0.000 0.892 195 T HN 0.785 nan 8.240 nan 0.000 0.432 196 A N 2.177 124.979 122.820 -0.030 0.000 2.482 196 A HA 0.227 4.546 4.320 -0.001 0.000 0.249 196 A C -1.591 175.963 177.584 -0.049 0.000 1.114 196 A CA -0.509 51.509 52.037 -0.032 0.000 0.797 196 A CB -0.357 18.628 19.000 -0.024 0.000 1.067 196 A HN 0.245 nan 8.150 nan 0.000 0.514 197 P HA 0.115 nan 4.420 nan 0.000 0.255 197 P C 0.281 177.539 177.300 -0.071 0.000 1.248 197 P CA 0.705 63.769 63.100 -0.060 0.000 0.807 197 P CB 0.248 31.922 31.700 -0.044 0.000 1.150 198 K N -1.902 118.463 120.400 -0.058 0.000 2.474 198 K HA 0.272 4.591 4.320 -0.001 0.000 0.204 198 K C 1.568 178.165 176.600 -0.006 0.000 1.220 198 K CA 0.157 56.420 56.287 -0.039 0.000 0.966 198 K CB -0.203 32.276 32.500 -0.035 0.000 1.049 198 K HN -0.135 nan 8.250 nan 0.000 0.554 199 S N 1.693 117.371 115.700 -0.037 0.000 2.383 199 S HA -0.103 4.366 4.470 -0.001 0.000 0.229 199 S C 1.849 176.388 174.600 -0.101 0.000 1.030 199 S CA 1.718 59.896 58.200 -0.038 0.000 1.002 199 S CB -0.276 62.898 63.200 -0.043 0.000 0.829 199 S HN 0.312 nan 8.310 nan 0.000 0.467 200 T N 1.229 115.657 114.554 -0.211 0.000 2.951 200 T HA 0.060 4.409 4.350 -0.001 0.000 0.268 200 T C 1.310 175.538 174.700 -0.787 0.000 1.073 200 T CA 0.719 62.552 62.100 -0.446 0.000 1.134 200 T CB -0.243 68.302 68.868 -0.539 0.000 0.884 200 T HN 0.525 nan 8.240 nan 0.000 0.479 201 F N 1.860 121.372 119.950 -0.730 0.000 2.118 201 F HA 0.005 4.531 4.527 -0.001 0.000 0.293 201 F C 2.064 177.753 175.800 -0.185 0.000 1.102 201 F CA 0.982 58.581 58.000 -0.668 0.000 1.247 201 F CB -0.131 38.747 39.000 -0.203 0.000 1.017 201 F HN -0.034 nan 8.300 nan 0.000 0.475 202 D N 1.130 121.656 120.400 0.210 0.000 2.182 202 D HA -0.209 4.430 4.640 -0.001 0.000 0.201 202 D C 2.359 178.666 176.300 0.012 0.000 0.986 202 D CA 1.298 55.396 54.000 0.164 0.000 0.847 202 D CB -0.430 40.491 40.800 0.201 0.000 0.942 202 D HN 0.430 nan 8.370 nan 0.000 0.467 203 L N -0.086 121.135 121.223 -0.002 0.000 1.956 203 L HA -0.233 4.106 4.340 -0.001 0.000 0.216 203 L C 1.788 178.660 176.870 0.004 0.000 1.073 203 L CA 1.468 56.311 54.840 0.006 0.000 0.762 203 L CB -0.396 41.663 42.059 0.000 0.000 0.889 203 L HN -0.104 nan 8.230 nan 0.000 0.433 204 F N -0.268 119.548 119.950 -0.223 0.000 2.788 204 F HA -0.079 4.447 4.527 -0.002 0.000 0.300 204 F C 2.217 177.901 175.800 -0.192 0.000 1.229 204 F CA 0.765 58.690 58.000 -0.125 0.000 1.446 204 F CB -1.176 37.882 39.000 0.097 0.000 1.118 204 F HN 0.095 nan 8.300 nan 0.000 0.579 205 T N -1.263 113.236 114.554 -0.091 0.000 3.010 205 T HA -0.061 4.288 4.350 -0.001 0.000 0.252 205 T C 1.386 176.103 174.700 0.028 0.000 1.047 205 T CA 1.019 63.073 62.100 -0.076 0.000 1.140 205 T CB 0.018 68.875 68.868 -0.018 0.000 0.885 205 T HN 0.083 nan 8.240 nan 0.000 0.464 206 D N 0.514 120.925 120.400 0.018 0.000 2.354 206 D HA 0.224 4.863 4.640 -0.001 0.000 0.209 206 D C 1.780 178.087 176.300 0.011 0.000 1.015 206 D CA 0.096 54.116 54.000 0.033 0.000 0.867 206 D CB 0.101 40.919 40.800 0.031 0.000 0.933 206 D HN 0.315 nan 8.370 nan 0.000 0.520 207 I N 0.787 121.332 120.570 -0.041 0.000 2.286 207 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 207 I C 2.108 178.218 176.117 -0.011 0.000 1.104 207 I CA 0.510 61.765 61.300 -0.075 0.000 1.397 207 I CB 0.263 38.099 38.000 -0.273 0.000 1.072 207 I HN 0.011 nan 8.210 nan 0.000 0.417 208 L N 0.703 121.929 121.223 0.005 0.000 2.187 208 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 208 L C 2.102 179.012 176.870 0.067 0.000 1.100 208 L CA 1.964 56.828 54.840 0.041 0.000 0.765 208 L CB -0.450 41.635 42.059 0.044 0.000 0.904 208 L HN 0.316 nan 8.230 nan 0.000 0.437 209 L N -1.918 119.351 121.223 0.076 0.000 2.307 209 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 209 L C 2.520 179.428 176.870 0.062 0.000 1.099 209 L CA 0.044 54.938 54.840 0.090 0.000 0.816 209 L CB -0.504 41.620 42.059 0.108 0.000 0.952 209 L HN 0.147 nan 8.230 nan 0.000 0.455 210 M N 0.394 120.026 119.600 0.054 0.000 2.202 210 M HA -0.140 4.339 4.480 -0.001 0.000 0.262 210 M C 2.185 178.525 176.300 0.067 0.000 1.063 210 M CA 1.794 57.129 55.300 0.058 0.000 1.097 210 M CB -0.689 31.953 32.600 0.070 0.000 1.382 210 M HN 0.254 nan 8.290 nan 0.000 0.413 211 L N -0.544 120.724 121.223 0.075 0.000 2.013 211 L HA -0.099 4.241 4.340 -0.001 0.000 0.204 211 L C 0.951 177.857 176.870 0.059 0.000 1.081 211 L CA 0.428 55.314 54.840 0.076 0.000 0.751 211 L CB -0.805 41.306 42.059 0.088 0.000 0.901 211 L HN 0.019 nan 8.230 nan 0.000 0.440 212 K N 2.687 123.125 120.400 0.063 0.000 2.321 212 K HA -0.043 4.276 4.320 -0.001 0.000 0.266 212 K C 0.600 177.232 176.600 0.053 0.000 1.215 212 K CA 0.245 56.568 56.287 0.061 0.000 1.225 212 K CB -0.320 32.227 32.500 0.079 0.000 0.827 212 K HN 0.406 nan 8.250 nan 0.000 0.478 213 S N 1.958 117.683 115.700 0.042 0.000 2.562 213 S HA 0.042 4.511 4.470 -0.001 0.000 0.256 213 S C 1.129 175.749 174.600 0.034 0.000 1.248 213 S CA -0.324 57.895 58.200 0.032 0.000 0.988 213 S CB 0.347 63.562 63.200 0.024 0.000 1.035 213 S HN 0.565 nan 8.310 nan 0.000 0.548 214 E N 0.487 120.703 120.200 0.025 0.000 2.393 214 E HA -0.128 4.221 4.350 -0.001 0.000 0.201 214 E C -0.256 176.363 176.600 0.032 0.000 1.025 214 E CA 0.717 57.133 56.400 0.025 0.000 0.856 214 E CB -0.452 29.259 29.700 0.018 0.000 0.771 214 E HN 0.481 nan 8.360 nan 0.000 0.526 215 D N 2.174 122.594 120.400 0.034 0.000 2.606 215 D HA -0.045 4.594 4.640 -0.001 0.000 0.234 215 D C -0.854 175.476 176.300 0.050 0.000 1.140 215 D CA 0.639 54.661 54.000 0.037 0.000 1.182 215 D CB -0.575 40.246 40.800 0.034 0.000 1.130 215 D HN 0.021 nan 8.370 nan 0.000 0.485 216 D N 1.050 121.482 120.400 0.053 0.000 3.061 216 D HA -0.178 4.461 4.640 -0.001 0.000 0.252 216 D C 1.033 177.395 176.300 0.104 0.000 1.080 216 D CA 0.202 54.245 54.000 0.071 0.000 0.871 216 D CB -0.892 39.947 40.800 0.065 0.000 1.018 216 D HN 0.441 nan 8.370 nan 0.000 0.425 217 L N -0.005 121.273 121.223 0.090 0.000 2.509 217 L HA 0.011 4.350 4.340 -0.001 0.000 0.222 217 L C 2.554 179.495 176.870 0.119 0.000 1.123 217 L CA 0.246 55.149 54.840 0.104 0.000 0.856 217 L CB -0.223 41.856 42.059 0.034 0.000 0.985 217 L HN 0.311 nan 8.230 nan 0.000 0.456 218 L N -2.248 119.034 121.223 0.098 0.000 2.023 218 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 218 L C 1.926 178.880 176.870 0.139 0.000 1.073 218 L CA 1.756 56.655 54.840 0.098 0.000 0.745 218 L CB -0.955 41.142 42.059 0.064 0.000 0.900 218 L HN 0.123 nan 8.230 nan 0.000 0.435 219 N N -0.188 118.583 118.700 0.119 0.000 2.571 219 N HA -0.098 4.641 4.740 -0.001 0.000 0.189 219 N C 0.400 175.984 175.510 0.123 0.000 1.154 219 N CA -0.362 52.748 53.050 0.099 0.000 0.907 219 N CB -0.091 38.434 38.487 0.063 0.000 0.977 219 N HN 0.295 nan 8.380 nan 0.000 0.449 220 F N 2.355 122.323 119.950 0.030 0.000 2.374 220 F HA -0.003 4.523 4.527 -0.002 0.000 0.405 220 F C -2.107 173.718 175.800 0.041 0.000 0.976 220 F CA -1.497 56.525 58.000 0.036 0.000 1.037 220 F CB 0.306 39.328 39.000 0.035 0.000 0.888 220 F HN 0.104 nan 8.300 nan 0.000 0.519 221 P HA 0.078 nan 4.420 nan 0.000 0.333 221 P C -0.556 176.348 177.300 -0.660 0.000 1.315 221 P CA -0.543 62.316 63.100 -0.401 0.000 0.746 221 P CB 0.537 32.111 31.700 -0.210 0.000 1.575 222 S N -0.343 115.179 115.700 -0.297 0.000 3.864 222 S HA 0.046 4.515 4.470 -0.001 0.000 0.202 222 S C 1.235 175.742 174.600 -0.156 0.000 1.402 222 S CA -0.356 57.736 58.200 -0.179 0.000 1.072 222 S CB -1.857 61.328 63.200 -0.025 0.000 1.383 222 S HN 0.119 nan 8.310 nan 0.000 0.458 223 V N 2.385 122.080 119.914 -0.364 0.000 2.324 223 V HA -0.194 3.925 4.120 -0.001 0.000 0.250 223 V C 2.908 179.054 176.094 0.087 0.000 1.060 223 V CA 2.227 64.447 62.300 -0.133 0.000 1.042 223 V CB -0.728 31.027 31.823 -0.112 0.000 0.650 223 V HN 0.819 nan 8.190 nan 0.000 0.450 224 E N 1.292 121.570 120.200 0.129 0.000 2.169 224 E HA -0.297 4.052 4.350 -0.001 0.000 0.202 224 E C 1.130 177.835 176.600 0.176 0.000 1.016 224 E CA 1.973 58.497 56.400 0.207 0.000 0.817 224 E CB -0.351 29.460 29.700 0.185 0.000 0.736 224 E HN 0.821 nan 8.360 nan 0.000 0.462 225 H N 0.162 119.265 119.070 0.055 0.000 2.680 225 H HA 0.499 5.054 4.556 -0.001 0.000 0.260 225 H C -1.277 174.079 175.328 0.047 0.000 1.328 225 H CA -0.511 55.553 56.048 0.026 0.000 1.269 225 H CB 0.180 29.943 29.762 0.001 0.000 1.446 225 H HN -0.124 nan 8.280 nan 0.000 0.527 226 V N 3.266 123.013 119.914 -0.278 0.000 3.087 226 V HA 0.289 4.408 4.120 -0.001 0.000 0.306 226 V C 0.060 176.076 176.094 -0.129 0.000 1.187 226 V CA -0.982 61.217 62.300 -0.168 0.000 0.999 226 V CB 2.429 34.294 31.823 0.071 0.000 1.049 226 V HN 0.779 nan 8.190 nan 0.000 0.431 227 T N 0.553 115.056 114.554 -0.086 0.000 2.868 227 T HA 0.164 4.514 4.350 -0.001 0.000 0.292 227 T C 1.344 176.129 174.700 0.141 0.000 1.028 227 T CA -0.008 62.077 62.100 -0.026 0.000 1.059 227 T CB 1.160 70.006 68.868 -0.037 0.000 0.991 227 T HN 0.640 nan 8.240 nan 0.000 0.531 228 S N 0.529 116.328 115.700 0.165 0.000 2.370 228 S HA -0.158 4.312 4.470 -0.001 0.000 0.226 228 S C 2.359 176.964 174.600 0.009 0.000 1.033 228 S CA 1.545 59.902 58.200 0.263 0.000 1.011 228 S CB -0.673 62.647 63.200 0.199 0.000 0.852 228 S HN 0.698 nan 8.310 nan 0.000 0.457 229 V N -0.672 119.223 119.914 -0.032 0.000 2.379 229 V HA -0.039 4.080 4.120 -0.001 0.000 0.245 229 V C 2.080 178.140 176.094 -0.058 0.000 1.044 229 V CA 1.404 63.654 62.300 -0.084 0.000 1.036 229 V CB -1.175 30.610 31.823 -0.063 0.000 0.664 229 V HN 0.325 nan 8.190 nan 0.000 0.453 230 V N 0.716 120.619 119.914 -0.017 0.000 2.261 230 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 230 V C 2.617 178.711 176.094 0.000 0.000 1.047 230 V CA 2.554 64.850 62.300 -0.007 0.000 1.015 230 V CB -0.665 31.157 31.823 -0.000 0.000 0.642 230 V HN 0.611 nan 8.190 nan 0.000 0.446 231 L N -0.206 121.037 121.223 0.033 0.000 2.013 231 L HA -0.290 4.050 4.340 -0.001 0.000 0.212 231 L C 2.624 179.481 176.870 -0.022 0.000 1.073 231 L CA 2.062 56.912 54.840 0.017 0.000 0.753 231 L CB -0.388 41.681 42.059 0.016 0.000 0.890 231 L HN 0.279 nan 8.230 nan 0.000 0.432 232 K N -0.485 119.864 120.400 -0.086 0.000 1.991 232 K HA -0.258 4.061 4.320 -0.001 0.000 0.212 232 K C 2.258 178.816 176.600 -0.070 0.000 1.049 232 K CA 1.842 58.045 56.287 -0.139 0.000 0.932 232 K CB -0.309 32.013 32.500 -0.295 0.000 0.717 232 K HN 0.160 nan 8.250 nan 0.000 0.441 233 R N 1.497 121.960 120.500 -0.062 0.000 2.148 233 R HA -0.006 4.333 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 -0.034 0.000 0.983 233 R CB -0.314 