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 3kvn_1_X DATA FIRST_RESID -5 DATA SEQUENCE HHHHLEAPSP YSTLVVFGDS LSDAGQFPDP AGPAGSTSRF TNRVGPTYQN DATA SEQUENCE GSGEIFGPTA PMLLGNQLGI APGDLAASTS PVNAQQGIAD GNNWAVGGYR DATA SEQUENCE TDQIYDSITA ANGSLIERDN TLLRSRDGYL VDRARQGLGA DPNALYYITG DATA SEQUENCE GGNDFLQGRI LNDVQAQQAA GRLVDSVQAL QQAGARYIVV WLLPDLGLTP DATA SEQUENCE ATFGGPLQPF ASQLSGTFNA ELTAQLSQAG ANVIPLNIPL LLKEGMANPA DATA SEQUENCE SFGLAADQNL IGTcFSGNGc TMNPTYGING STPDPSKLLF NDSVHPTITG DATA SEQUENCE QRLIADYTYS LLSAPWELTL LPEMAHGTLR AYQDELRSQW QADWENWQNV DATA SEQUENCE GQWRGFVGGG GQRLDFDSQD SAASGDGNGY NLTLGGSYRI DEAWRAGVAA DATA SEQUENCE GFYRQKLEAG AKDSDYRMNS YMASAFVQYQ ENRWWADAAL TGGYLDYDDL DATA SEQUENCE KRKFALGGGE RSEKGDTNGH LWAFSARLGY DIAQQADSPW HLSPFVSADY DATA SEQUENCE ARVEVDGYSE KGASATALDY DDQKRSSKRL GAGLQGKYAF GSDTQLFAEY DATA SEQUENCE AHEREYEDDT QDLTMSLNSL PGNRFTLEGY TPQDHLNRVS LGFSQKLAPE DATA SEQUENCE LSLRGGYNWR KGEDDTQQSV SLALSLDF 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 -5 H HA 0.000 nan 4.556 nan 0.000 0.296 -5 H C 0.000 175.329 175.328 0.002 0.000 0.993 -5 H CA 0.000 56.044 56.048 -0.007 0.000 1.023 -5 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 -4 H N 1.066 120.061 119.070 -0.125 0.000 2.562 -4 H HA 0.458 5.012 4.556 -0.004 0.000 0.314 -4 H C 0.152 175.390 175.328 -0.149 0.000 1.079 -4 H CA -0.270 55.690 56.048 -0.146 0.000 1.349 -4 H CB 0.483 30.114 29.762 -0.218 0.000 1.432 -4 H HN 0.659 nan 8.280 nan 0.000 0.479 -3 H N 4.750 123.486 119.070 -0.556 0.000 2.929 -3 H HA -0.014 4.540 4.556 -0.004 0.000 0.317 -3 H C 0.682 175.868 175.328 -0.236 0.000 1.031 -3 H CA 0.709 56.584 56.048 -0.289 0.000 1.466 -3 H CB 0.355 29.974 29.762 -0.240 0.000 1.482 -3 H HN 0.859 nan 8.280 nan 0.000 0.561 -2 H N 4.614 123.854 119.070 0.282 0.000 2.524 -2 H HA -0.099 4.455 4.556 -0.004 0.000 0.282 -2 H C 1.403 176.870 175.328 0.231 0.000 1.016 -2 H CA 0.183 56.374 56.048 0.239 0.000 1.270 -2 H CB 0.774 30.619 29.762 0.140 0.000 1.394 -2 H HN 0.386 nan 8.280 nan 0.000 0.568 -1 L N 1.122 122.580 121.223 0.392 0.000 2.395 -1 L HA 0.012 4.349 4.340 -0.004 0.000 0.218 -1 L C 0.732 177.609 176.870 0.013 0.000 1.130 -1 L CA 0.997 55.907 54.840 0.117 0.000 0.826 -1 L CB -0.293 41.752 42.059 -0.023 0.000 0.941 -1 L HN 0.185 nan 8.230 nan 0.000 0.451 0 E N -1.056 119.131 120.200 -0.021 0.000 2.248 0 E HA 0.533 4.881 4.350 -0.004 0.000 0.272 0 E C 0.037 176.732 176.600 0.158 0.000 1.008 0 E CA -0.484 55.904 56.400 -0.020 0.000 0.856 0 E CB 1.292 30.887 29.700 -0.174 0.000 1.120 0 E HN 0.164 nan 8.360 nan 0.000 0.397 1 A N 3.002 125.892 122.820 0.116 0.000 2.327 1 A HA 0.328 4.646 4.320 -0.004 0.000 0.255 1 A C -2.185 175.398 177.584 -0.002 0.000 1.099 1 A CA -1.032 51.064 52.037 0.098 0.000 0.801 1 A CB -0.366 18.728 19.000 0.155 0.000 1.062 1 A HN 0.361 nan 8.150 nan 0.000 0.496 2 P HA 0.207 nan 4.420 nan 0.000 0.271 2 P C -0.450 176.502 177.300 -0.581 0.000 1.233 2 P CA 0.196 62.784 63.100 -0.854 0.000 0.789 2 P CB 0.656 31.276 31.700 -1.799 0.000 0.951 3 S N -1.020 114.382 115.700 -0.497 0.000 2.689 3 S HA 0.300 4.768 4.470 -0.004 0.000 0.151 3 S C -2.527 171.909 174.600 -0.274 0.000 1.155 3 S CA -0.903 57.175 58.200 -0.202 0.000 1.144 3 S CB 0.577 63.774 63.200 -0.005 0.000 1.526 3 S HN 0.148 nan 8.310 nan 0.000 0.419 4 P HA 0.053 nan 4.420 nan 0.000 0.221 4 P C -0.515 176.380 177.300 -0.676 0.000 1.150 4 P CA 1.021 63.700 63.100 -0.701 0.000 0.800 4 P CB -0.129 30.880 31.700 -1.152 0.000 0.787 5 Y N -0.953 119.328 120.300 -0.032 0.000 2.360 5 Y HA 0.237 4.784 4.550 -0.004 0.000 0.337 5 Y C 1.953 177.858 175.900 0.007 0.000 1.039 5 Y CA -0.695 57.398 58.100 -0.012 0.000 1.109 5 Y CB 0.782 39.234 38.460 -0.013 0.000 1.201 5 Y HN -0.188 nan 8.280 nan 0.000 0.458 6 S N -0.025 115.776 115.700 0.169 0.000 2.382 6 S HA -0.022 4.445 4.470 -0.004 0.000 0.228 6 S C 0.746 175.396 174.600 0.084 0.000 1.027 6 S CA 1.363 59.626 58.200 0.104 0.000 0.991 6 S CB -0.063 63.202 63.200 0.108 0.000 0.823 6 S HN 0.756 nan 8.310 nan 0.000 0.469 7 T N -0.585 114.016 114.554 0.079 0.000 2.700 7 T HA 0.507 4.855 4.350 -0.004 0.000 0.307 7 T C -2.572 172.097 174.700 -0.051 0.000 1.580 7 T CA -0.723 61.387 62.100 0.017 0.000 0.992 7 T CB 1.096 69.965 68.868 0.001 0.000 1.577 7 T HN 0.296 nan 8.240 nan 0.000 0.496 8 L N 2.937 124.100 121.223 -0.099 0.000 2.319 8 L HA 0.820 5.157 4.340 -0.004 0.000 0.281 8 L C -1.275 175.451 176.870 -0.240 0.000 1.005 8 L CA -0.380 54.357 54.840 -0.172 0.000 0.828 8 L CB 1.153 43.135 42.059 -0.129 0.000 1.227 8 L HN 0.446 nan 8.230 nan 0.000 0.415 9 V N 5.851 125.529 119.914 -0.394 0.000 2.398 9 V HA 0.623 4.740 4.120 -0.004 0.000 0.286 9 V C -0.295 175.587 176.094 -0.353 0.000 1.026 9 V CA -0.639 61.384 62.300 -0.461 0.000 0.868 9 V CB 1.715 33.090 31.823 -0.747 0.000 0.982 9 V HN 0.530 nan 8.190 nan 0.000 0.443 10 V N 5.243 124.906 119.914 -0.419 0.000 2.604 10 V HA 0.647 4.765 4.120 -0.004 0.000 0.305 10 V C -0.817 174.973 176.094 -0.505 0.000 1.043 10 V CA -0.526 61.630 62.300 -0.239 0.000 0.888 10 V CB 1.774 33.505 31.823 -0.154 0.000 0.995 10 V HN 0.693 nan 8.190 nan 0.000 0.429 11 F N 1.541 121.592 119.950 0.169 0.000 2.603 11 F HA 0.975 5.500 4.527 -0.004 0.000 0.317 11 F C 0.731 176.614 175.800 0.139 0.000 1.066 11 F CA 0.307 58.402 58.000 0.158 0.000 0.941 11 F CB 2.401 41.464 39.000 0.106 0.000 1.291 11 F HN 0.865 nan 8.300 nan 0.000 0.472 12 G N 1.279 110.281 108.800 0.335 0.000 2.288 12 G HA2 0.289 4.246 3.960 -0.004 0.000 0.227 12 G HA3 0.289 4.246 3.960 -0.004 0.000 0.227 12 G C -1.930 173.049 174.900 0.132 0.000 1.339 12 G CA -0.181 45.038 45.100 0.197 0.000 1.057 12 G HN 0.759 nan 8.290 nan 0.000 0.470 13 D N -1.521 118.894 120.400 0.024 0.000 2.726 13 D HA 0.556 5.194 4.640 -0.004 0.000 0.241 13 D C 1.894 178.133 176.300 -0.102 0.000 1.150 13 D CA 1.008 54.994 54.000 -0.024 0.000 1.089 13 D CB 0.045 40.843 40.800 -0.004 0.000 1.260 13 D HN 1.017 nan 8.370 nan 0.000 0.637 14 S N -0.856 114.733 115.700 -0.184 0.000 2.440 14 S HA -0.134 4.333 4.470 -0.004 0.000 0.238 14 S C 2.029 176.578 174.600 -0.085 0.000 1.010 14 S CA 0.611 58.618 58.200 -0.321 0.000 0.972 14 S CB -0.927 61.773 63.200 -0.834 0.000 0.774 14 S HN 0.467 nan 8.310 nan 0.000 0.501 15 L N 0.924 122.111 121.223 -0.060 0.000 2.191 15 L HA -0.046 4.292 4.340 -0.004 0.000 0.212 15 L C 2.196 179.037 176.870 -0.049 0.000 1.103 15 L CA 1.305 56.101 54.840 -0.072 0.000 0.769 15 L CB -0.390 41.436 42.059 -0.388 0.000 0.908 15 L HN 0.383 nan 8.230 nan 0.000 0.438 16 S N -2.912 112.754 115.700 -0.055 0.000 2.549 16 S HA 0.038 4.505 4.470 -0.004 0.000 0.225 16 S C 0.373 174.955 174.600 -0.030 0.000 1.039 16 S CA -0.532 57.653 58.200 -0.025 0.000 0.942 16 S CB 0.226 63.437 63.200 0.018 0.000 0.881 16 S HN 0.299 nan 8.310 nan 0.000 0.503 17 D N 2.328 122.722 120.400 -0.010 0.000 2.583 17 D HA 0.065 4.703 4.640 -0.004 0.000 0.232 17 D C 0.718 177.012 176.300 -0.010 0.000 1.128 17 D CA 0.347 54.348 54.000 0.001 0.000 0.859 17 D CB 0.849 41.711 40.800 0.104 0.000 1.169 17 D HN 0.264 nan 8.370 nan 0.000 0.481 18 A N 2.747 125.535 122.820 -0.053 0.000 2.303 18 A HA 0.464 4.782 4.320 -0.004 0.000 0.217 18 A C 1.103 178.654 177.584 -0.055 0.000 1.205 18 A CA 0.655 52.655 52.037 -0.061 0.000 0.875 18 A CB 0.358 19.304 19.000 -0.090 0.000 0.910 18 A HN 0.818 nan 8.150 nan 0.000 0.501 19 G N -0.397 108.370 108.800 -0.056 0.000 2.491 19 G HA2 0.008 3.966 3.960 -0.004 0.000 0.232 19 G HA3 0.008 3.966 3.960 -0.004 0.000 0.232 19 G C 0.265 175.115 174.900 -0.083 0.000 1.609 19 G CA 0.035 45.107 45.100 -0.046 0.000 0.880 19 G HN 0.049 nan 8.290 nan 0.000 0.515 20 Q N -0.266 119.463 119.800 -0.118 0.000 2.016 20 Q HA 0.099 4.437 4.340 -0.004 0.000 0.200 20 Q C 0.886 176.710 176.000 -0.293 0.000 0.978 20 Q CA 1.007 56.643 55.803 -0.278 0.000 0.833 20 Q CB 0.040 28.508 28.738 -0.450 0.000 0.895 20 Q HN 0.577 nan 8.270 nan 0.000 0.427 21 F N 1.442 121.375 119.950 -0.028 0.000 2.382 21 F HA 0.222 4.746 4.527 -0.004 0.000 0.331 21 F C -1.695 174.093 175.800 -0.019 0.000 1.121 21 F CA -2.497 55.495 58.000 -0.013 0.000 1.183 21 F CB -0.190 38.815 39.000 0.010 0.000 1.207 21 F HN -0.062 nan 8.300 nan 0.000 0.555 22 P HA -0.053 nan 4.420 nan 0.000 0.268 22 P C -0.872 176.502 177.300 0.123 0.000 1.208 22 P CA 0.034 63.204 63.100 0.118 0.000 0.777 22 P CB 0.470 32.232 31.700 0.103 0.000 0.875 23 D N 2.472 122.930 120.400 0.098 0.000 2.485 23 D HA 0.199 4.836 4.640 -0.004 0.000 0.221 23 D C -1.718 174.619 176.300 0.063 0.000 1.112 23 D CA -2.414 51.659 54.000 0.121 0.000 0.911 23 D CB 0.225 41.109 40.800 0.139 0.000 1.019 23 D HN 0.045 nan 8.370 nan 0.000 0.516 24 P HA -0.085 nan 4.420 nan 0.000 0.216 24 P C 0.671 177.978 177.300 0.012 0.000 1.150 24 P CA 0.978 64.099 63.100 0.035 0.000 0.843 24 P CB 0.260 31.982 31.700 0.036 0.000 0.787 25 A N -1.072 121.751 122.820 0.005 0.000 2.370 25 A HA 0.473 4.791 4.320 -0.004 0.000 0.238 25 A C 1.104 178.637 177.584 -0.086 0.000 1.289 25 A CA 0.277 52.294 52.037 -0.033 0.000 0.885 25 A CB -0.752 18.231 19.000 -0.029 0.000 0.961 25 A HN 0.268 nan 8.150 nan 0.000 0.499 26 G N -0.345 108.406 108.800 -0.082 0.000 2.597 26 G HA2 0.577 4.534 3.960 -0.004 0.000 0.317 26 G HA3 0.577 4.534 3.960 -0.004 0.000 0.317 26 G C -2.969 171.891 174.900 -0.067 0.000 1.230 26 G CA -1.829 43.202 45.100 -0.115 0.000 0.996 26 G HN 0.063 nan 8.290 nan 0.000 0.490 27 P HA 0.265 nan 4.420 nan 0.000 0.271 27 P C 0.125 177.406 177.300 -0.031 0.000 1.233 27 P CA -0.073 62.999 63.100 -0.047 0.000 0.795 27 P CB 0.317 31.987 31.700 -0.050 0.000 0.936 28 A N 0.965 123.771 122.820 -0.024 0.000 2.511 28 A HA 0.434 4.752 4.320 -0.004 0.000 0.242 28 A C 1.504 179.079 177.584 -0.015 0.000 1.069 28 A CA 0.633 52.661 52.037 -0.016 0.000 0.763 28 A CB -1.370 17.621 19.000 -0.014 0.000 1.001 28 A HN 0.890 nan 8.150 nan 0.000 0.498 29 G N 1.667 110.461 108.800 -0.010 0.000 2.179 29 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.260 29 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.260 29 G C 0.676 175.571 174.900 -0.008 0.000 0.977 29 G CA 0.512 45.605 45.100 -0.011 0.000 0.641 29 G HN 1.144 nan 8.290 nan 0.000 0.533 30 S N -0.137 115.560 115.700 -0.006 0.000 2.576 30 S HA 0.554 5.021 4.470 -0.004 0.000 0.272 30 S C 0.432 175.049 174.600 0.029 0.000 1.352 30 S CA 1.097 59.299 58.200 0.004 0.000 1.021 30 S CB 1.404 64.598 63.200 -0.011 0.000 0.887 30 S HN 0.608 nan 8.310 nan 0.000 0.542 31 T N 1.245 115.831 114.554 0.055 0.000 2.900 31 T HA 0.441 4.789 4.350 -0.004 0.000 0.303 