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 1ldk_1_A DATA FIRST_RESID 15 DATA SEQUENCE IGLDQIWDDL RAGIQQVYTR QSMAKSRYME LYTHVYNYCT SXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQFV GLELYKRLKE FLKNYLTNLL KDGEDLMDES DATA SEQUENCE VLKFYTQQWE DYRFSSKVLN GICAYLNRHW VRRECXXXXK GIYEIYSLAL DATA SEQUENCE VTWRDCLFRP LNKQVTNAVL KLIEKERNGE TINTRLISGV VQSYVELGLN DATA SEQUENCE EDXXXXXXXX LTVYKESFES QFLADTERFY TRESTEFLQQ NPVTEYMKKA DATA SEQUENCE EARLLEEQRR VQVYLHESTQ DELARKCEQV LIEKHLEIFH TEFQNLLDAD DATA SEQUENCE KNEDLGRMYN LVSRIQDGLG ELKKLLETHI HNQGLAAIEK CGEAALNDPK DATA SEQUENCE MYVQTVLDVH KKYNALVMSA FNNDAGFVAA LDKACGRFIN NNAVTK 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 15 I HA 0.000 nan 4.170 nan 0.000 0.288 15 I C 0.000 176.177 176.117 0.100 0.000 1.063 15 I CA 0.000 61.366 61.300 0.110 0.000 1.566 15 I CB 0.000 38.100 38.000 0.167 0.000 1.214 16 G N 1.009 109.877 108.800 0.113 0.000 1.950 16 G HA2 0.404 4.364 3.960 0.001 0.000 0.231 16 G HA3 0.404 4.364 3.960 0.001 0.000 0.231 16 G C -0.851 174.118 174.900 0.114 0.000 1.685 16 G CA -0.606 44.551 45.100 0.095 0.000 0.922 16 G HN 0.294 nan 8.290 nan 0.000 0.717 17 L N 1.227 122.510 121.223 0.101 0.000 2.467 17 L HA 0.282 4.622 4.340 0.001 0.000 0.213 17 L C 2.106 179.063 176.870 0.145 0.000 1.053 17 L CA 0.421 55.329 54.840 0.114 0.000 0.847 17 L CB 0.120 42.211 42.059 0.053 0.000 1.075 17 L HN 0.588 nan 8.230 nan 0.000 0.479 18 D N -0.291 120.175 120.400 0.111 0.000 2.403 18 D HA -0.206 4.435 4.640 0.001 0.000 0.227 18 D C 1.879 178.237 176.300 0.097 0.000 0.995 18 D CA 0.767 54.835 54.000 0.113 0.000 0.928 18 D CB 0.372 41.219 40.800 0.078 0.000 0.887 18 D HN 0.134 nan 8.370 nan 0.000 0.529 19 Q N -0.973 118.882 119.800 0.092 0.000 2.179 19 Q HA 0.211 4.551 4.340 0.001 0.000 0.244 19 Q C 0.945 176.991 176.000 0.078 0.000 0.808 19 Q CA 0.111 55.958 55.803 0.074 0.000 0.955 19 Q CB 0.391 29.172 28.738 0.072 0.000 1.141 19 Q HN 0.162 nan 8.270 nan 0.000 0.485 20 I N -1.163 119.466 120.570 0.099 0.000 3.136 20 I HA 0.048 4.218 4.170 0.001 0.000 0.262 20 I C 1.696 177.819 176.117 0.010 0.000 1.132 20 I CA 0.452 61.810 61.300 0.096 0.000 1.450 20 I CB -1.281 36.818 38.000 0.165 0.000 1.315 20 I HN 0.267 nan 8.210 nan 0.000 0.460 21 W N 4.097 125.334 121.300 -0.105 0.000 2.329 21 W HA -0.283 4.378 4.660 0.001 0.000 0.324 21 W C 2.422 178.863 176.519 -0.128 0.000 1.222 21 W CA 2.538 59.799 57.345 -0.139 0.000 1.270 21 W CB -0.634 28.756 29.460 -0.116 0.000 1.167 21 W HN 0.412 nan 8.180 nan 0.000 0.467 22 D N -0.020 120.234 120.400 -0.243 0.000 2.157 22 D HA -0.314 4.326 4.640 0.001 0.000 0.191 22 D C 1.387 177.448 176.300 -0.398 0.000 1.004 22 D CA 2.394 56.120 54.000 -0.456 0.000 0.854 22 D CB -1.299 39.408 40.800 -0.155 0.000 0.936 22 D HN 0.225 nan 8.370 nan 0.000 0.446 23 D N 0.238 120.472 120.400 -0.276 0.000 2.190 23 D HA -0.125 4.516 4.640 0.001 0.000 0.200 23 D C 1.968 178.031 176.300 -0.396 0.000 0.992 23 D CA 0.585 54.417 54.000 -0.279 0.000 0.854 23 D CB -0.211 40.432 40.800 -0.261 0.000 0.936 23 D HN 0.268 nan 8.370 nan 0.000 0.462 24 L N -0.045 120.875 121.223 -0.505 0.000 2.298 24 L HA 0.088 4.428 4.340 0.001 0.000 0.209 24 L C 2.112 178.701 176.870 -0.469 0.000 1.084 24 L CA 0.647 55.215 54.840 -0.453 0.000 0.816 24 L CB -0.127 41.706 42.059 -0.376 0.000 0.967 24 L HN -0.042 nan 8.230 nan 0.000 0.460 25 R N 0.420 120.490 120.500 -0.717 0.000 2.081 25 R HA -0.153 4.187 4.340 0.001 0.000 0.235 25 R C 2.093 178.185 176.300 -0.348 0.000 1.131 25 R CA 1.491 57.172 56.100 -0.699 0.000 0.960 25 R CB -0.166 29.450 30.300 -1.141 0.000 0.856 25 R HN 0.459 nan 8.270 nan 0.000 0.436 26 A N -0.004 122.634 122.820 -0.303 0.000 1.883 26 A HA -0.105 4.215 4.320 0.001 0.000 0.217 26 A C 2.344 179.864 177.584 -0.107 0.000 1.186 26 A CA 1.881 53.828 52.037 -0.149 0.000 0.624 26 A CB -1.124 17.795 19.000 -0.136 0.000 0.822 26 A HN 0.524 nan 8.150 nan 0.000 0.444 27 G N -0.304 108.402 108.800 -0.157 0.000 2.408 27 G HA2 -0.120 3.840 3.960 0.001 0.000 0.217 27 G HA3 -0.120 3.840 3.960 0.001 0.000 0.217 27 G C 1.468 176.287 174.900 -0.135 0.000 1.150 27 G CA 1.002 46.029 45.100 -0.122 0.000 0.776 27 G HN 0.485 nan 8.290 nan 0.000 0.542 28 I N 0.080 120.509 120.570 -0.236 0.000 2.493 28 I HA -0.134 4.036 4.170 0.001 0.000 0.254 28 I C 2.719 178.741 176.117 -0.159 0.000 1.160 28 I CA 0.956 62.040 61.300 -0.359 0.000 1.445 28 I CB -0.115 37.415 38.000 -0.783 0.000 1.086 28 I HN 0.292 nan 8.210 nan 0.000 0.433 29 Q N 0.973 120.793 119.800 0.033 0.000 1.984 29 Q HA -0.201 4.139 4.340 0.001 0.000 0.196 29 Q C 2.200 178.352 176.000 0.253 0.000 0.975 29 Q CA 1.227 57.237 55.803 0.345 0.000 0.827 29 Q CB -0.004 28.888 28.738 0.257 0.000 0.894 29 Q HN 0.433 nan 8.270 nan 0.000 0.438 30 Q N 0.020 119.890 119.800 0.116 0.000 2.012 30 Q HA -0.230 4.110 4.340 0.001 0.000 0.211 30 Q C 2.127 178.176 176.000 0.082 0.000 1.009 30 Q CA 2.179 58.030 55.803 0.080 0.000 0.866 30 Q CB -0.651 28.100 28.738 0.022 0.000 0.945 30 Q HN 0.352 nan 8.270 nan 0.000 0.414 31 V N -0.344 119.586 119.914 0.027 0.000 2.636 31 V HA -0.254 3.866 4.120 0.001 0.000 0.258 31 V C 0.888 176.978 176.094 -0.007 0.000 1.092 31 V CA 1.671 63.956 62.300 -0.026 0.000 1.110 31 V CB -0.332 31.415 31.823 -0.128 0.000 0.685 31 V HN 0.413 nan 8.190 nan 0.000 0.481 32 Y N 0.299 120.649 120.300 0.083 0.000 2.571 32 Y HA 0.300 4.850 4.550 0.001 0.000 0.275 32 Y C 0.521 176.567 175.900 0.243 0.000 1.179 32 Y CA 0.084 58.278 58.100 0.157 0.000 1.242 32 Y CB 0.400 38.979 38.460 0.199 0.000 1.126 32 Y HN 0.273 nan 8.280 nan 0.000 0.524 33 T N -0.583 114.116 114.554 0.241 0.000 2.993 33 T HA 0.387 4.737 4.350 0.001 0.000 0.312 33 T C -0.370 174.393 174.700 0.104 0.000 1.115 33 T CA -0.969 61.239 62.100 0.180 0.000 1.027 33 T CB 1.482 70.446 68.868 0.161 0.000 1.116 33 T HN 0.071 nan 8.240 nan 0.000 0.464 34 R N 1.914 122.454 120.500 0.067 0.000 3.785 34 R HA 0.261 4.602 4.340 0.001 0.000 0.255 34 R C 1.192 177.517 176.300 0.041 0.000 1.485 34 R CA -0.571 55.557 56.100 0.047 0.000 1.555 34 R CB 0.235 30.543 30.300 0.014 0.000 1.362 34 R HN 0.409 nan 8.270 nan 0.000 0.702 35 Q N 1.012 120.842 119.800 0.050 0.000 2.557 35 Q HA -0.025 4.316 4.340 0.001 0.000 0.217 35 Q C -0.607 175.420 176.000 0.044 0.000 0.978 35 Q CA 0.474 56.302 55.803 0.043 0.000 0.950 35 Q CB -0.041 28.723 28.738 0.044 0.000 0.991 35 Q HN 0.544 nan 8.270 nan 0.000 0.533 36 S N 1.032 116.765 115.700 0.056 0.000 3.454 36 S HA -0.171 4.300 4.470 0.001 0.000 0.508 36 S C 0.235 174.892 174.600 0.095 0.000 0.738 36 S CA 0.665 58.911 58.200 0.078 0.000 1.383 36 S CB -1.403 61.827 63.200 0.051 0.000 0.945 36 S HN 0.607 nan 8.310 nan 0.000 0.768 37 M N 1.509 121.188 119.600 0.132 0.000 2.249 37 M HA 0.707 5.188 4.480 0.001 0.000 0.351 37 M C 0.210 176.649 176.300 0.232 0.000 1.180 37 M CA -0.268 55.119 55.300 0.145 0.000 1.127 37 M CB 1.106 33.763 32.600 0.095 0.000 1.546 37 M HN 0.599 nan 8.290 nan 0.000 0.461 38 A N 3.753 126.661 122.820 0.147 0.000 2.462 38 A HA 0.221 4.542 4.320 0.001 0.000 0.243 38 A C 0.721 178.389 177.584 0.141 0.000 1.076 38 A CA -0.400 51.697 52.037 0.101 0.000 0.773 38 A CB 0.179 19.211 19.000 0.054 0.000 1.010 38 A HN 0.987 nan 8.150 nan 0.000 0.493 39 K N 1.234 121.631 120.400 -0.005 0.000 2.520 39 K HA -0.102 4.218 4.320 0.001 0.000 0.197 39 K C 1.754 178.383 176.600 0.048 0.000 1.044 39 K CA 1.615 57.853 56.287 -0.082 0.000 0.938 39 K CB -0.144 32.226 32.500 -0.216 0.000 0.767 39 K HN 0.617 nan 8.250 nan 0.000 0.481 40 S N 0.133 115.869 115.700 0.059 0.000 2.500 40 S HA -0.046 4.424 4.470 0.001 0.000 0.239 40 S C 1.534 176.193 174.600 0.097 0.000 0.989 40 S CA 0.792 59.025 58.200 0.056 0.000 0.951 40 S CB 0.022 63.246 63.200 0.039 0.000 0.759 40 S HN 0.241 nan 8.310 nan 0.000 0.523 41 R N -0.715 119.887 120.500 0.171 0.000 2.194 41 R HA 0.219 4.560 4.340 0.001 0.000 0.194 41 R C 1.603 178.021 176.300 0.197 0.000 0.985 41 R CA 0.331 56.527 56.100 0.161 0.000 1.104 41 R CB -0.608 29.765 30.300 0.122 0.000 1.092 41 R HN 0.357 nan 8.270 nan 0.000 0.555 42 Y N 1.568 121.883 120.300 0.024 0.000 2.002 42 Y HA -0.336 4.215 4.550 0.001 0.000 0.268 42 Y C 2.545 178.485 175.900 0.067 0.000 1.177 42 Y CA 1.862 59.980 58.100 0.029 0.000 1.111 42 Y CB -0.589 37.861 38.460 -0.016 0.000 0.952 42 Y HN -0.061 nan 8.280 nan 0.000 0.491 43 M N -0.394 119.328 119.600 0.205 0.000 2.065 43 M HA -0.245 4.235 4.480 0.001 0.000 0.259 43 M C 2.208 178.599 176.300 0.151 0.000 1.069 43 M CA 1.693 57.059 55.300 0.110 0.000 1.110 43 M CB -1.490 31.113 32.600 0.006 0.000 1.328 43 M HN 0.387 nan 8.290 nan 0.000 0.405 44 E N 0.545 120.814 120.200 0.115 0.000 2.065 44 E HA -0.222 4.128 4.350 0.001 0.000 0.201 44 E C 2.145 178.866 176.600 0.201 0.000 1.016 44 E CA 1.512 57.968 56.400 0.094 0.000 0.818 44 E CB -0.075 29.692 29.700 0.111 0.000 0.749 44 E HN 0.434 nan 8.360 nan 0.000 0.453 45 L N -0.388 120.986 121.223 0.253 0.000 1.961 45 L HA -0.206 4.134 4.340 0.001 0.000 0.210 45 L C 2.527 179.567 176.870 0.283 0.000 1.072 45 L CA 1.682 56.695 54.840 0.287 0.000 0.749 45 L CB -0.846 41.277 42.059 0.106 0.000 0.889 45 L HN 0.311 nan 8.230 nan 0.000 0.432 46 Y N 1.117 121.483 120.300 0.111 0.000 2.002 46 Y HA -0.407 4.144 4.550 0.001 0.000 0.268 46 Y C 2.667 178.658 175.900 0.151 0.000 1.177 46 Y CA 2.547 60.717 58.100 0.117 0.000 1.111 46 Y CB -0.892 37.612 38.460 0.074 0.000 0.952 46 Y HN 0.131 nan 8.280 nan 0.000 0.491 47 T N 0.637 115.378 114.554 0.311 0.000 2.567 47 T HA -0.383 3.967 4.350 0.001 0.000 0.261 47 T C 1.548 176.325 174.700 0.129 0.000 1.123 47 T CA 2.087 64.273 62.100 0.144 0.000 1.166 47 T CB -0.966 67.917 68.868 0.025 0.000 0.860 47 T HN 0.569 nan 8.240 nan 0.000 0.436 48 H N 0.416 119.562 119.070 0.126 0.000 2.304 48 H HA -0.149 4.408 4.556 0.001 0.000 0.287 48 H C 2.416 177.845 175.328 0.167 0.000 1.112 48 H CA 1.986 58.110 56.048 0.126 0.000 1.200 48 H CB -0.979 28.833 29.762 0.082 0.000 1.349 48 H HN 0.238 nan 8.280 nan 0.000 0.477 49 V N 0.628 120.701 119.914 0.265 0.000 2.214 49 V HA -0.316 3.805 4.120 0.001 0.000 0.245 49 V C 2.267 178.539 176.094 0.296 0.000 1.047 49 V CA 2.201 64.650 62.300 0.248 0.000 0.998 49 V CB -1.174 30.724 31.823 0.125 0.000 0.633 49 V HN 0.372 nan 8.190 nan 0.000 0.446 50 Y N 1.727 122.022 120.300 -0.008 0.000 2.096 50 Y HA -0.365 4.186 4.550 0.001 0.000 0.278 50 Y C 2.410 178.317 175.900 0.012 0.000 1.192 50 Y CA 2.422 60.437 58.100 -0.143 0.000 1.143 50 Y CB -0.737 37.468 38.460 -0.425 0.000 0.963 50 Y HN 0.382 nan 8.280 nan 0.000 0.505 51 N N -1.635 117.243 118.700 0.296 0.000 2.084 51 N HA -0.263 4.477 4.740 0.001 0.000 0.190 51 N C 1.694 177.307 175.510 0.171 0.000 1.030 51 N CA 1.098 54.276 53.050 0.213 0.000 0.849 51 N CB -0.566 38.036 38.487 0.193 0.000 1.012 51 N HN 0.398 nan 8.380 nan 0.000 0.423 52 Y N 2.110 122.480 120.300 0.117 0.000 2.070 52 Y HA -0.160 4.390 4.550 0.001 0.000 0.280 52 Y C 1.336 177.276 175.900 0.067 0.000 1.148 52 Y CA 0.687 58.844 58.100 0.095 0.000 1.125 52 Y CB -0.637 37.891 38.460 0.112 0.000 0.975 52 Y HN 0.046 nan 8.280 nan 0.000 0.492 53 C N 2.514 121.799 119.300 -0.025 0.000 3.297 53 C HA 0.317 4.777 4.460 0.001 0.000 0.533 53 C C 0.006 174.989 174.990 -0.012 0.000 1.228 53 C CA 0.418 59.367 59.018 -0.116 0.000 1.402 53 C CB -2.431 25.337 27.740 0.047 0.000 1.728 53 C HN 0.451 nan 8.230 nan 0.000 0.637 54 T N 0.816 115.300 114.554 -0.116 0.000 3.867 54 T HA 0.308 4.659 4.350 0.001 0.000 0.308 54 T C -0.571 174.078 174.700 -0.085 0.000 0.716 54 T CA -0.047 61.995 62.100 -0.097 0.000 1.031 54 T CB 0.690 69.447 68.868 -0.185 0.000 1.062 54 T HN 0.429 nan 8.240 nan 0.000 0.482 83 F N 1.731 121.587 119.950 -0.156 0.000 1.982 83 F HA -0.155 4.372 4.527 0.001 0.000 0.299 83 F C 1.757 177.299 175.800 -0.429 0.000 1.290 83 F CA 2.314 60.121 58.000 -0.322 0.000 1.182 83 F CB -0.766 38.028 39.000 -0.344 0.000 0.951 83 F HN 0.115 nan 8.300 nan 0.000 0.513 84 V N -0.675 119.124 119.914 -0.191 0.000 5.843 84 V HA -0.111 4.009 4.120 0.001 0.000 0.164 84 V C 0.265 176.077 176.094 -0.470 0.000 0.715 84 V CA 0.570 62.611 62.300 -0.431 0.000 0.516 84 V CB -2.174 29.389 31.823 -0.433 0.000 0.318 84 V HN 1.039 nan 8.190 nan 0.000 0.397 85 G N 1.475 109.941 108.800 -0.558 0.000 4.167 85 G HA2 0.067 4.027 3.960 0.001 0.000 0.201 85 G HA3 0.067 4.027 3.960 0.001 0.000 0.201 85 G C 0.425 174.928 174.900 -0.662 0.000 1.186 85 G CA 0.390 45.039 45.100 -0.752 0.000 0.979 