29.967 30.300 -0.032 0.000 0.874 233 R HN 0.243 nan 8.270 nan 0.000 0.451 234 M N -0.764 118.832 119.600 -0.007 0.000 2.562 234 M HA 0.062 4.541 4.480 -0.001 0.000 0.257 234 M C 1.070 177.382 176.300 0.018 0.000 1.099 234 M CA 1.124 56.429 55.300 0.007 0.000 1.099 234 M CB 0.196 32.801 32.600 0.009 0.000 1.427 234 M HN 0.212 nan 8.290 nan 0.000 0.489 235 I N -0.962 119.619 120.570 0.020 0.000 2.494 235 I HA -0.216 3.953 4.170 -0.001 0.000 0.250 235 I C 2.170 178.312 176.117 0.042 0.000 1.112 235 I CA 0.382 61.705 61.300 0.038 0.000 1.438 235 I CB -0.326 37.706 38.000 0.052 0.000 1.111 235 I HN 0.370 nan 8.210 nan 0.000 0.431 236 C N 1.114 120.431 119.300 0.028 0.000 2.391 236 C HA -0.203 4.256 4.460 -0.001 0.000 0.276 236 C C 2.518 177.525 174.990 0.028 0.000 1.217 236 C CA 1.009 60.044 59.018 0.028 0.000 1.766 236 C CB -1.574 26.173 27.740 0.012 0.000 2.046 236 C HN 0.552 nan 8.230 nan 0.000 0.475 237 N N 1.405 120.119 118.700 0.022 0.000 1.997 237 N HA -0.116 4.623 4.740 -0.001 0.000 0.198 237 N C 1.924 177.453 175.510 0.031 0.000 1.070 237 N CA 2.009 55.072 53.050 0.022 0.000 0.864 237 N CB -1.027 37.471 38.487 0.019 0.000 1.066 237 N HN 0.458 nan 8.380 nan 0.000 0.425 238 A N 0.725 123.567 122.820 0.036 0.000 2.214 238 A HA -0.153 4.167 4.320 -0.001 0.000 0.221 238 A C 2.152 179.768 177.584 0.053 0.000 1.167 238 A CA 1.081 53.144 52.037 0.044 0.000 0.670 238 A CB -0.806 18.224 19.000 0.051 0.000 0.797 238 A HN 0.339 nan 8.150 nan 0.000 0.477 239 L N -0.323 120.934 121.223 0.056 0.000 2.341 239 L HA -0.055 4.284 4.340 -0.001 0.000 0.214 239 L C 2.465 179.361 176.870 0.044 0.000 1.115 239 L CA 0.950 55.829 54.840 0.065 0.000 0.820 239 L CB -0.494 41.612 42.059 0.079 0.000 0.944 239 L HN 0.716 nan 8.230 nan 0.000 0.452 240 I N -1.600 118.990 120.570 0.034 0.000 2.185 240 I HA -0.330 3.839 4.170 -0.001 0.000 0.246 240 I C 1.731 177.859 176.117 0.020 0.000 1.088 240 I CA 1.905 63.219 61.300 0.024 0.000 1.347 240 I CB -0.551 37.461 38.000 0.019 0.000 1.041 240 I HN 0.189 nan 8.210 nan 0.000 0.415 241 D N 1.101 121.514 120.400 0.022 0.000 2.178 241 D HA -0.065 4.574 4.640 -0.001 0.000 0.202 241 D C 1.174 177.479 176.300 0.010 0.000 0.974 241 D CA 1.078 55.088 54.000 0.016 0.000 0.841 241 D CB -0.230 40.582 40.800 0.020 0.000 0.953 241 D HN 0.474 nan 8.370 nan 0.000 0.478 242 R N 1.140 121.649 120.500 0.015 0.000 3.463 242 R HA 0.285 4.624 4.340 -0.001 0.000 0.303 242 R C -2.475 173.818 176.300 -0.011 0.000 1.370 242 R CA -1.373 54.725 56.100 -0.003 0.000 1.524 242 R CB 0.996 31.297 30.300 0.002 0.000 1.389 242 R HN 0.171 nan 8.270 nan 0.000 0.640 243 P HA 0.096 nan 4.420 nan 0.000 0.276 243 P C -0.392 176.900 177.300 -0.012 0.000 1.244 243 P CA -0.520 62.578 63.100 -0.004 0.000 0.801 243 P CB 0.487 32.187 31.700 -0.001 0.000 1.006 244 N N -0.767 117.935 118.700 0.004 0.000 2.666 244 N HA -0.136 4.604 4.740 -0.001 0.000 0.274 244 N C -0.781 174.745 175.510 0.027 0.000 1.043 244 N CA 0.817 53.890 53.050 0.040 0.000 0.782 244 N CB -0.878 37.606 38.487 -0.005 0.000 0.912 244 N HN 0.418 nan 8.380 nan 0.000 0.556 245 T N 1.337 115.844 114.554 -0.079 0.000 2.829 245 T HA 0.523 4.872 4.350 -0.001 0.000 0.280 245 T C -0.108 174.262 174.700 -0.550 0.000 0.999 245 T CA -0.581 61.353 62.100 -0.277 0.000 0.983 245 T CB 2.217 70.870 68.868 -0.358 0.000 0.968 245 T HN 0.240 nan 8.240 nan 0.000 0.446 246 L N 3.760 124.604 121.223 -0.631 0.000 2.307 246 L HA 0.707 5.046 4.340 -0.001 0.000 0.284 246 L C -1.595 174.762 176.870 -0.856 0.000 1.023 246 L CA -0.453 53.945 54.840 -0.737 0.000 0.810 246 L CB 0.345 42.021 42.059 -0.638 0.000 1.231 246 L HN 0.550 nan 8.230 nan 0.000 0.423 247 F N 4.581 124.234 119.950 -0.496 0.000 2.443 247 F HA 0.633 5.160 4.527 -0.001 0.000 0.335 247 F C -0.068 175.267 175.800 -0.774 0.000 1.104 247 F CA -0.967 56.623 58.000 -0.682 0.000 1.013 247 F CB 1.806 40.213 39.000 -0.989 0.000 1.136 247 F HN 0.218 nan 8.300 nan 0.000 0.470 248 V N 2.097 121.717 119.914 -0.490 0.000 2.417 248 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 248 V C -0.645 175.019 176.094 -0.717 0.000 1.024 248 V CA -0.933 61.009 62.300 -0.598 0.000 0.861 248 V CB 1.386 32.854 31.823 -0.591 0.000 0.985 248 V HN 0.661 nan 8.190 nan 0.000 0.436 249 F N 2.070 121.790 119.950 -0.382 0.000 2.334 249 F HA 0.319 4.845 4.527 -0.001 0.000 0.343 249 F C 0.710 176.302 175.800 -0.347 0.000 1.136 249 F CA -0.719 57.098 58.000 -0.305 0.000 1.237 249 F CB 0.794 39.708 39.000 -0.142 0.000 1.525 249 F HN 0.590 nan 8.300 nan 0.000 0.528 250 D N 2.475 122.621 120.400 -0.423 0.000 2.533 250 D HA -0.113 4.526 4.640 -0.001 0.000 0.236 250 D C 0.191 176.446 176.300 -0.075 0.000 1.137 250 D CA 0.893 54.685 54.000 -0.347 0.000 0.867 250 D CB 0.432 41.023 40.800 -0.347 0.000 1.170 250 D HN 0.547 nan 8.370 nan 0.000 0.474 251 D N 2.198 122.592 120.400 -0.011 0.000 3.218 251 D HA -0.194 4.445 4.640 -0.001 0.000 0.213 251 D C -1.279 175.049 176.300 0.047 0.000 1.192 251 D CA 0.360 54.389 54.000 0.047 0.000 0.940 251 D CB -0.527 40.318 40.800 0.075 0.000 0.841 251 D HN 0.055 nan 8.370 nan 0.000 0.391 252 V N 3.174 123.127 119.914 0.066 0.000 2.509 252 V HA 0.419 4.538 4.120 -0.001 0.000 0.284 252 V C 1.445 177.560 176.094 0.035 0.000 1.047 252 V CA 0.200 62.526 62.300 0.044 0.000 0.952 252 V CB 1.722 33.595 31.823 0.083 0.000 0.988 252 V HN 0.540 nan 8.190 nan 0.000 0.469 253 V N 1.178 121.094 119.914 0.004 0.000 3.480 253 V HA 0.319 4.438 4.120 -0.001 0.000 0.263 253 V C 0.578 176.654 176.094 -0.030 0.000 1.442 253 V CA -0.012 62.283 62.300 -0.008 0.000 1.053 253 V CB -0.174 31.648 31.823 -0.002 0.000 0.846 253 V HN 0.727 nan 8.190 nan 0.000 0.440 254 Q N 2.228 122.001 119.800 -0.045 0.000 2.261 254 Q HA 0.210 4.549 4.340 -0.001 0.000 0.252 254 Q C 0.919 176.882 176.000 -0.061 0.000 0.915 254 Q CA -0.001 55.763 55.803 -0.065 0.000 0.915 254 Q CB 1.649 30.330 28.738 -0.096 0.000 1.204 254 Q HN 0.598 nan 8.270 nan 0.000 0.421 255 E N 2.549 122.714 120.200 -0.057 0.000 2.435 255 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 255 E C 0.513 177.093 176.600 -0.034 0.000 1.029 255 E CA 0.757 57.129 56.400 -0.046 0.000 0.865 255 E CB 0.326 29.994 29.700 -0.053 0.000 0.833 255 E HN 0.516 nan 8.360 nan 0.000 0.510 256 E N 1.063 121.225 120.200 -0.064 0.000 2.106 256 E HA -0.071 4.278 4.350 -0.001 0.000 0.192 256 E C 1.725 178.245 176.600 -0.133 0.000 0.984 256 E CA 1.226 57.586 56.400 -0.068 0.000 0.806 256 E CB -0.309 29.311 29.700 -0.133 0.000 0.750 256 E HN 0.277 nan 8.360 nan 0.000 0.458 257 T N 1.259 115.688 114.554 -0.208 0.000 2.737 257 T HA -0.172 4.177 4.350 -0.001 0.000 0.269 257 T C 1.812 176.543 174.700 0.051 0.000 1.040 257 T CA 1.014 62.998 62.100 -0.193 0.000 1.142 257 T CB -0.110 68.661 68.868 -0.163 0.000 0.861 257 T HN 0.015 nan 8.240 nan 0.000 0.456 258 I N 0.870 121.498 120.570 0.097 0.000 2.353 258 I HA -0.011 4.158 4.170 -0.001 0.000 0.248 258 I C 2.387 178.613 176.117 0.181 0.000 1.119 258 I CA 0.959 62.373 61.300 0.190 0.000 1.417 258 I CB -0.455 37.579 38.000 0.057 0.000 1.078 258 I HN 0.123 nan 8.210 nan 0.000 0.421 259 R N -0.871 119.706 120.500 0.128 0.000 2.117 259 R HA -0.240 4.099 4.340 -0.001 0.000 0.243 259 R C 2.157 178.592 176.300 0.226 0.000 1.143 259 R CA 1.818 58.010 56.100 0.153 0.000 0.968 259 R CB -0.698 29.692 30.300 0.151 0.000 0.863 259 R HN 0.351 nan 8.270 nan 0.000 0.444 260 W N 0.660 121.896 121.300 -0.106 0.000 2.379 260 W HA 0.025 4.684 4.660 -0.002 0.000 0.307 260 W C 2.513 179.070 176.519 0.064 0.000 1.200 260 W CA 1.007 58.206 57.345 -0.244 0.000 1.297 260 W CB -0.750 28.137 29.460 -0.956 0.000 1.140 260 W HN 0.126 nan 8.180 nan 0.000 0.507 261 A N -0.715 122.424 122.820 0.531 0.000 2.172 261 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 261 A C 1.884 179.724 177.584 0.427 0.000 1.154 261 A CA 1.405 53.764 52.037 0.535 0.000 0.701 261 A CB -0.506 18.838 19.000 0.574 0.000 0.789 261 A HN 0.445 nan 8.150 nan 0.000 0.465 262 Q N -0.842 119.264 119.800 0.511 0.000 2.384 262 Q HA -0.001 4.338 4.340 -0.001 0.000 0.207 262 Q C 1.285 177.397 176.000 0.186 0.000 0.904 262 Q CA 0.447 56.489 55.803 0.397 0.000 0.933 262 Q CB 0.192 29.189 28.738 0.432 0.000 1.077 262 Q HN 0.799 nan 8.270 nan 0.000 0.522 263 E N 0.060 120.328 120.200 0.112 0.000 2.158 263 E HA -0.043 4.306 4.350 -0.001 0.000 0.191 263 E C 1.549 178.152 176.600 0.006 0.000 0.982 263 E CA 0.545 56.944 56.400 -0.002 0.000 0.823 263 E CB 0.324 29.933 29.700 -0.152 0.000 0.766 263 E HN 0.277 nan 8.360 nan 0.000 0.468 264 L N 0.300 121.556 121.223 0.056 0.000 2.592 264 L HA 0.162 4.501 4.340 -0.001 0.000 0.227 264 L C -0.138 176.785 176.870 0.088 0.000 1.127 264 L CA 0.087 54.969 54.840 0.070 0.000 0.884 264 L CB -0.008 42.134 42.059 0.138 0.000 1.065 264 L HN 0.080 nan 8.230 nan 0.000 0.457 265 R N 0.996 121.553 120.500 0.094 0.000 3.079 265 R HA -0.139 4.200 4.340 -0.001 0.000 0.254 265 R C -0.897 175.442 176.300 0.065 0.000 0.900 265 R CA 0.293 56.440 56.100 0.079 0.000 0.641 265 R CB -1.666 28.676 30.300 0.070 0.000 1.307 265 R HN 0.232 nan 8.270 nan 0.000 0.477 266 L N 1.358 122.591 121.223 0.017 0.000 2.317 266 L HA 0.444 4.783 4.340 -0.001 0.000 0.281 266 L C 0.798 177.532 176.870 -0.227 0.000 1.024 266 L CA -0.846 54.007 54.840 0.022 0.000 0.810 266 L CB 1.758 43.889 42.059 0.120 0.000 1.240 266 L HN 0.217 nan 8.230 nan 0.000 0.427 267 R N 2.109 122.493 120.500 -0.194 0.000 2.248 267 R HA 0.302 4.641 4.340 -0.001 0.000 0.337 267 R C -0.636 175.260 176.300 -0.673 0.000 1.085 267 R CA -0.175 55.594 56.100 -0.551 0.000 0.934 267 R CB 0.113 30.330 30.300 -0.139 0.000 1.034 267 R HN 0.694 nan 8.270 nan 0.000 0.465 268 C N 1.310 120.021 119.300 -0.983 0.000 2.898 268 C HA 0.591 5.050 4.460 -0.001 0.000 0.304 268 C C -0.359 174.233 174.990 -0.663 0.000 1.237 268 C CA -1.372 57.228 59.018 -0.698 0.000 1.529 268 C CB 1.021 28.499 27.740 -0.437 0.000 2.021 268 C HN 0.684 nan 8.230 nan 0.000 0.474 269 L N 2.156 123.098 121.223 -0.469 0.000 2.334 269 L HA 0.873 5.212 4.340 -0.001 0.000 0.275 269 L C -0.991 175.757 176.870 -0.204 0.000 1.036 269 L CA -0.239 54.414 54.840 -0.312 0.000 0.807 269 L CB 1.852 43.752 42.059 -0.265 0.000 1.231 269 L HN 0.795 nan 8.230 nan 0.000 0.438 270 V N 1.929 121.787 119.914 -0.092 0.000 2.686 270 V HA 0.336 4.455 4.120 -0.001 0.000 0.306 270 V C -0.086 176.084 176.094 0.126 0.000 1.065 270 V CA -0.644 61.712 62.300 0.093 0.000 0.894 270 V CB 2.225 34.221 31.823 0.287 0.000 1.004 270 V HN 0.859 nan 8.190 nan 0.000 0.424 271 T N 0.858 115.451 114.554 0.064 0.000 2.758 271 T HA 0.727 5.076 4.350 -0.001 0.000 0.285 271 T C -0.448 174.323 174.700 0.119 0.000 0.981 271 T CA -0.358 61.784 62.100 0.070 0.000 0.965 271 T CB 1.420 70.277 68.868 -0.019 0.000 0.927 271 T HN 0.854 nan 8.240 nan 0.000 0.448 272 T N 2.444 117.090 114.554 0.153 0.000 2.894 272 T HA 0.463 4.812 4.350 -0.001 0.000 0.309 272 T C 0.770 175.532 174.700 0.104 0.000 1.208 272 T CA -0.899 61.279 62.100 0.131 0.000 1.016 272 T CB 1.574 70.533 68.868 0.152 0.000 1.192 272 T HN 0.599 nan 8.240 nan 0.000 0.491 273 R N 1.261 121.801 120.500 0.068 0.000 2.064 273 R HA 0.127 4.466 4.340 -0.001 0.000 0.221 273 R C 0.226 176.537 176.300 0.017 0.000 1.136 273 R CA 0.378 56.506 56.100 0.047 0.000 0.980 273 R CB -0.623 29.696 30.300 0.031 0.000 0.876 273 R HN 0.636 nan 8.270 nan 0.000 0.437 274 D N 0.870 121.263 120.400 -0.013 0.000 2.312 274 D HA 0.065 4.704 4.640 -0.001 0.000 0.252 274 D C 0.977 177.207 176.300 -0.118 0.000 1.150 274 D CA -0.058 53.904 54.000 -0.063 0.000 0.870 274 D CB 1.715 42.476 40.800 -0.064 0.000 1.153 274 D HN -0.220 nan 8.370 nan 0.000 0.457 275 V N 3.810 123.610 119.914 -0.191 0.000 2.992 275 V HA -0.041 4.078 4.120 -0.001 0.000 0.250 275 V C 1.863 177.721 176.094 -0.393 0.000 1.090 275 V CA 0.779 62.877 62.300 -0.337 0.000 1.101 275 V CB -0.613 30.910 31.823 -0.500 0.000 0.743 275 V HN 0.609 nan 8.190 nan 0.000 0.468 276 E N 1.303 121.335 120.200 -0.281 0.000 2.472 276 E HA -0.127 4.222 4.350 -0.001 0.000 0.200 276 E C 1.943 178.410 176.600 -0.222 0.000 1.046 276 E CA 1.123 57.379 56.400 -0.240 0.000 0.871 276 E CB -0.321 29.279 29.700 -0.167 0.000 0.806 276 E HN 0.760 nan 8.360 nan 0.000 0.533 277 I N 0.061 120.483 120.570 -0.247 0.000 2.800 277 I HA -0.208 3.962 4.170 -0.001 0.000 0.266 277 I C 2.190 178.153 176.117 -0.257 0.000 1.249 277 I CA 1.086 62.262 61.300 -0.208 0.000 1.458 277 I CB -0.656 37.249 38.000 -0.160 0.000 1.093 277 I HN -0.016 nan 8.210 nan 0.000 0.466 278 S N 0.979 116.452 115.700 -0.378 0.000 2.496 278 S HA -0.010 4.459 4.470 -0.001 0.000 0.224 278 S C 1.567 176.134 174.600 -0.055 0.000 0.996 278 S CA 0.437 58.490 58.200 -0.244 0.000 0.927 278 S CB -0.497 62.633 63.200 -0.116 0.000 0.774 278 S HN 0.449 nan 8.310 nan 0.000 0.524 279 N N 3.116 121.766 118.700 -0.083 0.000 2.289 279 N HA 0.089 4.828 4.740 -0.001 0.000 0.184 279 N C 1.698 177.186 175.510 -0.036 0.000 1.016 279 N CA 1.265 54.290 53.050 -0.041 0.000 0.872 279 N CB -0.846 37.608 38.487 -0.055 0.000 0.973 279 N HN 0.632 nan 8.380 nan 0.000 0.433 280 A N -0.150 122.635 122.820 -0.059 0.000 2.178 280 A HA 0.230 4.549 4.320 -0.001 0.000 0.218 280 A C 0.932 178.484 177.584 -0.054 0.000 1.157 280 A CA 0.971 52.980 52.037 -0.047 0.000 0.689 280 A CB -0.344 18.628 19.000 -0.048 0.000 0.787 280 A HN 0.283 nan 8.150 nan 0.000 0.465 281 A N 0.519 123.293 122.820 -0.076 0.000 2.287 281 A HA 0.557 4.876 4.320 -0.001 0.000 0.317 281 A C 0.360 177.956 177.584 0.019 0.000 1.220 281 A CA 0.119 52.107 52.037 -0.083 0.000 0.835 281 A CB 0.585 19.398 19.000 -0.311 0.000 1.180 281 A HN 0.822 nan 8.150 nan 0.000 0.500 282 S N 2.535 118.266 115.700 0.051 0.000 3.158 282 S HA 0.570 5.039 4.470 -0.001 0.000 0.215 282 S C -0.338 174.324 174.600 0.103 0.000 1.359 282 S CA -0.437 57.806 58.200 0.071 0.000 0.974 282 S CB -0.066 63.169 63.200 0.058 0.000 1.336 282 S HN 0.840 nan 8.310 nan 0.000 0.488 283 Q N 0.585 120.460 119.800 0.125 0.000 2.782 283 Q HA 0.330 4.669 4.340 -0.001 0.000 0.308 283 Q C -1.273 174.819 176.000 0.153 0.000 0.883 283 Q CA -0.767 55.135 55.803 0.165 0.000 0.755 283 Q CB 1.114 30.015 28.738 0.271 0.000 1.454 283 Q HN 0.485 nan 8.270 nan 0.000 0.452 284 T N 0.555 115.206 114.554 0.163 0.000 2.972 284 T HA 0.121 4.470 4.350 -0.001 0.000 0.245 284 T C -0.374 174.415 174.700 0.149 0.000 0.977 284 T CA 0.162 62.342 62.100 0.133 0.000 1.266 284 T CB -1.296 67.652 68.868 0.133 0.000 0.985 284 T HN 0.337 nan 8.240 nan 0.000 0.605 285 C N 4.022 123.359 119.300 0.061 0.000 2.264 285 C HA 0.510 4.969 4.460 -0.001 0.000 0.322 285 C C 0.539 175.294 174.990 -0.392 0.000 1.210 285 C CA -0.778 58.184 59.018 -0.094 0.000 1.539 285 C CB -0.385 27.353 27.740 -0.004 0.000 2.167 285 C HN 0.766 nan 8.230 nan 0.000 0.463 286 E N 1.842 121.798 120.200 -0.407 0.000 2.212 286 E HA 0.765 5.114 4.350 -0.001 0.000 0.268 286 E C -1.127 175.239 176.600 -0.389 0.000 0.902 286 E CA -0.210 55.995 56.400 -0.325 0.000 0.779 286 E CB 1.218 30.887 29.700 -0.051 0.000 1.172 286 E HN 0.492 nan 8.360 nan 0.000 0.409 287 F N 1.865 121.969 119.950 0.257 0.000 2.563 287 F HA 0.580 5.106 4.527 -0.002 0.000 0.316 287 F C -0.172 175.767 175.800 0.231 0.000 1.076 287 F CA -0.907 57.289 58.000 0.327 0.000 0.921 287 F CB 1.270 40.514 39.000 0.407 0.000 1.209 287 F HN 0.179 nan 8.300 nan 0.000 0.462 288 I N 1.647 122.424 120.570 0.344 0.000 2.411 288 I HA 0.230 4.399 4.170 -0.001 0.000 0.284 288 I C -0.367 175.635 176.117 -0.192 0.000 1.012 288 I CA -0.562 60.814 61.300 0.126 0.000 1.119 288 I CB 1.778 39.831 38.000 0.089 0.000 1.261 288 I HN 0.696 nan 8.210 nan 0.000 0.448 289 E N 5.579 125.665 120.200 -0.191 0.000 2.383 289 E HA 0.248 4.597 4.350 -0.001 0.000 0.264 289 E C -1.025 175.430 176.600 -0.241 0.000 1.050 289 E CA -0.418 55.711 56.400 -0.452 0.000 0.896 289 E CB 1.293 31.029 29.700 0.060 0.000 0.982 289 E HN 0.380 nan 8.360 nan 0.000 0.424 290 V N 5.107 124.846 119.914 -0.291 0.000 2.239 290 V HA 0.112 4.231 4.120 -0.001 0.000 0.267 290 V C 0.183 176.174 176.094 -0.171 0.000 1.056 290 V CA -0.644 61.461 62.300 -0.326 0.000 0.830 290 V CB -0.028 31.622 31.823 -0.288 0.000 1.090 290 V HN 0.844 nan 8.190 nan 0.000 0.459 291 T N 1.374 115.879 114.554 -0.082 0.000 2.856 291 T HA 0.116 4.465 4.350 -0.001 0.000 0.329 291 T C 0.655 175.369 174.700 0.024 0.000 1.094 291 T CA -0.356 61.762 62.100 0.031 0.000 1.112 291 T CB 0.306 69.248 68.868 0.123 0.000 1.009 291 T HN 0.524 nan 8.240 nan 0.000 0.550 292 S N 1.385 117.121 115.700 0.060 0.000 2.558 292 S HA 0.075 4.544 4.470 -0.001 0.000 0.291 292 S C 0.695 175.350 174.600 0.092 0.000 1.306 292 S CA -0.690 57.554 58.200 0.073 0.000 1.056 292 S CB -0.155 63.101 63.200 0.093 0.000 0.836 292 S HN 0.564 nan 8.310 nan 0.000 0.504 293 L N 3.340 124.618 121.223 0.092 0.000 2.660 293 L HA -0.023 4.316 4.340 -0.001 0.000 0.272 293 L C 1.034 177.994 176.870 0.150 0.000 1.194 293 L CA -0.002 54.909 54.840 0.119 0.000 0.945 293 L CB 0.043 42.172 42.059 0.117 0.000 1.212 293 L HN 0.626 nan 8.230 nan 0.000 0.490 294 E N 2.978 123.284 120.200 0.178 0.000 2.508 294 E HA -0.113 4.236 4.350 -0.001 0.000 0.266 294 E C 1.114 177.827 176.600 0.188 0.000 1.010 294 E CA 0.008 56.518 56.400 0.183 0.000 0.955 294 E CB 0.695 30.516 29.700 0.201 0.000 0.946 294 E HN 0.367 nan 8.360 nan 0.000 0.454 295 I N 2.074 122.753 120.570 0.181 0.000 2.614 295 I HA -0.228 3.941 4.170 -0.001 0.000 0.258 295 I C 1.364 177.658 176.117 0.294 0.000 1.189 295 I CA 1.164 62.586 61.300 0.204 0.000 1.462 295 I CB -1.315 36.797 38.000 0.186 0.000 1.092 295 I HN 0.440 nan 8.210 nan 0.000 0.442 296 D N 0.675 121.225 120.400 0.250 0.000 2.149 296 D HA -0.123 4.516 4.640 -0.001 0.000 0.206 296 D C 1.906 178.383 176.300 0.296 0.000 0.967 296 D CA 0.496 54.651 54.000 0.258 0.000 0.848 296 D CB -0.437 40.453 40.800 0.150 0.000 0.998 296 D HN 0.269 nan 8.370 nan 0.000 0.474 297 E N 0.197 120.555 120.200 0.264 0.000 2.097 297 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 297 E C 2.293 179.100 176.600 0.345 0.000 1.000 297 E CA 1.716 58.300 56.400 0.306 0.000 0.804 297 E CB -0.269 29.604 29.700 0.288 0.000 0.740 297 E HN 0.589 nan 8.360 nan 0.000 0.454 298 C N -0.254 119.216 119.300 0.283 0.000 2.413 298 C HA -0.165 4.294 4.460 -0.001 0.000 0.276 298 C C 2.362 177.511 174.990 0.264 0.000 1.236 298 C CA 0.476 59.653 59.018 0.264 0.000 1.735 298 C CB -1.535 26.296 27.740 0.151 0.000 2.031 298 C HN 0.349 nan 8.230 nan 0.000 0.474 299 Y N 2.628 123.035 120.300 0.179 0.000 2.096 299 Y HA -0.272 4.277 4.550 -0.001 0.000 0.278 299 Y C 2.438 178.447 175.900 0.181 0.000 1.192 299 Y CA 2.492 60.677 58.100 0.142 0.000 1.143 299 Y CB -0.427 38.102 38.460 0.115 0.000 0.963 299 Y HN 0.355 nan 8.280 nan 0.000 0.505 300 D N -0.760 119.893 120.400 0.420 0.000 2.097 300 D HA -0.198 4.441 4.640 -0.001 0.000 0.195 300 D C 1.911 178.509 176.300 0.497 0.000 0.989 300 D CA 1.061 55.296 54.000 0.390 0.000 0.827 300 D CB -0.852 40.174 40.800 0.376 0.000 0.966 300 D HN 0.233 nan 8.370 nan 0.000 0.456 301 F N 1.551 121.689 119.950 0.312 0.000 2.192 301 F HA -0.167 4.359 4.527 -0.002 0.000 0.301 301 F C 1.852 177.730 175.800 0.130 0.000 1.079 301 F CA 0.940 58.951 58.000 0.019 0.000 1.303 301 F CB -0.569 38.263 39.000 -0.281 0.000 1.024 301 F HN -0.069 nan 8.300 nan 0.000 0.494 302 L N -0.347 120.986 121.223 0.183 0.000 1.993 302 L HA -0.179 4.160 4.340 -0.001 0.000 0.206 302 L C 2.483 179.423 176.870 0.117 0.000 1.074 302 L CA 1.831 56.739 54.840 0.114 0.000 0.746 302 L CB -1.102 40.988 42.059 0.052 0.000 0.896 302 L HN 0.024 nan 8.230 nan 0.000 0.435 303 E N 0.439 120.718 120.200 0.131 0.000 2.160 303 E HA -0.268 4.081 4.350 -0.001 0.000 0.195 303 E C 2.170 178.799 176.600 0.049 0.000 0.991 303 E CA 1.098 57.556 56.400 0.097 0.000 0.810 303 E CB 0.009 29.775 29.700 0.110 0.000 0.742 303 E HN 0.462 nan 8.360 nan 0.000 0.466 304 A N 0.256 123.107 122.820 0.052 0.000 1.917 304 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 304 A C 0.741 178.104 177.584 -0.369 0.000 1.182 304 A CA 1.246 53.216 52.037 -0.113 0.000 0.633 304 A CB -0.504 18.502 19.000 0.009 0.000 0.819 304 A HN 0.386 nan 8.150 nan 0.000 0.448 305 Y N 0.089 120.357 120.300 -0.054 0.000 2.921 305 Y HA 0.432 4.981 4.550 -0.001 0.000 0.346 305 Y C 1.406 177.280 175.900 -0.044 0.000 1.182 305 Y CA -0.309 57.716 58.100 -0.125 0.000 1.319 305 Y CB 0.036 38.247 38.460 -0.416 0.000 1.403 305 Y HN 0.315 nan 8.280 nan 0.000 0.554 306 G N 2.884 111.730 108.800 0.078 0.000 2.196 306 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 306 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 306 G C 0.040 174.985 174.900 0.075 0.000 0.790 306 G CA 0.238 45.379 45.100 0.068 0.000 1.061 306 G HN 0.320 nan 8.290 nan 0.000 0.430 307 M N 0.381 120.028 119.600 0.078 0.000 2.149 307 M HA 0.291 4.770 4.480 -0.001 0.000 0.342 307 M C -2.245 174.054 176.300 -0.003 0.000 1.068 307 M CA -2.818 52.503 55.300 0.035 0.000 0.991 307 M CB 1.482 34.121 32.600 0.064 0.000 1.596 307 M HN -0.133 nan 8.290 nan 0.000 0.439 308 P HA 0.145 nan 4.420 nan 0.000 0.264 308 P C -0.638 176.682 177.300 0.033 0.000 1.183 308 P CA 0.120 63.234 63.100 0.024 0.000 