31 T C -0.987 173.787 174.700 0.123 0.000 1.142 31 T CA -0.522 61.615 62.100 0.062 0.000 1.007 31 T CB 1.254 70.130 68.868 0.013 0.000 1.156 31 T HN 0.441 nan 8.240 nan 0.000 0.490 32 S N 2.286 118.026 115.700 0.066 0.000 2.480 32 S HA 0.608 5.076 4.470 -0.004 0.000 0.286 32 S C -0.248 174.148 174.600 -0.341 0.000 1.180 32 S CA -0.662 57.476 58.200 -0.104 0.000 1.075 32 S CB 0.645 63.702 63.200 -0.239 0.000 0.996 32 S HN 0.476 nan 8.310 nan 0.000 0.487 33 R N 1.080 121.205 120.500 -0.625 0.000 2.750 33 R HA 0.427 4.765 4.340 -0.004 0.000 0.281 33 R C -1.333 174.371 176.300 -0.992 0.000 0.972 33 R CA -0.635 55.146 56.100 -0.533 0.000 0.912 33 R CB 1.187 31.387 30.300 -0.167 0.000 1.187 33 R HN 0.501 nan 8.270 nan 0.000 0.464 34 F N 1.210 120.865 119.950 -0.492 0.000 2.541 34 F HA 0.326 4.851 4.527 -0.004 0.000 0.351 34 F C 0.671 176.277 175.800 -0.324 0.000 1.209 34 F CA 0.064 57.706 58.000 -0.598 0.000 1.277 34 F CB 0.909 39.322 39.000 -0.979 0.000 1.632 34 F HN 0.347 nan 8.300 nan 0.000 0.619 35 T N 0.614 115.085 114.554 -0.138 0.000 2.677 35 T HA 0.196 4.544 4.350 -0.004 0.000 0.305 35 T C -1.116 173.694 174.700 0.185 0.000 1.569 35 T CA -1.096 61.045 62.100 0.067 0.000 0.984 35 T CB 0.769 69.675 68.868 0.063 0.000 1.629 35 T HN 0.417 nan 8.240 nan 0.000 0.494 36 N N 1.617 120.433 118.700 0.193 0.000 2.415 36 N HA 0.215 4.952 4.740 -0.004 0.000 0.248 36 N C -0.148 175.567 175.510 0.340 0.000 1.271 36 N CA -0.338 52.872 53.050 0.266 0.000 0.913 36 N CB 0.582 39.052 38.487 -0.029 0.000 1.129 36 N HN 0.560 nan 8.380 nan 0.000 0.444 37 R N -0.306 120.412 120.500 0.363 0.000 2.649 37 R HA 0.100 4.437 4.340 -0.004 0.000 0.270 37 R C 1.646 178.095 176.300 0.248 0.000 1.105 37 R CA -0.501 55.718 56.100 0.198 0.000 1.193 37 R CB 0.595 30.898 30.300 0.005 0.000 1.120 37 R HN 0.620 nan 8.270 nan 0.000 0.561 38 V N -1.207 118.760 119.914 0.088 0.000 2.809 38 V HA 0.165 4.283 4.120 -0.004 0.000 0.256 38 V C 0.943 177.017 176.094 -0.034 0.000 1.080 38 V CA 1.155 63.492 62.300 0.062 0.000 1.102 38 V CB -1.251 30.572 31.823 0.001 0.000 0.705 38 V HN 1.065 nan 8.190 nan 0.000 0.475 39 G N 0.382 108.997 108.800 -0.308 0.000 2.566 39 G HA2 -0.088 3.870 3.960 -0.004 0.000 0.599 39 G HA3 -0.088 3.870 3.960 -0.004 0.000 0.599 39 G C -1.627 173.028 174.900 -0.409 0.000 1.292 39 G CA -0.155 44.433 45.100 -0.853 0.000 0.922 39 G HN 0.296 nan 8.290 nan 0.000 0.514 40 P HA -0.022 nan 4.420 nan 0.000 0.225 40 P C 1.792 178.780 177.300 -0.520 0.000 1.156 40 P CA 2.607 65.453 63.100 -0.424 0.000 0.787 40 P CB -0.090 31.503 31.700 -0.178 0.000 0.802 41 T N -5.148 109.186 114.554 -0.368 0.000 3.035 41 T HA -0.087 4.261 4.350 -0.004 0.000 0.259 41 T C 0.943 175.646 174.700 0.005 0.000 1.078 41 T CA 0.413 62.429 62.100 -0.141 0.000 1.132 41 T CB -1.013 67.821 68.868 -0.056 0.000 0.900 41 T HN -0.033 nan 8.240 nan 0.000 0.480 42 Y N 0.289 120.642 120.300 0.088 0.000 4.916 42 Y HA -0.204 4.344 4.550 -0.004 0.000 0.247 42 Y C 0.601 176.547 175.900 0.076 0.000 0.962 42 Y CA 0.308 58.495 58.100 0.145 0.000 1.933 42 Y CB -2.295 36.405 38.460 0.399 0.000 1.451 42 Y HN 0.339 nan 8.280 nan 0.000 0.539 43 Q N 2.045 121.912 119.800 0.111 0.000 2.352 43 Q HA 0.152 4.490 4.340 -0.004 0.000 0.260 43 Q C 0.364 176.357 176.000 -0.013 0.000 0.976 43 Q CA -0.217 55.615 55.803 0.048 0.000 0.881 43 Q CB 0.393 29.142 28.738 0.018 0.000 1.235 43 Q HN 0.278 nan 8.270 nan 0.000 0.419 44 N N 0.447 119.138 118.700 -0.016 0.000 2.454 44 N HA 0.062 4.799 4.740 -0.004 0.000 0.254 44 N C 1.030 176.509 175.510 -0.052 0.000 1.228 44 N CA 1.152 54.169 53.050 -0.055 0.000 0.900 44 N CB 0.476 38.955 38.487 -0.013 0.000 1.089 44 N HN 0.841 nan 8.380 nan 0.000 0.449 45 G N 0.252 109.008 108.800 -0.073 0.000 2.162 45 G HA2 -0.348 3.609 3.960 -0.004 0.000 0.260 45 G HA3 -0.348 3.609 3.960 -0.004 0.000 0.260 45 G C 0.912 175.778 174.900 -0.056 0.000 0.976 45 G CA 0.852 45.918 45.100 -0.056 0.000 0.655 45 G HN 0.699 nan 8.290 nan 0.000 0.533 46 S N -0.560 115.098 115.700 -0.070 0.000 2.561 46 S HA 0.382 4.850 4.470 -0.004 0.000 0.225 46 S C 2.302 176.857 174.600 -0.075 0.000 0.977 46 S CA 1.384 59.544 58.200 -0.067 0.000 0.926 46 S CB 0.086 63.242 63.200 -0.073 0.000 0.769 46 S HN 2.367 nan 8.310 nan 0.000 0.533 47 G N 0.577 109.326 108.800 -0.085 0.000 2.176 47 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.253 47 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.253 47 G C -0.299 174.540 174.900 -0.102 0.000 0.979 47 G CA 0.161 45.211 45.100 -0.083 0.000 0.641 47 G HN 0.626 nan 8.290 nan 0.000 0.530 48 E N 0.641 120.764 120.200 -0.129 0.000 2.227 48 E HA 0.553 4.901 4.350 -0.004 0.000 0.282 48 E C 1.202 177.687 176.600 -0.192 0.000 1.015 48 E CA -0.445 55.870 56.400 -0.141 0.000 0.823 48 E CB 1.358 30.970 29.700 -0.148 0.000 1.081 48 E HN 0.655 nan 8.360 nan 0.000 0.396 49 I N -1.257 119.225 120.570 -0.146 0.000 2.945 49 I HA 0.286 4.453 4.170 -0.004 0.000 0.292 49 I C -0.215 175.805 176.117 -0.163 0.000 1.093 49 I CA -0.735 60.471 61.300 -0.157 0.000 1.336 49 I CB 0.426 38.394 38.000 -0.055 0.000 1.435 49 I HN 0.266 nan 8.210 nan 0.000 0.593 50 F N 1.991 121.926 119.950 -0.025 0.000 2.506 50 F HA 0.412 4.937 4.527 -0.004 0.000 0.351 50 F C 1.427 177.217 175.800 -0.016 0.000 1.136 50 F CA 0.485 58.471 58.000 -0.023 0.000 1.298 50 F CB 0.454 39.410 39.000 -0.072 0.000 1.145 50 F HN 0.659 nan 8.300 nan 0.000 0.593 51 G N 1.878 110.809 108.800 0.218 0.000 2.553 51 G HA2 0.454 4.411 3.960 -0.004 0.000 0.278 51 G HA3 0.454 4.411 3.960 -0.004 0.000 0.278 51 G C -2.709 172.239 174.900 0.080 0.000 1.349 51 G CA -1.102 44.065 45.100 0.112 0.000 1.037 51 G HN 0.394 nan 8.290 nan 0.000 0.508 52 P HA 0.314 nan 4.420 nan 0.000 0.279 52 P C -0.308 177.000 177.300 0.015 0.000 1.252 52 P CA -0.307 62.803 63.100 0.016 0.000 0.811 52 P CB 1.533 33.233 31.700 -0.000 0.000 1.035 53 T N -0.386 114.168 114.554 0.000 0.000 2.952 53 T HA 0.501 4.848 4.350 -0.004 0.000 0.286 53 T C 1.488 176.187 174.700 -0.001 0.000 1.024 53 T CA -0.023 62.084 62.100 0.012 0.000 1.029 53 T CB 0.556 69.428 68.868 0.007 0.000 1.094 53 T HN 0.316 nan 8.240 nan 0.000 0.515 54 A N 3.682 126.527 122.820 0.042 0.000 1.903 54 A HA -0.027 4.290 4.320 -0.004 0.000 0.219 54 A C -0.556 176.987 177.584 -0.069 0.000 1.191 54 A CA 1.970 54.037 52.037 0.050 0.000 0.638 54 A CB -1.910 17.216 19.000 0.211 0.000 0.823 54 A HN 0.733 nan 8.150 nan 0.000 0.451 55 P HA -0.125 nan 4.420 nan 0.000 0.218 55 P C 1.579 178.750 177.300 -0.214 0.000 1.149 55 P CA 1.394 64.249 63.100 -0.409 0.000 0.817 55 P CB -0.196 31.195 31.700 -0.515 0.000 0.785 56 M N -1.702 117.816 119.600 -0.136 0.000 2.132 56 M HA -0.104 4.374 4.480 -0.004 0.000 0.263 56 M C 2.066 178.328 176.300 -0.064 0.000 1.065 56 M CA 1.666 56.912 55.300 -0.090 0.000 1.122 56 M CB -0.899 31.663 32.600 -0.064 0.000 1.365 56 M HN -0.105 nan 8.290 nan 0.000 0.411 57 L N -0.296 120.895 121.223 -0.053 0.000 2.056 57 L HA -0.197 4.141 4.340 -0.004 0.000 0.207 57 L C 2.507 179.354 176.870 -0.037 0.000 1.078 57 L CA 0.667 55.483 54.840 -0.040 0.000 0.749 57 L CB -0.646 41.396 42.059 -0.029 0.000 0.901 57 L HN 0.293 nan 8.230 nan 0.000 0.433 58 L N 0.197 121.401 121.223 -0.032 0.000 2.017 58 L HA -0.068 4.270 4.340 -0.004 0.000 0.208 58 L C 2.363 179.251 176.870 0.031 0.000 1.073 58 L CA 2.190 57.039 54.840 0.014 0.000 0.745 58 L CB -1.128 40.937 42.059 0.009 0.000 0.894 58 L HN 0.129 nan 8.230 nan 0.000 0.432 59 G N -0.955 107.831 108.800 -0.023 0.000 2.440 59 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.218 59 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.218 59 G C 1.477 176.388 174.900 0.018 0.000 1.154 59 G CA 0.981 46.078 45.100 -0.006 0.000 0.767 59 G HN 0.503 nan 8.290 nan 0.000 0.552 60 N N 0.203 118.899 118.700 -0.007 0.000 2.069 60 N HA -0.116 4.621 4.740 -0.004 0.000 0.191 60 N C 2.394 177.907 175.510 0.005 0.000 1.031 60 N CA 1.506 54.551 53.050 -0.008 0.000 0.852 60 N CB -0.182 38.289 38.487 -0.027 0.000 1.018 60 N HN 0.434 nan 8.380 nan 0.000 0.423 61 Q N -0.413 119.383 119.800 -0.007 0.000 2.135 61 Q HA -0.088 4.250 4.340 -0.004 0.000 0.204 61 Q C 1.395 177.485 176.000 0.150 0.000 0.981 61 Q CA 0.876 56.657 55.803 -0.038 0.000 0.856 61 Q CB -0.070 28.523 28.738 -0.241 0.000 0.902 61 Q HN 0.458 nan 8.270 nan 0.000 0.425 62 L N -0.501 120.854 121.223 0.221 0.000 2.612 62 L HA 0.110 4.448 4.340 -0.004 0.000 0.230 62 L C 0.989 177.954 176.870 0.159 0.000 1.140 62 L CA 0.283 55.297 54.840 0.290 0.000 0.896 62 L CB -0.151 42.093 42.059 0.310 0.000 1.065 62 L HN 0.414 nan 8.230 nan 0.000 0.447 63 G N 0.517 109.374 108.800 0.095 0.000 2.153 63 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.252 63 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.252 63 G C 0.352 175.274 174.900 0.038 0.000 0.994 63 G CA -0.278 44.851 45.100 0.048 0.000 0.698 63 G HN 0.180 nan 8.290 nan 0.000 0.521 64 I N 1.310 121.907 120.570 0.046 0.000 2.710 64 I HA 0.372 4.540 4.170 -0.004 0.000 0.286 64 I C 1.452 177.572 176.117 0.006 0.000 1.181 64 I CA -0.188 61.129 61.300 0.028 0.000 1.430 64 I CB -0.011 38.000 38.000 0.018 0.000 1.367 64 I HN 0.503 nan 8.210 nan 0.000 0.577 65 A N 8.881 131.703 122.820 0.003 0.000 2.566 65 A HA 0.173 4.491 4.320 -0.004 0.000 0.245 65 A C -1.221 176.354 177.584 -0.015 0.000 1.056 65 A CA -0.645 51.389 52.037 -0.005 0.000 0.757 65 A CB -0.541 18.458 19.000 -0.001 0.000 0.979 65 A HN 0.609 nan 8.150 nan 0.000 0.508 66 P HA -0.155 nan 4.420 nan 0.000 0.216 66 P C 1.698 178.979 177.300 -0.033 0.000 1.150 66 P CA 1.890 64.974 63.100 -0.027 0.000 0.843 66 P CB 0.079 31.764 31.700 -0.025 0.000 0.787 67 G N -0.321 108.463 108.800 -0.028 0.000 2.448 67 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.219 67 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.219 67 G C 1.060 175.936 174.900 -0.040 0.000 1.127 67 G CA 0.749 45.829 45.100 -0.033 0.000 0.766 67 G HN 0.196 nan 8.290 nan 0.000 0.552 68 D N 0.234 120.613 120.400 -0.034 0.000 2.269 68 D HA 0.008 4.645 4.640 -0.004 0.000 0.208 68 D C 2.367 178.628 176.300 -0.066 0.000 0.963 68 D CA 0.276 54.253 54.000 -0.039 0.000 0.864 68 D CB -0.027 40.758 40.800 -0.025 0.000 0.936 68 D HN 0.323 nan 8.370 nan 0.000 0.505 69 L N 0.079 121.261 121.223 -0.068 0.000 2.554 69 L HA 0.200 4.538 4.340 -0.004 0.000 0.226 69 L C 1.140 177.953 176.870 -0.095 0.000 1.137 69 L CA -0.297 54.492 54.840 -0.085 0.000 0.863 69 L CB -0.239 41.778 42.059 -0.071 0.000 0.985 69 L HN -0.101 nan 8.230 nan 0.000 0.451 70 A N 0.519 123.283 122.820 -0.093 