85 G HN 1.075 nan 8.290 nan 0.000 0.460 86 L N 1.379 122.001 121.223 -1.001 0.000 1.978 86 L HA -0.145 4.195 4.340 0.001 0.000 0.235 86 L C 2.715 179.654 176.870 0.116 0.000 1.094 86 L CA 3.086 57.778 54.840 -0.247 0.000 0.814 86 L CB -0.337 41.645 42.059 -0.128 0.000 0.911 86 L HN 0.220 nan 8.230 nan 0.000 0.442 87 E N -0.129 120.115 120.200 0.073 0.000 2.072 87 E HA -0.334 4.016 4.350 0.001 0.000 0.218 87 E C 2.095 178.719 176.600 0.041 0.000 1.051 87 E CA 2.005 58.435 56.400 0.050 0.000 0.880 87 E CB -1.264 28.448 29.700 0.019 0.000 0.783 87 E HN 0.539 nan 8.360 nan 0.000 0.473 88 L N 0.655 121.903 121.223 0.041 0.000 2.034 88 L HA -0.263 4.078 4.340 0.001 0.000 0.217 88 L C 2.408 179.377 176.870 0.166 0.000 1.077 88 L CA 2.034 56.883 54.840 0.014 0.000 0.769 88 L CB -1.232 40.889 42.059 0.102 0.000 0.890 88 L HN 0.238 nan 8.230 nan 0.000 0.435 89 Y N 0.407 120.818 120.300 0.185 0.000 2.145 89 Y HA -0.242 4.308 4.550 0.001 0.000 0.286 89 Y C 2.517 178.519 175.900 0.170 0.000 1.145 89 Y CA 2.271 60.520 58.100 0.248 0.000 1.148 89 Y CB -0.267 38.477 38.460 0.473 0.000 0.981 89 Y HN 0.232 nan 8.280 nan 0.000 0.507 90 K N -0.122 120.536 120.400 0.431 0.000 2.044 90 K HA -0.238 4.082 4.320 0.001 0.000 0.210 90 K C 2.288 178.945 176.600 0.096 0.000 1.049 90 K CA 1.886 58.334 56.287 0.269 0.000 0.927 90 K CB -0.247 32.357 32.500 0.172 0.000 0.713 90 K HN 0.324 nan 8.250 nan 0.000 0.443 91 R N 0.797 121.307 120.500 0.017 0.000 2.070 91 R HA -0.089 4.251 4.340 0.001 0.000 0.233 91 R C 2.455 178.830 176.300 0.124 0.000 1.137 91 R CA 1.336 57.418 56.100 -0.030 0.000 0.945 91 R CB -0.465 29.688 30.300 -0.245 0.000 0.845 91 R HN 0.151 nan 8.270 nan 0.000 0.430 92 L N 0.961 122.237 121.223 0.089 0.000 1.990 92 L HA -0.290 4.051 4.340 0.001 0.000 0.213 92 L C 2.684 179.597 176.870 0.071 0.000 1.072 92 L CA 1.783 56.660 54.840 0.061 0.000 0.755 92 L CB -0.757 41.259 42.059 -0.072 0.000 0.889 92 L HN 0.265 nan 8.230 nan 0.000 0.432 93 K N 0.639 121.006 120.400 -0.055 0.000 2.052 93 K HA -0.278 4.042 4.320 0.001 0.000 0.215 93 K C 1.886 178.534 176.600 0.080 0.000 1.053 93 K CA 2.259 58.530 56.287 -0.027 0.000 0.934 93 K CB -0.128 32.356 32.500 -0.027 0.000 0.717 93 K HN 0.382 nan 8.250 nan 0.000 0.450 94 E N -0.252 120.012 120.200 0.107 0.000 2.038 94 E HA -0.216 4.134 4.350 0.001 0.000 0.195 94 E C 1.901 178.586 176.600 0.141 0.000 1.000 94 E CA 1.493 57.961 56.400 0.114 0.000 0.803 94 E CB -0.343 29.421 29.700 0.107 0.000 0.750 94 E HN 0.396 nan 8.360 nan 0.000 0.448 95 F N 1.448 121.443 119.950 0.074 0.000 2.111 95 F HA -0.312 4.215 4.527 0.001 0.000 0.300 95 F C 1.816 177.621 175.800 0.009 0.000 1.088 95 F CA 1.427 59.464 58.000 0.061 0.000 1.243 95 F CB -0.051 38.967 39.000 0.030 0.000 0.996 95 F HN -0.060 nan 8.300 nan 0.000 0.483 96 L N 0.342 121.675 121.223 0.183 0.000 2.023 96 L HA -0.120 4.220 4.340 0.001 0.000 0.205 96 L C 2.365 179.281 176.870 0.077 0.000 1.073 96 L CA 1.888 56.777 54.840 0.083 0.000 0.745 96 L CB -1.290 40.853 42.059 0.139 0.000 0.900 96 L HN 0.039 nan 8.230 nan 0.000 0.435 97 K N 0.532 120.981 120.400 0.081 0.000 2.015 97 K HA -0.267 4.053 4.320 0.001 0.000 0.216 97 K C 2.045 178.668 176.600 0.038 0.000 1.052 97 K CA 2.063 58.391 56.287 0.067 0.000 0.937 97 K CB -0.667 31.871 32.500 0.064 0.000 0.719 97 K HN 0.164 nan 8.250 nan 0.000 0.446 98 N N -0.971 117.734 118.700 0.008 0.000 2.036 98 N HA -0.219 4.521 4.740 0.001 0.000 0.195 98 N C 1.737 177.231 175.510 -0.026 0.000 1.037 98 N CA 1.817 54.853 53.050 -0.024 0.000 0.855 98 N CB -0.476 37.979 38.487 -0.053 0.000 1.033 98 N HN 0.431 nan 8.380 nan 0.000 0.423 99 Y N 0.804 120.968 120.300 -0.227 0.000 2.163 99 Y HA -0.038 4.513 4.550 0.001 0.000 0.288 99 Y C 1.939 177.771 175.900 -0.113 0.000 1.136 99 Y CA 1.406 59.362 58.100 -0.240 0.000 1.147 99 Y CB -0.442 37.782 38.460 -0.394 0.000 0.987 99 Y HN 0.066 nan 8.280 nan 0.000 0.509 100 L N -0.147 121.225 121.223 0.248 0.000 1.989 100 L HA -0.241 4.099 4.340 0.001 0.000 0.211 100 L C 2.590 179.441 176.870 -0.031 0.000 1.071 100 L CA 2.217 57.106 54.840 0.083 0.000 0.749 100 L CB -1.560 40.517 42.059 0.031 0.000 0.890 100 L HN 0.372 nan 8.230 nan 0.000 0.431 101 T N -3.393 111.150 114.554 -0.019 0.000 2.946 101 T HA -0.180 4.170 4.350 0.001 0.000 0.271 101 T C 0.957 175.629 174.700 -0.048 0.000 1.104 101 T CA 1.167 63.247 62.100 -0.033 0.000 1.114 101 T CB -0.580 68.279 68.868 -0.015 0.000 0.867 101 T HN 0.448 nan 8.240 nan 0.000 0.513 102 N N 0.618 119.275 118.700 -0.072 0.000 2.598 102 N HA 0.486 5.226 4.740 0.001 0.000 0.309 102 N C 0.118 175.555 175.510 -0.123 0.000 1.645 102 N CA -0.032 52.965 53.050 -0.087 0.000 0.936 102 N CB 0.976 39.409 38.487 -0.089 0.000 1.323 102 N HN 0.438 nan 8.380 nan 0.000 0.497 103 L N -2.996 118.174 121.223 -0.087 0.000 4.368 103 L HA 0.278 4.618 4.340 0.001 0.000 0.430 103 L C 0.244 177.163 176.870 0.080 0.000 1.098 103 L CA -0.069 54.746 54.840 -0.042 0.000 1.557 103 L CB -0.082 41.885 42.059 -0.153 0.000 1.638 103 L HN 0.108 nan 8.230 nan 0.000 0.622 104 L N 0.436 121.664 121.223 0.008 0.000 2.162 104 L HA 0.067 4.407 4.340 0.001 0.000 0.205 104 L C 2.091 178.936 176.870 -0.041 0.000 1.086 104 L CA 1.169 56.014 54.840 0.008 0.000 0.778 104 L CB -0.003 42.030 42.059 -0.043 0.000 0.928 104 L HN 0.397 nan 8.230 nan 0.000 0.446 105 K N -0.120 120.250 120.400 -0.050 0.000 2.160 105 K HA -0.205 4.115 4.320 0.001 0.000 0.206 105 K C 1.428 177.961 176.600 -0.110 0.000 1.047 105 K CA 1.670 57.914 56.287 -0.073 0.000 0.930 105 K CB -0.163 32.304 32.500 -0.055 0.000 0.720 105 K HN 0.372 nan 8.250 nan 0.000 0.450 106 D N -0.321 120.025 120.400 -0.090 0.000 2.269 106 D HA -0.053 4.587 4.640 0.001 0.000 0.208 106 D C 1.830 177.803 176.300 -0.546 0.000 0.963 106 D CA 1.028 54.944 54.000 -0.141 0.000 0.864 106 D CB 0.127 40.975 40.800 0.080 0.000 0.936 106 D HN 0.411 nan 8.370 nan 0.000 0.505 107 G N 0.114 108.502 108.800 -0.687 0.000 2.641 107 G HA2 -0.038 3.922 3.960 0.001 0.000 0.207 107 G HA3 -0.038 3.922 3.960 0.001 0.000 0.207 107 G C 0.632 175.223 174.900 -0.515 0.000 1.137 107 G CA -0.296 44.054 45.100 -1.249 0.000 0.824 107 G HN 0.130 nan 8.290 nan 0.000 0.547 108 E N 0.984 121.025 120.200 -0.265 0.000 2.481 108 E HA 0.144 4.494 4.350 0.001 0.000 0.263 108 E C 0.045 176.553 176.600 -0.153 0.000 0.992 108 E CA 0.570 56.876 56.400 -0.156 0.000 0.938 108 E CB 0.359 29.996 29.700 -0.104 0.000 0.933 108 E HN 0.234 nan 8.360 nan 0.000 0.453 109 D N 0.128 120.465 120.400 -0.106 0.000 2.876 109 D HA -0.200 4.441 4.640 0.001 0.000 0.196 109 D C -0.219 176.025 176.300 -0.095 0.000 1.014 109 D CA 0.661 54.609 54.000 -0.086 0.000 1.012 109 D CB -1.260 39.490 40.800 -0.082 0.000 1.080 109 D HN 0.305 nan 8.370 nan 0.000 0.438 110 L N 0.565 121.709 121.223 -0.132 0.000 2.467 110 L HA 0.152 4.492 4.340 0.001 0.000 0.270 110 L C 1.613 178.453 176.870 -0.049 0.000 1.205 110 L CA 0.058 54.827 54.840 -0.119 0.000 0.828 110 L CB 0.179 42.128 42.059 -0.183 0.000 1.101 110 L HN -0.077 nan 8.230 nan 0.000 0.479 111 M N 1.194 120.778 119.600 -0.025 0.000 2.207 111 M HA 0.031 4.511 4.480 0.001 0.000 0.311 111 M C -0.129 176.182 176.300 0.018 0.000 1.127 111 M CA -0.106 55.194 55.300 -0.001 0.000 1.181 111 M CB 0.229 32.833 32.600 0.006 0.000 1.409 111 M HN 0.405 nan 8.290 nan 0.000 0.461 112 D N 2.053 122.467 120.400 0.023 0.000 2.845 112 D HA 0.123 4.764 4.640 0.001 0.000 0.235 112 D C 0.356 176.678 176.300 0.038 0.000 1.158 112 D CA 0.288 54.309 54.000 0.036 0.000 0.990 112 D CB 0.080 40.903 40.800 0.037 0.000 1.094 112 D HN 0.544 nan 8.370 nan 0.000 0.486 113 E N -0.666 119.558 120.200 0.039 0.000 3.100 113 E HA -0.067 4.283 4.350 0.001 0.000 0.191 113 E C 1.907 178.543 176.600 0.059 0.000 1.097 113 E CA 0.118 56.544 56.400 0.042 0.000 1.339 113 E CB 0.017 29.737 29.700 0.033 0.000 1.330 113 E HN 0.153 nan 8.360 nan 0.000 0.511 114 S N 1.461 117.193 115.700 0.054 0.000 2.392 114 S HA -0.189 4.281 4.470 0.001 0.000 0.232 114 S C 2.158 176.824 174.600 0.111 0.000 1.041 114 S CA 1.403 59.645 58.200 0.069 0.000 1.026 114 S CB -0.649 62.573 63.200 0.037 0.000 0.845 114 S HN 0.108 nan 8.310 nan 0.000 0.465 115 V N 1.855 121.828 119.914 0.099 0.000 2.307 115 V HA -0.040 4.080 4.120 0.001 0.000 0.245 115 V C 2.407 178.653 176.094 0.253 0.000 1.045 115 V CA 1.709 64.100 62.300 0.153 0.000 1.024 115 V CB -0.609 31.263 31.823 0.081 0.000 0.651 115 V HN 0.594 nan 8.190 nan 0.000 0.449 116 L N -0.325 120.999 121.223 0.169 0.000 1.990 116 L HA -0.276 4.064 4.340 0.001 0.000 0.213 116 L C 2.644 179.634 176.870 0.200 0.000 1.072 116 L CA 2.430 57.375 54.840 0.174 0.000 0.755 116 L CB -0.937 41.174 42.059 0.088 0.000 0.889 116 L HN 0.289 nan 8.230 nan 0.000 0.432 117 K N -0.415 120.079 120.400 0.158 0.000 2.077 117 K HA -0.285 4.036 4.320 0.001 0.000 0.213 117 K C 2.037 178.753 176.600 0.193 0.000 1.051 117 K CA 2.191 58.563 56.287 0.142 0.000 0.929 117 K CB -0.513 32.063 32.500 0.126 0.000 0.715 117 K HN 0.122 nan 8.250 nan 0.000 0.451 118 F N 0.363 120.387 119.950 0.123 0.000 2.171 118 F HA -0.242 4.286 4.527 0.001 0.000 0.300 118 F C 2.124 178.071 175.800 0.245 0.000 1.090 118 F CA 1.356 59.447 58.000 0.151 0.000 1.293 118 F CB -0.308 38.767 39.000 0.124 0.000 1.013 118 F HN 0.088 nan 8.300 nan 0.000 0.486 119 Y N 0.587 120.955 120.300 0.114 0.000 2.197 119 Y HA -0.105 4.445 4.550 0.001 0.000 0.281 119 Y C 2.882 178.858 175.900 0.125 0.000 1.099 119 Y CA 2.007 60.175 58.100 0.115 0.000 1.092 119 Y CB -0.972 37.595 38.460 0.178 0.000 1.028 119 Y HN 0.129 nan 8.280 nan 0.000 0.489 120 T N -0.521 114.134 114.554 0.169 0.000 2.567 120 T HA -0.468 3.883 4.350 0.001 0.000 0.261 120 T C 1.748 176.482 174.700 0.056 0.000 1.123 120 T CA 2.298 64.439 62.100 0.068 0.000 1.166 120 T CB -1.109 67.809 68.868 0.084 0.000 0.860 120 T HN 0.578 nan 8.240 nan 0.000 0.436 121 Q N 0.772 120.596 119.800 0.039 0.000 2.014 121 Q HA -0.200 4.140 4.340 0.001 0.000 0.207 121 Q C 2.706 178.703 176.000 -0.005 0.000 0.993 121 Q CA 2.037 57.845 55.803 0.009 0.000 0.850 121 Q CB -0.329 28.415 28.738 0.010 0.000 0.916 121 Q HN 0.576 nan 8.270 nan 0.000 0.417 122 Q N -0.571 119.195 119.800 -0.057 0.000 2.234 122 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 122 Q C 1.675 177.759 176.000 0.140 0.000 0.980 122 Q CA 1.364 57.177 55.803 0.017 0.000 0.869 122 Q CB -0.569 28.095 28.738 -0.123 0.000 0.912 122 Q HN 0.622 nan 8.270 nan 0.000 0.436 123 W N 1.446 122.587 121.300 -0.264 0.000 2.380 123 W HA -0.224 4.436 4.660 0.000 0.000 0.317 123 W C 1.651 178.007 176.519 -0.272 0.000 1.196 123 W CA 1.141 58.179 57.345 -0.512 0.000 1.307 123 W CB 0.230 29.337 29.460 -0.589 0.000 1.157 123 W HN 0.157 nan 8.180 nan 0.000 0.483 124 E N 1.011 121.104 120.200 -0.179 0.000 2.021 124 E HA -0.291 4.060 4.350 0.001 0.000 0.200 124 E C 1.432 177.915 176.600 -0.194 0.000 1.015 124 E CA 2.468 58.710 56.400 -0.263 0.000 0.824 124 E CB -0.880 28.738 29.700 -0.137 0.000 0.762 124 E HN 0.152 nan 8.360 nan 0.000 0.454 125 D N -1.511 118.836 120.400 -0.088 0.000 2.254 125 D HA -0.215 4.426 4.640 0.001 0.000 0.201 125 D C 1.446 177.767 176.300 0.036 0.000 0.998 125 D CA 1.153 55.137 54.000 -0.026 0.000 0.885 125 D CB -0.104 40.720 40.800 0.041 0.000 0.915 125 D HN 0.236 nan 8.370 nan 0.000 0.460 126 Y N 0.057 120.252 120.300 -0.175 0.000 2.343 126 Y HA 0.148 4.699 4.550 0.001 0.000 0.294 126 Y C 2.131 177.831 175.900 -0.333 0.000 1.122 126 Y CA 0.807 58.800 58.100 -0.179 0.000 1.173 126 Y CB 0.003 38.381 38.460 -0.136 0.000 1.077 126 Y HN -0.241 nan 8.280 nan 0.000 0.542 127 R N -0.726 119.417 120.500 -0.595 0.000 2.193 127 R HA -0.127 4.214 4.340 0.001 0.000 0.213 127 R C 1.925 177.985 176.300 -0.399 0.000 1.055 127 R CA 1.146 56.814 56.100 -0.720 0.000 0.995 127 R CB -0.729 28.934 30.300 -1.061 0.000 0.893 127 R HN 0.363 nan 8.270 nan 0.000 0.459 128 F N 0.680 120.358 119.950 -0.453 0.000 2.075 128 F HA -0.123 4.405 4.527 0.001 0.000 0.297 128 F C 2.098 177.673 175.800 -0.376 0.000 1.113 128 F CA 2.002 59.796 58.000 -0.343 0.000 1.218 128 F CB -0.256 38.578 39.000 -0.278 0.000 0.984 128 F HN -0.026 nan 8.300 nan 0.000 0.472 129 S N -0.738 114.735 115.700 -0.379 0.000 2.414 129 S HA -0.098 4.373 4.470 0.001 0.000 0.227 129 S C 2.106 176.256 174.600 -0.749 0.000 1.022 129 S CA 0.915 58.717 58.200 -0.665 0.000 0.958 129 S CB -0.267 62.260 63.200 -1.122 0.000 0.797 129 S HN 0.372 nan 8.310 nan 0.000 0.493 130 S N 1.783 117.079 