0.763 308 P CB 0.435 32.159 31.700 0.041 0.000 0.807 309 M N 5.039 124.738 119.600 0.166 0.000 2.423 309 M HA 0.386 4.865 4.480 -0.001 0.000 0.335 309 M C -2.085 174.446 176.300 0.385 0.000 1.177 309 M CA -2.466 52.975 55.300 0.235 0.000 1.038 309 M CB 0.730 33.447 32.600 0.194 0.000 1.641 309 M HN 0.213 nan 8.290 nan 0.000 0.455 310 P HA -0.008 nan 4.420 nan 0.000 0.261 310 P C 0.034 177.428 177.300 0.157 0.000 1.183 310 P CA 0.084 63.444 63.100 0.432 0.000 0.761 310 P CB 0.505 32.405 31.700 0.334 0.000 0.785 311 V N 3.485 123.380 119.914 -0.032 0.000 2.374 311 V HA 0.047 4.166 4.120 -0.001 0.000 0.241 311 V C 1.893 177.944 176.094 -0.070 0.000 1.034 311 V CA 2.108 64.364 62.300 -0.074 0.000 1.037 311 V CB -0.932 30.795 31.823 -0.159 0.000 0.682 311 V HN 0.726 nan 8.190 nan 0.000 0.463 312 G N -1.305 107.421 108.800 -0.124 0.000 2.928 312 G HA2 0.191 4.150 3.960 -0.001 0.000 0.163 312 G HA3 0.191 4.150 3.960 -0.001 0.000 0.163 312 G C 0.733 175.622 174.900 -0.019 0.000 1.573 312 G CA 0.561 45.616 45.100 -0.075 0.000 1.084 312 G HN 0.300 nan 8.290 nan 0.000 0.569 313 E N -0.962 119.231 120.200 -0.010 0.000 2.538 313 E HA 0.136 4.485 4.350 -0.001 0.000 0.188 313 E C 1.245 177.868 176.600 0.039 0.000 1.014 313 E CA -0.196 56.217 56.400 0.021 0.000 1.140 313 E CB 0.333 30.041 29.700 0.013 0.000 1.262 313 E HN 0.199 nan 8.360 nan 0.000 0.488 314 K N 1.352 121.766 120.400 0.023 0.000 3.025 314 K HA 0.005 4.324 4.320 -0.001 0.000 0.260 314 K C 0.712 177.344 176.600 0.053 0.000 1.023 314 K CA 0.245 56.554 56.287 0.037 0.000 1.194 314 K CB 0.144 32.657 32.500 0.022 0.000 1.094 314 K HN 0.257 nan 8.250 nan 0.000 0.460 315 E N -1.003 119.239 120.200 0.070 0.000 2.367 315 E HA -0.095 4.254 4.350 -0.001 0.000 0.204 315 E C 1.026 177.838 176.600 0.354 0.000 0.840 315 E CA 0.103 56.609 56.400 0.176 0.000 1.051 315 E CB 0.026 29.638 29.700 -0.146 0.000 1.051 315 E HN 0.311 nan 8.360 nan 0.000 0.509 316 E N 2.046 122.404 120.200 0.263 0.000 2.204 316 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 316 E C 1.086 177.782 176.600 0.159 0.000 0.990 316 E CA 1.482 58.030 56.400 0.247 0.000 0.821 316 E CB -0.131 29.710 29.700 0.235 0.000 0.750 316 E HN 0.109 nan 8.360 nan 0.000 0.477 317 D N 0.745 121.220 120.400 0.126 0.000 2.144 317 D HA -0.073 4.567 4.640 -0.001 0.000 0.200 317 D C 1.409 177.750 176.300 0.068 0.000 0.978 317 D CA 0.827 54.878 54.000 0.085 0.000 0.833 317 D CB 0.039 40.878 40.800 0.065 0.000 0.961 317 D HN 0.082 nan 8.370 nan 0.000 0.470 318 V N 1.450 121.421 119.914 0.094 0.000 3.544 318 V HA 0.033 4.152 4.120 -0.001 0.000 0.304 318 V C 1.570 177.688 176.094 0.039 0.000 1.256 318 V CA 0.416 62.764 62.300 0.079 0.000 1.232 318 V CB -0.438 31.456 31.823 0.118 0.000 1.065 318 V HN 0.173 nan 8.190 nan 0.000 0.423 319 L N -1.350 119.882 121.223 0.016 0.000 2.600 319 L HA 0.282 4.621 4.340 -0.001 0.000 0.213 319 L C 1.975 178.793 176.870 -0.086 0.000 1.045 319 L CA 0.647 55.430 54.840 -0.096 0.000 0.863 319 L CB 0.005 41.984 42.059 -0.133 0.000 1.189 319 L HN 0.149 nan 8.230 nan 0.000 0.484 320 N N 1.238 119.925 118.700 -0.021 0.000 2.348 320 N HA -0.216 4.523 4.740 -0.001 0.000 0.185 320 N C 1.543 177.053 175.510 -0.000 0.000 1.019 320 N CA 1.199 54.251 53.050 0.002 0.000 0.880 320 N CB -0.245 38.275 38.487 0.055 0.000 0.965 320 N HN 0.302 nan 8.380 nan 0.000 0.437 321 K N 1.107 121.503 120.400 -0.006 0.000 2.032 321 K HA -0.043 4.276 4.320 -0.001 0.000 0.209 321 K C 1.750 178.335 176.600 -0.025 0.000 1.048 321 K CA 1.638 57.913 56.287 -0.021 0.000 0.927 321 K CB -0.760 31.735 32.500 -0.009 0.000 0.712 321 K HN 0.077 nan 8.250 nan 0.000 0.441 322 T N 1.059 115.607 114.554 -0.009 0.000 2.812 322 T HA 0.012 4.361 4.350 -0.001 0.000 0.264 322 T C 1.842 176.551 174.700 0.015 0.000 1.042 322 T CA 1.482 63.603 62.100 0.036 0.000 1.140 322 T CB -0.218 68.679 68.868 0.049 0.000 0.870 322 T HN 0.176 nan 8.240 nan 0.000 0.445 323 I N 1.257 121.812 120.570 -0.025 0.000 2.361 323 I HA -0.159 4.010 4.170 -0.001 0.000 0.251 323 I C 2.666 178.814 176.117 0.051 0.000 1.133 323 I CA 1.344 62.648 61.300 0.007 0.000 1.413 323 I CB -0.422 37.566 38.000 -0.020 0.000 1.073 323 I HN 0.355 nan 8.210 nan 0.000 0.424 324 E N 1.715 121.934 120.200 0.031 0.000 2.072 324 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 324 E C 2.295 178.899 176.600 0.008 0.000 0.982 324 E CA 0.894 57.321 56.400 0.045 0.000 0.803 324 E CB 0.051 29.739 29.700 -0.019 0.000 0.755 324 E HN 0.426 nan 8.360 nan 0.000 0.453 325 L N 0.855 122.041 121.223 -0.062 0.000 1.950 325 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 325 L C 2.309 179.234 176.870 0.092 0.000 1.079 325 L CA 1.365 56.181 54.840 -0.040 0.000 0.754 325 L CB -0.696 41.333 42.059 -0.049 0.000 0.889 325 L HN 0.192 nan 8.230 nan 0.000 0.433 326 S N -0.261 115.491 115.700 0.087 0.000 3.048 326 S HA 0.003 4.472 4.470 -0.001 0.000 0.254 326 S C 0.751 175.427 174.600 0.127 0.000 1.084 326 S CA -0.305 57.962 58.200 0.112 0.000 1.195 326 S CB -0.886 62.385 63.200 0.119 0.000 0.870 326 S HN 0.274 nan 8.310 nan 0.000 0.483 327 S N 2.154 117.944 115.700 0.151 0.000 3.379 327 S HA 0.076 4.545 4.470 -0.001 0.000 0.126 327 S C 1.205 175.882 174.600 0.130 0.000 0.290 327 S CA 0.740 59.034 58.200 0.157 0.000 1.448 327 S CB -1.841 61.470 63.200 0.185 0.000 0.729 327 S HN 1.644 nan 8.310 nan 0.000 0.233 328 G N 2.101 110.975 108.800 0.122 0.000 2.415 328 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.283 328 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.283 328 G C -0.390 174.574 174.900 0.107 0.000 1.014 328 G CA -0.162 45.008 45.100 0.117 0.000 1.323 328 G HN 0.665 nan 8.290 nan 0.000 0.502 329 N N 1.814 120.589 118.700 0.125 0.000 2.594 329 N HA 0.308 5.047 4.740 -0.001 0.000 0.280 329 N C -1.513 174.094 175.510 0.160 0.000 1.156 329 N CA -1.412 51.708 53.050 0.117 0.000 0.831 329 N CB 1.998 40.552 38.487 0.112 0.000 1.379 329 N HN 0.003 nan 8.380 nan 0.000 0.536 330 P HA -0.230 nan 4.420 nan 0.000 0.214 330 P C 1.086 178.524 177.300 0.230 0.000 1.164 330 P CA 2.064 65.264 63.100 0.167 0.000 0.942 330 P CB 0.280 31.957 31.700 -0.037 0.000 0.791 331 A N -1.410 121.490 122.820 0.134 0.000 1.933 331 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 331 A C 2.073 179.806 177.584 0.248 0.000 1.175 331 A CA 2.506 54.652 52.037 0.181 0.000 0.628 331 A CB -1.844 17.273 19.000 0.195 0.000 0.814 331 A HN 0.319 nan 8.150 nan 0.000 0.444 332 T N -0.414 114.267 114.554 0.213 0.000 3.055 332 T HA 0.121 4.470 4.350 -0.001 0.000 0.265 332 T C 1.655 176.470 174.700 0.192 0.000 1.111 332 T CA 0.911 63.114 62.100 0.172 0.000 1.118 332 T CB -0.180 68.763 68.868 0.125 0.000 0.909 332 T HN 0.309 nan 8.240 nan 0.000 0.501 333 L N -0.036 121.344 121.223 0.262 0.000 2.007 333 L HA 0.085 4.424 4.340 -0.001 0.000 0.205 333 L C 2.653 179.789 176.870 0.442 0.000 1.073 333 L CA 0.940 55.962 54.840 0.304 0.000 0.744 333 L CB -0.475 41.837 42.059 0.422 0.000 0.898 333 L HN 0.160 nan 8.230 nan 0.000 0.435 334 M N -0.515 119.386 119.600 0.501 0.000 2.144 334 M HA -0.269 4.210 4.480 -0.001 0.000 0.260 334 M C 2.195 178.691 176.300 0.328 0.000 1.067 334 M CA 1.952 57.499 55.300 0.412 0.000 1.095 334 M CB -0.359 32.351 32.600 0.183 0.000 1.365 334 M HN 0.124 nan 8.290 nan 0.000 0.406 335 M N -2.061 117.685 119.600 0.244 0.000 2.267 335 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 335 M C 1.973 178.368 176.300 0.159 0.000 1.063 335 M CA 1.544 56.941 55.300 0.162 0.000 1.090 335 M CB -0.527 32.140 32.600 0.111 0.000 1.392 335 M HN 0.333 nan 8.290 nan 0.000 0.422 336 F N 0.107 120.043 119.950 -0.023 0.000 2.037 336 F HA -0.196 4.330 4.527 -0.001 0.000 0.291 336 F C 1.859 177.543 175.800 -0.193 0.000 1.137 336 F CA 0.887 58.776 58.000 -0.185 0.000 1.178 336 F CB -0.101 38.663 39.000 -0.395 0.000 0.995 336 F HN -0.069 nan 8.300 nan 0.000 0.472 337 F N 0.987 120.981 119.950 0.072 0.000 2.037 337 F HA -0.358 4.168 4.527 -0.002 0.000 0.296 337 F C 2.211 178.004 175.800 -0.010 0.000 1.132 337 F CA 1.790 59.739 58.000 -0.085 0.000 1.211 337 F CB -1.411 37.464 39.000 -0.208 0.000 0.951 337 F HN -0.149 nan 8.300 nan 0.000 0.503 338 K N -0.007 120.530 120.400 0.229 0.000 2.189 338 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 338 K C 1.534 178.194 176.600 0.100 0.000 1.046 338 K CA 1.706 58.064 56.287 0.118 0.000 0.928 338 K CB -0.571 31.985 32.500 0.094 0.000 0.720 338 K HN 0.195 nan 8.250 nan 0.000 0.458 339 S N -1.432 114.343 115.700 0.125 0.000 2.663 339 S HA 0.108 4.577 4.470 -0.001 0.000 0.243 339 S C -0.298 174.379 174.600 0.128 0.000 1.009 339 S CA -0.552 57.703 58.200 0.092 0.000 0.988 339 S CB 0.370 63.596 63.200 0.043 0.000 0.896 339 S HN 0.305 nan 8.310 nan 0.000 0.502 340 C N 3.555 122.945 119.300 0.149 0.000 2.138 340 C HA 0.339 4.799 4.460 -0.001 0.000 0.398 340 C C 1.525 176.548 174.990 0.054 0.000 1.029 340 C CA -0.622 58.462 59.018 0.111 0.000 1.426 340 C CB -1.927 25.808 27.740 -0.009 0.000 1.652 340 C HN 0.588 nan 8.230 nan 0.000 0.486 341 E N 2.867 123.099 120.200 0.053 0.000 2.000 341 E HA -0.178 4.171 4.350 -0.001 0.000 0.199 341 E C -0.449 176.171 176.600 0.033 0.000 1.011 341 E CA 1.661 58.085 56.400 0.040 0.000 0.836 341 E CB -0.843 28.878 29.700 0.034 0.000 0.778 341 E HN 0.581 nan 8.360 nan 0.000 0.462 342 P HA -0.167 nan 4.420 nan 0.000 0.214 342 P C 0.416 177.731 177.300 0.025 0.000 1.163 342 P CA 1.584 64.701 63.100 0.029 0.000 0.883 342 P CB 0.152 31.872 31.700 0.033 0.000 0.788 343 K N -3.411 116.997 120.400 0.012 0.000 3.118 343 K HA -0.054 4.265 4.320 -0.001 0.000 0.232 343 K C -0.655 175.935 176.600 -0.016 0.000 1.349 343 K CA 0.310 56.587 56.287 -0.015 0.000 0.791 343 K CB -1.866 30.637 32.500 0.004 0.000 2.044 343 K HN 0.186 nan 8.250 nan 0.000 0.555 344 T N 0.099 114.666 114.554 0.023 0.000 2.874 344 T HA 0.311 4.660 4.350 -0.001 0.000 0.281 344 T C 1.042 175.790 174.700 0.079 0.000 0.994 344 T CA -0.435 61.720 62.100 0.091 0.000 1.015 344 T CB 0.313 69.243 68.868 0.104 0.000 1.028 344 T HN 0.084 nan 8.240 nan 0.000 0.523 345 F N 0.354 120.295 119.950 -0.015 0.000 2.202 345 F HA -0.079 4.447 4.527 -0.001 0.000 0.301 345 F C 2.525 178.323 175.800 -0.004 0.000 1.082 345 F CA 1.270 59.259 58.000 -0.018 0.000 1.313 345 F CB -0.391 38.604 39.000 -0.010 0.000 1.024 345 F HN 0.762 nan 8.300 nan 0.000 0.495 346 E N 0.788 121.104 120.200 0.192 0.000 2.007 346 E HA -0.289 4.060 4.350 -0.001 0.000 0.203 346 E C 2.314 178.960 176.600 0.077 0.000 1.020 346 E CA 1.450 57.915 56.400 0.109 0.000 0.845 346 E CB -0.245 29.503 29.700 0.081 0.000 0.779 346 E HN 