0.000 2.313 70 A HA 0.630 4.948 4.320 -0.004 0.000 0.261 70 A C 0.638 178.132 177.584 -0.150 0.000 1.090 70 A CA -0.058 51.916 52.037 -0.105 0.000 0.807 70 A CB 0.335 19.279 19.000 -0.093 0.000 1.055 70 A HN 0.200 nan 8.150 nan 0.000 0.492 71 A N 0.196 122.919 122.820 -0.162 0.000 2.492 71 A HA 0.393 4.710 4.320 -0.004 0.000 0.236 71 A C 1.478 178.870 177.584 -0.320 0.000 1.078 71 A CA 0.472 52.374 52.037 -0.225 0.000 0.773 71 A CB -0.200 18.680 19.000 -0.199 0.000 1.023 71 A HN 1.833 nan 8.150 nan 0.000 0.504 72 S N -0.678 114.726 115.700 -0.494 0.000 2.478 72 S HA 0.056 4.524 4.470 -0.004 0.000 0.222 72 S C 0.705 174.963 174.600 -0.571 0.000 1.008 72 S CA 1.073 58.817 58.200 -0.760 0.000 0.928 72 S CB 0.075 62.248 63.200 -1.712 0.000 0.781 72 S HN 0.792 nan 8.310 nan 0.000 0.518 73 T N 0.970 115.277 114.554 -0.411 0.000 3.541 73 T HA 0.336 4.683 4.350 -0.004 0.000 0.309 73 T C -0.114 174.446 174.700 -0.233 0.000 0.973 73 T CA -0.374 61.548 62.100 -0.296 0.000 0.993 73 T CB 0.537 69.253 68.868 -0.254 0.000 1.206 73 T HN 0.282 nan 8.240 nan 0.000 0.489 74 S N 2.846 118.416 115.700 -0.217 0.000 2.531 74 S HA 0.217 4.685 4.470 -0.004 0.000 0.279 74 S C -1.441 173.085 174.600 -0.123 0.000 1.305 74 S CA -1.315 56.780 58.200 -0.175 0.000 1.058 74 S CB 0.939 64.055 63.200 -0.141 0.000 0.899 74 S HN 0.034 nan 8.310 nan 0.000 0.493 75 P HA -0.035 nan 4.420 nan 0.000 0.219 75 P C 1.435 178.711 177.300 -0.040 0.000 1.150 75 P CA 0.508 63.574 63.100 -0.056 0.000 0.814 75 P CB -0.018 31.662 31.700 -0.033 0.000 0.787 76 V N 0.471 120.361 119.914 -0.039 0.000 2.295 76 V HA -0.245 3.872 4.120 -0.004 0.000 0.246 76 V C 2.175 178.249 176.094 -0.035 0.000 1.049 76 V CA 2.044 64.329 62.300 -0.026 0.000 1.024 76 V CB -1.369 30.444 31.823 -0.016 0.000 0.648 76 V HN 0.105 nan 8.190 nan 0.000 0.447 77 N N 0.703 119.372 118.700 -0.052 0.000 2.104 77 N HA -0.139 4.599 4.740 -0.004 0.000 0.190 77 N C 1.911 177.393 175.510 -0.047 0.000 1.024 77 N CA 1.776 54.794 53.050 -0.054 0.000 0.853 77 N CB -0.642 37.800 38.487 -0.076 0.000 1.008 77 N HN 0.500 nan 8.380 nan 0.000 0.424 78 A N 1.327 124.117 122.820 -0.050 0.000 1.883 78 A HA -0.205 4.113 4.320 -0.004 0.000 0.217 78 A C 2.150 179.718 177.584 -0.027 0.000 1.186 78 A CA 1.561 53.574 52.037 -0.039 0.000 0.624 78 A CB -0.741 18.235 19.000 -0.040 0.000 0.822 78 A HN 0.388 nan 8.150 nan 0.000 0.444 79 Q N -0.964 118.822 119.800 -0.023 0.000 2.170 79 Q HA -0.164 4.173 4.340 -0.004 0.000 0.203 79 Q C 1.990 177.981 176.000 -0.015 0.000 0.976 79 Q CA 1.322 57.116 55.803 -0.015 0.000 0.858 79 Q CB -0.122 28.609 28.738 -0.011 0.000 0.907 79 Q HN 0.598 nan 8.270 nan 0.000 0.433 80 Q N -0.876 118.912 119.800 -0.020 0.000 2.432 80 Q HA 0.045 4.382 4.340 -0.004 0.000 0.205 80 Q C 1.109 177.097 176.000 -0.019 0.000 0.945 80 Q CA 0.943 56.735 55.803 -0.019 0.000 0.924 80 Q CB 0.650 29.375 28.738 -0.021 0.000 1.016 80 Q HN 0.559 nan 8.270 nan 0.000 0.503 81 G N 1.550 110.338 108.800 -0.021 0.000 2.160 81 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.251 81 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.251 81 G C 0.120 175.006 174.900 -0.024 0.000 1.008 81 G CA 0.157 45.244 45.100 -0.020 0.000 0.724 81 G HN 0.325 nan 8.290 nan 0.000 0.514 82 I N 1.181 121.733 120.570 -0.030 0.000 2.395 82 I HA 0.528 4.696 4.170 -0.004 0.000 0.289 82 I C 1.131 177.222 176.117 -0.042 0.000 1.023 82 I CA -0.354 60.925 61.300 -0.034 0.000 1.350 82 I CB 1.432 39.410 38.000 -0.038 0.000 1.409 82 I HN 0.291 nan 8.210 nan 0.000 0.507 83 A N 5.443 128.240 122.820 -0.039 0.000 2.445 83 A HA 0.129 4.447 4.320 -0.004 0.000 0.242 83 A C -0.127 177.418 177.584 -0.065 0.000 1.075 83 A CA -0.476 51.535 52.037 -0.042 0.000 0.777 83 A CB 0.017 19.000 19.000 -0.029 0.000 1.013 83 A HN 0.688 nan 8.150 nan 0.000 0.493 84 D N 0.944 121.295 120.400 -0.081 0.000 2.443 84 D HA 0.382 5.020 4.640 -0.004 0.000 0.239 84 D C 0.841 177.071 176.300 -0.118 0.000 1.136 84 D CA 1.090 55.012 54.000 -0.130 0.000 0.879 84 D CB 1.100 41.800 40.800 -0.166 0.000 1.195 84 D HN 0.658 nan 8.370 nan 0.000 0.443 85 G N 0.602 109.307 108.800 -0.157 0.000 2.702 85 G HA2 0.108 4.065 3.960 -0.004 0.000 0.254 85 G HA3 0.108 4.065 3.960 -0.004 0.000 0.254 85 G C 0.556 175.367 174.900 -0.148 0.000 1.380 85 G CA -0.425 44.601 45.100 -0.124 0.000 1.042 85 G HN 0.327 nan 8.290 nan 0.000 0.557 86 N N 0.412 119.055 118.700 -0.094 0.000 2.214 86 N HA 0.068 4.805 4.740 -0.004 0.000 0.214 86 N C -0.148 175.328 175.510 -0.056 0.000 1.132 86 N CA -0.182 52.861 53.050 -0.012 0.000 0.856 86 N CB 0.384 38.866 38.487 -0.008 0.000 1.020 86 N HN 0.330 nan 8.380 nan 0.000 0.509 87 N N 0.254 118.850 118.700 -0.172 0.000 2.527 87 N HA 0.050 4.788 4.740 -0.004 0.000 0.236 87 N C -0.208 175.180 175.510 -0.203 0.000 0.999 87 N CA -0.344 52.605 53.050 -0.168 0.000 0.935 87 N CB 0.258 38.648 38.487 -0.162 0.000 1.132 87 N HN 0.058 nan 8.380 nan 0.000 0.511 88 W N 2.311 123.395 121.300 -0.360 0.000 3.353 88 W HA 0.418 5.076 4.660 -0.004 0.000 0.304 88 W C 1.023 177.486 176.519 -0.093 0.000 1.273 88 W CA -0.444 56.782 57.345 -0.199 0.000 1.773 88 W CB -0.288 29.062 29.460 -0.183 0.000 1.095 88 W HN 0.491 nan 8.180 nan 0.000 0.676 89 A N 0.877 123.722 122.820 0.042 0.000 2.462 89 A HA 0.448 4.766 4.320 -0.004 0.000 0.243 89 A C -0.318 177.175 177.584 -0.151 0.000 1.076 89 A CA 0.137 52.180 52.037 0.011 0.000 0.773 89 A CB 0.320 19.321 19.000 0.002 0.000 1.010 89 A HN -0.031 nan 8.150 nan 0.000 0.493 90 V N 2.228 121.936 119.914 -0.344 0.000 2.525 90 V HA 0.515 4.633 4.120 -0.004 0.000 0.299 90 V C 0.900 176.819 176.094 -0.292 0.000 1.034 90 V CA -0.343 61.651 62.300 -0.511 0.000 0.863 90 V CB 1.414 32.468 31.823 -1.282 0.000 0.999 90 V HN 1.299 nan 8.190 nan 0.000 0.423 91 G N 2.393 111.173 108.800 -0.033 0.000 2.178 91 G HA2 0.404 4.362 3.960 -0.004 0.000 0.244 91 G HA3 0.404 4.362 3.960 -0.004 0.000 0.244 91 G C 1.156 176.020 174.900 -0.060 0.000 1.213 91 G CA 0.972 45.950 45.100 -0.203 0.000 0.912 91 G HN 1.956 nan 8.290 nan 0.000 0.474 92 G N 1.525 110.266 108.800 -0.098 0.000 2.254 92 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.225 92 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.225 92 G C 0.435 175.467 174.900 0.220 0.000 1.003 92 G CA 0.153 45.288 45.100 0.058 0.000 0.622 92 G HN 0.724 nan 8.290 nan 0.000 0.507 93 Y N 2.866 123.198 120.300 0.054 0.000 2.620 93 Y HA 0.440 4.988 4.550 -0.004 0.000 0.330 93 Y C 1.639 177.573 175.900 0.057 0.000 1.186 93 Y CA -0.345 57.800 58.100 0.074 0.000 1.467 93 Y CB 0.269 38.788 38.460 0.099 0.000 1.262 93 Y HN 0.284 nan 8.280 nan 0.000 0.550 94 R N 0.582 121.174 120.500 0.153 0.000 2.541 94 R HA 0.159 4.497 4.340 -0.004 0.000 0.263 94 R C 1.573 177.931 176.300 0.097 0.000 1.112 94 R CA 0.259 56.418 56.100 0.098 0.000 1.170 94 R CB 0.419 30.749 30.300 0.049 0.000 1.167 94 R HN 0.766 nan 8.270 nan 0.000 0.582 95 T N -1.460 113.154 114.554 0.100 0.000 2.685 95 T HA -0.248 4.100 4.350 -0.004 0.000 0.268 95 T C 1.382 176.127 174.700 0.076 0.000 1.034 95 T CA 1.932 64.097 62.100 0.107 0.000 1.149 95 T CB -0.460 68.475 68.868 0.111 0.000 0.860 95 T HN 0.758 nan 8.240 nan 0.000 0.449 96 D N 1.185 121.604 120.400 0.031 0.000 2.178 96 D HA -0.173 4.465 4.640 -0.004 0.000 0.202 96 D C 2.116 178.423 176.300 0.012 0.000 0.974 96 D CA 1.008 55.020 54.000 0.021 0.000 0.841 96 D CB -0.505 40.286 40.800 -0.014 0.000 0.953 96 D HN 0.520 nan 8.370 nan 0.000 0.478 97 Q N 0.179 119.924 119.800 -0.092 0.000 2.123 97 Q HA 0.049 4.387 4.340 -0.004 0.000 0.199 97 Q C 2.600 178.437 176.000 -0.271 0.000 0.966 97 Q CA 0.603 56.206 55.803 -0.333 0.000 0.845 97 Q CB 0.065 28.388 28.738 -0.693 0.000 0.907 97 Q HN 0.350 nan 8.270 nan 0.000 0.439 98 I N -0.294 120.272 120.570 -0.006 0.000 2.179 98 I HA -0.312 3.856 4.170 -0.004 0.000 0.242 98 I C 2.179 178.345 176.117 0.082 0.000 1.088 98 I CA 1.281 62.691 61.300 0.182 0.000 1.357 98 I CB -0.313 37.822 38.000 0.226 0.000 1.051 98 I HN 0.224 nan 8.210 nan 0.000 0.409 99 Y N 2.150 122.419 120.300 -0.052 0.000 2.128 99 Y HA -0.346 4.202 4.550 -0.004 0.000 0.284 99 Y C 2.207 178.045 175.900 -0.102 0.000 1.154 99 Y CA 1.990 60.031 58.100 -0.099 0.000 1.149 99 Y CB -0.361 38.052 38.460 -0.079 0.000 0.976 99 Y HN 0.229 nan 8.280 nan 0.000 0.505 100 D N -0.706 119.668 120.400 -0.044 0.000 2.144 100 D HA -0.177 4.460 4.640 -0.004 0.000 0.199 100 D C 2.420 178.661 176.300 -0.098 0.000 0.984 100 D CA 1.686 55.628 54.000 -0.098 0.000 0.834 100 D CB -0.648 40.133 40.800 -0.031 0.000 0.955 100 D HN 0.498 nan 8.370 nan 0.000 0.465 101 S N -0.354 115.342 115.700 -0.007 0.000 2.474 101 S HA -0.043 4.424 4.470 -0.004 0.000 0.235 101 S C 1.982 176.585 174.600 0.005 0.000 0.997 101 S CA 0.372 58.684 58.200 0.186 0.000 0.949 101 S CB -0.315 63.188 63.200 0.507 0.000 0.766 101 S HN 0.254 nan 8.310 nan 0.000 0.517 102 I N 1.598 121.987 120.570 -0.303 0.000 2.810 102 I HA -0.012 4.156 4.170 -0.004 0.000 0.262 102 I C 2.710 178.584 176.117 -0.406 0.000 1.131 102 I CA 1.350 62.328 61.300 -0.537 0.000 1.453 102 I CB -0.128 37.375 38.000 -0.829 0.000 1.161 102 I HN 0.520 nan 8.210 nan 0.000 0.444 103 T N -1.916 112.358 114.554 -0.467 0.000 3.000 103 T HA 0.417 4.765 4.350 -0.004 0.000 0.248 103 T C 0.753 175.314 174.700 -0.231 0.000 1.034 103 T CA -0.001 61.852 62.100 -0.412 0.000 1.060 103 T CB 0.051 68.510 68.868 -0.680 0.000 0.983 103 T HN 0.109 nan 8.240 nan 0.000 0.482 104 A N 1.397 124.113 122.820 -0.174 0.000 2.295 104 A HA 0.851 5.168 4.320 -0.004 0.000 0.318 104 A C 0.554 178.128 177.584 -0.017 0.000 1.134 104 A CA -0.486 51.509 52.037 -0.071 0.000 0.827 104 A CB 0.346 19.323 19.000 -0.037 0.000 1.136 104 A HN 0.769 nan 8.150 nan 0.000 0.493 105 A N 2.056 124.876 122.820 -0.001 0.000 2.540 105 A HA 0.362 4.680 4.320 -0.004 0.000 0.239 105 A C 0.740 178.350 177.584 0.043 0.000 1.061 105 A CA 0.197 52.248 52.037 0.023 0.000 0.758 105 A CB -0.469 18.542 19.000 0.017 0.000 0.991 105 A HN 1.205 nan 8.150 nan 0.000 0.502 106 N N 0.953 119.693 118.700 0.067 0.000 2.696 106 N HA -0.206 4.532 4.740 -0.004 0.000 0.249 106 N C 0.968 176.536 175.510 0.096 0.000 1.090 106 N CA 1.249 54.348 53.050 0.082 0.000 0.716 106 N CB -1.329 37.194 38.487 0.060 0.000 1.020 106 N HN 0.998 nan 8.380 nan 0.000 0.548 107 G N -0.619 108.247 108.800 0.110 0.000 2.572 107 G HA2 -0.050 3.908 3.960 -0.004 0.000 0.216 107 G HA3 -0.050 3.908 3.960 -0.004 0.000 0.216 107 G C 0.591 175.608 174.900 0.196 0.000 1.133 107 G CA 0.645 45.807 45.100 0.104 0.000 0.791 107 G HN 0.357 nan 8.290 nan 