115.700 -0.674 0.000 2.368 130 S HA -0.213 4.258 4.470 0.001 0.000 0.226 130 S C 1.877 176.391 174.600 -0.143 0.000 1.044 130 S CA 1.690 59.670 58.200 -0.366 0.000 1.062 130 S CB -0.314 62.544 63.200 -0.569 0.000 0.931 130 S HN 0.481 nan 8.310 nan 0.000 0.440 131 K N 0.752 121.050 120.400 -0.170 0.000 2.009 131 K HA -0.039 4.281 4.320 0.001 0.000 0.210 131 K C 1.931 178.371 176.600 -0.268 0.000 1.049 131 K CA 1.302 57.461 56.287 -0.214 0.000 0.929 131 K CB -0.622 31.616 32.500 -0.436 0.000 0.714 131 K HN 0.156 nan 8.250 nan 0.000 0.440 132 V N 1.430 121.092 119.914 -0.420 0.000 3.026 132 V HA -0.147 3.973 4.120 0.001 0.000 0.265 132 V C 1.791 177.754 176.094 -0.218 0.000 1.121 132 V CA 1.367 63.462 62.300 -0.342 0.000 1.142 132 V CB -0.281 31.269 31.823 -0.455 0.000 0.730 132 V HN 0.419 nan 8.190 nan 0.000 0.503 133 L N 0.351 121.470 121.223 -0.173 0.000 2.131 133 L HA 0.004 4.344 4.340 0.001 0.000 0.206 133 L C 2.039 178.890 176.870 -0.032 0.000 1.087 133 L CA 2.085 56.881 54.840 -0.073 0.000 0.767 133 L CB -0.883 41.194 42.059 0.031 0.000 0.917 133 L HN 0.331 nan 8.230 nan 0.000 0.441 134 N N -0.023 118.664 118.700 -0.023 0.000 2.132 134 N HA -0.174 4.566 4.740 0.001 0.000 0.191 134 N C 1.698 177.233 175.510 0.042 0.000 1.015 134 N CA 1.757 54.816 53.050 0.015 0.000 0.864 134 N CB -0.502 37.983 38.487 -0.004 0.000 1.006 134 N HN 0.552 nan 8.380 nan 0.000 0.430 135 G N -0.227 108.593 108.800 0.033 0.000 2.437 135 G HA2 -0.016 3.944 3.960 0.001 0.000 0.212 135 G HA3 -0.016 3.944 3.960 0.001 0.000 0.212 135 G C 1.454 176.494 174.900 0.234 0.000 1.174 135 G CA 0.099 45.274 45.100 0.125 0.000 0.811 135 G HN 0.276 nan 8.290 nan 0.000 0.537 136 I N 0.157 120.815 120.570 0.146 0.000 2.502 136 I HA -0.172 3.998 4.170 0.001 0.000 0.258 136 I C 2.134 178.333 176.117 0.137 0.000 1.172 136 I CA 0.560 61.967 61.300 0.178 0.000 1.430 136 I CB -0.120 37.887 38.000 0.011 0.000 1.086 136 I HN 0.259 nan 8.210 nan 0.000 0.440 137 C N -0.003 119.357 119.300 0.099 0.000 3.336 137 C HA 0.422 4.882 4.460 0.001 0.000 0.291 137 C C 2.825 177.875 174.990 0.099 0.000 1.363 137 C CA 0.093 59.157 59.018 0.077 0.000 1.737 137 C CB -0.729 27.043 27.740 0.052 0.000 2.274 137 C HN 0.537 nan 8.230 nan 0.000 0.663 138 A N 0.208 123.111 122.820 0.140 0.000 1.940 138 A HA -0.308 4.013 4.320 0.001 0.000 0.221 138 A C 1.832 179.499 177.584 0.138 0.000 1.190 138 A CA 2.315 54.438 52.037 0.144 0.000 0.647 138 A CB -1.153 17.972 19.000 0.208 0.000 0.821 138 A HN 0.705 nan 8.150 nan 0.000 0.457 139 Y N -0.094 120.204 120.300 -0.003 0.000 2.228 139 Y HA -0.192 4.359 4.550 0.001 0.000 0.285 139 Y C 1.987 177.894 175.900 0.011 0.000 1.178 139 Y CA 1.734 59.816 58.100 -0.030 0.000 1.202 139 Y CB -0.428 37.961 38.460 -0.118 0.000 0.974 139 Y HN 0.296 nan 8.280 nan 0.000 0.527 140 L N -0.008 121.213 121.223 -0.003 0.000 2.217 140 L HA -0.145 4.196 4.340 0.001 0.000 0.211 140 L C 1.897 178.796 176.870 0.048 0.000 1.107 140 L CA 1.727 56.605 54.840 0.064 0.000 0.783 140 L CB -0.567 41.636 42.059 0.241 0.000 0.919 140 L HN 0.209 nan 8.230 nan 0.000 0.442 141 N N -0.318 118.385 118.700 0.004 0.000 2.166 141 N HA -0.175 4.565 4.740 0.001 0.000 0.186 141 N C 1.275 176.733 175.510 -0.086 0.000 1.019 141 N CA 1.210 54.239 53.050 -0.035 0.000 0.856 141 N CB -0.032 38.441 38.487 -0.023 0.000 0.993 141 N HN 0.431 nan 8.380 nan 0.000 0.426 142 R N -0.647 119.759 120.500 -0.157 0.000 2.317 142 R HA 0.138 4.479 4.340 0.001 0.000 0.208 142 R C 0.338 176.538 176.300 -0.166 0.000 0.914 142 R CA 0.582 56.565 56.100 -0.194 0.000 1.060 142 R CB 0.160 30.301 30.300 -0.264 0.000 1.015 142 R HN 0.352 nan 8.270 nan 0.000 0.498 143 H N -0.107 118.905 119.070 -0.096 0.000 2.654 143 H HA -0.004 4.553 4.556 0.001 0.000 0.170 143 H C 1.445 176.764 175.328 -0.016 0.000 1.045 143 H CA 0.221 56.227 56.048 -0.071 0.000 1.178 143 H CB -1.178 28.503 29.762 -0.134 0.000 1.162 143 H HN 0.176 nan 8.280 nan 0.000 0.399 144 W N 2.677 123.956 121.300 -0.036 0.000 2.296 144 W HA -0.198 4.462 4.660 0.001 0.000 0.296 144 W C 0.541 177.000 176.519 -0.099 0.000 1.220 144 W CA 1.768 59.054 57.345 -0.099 0.000 1.223 144 W CB -0.079 29.328 29.460 -0.087 0.000 1.139 144 W HN -0.040 nan 8.180 nan 0.000 0.534 145 V N 1.000 120.496 119.914 -0.696 0.000 2.725 145 V HA -0.125 3.996 4.120 0.001 0.000 0.247 145 V C 2.510 178.351 176.094 -0.421 0.000 1.058 145 V CA 1.598 63.372 62.300 -0.875 0.000 1.080 145 V CB -0.854 30.719 31.823 -0.417 0.000 0.713 145 V HN 0.106 nan 8.190 nan 0.000 0.465 146 R N 0.612 120.994 120.500 -0.196 0.000 2.185 146 R HA -0.143 4.198 4.340 0.001 0.000 0.247 146 R C 0.582 176.778 176.300 -0.173 0.000 1.159 146 R CA 1.033 57.072 56.100 -0.101 0.000 0.988 146 R CB 0.080 30.376 30.300 -0.008 0.000 0.871 146 R HN 0.283 nan 8.270 nan 0.000 0.458 147 R N 1.015 121.383 120.500 -0.221 0.000 2.391 147 R HA 0.018 4.358 4.340 0.001 0.000 0.310 147 R C 0.438 176.543 176.300 -0.324 0.000 1.174 147 R CA 0.130 56.111 56.100 -0.199 0.000 1.118 147 R CB 0.903 31.144 30.300 -0.098 0.000 1.134 147 R HN 0.396 nan 8.270 nan 0.000 0.524 148 E N 0.159 120.173 120.200 -0.310 0.000 2.646 148 E HA -0.002 4.349 4.350 0.001 0.000 0.207 148 E C -0.039 176.412 176.600 -0.248 0.000 0.922 148 E CA -0.143 56.055 56.400 -0.336 0.000 1.482 148 E CB -0.448 28.949 29.700 -0.506 0.000 1.509 148 E HN 0.267 nan 8.360 nan 0.000 0.831 155 G N 1.259 110.068 108.800 0.015 0.000 2.572 155 G HA2 0.125 4.086 3.960 0.001 0.000 0.214 155 G HA3 0.125 4.086 3.960 0.001 0.000 0.214 155 G C 0.243 175.189 174.900 0.077 0.000 1.246 155 G CA 0.168 45.306 45.100 0.064 0.000 0.835 155 G HN 0.321 nan 8.290 nan 0.000 0.551 156 I N 1.094 121.668 120.570 0.008 0.000 3.045 156 I HA -0.114 4.057 4.170 0.001 0.000 0.306 156 I C 0.628 176.645 176.117 -0.166 0.000 1.232 156 I CA 0.940 62.120 61.300 -0.199 0.000 1.415 156 I CB 0.055 37.789 38.000 -0.444 0.000 1.364 156 I HN 0.489 nan 8.210 nan 0.000 0.538 157 Y N 4.932 125.125 120.300 -0.178 0.000 3.189 157 Y HA 0.130 4.681 4.550 0.001 0.000 0.213 157 Y C 0.980 176.820 175.900 -0.100 0.000 1.032 157 Y CA -0.456 57.530 58.100 -0.190 0.000 1.482 157 Y CB 0.724 39.125 38.460 -0.099 0.000 1.460 157 Y HN 0.590 nan 8.280 nan 0.000 0.398 158 E N 0.121 120.147 120.200 -0.291 0.000 2.524 158 E HA 0.437 4.787 4.350 0.001 0.000 0.219 158 E C -0.499 176.083 176.600 -0.029 0.000 0.776 158 E CA -0.083 56.106 56.400 -0.351 0.000 0.944 158 E CB 1.406 30.731 29.700 -0.624 0.000 1.719 158 E HN 0.279 nan 8.360 nan 0.000 0.384 159 I N -1.240 119.306 120.570 -0.040 0.000 3.620 159 I HA 0.100 4.270 4.170 0.001 0.000 0.255 159 I C 1.417 177.511 176.117 -0.037 0.000 1.124 159 I CA -0.145 61.144 61.300 -0.017 0.000 1.526 159 I CB -0.172 37.830 38.000 0.003 0.000 1.681 159 I HN 0.588 nan 8.210 nan 0.000 0.420 160 Y N 2.423 122.675 120.300 -0.080 0.000 2.139 160 Y HA -0.384 4.167 4.550 0.001 0.000 0.282 160 Y C 2.707 178.577 175.900 -0.050 0.000 1.179 160 Y CA 2.132 60.179 58.100 -0.088 0.000 1.161 160 Y CB -0.461 37.934 38.460 -0.109 0.000 0.970 160 Y HN 0.354 nan 8.280 nan 0.000 0.511 161 S N 0.307 115.945 115.700 -0.103 0.000 2.353 161 S HA -0.300 4.170 4.470 0.001 0.000 0.222 161 S C 2.125 176.657 174.600 -0.112 0.000 1.035 161 S CA 1.497 59.630 58.200 -0.112 0.000 1.025 161 S CB -1.355 61.803 63.200 -0.070 0.000 0.902 161 S HN 0.640 nan 8.310 nan 0.000 0.440 162 L N 1.835 123.017 121.223 -0.068 0.000 1.963 162 L HA -0.238 4.102 4.340 0.001 0.000 0.220 162 L C 2.991 179.861 176.870 -0.001 0.000 1.076 162 L CA 2.047 56.882 54.840 -0.009 0.000 0.772 162 L CB -1.202 40.832 42.059 -0.042 0.000 0.892 162 L HN 0.478 nan 8.230 nan 0.000 0.435 163 A N -0.068 122.704 122.820 -0.080 0.000 1.909 163 A HA -0.303 4.017 4.320 0.001 0.000 0.221 163 A C 2.150 179.824 177.584 0.151 0.000 1.223 163 A CA 2.462 54.490 52.037 -0.015 0.000 0.658 163 A CB -1.105 17.728 19.000 -0.279 0.000 0.831 163 A HN 0.566 nan 8.150 nan 0.000 0.462 164 L N -1.144 120.045 121.223 -0.057 0.000 1.961 164 L HA -0.187 4.153 4.340 0.001 0.000 0.210 164 L C 2.595 179.623 176.870 0.263 0.000 1.072 164 L CA 1.637 56.564 54.840 0.144 0.000 0.749 164 L CB -0.978 41.080 42.059 -0.002 0.000 0.889 164 L HN 0.290 nan 8.230 nan 0.000 0.432 165 V N -0.014 119.993 119.914 0.155 0.000 2.250 165 V HA -0.397 3.723 4.120 0.001 0.000 0.253 165 V C 2.630 178.859 176.094 0.226 0.000 1.065 165 V CA 2.666 65.075 62.300 0.181 0.000 1.039 165 V CB -0.755 31.150 31.823 0.137 0.000 0.647 165 V HN 0.535 nan 8.190 nan 0.000 0.446 166 T N -1.249 113.440 114.554 0.226 0.000 2.720 166 T HA -0.260 4.090 4.350 0.001 0.000 0.268 166 T C 1.492 176.365 174.700 0.288 0.000 1.037 166 T CA 1.601 63.840 62.100 0.232 0.000 1.144 166 T CB -0.403 68.593 68.868 0.213 0.000 0.864 166 T HN 0.745 nan 8.240 nan 0.000 0.444 167 W N 2.408 123.835 121.300 0.212 0.000 2.359 167 W HA -0.062 4.599 4.660 0.000 0.000 0.275 167 W C 0.956 177.551 176.519 0.127 0.000 1.217 167 W CA 0.707 58.161 57.345 0.182 0.000 1.196 167 W CB -0.230 29.432 29.460 0.338 0.000 1.129 167 W HN 0.100 nan 8.180 nan 0.000 0.566 168 R N 1.761 122.430 120.500 0.282 0.000 4.496 168 R HA -0.039 4.302 4.340 0.001 0.000 0.211 168 R C 0.098 176.488 176.300 0.151 0.000 1.738 168 R CA 0.771 56.982 56.100 0.184 0.000 1.528 168 R CB -0.799 29.648 30.300 0.244 0.000 1.414 168 R HN 0.149 nan 8.270 nan 0.000 0.812 169 D N -1.642 118.782 120.400 0.040 0.000 2.817 169 D HA -0.061 4.580 4.640 0.001 0.000 0.316 169 D C 0.176 176.418 176.300 -0.096 0.000 1.565 169 D CA -0.331 53.681 54.000 0.021 0.000 0.901 169 D CB -0.739 40.089 40.800 0.046 0.000 1.520 169 D HN 0.231 nan 8.370 nan 0.000 0.404 170 C N 0.258 119.425 119.300 -0.223 0.000 4.015 170 C HA 0.424 4.884 4.460 0.001 0.000 0.323 170 C C 0.988 175.770 174.990 -0.348 0.000 1.724 170 C CA -0.116 58.653 59.018 -0.416 0.000 1.828 170 C CB -0.768 26.418 27.740 -0.923 0.000 3.083 170 C HN 0.497 nan 8.230 nan 0.000 0.640 171 L N -0.723 120.373 121.223 -0.211 0.000 2.862 171 L HA 0.403 4.744 4.340 0.001 0.000 0.169 171 L C 1.857 178.629 176.870 -0.163 0.000 1.164 171 L CA 0.864 55.597 54.840 -0.179 0.000 0.858 171 L CB -1.321 40.639 42.059 -0.165 0.000 1.329 171 L HN 0.273 nan 8.230 nan 0.000 0.514 172 F N 1.207 121.129 119.950 -0.047 0.000 2.079 172 F HA -0.380 4.147 4.527 0.001 0.000 0.296 172 F C 2.745 178.512 175.800 -0.056 0.000 1.084 172 F CA 2.752 60.723 58.000 -0.049 0.000 1.236 172 F CB -0.037 38.948 39.000 -0.024 0.000 0.984 172 F HN 0.269 nan 8.300 nan 0.000 0.488 173 R N -1.374 119.200 120.500 0.122 0.000 2.492 173 R HA 0.182 4.523 4.340 0.001 0.000 0.219 173 R C -1.396 174.908 176.300 0.006 0.000 0.886 173 R CA 0.008 56.146 56.100 0.064 0.000 1.003 173 R CB -0.924 29.413 30.300 0.063 0.000 1.345 173 R HN -0.006 nan 8.270 nan 0.000 0.631 174 P HA -0.069 nan 4.420 nan 0.000 0.198 174 P C 0.872 178.142 177.300 -0.051 0.000 1.043 174 P CA 1.414 64.488 63.100 -0.043 0.000 0.892 174 P CB 0.025 31.685 31.700 -0.067 0.000 0.701 175 L N -2.022 119.155 121.223 -0.076 0.000 2.168 175 L HA 0.015 4.356 4.340 0.001 0.000 0.203 175 L C 2.248 179.057 176.870 -0.103 0.000 1.078 175 L CA 0.469 55.256 54.840 -0.087 0.000 0.780 175 L CB -1.339 40.668 42.059 -0.085 0.000 0.939 175 L HN 0.051 nan 8.230 nan 0.000 0.451 176 N N 1.797 120.418 118.700 -0.131 0.000 1.156 176 N HA -0.399 4.342 4.740 0.001 0.000 0.125 176 N C 1.669 177.172 175.510 -0.012 0.000 0.332 176 N CA 2.661 55.653 53.050 -0.097 0.000 0.861 176 N CB -0.361 38.053 38.487 -0.123 0.000 1.035 176 N HN 0.186 nan 8.380 nan 0.000 1.307 177 K N 0.563 120.955 120.400 -0.013 0.000 2.023 177 K HA -0.305 4.015 4.320 0.001 0.000 0.227 177 K C 2.311 178.932 176.600 0.035 0.000 1.054 177 K CA 2.575 58.871 56.287 0.015 0.000 0.977 177 K CB -0.514 31.991 32.500 0.008 0.000 0.733 177 K HN 0.435 nan 8.250 nan 0.000 0.451 178 Q N -0.184 119.623 119.800 0.011 0.000 2.028 178 Q HA -0.267 4.074 4.340 0.001 0.000 0.213 178 Q C 1.999 178.012 176.000 0.021 0.000 1.017 178 Q CA 2.746 58.554 55.803 0.008 0.000 0.875 178 Q CB -0.289 28.439 28.738 -0.015 0.000 0.962 178 Q HN 0.290 nan 8.270 nan 0.000 0.413 179 V N -0.017 119.895 119.914 -0.004 0.000 2.392 179 V HA -0.282 3.839 4.120 0.001 0.000 0.249 179 V C 2.220 178.355 176.094 0.069 0.000 1.059 179 V CA 2.253 64.541 62.300 -0.020 0.000 1.051 179 V CB -0.670 31.031 31.823 -0.204 0.000 0.658 179 V HN 0.536 nan 8.190 nan 0.000 0.455 180 T N 0.115 114.770 114.554 0.169 0.000 2.904 180 T HA -0.116 4.234 4.350 0.001 