0.101 nan 8.360 nan 0.000 0.466 347 K N 0.621 121.058 120.400 0.062 0.000 2.283 347 K HA -0.124 4.195 4.320 -0.001 0.000 0.202 347 K C 2.083 178.727 176.600 0.074 0.000 1.048 347 K CA 0.810 57.129 56.287 0.054 0.000 0.948 347 K CB -0.305 32.222 32.500 0.045 0.000 0.742 347 K HN 0.322 nan 8.250 nan 0.000 0.458 348 M N 0.199 119.829 119.600 0.051 0.000 2.132 348 M HA -0.084 4.396 4.480 -0.001 0.000 0.263 348 M C 1.785 178.168 176.300 0.139 0.000 1.065 348 M CA 1.788 57.139 55.300 0.085 0.000 1.122 348 M CB -0.635 31.871 32.600 -0.156 0.000 1.365 348 M HN 0.037 nan 8.290 nan 0.000 0.411 349 A N 0.033 122.902 122.820 0.081 0.000 2.066 349 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 349 A C 1.962 179.576 177.584 0.050 0.000 1.157 349 A CA 1.096 53.176 52.037 0.072 0.000 0.670 349 A CB -0.656 18.389 19.000 0.075 0.000 0.804 349 A HN 0.735 nan 8.150 nan 0.000 0.453 350 Q N -0.508 119.320 119.800 0.046 0.000 2.170 350 Q HA -0.101 4.238 4.340 -0.001 0.000 0.203 350 Q C 1.865 177.863 176.000 -0.003 0.000 0.976 350 Q CA 1.236 57.052 55.803 0.022 0.000 0.858 350 Q CB -0.200 28.552 28.738 0.022 0.000 0.907 350 Q HN 0.684 nan 8.270 nan 0.000 0.433 351 L N 0.101 121.326 121.223 0.003 0.000 2.127 351 L HA -0.087 4.252 4.340 -0.001 0.000 0.203 351 L C 1.805 178.594 176.870 -0.135 0.000 1.080 351 L CA 0.449 55.226 54.840 -0.106 0.000 0.768 351 L CB -0.621 41.321 42.059 -0.194 0.000 0.924 351 L HN 0.210 nan 8.230 nan 0.000 0.444 352 N N 1.049 119.734 118.700 -0.025 0.000 2.242 352 N HA -0.209 4.531 4.740 -0.001 0.000 0.191 352 N C 1.456 176.942 175.510 -0.041 0.000 1.005 352 N CA 1.387 54.424 53.050 -0.022 0.000 0.877 352 N CB -0.360 38.143 38.487 0.026 0.000 0.983 352 N HN 0.413 nan 8.380 nan 0.000 0.439 353 N N 0.461 119.142 118.700 -0.032 0.000 2.220 353 N HA -0.020 4.719 4.740 -0.001 0.000 0.182 353 N C 1.464 176.954 175.510 -0.033 0.000 1.023 353 N CA 0.567 53.603 53.050 -0.024 0.000 0.856 353 N CB -0.304 38.177 38.487 -0.010 0.000 0.997 353 N HN 0.011 nan 8.380 nan 0.000 0.429 354 K N 0.975 121.341 120.400 -0.056 0.000 2.293 354 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 354 K C 1.624 178.174 176.600 -0.082 0.000 1.045 354 K CA 0.424 56.671 56.287 -0.068 0.000 0.933 354 K CB -0.286 32.154 32.500 -0.099 0.000 0.736 354 K HN 0.194 nan 8.250 nan 0.000 0.463 355 L N 0.605 121.768 121.223 -0.100 0.000 2.084 355 L HA -0.069 4.270 4.340 -0.001 0.000 0.202 355 L C 1.795 178.658 176.870 -0.012 0.000 1.074 355 L CA 1.397 56.178 54.840 -0.098 0.000 0.757 355 L CB -0.719 41.257 42.059 -0.138 0.000 0.918 355 L HN 0.213 nan 8.230 nan 0.000 0.444 356 E N -0.277 119.928 120.200 0.009 0.000 2.267 356 E HA -0.161 4.188 4.350 -0.001 0.000 0.197 356 E C 1.299 177.971 176.600 0.120 0.000 0.998 356 E CA 1.300 57.738 56.400 0.064 0.000 0.830 356 E CB 0.014 29.730 29.700 0.026 0.000 0.751 356 E HN 0.433 nan 8.360 nan 0.000 0.491 357 S N -0.858 114.902 115.700 0.099 0.000 2.855 357 S HA 0.353 4.823 4.470 -0.001 0.000 0.249 357 S C 0.738 175.441 174.600 0.171 0.000 1.033 357 S CA -0.716 57.565 58.200 0.134 0.000 1.038 357 S CB 0.585 63.820 63.200 0.058 0.000 0.960 357 S HN 0.056 nan 8.310 nan 0.000 0.548 358 R N 0.119 120.701 120.500 0.136 0.000 2.424 358 R HA 0.270 4.609 4.340 -0.001 0.000 0.300 358 R C 1.004 176.950 176.300 -0.590 0.000 0.730 358 R CA 0.287 56.352 56.100 -0.057 0.000 0.969 358 R CB 0.444 30.709 30.300 -0.059 0.000 1.669 358 R HN 0.486 nan 8.270 nan 0.000 0.500 359 G N 1.581 109.886 108.800 -0.826 0.000 2.578 359 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.284 359 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.284 359 G C 0.446 175.141 174.900 -0.341 0.000 1.283 359 G CA 0.140 44.767 45.100 -0.789 0.000 0.944 359 G HN 0.057 nan 8.290 nan 0.000 0.558 360 L N 0.463 121.563 121.223 -0.206 0.000 2.362 360 L HA 0.075 4.414 4.340 -0.001 0.000 0.219 360 L C 2.968 179.772 176.870 -0.110 0.000 1.134 360 L CA 1.377 56.161 54.840 -0.094 0.000 0.807 360 L CB -0.619 41.449 42.059 0.015 0.000 0.927 360 L HN 0.436 nan 8.230 nan 0.000 0.447 361 V N -0.736 119.088 119.914 -0.151 0.000 3.510 361 V HA 0.032 4.151 4.120 -0.001 0.000 0.270 361 V C 2.045 178.076 176.094 -0.105 0.000 1.201 361 V CA 1.192 63.429 62.300 -0.105 0.000 1.166 361 V CB -0.940 30.824 31.823 -0.097 0.000 0.825 361 V HN 0.505 nan 8.190 nan 0.000 0.484 362 G N -1.108 107.609 108.800 -0.140 0.000 3.284 362 G HA2 0.218 4.177 3.960 -0.001 0.000 0.236 362 G HA3 0.218 4.177 3.960 -0.001 0.000 0.236 362 G C 0.799 175.608 174.900 -0.151 0.000 1.158 362 G CA 0.688 45.710 45.100 -0.130 0.000 0.774 362 G HN 0.356 nan 8.290 nan 0.000 0.545 363 V N -0.857 118.974 119.914 -0.139 0.000 3.443 363 V HA 0.258 4.377 4.120 -0.001 0.000 0.277 363 V C 0.553 176.608 176.094 -0.066 0.000 1.648 363 V CA -0.221 61.993 62.300 -0.143 0.000 1.058 363 V CB 0.312 31.991 31.823 -0.241 0.000 0.877 363 V HN 0.398 nan 8.190 nan 0.000 0.417 364 E N 1.086 121.257 120.200 -0.048 0.000 3.471 364 E HA -0.164 4.185 4.350 -0.001 0.000 0.240 364 E C -0.284 176.317 176.600 0.002 0.000 0.916 364 E CA 0.918 57.308 56.400 -0.015 0.000 0.943 364 E CB -0.262 29.425 29.700 -0.021 0.000 0.889 364 E HN 0.556 nan 8.360 nan 0.000 0.575 365 C N 3.844 123.160 119.300 0.026 0.000 3.235 365 C HA 0.511 4.970 4.460 -0.001 0.000 0.351 365 C C 0.158 175.177 174.990 0.048 0.000 1.520 365 C CA -0.814 58.226 59.018 0.036 0.000 1.474 365 C CB 0.765 28.534 27.740 0.049 0.000 2.019 365 C HN 0.786 nan 8.230 nan 0.000 0.446 366 I N 1.797 122.396 120.570 0.047 0.000 3.862 366 I HA 0.178 4.347 4.170 -0.001 0.000 0.328 366 I C 1.170 177.323 176.117 0.060 0.000 1.474 366 I CA 0.406 61.734 61.300 0.047 0.000 1.215 366 I CB -0.886 37.134 38.000 0.033 0.000 1.183 366 I HN 0.636 nan 8.210 nan 0.000 0.413 367 T N 2.065 116.670 114.554 0.085 0.000 2.939 367 T HA 0.029 4.378 4.350 -0.001 0.000 0.319 367 T C -1.357 173.410 174.700 0.112 0.000 1.082 367 T CA -0.673 61.489 62.100 0.103 0.000 1.133 367 T CB 0.676 69.640 68.868 0.159 0.000 1.019 367 T HN 0.111 nan 8.240 nan 0.000 0.548 368 P HA -0.021 nan 4.420 nan 0.000 0.231 368 P C -0.304 177.070 177.300 0.123 0.000 1.154 368 P CA 0.442 63.584 63.100 0.070 0.000 0.762 368 P CB -0.231 31.487 31.700 0.030 0.000 0.790 369 Y N 1.100 121.410 120.300 0.017 0.000 2.326 369 Y HA 0.076 4.625 4.550 -0.001 0.000 0.333 369 Y C 1.434 177.301 175.900 -0.056 0.000 1.240 369 Y CA -1.370 56.734 58.100 0.007 0.000 1.365 369 Y CB 0.427 38.932 38.460 0.076 0.000 1.289 369 Y HN -0.111 nan 8.280 nan 0.000 0.548 370 S N 3.121 118.925 115.700 0.172 0.000 2.840 370 S HA 0.228 4.697 4.470 -0.001 0.000 0.235 370 S C -0.802 173.438 174.600 -0.600 0.000 0.968 370 S CA -0.113 57.941 58.200 -0.242 0.000 1.026 370 S CB -1.040 61.986 63.200 -0.290 0.000 0.788 370 S HN 0.503 nan 8.310 nan 0.000 0.487 371 Y N -0.327 119.817 120.300 -0.260 0.000 2.513 371 Y HA 0.392 4.941 4.550 -0.002 0.000 0.340 371 Y C 0.914 176.709 175.900 -0.175 0.000 1.055 371 Y CA -1.550 56.355 58.100 -0.324 0.000 1.020 371 Y CB 1.302 39.370 38.460 -0.653 0.000 1.301 371 Y HN -0.250 nan 8.280 nan 0.000 0.453 372 K N 1.036 121.481 120.400 0.075 0.000 1.964 372 K HA -0.058 4.261 4.320 -0.001 0.000 0.218 372 K C 0.803 177.426 176.600 0.039 0.000 1.043 372 K CA 1.386 57.700 56.287 0.045 0.000 0.966 372 K CB -0.437 32.080 32.500 0.028 0.000 0.739 372 K HN 0.684 nan 8.250 nan 0.000 0.443 373 S N 0.020 115.726 115.700 0.010 0.000 2.718 373 S HA 0.198 4.667 4.470 -0.001 0.000 0.300 373 S C 1.182 175.758 174.600 -0.041 0.000 1.117 373 S CA -0.887 57.317 58.200 0.006 0.000 1.002 373 S CB 1.202 64.400 63.200 -0.003 0.000 1.092 373 S HN 0.158 nan 8.310 nan 0.000 0.542 374 L N 1.330 122.545 121.223 -0.013 0.000 2.042 374 L HA -0.057 4.282 4.340 -0.001 0.000 0.210 374 L C 2.820 179.592 176.870 -0.164 0.000 1.076 374 L CA 2.638 57.436 54.840 -0.071 0.000 0.749 374 L CB -2.122 39.939 42.059 0.002 0.000 0.893 374 L HN 1.020 nan 8.230 nan 0.000 0.432 375 A N -0.144 122.675 122.820 -0.002 0.000 1.954 375 A HA -0.325 3.995 4.320 -0.001 0.000 0.222 375 A C 2.115 179.704 177.584 0.009 0.000 1.199 375 A CA 2.577 54.730 52.037 0.194 0.000 0.657 375 A CB -0.507 18.642 19.000 0.249 0.000 0.823 375 A HN 0.509 nan 8.150 nan 0.000 0.463 376 M N -0.726 118.779 119.600 -0.158 0.000 2.279 376 M HA -0.045 4.434 4.480 -0.001 0.000 0.264 376 M C 2.282 178.234 176.300 -0.580 0.000 1.062 376 M CA 1.300 56.445 55.300 -0.257 0.000 1.099 376 M CB -1.835 30.654 32.600 -0.184 0.000 1.394 376 M HN 0.511 nan 8.290 nan 0.000 0.426 377 A N 0.006 122.292 122.820 -0.891 0.000 1.871 377 A HA 0.067 4.386 4.320 -0.001 0.000 0.211 377 A C 2.317 179.595 177.584 -0.509 0.000 1.207 377 A CA 0.560 51.894 52.037 -1.171 0.000 0.620 377 A CB -0.750 17.622 19.000 -1.047 0.000 0.860 377 A HN 0.394 nan 8.150 nan 0.000 0.450 378 L N -0.295 120.652 121.223 -0.460 0.000 2.042 378 L HA -0.292 4.047 4.340 -0.001 0.000 0.210 378 L C 2.877 179.583 176.870 -0.273 0.000 1.076 378 L CA 1.879 56.421 54.840 -0.497 0.000 0.749 378 L CB -0.526 40.852 42.059 -1.134 0.000 0.893 378 L HN 0.621 nan 8.230 nan 0.000 0.432 379 Q N -0.062 119.689 119.800 -0.082 0.000 2.224 379 Q HA -0.316 4.023 4.340 -0.001 0.000 0.213 379 Q C 2.396 178.395 176.000 -0.001 0.000 0.998 379 Q CA 1.920 57.778 55.803 0.092 0.000 0.895 379 Q CB -0.086 28.683 28.738 0.052 0.000 0.926 379 Q HN 0.327 nan 8.270 nan 0.000 0.417 380 R N -0.093 120.365 120.500 -0.071 0.000 2.057 380 R HA -0.079 4.260 4.340 -0.001 0.000 0.229 380 R C 2.108 178.385 176.300 -0.039 0.000 1.136 380 R CA 1.428 57.502 56.100 -0.043 0.000 0.952 380 R CB -1.104 29.176 30.300 -0.033 0.000 0.848 380 R HN 0.403 nan 8.270 nan 0.000 0.430 381 C N 0.848 120.108 119.300 -0.066 0.000 2.443 381 C HA 0.011 4.470 4.460 -0.001 0.000 0.290 381 C C 2.512 177.476 174.990 -0.044 0.000 1.476 381 C CA 0.281 59.265 59.018 -0.057 0.000 1.772 381 C CB -1.024 26.671 27.740 -0.076 0.000 1.714 381 C HN 0.297 nan 8.230 nan 0.000 0.562 382 V N 1.071 120.970 119.914 -0.025 0.000 2.374 382 V HA -0.104 4.015 4.120 -0.001 0.000 0.241 382 V C 2.393 178.485 176.094 -0.003 0.000 1.034 382 V CA 1.982 64.287 62.300 0.009 0.000 1.037 382 V CB -0.568 31.301 31.823 0.077 0.000 0.682 382 V HN 0.643 nan 8.190 nan 0.000 0.463 383 E N 1.445 121.643 120.200 -0.003 0.000 2.472 383 E HA -0.140 4.209 4.350 -0.001 0.000 0.200 383 E C 1.756 178.344 176.600 -0.019 0.000 1.046 383 E CA 1.487 57.880 56.400 -0.011 0.000 0.871 383 E CB -0.342 29.352 29.700 -0.009 0.000 0.806 383 E HN 0.595 nan 8.360 nan 0.000 0.533 384 V N -0.462 119.439 119.914 -0.022 0.000 2.788 384 V HA 0.053 4.172 4.120 -0.001 0.000 0.251 384 V C 1.458 177.533 176.094 -0.033 0.000 1.068 384 V CA 0.200 62.483 62.300 -0.028 0.000 1.090 384 V CB -0.809 30.996 31.823 -0.030 0.000 0.710 384 V HN 0.118 nan 8.190 nan 0.000 0.467 385 L N 1.429 122.633 121.223 -0.033 0.000 2.479 385 L HA 0.205 4.544 4.340 -0.001 0.000 0.270 385 L C 0.799 177.646 176.870 -0.038 0.000 1.236 385 L CA 0.082 54.899 54.840 -0.038 0.000 0.823 385 L CB -0.057 41.979 42.059 -0.038 0.000 1.098 385 L HN 0.200 nan 8.230 nan 0.000 0.500 386 S N 0.244 115.920 115.700 -0.040 0.000 2.562 386 S HA -0.027 4.442 4.470 -0.001 0.000 0.281 386 S C 0.579 175.156 174.600 -0.038 0.000 1.333 386 S CA -0.652 57.526 58.200 -0.038 0.000 1.052 386 S CB 0.852 64.029 63.200 -0.038 0.000 0.884 386 S HN 0.542 nan 8.310 nan 0.000 0.506 387 D N 1.919 122.297 120.400 -0.036 0.000 2.280 387 D HA -0.172 4.467 4.640 -0.001 0.000 0.206 387 D C 1.875 178.150 176.300 -0.041 0.000 0.988 387 D CA 1.528 55.505 54.000 -0.039 0.000 0.886 387 D CB -0.026 40.753 40.800 -0.035 0.000 0.914 387 D HN 0.865 nan 8.370 nan 0.000 0.473 388 E N 0.068 120.246 120.200 -0.037 0.000 2.102 388 E HA -0.081 4.268 4.350 -0.001 0.000 0.190 388 E C 1.137 177.715 176.600 -0.037 0.000 0.971 388 E CA 0.694 57.074 56.400 -0.033 0.000 0.821 388 E CB -0.248 29.435 29.700 -0.028 0.000 0.777 388 E HN 0.037 nan 8.360 nan 0.000 0.460 389 D N 0.914 121.288 120.400 -0.044 0.000 2.178 389 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 389 D C 1.944 178.214 176.300 -0.050 0.000 0.974 389 D CA 0.862 54.831 54.000 -0.052 0.000 0.841 389 D CB -0.072 40.694 40.800 -0.057 0.000 0.953 389 D HN 0.093 nan 8.370 nan 0.000 0.478 390 R N 0.306 120.777 120.500 -0.048 0.000 2.081 390 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 390 R C 2.176 178.436 176.300 -0.067 0.000 1.131 390 R CA 1.465 57.535 56.100 -0.050 0.000 0.960 390 R CB -0.184 30.087 30.300 -0.049 0.000 0.856 390 R HN 0.136 nan 8.270 nan 0.000 0.436 391 S N 0.022 115.677 115.700 -0.074 0.000 2.344 391 S HA -0.136 4.333 4.470 -0.001 0.000 0.217 391 S C 2.079 176.643 174.600 -0.061 0.000 1.033 391 S CA 1.341 59.474 58.200 -0.111 0.000 1.017 391 S CB -0.393 62.757 63.200 -0.083 0.000 0.941 391 S HN 0.473 nan 8.310 nan 0.000 0.430 392 A N 1.813 124.638 122.820 0.008 0.000 2.084 392 A HA -0.021 4.299 4.320 -0.001 0.000 0.221 392 A C 2.213 179.825 177.584 0.045 0.000 1.161 392 A CA 1.554 53.628 52.037 0.062 0.000 0.653 392 A CB -0.807 18.190 19.000 -0.006 0.000 0.802 392 A HN 0.583 nan 8.150 nan 0.000 0.457 393 L N -0.600 120.622 121.223 -0.002 0.000 2.022 393 L HA 0.046 4.385 4.340 -0.001 0.000 0.204 393 L C 2.565 179.458 176.870 0.039 0.000 1.076 393 L CA 2.396 57.236 54.840 -0.001 0.000 0.749 393 L CB -1.482 40.568 42.059 -0.016 0.000 0.903 393 L HN 0.364 nan 8.230 nan 0.000 0.439 394 A N -1.593 121.222 122.820 -0.009 0.000 2.209 394 A HA -0.138 4.181 4.320 -0.001 0.000 0.212 394 A C 2.085 179.687 177.584 0.030 0.000 1.158 394 A CA 0.585 52.602 52.037 -0.033 0.000 0.742 394 A CB -0.763 18.169 19.000 -0.113 0.000 0.790 394 A HN 0.522 nan 8.150 nan 0.000 0.472 395 F N -0.621 119.322 119.950 -0.010 0.000 2.416 395 F HA 0.047 4.573 4.527 -0.001 0.000 0.296 395 F C 2.289 178.117 175.800 0.047 0.000 1.099 395 F CA 0.375 58.380 58.000 0.008 0.000 1.427 395 F CB 0.249 39.258 39.000 0.015 0.000 1.079 395 F HN 0.298 nan 8.300 nan 0.000 0.536 396 A N -0.038 122.943 122.820 0.268 0.000 2.291 396 A HA 0.153 4.472 4.320 -0.001 0.000 0.220 396 A C 1.687 179.398 177.584 0.211 0.000 1.262 396 A CA 0.179 52.380 52.037 0.272 0.000 0.867 396 A CB -1.002 18.159 19.000 0.270 0.000 0.888 396 A HN 0.162 nan 8.150 nan 0.000 0.487 397 V N 0.458 120.443 119.914 0.118 0.000 2.214 397 V HA -0.218 3.901 4.120 -0.001 0.000 0.244 397 V C 1.676 177.843 176.094 0.122 0.000 1.045 397 V CA 1.652 63.947 62.300 -0.008 0.000 0.993 397 V CB -1.524 30.248 31.823 -0.084 0.000 0.633 397 V HN 0.670 nan 8.190 nan 0.000 0.449 398 V N 0.024 119.984 119.914 0.076 0.000 2.747 398 V HA 0.118 4.237 4.120 -0.001 0.000 0.240 398 V C -0.160 175.987 176.094 0.089 0.000 1.001 398 V CA 0.554 62.856 62.300 0.004 0.000 1.214 398 V CB -1.564 30.224 31.823 -0.059 0.000 1.074 398 V HN 0.471 nan 8.190 nan 0.000 0.481 399 M N 5.453 125.160 119.600 0.179 0.000 2.880 399 M HA 0.667 5.146 4.480 -0.001 0.000 0.269 399 M C -3.094 173.281 176.300 0.125 0.000 1.248 399 M CA -2.173 53.221 55.300 0.157 0.000 0.821 399 M CB 2.811 35.499 32.600 0.147 0.000 1.650 399 M HN 0.268 nan 8.290 nan 0.000 0.479 400 P HA 0.445 nan 4.420 nan 0.000 0.295 400 P C -2.891 174.215 177.300 -0.322 0.000 1.354 400 P CA -1.409 61.426 63.100 -0.441 0.000 0.814 400 P CB 0.191 31.307 31.700 -0.973 0.000 0.935 401 P HA 0.176 nan 4.420 nan 0.000 0.278 401 P C 0.899 178.008 177.300 -0.318 0.000 1.238 401 P CA 0.554 63.419 63.100 -0.392 0.000 0.794 401 P CB 0.398 31.570 31.700 -0.880 0.000 0.955 402 G N 0.754 109.455 108.800 -0.166 0.000 2.273 402 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.280 402 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.280 402 G C -0.228 174.664 174.900 -0.014 0.000 1.047 402 G CA -0.006 45.088 45.100 -0.010 0.000 0.869 402 G HN 0.490 nan 8.290 nan 0.000 0.502 403 V N -0.557 119.303 119.914 -0.090 0.000 2.760 403 V HA 0.532 4.651 4.120 -0.001 0.000 0.309 403 V C -0.688 175.369 176.094 -0.061 0.000 1.077 403 V CA -1.140 61.086 62.300 -0.124 0.000 0.910 403 V CB 2.173 33.766 31.823 -0.383 0.000 1.008 403 V HN 0.205 nan 8.190 nan 0.000 0.424 404 D N 3.744 124.141 120.400 -0.005 0.000 2.274 404 D HA 0.605 5.244 4.640 -0.001 0.000 0.239 404 D C -0.542 175.770 176.300 0.019 0.000 1.104 404 D CA 0.116 54.152 54.000 0.060 0.000 0.840 404 D CB 1.380 42.223 40.800 0.073 0.000 1.100 404 D HN 0.656 nan 8.370 nan 0.000 0.477 405 I N 0.806 121.408 120.570 0.053 0.000 2.802 405 I HA 0.606 4.775 4.170 -0.001 0.000 0.298 405 I C -2.945 173.259 176.117 0.144 0.000 1.176 405 I CA -2.643 58.612 61.300 -0.076 0.000 1.025 405 I CB 2.897 40.602 38.000 -0.491 0.000 1.243 405 I HN 0.040 nan 8.210 nan 0.000 0.424 406 P HA 0.110 nan 4.420 nan 0.000 0.271 406 P C 0.746 178.259 177.300 0.355 0.000 1.233 406 P CA -0.340 62.874 63.100 0.190 0.000 0.789 406 P CB 0.921 32.670 31.700 0.082 0.000 0.951 407 V N 1.211 121.328 119.914 0.338 0.000 2.283 407 V HA -0.216 3.903 4.120 -0.001 0.000 0.243 407 V C 2.130 178.382 176.094 0.264 0.000 1.039 407 V CA 1.916 64.438 62.300 0.370 0.000 1.016 407 V CB -0.948 31.027 31.823 0.255 0.000 0.650 407 V HN 0.508 nan 8.190 nan 0.000 0.449 408 K N 0.071 120.564 120.400 0.155 0.000 2.063 408 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 408 K C 1.941 178.592 176.600 0.084 0.000 1.048 408 K CA 1.082 57.426 56.287 0.095 0.000 0.928 408 K CB -0.766 31.764 32.500 0.049 0.000 0.713 408 K HN 0.158 nan 8.250 nan 0.000 0.442 409 L N -0.404 120.857 121.223 0.064 0.000 2.349 409 L HA -0.218 4.121 4.340 -0.001 0.000 0.220 409 L C 1.516 178.359 176.870 -0.046 0.000 1.130 409 L CA 1.545 56.369 54.840 -0.027 0.000 0.791 409 L CB -0.529 41.469 42.059 -0.101 0.000 0.918 409 L HN 0.444 nan 8.230 nan 0.000 0.444 410 W N -0.677 120.619 121.300 -0.006 0.000 2.640 410 W HA 0.017 4.676 4.660 -0.002 0.000 0.271 410 W C 2.474 178.966 176.519 -0.046 0.000 1.218 410 W CA 0.521 57.849 57.345 -0.029 0.000 1.382 410 W CB -0.385 29.049 29.460 -0.043 0.000 1.067 410 W HN 0.105 nan 8.180 nan 0.000 0.590 411 S N 0.306 116.123 115.700 0.195 0.000 2.441 411 S HA -0.224 4.245 4.470 -0.001 0.000 0.242 411 S C 1.645 176.269 174.600 0.040 0.000 1.018 411 S CA 1.537 59.792 58.200 0.093 0.000 0.988 411 S CB -0.631 62.609 63.200 0.066 0.000 0.778 411 S HN 0.213 nan 8.310 nan 0.000 0.498 412 C N 0.601 119.916 119.300 0.024 0.000 2.466 412 C HA 0.042 4.501 4.460 -0.001 0.000 0.278 412 C C 2.655 177.597 174.990 -0.081 0.000 1.288 412 C CA 0.566 59.569 59.018 -0.025 0.000 1.722 412 C CB -1.417 26.303 27.740 -0.032 0.000 2.017 412 C HN 0.648 nan 8.230 nan 0.000 0.488 413 V N -1.955 117.897 119.914 -0.104 0.000 3.608 413 V HA 0.335 4.454 4.120 -0.001 0.000 0.269 413 V C 0.525 176.376 176.094 -0.406 0.000 1.245 413 V CA 0.492 62.615 62.300 -0.295 0.000 1.138 413 V CB -0.687 30.973 31.823 -0.272 0.000 0.841 413 V HN 0.284 nan 8.190 nan 0.000 0.451 414 I N 1.927 122.429 120.570 -0.113 0.000 2.499 414 I HA 0.588 4.757 4.170 -0.001 0.000 0.296 414 I C -1.950 174.201 176.117 0.056 0.000 0.992 414 I CA -2.416 58.897 61.300 0.022 0.000 1.297 414 I CB 1.046 39.079 38.000 0.055 0.000 1.410 414 I HN 0.154 nan 8.210 nan 0.000 0.507 415 P HA 0.551 nan 4.420 nan 0.000 0.274 415 P C -0.994 176.340 177.300 0.057 0.000 1.246 415 P CA -0.234 62.939 63.100 0.122 0.000 0.795 415 P CB 0.884 32.674 31.700 0.150 0.000 1.006 427 D N 2.354 122.764 120.400 0.016 0.000 2.994 427 D HA 0.100 4.739 4.640 -0.001 0.000 0.240 427 D C 0.229 176.545 176.300 0.027 0.000 1.195 427 D CA 0.092 54.105 54.000 0.022 0.000 0.957 427 D CB 0.425 41.243 40.800 0.031 0.000 1.105 427 D HN 0.449 nan 8.370 nan 0.000 0.477 428 D N -0.234 120.177 120.400 0.019 0.000 2.355 428 D HA -0.097 4.542 4.640 -0.001 0.000 0.206 428 D C 1.648 177.954 176.300 0.011 0.000 1.010 428 D CA 0.145 54.158 54.000 0.020 0.000 0.875 428 D CB 0.518 41.327 40.800 0.015 0.000 0.966 428 D HN 0.227 nan 8.370 nan 0.000 0.512 429 E N 1.509 121.710 120.200 0.002 0.000 2.158 429 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 429 E C 2.020 178.604 176.600 -0.027 0.000 0.982 429 E CA 0.438 56.832 56.400 -0.010 0.000 0.823 429 E CB 0.011 29.706 29.700 -0.009 0.000 0.766 429 E HN -0.079 nan 8.360 nan 0.000 0.468 430 V N 1.150 121.049 119.914 -0.024 0.000 2.261 430 V HA -0.298 3.821 4.120 -0.001 0.000 0.246 430 V C 2.436 178.467 176.094 -0.105 0.000 1.047 430 V CA 1.871 64.135 62.300 -0.060 0.000 1.015 430 V CB -1.138 30.672 31.823 -0.021 0.000 0.642 430 V HN 0.475 nan 8.190 nan 0.000 0.446 431 A N 0.188 122.993 122.820 -0.025 0.000 1.927 431 A HA -0.334 3.985 4.320 -0.001 0.000 0.220 431 A C 1.965 179.553 177.584 0.005 0.000 1.185 431 A CA 2.410 54.469 52.037 0.037 0.000 0.639 431 A CB -0.713 18.343 19.000 0.093 0.000 0.820 431 A HN 0.619 nan 8.150 nan 0.000 0.451 432 D N -0.874 119.513 120.400 -0.022 0.000 2.097 432 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 432 D C 2.226 178.486 176.300 -0.067 0.000 0.984 432 D CA 1.206 55.191 54.000 -0.026 0.000 0.826 432 D CB -0.381 40.405 40.800 -0.024 0.000 0.973 432 D HN 0.477 nan 8.370 nan 0.000 0.460 433 R N 0.328 120.763 120.500 -0.108 0.000 2.070 433 R HA -0.019 4.320 4.340 -0.001 0.000 0.233 433 R C 2.663 178.835 176.300 -0.214 0.000 1.137 433 R CA 0.550 