0.000 0.538 108 S N 0.746 116.620 115.700 0.289 0.000 2.835 108 S HA 0.538 5.006 4.470 -0.004 0.000 0.286 108 S C -0.119 174.625 174.600 0.240 0.000 1.194 108 S CA -0.654 57.768 58.200 0.370 0.000 1.031 108 S CB -0.418 63.064 63.200 0.469 0.000 1.216 108 S HN 0.150 nan 8.310 nan 0.000 0.502 109 L N 5.347 126.737 121.223 0.278 0.000 2.282 109 L HA 0.557 4.895 4.340 -0.004 0.000 0.288 109 L C -0.421 176.558 176.870 0.182 0.000 1.033 109 L CA -0.840 54.117 54.840 0.195 0.000 0.807 109 L CB 1.295 43.459 42.059 0.175 0.000 1.209 109 L HN 0.410 nan 8.230 nan 0.000 0.423 110 I N 3.762 124.355 120.570 0.039 0.000 2.371 110 I HA 0.277 4.445 4.170 -0.004 0.000 0.282 110 I C -0.004 176.162 176.117 0.081 0.000 1.031 110 I CA -0.321 60.911 61.300 -0.113 0.000 1.180 110 I CB 0.933 38.723 38.000 -0.351 0.000 1.336 110 I HN 0.708 nan 8.210 nan 0.000 0.467 111 E N 6.058 126.434 120.200 0.294 0.000 2.272 111 E HA 0.676 5.024 4.350 -0.004 0.000 0.269 111 E C -0.859 175.985 176.600 0.407 0.000 0.877 111 E CA -1.097 55.489 56.400 0.310 0.000 0.755 111 E CB 2.887 32.708 29.700 0.201 0.000 1.192 111 E HN 0.398 nan 8.360 nan 0.000 0.422 112 R N 2.317 122.987 120.500 0.284 0.000 2.476 112 R HA 0.164 4.501 4.340 -0.004 0.000 0.305 112 R C -1.048 175.302 176.300 0.084 0.000 0.965 112 R CA -0.370 55.811 56.100 0.136 0.000 0.867 112 R CB 0.688 31.061 30.300 0.123 0.000 1.176 112 R HN 0.649 nan 8.270 nan 0.000 0.447 113 D N 4.101 124.531 120.400 0.050 0.000 2.746 113 D HA -0.211 4.427 4.640 -0.004 0.000 0.241 113 D C -0.531 175.802 176.300 0.055 0.000 1.140 113 D CA 0.944 54.969 54.000 0.043 0.000 0.707 113 D CB -0.716 40.104 40.800 0.033 0.000 1.034 113 D HN 0.847 nan 8.370 nan 0.000 0.423 114 N N -1.648 117.091 118.700 0.065 0.000 2.708 114 N HA -0.229 4.509 4.740 -0.004 0.000 0.251 114 N C 0.063 175.612 175.510 0.064 0.000 1.123 114 N CA 1.874 54.961 53.050 0.062 0.000 0.739 114 N CB -1.192 37.323 38.487 0.046 0.000 1.113 114 N HN 0.700 nan 8.380 nan 0.000 0.561 115 T N -0.988 113.612 114.554 0.078 0.000 2.824 115 T HA 0.508 4.856 4.350 -0.004 0.000 0.282 115 T C -0.358 174.399 174.700 0.096 0.000 0.993 115 T CA -0.886 61.259 62.100 0.076 0.000 0.967 115 T CB 1.617 70.524 68.868 0.065 0.000 0.960 115 T HN 0.130 nan 8.240 nan 0.000 0.441 116 L N 6.103 127.375 121.223 0.081 0.000 2.361 116 L HA 0.391 4.729 4.340 -0.004 0.000 0.278 116 L C 0.697 177.610 176.870 0.072 0.000 1.113 116 L CA -0.090 54.799 54.840 0.083 0.000 0.849 116 L CB -0.060 42.038 42.059 0.065 0.000 1.155 116 L HN 0.861 nan 8.230 nan 0.000 0.452 117 L N 4.045 125.314 121.223 0.077 0.000 2.168 117 L HA 0.260 4.598 4.340 -0.004 0.000 0.203 117 L C 1.003 177.881 176.870 0.014 0.000 1.078 117 L CA 0.304 55.176 54.840 0.052 0.000 0.780 117 L CB -0.084 42.015 42.059 0.066 0.000 0.939 117 L HN 0.667 nan 8.230 nan 0.000 0.451 118 R N -1.154 119.345 120.500 -0.003 0.000 2.690 118 R HA 0.395 4.732 4.340 -0.004 0.000 0.269 118 R C -1.655 174.644 176.300 -0.002 0.000 1.037 118 R CA -0.274 55.816 56.100 -0.016 0.000 0.877 118 R CB 2.101 32.369 30.300 -0.054 0.000 1.255 118 R HN -0.094 nan 8.270 nan 0.000 0.467 119 S N 1.070 116.776 115.700 0.010 0.000 2.541 119 S HA 0.749 5.217 4.470 -0.004 0.000 0.271 119 S C -1.760 172.867 174.600 0.044 0.000 1.133 119 S CA -0.805 57.421 58.200 0.042 0.000 0.876 119 S CB 1.183 64.415 63.200 0.054 0.000 1.105 119 S HN 0.725 nan 8.310 nan 0.000 0.470 120 R N 1.825 122.377 120.500 0.087 0.000 2.733 120 R HA 0.519 4.856 4.340 -0.004 0.000 0.272 120 R C -1.687 174.734 176.300 0.203 0.000 1.029 120 R CA -0.998 55.173 56.100 0.118 0.000 0.888 120 R CB 0.265 30.616 30.300 0.085 0.000 1.251 120 R HN 0.448 nan 8.270 nan 0.000 0.464 121 D N 0.527 121.050 120.400 0.205 0.000 2.382 121 D HA 0.132 4.770 4.640 -0.004 0.000 0.240 121 D C 0.330 176.811 176.300 0.302 0.000 1.146 121 D CA 0.670 54.786 54.000 0.193 0.000 0.897 121 D CB 0.945 41.819 40.800 0.123 0.000 1.197 121 D HN 0.635 nan 8.370 nan 0.000 0.432 122 G N 0.572 109.468 108.800 0.159 0.000 2.559 122 G HA2 -0.133 3.825 3.960 -0.004 0.000 0.235 122 G HA3 -0.133 3.825 3.960 -0.004 0.000 0.235 122 G C 0.794 175.617 174.900 -0.129 0.000 1.266 122 G CA -0.182 44.948 45.100 0.050 0.000 0.847 122 G HN 0.533 nan 8.290 nan 0.000 0.583 123 Y N 1.735 121.615 120.300 -0.700 0.000 2.030 123 Y HA -0.283 4.264 4.550 -0.004 0.000 0.272 123 Y C 2.541 178.286 175.900 -0.260 0.000 1.185 123 Y CA 2.286 59.919 58.100 -0.778 0.000 1.120 123 Y CB -0.300 37.686 38.460 -0.790 0.000 0.955 123 Y HN 0.332 nan 8.280 nan 0.000 0.495 124 L N -1.117 119.890 121.223 -0.360 0.000 2.191 124 L HA -0.213 4.124 4.340 -0.004 0.000 0.212 124 L C 2.289 179.018 176.870 -0.234 0.000 1.103 124 L CA 1.025 55.656 54.840 -0.347 0.000 0.769 124 L CB -0.725 41.191 42.059 -0.240 0.000 0.908 124 L HN 0.191 nan 8.230 nan 0.000 0.438 125 V N -0.619 119.197 119.914 -0.163 0.000 2.323 125 V HA -0.245 3.873 4.120 -0.004 0.000 0.244 125 V C 2.112 178.172 176.094 -0.057 0.000 1.041 125 V CA 1.762 64.010 62.300 -0.086 0.000 1.025 125 V CB -0.449 31.350 31.823 -0.040 0.000 0.656 125 V HN 0.379 nan 8.190 nan 0.000 0.451 126 D N -0.129 120.256 120.400 -0.024 0.000 2.117 126 D HA -0.124 4.514 4.640 -0.004 0.000 0.197 126 D C 2.449 178.726 176.300 -0.038 0.000 0.987 126 D CA 0.956 54.975 54.000 0.031 0.000 0.829 126 D CB -0.215 40.694 40.800 0.181 0.000 0.961 126 D HN 0.246 nan 8.370 nan 0.000 0.460 127 R N 0.634 121.036 120.500 -0.165 0.000 2.075 127 R HA 0.014 4.351 4.340 -0.004 0.000 0.232 127 R C 2.180 178.413 176.300 -0.112 0.000 1.126 127 R CA 0.948 56.936 56.100 -0.186 0.000 0.963 127 R CB -0.718 29.346 30.300 -0.394 0.000 0.858 127 R HN 0.114 nan 8.270 nan 0.000 0.435 128 A N 2.064 124.815 122.820 -0.114 0.000 1.972 128 A HA -0.171 4.147 4.320 -0.004 0.000 0.219 128 A C 1.910 179.469 177.584 -0.041 0.000 1.169 128 A CA 1.242 53.235 52.037 -0.074 0.000 0.635 128 A CB -0.468 18.488 19.000 -0.074 0.000 0.810 128 A HN 0.384 nan 8.150 nan 0.000 0.446 129 R N -0.412 120.070 120.500 -0.030 0.000 2.391 129 R HA 0.099 4.436 4.340 -0.004 0.000 0.225 129 R C 0.058 176.356 176.300 -0.003 0.000 1.079 129 R CA 0.780 56.874 56.100 -0.010 0.000 1.147 129 R CB -0.322 29.980 30.300 0.004 0.000 1.103 129 R HN 0.578 nan 8.270 nan 0.000 0.499 130 Q N -0.317 119.477 119.800 -0.010 0.000 2.023 130 Q HA 0.167 4.505 4.340 -0.004 0.000 0.211 130 Q C 0.005 176.002 176.000 -0.005 0.000 0.787 130 Q CA 0.155 55.957 55.803 -0.002 0.000 1.035 130 Q CB 1.733 30.473 28.738 0.004 0.000 1.221 130 Q HN 0.565 nan 8.270 nan 0.000 0.443 131 G N 1.785 110.577 108.800 -0.013 0.000 2.295 131 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.287 131 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.287 131 G C -0.307 174.584 174.900 -0.016 0.000 1.055 131 G CA 0.393 45.485 45.100 -0.013 0.000 0.922 131 G HN 0.254 nan 8.290 nan 0.000 0.503 132 L N -0.618 120.587 121.223 -0.030 0.000 2.381 132 L HA 0.750 5.088 4.340 -0.004 0.000 0.268 132 L C 1.164 177.998 176.870 -0.060 0.000 0.997 132 L CA -0.635 54.187 54.840 -0.031 0.000 0.818 132 L CB 1.913 43.958 42.059 -0.023 0.000 1.310 132 L HN 0.256 nan 8.230 nan 0.000 0.416 133 G N 0.816 109.592 108.800 -0.040 0.000 2.582 133 G HA2 0.616 4.573 3.960 -0.004 0.000 0.232 133 G HA3 0.616 4.573 3.960 -0.004 0.000 0.232 133 G C -0.070 174.810 174.900 -0.033 0.000 1.458 133 G CA -0.018 45.049 45.100 -0.054 0.000 1.062 133 G HN 0.738 nan 8.290 nan 0.000 0.566 134 A N -0.864 121.967 122.820 0.019 0.000 2.366 134 A HA 0.406 4.724 4.320 -0.004 0.000 0.250 134 A C 0.061 177.798 177.584 0.254 0.000 1.099 134 A CA 0.026 52.178 52.037 0.193 0.000 0.794 134 A CB 0.166 19.226 19.000 0.098 0.000 1.056 134 A HN 0.505 nan 8.150 nan 0.000 0.499 135 D N 0.027 120.695 120.400 0.447 0.000 2.339 135 D HA 0.356 4.994 4.640 -0.004 0.000 0.241 135 D C -1.843 174.669 176.300 0.352 0.000 1.183 135 D CA -1.904 52.296 54.000 0.333 0.000 0.859 135 D CB 1.083 42.063 40.800 0.300 0.000 1.067 135 D HN 0.065 nan 8.370 nan 0.000 0.484 136 P HA -0.004 nan 4.420 nan 0.000 0.226 136 P C 0.391 177.876 177.300 0.307 0.000 1.153 136 P CA 0.598 63.828 63.100 0.215 0.000 0.777 136 P CB 0.365 32.147 31.700 0.137 0.000 0.794 137 N N -1.038 117.846 118.700 0.307 0.000 2.254 137 N HA 0.135 4.872 4.740 -0.004 0.000 0.190 137 N C 0.611 176.355 175.510 0.390 0.000 1.107 137 N CA 0.016 53.270 53.050 0.340 0.000 0.869 137 N CB 0.260 38.869 38.487 0.203 0.000 0.983 137 N HN 0.048 nan 8.380 nan 0.000 0.487 138 A N 0.922 123.941 122.820 0.332 0.000 2.322 138 A HA 0.414 4.732 4.320 -0.004 0.000 0.269 138 A C -0.131 177.550 177.584 0.161 0.000 1.094 138 A CA -0.400 51.723 52.037 0.143 0.000 0.807 138 A CB 0.456 19.365 19.000 -0.153 0.000 1.047 138 A HN 0.196 nan 8.150 nan 0.000 0.487 139 L N 1.889 123.044 121.223 -0.114 0.000 2.290 139 L HA 0.515 4.853 4.340 -0.004 0.000 0.284 139 L C -1.114 175.608 176.870 -0.248 0.000 1.078 139 L CA 0.138 54.797 54.840 -0.302 0.000 0.815 139 L CB 0.006 41.640 42.059 -0.709 0.000 1.162 139 L HN 0.589 nan 8.230 nan 0.000 0.435 140 Y N 4.778 125.100 120.300 0.037 0.000 2.419 140 Y HA 0.498 5.046 4.550 -0.004 0.000 0.328 140 Y C -0.896 175.093 175.900 0.148 0.000 1.162 140 Y CA -0.055 58.102 58.100 0.095 0.000 1.174 140 Y CB 1.523 40.059 38.460 0.126 0.000 1.228 140 Y HN 0.569 nan 8.280 nan 0.000 0.473 141 Y N 3.114 123.517 120.300 0.171 0.000 2.399 141 Y HA 0.652 5.200 4.550 -0.004 0.000 0.327 141 Y C -1.789 174.206 175.900 0.157 0.000 1.111 141 Y CA -0.994 57.177 58.100 0.118 0.000 1.047 141 Y CB 0.960 39.444 38.460 0.040 0.000 1.259 141 Y HN 0.481 nan 8.280 nan 0.000 0.434 142 I N 5.754 126.320 120.570 -0.007 0.000 2.582 142 I HA 0.538 4.706 4.170 -0.004 0.000 0.292 142 I C -0.575 175.479 176.117 -0.105 0.000 1.066 142 I CA -0.823 60.526 61.300 0.082 0.000 1.053 142 I CB 2.543 40.619 38.000 0.126 0.000 1.241 142 I HN 0.666 nan 8.210 nan 0.000 0.421 143 T N 1.083 115.575 114.554 -0.105 0.000 2.926 143 T HA 0.971 5.318 4.350 -0.004 0.000 0.289 143 T C -0.176 174.487 174.700 -0.062 0.000 1.054 143 T CA -0.963 60.968 62.100 -0.283 0.000 1.015 143 T CB 2.318 70.772 68.868 -0.690 0.000 1.167 143 T HN 1.180 nan 8.240 nan 0.000 0.526 144 G N -2.061 106.712 108.800 -0.045 0.000 2.343 144 G HA2 0.530 4.488 3.960 -0.004 0.000 0.298 144 G HA3 0.530 4.488 3.960 -0.004 0.000 0.298 144 G C 0.098 175.056 174.900 0.097 0.000 1.644 144 G CA 0.080 45.213 45.100 0.056 0.000 0.958 144 G HN 1.998 nan 8.290 nan 0.000 0.702 145 G N -1.014 107.837 108.800 0.084 0.000 2.797 145 G HA2 0.213 4.171 3.960 -0.004 0.000 0.195 145 G HA3 0.213 