0.000 0.267 180 T C 1.604 176.430 174.700 0.209 0.000 1.059 180 T CA 1.631 63.909 62.100 0.297 0.000 1.137 180 T CB -0.361 68.736 68.868 0.382 0.000 0.879 180 T HN 0.616 nan 8.240 nan 0.000 0.467 181 N N 1.880 120.654 118.700 0.123 0.000 2.142 181 N HA 0.079 4.820 4.740 0.001 0.000 0.186 181 N C 2.134 177.703 175.510 0.097 0.000 1.023 181 N CA 0.984 54.090 53.050 0.093 0.000 0.852 181 N CB -0.399 38.122 38.487 0.057 0.000 0.998 181 N HN 0.347 nan 8.380 nan 0.000 0.424 182 A N 1.040 123.910 122.820 0.083 0.000 1.859 182 A HA -0.203 4.117 4.320 0.001 0.000 0.218 182 A C 2.369 180.008 177.584 0.091 0.000 1.209 182 A CA 1.954 54.034 52.037 0.071 0.000 0.639 182 A CB -1.278 17.757 19.000 0.058 0.000 0.835 182 A HN 0.106 nan 8.150 nan 0.000 0.450 183 V N 0.112 120.096 119.914 0.116 0.000 2.278 183 V HA -0.302 3.818 4.120 0.001 0.000 0.251 183 V C 2.573 178.792 176.094 0.208 0.000 1.062 183 V CA 2.046 64.436 62.300 0.150 0.000 1.038 183 V CB -0.807 31.161 31.823 0.242 0.000 0.646 183 V HN 0.536 nan 8.190 nan 0.000 0.447 184 L N -0.445 120.915 121.223 0.228 0.000 2.042 184 L HA -0.163 4.177 4.340 0.001 0.000 0.210 184 L C 2.572 179.528 176.870 0.143 0.000 1.076 184 L CA 1.969 56.931 54.840 0.202 0.000 0.749 184 L CB -1.329 40.814 42.059 0.140 0.000 0.893 184 L HN 0.393 nan 8.230 nan 0.000 0.432 185 K N -0.207 120.258 120.400 0.109 0.000 1.987 185 K HA -0.208 4.112 4.320 0.001 0.000 0.216 185 K C 2.153 178.805 176.600 0.087 0.000 1.051 185 K CA 1.157 57.496 56.287 0.086 0.000 0.942 185 K CB -0.895 31.645 32.500 0.067 0.000 0.722 185 K HN 0.230 nan 8.250 nan 0.000 0.444 186 L N 1.025 122.294 121.223 0.076 0.000 1.965 186 L HA -0.263 4.077 4.340 0.001 0.000 0.226 186 L C 2.534 179.453 176.870 0.081 0.000 1.083 186 L CA 1.513 56.388 54.840 0.057 0.000 0.790 186 L CB -0.457 41.614 42.059 0.020 0.000 0.898 186 L HN 0.209 nan 8.230 nan 0.000 0.439 187 I N -0.695 119.952 120.570 0.129 0.000 2.381 187 I HA -0.353 3.817 4.170 0.001 0.000 0.255 187 I C 2.443 178.614 176.117 0.090 0.000 1.140 187 I CA 1.310 62.724 61.300 0.190 0.000 1.404 187 I CB -0.417 37.794 38.000 0.352 0.000 1.075 187 I HN 0.453 nan 8.210 nan 0.000 0.433 188 E N 1.393 121.641 120.200 0.081 0.000 2.285 188 E HA -0.128 4.223 4.350 0.001 0.000 0.194 188 E C 0.808 177.463 176.600 0.091 0.000 0.997 188 E CA 0.424 56.865 56.400 0.068 0.000 0.845 188 E CB 0.204 29.991 29.700 0.147 0.000 0.782 188 E HN 0.435 nan 8.360 nan 0.000 0.491 189 K N 1.366 121.813 120.400 0.079 0.000 3.000 189 K HA -0.006 4.314 4.320 0.001 0.000 0.265 189 K C 0.604 177.238 176.600 0.056 0.000 1.260 189 K CA 0.052 56.385 56.287 0.078 0.000 1.209 189 K CB 0.107 32.645 32.500 0.064 0.000 1.484 189 K HN 0.123 nan 8.250 nan 0.000 0.283 190 E N 0.731 120.939 120.200 0.012 0.000 2.481 190 E HA 0.007 4.357 4.350 0.001 0.000 0.198 190 E C 0.610 177.211 176.600 0.002 0.000 1.027 190 E CA -0.103 56.241 56.400 -0.094 0.000 0.900 190 E CB 0.548 29.971 29.700 -0.461 0.000 0.993 190 E HN 0.195 nan 8.360 nan 0.000 0.482 191 R N 0.413 120.977 120.500 0.108 0.000 2.562 191 R HA 0.204 4.544 4.340 0.001 0.000 0.217 191 R C 0.863 177.221 176.300 0.098 0.000 1.234 191 R CA -0.343 55.852 56.100 0.159 0.000 1.027 191 R CB -0.103 30.293 30.300 0.161 0.000 1.525 191 R HN 0.147 nan 8.270 nan 0.000 0.527 192 N N 1.050 119.801 118.700 0.086 0.000 2.760 192 N HA -0.090 4.650 4.740 0.001 0.000 0.200 192 N C 0.731 176.276 175.510 0.058 0.000 1.306 192 N CA 0.629 53.718 53.050 0.066 0.000 0.957 192 N CB -0.698 37.824 38.487 0.058 0.000 1.041 192 N HN 0.531 nan 8.380 nan 0.000 0.448 193 G N 0.859 109.696 108.800 0.060 0.000 3.850 193 G HA2 -0.207 3.753 3.960 0.001 0.000 0.261 193 G HA3 -0.207 3.753 3.960 0.001 0.000 0.261 193 G C -0.064 174.862 174.900 0.044 0.000 1.287 193 G CA -0.039 45.093 45.100 0.053 0.000 0.878 193 G HN 0.326 nan 8.290 nan 0.000 0.610 194 E N -0.968 119.253 120.200 0.036 0.000 2.212 194 E HA 0.344 4.695 4.350 0.001 0.000 0.270 194 E C 0.845 177.459 176.600 0.024 0.000 0.956 194 E CA -0.563 55.854 56.400 0.028 0.000 0.825 194 E CB 1.599 31.312 29.700 0.022 0.000 1.167 194 E HN 0.355 nan 8.360 nan 0.000 0.400 195 T N 1.414 115.981 114.554 0.022 0.000 3.014 195 T HA 0.052 4.403 4.350 0.001 0.000 0.263 195 T C 1.547 176.251 174.700 0.008 0.000 1.078 195 T CA 0.653 62.767 62.100 0.024 0.000 1.135 195 T CB 0.089 68.973 68.868 0.027 0.000 0.895 195 T HN 0.388 nan 8.240 nan 0.000 0.480 196 I N 1.596 122.162 120.570 -0.007 0.000 3.226 196 I HA 0.011 4.181 4.170 0.001 0.000 0.277 196 I C 1.487 177.571 176.117 -0.055 0.000 1.243 196 I CA 0.384 61.672 61.300 -0.021 0.000 1.459 196 I CB -0.376 37.618 38.000 -0.010 0.000 1.093 196 I HN 0.166 nan 8.210 nan 0.000 0.453 197 N N 1.133 119.789 118.700 -0.074 0.000 2.588 197 N HA -0.121 4.619 4.740 0.001 0.000 0.190 197 N C 1.632 177.006 175.510 -0.227 0.000 1.094 197 N CA 0.924 53.907 53.050 -0.112 0.000 0.921 197 N CB -0.472 37.963 38.487 -0.087 0.000 0.959 197 N HN 0.305 nan 8.380 nan 0.000 0.448 198 T N 1.533 115.935 114.554 -0.253 0.000 2.594 198 T HA -0.229 4.121 4.350 0.001 0.000 0.266 198 T C 1.938 176.498 174.700 -0.235 0.000 1.070 198 T CA 1.455 63.345 62.100 -0.351 0.000 1.166 198 T CB -0.140 68.686 68.868 -0.070 0.000 0.862 198 T HN 0.404 nan 8.240 nan 0.000 0.436 199 R N 0.477 120.910 120.500 -0.110 0.000 2.105 199 R HA -0.014 4.327 4.340 0.001 0.000 0.239 199 R C 2.569 178.826 176.300 -0.072 0.000 1.135 199 R CA 1.146 57.208 56.100 -0.063 0.000 0.967 199 R CB -0.626 29.654 30.300 -0.033 0.000 0.861 199 R HN 0.410 nan 8.270 nan 0.000 0.442 200 L N 0.239 121.407 121.223 -0.092 0.000 2.046 200 L HA -0.188 4.153 4.340 0.001 0.000 0.208 200 L C 2.347 179.153 176.870 -0.106 0.000 1.077 200 L CA 1.359 56.159 54.840 -0.066 0.000 0.747 200 L CB -0.417 41.608 42.059 -0.058 0.000 0.896 200 L HN 0.173 nan 8.230 nan 0.000 0.432 201 I N -0.606 119.831 120.570 -0.222 0.000 2.260 201 I HA -0.214 3.956 4.170 0.001 0.000 0.237 201 I C 2.860 178.863 176.117 -0.189 0.000 1.075 201 I CA 1.215 62.361 61.300 -0.256 0.000 1.376 201 I CB -0.454 37.237 38.000 -0.516 0.000 1.107 201 I HN 0.263 nan 8.210 nan 0.000 0.420 202 S N 1.466 117.086 115.700 -0.134 0.000 2.407 202 S HA -0.189 4.281 4.470 0.001 0.000 0.235 202 S C 2.152 176.725 174.600 -0.046 0.000 1.036 202 S CA 1.505 59.696 58.200 -0.014 0.000 1.013 202 S CB -1.396 61.835 63.200 0.052 0.000 0.820 202 S HN 0.521 nan 8.310 nan 0.000 0.476 203 G N 1.129 109.900 108.800 -0.049 0.000 2.440 203 G HA2 -0.119 3.841 3.960 0.001 0.000 0.218 203 G HA3 -0.119 3.841 3.960 0.001 0.000 0.218 203 G C 1.431 176.299 174.900 -0.053 0.000 1.154 203 G CA 1.089 46.188 45.100 -0.002 0.000 0.767 203 G HN 0.510 nan 8.290 nan 0.000 0.552 204 V N 0.676 120.504 119.914 -0.143 0.000 2.216 204 V HA -0.193 3.928 4.120 0.001 0.000 0.243 204 V C 3.002 178.824 176.094 -0.452 0.000 1.044 204 V CA 1.629 63.725 62.300 -0.339 0.000 0.995 204 V CB -0.875 30.624 31.823 -0.541 0.000 0.633 204 V HN 0.243 nan 8.190 nan 0.000 0.446 205 V N -0.280 119.404 119.914 -0.384 0.000 2.280 205 V HA -0.451 3.670 4.120 0.001 0.000 0.258 205 V C 2.460 178.535 176.094 -0.031 0.000 1.081 205 V CA 2.685 64.899 62.300 -0.144 0.000 1.070 205 V CB -0.988 30.778 31.823 -0.096 0.000 0.666 205 V HN 0.592 nan 8.190 nan 0.000 0.450 206 Q N 0.224 120.014 119.800 -0.017 0.000 2.012 206 Q HA -0.274 4.067 4.340 0.001 0.000 0.211 206 Q C 2.511 178.594 176.000 0.138 0.000 1.009 206 Q CA 2.877 58.741 55.803 0.102 0.000 0.866 206 Q CB -0.694 28.171 28.738 0.212 0.000 0.945 206 Q HN 0.629 nan 8.270 nan 0.000 0.414 207 S N -1.631 114.027 115.700 -0.069 0.000 2.414 207 S HA -0.029 4.442 4.470 0.001 0.000 0.227 207 S C 1.788 176.422 174.600 0.057 0.000 1.022 207 S CA 0.434 58.403 58.200 -0.386 0.000 0.958 207 S CB -0.399 61.845 63.200 -1.593 0.000 0.797 207 S HN 0.592 nan 8.310 nan 0.000 0.493 208 Y N 0.925 121.220 120.300 -0.009 0.000 2.274 208 Y HA -0.141 4.409 4.550 0.001 0.000 0.290 208 Y C 2.414 178.400 175.900 0.143 0.000 1.145 208 Y CA 0.864 59.018 58.100 0.090 0.000 1.203 208 Y CB -0.043 38.528 38.460 0.184 0.000 0.984 208 Y HN 0.194 nan 8.280 nan 0.000 0.533 209 V N 0.116 120.193 119.914 0.272 0.000 2.255 209 V HA -0.273 3.847 4.120 0.001 0.000 0.243 209 V C 1.988 178.181 176.094 0.166 0.000 1.038 209 V CA 2.167 64.557 62.300 0.150 0.000 1.008 209 V CB -0.541 31.309 31.823 0.045 0.000 0.645 209 V HN 0.356 nan 8.190 nan 0.000 0.449 210 E N -0.231 120.091 120.200 0.204 0.000 2.427 210 E HA -0.130 4.220 4.350 0.001 0.000 0.196 210 E C 1.927 178.660 176.600 0.221 0.000 1.028 210 E CA 0.220 56.751 56.400 0.218 0.000 0.864 210 E CB 0.054 29.935 29.700 0.301 0.000 0.813 210 E HN 0.339 nan 8.360 nan 0.000 0.514 211 L N 1.305 122.652 121.223 0.207 0.000 2.362 211 L HA 0.083 4.423 4.340 0.001 0.000 0.219 211 L C 1.224 178.182 176.870 0.146 0.000 1.134 211 L CA 1.251 56.195 54.840 0.174 0.000 0.807 211 L CB -1.313 40.822 42.059 0.126 0.000 0.927 211 L HN 0.155 nan 8.230 nan 0.000 0.447 212 G N 0.520 109.407 108.800 0.144 0.000 2.228 212 G HA2 -0.060 3.900 3.960 0.001 0.000 0.242 212 G HA3 -0.060 3.900 3.960 0.001 0.000 0.242 212 G C -0.062 174.912 174.900 0.123 0.000 0.987 212 G CA -0.106 45.070 45.100 0.126 0.000 0.893 212 G HN 0.242 nan 8.290 nan 0.000 0.418 213 L N 2.708 124.003 121.223 0.120 0.000 2.322 213 L HA 0.285 4.625 4.340 0.001 0.000 0.279 213 L C 1.111 178.049 176.870 0.113 0.000 1.036 213 L CA -1.218 53.700 54.840 0.129 0.000 0.807 213 L CB 1.560 43.711 42.059 0.153 0.000 1.226 213 L HN 0.544 nan 8.230 nan 0.000 0.433 214 N N 1.276 120.049 118.700 0.121 0.000 2.083 214 N HA -0.075 4.665 4.740 0.001 0.000 0.190 214 N C -0.013 175.566 175.510 0.115 0.000 1.047 214 N CA 0.589 53.708 53.050 0.115 0.000 0.845 214 N CB -0.089 38.471 38.487 0.120 0.000 1.025 214 N HN 0.606 nan 8.380 nan 0.000 0.428 215 E N 2.154 122.429 120.200 0.126 0.000 2.892 215 E HA -0.127 4.223 4.350 0.001 0.000 0.273 215 E C -0.271 176.396 176.600 0.111 0.000 0.921 215 E CA 0.470 56.944 56.400 0.123 0.000 0.968 215 E CB 0.035 29.810 29.700 0.124 0.000 0.941 215 E HN 0.182 nan 8.360 nan 0.000 0.492 226 T N -3.777 110.847 114.554 0.117 0.000 3.115 226 T HA 0.043 4.394 4.350 0.001 0.000 0.235 226 T C 1.670 176.436 174.700 0.110 0.000 0.999 226 T CA 1.097 63.262 62.100 0.108 0.000 1.276 226 T CB -0.232 68.695 68.868 0.099 0.000 0.967 226 T HN -0.115 nan 8.240 nan 0.000 0.420 227 V N 2.035 122.009 119.914 0.100 0.000 2.225 227 V HA -0.276 3.844 4.120 0.001 0.000 0.252 227 V C 2.359 178.461 176.094 0.013 0.000 1.055 227 V CA 2.708 65.019 62.300 0.018 0.000 1.032 227 V CB -1.462 30.333 31.823 -0.047 0.000 0.655 227 V HN 0.667 nan 8.190 nan 0.000 0.458 228 Y N 1.022 121.331 120.300 0.014 0.000 2.215 228 Y HA -0.350 4.200 4.550 0.001 0.000 0.282 228 Y C 2.540 178.554 175.900 0.190 0.000 1.207 228 Y CA 2.568 60.759 58.100 0.152 0.000 1.196 228 Y CB -0.236 38.310 38.460 0.143 0.000 0.969 228 Y HN 0.217 nan 8.280 nan 0.000 0.528 229 K N -0.090 120.352 120.400 0.070 0.000 2.211 229 K HA -0.095 4.225 4.320 0.001 0.000 0.201 229 K C 2.083 178.665 176.600 -0.031 0.000 1.052 229 K CA 1.043 57.323 56.287 -0.013 0.000 0.973 229 K CB 0.014 32.580 32.500 0.110 0.000 0.766 229 K HN 0.719 nan 8.250 nan 0.000 0.466 230 E N -0.548 119.650 120.200 -0.004 0.000 2.051 230 E HA -0.054 4.296 4.350 0.001 0.000 0.189 230 E C 1.770 178.346 176.600 -0.039 0.000 0.979 230 E CA 1.180 57.580 56.400 -0.001 0.000 0.803 230 E CB -0.110 29.620 29.700 0.049 0.000 0.761 230 E HN -0.030 nan 8.360 nan 0.000 0.451 231 S N -0.141 115.504 115.700 -0.092 0.000 2.387 231 S HA -0.020 4.451 4.470 0.001 0.000 0.226 231 S C 1.317 175.885 174.600 -0.053 0.000 1.026 231 S CA 1.256 59.360 58.200 -0.160 0.000 0.972 231 S CB -0.202 62.733 63.200 -0.441 0.000 0.814 231 S HN 0.378 nan 8.310 nan 0.000 0.477 232 F N 1.155 120.985 119.950 -0.200 0.000 2.522 232 F HA 0.343 4.870 4.527 0.001 0.000 0.275 232 F C 2.132 177.869 175.800 -0.105 0.000 0.890 232 F CA 0.333 58.274 58.000 -0.100 0.000 1.157 232 F CB -0.415 38.577 39.000 -0.013 0.000 1.117 232 F HN 0.017 nan 8.300 nan 0.000 0.787 233 E N 0.037 120.074 120.200 -0.272 0.000 2.233 233 E HA -0.277 4.073 4.350 0.001 0.000 0.199 233 E C 2.118 178.652 176.600 -0.110 0.000 1.004 233 E CA 1.405 57.705 56.400 -0.166 0.000 0.819 233 E CB -0.230 29.435 29.700 -0.058 0.000 0.738 233 E HN 0.435 nan 8.360 nan 0.000 0.478 234 S N -0.103 115.519 115.700 -0.131 0.000 2.354 234 S HA -0.272 4.198 4.470 0.001 0.000 0.219 234 