56.568 56.100 -0.138 0.000 0.945 433 R CB -0.537 29.684 30.300 -0.133 0.000 0.845 433 R HN 0.149 nan 8.270 nan 0.000 0.430 434 L N 0.917 121.911 121.223 -0.383 0.000 2.051 434 L HA -0.296 4.043 4.340 -0.001 0.000 0.214 434 L C 2.541 179.209 176.870 -0.337 0.000 1.076 434 L CA 1.426 55.846 54.840 -0.700 0.000 0.758 434 L CB -0.340 40.765 42.059 -1.589 0.000 0.890 434 L HN 0.142 nan 8.230 nan 0.000 0.433 435 K N -0.316 120.064 120.400 -0.032 0.000 2.031 435 K HA -0.150 4.169 4.320 -0.001 0.000 0.205 435 K C 2.124 178.721 176.600 -0.005 0.000 1.049 435 K CA 1.071 57.431 56.287 0.121 0.000 0.939 435 K CB -0.327 32.246 32.500 0.122 0.000 0.717 435 K HN 0.192 nan 8.250 nan 0.000 0.438 436 R N 0.904 121.373 120.500 -0.051 0.000 2.154 436 R HA -0.128 4.211 4.340 -0.001 0.000 0.248 436 R C 2.306 178.559 176.300 -0.077 0.000 1.155 436 R CA 1.114 57.172 56.100 -0.070 0.000 0.979 436 R CB -0.169 30.087 30.300 -0.074 0.000 0.869 436 R HN 0.107 nan 8.270 nan 0.000 0.452 437 L N -0.367 120.799 121.223 -0.094 0.000 1.993 437 L HA -0.074 4.266 4.340 -0.001 0.000 0.206 437 L C 1.403 178.240 176.870 -0.054 0.000 1.074 437 L CA 1.152 55.938 54.840 -0.090 0.000 0.746 437 L CB -0.487 41.488 42.059 -0.141 0.000 0.896 437 L HN 0.159 nan 8.230 nan 0.000 0.435 438 S N -0.090 115.598 115.700 -0.020 0.000 3.844 438 S HA 0.086 4.556 4.470 -0.001 0.000 0.193 438 S C 0.449 175.041 174.600 -0.013 0.000 1.255 438 S CA 0.116 58.328 58.200 0.019 0.000 1.028 438 S CB 0.246 63.505 63.200 0.099 0.000 1.436 438 S HN 0.299 nan 8.310 nan 0.000 0.442 439 K N 1.065 121.434 120.400 -0.051 0.000 2.954 439 K HA 0.167 4.486 4.320 -0.001 0.000 0.181 439 K C 0.238 176.774 176.600 -0.107 0.000 2.022 439 K CA -0.079 56.147 56.287 -0.103 0.000 1.440 439 K CB 0.048 32.481 32.500 -0.111 0.000 2.298 439 K HN 0.216 nan 8.250 nan 0.000 0.597 440 R N 0.735 121.185 120.500 -0.084 0.000 4.609 440 R HA 0.305 4.644 4.340 -0.001 0.000 0.235 440 R C -0.151 176.115 176.300 -0.056 0.000 1.836 440 R CA 0.727 56.781 56.100 -0.077 0.000 1.564 440 R CB 0.170 30.425 30.300 -0.074 0.000 1.382 440 R HN 0.554 nan 8.270 nan 0.000 0.776 441 G N -0.343 108.431 108.800 -0.043 0.000 2.227 441 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.168 441 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.168 441 G C 0.064 174.955 174.900 -0.014 0.000 1.006 441 G CA -0.405 44.678 45.100 -0.028 0.000 0.684 441 G HN 0.594 nan 8.290 nan 0.000 0.489 442 A N -1.161 121.653 122.820 -0.009 0.000 1.581 442 A HA 0.018 4.337 4.320 -0.001 0.000 0.205 442 A C 0.885 178.478 177.584 0.016 0.000 1.265 442 A CA 1.595 53.639 52.037 0.013 0.000 0.666 442 A CB -1.338 17.687 19.000 0.041 0.000 1.155 442 A HN 1.416 nan 8.150 nan 0.000 0.200 443 L N 0.687 121.920 121.223 0.017 0.000 3.174 443 L HA 0.349 4.688 4.340 -0.001 0.000 0.283 443 L C 1.025 177.925 176.870 0.050 0.000 1.187 443 L CA 0.233 55.085 54.840 0.021 0.000 1.018 443 L CB 0.099 42.154 42.059 -0.007 0.000 1.433 443 L HN 0.657 nan 8.230 nan 0.000 0.593 444 L N -2.622 118.641 121.223 0.067 0.000 3.647 444 L HA 0.505 4.844 4.340 -0.001 0.000 0.218 444 L C -0.029 176.927 176.870 0.144 0.000 1.339 444 L CA -0.302 54.606 54.840 0.113 0.000 1.749 444 L CB 0.109 42.216 42.059 0.081 0.000 1.942 444 L HN -0.115 nan 8.230 nan 0.000 0.740 445 S N -0.740 115.071 115.700 0.184 0.000 2.574 445 S HA 0.496 4.965 4.470 -0.001 0.000 0.331 445 S C -0.839 173.742 174.600 -0.032 0.000 0.901 445 S CA -0.216 58.045 58.200 0.102 0.000 0.834 445 S CB 0.395 63.664 63.200 0.115 0.000 1.102 445 S HN 0.695 nan 8.310 nan 0.000 0.473 446 G N 3.687 112.435 108.800 -0.087 0.000 2.977 446 G HA2 0.432 4.391 3.960 -0.001 0.000 0.306 446 G HA3 0.432 4.391 3.960 -0.001 0.000 0.306 446 G C -0.297 174.476 174.900 -0.212 0.000 0.885 446 G CA -0.465 44.495 45.100 -0.232 0.000 1.649 446 G HN 0.675 nan 8.290 nan 0.000 0.514 447 K N 1.782 122.008 120.400 -0.291 0.000 2.263 447 K HA 0.455 4.774 4.320 -0.001 0.000 0.272 447 K C 1.036 177.528 176.600 -0.180 0.000 1.033 447 K CA -0.832 55.354 56.287 -0.168 0.000 0.884 447 K CB 1.202 33.645 32.500 -0.095 0.000 1.107 447 K HN 0.214 nan 8.250 nan 0.000 0.460 448 R N 3.723 124.155 120.500 -0.113 0.000 2.046 448 R HA 0.172 4.511 4.340 -0.001 0.000 0.223 448 R C 0.664 176.932 176.300 -0.053 0.000 1.179 448 R CA 1.699 57.746 56.100 -0.089 0.000 0.952 448 R CB -0.109 30.156 30.300 -0.059 0.000 0.843 448 R HN 0.853 nan 8.270 nan 0.000 0.439 449 M N -0.155 119.427 119.600 -0.030 0.000 2.654 449 M HA 0.470 4.949 4.480 -0.001 0.000 0.310 449 M C -1.768 174.529 176.300 -0.004 0.000 1.211 449 M CA -1.820 53.472 55.300 -0.012 0.000 0.947 449 M CB 1.613 34.211 32.600 -0.003 0.000 1.647 449 M HN -0.111 nan 8.290 nan 0.000 0.481 450 P HA -0.091 nan 4.420 nan 0.000 0.216 450 P C 0.029 177.333 177.300 0.006 0.000 1.153 450 P CA 1.374 64.480 63.100 0.010 0.000 0.858 450 P CB -0.378 31.333 31.700 0.018 0.000 0.789 451 V N -3.523 116.395 119.914 0.007 0.000 2.808 451 V HA 0.353 4.472 4.120 -0.001 0.000 0.308 451 V C 0.283 176.379 176.094 0.002 0.000 1.099 451 V CA -1.801 60.504 62.300 0.009 0.000 0.920 451 V CB 1.317 33.153 31.823 0.021 0.000 1.014 451 V HN 0.007 nan 8.190 nan 0.000 0.425 452 L N 1.900 123.119 121.223 -0.007 0.000 4.348 452 L HA 0.307 4.646 4.340 -0.001 0.000 0.323 452 L C 0.620 177.491 176.870 0.001 0.000 1.380 452 L CA 0.919 55.737 54.840 -0.036 0.000 1.142 452 L CB -2.032 40.028 42.059 0.001 0.000 1.551 452 L HN 0.932 nan 8.230 nan 0.000 0.380 453 T N -1.548 112.974 114.554 -0.052 0.000 2.908 453 T HA 0.773 5.122 4.350 -0.001 0.000 0.290 453 T C -0.253 174.418 174.700 -0.049 0.000 1.034 453 T CA -0.669 61.498 62.100 0.112 0.000 1.010 453 T CB 1.885 70.841 68.868 0.147 0.000 1.068 453 T HN 0.227 nan 8.240 nan 0.000 0.481 454 F N 0.348 120.485 119.950 0.312 0.000 2.611 454 F HA 0.835 5.361 4.527 -0.001 0.000 0.374 454 F C 0.573 176.634 175.800 0.434 0.000 1.110 454 F CA -1.143 56.948 58.000 0.151 0.000 1.090 454 F CB 1.669 40.433 39.000 -0.394 0.000 1.388 454 F HN 0.706 nan 8.300 nan 0.000 0.501 455 K N 0.145 120.867 120.400 0.537 0.000 2.469 455 K HA 0.710 5.029 4.320 -0.001 0.000 0.268 455 K C -2.068 174.748 176.600 0.360 0.000 1.027 455 K CA -0.779 55.757 56.287 0.416 0.000 0.893 455 K CB 2.946 35.575 32.500 0.216 0.000 1.460 455 K HN 0.677 nan 8.250 nan 0.000 0.449 456 I N 2.422 123.140 120.570 0.247 0.000 2.571 456 I HA 0.263 4.432 4.170 -0.001 0.000 0.286 456 I C -1.430 174.739 176.117 0.086 0.000 1.134 456 I CA -0.600 60.815 61.300 0.191 0.000 1.052 456 I CB 1.574 39.730 38.000 0.261 0.000 1.237 456 I HN 0.672 nan 8.210 nan 0.000 0.435 457 D N 4.984 125.442 120.400 0.096 0.000 2.371 457 D HA 0.140 4.779 4.640 -0.001 0.000 0.242 457 D C 0.646 176.983 176.300 0.062 0.000 1.218 457 D CA 0.083 54.127 54.000 0.073 0.000 0.945 457 D CB 0.596 41.468 40.800 0.121 0.000 1.137 457 D HN 0.538 nan 8.370 nan 0.000 0.464 458 H N -0.674 118.476 119.070 0.133 0.000 2.403 458 H HA 0.027 4.582 4.556 -0.002 0.000 0.298 458 H C 1.770 177.215 175.328 0.195 0.000 1.059 458 H CA 0.926 57.058 56.048 0.140 0.000 1.363 458 H CB -0.062 29.757 29.762 0.096 0.000 1.410 458 H HN 0.361 nan 8.280 nan 0.000 0.528 459 I N 0.012 120.747 120.570 0.274 0.000 2.142 459 I HA -0.212 3.958 4.170 -0.001 0.000 0.240 459 I C 1.841 178.083 176.117 0.208 0.000 1.078 459 I CA 1.096 62.518 61.300 0.203 0.000 1.343 459 I CB -0.255 37.829 38.000 0.141 0.000 1.046 459 I HN 0.203 nan 8.210 nan 0.000 0.405 460 I N 1.200 121.880 120.570 0.183 0.000 3.518 460 I HA -0.149 4.020 4.170 -0.001 0.000 0.305 460 I C 1.247 177.519 176.117 0.258 0.000 1.204 460 I CA 1.196 62.594 61.300 0.164 0.000 1.211 460 I CB -0.980 37.088 38.000 0.113 0.000 1.018 460 I HN 0.506 nan 8.210 nan 0.000 0.500 461 H N 0.273 119.460 119.070 0.195 0.000 1.775 461 H HA 0.112 4.667 4.556 -0.001 0.000 0.164 461 H C 1.597 177.058 175.328 0.221 0.000 0.968 461 H CA 0.106 56.268 56.048 0.189 0.000 1.007 461 H CB 0.235 30.082 29.762 0.141 0.000 0.967 461 H HN 0.221 nan 8.280 nan 0.000 0.327 462 M N 0.997 120.869 119.600 0.453 0.000 2.706 462 M HA -0.043 4.436 4.480 -0.001 0.000 0.251 462 M C 1.659 178.123 176.300 0.274 0.000 1.070 462 M CA 0.883 56.409 55.300 0.376 0.000 1.073 462 M CB -0.244 32.525 32.600 0.282 0.000 1.449 462 M HN 0.160 nan 8.290 nan 0.000 0.531 463 F N 0.682 120.688 119.950 0.094 0.000 2.074 463 F HA -0.067 4.459 4.527 -0.002 0.000 0.290 463 F C 1.643 177.459 175.800 0.026 0.000 1.118 463 F CA 1.444 59.465 58.000 0.035 0.000 1.199 463 F CB -0.434 38.574 39.000 0.013 0.000 1.012 463 F HN -0.076 nan 8.300 nan 0.000 0.472 464 L N 0.756 121.966 121.223 -0.022 0.000 1.963 464 L HA -0.342 3.998 4.340 -0.001 0.000 0.220 464 L C 2.548 179.296 176.870 -0.203 0.000 1.076 464 L CA 2.191 56.921 54.840 -0.184 0.000 0.772 464 L CB -1.082 40.895 42.059 -0.137 0.000 0.892 464 L HN 0.170 nan 8.230 nan 0.000 0.435 465 K N -0.206 120.093 120.400 -0.168 0.000 1.984 465 K HA -0.296 4.023 4.320 -0.001 0.000 0.232 465 K C 1.058 177.581 176.600 -0.129 0.000 1.016 465 K CA 2.424 58.654 56.287 -0.095 0.000 1.010 465 K CB -0.399 32.179 32.500 0.130 0.000 0.739 465 K HN 0.410 nan 8.250 nan 0.000 0.450 466 H N -0.851 118.143 119.070 -0.126 0.000 2.820 466 H HA 0.191 4.746 4.556 -0.002 0.000 0.291 466 H C 0.357 175.552 175.328 -0.222 0.000 1.412 466 H CA 0.016 55.983 56.048 -0.135 0.000 1.176 466 H CB 0.482 30.190 29.762 -0.091 0.000 1.467 466 H HN 0.033 nan 8.280 nan 0.000 0.517 467 V N -0.802 119.006 119.914 -0.178 0.000 3.110 467 V HA -0.005 4.114 4.120 -0.001 0.000 0.233 467 V C 0.339 176.308 176.094 -0.208 0.000 1.550 467 V CA 0.298 62.434 62.300 -0.274 0.000 1.186 467 V CB 0.734 32.219 31.823 -0.564 0.000 1.052 467 V HN 0.364 nan 8.190 nan 0.000 0.452 468 V N 0.203 120.007 119.914 -0.184 0.000 2.649 468 V HA 0.518 4.638 4.120 -0.001 0.000 0.292 468 V C -0.291 175.734 176.094 -0.115 0.000 1.055 468 V CA -0.720 61.493 62.300 -0.144 0.000 1.023 468 V CB 0.722 32.467 31.823 -0.130 0.000 0.992 468 V HN 0.432 nan 8.190 nan 0.000 0.480 469 D N 3.419 123.757 120.400 -0.103 0.000 2.531 469 D HA 0.296 4.935 4.640 -0.001 0.000 0.239 469 D C 1.318 177.577 176.300 -0.069 0.000 1.144 469 D CA 0.961 54.912 54.000 -0.082 0.000 0.869 469 D CB 1.158 41.912 40.800 -0.076 0.000 1.160 469 D HN 0.912 nan 8.370 nan 0.000 0.484 470 A N 3.244 126.026 122.820 -0.063 0.000 1.940 470 A HA -0.358 3.961 4.320 -0.001 0.000 0.221 470 A C 1.944 179.504 177.584 -0.040 0.000 1.190 470 A CA 1.896 53.898 52.037 -0.057 0.000 0.647 470 A CB -0.596 18.374 19.000 -0.051 0.000 0.821 470 A HN 0.760 nan 8.150 nan 0.000 0.457 471 Q N -1.046 118.736 