4.171 3.960 -0.004 0.000 0.195 145 G C 1.630 176.590 174.900 0.100 0.000 1.026 145 G CA 1.390 46.523 45.100 0.055 0.000 0.759 145 G HN 2.154 nan 8.290 nan 0.000 0.475 146 G N 1.224 110.041 108.800 0.028 0.000 2.459 146 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.217 146 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.217 146 G C 1.473 176.443 174.900 0.116 0.000 1.183 146 G CA 1.697 46.825 45.100 0.047 0.000 0.776 146 G HN 0.487 nan 8.290 nan 0.000 0.552 147 N N 1.108 119.854 118.700 0.076 0.000 2.223 147 N HA -0.093 4.645 4.740 -0.004 0.000 0.185 147 N C 1.743 177.301 175.510 0.080 0.000 1.016 147 N CA 1.414 54.508 53.050 0.073 0.000 0.863 147 N CB -0.287 38.242 38.487 0.070 0.000 0.983 147 N HN 0.326 nan 8.380 nan 0.000 0.429 148 D N 0.209 120.658 120.400 0.082 0.000 2.123 148 D HA -0.122 4.516 4.640 -0.004 0.000 0.196 148 D C 1.661 177.931 176.300 -0.050 0.000 0.992 148 D CA 1.035 55.039 54.000 0.006 0.000 0.833 148 D CB -0.268 40.525 40.800 -0.011 0.000 0.954 148 D HN 0.210 nan 8.370 nan 0.000 0.455 149 F N 0.360 120.304 119.950 -0.010 0.000 2.113 149 F HA -0.037 4.487 4.527 -0.004 0.000 0.297 149 F C 2.211 178.005 175.800 -0.010 0.000 1.103 149 F CA 0.724 58.717 58.000 -0.012 0.000 1.248 149 F CB -0.360 38.618 39.000 -0.036 0.000 0.999 149 F HN -0.060 nan 8.300 nan 0.000 0.475 150 L N -0.502 120.827 121.223 0.177 0.000 2.079 150 L HA -0.253 4.084 4.340 -0.004 0.000 0.210 150 L C 1.755 178.661 176.870 0.059 0.000 1.081 150 L CA 1.465 56.360 54.840 0.092 0.000 0.752 150 L CB -0.787 41.303 42.059 0.052 0.000 0.896 150 L HN 0.254 nan 8.230 nan 0.000 0.433 151 Q N -0.229 119.598 119.800 0.045 0.000 2.282 151 Q HA 0.102 4.439 4.340 -0.004 0.000 0.205 151 Q C 1.217 177.219 176.000 0.005 0.000 0.915 151 Q CA 0.446 56.262 55.803 0.022 0.000 0.949 151 Q CB 0.332 29.082 28.738 0.020 0.000 1.035 151 Q HN 0.596 nan 8.270 nan 0.000 0.484 152 G N 1.609 110.413 108.800 0.007 0.000 2.168 152 G HA2 -0.354 3.604 3.960 -0.004 0.000 0.257 152 G HA3 -0.354 3.604 3.960 -0.004 0.000 0.257 152 G C 0.710 175.581 174.900 -0.049 0.000 0.997 152 G CA 0.412 45.505 45.100 -0.012 0.000 0.708 152 G HN 0.383 nan 8.290 nan 0.000 0.520 153 R N -0.643 119.812 120.500 -0.076 0.000 2.310 153 R HA 0.387 4.725 4.340 -0.004 0.000 0.202 153 R C 0.638 176.835 176.300 -0.171 0.000 0.933 153 R CA 0.413 56.454 56.100 -0.098 0.000 1.054 153 R CB 0.248 30.502 30.300 -0.077 0.000 0.985 153 R HN 0.499 nan 8.270 nan 0.000 0.489 154 I N 1.095 121.510 120.570 -0.259 0.000 2.493 154 I HA 0.142 4.309 4.170 -0.004 0.000 0.279 154 I C 0.090 176.091 176.117 -0.194 0.000 1.045 154 I CA -0.154 60.925 61.300 -0.368 0.000 1.106 154 I CB 1.709 39.121 38.000 -0.979 0.000 1.216 154 I HN 0.013 nan 8.210 nan 0.000 0.459 155 L N 4.891 126.061 121.223 -0.088 0.000 2.920 155 L HA 0.289 4.626 4.340 -0.004 0.000 0.257 155 L C -0.104 176.772 176.870 0.009 0.000 1.150 155 L CA -0.081 54.745 54.840 -0.023 0.000 0.959 155 L CB 0.076 42.113 42.059 -0.036 0.000 1.321 155 L HN 0.664 nan 8.230 nan 0.000 0.555 156 N N -3.450 115.256 118.700 0.009 0.000 2.934 156 N HA 0.150 4.888 4.740 -0.004 0.000 0.253 156 N C -0.130 175.409 175.510 0.049 0.000 1.466 156 N CA -0.680 52.393 53.050 0.039 0.000 0.858 156 N CB 0.415 38.913 38.487 0.019 0.000 1.459 156 N HN -0.328 nan 8.380 nan 0.000 0.532 157 D N -0.191 120.247 120.400 0.063 0.000 2.123 157 D HA -0.096 4.542 4.640 -0.004 0.000 0.196 157 D C 1.675 177.998 176.300 0.039 0.000 0.992 157 D CA 1.248 55.289 54.000 0.068 0.000 0.833 157 D CB -0.169 40.668 40.800 0.061 0.000 0.954 157 D HN 0.345 nan 8.370 nan 0.000 0.455 158 V N 0.899 120.823 119.914 0.017 0.000 2.287 158 V HA -0.275 3.843 4.120 -0.004 0.000 0.248 158 V C 2.475 178.559 176.094 -0.016 0.000 1.053 158 V CA 1.724 64.022 62.300 -0.003 0.000 1.027 158 V CB -0.541 31.277 31.823 -0.009 0.000 0.646 158 V HN 0.239 nan 8.190 nan 0.000 0.447 159 Q N -0.485 119.302 119.800 -0.023 0.000 2.170 159 Q HA -0.134 4.204 4.340 -0.004 0.000 0.203 159 Q C 2.378 178.350 176.000 -0.047 0.000 0.976 159 Q CA 1.588 57.360 55.803 -0.050 0.000 0.858 159 Q CB -0.348 28.344 28.738 -0.076 0.000 0.907 159 Q HN 0.699 nan 8.270 nan 0.000 0.433 160 A N 0.916 123.735 122.820 -0.003 0.000 1.897 160 A HA -0.213 4.104 4.320 -0.004 0.000 0.215 160 A C 1.950 179.578 177.584 0.074 0.000 1.181 160 A CA 1.186 53.286 52.037 0.105 0.000 0.620 160 A CB -0.332 18.807 19.000 0.230 0.000 0.821 160 A HN 0.309 nan 8.150 nan 0.000 0.443 161 Q N -0.509 119.293 119.800 0.003 0.000 2.084 161 Q HA -0.225 4.112 4.340 -0.004 0.000 0.202 161 Q C 2.260 178.193 176.000 -0.112 0.000 0.978 161 Q CA 1.726 57.484 55.803 -0.074 0.000 0.844 161 Q CB -0.223 28.489 28.738 -0.044 0.000 0.898 161 Q HN 0.763 nan 8.270 nan 0.000 0.426 162 Q N 0.012 119.768 119.800 -0.073 0.000 2.124 162 Q HA -0.129 4.208 4.340 -0.004 0.000 0.202 162 Q C 2.083 178.032 176.000 -0.085 0.000 0.977 162 Q CA 1.252 57.007 55.803 -0.080 0.000 0.850 162 Q CB -0.157 28.544 28.738 -0.063 0.000 0.901 162 Q HN 0.384 nan 8.270 nan 0.000 0.429 163 A N 0.932 123.724 122.820 -0.046 0.000 1.930 163 A HA -0.041 4.276 4.320 -0.004 0.000 0.217 163 A C 2.267 179.816 177.584 -0.058 0.000 1.175 163 A CA 1.358 53.421 52.037 0.044 0.000 0.627 163 A CB -0.617 18.507 19.000 0.207 0.000 0.815 163 A HN 0.380 nan 8.150 nan 0.000 0.443 164 A N -0.367 122.178 122.820 -0.458 0.000 1.930 164 A HA 0.144 4.461 4.320 -0.004 0.000 0.217 164 A C 2.365 179.734 177.584 -0.358 0.000 1.175 164 A CA 1.785 53.290 52.037 -0.888 0.000 0.627 164 A CB -1.288 17.078 19.000 -1.057 0.000 0.815 164 A HN 0.697 nan 8.150 nan 0.000 0.443 165 G N -0.633 108.026 108.800 -0.236 0.000 2.432 165 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.219 165 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.219 165 G C 1.754 176.573 174.900 -0.135 0.000 1.135 165 G CA 0.815 45.819 45.100 -0.159 0.000 0.767 165 G HN 0.560 nan 8.290 nan 0.000 0.550 166 R N -0.838 119.591 120.500 -0.118 0.000 2.115 166 R HA 0.086 4.424 4.340 -0.004 0.000 0.226 166 R C 2.385 178.660 176.300 -0.042 0.000 1.100 166 R CA 0.592 56.624 56.100 -0.113 0.000 0.980 166 R CB -0.381 29.870 30.300 -0.081 0.000 0.875 166 R HN 0.340 nan 8.270 nan 0.000 0.445 167 L N 0.733 121.958 121.223 0.003 0.000 2.017 167 L HA -0.142 4.196 4.340 -0.004 0.000 0.208 167 L C 2.063 178.945 176.870 0.020 0.000 1.073 167 L CA 1.610 56.486 54.840 0.061 0.000 0.745 167 L CB -0.408 41.729 42.059 0.129 0.000 0.894 167 L HN -0.114 nan 8.230 nan 0.000 0.432 168 V N -0.053 119.841 119.914 -0.034 0.000 2.392 168 V HA -0.297 3.820 4.120 -0.004 0.000 0.249 168 V C 2.249 178.327 176.094 -0.026 0.000 1.059 168 V CA 1.792 64.070 62.300 -0.037 0.000 1.051 168 V CB -0.896 30.886 31.823 -0.067 0.000 0.658 168 V HN 0.455 nan 8.190 nan 0.000 0.455 169 D N 0.023 120.394 120.400 -0.048 0.000 2.158 169 D HA -0.153 4.485 4.640 -0.004 0.000 0.197 169 D C 2.434 178.815 176.300 0.135 0.000 0.995 169 D CA 1.751 55.729 54.000 -0.036 0.000 0.846 169 D CB -0.208 40.423 40.800 -0.281 0.000 0.941 169 D HN 0.396 nan 8.370 nan 0.000 0.456 170 S N -0.327 115.463 115.700 0.149 0.000 2.355 170 S HA -0.091 4.377 4.470 -0.004 0.000 0.222 170 S C 2.338 176.917 174.600 -0.036 0.000 1.031 170 S CA 0.543 58.801 58.200 0.096 0.000 0.993 170 S CB -0.118 63.110 63.200 0.047 0.000 0.859 170 S HN 0.081 nan 8.310 nan 0.000 0.453 171 V N 2.034 121.937 119.914 -0.018 0.000 2.282 171 V HA -0.278 3.839 4.120 -0.004 0.000 0.249 171 V C 2.403 178.460 176.094 -0.062 0.000 1.057 171 V CA 1.858 64.133 62.300 -0.043 0.000 1.032 171 V CB -0.834 30.977 31.823 -0.019 0.000 0.645 171 V HN 0.514 nan 8.190 nan 0.000 0.447 172 Q N -0.374 119.405 119.800 -0.034 0.000 2.167 172 Q HA -0.095 4.242 4.340 -0.004 0.000 0.202 172 Q C 2.421 178.393 176.000 -0.046 0.000 0.970 172 Q CA 1.481 57.263 55.803 -0.036 0.000 0.855 172 Q CB -0.389 28.337 28.738 -0.019 0.000 0.911 172 Q HN 0.693 nan 8.270 nan 0.000 0.438 173 A N 0.912 123.711 122.820 -0.036 0.000 1.902 173 A HA -0.155 4.162 4.320 -0.004 0.000 0.217 173 A C 2.042 179.537 177.584 -0.149 0.000 1.181 173 A CA 1.089 53.078 52.037 -0.080 0.000 0.623 173 A CB -0.581 18.341 19.000 -0.130 0.000 0.818 173 A HN 0.272 nan 8.150 nan 0.000 0.443 174 L N -0.706 120.399 121.223 -0.196 0.000 2.027 174 L HA -0.225 4.112 4.340 -0.004 0.000 0.206 174 L C 2.926 179.663 176.870 -0.223 0.000 1.074 174 L CA 1.724 56.401 54.840 -0.272 0.000 0.745 174 L CB -0.604 41.214 42.059 -0.403 0.000 0.898 174 L HN 0.659 nan 8.230 nan 0.000 0.433 175 Q N 0.495 120.197 119.800 -0.163 0.000 2.030 175 Q HA -0.308 4.029 4.340 -0.004 0.000 0.204 175 Q C 2.121 178.066 176.000 -0.091 0.000 0.986 175 Q CA 2.117 57.849 55.803 -0.118 0.000 0.843 175 Q CB -0.227 28.462 28.738 -0.083 0.000 0.904 175 Q HN 0.537 nan 8.270 nan 0.000 0.420 176 Q N -0.285 119.468 119.800 -0.078 0.000 2.197 176 Q HA -0.139 4.198 4.340 -0.004 0.000 0.207 176 Q C 1.800 177.761 176.000 -0.066 0.000 0.984 176 Q CA 1.365 57.132 55.803 -0.061 0.000 0.869 176 Q CB -0.151 28.556 28.738 -0.051 0.000 0.906 176 Q HN 0.545 nan 8.270 nan 0.000 0.426 177 A N -0.389 122.379 122.820 -0.088 0.000 2.251 177 A HA 0.327 4.645 4.320 -0.004 0.000 0.209 177 A C 1.378 178.926 177.584 -0.060 0.000 1.187 177 A CA 0.746 52.734 52.037 -0.081 0.000 0.823 177 A CB -0.020 18.916 19.000 -0.106 0.000 0.846 177 A HN 0.447 nan 8.150 nan 0.000 0.486 178 G N -2.159 106.603 108.800 -0.064 0.000 2.148 178 G HA2 0.162 4.119 3.960 -0.004 0.000 0.203 178 G HA3 0.162 4.119 3.960 -0.004 0.000 0.203 178 G C 0.328 175.207 174.900 -0.034 0.000 0.993 178 G CA 0.056 45.134 45.100 -0.036 0.000 0.661 178 G HN 1.487 nan 8.290 nan 0.000 0.518 179 A N -0.133 122.617 122.820 -0.116 0.000 2.440 179 A HA 0.738 5.056 4.320 -0.004 0.000 0.251 179 A C 1.182 178.707 177.584 -0.099 0.000 1.089 179 A CA 0.703 52.652 52.037 -0.145 0.000 0.779 179 A CB 0.285 18.952 19.000 -0.555 0.000 1.022 179 A HN 0.468 nan 8.150 nan 0.000 0.492 180 R N 0.092 120.549 120.500 -0.071 0.000 2.419 180 R HA 0.168 4.505 4.340 -0.004 0.000 0.235 180 R C -1.210 174.690 176.300 -0.668 0.000 0.899 180 R CA 0.429 56.298 56.100 -0.384 0.000 1.048 180 R CB 0.564 30.555 30.300 -0.514 0.000 1.182 180 R HN 0.758 nan 8.270 nan 0.000 0.544 181 Y N 0.431 120.847 120.300 0.193 0.000 2.332 181 Y HA 0.468 5.015 4.550 -0.004 0.000 0.325 181 Y C -0.662 175.312 175.900 0.123 0.000 1.054 181 Y CA -0.868 57.316 58.100 0.140 0.000 1.119 181 Y CB 1.467 40.008 38.460 0.135 0.000 1.168 181 Y HN -0.165 nan 8.280 nan 0.000 0.439 182 I N 3.977 124.646 120.570 0.165 0.000 2.468 182 I HA 0.375 4.542 