S C 1.914 176.439 174.600 -0.124 0.000 1.035 234 S CA 1.876 60.022 58.200 -0.089 0.000 1.037 234 S CB -0.177 62.983 63.200 -0.066 0.000 0.956 234 S HN 0.292 nan 8.310 nan 0.000 0.428 235 Q N 0.419 120.113 119.800 -0.177 0.000 1.993 235 Q HA 0.040 4.380 4.340 0.001 0.000 0.202 235 Q C 1.899 177.762 176.000 -0.229 0.000 0.984 235 Q CA 1.845 57.546 55.803 -0.171 0.000 0.837 235 Q CB -0.907 27.741 28.738 -0.151 0.000 0.902 235 Q HN 0.669 nan 8.270 nan 0.000 0.423 236 F N 0.923 120.563 119.950 -0.518 0.000 2.063 236 F HA -0.325 4.203 4.527 0.001 0.000 0.297 236 F C 1.757 177.446 175.800 -0.185 0.000 1.099 236 F CA 1.642 59.364 58.000 -0.463 0.000 1.220 236 F CB -0.511 37.931 39.000 -0.929 0.000 0.972 236 F HN 0.078 nan 8.300 nan 0.000 0.487 237 L N -0.203 120.814 121.223 -0.343 0.000 2.012 237 L HA -0.225 4.115 4.340 0.001 0.000 0.210 237 L C 2.826 179.547 176.870 -0.249 0.000 1.073 237 L CA 1.425 56.095 54.840 -0.284 0.000 0.748 237 L CB -1.056 40.991 42.059 -0.019 0.000 0.891 237 L HN 0.374 nan 8.230 nan 0.000 0.431 238 A N -0.269 122.450 122.820 -0.170 0.000 1.849 238 A HA -0.350 3.970 4.320 0.001 0.000 0.217 238 A C 2.058 179.576 177.584 -0.110 0.000 1.202 238 A CA 2.276 54.248 52.037 -0.107 0.000 0.629 238 A CB -1.042 17.908 19.000 -0.084 0.000 0.834 238 A HN 0.498 nan 8.150 nan 0.000 0.447 239 D N -1.038 119.278 120.400 -0.140 0.000 2.149 239 D HA -0.147 4.493 4.640 0.001 0.000 0.194 239 D C 1.977 178.232 176.300 -0.076 0.000 1.001 239 D CA 2.014 55.958 54.000 -0.093 0.000 0.849 239 D CB -0.490 40.254 40.800 -0.093 0.000 0.939 239 D HN 0.382 nan 8.370 nan 0.000 0.449 240 T N 0.168 114.586 114.554 -0.227 0.000 2.759 240 T HA -0.172 4.178 4.350 0.001 0.000 0.269 240 T C 1.734 176.503 174.700 0.116 0.000 1.042 240 T CA 1.306 63.333 62.100 -0.122 0.000 1.140 240 T CB -0.223 68.433 68.868 -0.353 0.000 0.864 240 T HN 0.323 nan 8.240 nan 0.000 0.455 241 E N 0.459 120.676 120.200 0.027 0.000 2.204 241 E HA -0.161 4.190 4.350 0.001 0.000 0.195 241 E C 2.365 179.033 176.600 0.113 0.000 0.990 241 E CA 0.766 57.212 56.400 0.077 0.000 0.821 241 E CB 0.050 29.760 29.700 0.016 0.000 0.750 241 E HN 0.418 nan 8.360 nan 0.000 0.477 242 R N -0.433 120.119 120.500 0.086 0.000 2.057 242 R HA -0.100 4.241 4.340 0.001 0.000 0.224 242 R C 2.241 178.596 176.300 0.090 0.000 1.136 242 R CA 0.899 57.039 56.100 0.066 0.000 0.968 242 R CB -0.639 29.675 30.300 0.024 0.000 0.863 242 R HN 0.110 nan 8.270 nan 0.000 0.433 243 F N 1.209 121.134 119.950 -0.042 0.000 2.063 243 F HA -0.310 4.218 4.527 0.001 0.000 0.298 243 F C 1.423 177.137 175.800 -0.144 0.000 1.105 243 F CA 1.980 59.898 58.000 -0.136 0.000 1.215 243 F CB -0.553 38.290 39.000 -0.261 0.000 0.972 243 F HN 0.092 nan 8.300 nan 0.000 0.483 244 Y N -0.087 120.432 120.300 0.366 0.000 2.561 244 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 244 Y C 2.412 178.406 175.900 0.158 0.000 1.141 244 Y CA 1.212 59.481 58.100 0.280 0.000 1.303 244 Y CB -0.842 37.766 38.460 0.246 0.000 1.015 244 Y HN 0.087 nan 8.280 nan 0.000 0.547 245 T N -0.839 113.838 114.554 0.206 0.000 2.851 245 T HA -0.118 4.232 4.350 0.001 0.000 0.262 245 T C 1.918 176.661 174.700 0.072 0.000 1.043 245 T CA 0.982 63.162 62.100 0.133 0.000 1.140 245 T CB -0.182 68.726 68.868 0.066 0.000 0.872 245 T HN 0.283 nan 8.240 nan 0.000 0.446 246 R N 1.396 121.889 120.500 -0.012 0.000 2.073 246 R HA -0.100 4.240 4.340 0.001 0.000 0.234 246 R C 2.455 178.725 176.300 -0.050 0.000 1.134 246 R CA 1.670 57.730 56.100 -0.067 0.000 0.952 246 R CB -0.203 29.998 30.300 -0.166 0.000 0.850 246 R HN 0.536 nan 8.270 nan 0.000 0.433 247 E N 0.354 120.505 120.200 -0.083 0.000 2.028 247 E HA -0.172 4.178 4.350 0.001 0.000 0.191 247 E C 1.896 178.594 176.600 0.162 0.000 0.988 247 E CA 1.665 58.067 56.400 0.002 0.000 0.799 247 E CB -0.049 29.624 29.700 -0.045 0.000 0.755 247 E HN 0.493 nan 8.360 nan 0.000 0.447 248 S N 0.291 116.126 115.700 0.226 0.000 2.392 248 S HA -0.288 4.182 4.470 0.001 0.000 0.225 248 S C 2.290 176.905 174.600 0.025 0.000 1.041 248 S CA 2.330 60.653 58.200 0.205 0.000 1.100 248 S CB -1.531 61.904 63.200 0.391 0.000 1.029 248 S HN 0.451 nan 8.310 nan 0.000 0.424 249 T N 2.290 116.930 114.554 0.143 0.000 2.622 249 T HA -0.244 4.106 4.350 0.001 0.000 0.266 249 T C 1.887 176.612 174.700 0.040 0.000 1.047 249 T CA 2.494 64.660 62.100 0.110 0.000 1.159 249 T CB -0.975 67.971 68.868 0.130 0.000 0.863 249 T HN 0.702 nan 8.240 nan 0.000 0.422 250 E N 0.285 120.515 120.200 0.050 0.000 2.108 250 E HA -0.214 4.137 4.350 0.001 0.000 0.203 250 E C 1.872 178.483 176.600 0.019 0.000 1.022 250 E CA 2.050 58.463 56.400 0.021 0.000 0.823 250 E CB -1.351 28.360 29.700 0.019 0.000 0.744 250 E HN 0.670 nan 8.360 nan 0.000 0.456 251 F N 0.518 120.447 119.950 -0.034 0.000 2.069 251 F HA -0.047 4.481 4.527 0.001 0.000 0.298 251 F C 2.057 177.824 175.800 -0.055 0.000 1.113 251 F CA 1.683 59.676 58.000 -0.012 0.000 1.214 251 F CB -0.271 38.765 39.000 0.060 0.000 0.978 251 F HN 0.080 nan 8.300 nan 0.000 0.474 252 L N 0.147 121.392 121.223 0.036 0.000 2.642 252 L HA -0.190 4.151 4.340 0.001 0.000 0.236 252 L C 2.260 179.073 176.870 -0.096 0.000 1.169 252 L CA 0.929 55.719 54.840 -0.084 0.000 0.851 252 L CB -0.527 41.362 42.059 -0.282 0.000 0.968 252 L HN 0.394 nan 8.230 nan 0.000 0.453 253 Q N -0.318 119.416 119.800 -0.110 0.000 2.134 253 Q HA -0.125 4.215 4.340 0.001 0.000 0.195 253 Q C 1.417 177.343 176.000 -0.123 0.000 0.958 253 Q CA 0.933 56.681 55.803 -0.092 0.000 0.840 253 Q CB 0.209 28.903 28.738 -0.073 0.000 0.918 253 Q HN 0.506 nan 8.270 nan 0.000 0.467 254 Q N 0.459 120.137 119.800 -0.203 0.000 2.201 254 Q HA 0.247 4.587 4.340 0.001 0.000 0.217 254 Q C -0.924 174.900 176.000 -0.292 0.000 0.860 254 Q CA -0.200 55.475 55.803 -0.214 0.000 0.984 254 Q CB 0.718 29.334 28.738 -0.202 0.000 1.095 254 Q HN 0.264 nan 8.270 nan 0.000 0.477 255 N N 0.239 118.750 118.700 -0.315 0.000 2.591 255 N HA 0.341 5.081 4.740 0.001 0.000 0.263 255 N C -3.025 172.475 175.510 -0.018 0.000 1.308 255 N CA -1.489 51.410 53.050 -0.253 0.000 0.837 255 N CB 1.600 39.660 38.487 -0.711 0.000 1.548 255 N HN -0.236 nan 8.380 nan 0.000 0.493 256 P HA -0.049 nan 4.420 nan 0.000 0.266 256 P C 1.262 178.723 177.300 0.268 0.000 1.195 256 P CA -0.030 63.167 63.100 0.161 0.000 0.768 256 P CB 0.863 32.651 31.700 0.146 0.000 0.838 257 V N 3.304 123.364 119.914 0.244 0.000 2.231 257 V HA -0.244 3.876 4.120 0.001 0.000 0.248 257 V C 1.686 178.025 176.094 0.409 0.000 1.054 257 V CA 2.805 65.320 62.300 0.359 0.000 1.015 257 V CB -1.282 30.743 31.823 0.337 0.000 0.638 257 V HN 0.700 nan 8.190 nan 0.000 0.444 258 T N -0.634 114.074 114.554 0.257 0.000 3.722 258 T HA 0.038 4.388 4.350 0.001 0.000 0.247 258 T C 0.968 175.754 174.700 0.143 0.000 1.004 258 T CA 1.006 63.199 62.100 0.155 0.000 0.947 258 T CB -0.649 68.286 68.868 0.111 0.000 1.114 258 T HN 0.761 nan 8.240 nan 0.000 0.633 259 E N -1.013 119.310 120.200 0.205 0.000 2.552 259 E HA 0.027 4.378 4.350 0.001 0.000 0.189 259 E C 0.531 177.281 176.600 0.251 0.000 0.970 259 E CA -0.014 56.513 56.400 0.211 0.000 1.571 259 E CB -0.181 29.672 29.700 0.255 0.000 2.223 259 E HN 0.594 nan 8.360 nan 0.000 1.018 260 Y N 1.734 122.159 120.300 0.210 0.000 2.176 260 Y HA 0.029 4.579 4.550 0.001 0.000 0.291 260 Y C 2.189 178.076 175.900 -0.021 0.000 1.122 260 Y CA 1.867 60.012 58.100 0.076 0.000 1.128 260 Y CB -0.311 38.277 38.460 0.213 0.000 1.005 260 Y HN -0.120 nan 8.280 nan 0.000 0.509 261 M N 0.625 120.090 119.600 -0.226 0.000 2.143 261 M HA -0.276 4.204 4.480 0.001 0.000 0.258 261 M C 1.913 178.033 176.300 -0.300 0.000 1.071 261 M CA 2.052 57.145 55.300 -0.344 0.000 1.088 261 M CB -0.571 31.924 32.600 -0.175 0.000 1.360 261 M HN 0.223 nan 8.290 nan 0.000 0.404 262 K N 0.388 120.679 120.400 -0.181 0.000 2.148 262 K HA -0.145 4.175 4.320 0.001 0.000 0.204 262 K C 2.057 178.547 176.600 -0.183 0.000 1.050 262 K CA 1.085 57.292 56.287 -0.133 0.000 0.942 262 K CB -0.202 32.263 32.500 -0.058 0.000 0.724 262 K HN 0.352 nan 8.250 nan 0.000 0.446 263 K N 0.814 121.038 120.400 -0.294 0.000 2.186 263 K HA 0.012 4.333 4.320 0.001 0.000 0.202 263 K C 2.072 178.458 176.600 -0.356 0.000 1.052 263 K CA 0.693 56.778 56.287 -0.336 0.000 0.965 263 K CB 0.084 32.240 32.500 -0.573 0.000 0.746 263 K HN 0.070 nan 8.250 nan 0.000 0.457 264 A N 1.713 124.192 122.820 -0.568 0.000 1.845 264 A HA -0.229 4.092 4.320 0.001 0.000 0.215 264 A C 2.020 179.457 177.584 -0.245 0.000 1.195 264 A CA 1.878 53.624 52.037 -0.485 0.000 0.616 264 A CB -0.690 17.932 19.000 -0.630 0.000 0.832 264 A HN 0.585 nan 8.150 nan 0.000 0.443 265 E N -0.078 119.988 120.200 -0.222 0.000 2.150 265 E HA -0.061 4.290 4.350 0.001 0.000 0.193 265 E C 2.025 178.560 176.600 -0.108 0.000 0.985 265 E CA 1.059 57.373 56.400 -0.143 0.000 0.814 265 E CB -0.300 29.323 29.700 -0.129 0.000 0.752 265 E HN 0.492 nan 8.360 nan 0.000 0.466 266 A N 1.827 124.583 122.820 -0.108 0.000 1.865 266 A HA -0.196 4.124 4.320 0.001 0.000 0.217 266 A C 2.259 179.821 177.584 -0.037 0.000 1.191 266 A CA 1.557 53.556 52.037 -0.064 0.000 0.623 266 A CB -0.522 18.442 19.000 -0.059 0.000 0.826 266 A HN 0.156 nan 8.150 nan 0.000 0.444 267 R N -0.531 119.952 120.500 -0.029 0.000 2.120 267 R HA -0.042 4.298 4.340 0.001 0.000 0.234 267 R C 2.108 178.359 176.300 -0.081 0.000 1.123 267 R CA 1.142 57.250 56.100 0.014 0.000 0.975 267 R CB -1.014 29.360 30.300 0.123 0.000 0.866 267 R HN 0.599 nan 8.270 nan 0.000 0.446 268 L N 0.506 121.657 121.223 -0.119 0.000 1.994 268 L HA -0.200 4.141 4.340 0.001 0.000 0.208 268 L C 2.529 179.360 176.870 -0.065 0.000 1.071 268 L CA 1.350 56.121 54.840 -0.114 0.000 0.745 268 L CB -0.612 41.386 42.059 -0.100 0.000 0.892 268 L HN 0.098 nan 8.230 nan 0.000 0.431 269 L N -0.594 120.598 121.223 -0.051 0.000 1.970 269 L HA -0.285 4.055 4.340 0.001 0.000 0.212 269 L C 2.602 179.459 176.870 -0.022 0.000 1.071 269 L CA 1.652 56.472 54.840 -0.034 0.000 0.751 269 L CB -0.738 41.303 42.059 -0.031 0.000 0.889 269 L HN 0.353 nan 8.230 nan 0.000 0.432 270 E N 0.169 120.363 120.200 -0.011 0.000 2.095 270 E HA -0.294 4.056 4.350 0.001 0.000 0.212 270 E C 2.064 178.672 176.600 0.014 0.000 1.044 270 E CA 1.955 58.362 56.400 0.012 0.000 0.857 270 E CB 0.034 29.761 29.700 0.045 0.000 0.764 270 E HN 0.393 nan 8.360 nan 0.000 0.462 271 E N 0.008 120.218 120.200 0.017 0.000 2.268 271 E HA -0.201 4.149 4.350 0.001 0.000 0.195 271 E C 1.969 178.574 176.600 0.008 0.000 0.995 271 E CA 0.698 57.120 56.400 0.037 0.000 0.836 271 E CB -0.142 29.587 29.700 0.047 0.000 0.763 271 E HN 0.458 nan 8.360 nan 0.000 0.491 272 Q N 1.038 120.831 119.800 -0.013 0.000 2.050 272 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 272 Q C 2.327 178.304 176.000 -0.039 0.000 0.980 272 Q CA 1.236 57.027 55.803 -0.019 0.000 0.840 272 Q CB 0.024 28.749 28.738 -0.022 0.000 0.898 272 Q HN 0.062 nan 8.270 nan 0.000 0.424 273 R N -0.322 120.154 120.500 -0.040 0.000 2.081 273 R HA -0.121 4.220 4.340 0.001 0.000 0.235 273 R C 2.186 178.420 176.300 -0.110 0.000 1.131 273 R CA 1.187 57.254 56.100 -0.054 0.000 0.960 273 R CB 0.049 30.331 30.300 -0.030 0.000 0.856 273 R HN 0.155 nan 8.270 nan 0.000 0.436 274 R N 0.075 120.492 120.500 -0.137 0.000 2.115 274 R HA -0.051 4.289 4.340 0.001 0.000 0.230 274 R C 2.206 178.228 176.300 -0.464 0.000 1.111 274 R CA 0.815 56.712 56.100 -0.338 0.000 0.976 274 R CB -0.777 29.370 30.300 -0.255 0.000 0.870 274 R HN 0.162 nan 8.270 nan 0.000 0.445 275 V N 1.313 121.088 119.914 -0.231 0.000 2.343 275 V HA -0.267 3.853 4.120 0.001 0.000 0.247 275 V C 2.319 178.305 176.094 -0.180 0.000 1.051 275 V CA 1.759 63.952 62.300 -0.178 0.000 1.036 275 V CB -0.470 31.322 31.823 -0.052 0.000 0.654 275 V HN 0.325 nan 8.190 nan 0.000 0.451 276 Q N -0.362 119.351 119.800 -0.146 0.000 2.016 276 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 276 Q C 2.385 178.312 176.000 -0.122 0.000 0.978 276 Q CA 1.874 57.609 55.803 -0.113 0.000 0.833 276 Q CB -0.422 28.270 28.738 -0.078 0.000 0.895 276 Q HN 0.514 nan 8.270 nan 0.000 0.427 277 V N 0.176 120.002 119.914 -0.147 0.000 2.324 277 V HA -0.260 3.860 4.120 0.001 0.000 0.250 277 V C 1.571 177.662 176.094 -0.005 0.000 1.060 277 V CA 2.350 64.603 62.300 -0.078 0.000 1.042 277 V CB -0.515 31.281 31.823 -0.045 0.000 0.650 277 V HN 0.620 nan 8.190 nan 0.000 0.450 278 Y N -3.978 116.300 120.300 -0.037 0.000 2.772 278 Y HA 0.537 5.087 4.550 0.001 0.000 0.287 278 Y C 0.144 175.996 