119.800 -0.031 0.000 2.167 471 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 471 Q C 1.689 177.692 176.000 0.004 0.000 0.970 471 Q CA 1.737 57.531 55.803 -0.014 0.000 0.855 471 Q CB -0.263 28.467 28.738 -0.012 0.000 0.911 471 Q HN 0.643 nan 8.270 nan 0.000 0.438 472 T N 0.658 115.208 114.554 -0.006 0.000 3.025 472 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 472 T C 1.460 176.211 174.700 0.086 0.000 1.126 472 T CA 0.833 62.949 62.100 0.026 0.000 1.105 472 T CB -0.022 68.810 68.868 -0.061 0.000 0.884 472 T HN 0.224 nan 8.240 nan 0.000 0.522 473 I N 1.188 121.773 120.570 0.026 0.000 2.512 473 I HA 0.163 4.332 4.170 -0.001 0.000 0.247 473 I C 2.733 178.852 176.117 0.002 0.000 1.094 473 I CA 0.631 61.939 61.300 0.014 0.000 1.427 473 I CB -0.648 37.331 38.000 -0.035 0.000 1.149 473 I HN 0.092 nan 8.210 nan 0.000 0.438 474 A N 0.689 123.505 122.820 -0.007 0.000 2.032 474 A HA -0.270 4.049 4.320 -0.001 0.000 0.221 474 A C 2.027 179.618 177.584 0.010 0.000 1.165 474 A CA 2.384 54.416 52.037 -0.008 0.000 0.645 474 A CB -1.182 17.814 19.000 -0.007 0.000 0.807 474 A HN 0.597 nan 8.150 nan 0.000 0.453 475 N N -0.927 117.799 118.700 0.043 0.000 2.250 475 N HA -0.029 4.710 4.740 -0.001 0.000 0.181 475 N C 1.836 177.376 175.510 0.049 0.000 1.017 475 N CA 0.602 53.693 53.050 0.069 0.000 0.866 475 N CB -0.214 38.350 38.487 0.128 0.000 0.985 475 N HN 0.492 nan 8.380 nan 0.000 0.429 476 G N 1.154 109.993 108.800 0.065 0.000 2.421 476 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.217 476 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.217 476 G C 1.464 176.309 174.900 -0.092 0.000 1.143 476 G CA 0.242 45.291 45.100 -0.084 0.000 0.784 476 G HN 0.162 nan 8.290 nan 0.000 0.541 477 I N 0.859 121.396 120.570 -0.054 0.000 2.286 477 I HA -0.112 4.057 4.170 -0.001 0.000 0.245 477 I C 2.925 179.037 176.117 -0.009 0.000 1.104 477 I CA 0.819 62.088 61.300 -0.051 0.000 1.397 477 I CB -0.154 37.797 38.000 -0.083 0.000 1.072 477 I HN 0.079 nan 8.210 nan 0.000 0.417 478 S N 1.118 116.812 115.700 -0.011 0.000 2.356 478 S HA -0.094 4.375 4.470 -0.001 0.000 0.223 478 S C 2.014 176.606 174.600 -0.013 0.000 1.032 478 S CA 1.195 59.395 58.200 -0.001 0.000 1.005 478 S CB -0.337 62.865 63.200 0.003 0.000 0.867 478 S HN 0.327 nan 8.310 nan 0.000 0.449 479 I N 1.317 121.863 120.570 -0.040 0.000 2.502 479 I HA -0.203 3.966 4.170 -0.001 0.000 0.258 479 I C 2.222 178.299 176.117 -0.067 0.000 1.172 479 I CA 0.674 61.932 61.300 -0.071 0.000 1.430 479 I CB -0.364 37.546 38.000 -0.151 0.000 1.086 479 I HN 0.237 nan 8.210 nan 0.000 0.440 480 L N 0.993 122.189 121.223 -0.045 0.000 1.973 480 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 480 L C 2.371 179.249 176.870 0.012 0.000 1.073 480 L CA 1.876 56.711 54.840 -0.008 0.000 0.746 480 L CB -0.438 41.656 42.059 0.059 0.000 0.891 480 L HN -0.008 nan 8.230 nan 0.000 0.433 481 E N -0.369 119.851 120.200 0.033 0.000 2.130 481 E HA -0.262 4.087 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 1.347 57.770 56.400 0.037 0.000 0.806 481 E CB -0.176 29.551 29.700 0.045 0.000 0.738 481 E HN 0.501 nan 8.360 nan 0.000 0.459 482 Q N 0.270 120.073 119.800 0.004 0.000 1.967 482 Q HA -0.221 4.118 4.340 -0.001 0.000 0.210 482 Q C 2.267 178.263 176.000 -0.006 0.000 1.005 482 Q CA 1.722 57.524 55.803 -0.002 0.000 0.862 482 Q CB -0.619 28.113 28.738 -0.010 0.000 0.939 482 Q HN 0.145 nan 8.270 nan 0.000 0.417 483 R N 0.803 121.295 120.500 -0.013 0.000 2.096 483 R HA -0.069 4.270 4.340 -0.001 0.000 0.229 483 R C 1.539 177.829 176.300 -0.015 0.000 1.134 483 R CA 0.377 56.467 56.100 -0.016 0.000 0.917 483 R CB -1.292 28.995 30.300 -0.021 0.000 0.832 483 R HN 0.231 nan 8.270 nan 0.000 0.430 484 L N 1.435 122.650 121.223 -0.013 0.000 8.006 484 L HA -0.221 4.118 4.340 -0.001 0.000 0.330 484 L C -0.807 176.058 176.870 -0.009 0.000 1.798 484 L CA 0.339 55.173 54.840 -0.010 0.000 0.507 484 L CB -0.642 41.425 42.059 0.012 0.000 1.404 484 L HN 0.269 nan 8.230 nan 0.000 0.206 485 L N -2.382 118.826 121.223 -0.025 0.000 2.382 485 L HA 0.472 4.811 4.340 -0.001 0.000 0.313 485 L C 0.137 176.989 176.870 -0.030 0.000 0.638 485 L CA -0.229 54.597 54.840 -0.023 0.000 1.170 485 L CB -0.181 41.875 42.059 -0.004 0.000 1.705 485 L HN 0.094 nan 8.230 nan 0.000 0.334 486 E N -0.741 119.447 120.200 -0.020 0.000 2.585 486 E HA -0.089 4.260 4.350 -0.001 0.000 0.265 486 E C -0.170 176.417 176.600 -0.022 0.000 1.290 486 E CA 0.433 56.821 56.400 -0.019 0.000 1.362 486 E CB -1.212 28.475 29.700 -0.022 0.000 1.958 486 E HN 0.623 nan 8.360 nan 0.000 0.594 522 T N -0.327 114.261 114.554 0.056 0.000 4.612 522 T HA 0.369 4.718 4.350 -0.001 0.000 0.226 522 T C -0.026 174.705 174.700 0.051 0.000 0.789 522 T CA -0.216 61.917 62.100 0.054 0.000 0.896 522 T CB -1.051 67.846 68.868 0.049 0.000 1.419 522 T HN 0.380 nan 8.240 nan 0.000 0.898 523 V N 2.402 122.350 119.914 0.056 0.000 2.737 523 V HA 0.325 4.444 4.120 -0.001 0.000 0.298 523 V C -0.301 175.835 176.094 0.069 0.000 1.163 523 V CA -1.435 60.901 62.300 0.060 0.000 0.925 523 V CB 1.907 33.767 31.823 0.062 0.000 1.037 523 V HN 0.629 nan 8.190 nan 0.000 0.433 524 I N 4.919 125.530 120.570 0.068 0.000 2.710 524 I HA 0.250 4.419 4.170 -0.001 0.000 0.286 524 I C 0.724 176.898 176.117 0.095 0.000 1.181 524 I CA 0.283 61.626 61.300 0.072 0.000 1.430 524 I CB 0.557 38.592 38.000 0.059 0.000 1.367 524 I HN 0.621 nan 8.210 nan 0.000 0.577 525 R N 8.181 128.744 120.500 0.105 0.000 2.288 525 R HA 0.299 4.638 4.340 -0.001 0.000 0.330 525 R C -2.044 174.336 176.300 0.133 0.000 1.069 525 R CA -1.112 55.082 56.100 0.157 0.000 0.941 525 R CB -0.144 30.248 30.300 0.154 0.000 0.998 525 R HN 0.545 nan 8.270 nan 0.000 0.452 526 P HA 0.038 nan 4.420 nan 0.000 0.296 526 P C -0.259 176.975 177.300 -0.110 0.000 1.295 526 P CA -0.153 62.940 63.100 -0.012 0.000 0.754 526 P CB 0.597 32.243 31.700 -0.091 0.000 1.311 527 E N -1.249 118.820 120.200 -0.218 0.000 2.498 527 E HA 0.026 4.376 4.350 -0.001 0.000 0.203 527 E C 0.697 177.078 176.600 -0.365 0.000 1.013 527 E CA 0.132 56.398 56.400 -0.223 0.000 0.927 527 E CB -0.476 29.138 29.700 -0.143 0.000 1.012 527 E HN 0.285 nan 8.360 nan 0.000 0.482 528 D N 0.355 120.355 120.400 -0.666 0.000 2.178 528 D HA -0.132 4.507 4.640 -0.001 0.000 0.201 528 D C 0.220 176.057 176.300 -0.772 0.000 0.980 528 D CA 1.019 54.497 54.000 -0.870 0.000 0.842 528 D CB -0.031 39.893 40.800 -1.460 0.000 0.948 528 D HN 0.332 nan 8.370 nan 0.000 0.472 529 F N -0.886 118.972 119.950 -0.152 0.000 2.597 529 F HA 0.361 4.887 4.527 -0.002 0.000 0.336 529 F C -2.029 173.551 175.800 -0.366 0.000 1.432 529 F CA -1.725 56.075 58.000 -0.333 0.000 1.120 529 F CB 1.220 40.202 39.000 -0.030 0.000 1.253 529 F HN -0.170 nan 8.300 nan 0.000 0.546 530 P HA 0.010 nan 4.420 nan 0.000 0.218 530 P C 1.220 178.394 177.300 -0.210 0.000 1.151 530 P CA 0.934 63.937 63.100 -0.162 0.000 0.850 530 P CB 0.312 31.932 31.700 -0.133 0.000 0.801 531 K N -0.211 120.011 120.400 -0.296 0.000 2.304 531 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 531 K C 0.195 176.728 176.600 -0.112 0.000 1.044 531 K CA 1.040 57.201 56.287 -0.210 0.000 0.932 531 K CB -0.691 31.685 32.500 -0.207 0.000 0.735 531 K HN 0.334 nan 8.250 nan 0.000 0.468 532 F N -0.653 119.307 119.950 0.017 0.000 2.493 532 F HA 0.382 4.908 4.527 -0.002 0.000 0.329 532 F C -0.006 175.779 175.800 -0.025 0.000 1.126 532 F CA -2.225 55.773 58.000 -0.003 0.000 0.937 532 F CB 0.620 39.620 39.000 -0.000 0.000 1.146 532 F HN -0.214 nan 8.300 nan 0.000 0.442 533 M N 0.420 120.132 119.600 0.187 0.000 2.738 533 M HA 0.404 4.883 4.480 -0.001 0.000 0.295 533 M C 0.817 177.100 176.300 -0.028 0.000 1.266 533 M CA 0.262 55.588 55.300 0.044 0.000 0.985 533 M CB 0.433 32.958 32.600 -0.125 0.000 1.365 533 M HN 0.676 nan 8.290 nan 0.000 0.492 534 Q N 1.185 120.990 119.800 0.008 0.000 2.369 534 Q HA 0.114 4.454 4.340 -0.001 0.000 0.206 534 Q C 1.735 177.645 176.000 -0.150 0.000 0.963 534 Q CA 1.044 56.788 55.803 -0.098 0.000 0.894 534 Q CB -0.102 28.521 28.738 -0.192 0.000 0.965 534 Q HN 0.839 nan 8.270 nan 0.000 0.475 535 L N -0.332 120.760 121.223 -0.218 0.000 2.042 535 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 535 L C 1.169 177.889 176.870 -0.250 0.000 1.076 535 L CA 1.392 56.049 54.840 -0.305 0.000 0.749 535 L CB -0.115 41.658 42.059 -0.477 0.000 0.893 535 L HN 0.400 nan 8.230 nan 0.000 0.432 536 H N -0.941 118.105 119.070 -0.040 0.000 2.526 536 H HA -0.013 4.542 4.556 -0.001 0.000 0.274 536 H C 1.654 176.995 175.328 0.021 0.000 0.999 536 H CA 0.162 56.211 56.048 0.001 0.000 1.157 536 H CB 0.221 29.734 29.762 -0.415 0.000 1.407 536 H HN 0.568 nan 8.280 nan 0.000 0.568 537 Q N 1.477 121.314 119.800 0.061 0.000 2.112 537 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 537 Q C 2.032 178.159 176.000 0.213 0.000 0.987 537 Q CA 1.225 57.096 55.803 0.114 0.000 0.858 537 Q CB 0.242 29.008 28.738 0.047 0.000 0.905 537 Q HN 0.087 nan 8.270 nan 0.000 0.420 538 K N 0.480 120.995 120.400 0.191 0.000 2.001 538 K HA -0.213 4.106 4.320 -0.001 0.000 0.223 538 K C 1.899 178.602 176.600 0.170 0.000 1.055 538 K CA 2.121 58.481 56.287 0.123 0.000 0.965 538 K CB -0.947 31.577 32.500 0.040 0.000 0.730 538 K HN 0.224 nan 8.250 nan 0.000 0.449 539 F N -0.068 119.974 119.950 0.154 0.000 2.065 539 F HA -0.220 4.306 4.527 -0.002 0.000 0.298 539 F C 2.478 178.441 175.800 0.271 0.000 1.112 539 F CA 1.296 59.417 58.000 0.200 0.000 1.212 539 F CB -1.304 37.831 39.000 0.225 0.000 0.975 539 F HN 0.129 nan 8.300 nan 0.000 0.476 540 Y N 0.879 121.344 120.300 0.275 0.000 2.556 540 Y HA -0.202 4.347 4.550 -0.001 0.000 0.290 540 Y C 2.077 178.039 175.900 0.103 0.000 1.149 540 Y CA 0.634 58.827 58.100 0.154 0.000 1.329 540 Y CB -1.198 37.337 38.460 0.124 0.000 0.975 540 Y HN 0.138 nan 8.280 nan 0.000 0.561 541 D N -0.961 119.580 120.400 0.234 0.000 2.117 541 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 541 D C 1.194 177.540 176.300 0.077 0.000 0.987 541 D CA 1.034 55.108 54.000 0.123 0.000 0.829 541 D CB -0.301 40.550 40.800 0.085 0.000 0.961 541 D HN 0.036 nan 8.370 nan 0.000 0.460 542 S N 0.952 116.702 115.700 0.083 0.000 3.844 542 S HA 0.043 4.512 4.470 -0.001 0.000 0.193 542 S C 0.176 174.791 174.600 0.026 0.000 1.255 542 S CA 0.132 58.363 58.200 0.052 0.000 1.028 542 S CB -0.411 62.831 63.200 0.069 0.000 1.436 542 S HN 0.095 nan 8.310 nan 0.000 0.442 543 L N 0.000 121.226 121.223 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 -0.027 0.000 0.813 543 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 543 L HN 0.000 nan 8.230 nan 0.000 0.502