4.170 -0.004 0.000 0.284 182 I C -0.811 175.310 176.117 0.007 0.000 1.038 182 I CA -0.998 60.374 61.300 0.119 0.000 1.083 182 I CB 1.652 39.691 38.000 0.064 0.000 1.223 182 I HN 0.260 nan 8.210 nan 0.000 0.443 183 V N 7.022 126.927 119.914 -0.015 0.000 2.488 183 V HA 0.302 4.420 4.120 -0.004 0.000 0.277 183 V C 0.139 176.139 176.094 -0.156 0.000 1.046 183 V CA -0.345 61.870 62.300 -0.141 0.000 0.986 183 V CB 1.372 33.103 31.823 -0.154 0.000 0.989 183 V HN 0.430 nan 8.190 nan 0.000 0.475 184 V N 4.035 123.872 119.914 -0.128 0.000 2.577 184 V HA 0.393 4.511 4.120 -0.004 0.000 0.303 184 V C -0.787 175.343 176.094 0.059 0.000 1.042 184 V CA -0.927 61.356 62.300 -0.028 0.000 0.872 184 V CB 1.811 33.639 31.823 0.008 0.000 0.998 184 V HN 0.864 nan 8.190 nan 0.000 0.423 185 W N 4.242 125.456 121.300 -0.144 0.000 2.253 185 W HA 0.517 5.174 4.660 -0.004 0.000 0.322 185 W C -0.027 176.513 176.519 0.035 0.000 1.342 185 W CA -0.505 56.805 57.345 -0.059 0.000 1.218 185 W CB 0.415 29.854 29.460 -0.035 0.000 1.205 185 W HN 0.319 nan 8.180 nan 0.000 0.551 186 L N 4.044 125.398 121.223 0.219 0.000 2.439 186 L HA 0.095 4.433 4.340 -0.004 0.000 0.269 186 L C 0.276 177.316 176.870 0.284 0.000 1.179 186 L CA -0.349 54.632 54.840 0.235 0.000 0.828 186 L CB -0.182 41.962 42.059 0.141 0.000 1.106 186 L HN 0.224 nan 8.230 nan 0.000 0.467 187 L N 5.941 127.313 121.223 0.249 0.000 2.455 187 L HA 0.261 4.598 4.340 -0.004 0.000 0.272 187 L C -2.074 174.845 176.870 0.080 0.000 1.174 187 L CA -0.853 54.031 54.840 0.073 0.000 0.869 187 L CB 0.120 41.981 42.059 -0.329 0.000 1.130 187 L HN 0.442 nan 8.230 nan 0.000 0.474 188 P HA -0.027 nan 4.420 nan 0.000 0.269 188 P C -1.168 176.124 177.300 -0.012 0.000 1.217 188 P CA -0.213 62.936 63.100 0.082 0.000 0.783 188 P CB 0.337 32.132 31.700 0.159 0.000 0.898 189 D N 1.834 122.235 120.400 0.002 0.000 2.346 189 D HA -0.009 4.628 4.640 -0.004 0.000 0.267 189 D C 1.027 177.295 176.300 -0.052 0.000 1.320 189 D CA 0.322 54.306 54.000 -0.026 0.000 0.951 189 D CB 0.026 40.830 40.800 0.006 0.000 1.079 189 D HN 0.262 nan 8.370 nan 0.000 0.509 190 L N 3.045 124.177 121.223 -0.151 0.000 2.456 190 L HA 0.002 4.340 4.340 -0.004 0.000 0.224 190 L C 2.265 179.077 176.870 -0.095 0.000 1.148 190 L CA 0.750 55.479 54.840 -0.186 0.000 0.825 190 L CB -0.048 41.763 42.059 -0.415 0.000 0.937 190 L HN 0.452 nan 8.230 nan 0.000 0.450 191 G N -0.291 108.484 108.800 -0.041 0.000 2.744 191 G HA2 0.009 3.967 3.960 -0.004 0.000 0.211 191 G HA3 0.009 3.967 3.960 -0.004 0.000 0.211 191 G C 1.083 176.055 174.900 0.120 0.000 1.143 191 G CA -0.060 45.060 45.100 0.033 0.000 0.788 191 G HN 0.271 nan 8.290 nan 0.000 0.534 192 L N 2.318 123.577 121.223 0.061 0.000 3.096 192 L HA 0.286 4.624 4.340 -0.004 0.000 0.247 192 L C 0.361 177.185 176.870 -0.077 0.000 1.321 192 L CA -0.318 54.542 54.840 0.033 0.000 1.044 192 L CB 0.133 42.209 42.059 0.027 0.000 1.434 192 L HN 0.155 nan 8.230 nan 0.000 0.533 193 T N -5.258 109.198 114.554 -0.164 0.000 2.916 193 T HA 0.436 4.784 4.350 -0.004 0.000 0.292 193 T C -2.283 172.163 174.700 -0.423 0.000 1.055 193 T CA -1.995 59.791 62.100 -0.523 0.000 1.009 193 T CB 2.420 71.067 68.868 -0.370 0.000 1.118 193 T HN -0.237 nan 8.240 nan 0.000 0.497 194 P HA -0.039 nan 4.420 nan 0.000 0.218 194 P C 1.586 178.811 177.300 -0.125 0.000 1.146 194 P CA 1.347 64.283 63.100 -0.273 0.000 0.813 194 P CB -0.226 31.301 31.700 -0.288 0.000 0.778 195 A N -0.540 122.182 122.820 -0.164 0.000 1.908 195 A HA -0.186 4.131 4.320 -0.004 0.000 0.218 195 A C 2.141 179.706 177.584 -0.032 0.000 1.181 195 A CA 2.724 54.711 52.037 -0.084 0.000 0.627 195 A CB -1.547 17.395 19.000 -0.097 0.000 0.818 195 A HN 0.370 nan 8.150 nan 0.000 0.445 196 T N -5.719 108.827 114.554 -0.013 0.000 2.958 196 T HA 0.280 4.627 4.350 -0.004 0.000 0.256 196 T C 0.319 175.049 174.700 0.050 0.000 0.983 196 T CA -0.239 61.873 62.100 0.020 0.000 0.924 196 T CB -0.378 68.503 68.868 0.021 0.000 1.136 196 T HN 0.137 nan 8.240 nan 0.000 0.506 197 F N 3.463 123.364 119.950 -0.082 0.000 2.608 197 F HA 0.422 4.947 4.527 -0.004 0.000 0.380 197 F C 1.564 177.341 175.800 -0.039 0.000 1.083 197 F CA 1.016 58.978 58.000 -0.063 0.000 1.266 197 F CB -0.035 38.915 39.000 -0.084 0.000 1.076 197 F HN 0.471 nan 8.300 nan 0.000 0.574 198 G N 3.470 111.779 108.800 -0.818 0.000 2.189 198 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.267 198 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.267 198 G C 0.459 175.204 174.900 -0.258 0.000 0.975 198 G CA 0.186 44.914 45.100 -0.620 0.000 0.644 198 G HN 1.310 nan 8.290 nan 0.000 0.537 199 G N -0.372 108.334 108.800 -0.157 0.000 2.511 199 G HA2 0.700 4.658 3.960 -0.004 0.000 0.316 199 G HA3 0.700 4.658 3.960 -0.004 0.000 0.316 199 G C -0.511 174.372 174.900 -0.028 0.000 1.210 199 G CA -0.287 44.774 45.100 -0.065 0.000 0.969 199 G HN 0.080 nan 8.290 nan 0.000 0.492 200 P HA -0.016 nan 4.420 nan 0.000 0.226 200 P C 1.606 179.023 177.300 0.194 0.000 1.153 200 P CA 0.608 63.759 63.100 0.086 0.000 0.777 200 P CB 0.305 32.050 31.700 0.075 0.000 0.794 201 L N -0.519 120.793 121.223 0.148 0.000 2.418 201 L HA -0.024 4.313 4.340 -0.004 0.000 0.218 201 L C 2.899 179.889 176.870 0.199 0.000 1.125 201 L CA 0.658 55.631 54.840 0.222 0.000 0.835 201 L CB -0.781 41.348 42.059 0.117 0.000 0.953 201 L HN 0.066 nan 8.230 nan 0.000 0.454 202 Q N 1.303 121.151 119.800 0.081 0.000 2.062 202 Q HA -0.224 4.114 4.340 -0.004 0.000 0.209 202 Q C -0.621 175.375 176.000 -0.006 0.000 0.996 202 Q CA 2.381 58.199 55.803 0.025 0.000 0.859 202 Q CB -0.662 28.052 28.738 -0.040 0.000 0.920 202 Q HN 0.299 nan 8.270 nan 0.000 0.415 203 P HA -0.103 nan 4.420 nan 0.000 0.217 203 P C 0.616 177.759 177.300 -0.262 0.000 1.151 203 P CA 1.229 64.175 63.100 -0.256 0.000 0.828 203 P CB -0.179 31.229 31.700 -0.488 0.000 0.788 204 F N 0.197 120.162 119.950 0.025 0.000 2.186 204 F HA -0.030 4.494 4.527 -0.004 0.000 0.299 204 F C 2.499 178.336 175.800 0.063 0.000 1.090 204 F CA 1.069 59.098 58.000 0.047 0.000 1.307 204 F CB -1.606 37.423 39.000 0.049 0.000 1.019 204 F HN -0.112 nan 8.300 nan 0.000 0.489 205 A N -0.177 122.761 122.820 0.197 0.000 1.865 205 A HA -0.191 4.126 4.320 -0.004 0.000 0.217 205 A C 2.415 179.999 177.584 -0.000 0.000 1.191 205 A CA 2.235 54.318 52.037 0.078 0.000 0.623 205 A CB -1.202 17.812 19.000 0.023 0.000 0.826 205 A HN 0.308 nan 8.150 nan 0.000 0.444 206 S N -0.211 115.490 115.700 0.001 0.000 2.368 206 S HA -0.208 4.259 4.470 -0.004 0.000 0.225 206 S C 2.174 176.785 174.600 0.019 0.000 1.030 206 S CA 1.786 59.981 58.200 -0.009 0.000 0.999 206 S CB -0.335 62.860 63.200 -0.008 0.000 0.844 206 S HN 0.856 nan 8.310 nan 0.000 0.459 207 Q N 1.249 121.071 119.800 0.036 0.000 2.187 207 Q HA 0.127 4.465 4.340 -0.004 0.000 0.199 207 Q C 1.779 177.856 176.000 0.128 0.000 0.957 207 Q CA 1.249 57.089 55.803 0.062 0.000 0.857 207 Q CB -0.596 28.164 28.738 0.036 0.000 0.929 207 Q HN 0.451 nan 8.270 nan 0.000 0.453 208 L N 0.248 121.583 121.223 0.186 0.000 2.156 208 L HA -0.042 4.295 4.340 -0.004 0.000 0.208 208 L C 2.269 179.342 176.870 0.338 0.000 1.095 208 L CA 0.983 56.009 54.840 0.310 0.000 0.770 208 L CB -0.330 42.024 42.059 0.493 0.000 0.914 208 L HN 0.266 nan 8.230 nan 0.000 0.439 209 S N 0.104 115.881 115.700 0.127 0.000 2.368 209 S HA -0.118 4.349 4.470 -0.004 0.000 0.225 209 S C 2.061 176.759 174.600 0.164 0.000 1.030 209 S CA 1.250 59.474 58.200 0.040 0.000 0.999 209 S CB -0.519 62.616 63.200 -0.109 0.000 0.844 209 S HN 0.598 nan 8.310 nan 0.000 0.459 210 G N 1.349 110.225 108.800 0.127 0.000 2.446 210 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.217 210 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.217 210 G C 1.478 176.472 174.900 0.157 0.000 1.168 210 G CA 1.615 46.788 45.100 0.122 0.000 0.771 210 G HN 0.489 nan 8.290 nan 0.000 0.551 211 T N 0.639 115.298 114.554 0.176 0.000 2.746 211 T HA -0.136 4.212 4.350 -0.004 0.000 0.267 211 T C 1.922 176.739 174.700 0.195 0.000 1.039 211 T CA 1.189 63.386 62.100 0.162 0.000 1.142 211 T CB -0.327 68.636 68.868 0.159 0.000 0.866 211 T HN 0.267 nan 8.240 nan 0.000 0.444 212 F N 2.685 122.716 119.950 0.135 0.000 2.065 212 F HA -0.206 4.319 4.527 -0.004 0.000 0.298 212 F C 2.186 178.045 175.800 0.099 0.000 1.112 212 F CA 1.391 59.476 58.000 0.141 0.000 1.212 212 F CB -0.240 38.901 39.000 0.236 0.000 0.975 212 F HN 0.057 nan 8.300 nan 0.000 0.476 213 N N 0.551 119.490 118.700 0.398 0.000 2.244 213 N HA -0.089 4.648 4.740 -0.004 0.000 0.183 213 N C 1.890 177.462 175.510 0.104 0.000 1.016 213 N CA 1.204 54.412 53.050 0.263 0.000 0.866 213 N CB -0.662 37.967 38.487 0.237 0.000 0.980 213 N HN 0.432 nan 8.380 nan 0.000 0.430 214 A N 1.170 124.041 122.820 0.085 0.000 1.930 214 A HA -0.088 4.230 4.320 -0.004 0.000 0.217 214 A C 2.097 179.681 177.584 0.000 0.000 1.175 214 A CA 1.073 53.135 52.037 0.042 0.000 0.627 214 A CB -0.218 18.809 19.000 0.046 0.000 0.815 214 A HN 0.118 nan 8.150 nan 0.000 0.443 215 E N -0.624 119.555 120.200 -0.034 0.000 2.152 215 E HA -0.121 4.227 4.350 -0.004 0.000 0.192 215 E C 1.969 178.498 176.600 -0.118 0.000 0.983 215 E CA 0.959 57.308 56.400 -0.086 0.000 0.818 215 E CB -0.233 29.389 29.700 -0.130 0.000 0.758 215 E HN 0.519 nan 8.360 nan 0.000 0.467 216 L N 1.190 122.322 121.223 -0.151 0.000 1.994 216 L HA -0.171 4.166 4.340 -0.004 0.000 0.208 216 L C 2.559 179.403 176.870 -0.044 0.000 1.071 216 L CA 2.627 57.388 54.840 -0.132 0.000 0.745 216 L CB -1.122 40.883 42.059 -0.089 0.000 0.892 216 L HN 0.161 nan 8.230 nan 0.000 0.431 217 T N -2.824 111.727 114.554 -0.006 0.000 2.821 217 T HA -0.063 4.284 4.350 -0.004 0.000 0.267 217 T C 1.885 176.584 174.700 -0.002 0.000 1.046 217 T CA 1.034 63.140 62.100 0.009 0.000 1.139 217 T CB -0.903 67.981 68.868 0.027 0.000 0.871 217 T HN 0.384 nan 8.240 nan 0.000 0.454 218 A N 1.531 124.344 122.820 -0.012 0.000 1.873 218 A HA -0.074 4.244 4.320 -0.004 0.000 0.215 218 A C 2.540 180.110 177.584 -0.023 0.000 1.186 218 A CA 1.464 53.492 52.037 -0.014 0.000 0.616 218 A CB -0.791 18.200 19.000 -0.016 0.000 0.823 218 A HN 0.612 nan 8.150 nan 0.000 0.442 219 Q N -0.502 119.274 119.800 -0.039 0.000 2.050 219 Q HA -0.104 4.234 4.340 -0.004 0.000 0.202 219 Q C 2.153 178.134 176.000 -0.032 0.000 0.980 219 Q CA 1.432 57.208 55.803 -0.045 0.000 0.840 219 Q CB -0.323 28.373 28.738 -0.069 0.000 0.898 219 Q HN 0.678 nan 8.270 nan 0.000 0.424 220 L N 0.123 121.330 121.223 -0.027 0.000 2.079 220 L HA -0.200 4.137 4.340 -0.004 0.000 0.210 220 L C 2.627 179.496 176.870 -0.002 0.000 1.081 