175.900 -0.081 0.000 0.985 278 Y CA -1.111 56.955 58.100 -0.055 0.000 1.207 278 Y CB -0.499 37.935 38.460 -0.044 0.000 1.425 278 Y HN 0.055 nan 8.280 nan 0.000 0.587 279 L N 1.952 123.085 121.223 -0.149 0.000 2.375 279 L HA 0.344 4.684 4.340 0.001 0.000 0.268 279 L C 0.499 177.351 176.870 -0.029 0.000 1.058 279 L CA -1.254 53.561 54.840 -0.041 0.000 0.803 279 L CB 0.524 42.501 42.059 -0.137 0.000 1.212 279 L HN 0.216 nan 8.230 nan 0.000 0.451 280 H N 2.506 121.502 119.070 -0.123 0.000 2.848 280 H HA -0.047 4.509 4.556 0.001 0.000 0.341 280 H C 0.833 176.105 175.328 -0.095 0.000 1.060 280 H CA 0.297 56.199 56.048 -0.243 0.000 1.444 280 H CB 1.157 30.494 29.762 -0.710 0.000 1.446 280 H HN 0.768 nan 8.280 nan 0.000 0.583 281 E N 3.093 123.177 120.200 -0.193 0.000 2.130 281 E HA -0.240 4.110 4.350 0.001 0.000 0.196 281 E C 1.419 178.145 176.600 0.210 0.000 0.998 281 E CA 1.799 58.197 56.400 -0.004 0.000 0.806 281 E CB -0.210 29.415 29.700 -0.125 0.000 0.738 281 E HN 0.679 nan 8.360 nan 0.000 0.459 282 S N 0.418 116.407 115.700 0.481 0.000 2.423 282 S HA -0.150 4.321 4.470 0.001 0.000 0.238 282 S C 1.632 176.372 174.600 0.234 0.000 1.028 282 S CA 1.705 60.076 58.200 0.285 0.000 1.000 282 S CB -0.986 62.296 63.200 0.136 0.000 0.797 282 S HN 0.287 nan 8.310 nan 0.000 0.487 283 T N 1.641 116.371 114.554 0.293 0.000 3.500 283 T HA 0.241 4.591 4.350 0.001 0.000 0.244 283 T C 1.036 175.850 174.700 0.189 0.000 0.962 283 T CA -0.103 62.157 62.100 0.266 0.000 0.932 283 T CB 0.008 69.078 68.868 0.337 0.000 1.096 283 T HN 0.392 nan 8.240 nan 0.000 0.617 284 Q N 0.582 120.466 119.800 0.139 0.000 2.514 284 Q HA 0.017 4.358 4.340 0.001 0.000 0.208 284 Q C 1.317 177.365 176.000 0.080 0.000 0.938 284 Q CA 0.712 56.572 55.803 0.096 0.000 0.892 284 Q CB 0.182 28.955 28.738 0.059 0.000 1.050 284 Q HN 0.435 nan 8.270 nan 0.000 0.595 285 D N 1.381 121.824 120.400 0.072 0.000 2.205 285 D HA -0.252 4.388 4.640 0.001 0.000 0.190 285 D C 1.669 178.004 176.300 0.058 0.000 1.002 285 D CA 2.046 56.079 54.000 0.056 0.000 0.848 285 D CB -0.093 40.739 40.800 0.054 0.000 0.975 285 D HN 0.248 nan 8.370 nan 0.000 0.449 286 E N 0.154 120.398 120.200 0.074 0.000 2.045 286 E HA -0.269 4.081 4.350 0.001 0.000 0.212 286 E C 2.168 178.811 176.600 0.071 0.000 1.039 286 E CA 1.194 57.637 56.400 0.072 0.000 0.860 286 E CB -0.422 29.332 29.700 0.090 0.000 0.776 286 E HN 0.233 nan 8.360 nan 0.000 0.467 287 L N 0.070 121.359 121.223 0.109 0.000 2.054 287 L HA -0.342 3.998 4.340 0.001 0.000 0.220 287 L C 2.456 179.348 176.870 0.036 0.000 1.081 287 L CA 1.818 56.720 54.840 0.104 0.000 0.780 287 L CB -0.465 41.706 42.059 0.187 0.000 0.893 287 L HN 0.381 nan 8.230 nan 0.000 0.438 288 A N -0.624 122.216 122.820 0.032 0.000 1.948 288 A HA -0.281 4.040 4.320 0.001 0.000 0.220 288 A C 2.301 179.885 177.584 -0.001 0.000 1.177 288 A CA 1.969 54.007 52.037 0.001 0.000 0.636 288 A CB -0.594 18.411 19.000 0.008 0.000 0.815 288 A HN 0.475 nan 8.150 nan 0.000 0.449 289 R N -0.715 119.794 120.500 0.016 0.000 2.075 289 R HA -0.119 4.221 4.340 0.001 0.000 0.230 289 R C 2.272 178.577 176.300 0.008 0.000 1.140 289 R CA 1.534 57.643 56.100 0.015 0.000 0.928 289 R CB -0.280 30.035 30.300 0.025 0.000 0.834 289 R HN 0.287 nan 8.270 nan 0.000 0.429 290 K N 0.375 120.782 120.400 0.010 0.000 2.015 290 K HA -0.209 4.111 4.320 0.001 0.000 0.216 290 K C 2.162 178.755 176.600 -0.013 0.000 1.052 290 K CA 1.628 57.917 56.287 0.004 0.000 0.937 290 K CB -0.851 31.651 32.500 0.005 0.000 0.719 290 K HN 0.317 nan 8.250 nan 0.000 0.446 291 C N 0.752 120.021 119.300 -0.052 0.000 2.440 291 C HA -0.039 4.421 4.460 0.001 0.000 0.278 291 C C 2.602 177.550 174.990 -0.069 0.000 1.295 291 C CA 0.338 59.275 59.018 -0.135 0.000 1.738 291 C CB -0.618 26.956 27.740 -0.276 0.000 1.987 291 C HN 0.540 nan 8.230 nan 0.000 0.492 292 E N 0.219 120.396 120.200 -0.038 0.000 2.049 292 E HA -0.315 4.035 4.350 0.001 0.000 0.198 292 E C 2.232 178.858 176.600 0.043 0.000 1.007 292 E CA 1.609 58.008 56.400 -0.001 0.000 0.809 292 E CB -0.326 29.373 29.700 -0.001 0.000 0.749 292 E HN 0.664 nan 8.360 nan 0.000 0.450 293 Q N 0.770 120.589 119.800 0.032 0.000 1.998 293 Q HA -0.238 4.102 4.340 0.001 0.000 0.209 293 Q C 2.320 178.353 176.000 0.055 0.000 1.002 293 Q CA 2.180 58.006 55.803 0.038 0.000 0.858 293 Q CB -0.312 28.438 28.738 0.019 0.000 0.932 293 Q HN 0.180 nan 8.270 nan 0.000 0.416 294 V N 0.953 120.901 119.914 0.056 0.000 2.231 294 V HA -0.318 3.802 4.120 0.001 0.000 0.250 294 V C 2.348 178.570 176.094 0.214 0.000 1.058 294 V CA 2.288 64.641 62.300 0.089 0.000 1.022 294 V CB -0.458 31.424 31.823 0.099 0.000 0.640 294 V HN 0.435 nan 8.190 nan 0.000 0.445 295 L N -1.806 119.563 121.223 0.245 0.000 2.446 295 L HA 0.121 4.461 4.340 0.001 0.000 0.219 295 L C 1.792 178.972 176.870 0.516 0.000 1.116 295 L CA 0.718 55.802 54.840 0.408 0.000 0.844 295 L CB -0.119 42.049 42.059 0.181 0.000 0.970 295 L HN 0.287 nan 8.230 nan 0.000 0.457 296 I N -1.304 119.496 120.570 0.384 0.000 4.338 296 I HA -0.039 4.131 4.170 0.001 0.000 0.315 296 I C 2.312 178.673 176.117 0.407 0.000 1.262 296 I CA 0.380 62.014 61.300 0.557 0.000 1.298 296 I CB 0.316 38.497 38.000 0.302 0.000 1.257 296 I HN 0.141 nan 8.210 nan 0.000 0.444 297 E N 1.563 121.870 120.200 0.178 0.000 2.094 297 E HA 0.011 4.361 4.350 0.001 0.000 0.193 297 E C 1.623 178.199 176.600 -0.040 0.000 0.950 297 E CA 0.120 56.567 56.400 0.079 0.000 0.842 297 E CB -0.349 29.384 29.700 0.056 0.000 0.816 297 E HN 0.139 nan 8.360 nan 0.000 0.465 298 K N 0.111 120.450 120.400 -0.101 0.000 2.277 298 K HA -0.199 4.121 4.320 0.001 0.000 0.206 298 K C 1.622 177.976 176.600 -0.410 0.000 1.044 298 K CA 1.816 57.951 56.287 -0.253 0.000 0.932 298 K CB -0.329 31.976 32.500 -0.324 0.000 0.726 298 K HN 0.427 nan 8.250 nan 0.000 0.473 299 H N -0.485 118.444 119.070 -0.235 0.000 2.586 299 H HA 0.104 4.661 4.556 0.001 0.000 0.273 299 H C 1.698 176.618 175.328 -0.679 0.000 0.997 299 H CA -0.082 55.672 56.048 -0.489 0.000 1.177 299 H CB 0.314 29.651 29.762 -0.708 0.000 1.471 299 H HN 0.082 nan 8.280 nan 0.000 0.538 300 L N 1.104 122.168 121.223 -0.265 0.000 2.351 300 L HA -0.173 4.167 4.340 0.001 0.000 0.220 300 L C 1.968 178.727 176.870 -0.186 0.000 1.127 300 L CA 1.517 56.261 54.840 -0.160 0.000 0.786 300 L CB -0.165 41.875 42.059 -0.031 0.000 0.914 300 L HN 0.368 nan 8.230 nan 0.000 0.443 301 E N -0.187 119.978 120.200 -0.058 0.000 2.102 301 E HA -0.125 4.225 4.350 0.001 0.000 0.190 301 E C 2.243 178.891 176.600 0.079 0.000 0.971 301 E CA 0.533 56.997 56.400 0.108 0.000 0.821 301 E CB 0.165 29.903 29.700 0.064 0.000 0.777 301 E HN 0.592 nan 8.360 nan 0.000 0.460 302 I N 0.303 120.848 120.570 -0.042 0.000 2.252 302 I HA -0.200 3.970 4.170 0.001 0.000 0.245 302 I C 1.988 178.204 176.117 0.165 0.000 1.102 302 I CA 0.677 61.988 61.300 0.019 0.000 1.385 302 I CB -0.566 37.391 38.000 -0.070 0.000 1.064 302 I HN -0.004 nan 8.210 nan 0.000 0.414 303 F N 1.728 121.729 119.950 0.084 0.000 2.046 303 F HA -0.212 4.316 4.527 0.001 0.000 0.297 303 F C 2.862 178.735 175.800 0.120 0.000 1.123 303 F CA 1.345 59.395 58.000 0.083 0.000 1.199 303 F CB -1.734 37.259 39.000 -0.013 0.000 0.972 303 F HN 0.104 nan 8.300 nan 0.000 0.474 304 H N -0.344 118.909 119.070 0.304 0.000 2.400 304 H HA -0.156 4.400 4.556 0.001 0.000 0.295 304 H C 2.165 177.628 175.328 0.226 0.000 1.118 304 H CA 2.112 58.270 56.048 0.183 0.000 1.256 304 H CB -1.058 28.758 29.762 0.091 0.000 1.365 304 H HN 0.239 nan 8.280 nan 0.000 0.502 305 T N 0.193 114.944 114.554 0.327 0.000 2.770 305 T HA -0.118 4.232 4.350 0.001 0.000 0.263 305 T C 2.048 176.908 174.700 0.267 0.000 1.039 305 T CA 1.442 63.691 62.100 0.249 0.000 1.142 305 T CB -0.000 68.971 68.868 0.172 0.000 0.868 305 T HN 0.336 nan 8.240 nan 0.000 0.435 306 E N 1.051 121.424 120.200 0.287 0.000 2.047 306 E HA -0.103 4.247 4.350 0.001 0.000 0.191 306 E C 1.769 178.527 176.600 0.262 0.000 0.987 306 E CA 0.939 57.488 56.400 0.248 0.000 0.799 306 E CB -0.683 29.184 29.700 0.279 0.000 0.752 306 E HN 0.386 nan 8.360 nan 0.000 0.449 307 F N 1.609 121.672 119.950 0.187 0.000 2.050 307 F HA -0.399 4.129 4.527 0.001 0.000 0.294 307 F C 2.418 178.318 175.800 0.167 0.000 1.113 307 F CA 2.745 60.851 58.000 0.177 0.000 1.225 307 F CB -0.966 38.152 39.000 0.197 0.000 0.953 307 F HN 0.212 nan 8.300 nan 0.000 0.501 308 Q N 0.904 120.919 119.800 0.359 0.000 2.248 308 Q HA -0.232 4.108 4.340 0.001 0.000 0.208 308 Q C 1.720 177.797 176.000 0.129 0.000 0.984 308 Q CA 2.115 58.064 55.803 0.243 0.000 0.875 308 Q CB -0.672 28.222 28.738 0.259 0.000 0.910 308 Q HN 0.522 nan 8.270 nan 0.000 0.433 309 N N -0.310 118.454 118.700 0.106 0.000 2.062 309 N HA -0.095 4.645 4.740 0.001 0.000 0.191 309 N C 1.789 177.313 175.510 0.025 0.000 1.042 309 N CA 1.648 54.743 53.050 0.075 0.000 0.845 309 N CB -0.485 38.052 38.487 0.083 0.000 1.024 309 N HN 0.313 nan 8.380 nan 0.000 0.424 310 L N 1.196 122.404 121.223 -0.026 0.000 1.978 310 L HA -0.206 4.135 4.340 0.001 0.000 0.218 310 L C 2.401 179.206 176.870 -0.108 0.000 1.075 310 L CA 1.110 55.904 54.840 -0.076 0.000 0.767 310 L CB -0.921 41.059 42.059 -0.132 0.000 0.890 310 L HN 0.188 nan 8.230 nan 0.000 0.434 311 L N -0.081 121.016 121.223 -0.210 0.000 2.103 311 L HA -0.302 4.039 4.340 0.001 0.000 0.215 311 L C 2.353 179.172 176.870 -0.085 0.000 1.080 311 L CA 1.960 56.639 54.840 -0.268 0.000 0.764 311 L CB -1.016 40.837 42.059 -0.344 0.000 0.890 311 L HN 0.474 nan 8.230 nan 0.000 0.435 312 D N -0.690 119.773 120.400 0.104 0.000 2.137 312 D HA 0.002 4.642 4.640 0.001 0.000 0.202 312 D C 1.317 177.673 176.300 0.094 0.000 0.970 312 D CA 0.997 55.112 54.000 0.193 0.000 0.837 312 D CB 0.300 41.187 40.800 0.145 0.000 0.981 312 D HN 0.313 nan 8.370 nan 0.000 0.475 313 A N 0.558 123.401 122.820 0.039 0.000 2.599 313 A HA 0.229 4.549 4.320 0.001 0.000 0.257 313 A C 0.219 177.795 177.584 -0.013 0.000 1.641 313 A CA -0.051 51.995 52.037 0.014 0.000 0.842 313 A CB 0.380 19.383 19.000 0.005 0.000 1.599 313 A HN -0.100 nan 8.150 nan 0.000 0.585 314 D N -0.663 119.716 120.400 -0.035 0.000 2.837 314 D HA 0.152 4.792 4.640 0.001 0.000 0.340 314 D C -0.665 175.589 176.300 -0.076 0.000 1.451 314 D CA -0.071 53.889 54.000 -0.067 0.000 0.798 314 D CB 0.240 40.995 40.800 -0.075 0.000 1.169 314 D HN 0.401 nan 8.370 nan 0.000 0.449 315 K N 1.026 121.390 120.400 -0.061 0.000 2.652 315 K HA 0.072 4.392 4.320 0.001 0.000 0.239 315 K C 1.077 177.632 176.600 -0.075 0.000 1.235 315 K CA 0.003 56.258 56.287 -0.054 0.000 1.191 315 K CB -0.232 32.250 32.500 -0.030 0.000 1.348 315 K HN 0.244 nan 8.250 nan 0.000 0.239 316 N N 1.663 120.303 118.700 -0.100 0.000 2.011 316 N HA -0.262 4.479 4.740 0.001 0.000 0.199 316 N C 1.624 177.070 175.510 -0.107 0.000 1.047 316 N CA 0.963 53.931 53.050 -0.135 0.000 0.863 316 N CB -0.023 38.364 38.487 -0.166 0.000 1.056 316 N HN 0.398 nan 8.380 nan 0.000 0.427 317 E N 1.097 121.246 120.200 -0.085 0.000 2.277 317 E HA -0.296 4.054 4.350 0.001 0.000 0.216 317 E C 0.973 177.548 176.600 -0.041 0.000 1.068 317 E CA 1.706 58.070 56.400 -0.060 0.000 0.866 317 E CB -0.152 29.519 29.700 -0.048 0.000 0.749 317 E HN 0.383 nan 8.360 nan 0.000 0.465 318 D N -0.137 120.244 120.400 -0.033 0.000 2.165 318 D HA -0.116 4.524 4.640 0.001 0.000 0.213 318 D C 2.125 178.425 176.300 -0.001 0.000 0.983 318 D CA 0.445 54.437 54.000 -0.013 0.000 0.881 318 D CB -0.720 40.081 40.800 0.001 0.000 1.028 318 D HN 0.134 nan 8.370 nan 0.000 0.457 319 L N 1.650 122.866 121.223 -0.012 0.000 2.085 319 L HA -0.203 4.138 4.340 0.001 0.000 0.218 319 L C 2.170 179.119 176.870 0.132 0.000 1.080 319 L CA 2.376 57.231 54.840 0.026 0.000 0.776 319 L CB -1.152 40.865 42.059 -0.069 0.000 0.891 319 L HN 0.121 nan 8.230 nan 0.000 0.437 320 G N -0.564 108.247 108.800 0.018 0.000 2.404 320 G HA2 -0.298 3.663 3.960 0.001 0.000 0.215 320 G HA3 -0.298 3.663 3.960 0.001 0.000 0.215 320 G C 1.500 176.444 174.900 0.074 0.000 1.174 320 G CA 0.706 45.823 45.100 0.029 0.000 0.780 320 G HN 0.628 nan 8.290 nan 0.000 0.537 321 R N -0.246 120.260 120.500 0.010 0.000 2.339 321 R HA 0.315 4.655 4.340 0.001 0.000 0.199 321 R C 2.107 178.367 176.300 -0.067 0.000 1.018 321 R CA 1.003 57.087 56.100 -0.028 0.000 1.036 321 R CB -0.367 29.898 30.300 -0.058 0.000 0.899 321 R HN 0.455 nan 8.270 nan 0.000 0.473 322 M N 0.081 119.674 119.600 -0.012 0.000 2.171 322 M HA -0.084 4.396 4.480 0.001 0.000 0.260 322 M C 1.725 178.011 176.300 -0.023 0.000 1.087 322 M CA 1.308 56.562 55.300 -0.076 0.000 1.154 322 M CB -0.189 32.461 32.600 0.083 0.000 1.331 322 M HN 0.212 nan 8.290 nan 0.000 0.431 323 Y N 1.421 121.804 120.300 0.138 0.000 2.538 323 Y HA -0.187 4.363 4.550 0.001 0.000 0.287 323 Y C 1.309 177.237 175.900 0.047 0.000 1.157 323 Y CA 1.857 60.036 58.100 0.133 0.000 1.338 323 Y CB -0.570 38.053 38.460 0.270 0.000 0.970 323 Y HN 0.483 nan 8.280 nan 0.000 0.564 324 N N -0.978 117.621 118.700 -0.168 0.000 2.439 324 N HA 0.016 4.757 4.740 0.001 0.000 0.176 324 N C 1.583 176.976 175.510 -0.194 0.000 1.029 324 N CA 0.528 53.471 53.050 -0.179 0.000 0.886 324 N CB 0.107 38.565 38.487 -0.049 0.000 1.057 324 N HN 0.315 nan 8.380 nan 0.000 0.437 325 L N 0.990 122.098 121.223 -0.191 0.000 2.095 325 L HA -0.046 4.294 4.340 0.001 0.000 0.204 325 L C 2.183 178.966 176.870 -0.145 0.000 1.080 325 L CA 0.670 55.404 54.840 -0.177 0.000 0.759 325 L CB -0.088 41.816 42.059 -0.259 0.000 0.914 325 L HN -0.017 nan 8.230 nan 0.000 0.439 326 V N -0.226 119.577 119.914 -0.184 0.000 2.237 326 V HA -0.301 3.819 4.120 0.001 0.000 0.245 326 V C 2.629 178.647 176.094 -0.128 0.000 1.046 326 V CA 1.883 64.117 62.300 -0.110 0.000 1.007 326 V CB -0.890 30.864 31.823 -0.116 0.000 0.638 326 V HN 0.677 nan 8.190 nan 0.000 0.445 327 S N 0.992 116.535 115.700 -0.263 0.000 2.432 327 S HA -0.369 4.101 4.470 0.001 0.000 0.243 327 S C 1.858 176.387 174.600 -0.118 0.000 1.069 327 S CA 1.986 60.029 58.200 -0.262 0.000 1.047 327 S CB -0.778 62.152 63.200 -0.451 0.000 0.854 327 S HN 0.599 nan 8.310 nan 0.000 0.474 328 R N 0.445 120.888 120.500 -0.096 0.000 2.339 328 R HA 0.229 4.569 4.340 0.001 0.000 0.199 328 R C -0.183 176.107 176.300 -0.017 0.000 1.018 328 R CA 0.360 56.432 56.100 -0.047 0.000 1.036 328 R CB -0.255 30.020 30.300 -0.042 0.000 0.899 328 R HN 0.435 nan 8.270 nan 0.000 0.473 329 I N 1.959 122.522 120.570 -0.012 0.000 2.433 329 I HA 0.059 4.229 4.170 0.001 0.000 0.292 329 I C 0.390 176.515 176.117 0.013 0.000 1.001 329 I CA -1.610 59.697 61.300 0.012 0.000 1.119 329 I CB 1.568 39.588 38.000 0.033 0.000 1.289 329 I HN 0.091 nan 8.210 nan 0.000 0.438 330 Q N 4.515 124.325 119.800 0.017 0.000 2.478 330 Q HA -0.106 4.234 4.340 0.001 0.000 0.323 330 Q C -0.334 175.679 176.000 0.021 0.000 1.087 330 Q CA 0.230 56.044 55.803 0.018 0.000 1.056 330 Q CB -0.179 28.570 28.738 0.017 0.000 1.018 330 Q HN 0.551 nan 8.270 nan 0.000 0.387 331 D N 2.484 122.896 120.400 0.020 0.000 2.913 331 D HA -0.222 4.418 4.640 0.001 0.000 0.228 331 D C 0.888 177.204 176.300 0.026 0.000 1.180 331 D CA 1.349 55.360 54.000 0.019 0.000 0.761 331 D CB -1.069 39.738 40.800 0.011 0.000 1.085 331 D HN 0.908 nan 8.370 nan 0.000 0.420 332 G N -0.741 108.081 108.800 0.036 0.000 2.776 332 G HA2 0.050 4.010 3.960 0.001 0.000 0.209 332 G HA3 0.050 4.010 3.960 0.001 0.000 0.209 332 G C 1.590 176.538 174.900 0.080 0.000 1.145 332 G CA 0.100 45.240 45.100 0.067 0.000 0.791 332 G HN 0.306 nan 8.290 nan 0.000 0.530 333 L N 0.704 121.950 121.223 0.038 0.000 2.209 333 L HA 0.234 4.574 4.340 0.001 0.000 0.207 333 L C 2.967 179.801 176.870 -0.060 0.000 1.094 333 L CA 1.077 55.927 54.840 0.017 0.000 0.790 333 L CB -0.701 41.403 42.059 0.075 0.000 0.932 333 L HN 0.189 nan 8.230 nan 0.000 0.447 334 G N -0.045 108.721 108.800 -0.057 0.000 2.803 334 G HA2 -0.460 3.501 3.960 0.001 0.000 0.227 334 G HA3 -0.460 3.501 3.960 0.001 0.000 0.227 334 G C 1.577 176.389 174.900 -0.146 0.000 1.129 334 G CA 1.618 46.656 45.100 -0.104 0.000 0.755 334 G HN 0.380 nan 8.290 nan 0.000 0.634 335 E N 0.359 120.486 120.200 -0.120 0.000 2.028 335 E HA 0.014 4.364 4.350 0.001 0.000 0.191 335 E C 2.774 179.248 176.600 -0.210 0.000 0.988 335 E CA 0.791 57.080 56.400 -0.184 0.000 0.799 335 E CB -0.483 28.977 29.700 -0.399 0.000 0.755 335 E HN 0.489 nan 8.360 nan 0.000 0.447 336 L N 1.023 122.071 121.223 -0.290 0.000 1.990 336 L HA -0.268 4.072 4.340 0.001 0.000 0.213 336 L C 2.731 179.340 176.870 -0.435 0.000 1.072 336 L CA 1.886 56.315 54.840 -0.685 0.000 0.755 336 L CB -1.016 40.551 42.059 -0.820 0.000 0.889 336 L HN 0.186 nan 8.230 nan 0.000 0.432 337 K N 1.415 121.480 120.400 -0.559 0.000 2.020 337 K HA -0.239 4.082 4.320 0.001 0.000 0.212 337 K C 2.007 178.429 176.600 -0.296 0.000 1.050 337 K CA 1.916 57.796 56.287 -0.678 0.000 0.929 337 K CB -0.201 31.878 32.500 -0.701 0.000 0.714 337 K HN 0.308 nan 8.250 nan 0.000 0.443 338 K N 0.277 120.554 120.400 -0.205 0.000 2.148 338 K HA -0.117 4.203 4.320 0.001 0.000 0.204 338 K C 2.175 178.756 176.600 -0.031 0.000 1.050 338 K CA 0.701 56.926 56.287 -0.102 0.000 0.942 338 K CB -0.133 32.312 32.500 -0.091 0.000 0.724 338 K HN 0.057 nan 8.250 nan 0.000 0.446 339 L N 1.390 122.595 121.223 -0.030 0.000 1.988 339 L HA -0.158 4.183 4.340 0.001 0.000 0.207 339 L C 2.166 179.166 176.870 0.216 0.000 1.071 339 L CA 1.374 56.274 54.840 0.101 0.000 0.744 339 L CB -1.011 41.113 42.059 0.109 0.000 0.893 339 L HN 0.105 nan 8.230 nan 0.000 0.433 340 L N 0.227 121.608 121.223 0.264 0.000 1.990 340 L HA -0.273 4.068 4.340 0.001 0.000 0.213 340 L C 2.519 179.502 176.870 0.188 0.000 1.072 340 L CA 2.460 57.491 54.840 0.319 0.000 0.755 340 L CB -1.181 41.075 42.059 0.329 0.000 0.889 340 L HN 0.596 nan 8.230 nan 0.000 0.432 341 E N -1.360 118.899 120.200 0.098 0.000 2.147 341 E HA -0.278 4.073 4.350 0.001 0.000 0.199 341 E C 1.863 178.539 176.600 0.127 0.000 1.005 341 E CA 2.027 58.475 56.400 0.081 0.000 0.810 341 E CB -0.189 29.524 29.700 0.022 0.000 0.736 341 E HN 0.654 nan 8.360 nan 0.000 0.460 342 T N -0.735 113.897 114.554 0.130 0.000 2.821 342 T HA -0.165 4.186 4.350 0.001 0.000 0.267 342 T C 1.436 176.196 174.700 0.101 0.000 1.046 342 T CA 1.467 63.651 62.100 0.139 0.000 1.139 342 T CB -0.452 68.474 68.868 0.097 0.000 0.871 342 T HN 0.413 nan 8.240 nan 0.000 0.454 343 H N 1.478 120.570 119.070 0.038 0.000 2.289 343 H HA -0.065 4.491 4.556 0.001 0.000 0.296 343 H C 2.034 177.289 175.328 -0.122 0.000 1.091 343 H CA 2.118 58.148 56.048 -0.030 0.000 1.274 343 H CB -0.229 29.516 29.762 -0.029 0.000 1.364 343 H HN 0.507 nan 8.280 nan 0.000 0.490 344 I N -1.761 118.805 120.570 -0.006 0.000 3.419 344 I HA 0.012 4.183 4.170 0.001 0.000 0.286 344 I C 2.128 178.230 176.117 -0.026 0.000 1.268 344 I CA 0.859 62.016 61.300 -0.237 0.000 1.414 344 I CB -0.344 37.346 38.000 -0.517 0.000 1.074 344 I HN 0.223 nan 8.210 nan 0.000 0.457 345 H N 2.597 121.643 119.070 -0.040 0.000 2.357 345 H HA -0.071 4.486 4.556 0.001 0.000 0.301 345 H C 1.779 177.058 175.328 -0.082 0.000 1.082 345 H CA 1.978 58.042 56.048 0.026 0.000 1.342 345 H CB -0.224 29.569 29.762 0.053 0.000 1.389 345 H HN 0.322 nan 8.280 nan 0.000 0.511 346 N N 0.094 118.631 118.700 -0.272 0.000 2.300 346 N HA -0.097 4.643 4.740 0.001 0.000 0.179 346 N C 1.817 177.159 175.510 -0.281 0.000 1.016 346 N CA 0.566 53.399 53.050 -0.362 0.000 0.876 346 N CB 0.057 38.343 38.487 -0.335 0.000 0.979 346 N HN 0.444 nan 8.380 nan 0.000 0.432 347 Q N 0.617 120.271 119.800 -0.245 0.000 1.990 347 Q HA 0.002 4.342 4.340 0.001 0.000 0.200 347 Q C 2.138 178.009 176.000 -0.214 0.000 0.980 347 Q CA 1.309 57.026 55.803 -0.143 0.000 0.832 347 Q CB -0.939 27.836 28.738 0.061 0.000 0.897 347 Q HN 0.361 nan 8.270 nan 0.000 0.427 348 G N 1.262 109.825 108.800 -0.395 0.000 2.479 348 G HA2 -0.198 3.762 3.960 0.001 0.000 0.220 348 G HA3 -0.198 3.762 3.960 0.001 0.000 0.220 348 G C 1.424 175.900 174.900 -0.707 0.000 1.115 348 G CA 0.266 44.860 45.100 -0.843 0.000 0.757 348 G HN 0.164 nan 8.290 nan 0.000 0.560 349 L N 0.902 121.855 121.223 -0.449 0.000 1.973 349 L HA 0.074 4.414 4.340 0.001 0.000 0.208 349 L C 3.183 179.948 176.870 -0.174 0.000 1.073 349 L CA 2.194 56.883 54.840 -0.252 0.000 0.746 349 L CB -1.297 40.627 42.059 -0.226 0.000 0.891 349 L HN 0.319 nan 8.230 nan 0.000 0.433 350 A N -0.663 122.062 122.820 -0.159 0.000 1.930 350 A HA -0.086 4.234 4.320 0.001 0.000 0.217 350 A C 2.450 179.981 177.584 -0.089 0.000 1.175 350 A CA 1.649 53.626 52.037 -0.100 0.000 0.627 350 A CB -0.717 18.229 19.000 -0.090 0.000 0.815 350 A HN 0.497 nan 8.150 nan 0.000 0.443 351 A N 1.067 123.818 122.820 -0.114 0.000 1.870 351 A HA -0.252 4.068 4.320 0.001 0.000 0.219 351 A C 2.105 179.637 177.584 -0.087 0.000 1.224 351 A CA 2.256 54.234 52.037 -0.099 0.000 0.650 351 A CB -1.079 17.841 19.000 -0.133 0.000 0.836 351 A HN 1.277 nan 8.150 nan 0.000 0.454 352 I N -2.298 118.201 120.570 -0.118 0.000 2.916 352 I HA -0.061 4.110 4.170 0.001 0.000 0.267 352 I C 1.807 177.919 176.117 -0.010 0.000 1.263 352 I CA 2.311 63.567 61.300 -0.074 0.000 1.471 352 I CB -0.204 37.744 38.000 -0.087 0.000 1.089 352 I HN 0.526 nan 8.210 nan 0.000 0.468 353 E N 1.464 121.652 120.200 -0.020 0.000 2.190 353 E HA -0.081 4.270 4.350 0.001 0.000 0.191 353 E C 1.903 178.505 176.600 0.004 0.000 0.978 353 E CA 0.235 56.637 56.400 0.003 0.000 0.839 353 E CB 0.110 29.805 29.700 -0.009 0.000 0.787 353 E HN 0.541 nan 8.360 nan 0.000 0.473 354 K N -0.056 120.338 120.400 -0.010 0.000 2.360 354 K HA -0.109 4.211 4.320 0.001 0.000 0.201 354 K C 1.988 178.591 176.600 0.006 0.000 1.046 354 K CA 1.185 57.469 56.287 -0.005 0.000 0.945 354 K CB 0.042 32.534 32.500 -0.013 0.000 0.750 354 K HN 0.362 nan 8.250 nan 0.000 0.464 355 C N -0.969 118.339 119.300 0.013 0.000 2.519 355 C HA 0.241 4.702 4.460 0.001 0.000 0.297 355 C C 1.493 176.510 174.990 0.045 0.000 1.414 355 C CA -0.574 58.461 59.018 0.029 0.000 1.893 355 C CB -1.034 26.728 27.740 0.036 0.000 2.134 355 C HN 0.296 nan 8.230 nan 0.000 0.580 356 G N 0.280 109.117 108.800 0.062 0.000 2.332 356 G HA2 0.574 4.534 3.960 0.001 0.000 0.310 356 G HA3 0.574 4.534 3.960 0.001 0.000 0.310 356 G C -0.170 174.761 174.900 0.052 0.000 1.123 356 G CA 0.058 45.200 45.100 0.070 0.000 0.873 356 G HN 0.634 nan 8.290 nan 0.000 0.460 357 E N 1.263 121.488 120.200 0.042 0.000 3.777 357 E HA 0.168 4.519 4.350 0.001 0.000 0.247 357 E C 1.240 177.858 176.600 0.028 0.000 1.256 357 E CA 0.287 56.706 56.400 0.031 0.000 1.786 357 E CB 0.630 30.345 29.700 0.024 0.000 1.722 357 E HN 0.502 nan 8.360 nan 0.000 0.810 358 A N 0.364 123.200 122.820 0.027 0.000 2.631 358 A HA 0.647 4.967 4.320 0.001 0.000 0.294 358 A C 0.761 178.363 177.584 0.029 0.000 1.156 358 A CA 0.430 52.481 52.037 0.024 0.000 0.963 358 A CB 0.346 19.357 19.000 0.018 0.000 1.202 358 A HN 0.204 nan 8.150 nan 0.000 0.523 359 A N -0.470 122.373 122.820 0.040 0.000 2.469 359 A HA 0.400 4.721 4.320 0.001 0.000 0.245 359 A C 1.461 179.088 177.584 0.071 0.000 1.221 359 A CA 0.639 52.706 52.037 0.050 0.000 0.946 359 A CB -0.326 18.704 19.000 0.050 0.000 1.049 359 A HN 0.976 nan 8.150 nan 0.000 0.529 360 L N -1.962 119.302 121.223 0.068 0.000 2.418 360 L HA 0.254 4.594 4.340 0.001 0.000 0.218 360 L C 0.846 177.735 176.870 0.032 0.000 1.125 360 L CA 1.652 56.537 54.840 0.075 0.000 0.835 360 L CB -1.193 40.899 42.059 0.055 0.000 0.953 360 L HN 0.162 nan 8.230 nan 0.000 0.454 361 N N 1.151 119.868 118.700 0.028 0.000 2.581 361 N HA -0.052 4.689 4.740 0.001 0.000 0.230 361 N C -0.608 174.915 175.510 0.022 0.000 1.310 361 N CA 0.148 53.207 53.050 0.015 0.000 0.886 361 N CB -0.466 38.030 38.487 0.015 0.000 1.205 361 N HN 0.518 nan 8.380 nan 0.000 0.488 362 D N -0.790 119.631 120.400 0.034 0.000 2.381 362 D HA 0.180 4.820 4.640 0.001 0.000 0.245 362 D C -2.017 174.319 176.300 0.060 0.000 1.297 362 D CA -1.620 52.407 54.000 0.045 0.000 0.931 362 D CB 1.301 42.134 40.800 0.055 0.000 1.334 362 D HN -0.025 nan 8.370 nan 0.000 0.535 363 P HA -0.256 nan 4.420 nan 0.000 0.219 363 P C 1.385 178.740 177.300 0.092 0.000 1.159 363 P CA 1.689 64.808 63.100 0.032 0.000 0.944 363 P CB 0.377 32.087 31.700 0.016 0.000 0.792 364 K N -0.950 119.500 120.400 0.083 0.000 1.985 364 K HA -0.160 4.160 4.320 0.001 0.000 0.210 364 K C 2.194 178.869 176.600 0.125 0.000 1.047 364 K CA 1.791 58.137 56.287 0.098 0.000 0.932 364 K CB -0.773 31.766 32.500 0.065 0.000 0.716 364 K HN -0.012 nan 8.250 nan 0.000 0.439 365 M N 0.242 119.905 119.600 0.105 0.000 2.124 365 M HA -0.314 4.167 4.480 0.001 0.000 0.253 365 M C 2.069 178.445 176.300 0.126 0.000 1.077 365 M CA 2.138 57.495 55.300 0.096 0.000 1.085 365 M CB -0.414 32.236 32.600 0.083 0.000 1.320 365 M HN 0.364 nan 8.290 nan 0.000 0.404 366 Y N 0.067 120.394 120.300 0.045 0.000 2.097 366 Y HA -0.224 4.326 4.550 0.001 0.000 0.282 366 Y C 1.893 177.837 175.900 0.074 0.000 1.152 366 Y CA 2.205 60.341 58.100 0.059 0.000 1.136 366 Y CB -0.489 38.004 38.460 0.054 