220 L CA 0.895 55.727 54.840 -0.013 0.000 0.752 220 L CB -0.503 41.553 42.059 -0.005 0.000 0.896 220 L HN 0.206 nan 8.230 nan 0.000 0.433 221 S N -0.654 115.046 115.700 -0.000 0.000 2.402 221 S HA -0.233 4.234 4.470 -0.004 0.000 0.233 221 S C 1.795 176.395 174.600 -0.000 0.000 1.030 221 S CA 1.500 59.704 58.200 0.006 0.000 1.003 221 S CB -0.019 63.183 63.200 0.004 0.000 0.813 221 S HN 0.506 nan 8.310 nan 0.000 0.477 222 Q N -0.988 118.807 119.800 -0.008 0.000 2.247 222 Q HA 0.345 4.682 4.340 -0.004 0.000 0.211 222 Q C 1.997 177.988 176.000 -0.014 0.000 0.861 222 Q CA 0.452 56.249 55.803 -0.011 0.000 0.949 222 Q CB 0.294 29.022 28.738 -0.015 0.000 1.115 222 Q HN 0.596 nan 8.270 nan 0.000 0.507 223 A N 0.654 123.465 122.820 -0.015 0.000 2.014 223 A HA 0.146 4.464 4.320 -0.004 0.000 0.218 223 A C 1.683 179.257 177.584 -0.016 0.000 1.163 223 A CA 1.209 53.234 52.037 -0.019 0.000 0.652 223 A CB -0.518 18.468 19.000 -0.023 0.000 0.808 223 A HN 0.445 nan 8.150 nan 0.000 0.449 224 G N -1.872 106.923 108.800 -0.008 0.000 2.153 224 G HA2 0.058 4.016 3.960 -0.004 0.000 0.252 224 G HA3 0.058 4.016 3.960 -0.004 0.000 0.252 224 G C 0.390 175.284 174.900 -0.009 0.000 0.994 224 G CA 0.598 45.695 45.100 -0.006 0.000 0.698 224 G HN 1.559 nan 8.290 nan 0.000 0.521 225 A N -0.495 122.319 122.820 -0.011 0.000 2.302 225 A HA 0.681 4.999 4.320 -0.004 0.000 0.285 225 A C 0.502 178.090 177.584 0.006 0.000 1.105 225 A CA 0.065 52.092 52.037 -0.018 0.000 0.816 225 A CB 0.491 19.474 19.000 -0.028 0.000 1.067 225 A HN 0.588 nan 8.150 nan 0.000 0.489 226 N N 1.194 119.893 118.700 -0.001 0.000 2.807 226 N HA 0.332 5.070 4.740 -0.004 0.000 0.259 226 N C -1.077 174.471 175.510 0.063 0.000 1.149 226 N CA 0.141 53.219 53.050 0.047 0.000 1.042 226 N CB -0.050 38.439 38.487 0.002 0.000 1.367 226 N HN 0.279 nan 8.380 nan 0.000 0.516 227 V N 3.704 123.649 119.914 0.051 0.000 2.427 227 V HA 0.377 4.495 4.120 -0.004 0.000 0.286 227 V C 0.174 176.146 176.094 -0.203 0.000 1.034 227 V CA -0.831 61.448 62.300 -0.035 0.000 0.893 227 V CB 1.193 33.000 31.823 -0.027 0.000 0.982 227 V HN 0.319 nan 8.190 nan 0.000 0.452 228 I N 8.335 128.664 120.570 -0.402 0.000 2.287 228 I HA 0.328 4.496 4.170 -0.004 0.000 0.290 228 I C -2.131 173.700 176.117 -0.478 0.000 1.069 228 I CA -1.896 58.902 61.300 -0.837 0.000 1.237 228 I CB 0.983 38.488 38.000 -0.826 0.000 1.418 228 I HN 0.432 nan 8.210 nan 0.000 0.481 229 P HA 0.210 nan 4.420 nan 0.000 0.285 229 P C -0.822 176.339 177.300 -0.232 0.000 1.259 229 P CA -0.532 62.452 63.100 -0.194 0.000 0.794 229 P CB 1.389 33.039 31.700 -0.083 0.000 0.940 230 L N 4.031 125.133 121.223 -0.203 0.000 2.255 230 L HA 0.271 4.609 4.340 -0.004 0.000 0.289 230 L C 0.947 177.806 176.870 -0.017 0.000 1.046 230 L CA -0.016 54.688 54.840 -0.227 0.000 0.816 230 L CB -0.340 41.473 42.059 -0.409 0.000 1.197 230 L HN 0.328 nan 8.230 nan 0.000 0.427 231 N N 4.372 123.169 118.700 0.161 0.000 3.178 231 N HA 0.026 4.764 4.740 -0.004 0.000 0.300 231 N C 1.208 176.726 175.510 0.014 0.000 1.242 231 N CA -0.049 53.061 53.050 0.100 0.000 1.192 231 N CB 0.158 38.707 38.487 0.103 0.000 1.463 231 N HN 0.441 nan 8.380 nan 0.000 0.539 232 I N 1.791 122.316 120.570 -0.075 0.000 2.163 232 I HA -0.170 3.998 4.170 -0.004 0.000 0.243 232 I C -0.653 175.393 176.117 -0.119 0.000 1.085 232 I CA 1.090 62.267 61.300 -0.204 0.000 1.347 232 I CB -2.036 35.755 38.000 -0.348 0.000 1.044 232 I HN 0.286 nan 8.210 nan 0.000 0.408 233 P HA -0.163 nan 4.420 nan 0.000 0.215 233 P C 2.097 179.377 177.300 -0.033 0.000 1.153 233 P CA 1.127 64.215 63.100 -0.019 0.000 0.853 233 P CB -0.048 31.659 31.700 0.011 0.000 0.788 234 L N -1.138 120.061 121.223 -0.040 0.000 2.109 234 L HA -0.062 4.275 4.340 -0.004 0.000 0.207 234 L C 2.156 178.982 176.870 -0.073 0.000 1.086 234 L CA 1.531 56.346 54.840 -0.041 0.000 0.760 234 L CB -1.578 40.468 42.059 -0.022 0.000 0.910 234 L HN -0.154 nan 8.230 nan 0.000 0.437 235 L N -0.728 120.402 121.223 -0.155 0.000 2.012 235 L HA -0.222 4.116 4.340 -0.004 0.000 0.210 235 L C 2.428 179.300 176.870 0.004 0.000 1.073 235 L CA 2.050 56.787 54.840 -0.173 0.000 0.748 235 L CB -0.740 41.022 42.059 -0.495 0.000 0.891 235 L HN 0.396 nan 8.230 nan 0.000 0.431 236 L N -0.778 120.425 121.223 -0.034 0.000 2.012 236 L HA -0.287 4.050 4.340 -0.004 0.000 0.210 236 L C 2.562 179.419 176.870 -0.022 0.000 1.073 236 L CA 1.714 56.556 54.840 0.002 0.000 0.748 236 L CB -0.354 41.699 42.059 -0.010 0.000 0.891 236 L HN 0.255 nan 8.230 nan 0.000 0.431 237 K N -0.230 120.149 120.400 -0.034 0.000 2.074 237 K HA -0.243 4.075 4.320 -0.004 0.000 0.209 237 K C 1.940 178.486 176.600 -0.090 0.000 1.048 237 K CA 2.145 58.404 56.287 -0.047 0.000 0.926 237 K CB -0.187 32.294 32.500 -0.031 0.000 0.713 237 K HN 0.491 nan 8.250 nan 0.000 0.444 238 E N -0.265 119.876 120.200 -0.099 0.000 2.072 238 E HA -0.129 4.219 4.350 -0.004 0.000 0.191 238 E C 2.214 178.555 176.600 -0.431 0.000 0.985 238 E CA 0.996 57.286 56.400 -0.184 0.000 0.801 238 E CB -0.166 29.476 29.700 -0.097 0.000 0.750 238 E HN 0.463 nan 8.360 nan 0.000 0.452 239 G N 1.100 109.609 108.800 -0.484 0.000 2.440 239 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.218 239 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.218 239 G C 1.569 176.255 174.900 -0.357 0.000 1.154 239 G CA 0.824 45.488 45.100 -0.727 0.000 0.767 239 G HN 0.092 nan 8.290 nan 0.000 0.552 240 M N 0.731 120.217 119.600 -0.190 0.000 2.117 240 M HA -0.028 4.450 4.480 -0.004 0.000 0.262 240 M C 2.993 179.214 176.300 -0.131 0.000 1.065 240 M CA 1.480 56.705 55.300 -0.126 0.000 1.114 240 M CB -0.172 32.381 32.600 -0.080 0.000 1.361 240 M HN 0.323 nan 8.290 nan 0.000 0.408 241 A N -0.356 122.374 122.820 -0.151 0.000 2.014 241 A HA -0.071 4.247 4.320 -0.004 0.000 0.218 241 A C 1.104 178.598 177.584 -0.151 0.000 1.163 241 A CA 1.327 53.289 52.037 -0.125 0.000 0.652 241 A CB -0.202 18.734 19.000 -0.108 0.000 0.808 241 A HN 0.501 nan 8.150 nan 0.000 0.449 242 N N -1.470 117.086 118.700 -0.240 0.000 2.697 242 N HA 0.241 4.979 4.740 -0.004 0.000 0.253 242 N C -2.650 172.671 175.510 -0.314 0.000 1.604 242 N CA -1.563 51.343 53.050 -0.240 0.000 0.772 242 N CB 0.919 39.268 38.487 -0.230 0.000 1.267 242 N HN -0.094 nan 8.380 nan 0.000 0.510 243 P HA -0.034 nan 4.420 nan 0.000 0.216 243 P C 1.143 178.386 177.300 -0.095 0.000 1.153 243 P CA 1.060 64.057 63.100 -0.172 0.000 0.848 243 P CB 0.274 31.919 31.700 -0.093 0.000 0.787 244 A N 0.428 123.204 122.820 -0.073 0.000 2.024 244 A HA -0.200 4.118 4.320 -0.004 0.000 0.220 244 A C 2.352 179.936 177.584 -0.000 0.000 1.164 244 A CA 2.238 54.257 52.037 -0.031 0.000 0.643 244 A CB -1.688 17.294 19.000 -0.029 0.000 0.806 244 A HN 0.367 nan 8.150 nan 0.000 0.451 245 S N -1.735 113.948 115.700 -0.028 0.000 2.474 245 S HA 0.003 4.470 4.470 -0.004 0.000 0.235 245 S C 1.097 175.877 174.600 0.301 0.000 0.997 245 S CA 0.836 59.067 58.200 0.052 0.000 0.949 245 S CB -0.434 62.745 63.200 -0.035 0.000 0.766 245 S HN 0.332 nan 8.310 nan 0.000 0.517 246 F N 1.576 121.497 119.950 -0.049 0.000 2.695 246 F HA 0.463 4.987 4.527 -0.004 0.000 0.303 246 F C 1.957 177.720 175.800 -0.061 0.000 1.091 246 F CA -0.961 57.006 58.000 -0.055 0.000 1.300 246 F CB -0.231 38.726 39.000 -0.071 0.000 1.071 246 F HN 0.386 nan 8.300 nan 0.000 0.578 247 G N 1.011 109.881 108.800 0.116 0.000 2.143 247 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.249 247 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.249 247 G C 0.215 175.102 174.900 -0.021 0.000 0.981 247 G CA 0.102 45.217 45.100 0.024 0.000 0.665 247 G HN 0.277 nan 8.290 nan 0.000 0.528 248 L N 0.509 121.731 121.223 -0.001 0.000 2.421 248 L HA 0.719 5.056 4.340 -0.004 0.000 0.263 248 L C 1.223 178.044 176.870 -0.081 0.000 1.122 248 L CA -0.501 54.307 54.840 -0.053 0.000 0.804 248 L CB 1.235 43.283 42.059 -0.018 0.000 1.150 248 L HN 0.276 nan 8.230 nan 0.000 0.457 249 A N 1.335 124.077 122.820 -0.130 0.000 2.492 249 A HA 0.408 4.725 4.320 -0.004 0.000 0.254 249 A C 0.943 178.518 177.584 -0.015 0.000 1.091 249 A CA 0.305 52.286 52.037 -0.094 0.000 0.768 249 A CB 0.425 19.347 19.000 -0.131 0.000 1.028 249 A HN 0.924 nan 8.150 nan 0.000 0.498 250 A N 2.215 125.035 122.820 -0.000 0.000 2.169 250 A HA 0.071 4.389 4.320 -0.004 0.000 0.212 250 A C 1.112 178.710 177.584 0.023 0.000 1.153 250 A CA 1.217 53.253 52.037 -0.001 0.000 0.756 250 A CB -0.155 18.840 19.000 -0.009 0.000 0.813 250 A HN 0.821 nan 8.150 nan 0.000 0.471 251 D N -1.118 119.316 120.400 0.057 0.000 2.368 251 D HA 0.086 4.724 4.640 -0.004 0.000 0.218 251 D C 0.136 176.485 176.300 0.083 0.000 1.112 251 D CA 0.010 54.050 54.000 0.066 0.000 0.834 251 D CB -0.002 40.843 40.800 0.075 0.000 0.953 251 D HN 0.223 nan 8.370 nan 0.000 0.505 252 Q N 0.353 120.206 119.800 0.089 0.000 2.359 252 Q HA 0.281 4.619 4.340 -0.004 0.000 0.275 252 Q C -0.603 175.441 176.000 0.073 0.000 1.082 252 Q CA -0.732 55.135 55.803 0.105 0.000 0.849 252 Q CB 1.368 30.203 28.738 0.161 0.000 1.377 252 Q HN 0.015 nan 8.270 nan 0.000 0.452 253 N N 1.512 120.260 118.700 0.080 0.000 2.555 253 N HA 0.113 4.851 4.740 -0.004 0.000 0.244 253 N C 0.108 175.648 175.510 0.051 0.000 1.114 253 N CA 0.144 53.233 53.050 0.065 0.000 0.963 253 N CB 0.044 38.587 38.487 0.094 0.000 1.276 253 N HN 0.529 nan 8.380 nan 0.000 0.510 254 L N 2.695 123.931 121.223 0.020 0.000 2.418 254 L HA 0.096 4.433 4.340 -0.004 0.000 0.218 254 L C 1.325 178.253 176.870 0.096 0.000 1.125 254 L CA 0.331 55.208 54.840 0.061 0.000 0.835 254 L CB 0.005 42.083 42.059 0.033 0.000 0.953 254 L HN 0.526 nan 8.230 nan 0.000 0.454 255 I N -0.815 119.680 120.570 -0.125 0.000 3.265 255 I HA 0.094 4.261 4.170 -0.004 0.000 0.282 255 I C 2.181 178.083 176.117 -0.359 0.000 1.207 255 I CA 0.930 62.027 61.300 -0.339 0.000 1.449 255 I CB -1.098 36.340 38.000 -0.936 0.000 1.121 255 I HN 0.145 nan 8.210 nan 0.000 0.442 256 G N 0.979 109.694 108.800 -0.141 0.000 3.020 256 G HA2 0.078 4.036 3.960 -0.004 0.000 0.217 256 G HA3 0.078 4.036 3.960 -0.004 0.000 0.217 256 G C 0.659 175.606 174.900 0.078 0.000 1.144 256 G CA 0.608 45.779 45.100 0.117 0.000 0.760 256 G HN 0.429 nan 8.290 nan 0.000 0.548 257 T N -2.093 112.503 114.554 0.070 0.000 2.906 257 T HA 0.584 4.931 4.350 -0.004 0.000 0.295 257 T C -0.237 174.546 174.700 0.138 0.000 1.075 257 T CA -0.517 61.639 62.100 0.092 0.000 1.005 257 T CB 1.936 70.865 68.868 0.102 0.000 1.136 257 T HN 0.524 nan 8.240 nan 0.000 0.498 258 c N 0.952 119.638 118.600 0.144 0.000 3.108 258 c HA 0.808 5.375 4.570 -0.004 0.000 0.321 258 c C 1.146 