0.000 0.975 366 Y HN 0.061 nan 8.280 nan 0.000 0.498 367 V N 0.666 120.767 119.914 0.313 0.000 2.719 367 V HA -0.192 3.928 4.120 0.001 0.000 0.252 367 V C 2.302 178.454 176.094 0.096 0.000 1.065 367 V CA 1.398 63.869 62.300 0.284 0.000 1.086 367 V CB -0.442 31.522 31.823 0.236 0.000 0.700 367 V HN 0.406 nan 8.190 nan 0.000 0.467 368 Q N 0.258 120.111 119.800 0.089 0.000 1.948 368 Q HA -0.203 4.137 4.340 0.001 0.000 0.205 368 Q C 2.404 178.419 176.000 0.026 0.000 0.992 368 Q CA 2.550 58.386 55.803 0.057 0.000 0.849 368 Q CB -1.033 27.737 28.738 0.054 0.000 0.918 368 Q HN 0.604 nan 8.270 nan 0.000 0.421 369 T N 1.474 116.023 114.554 -0.008 0.000 2.635 369 T HA -0.217 4.133 4.350 0.001 0.000 0.265 369 T C 2.035 176.719 174.700 -0.025 0.000 1.058 369 T CA 2.288 64.364 62.100 -0.040 0.000 1.162 369 T CB -0.719 68.091 68.868 -0.097 0.000 0.859 369 T HN 0.113 nan 8.240 nan 0.000 0.449 370 V N 1.062 120.947 119.914 -0.048 0.000 2.252 370 V HA -0.180 3.941 4.120 0.001 0.000 0.249 370 V C 2.406 178.618 176.094 0.197 0.000 1.056 370 V CA 1.905 64.278 62.300 0.122 0.000 1.022 370 V CB -0.724 31.152 31.823 0.087 0.000 0.641 370 V HN 0.376 nan 8.190 nan 0.000 0.445 371 L N -0.612 120.691 121.223 0.134 0.000 2.044 371 L HA -0.124 4.216 4.340 0.001 0.000 0.205 371 L C 2.436 179.416 176.870 0.183 0.000 1.075 371 L CA 1.572 56.523 54.840 0.185 0.000 0.747 371 L CB -0.497 41.637 42.059 0.125 0.000 0.903 371 L HN 0.331 nan 8.230 nan 0.000 0.435 372 D N -0.380 120.082 120.400 0.104 0.000 2.205 372 D HA -0.249 4.391 4.640 0.001 0.000 0.190 372 D C 2.193 178.540 176.300 0.080 0.000 1.002 372 D CA 2.176 56.213 54.000 0.062 0.000 0.848 372 D CB -0.533 40.285 40.800 0.029 0.000 0.975 372 D HN 0.160 nan 8.370 nan 0.000 0.449 373 V N 0.790 120.771 119.914 0.112 0.000 2.250 373 V HA -0.336 3.784 4.120 0.001 0.000 0.253 373 V C 2.368 178.624 176.094 0.269 0.000 1.065 373 V CA 2.453 64.860 62.300 0.178 0.000 1.039 373 V CB -0.894 31.027 31.823 0.164 0.000 0.647 373 V HN 0.331 nan 8.190 nan 0.000 0.446 374 H N 0.851 120.060 119.070 0.232 0.000 2.289 374 H HA -0.192 4.364 4.556 0.001 0.000 0.294 374 H C 2.236 177.659 175.328 0.158 0.000 1.095 374 H CA 2.217 58.403 56.048 0.230 0.000 1.256 374 H CB -0.195 29.674 29.762 0.178 0.000 1.359 374 H HN 0.221 nan 8.280 nan 0.000 0.487 375 K N 0.843 121.154 120.400 -0.149 0.000 2.020 375 K HA -0.203 4.118 4.320 0.001 0.000 0.212 375 K C 2.295 178.778 176.600 -0.196 0.000 1.050 375 K CA 1.730 57.891 56.287 -0.211 0.000 0.929 375 K CB -0.655 31.796 32.500 -0.081 0.000 0.714 375 K HN 0.469 nan 8.250 nan 0.000 0.443 376 K N 0.152 120.441 120.400 -0.184 0.000 2.034 376 K HA -0.218 4.103 4.320 0.001 0.000 0.214 376 K C 2.188 178.541 176.600 -0.412 0.000 1.051 376 K CA 1.919 58.003 56.287 -0.339 0.000 0.931 376 K CB -0.310 31.887 32.500 -0.505 0.000 0.715 376 K HN 0.167 nan 8.250 nan 0.000 0.446 377 Y N 0.263 120.534 120.300 -0.048 0.000 2.337 377 Y HA -0.039 4.511 4.550 0.001 0.000 0.293 377 Y C 2.285 178.165 175.900 -0.034 0.000 1.123 377 Y CA 1.284 59.381 58.100 -0.006 0.000 1.201 377 Y CB -0.230 38.285 38.460 0.093 0.000 1.011 377 Y HN 0.352 nan 8.280 nan 0.000 0.545 378 N N 0.354 119.038 118.700 -0.026 0.000 2.106 378 N HA -0.209 4.531 4.740 0.001 0.000 0.188 378 N C 2.126 177.589 175.510 -0.077 0.000 1.029 378 N CA 0.929 53.939 53.050 -0.067 0.000 0.848 378 N CB -0.166 38.158 38.487 -0.272 0.000 1.007 378 N HN 0.288 nan 8.380 nan 0.000 0.423 379 A N 1.374 124.113 122.820 -0.134 0.000 1.896 379 A HA -0.214 4.106 4.320 0.001 0.000 0.220 379 A C 2.124 179.608 177.584 -0.167 0.000 1.206 379 A CA 1.488 53.438 52.037 -0.145 0.000 0.647 379 A CB -1.051 17.847 19.000 -0.170 0.000 0.828 379 A HN 0.439 nan 8.150 nan 0.000 0.455 380 L N -0.584 120.527 121.223 -0.187 0.000 2.201 380 L HA -0.045 4.295 4.340 0.001 0.000 0.212 380 L C 2.355 178.997 176.870 -0.379 0.000 1.105 380 L CA 1.408 56.077 54.840 -0.285 0.000 0.775 380 L CB -0.288 41.623 42.059 -0.247 0.000 0.913 380 L HN 0.157 nan 8.230 nan 0.000 0.440 381 V N -0.279 119.555 119.914 -0.134 0.000 2.261 381 V HA -0.366 3.754 4.120 0.001 0.000 0.246 381 V C 2.479 178.471 176.094 -0.170 0.000 1.047 381 V CA 2.475 64.752 62.300 -0.038 0.000 1.015 381 V CB -0.408 31.496 31.823 0.136 0.000 0.642 381 V HN 0.440 nan 8.190 nan 0.000 0.446 382 M N 0.448 119.972 119.600 -0.127 0.000 2.084 382 M HA -0.176 4.304 4.480 0.001 0.000 0.259 382 M C 2.513 178.704 176.300 -0.181 0.000 1.072 382 M CA 2.547 57.773 55.300 -0.122 0.000 1.107 382 M CB -0.860 31.689 32.600 -0.084 0.000 1.299 382 M HN 0.557 nan 8.290 nan 0.000 0.413 383 S N 0.940 116.518 115.700 -0.205 0.000 2.363 383 S HA -0.138 4.333 4.470 0.001 0.000 0.218 383 S C 2.182 176.608 174.600 -0.291 0.000 1.035 383 S CA 1.263 59.335 58.200 -0.215 0.000 1.043 383 S CB -1.011 62.064 63.200 -0.207 0.000 0.986 383 S HN 0.467 nan 8.310 nan 0.000 0.423 384 A N 1.460 123.992 122.820 -0.481 0.000 1.841 384 A HA 0.213 4.533 4.320 0.001 0.000 0.214 384 A C 1.632 178.820 177.584 -0.659 0.000 1.195 384 A CA 1.300 52.938 52.037 -0.666 0.000 0.611 384 A CB -0.973 17.323 19.000 -1.172 0.000 0.835 384 A HN 0.590 nan 8.150 nan 0.000 0.443 385 F N 0.119 119.734 119.950 -0.559 0.000 2.660 385 F HA 0.273 4.800 4.527 0.001 0.000 0.297 385 F C 0.864 175.918 175.800 -1.244 0.000 1.132 385 F CA -0.457 56.713 58.000 -1.383 0.000 1.372 385 F CB -1.604 36.305 39.000 -1.818 0.000 1.003 385 F HN 0.512 nan 8.300 nan 0.000 0.524 386 N N 1.848 120.269 118.700 -0.466 0.000 2.708 386 N HA -0.386 4.354 4.740 0.001 0.000 0.249 386 N C 0.423 175.849 175.510 -0.140 0.000 1.097 386 N CA 0.647 53.571 53.050 -0.209 0.000 0.710 386 N CB -0.953 37.513 38.487 -0.035 0.000 1.032 386 N HN 0.479 nan 8.380 nan 0.000 0.551 387 N N 0.293 118.909 118.700 -0.141 0.000 2.693 387 N HA -0.244 4.497 4.740 0.001 0.000 0.249 387 N C -0.846 174.680 175.510 0.026 0.000 1.119 387 N CA 1.354 54.386 53.050 -0.030 0.000 0.717 387 N CB -0.714 37.768 38.487 -0.008 0.000 1.071 387 N HN 0.580 nan 8.380 nan 0.000 0.555 388 D N -0.502 119.898 120.400 -0.000 0.000 2.525 388 D HA 0.083 4.723 4.640 0.001 0.000 0.235 388 D C 1.388 177.815 176.300 0.213 0.000 1.137 388 D CA 0.833 54.923 54.000 0.151 0.000 0.868 388 D CB 0.834 41.794 40.800 0.267 0.000 1.180 388 D HN 0.397 nan 8.370 nan 0.000 0.465 389 A N 4.165 127.084 122.820 0.165 0.000 1.948 389 A HA -0.135 4.185 4.320 0.001 0.000 0.220 389 A C 2.123 179.786 177.584 0.132 0.000 1.177 389 A CA 2.069 54.182 52.037 0.127 0.000 0.636 389 A CB -0.990 18.064 19.000 0.089 0.000 0.815 389 A HN 0.730 nan 8.150 nan 0.000 0.449 390 G N -1.301 107.587 108.800 0.147 0.000 2.469 390 G HA2 -0.206 3.754 3.960 0.001 0.000 0.220 390 G HA3 -0.206 3.754 3.960 0.001 0.000 0.220 390 G C 1.278 176.122 174.900 -0.092 0.000 1.136 390 G CA 1.314 46.419 45.100 0.008 0.000 0.759 390 G HN 0.483 nan 8.290 nan 0.000 0.562 391 F N 0.198 120.167 119.950 0.030 0.000 2.387 391 F HA 0.114 4.642 4.527 0.001 0.000 0.294 391 F C 2.725 178.577 175.800 0.087 0.000 1.093 391 F CA 0.186 58.212 58.000 0.043 0.000 1.420 391 F CB -0.533 38.507 39.000 0.067 0.000 1.086 391 F HN -0.041 nan 8.300 nan 0.000 0.531 392 V N 0.529 120.606 119.914 0.270 0.000 2.282 392 V HA -0.346 3.775 4.120 0.001 0.000 0.249 392 V C 2.674 178.850 176.094 0.137 0.000 1.057 392 V CA 1.832 64.246 62.300 0.189 0.000 1.032 392 V CB -1.652 30.255 31.823 0.139 0.000 0.645 392 V HN 0.343 nan 8.190 nan 0.000 0.447 393 A N 0.467 123.342 122.820 0.092 0.000 1.859 393 A HA -0.220 4.100 4.320 0.001 0.000 0.217 393 A C 2.485 180.088 177.584 0.032 0.000 1.198 393 A CA 2.749 54.811 52.037 0.041 0.000 0.629 393 A CB -1.130 17.873 19.000 0.005 0.000 0.830 393 A HN 0.665 nan 8.150 nan 0.000 0.446 394 A N -0.699 122.130 122.820 0.014 0.000 1.940 394 A HA -0.112 4.208 4.320 0.001 0.000 0.219 394 A C 2.244 179.878 177.584 0.084 0.000 1.176 394 A CA 1.639 53.683 52.037 0.011 0.000 0.631 394 A CB -0.617 18.360 19.000 -0.038 0.000 0.814 394 A HN 0.596 nan 8.150 nan 0.000 0.446 395 L N -0.606 120.704 121.223 0.145 0.000 1.976 395 L HA -0.201 4.140 4.340 0.001 0.000 0.209 395 L C 2.193 179.155 176.870 0.153 0.000 1.071 395 L CA 2.090 57.045 54.840 0.191 0.000 0.746 395 L CB -0.542 41.664 42.059 0.244 0.000 0.890 395 L HN 0.408 nan 8.230 nan 0.000 0.432 396 D N -0.134 120.331 120.400 0.108 0.000 2.108 396 D HA -0.211 4.429 4.640 0.001 0.000 0.190 396 D C 2.104 178.408 176.300 0.006 0.000 0.995 396 D CA 1.207 55.235 54.000 0.047 0.000 0.834 396 D CB -0.177 40.640 40.800 0.028 0.000 0.967 396 D HN 0.181 nan 8.370 nan 0.000 0.446 397 K N 1.121 121.522 120.400 0.001 0.000 2.015 397 K HA -0.175 4.146 4.320 0.001 0.000 0.220 397 K C 2.158 178.732 176.600 -0.044 0.000 1.055 397 K CA 1.459 57.728 56.287 -0.031 0.000 0.951 397 K CB -1.113 31.369 32.500 -0.030 0.000 0.725 397 K HN 0.160 nan 8.250 nan 0.000 0.449 398 A N 0.795 123.621 122.820 0.009 0.000 1.978 398 A HA -0.202 4.118 4.320 0.001 0.000 0.220 398 A C 2.731 180.401 177.584 0.144 0.000 1.170 398 A CA 1.902 53.970 52.037 0.052 0.000 0.636 398 A CB -0.985 18.103 19.000 0.147 0.000 0.810 398 A HN 0.439 nan 8.150 nan 0.000 0.448 399 C N -1.303 118.046 119.300 0.082 0.000 2.446 399 C HA 0.079 4.539 4.460 0.001 0.000 0.277 399 C C 2.777 177.485 174.990 -0.471 0.000 1.275 399 C CA 0.552 59.470 59.018 -0.166 0.000 1.727 399 C CB -1.487 26.183 27.740 -0.117 0.000 2.010 399 C HN 0.693 nan 8.230 nan 0.000 0.486 400 G N -0.534 108.123 108.800 -0.238 0.000 2.882 400 G HA2 -0.093 3.867 3.960 0.001 0.000 0.206 400 G HA3 -0.093 3.867 3.960 0.001 0.000 0.206 400 G C 1.380 176.173 174.900 -0.179 0.000 1.155 400 G CA -0.014 44.958 45.100 -0.214 0.000 0.800 400 G HN 0.641 nan 8.290 nan 0.000 0.524 401 R N -0.624 119.770 120.500 -0.177 0.000 2.586 401 R HA 0.336 4.677 4.340 0.001 0.000 0.336 401 R C 0.788 177.093 176.300 0.009 0.000 1.060 401 R CA -0.175 55.806 56.100 -0.198 0.000 1.079 401 R CB 0.072 30.100 30.300 -0.454 0.000 1.317 401 R HN 0.387 nan 8.270 nan 0.000 0.568 402 F N -3.894 116.060 119.950 0.007 0.000 2.532 402 F HA 0.301 4.829 4.527 0.001 0.000 0.372 402 F C 0.591 176.439 175.800 0.081 0.000 0.806 402 F CA -0.393 57.669 58.000 0.102 0.000 0.992 402 F CB -0.102 39.001 39.000 0.170 0.000 0.990 402 F HN -0.136 nan 8.300 nan 0.000 0.632 403 I N 2.620 122.894 120.570 -0.493 0.000 2.800 403 I HA -0.181 3.990 4.170 0.001 0.000 0.266 403 I C 0.197 176.336 176.117 0.037 0.000 1.249 403 I CA 1.364 62.506 61.300 -0.263 0.000 1.458 403 I CB -0.530 37.210 38.000 -0.434 0.000 1.093 403 I HN 0.354 nan 8.210 nan 0.000 0.466 404 N N 1.523 120.241 118.700 0.030 0.000 2.497 404 N HA 0.168 4.909 4.740 0.001 0.000 0.284 404 N C -0.431 175.129 175.510 0.082 0.000 1.459 404 N CA 0.068 53.151 53.050 0.054 0.000 0.899 404 N CB 0.566 39.051 38.487 -0.004 0.000 1.316 404 N HN 0.272 nan 8.380 nan 0.000 0.500 405 N N 0.754 119.533 118.700 0.132 0.000 2.381 405 N HA 0.079 4.820 4.740 0.001 0.000 0.248 405 N C -0.867 174.722 175.510 0.132 0.000 1.430 405 N CA -0.234 52.884 53.050 0.114 0.000 0.993 405 N CB 0.220 38.771 38.487 0.107 0.000 1.352 405 N HN 0.141 nan 8.380 nan 0.000 0.520 406 N N 0.145 118.939 118.700 0.156 0.000 2.725 406 N HA 0.423 5.163 4.740 0.001 0.000 0.312 406 N C 1.182 176.766 175.510 0.123 0.000 1.295 406 N CA -0.395 52.748 53.050 0.155 0.000 0.914 406 N CB 0.487 39.103 38.487 0.216 0.000 1.177 406 N HN 0.005 nan 8.380 nan 0.000 0.601 407 A N -0.051 122.837 122.820 0.115 0.000 2.178 407 A HA -0.035 4.286 4.320 0.001 0.000 0.218 407 A C 1.630 179.272 177.584 0.097 0.000 1.157 407 A CA 1.056 53.147 52.037 0.089 0.000 0.689 407 A CB -0.584 18.461 19.000 0.075 0.000 0.787 407 A HN 0.352 nan 8.150 nan 0.000 0.465 408 V N -1.252 118.743 119.914 0.135 0.000 3.235 408 V HA -0.046 4.075 4.120 0.001 0.000 0.259 408 V C 2.161 178.274 176.094 0.031 0.000 1.133 408 V CA 1.977 64.331 62.300 0.091 0.000 1.128 408 V CB -0.162 31.726 31.823 0.108 0.000 0.757 408 V HN 0.606 nan 8.190 nan 0.000 0.469 409 T N -1.860 112.726 114.554 0.053 0.000 3.391 409 T HA 0.132 4.483 4.350 0.001 0.000 0.233 409 T C 1.016 175.734 174.700 0.030 0.000 0.960 409 T CA -0.090 62.029 62.100 0.031 0.000 1.342 409 T CB 0.311 69.208 68.868 0.048 0.000 1.124 409 T HN 0.303 nan 8.240 nan 0.000 0.396 410 K N 0.000 120.425 120.400 0.042 0.000 2.780 410 K HA 0.000 4.320 4.320 0.001 0.000 0.191 410 K CA 0.000 56.307 56.287 0.034 0.000 0.838 410 K CB 0.000 32.524 32.500 0.040 0.000 1.064 410 K HN 0.000 nan 8.250 nan 0.000 0.543