175.366 174.090 0.217 0.000 1.357 258 c CA -0.913 55.543 56.329 0.211 0.000 1.562 258 c CB 0.064 42.684 42.510 0.184 0.000 2.003 258 c HN 0.935 nan 8.230 nan 0.000 0.460 259 F N 1.877 121.887 119.950 0.100 0.000 2.262 259 F HA 0.085 4.610 4.527 -0.004 0.000 0.292 259 F C 2.443 178.277 175.800 0.057 0.000 1.081 259 F CA 2.207 60.242 58.000 0.059 0.000 1.355 259 F CB -0.136 38.874 39.000 0.016 0.000 1.069 259 F HN 0.734 nan 8.300 nan 0.000 0.506 260 S N -0.709 114.980 115.700 -0.018 0.000 2.458 260 S HA 0.258 4.725 4.470 -0.004 0.000 0.223 260 S C 1.890 176.448 174.600 -0.071 0.000 1.019 260 S CA 0.592 58.726 58.200 -0.109 0.000 0.937 260 S CB -0.327 62.945 63.200 0.120 0.000 0.788 260 S HN 0.920 nan 8.310 nan 0.000 0.511 261 G N 1.495 110.291 108.800 -0.008 0.000 2.179 261 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.260 261 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.260 261 G C -0.296 174.621 174.900 0.028 0.000 0.977 261 G CA 0.057 45.158 45.100 0.002 0.000 0.641 261 G HN 0.550 nan 8.290 nan 0.000 0.533 262 N N 1.146 119.880 118.700 0.056 0.000 2.415 262 N HA 0.478 5.215 4.740 -0.004 0.000 0.250 262 N C 1.186 176.736 175.510 0.067 0.000 1.127 262 N CA 1.156 54.247 53.050 0.069 0.000 0.945 262 N CB 0.575 39.123 38.487 0.102 0.000 1.196 262 N HN 1.369 nan 8.380 nan 0.000 0.499 263 G N 1.005 109.832 108.800 0.046 0.000 2.176 263 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.252 263 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.252 263 G C 0.117 175.031 174.900 0.023 0.000 1.024 263 G CA 0.186 45.307 45.100 0.034 0.000 0.755 263 G HN 0.951 nan 8.290 nan 0.000 0.507 264 c N -3.248 115.367 118.600 0.026 0.000 3.275 264 c HA 0.683 5.251 4.570 -0.004 0.000 0.345 264 c C 0.211 174.317 174.090 0.026 0.000 1.257 264 c CA -0.310 56.031 56.329 0.020 0.000 1.203 264 c CB 1.052 43.573 42.510 0.019 0.000 1.492 264 c HN 0.752 nan 8.230 nan 0.000 0.484 265 T N 2.844 117.416 114.554 0.029 0.000 2.751 265 T HA 0.202 4.549 4.350 -0.004 0.000 0.290 265 T C 0.327 175.050 174.700 0.038 0.000 0.919 265 T CA 0.402 62.520 62.100 0.031 0.000 1.136 265 T CB 0.067 68.958 68.868 0.039 0.000 0.875 265 T HN 0.786 nan 8.240 nan 0.000 0.532 266 M N 4.577 124.190 119.600 0.021 0.000 2.284 266 M HA -0.019 4.459 4.480 -0.004 0.000 0.351 266 M C 0.825 177.143 176.300 0.031 0.000 1.443 266 M CA 0.004 55.310 55.300 0.010 0.000 1.031 266 M CB 0.206 32.786 32.600 -0.034 0.000 1.893 266 M HN 0.528 nan 8.290 nan 0.000 0.456 267 N N 6.548 125.288 118.700 0.067 0.000 2.411 267 N HA 0.020 4.757 4.740 -0.004 0.000 0.261 267 N C -2.106 173.426 175.510 0.038 0.000 1.248 267 N CA -0.921 52.181 53.050 0.086 0.000 0.885 267 N CB 1.008 39.597 38.487 0.170 0.000 1.062 267 N HN 0.436 nan 8.380 nan 0.000 0.471 268 P HA -0.036 nan 4.420 nan 0.000 0.218 268 P C 0.919 178.175 177.300 -0.073 0.000 1.149 268 P CA 1.230 64.315 63.100 -0.025 0.000 0.817 268 P CB 0.304 31.991 31.700 -0.022 0.000 0.785 269 T N -2.141 112.335 114.554 -0.131 0.000 2.901 269 T HA -0.019 4.329 4.350 -0.004 0.000 0.252 269 T C 1.003 175.471 174.700 -0.387 0.000 1.035 269 T CA 1.270 63.156 62.100 -0.358 0.000 1.142 269 T CB -0.526 67.966 68.868 -0.626 0.000 0.869 269 T HN 0.063 nan 8.240 nan 0.000 0.442 270 Y N 0.922 121.270 120.300 0.080 0.000 2.481 270 Y HA 0.490 5.037 4.550 -0.004 0.000 0.247 270 Y C 1.587 177.617 175.900 0.216 0.000 1.151 270 Y CA -1.337 56.838 58.100 0.125 0.000 1.238 270 Y CB -0.226 38.297 38.460 0.105 0.000 1.179 270 Y HN 0.157 nan 8.280 nan 0.000 0.524 271 G N 0.480 109.402 108.800 0.203 0.000 2.667 271 G HA2 0.055 4.013 3.960 -0.004 0.000 0.250 271 G HA3 0.055 4.013 3.960 -0.004 0.000 0.250 271 G C 1.257 176.001 174.900 -0.259 0.000 1.212 271 G CA -0.326 44.768 45.100 -0.010 0.000 0.874 271 G HN 0.402 nan 8.290 nan 0.000 0.561 272 I N -0.312 119.745 120.570 -0.854 0.000 2.335 272 I HA -0.145 4.022 4.170 -0.004 0.000 0.251 272 I C 0.931 176.938 176.117 -0.183 0.000 1.129 272 I CA 1.076 61.947 61.300 -0.715 0.000 1.402 272 I CB 0.160 37.679 38.000 -0.801 0.000 1.069 272 I HN 0.323 nan 8.210 nan 0.000 0.424 273 N N 1.073 119.683 118.700 -0.150 0.000 2.328 273 N HA 0.197 4.934 4.740 -0.004 0.000 0.247 273 N C 0.245 175.733 175.510 -0.036 0.000 1.165 273 N CA 0.196 53.212 53.050 -0.057 0.000 0.873 273 N CB 0.788 39.244 38.487 -0.051 0.000 1.125 273 N HN 0.314 nan 8.380 nan 0.000 0.513 274 G N 0.102 108.884 108.800 -0.031 0.000 2.563 274 G HA2 0.185 4.143 3.960 -0.004 0.000 0.283 274 G HA3 0.185 4.143 3.960 -0.004 0.000 0.283 274 G C 1.048 175.936 174.900 -0.019 0.000 1.309 274 G CA -0.196 44.887 45.100 -0.028 0.000 1.022 274 G HN 0.166 nan 8.290 nan 0.000 0.501 275 S N -1.333 114.337 115.700 -0.050 0.000 2.383 275 S HA -0.096 4.371 4.470 -0.004 0.000 0.229 275 S C 1.250 175.839 174.600 -0.019 0.000 1.030 275 S CA 1.588 59.763 58.200 -0.042 0.000 1.002 275 S CB -0.394 62.764 63.200 -0.069 0.000 0.829 275 S HN 1.147 nan 8.310 nan 0.000 0.467 276 T N -0.791 113.741 114.554 -0.036 0.000 3.305 276 T HA 0.532 4.880 4.350 -0.004 0.000 0.348 276 T C -3.398 171.398 174.700 0.160 0.000 1.394 276 T CA -2.063 60.068 62.100 0.051 0.000 1.549 276 T CB 1.219 70.110 68.868 0.038 0.000 0.962 276 T HN -0.051 nan 8.240 nan 0.000 0.609 277 P HA 0.378 nan 4.420 nan 0.000 0.264 277 P C -0.503 176.994 177.300 0.328 0.000 1.193 277 P CA 0.390 63.676 63.100 0.311 0.000 0.763 277 P CB 0.386 32.285 31.700 0.332 0.000 0.810 278 D N 4.213 124.789 120.400 0.293 0.000 2.333 278 D HA 0.146 4.784 4.640 -0.004 0.000 0.225 278 D C -2.274 173.883 176.300 -0.238 0.000 1.345 278 D CA -1.801 52.216 54.000 0.028 0.000 0.971 278 D CB 1.193 42.066 40.800 0.121 0.000 1.451 278 D HN -0.001 nan 8.370 nan 0.000 0.561 279 P HA -0.085 nan 4.420 nan 0.000 0.221 279 P C 1.313 178.350 177.300 -0.439 0.000 1.150 279 P CA 0.813 63.306 63.100 -1.012 0.000 0.800 279 P CB 0.153 30.948 31.700 -1.507 0.000 0.787 280 S N -0.906 114.605 115.700 -0.315 0.000 2.507 280 S HA -0.039 4.429 4.470 -0.004 0.000 0.235 280 S C 1.676 176.155 174.600 -0.202 0.000 0.988 280 S CA 0.684 58.764 58.200 -0.201 0.000 0.944 280 S CB -0.786 62.334 63.200 -0.133 0.000 0.762 280 S HN 0.021 nan 8.310 nan 0.000 0.526 281 K N 0.535 120.770 120.400 -0.274 0.000 2.426 281 K HA 0.367 4.685 4.320 -0.004 0.000 0.193 281 K C 0.281 176.731 176.600 -0.250 0.000 1.028 281 K CA 0.128 56.185 56.287 -0.383 0.000 1.047 281 K CB -0.027 31.925 32.500 -0.913 0.000 0.821 281 K HN 0.469 nan 8.250 nan 0.000 0.513 282 L N -0.015 121.121 121.223 -0.146 0.000 2.303 282 L HA 0.263 4.601 4.340 -0.004 0.000 0.266 282 L C 0.964 177.797 176.870 -0.061 0.000 1.011 282 L CA -0.583 54.235 54.840 -0.037 0.000 0.818 282 L CB 1.236 43.341 42.059 0.076 0.000 1.326 282 L HN -0.197 nan 8.230 nan 0.000 0.435 283 L N 0.542 121.738 121.223 -0.045 0.000 2.200 283 L HA 0.312 4.650 4.340 -0.004 0.000 0.200 283 L C 0.036 176.722 176.870 -0.308 0.000 1.072 283 L CA 1.309 56.024 54.840 -0.209 0.000 0.787 283 L CB 0.144 42.034 42.059 -0.282 0.000 0.957 283 L HN 0.253 nan 8.230 nan 0.000 0.459 284 F N 0.084 120.063 119.950 0.048 0.000 2.415 284 F HA 0.274 4.799 4.527 -0.004 0.000 0.348 284 F C 1.368 177.246 175.800 0.130 0.000 1.119 284 F CA -0.380 57.666 58.000 0.078 0.000 1.069 284 F CB 0.878 39.910 39.000 0.054 0.000 1.124 284 F HN -0.021 nan 8.300 nan 0.000 0.472 285 N N 1.126 120.024 118.700 0.330 0.000 2.207 285 N HA -0.096 4.641 4.740 -0.004 0.000 0.182 285 N C 0.173 175.884 175.510 0.335 0.000 1.020 285 N CA 1.558 54.809 53.050 0.335 0.000 0.858 285 N CB 0.124 38.784 38.487 0.288 0.000 0.991 285 N HN 0.734 nan 8.380 nan 0.000 0.427 286 D N -2.195 118.400 120.400 0.326 0.000 3.035 286 D HA 0.168 4.805 4.640 -0.004 0.000 0.248 286 D C 0.852 177.248 176.300 0.159 0.000 1.260 286 D CA 0.205 54.347 54.000 0.237 0.000 1.058 286 D CB -0.299 40.655 40.800 0.257 0.000 1.262 286 D HN 0.015 nan 8.370 nan 0.000 0.633 287 S N -1.081 114.660 115.700 0.069 0.000 2.453 287 S HA -0.012 4.456 4.470 -0.004 0.000 0.231 287 S C 1.643 176.135 174.600 -0.180 0.000 1.005 287 S CA 1.367 59.526 58.200 -0.068 0.000 0.949 287 S CB -0.660 62.510 63.200 -0.051 0.000 0.774 287 S HN 0.802 nan 8.310 nan 0.000 0.510 288 V N -3.069 116.785 119.914 -0.100 0.000 3.332 288 V HA 0.457 4.574 4.120 -0.004 0.000 0.263 288 V C -0.090 176.056 176.094 0.086 0.000 1.562 288 V CA -0.591 61.642 62.300 -0.112 0.000 1.040 288 V CB -0.932 30.708 31.823 -0.305 0.000 0.857 288 V HN 0.399 nan 8.190 nan 0.000 0.428 289 H N 3.135 122.394 119.070 0.316 0.000 2.527 289 H HA 0.609 5.163 4.556 -0.004 0.000 0.321 289 H C -2.744 172.722 175.328 0.230 0.000 1.087 289 H CA -1.885 54.312 56.048 0.249 0.000 1.337 289 H CB 1.292 31.175 29.762 0.202 0.000 1.440 289 H HN 0.252 nan 8.280 nan 0.000 0.490 290 P HA -0.012 nan 4.420 nan 0.000 0.271 290 P C 0.178 177.506 177.300 0.047 0.000 1.218 290 P CA -0.427 62.671 63.100 -0.002 0.000 0.780 290 P CB 0.725 32.418 31.700 -0.011 0.000 0.901 291 T N -0.062 114.478 114.554 -0.024 0.000 2.698 291 T HA 0.054 4.401 4.350 -0.004 0.000 0.295 291 T C 1.321 175.991 174.700 -0.050 0.000 1.007 291 T CA -0.320 61.755 62.100 -0.042 0.000 0.980 291 T CB -0.011 68.786 68.868 -0.119 0.000 1.036 291 T HN 0.216 nan 8.240 nan 0.000 0.526 292 I N 0.830 121.358 120.570 -0.070 0.000 2.236 292 I HA -0.176 3.991 4.170 -0.004 0.000 0.249 292 I C 2.390 178.470 176.117 -0.062 0.000 1.102 292 I CA 2.051 63.320 61.300 -0.051 0.000 1.365 292 I CB -1.058 36.908 38.000 -0.056 0.000 1.051 292 I HN 0.880 nan 8.210 nan 0.000 0.420 293 T N 0.275 114.775 114.554 -0.090 0.000 2.746 293 T HA -0.077 4.270 4.350 -0.004 0.000 0.267 293 T C 1.773 176.417 174.700 -0.095 0.000 1.039 293 T CA 1.374 63.421 62.100 -0.089 0.000 1.142 293 T CB -0.989 67.822 68.868 -0.096 0.000 0.866 293 T HN 0.606 nan 8.240 nan 0.000 0.444 294 G N 1.152 109.891 108.800 -0.101 0.000 2.422 294 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.218 294 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.218 294 G C 1.608 176.482 174.900 -0.043 0.000 1.146 294 G CA 0.438 45.475 45.100 -0.105 0.000 0.769 294 G HN 0.367 nan 8.290 nan 0.000 0.547 295 Q N 0.373 120.168 119.800 -0.008 0.000 2.079 295 Q HA -0.017 4.320 4.340 -0.004 0.000 0.200 295 Q C 2.744 178.752 176.000 0.014 0.000 0.974 295 Q CA 0.847 56.673 55.803 0.038 0.000 0.840 295 Q CB -0.331 28.428 28.738 0.035 0.000 0.898 295 Q HN 0.491 nan 8.270 nan 0.000 0.430 296 R N 0.027 120.510 120.500 -0.027 0.000 2.075 296 R HA -0.082 4.256 4.340 -0.004 0.000 0.232 296 R C 2.307 178.570 176.300 -0.062 0.000 1.126 296 R CA 0.669 56.744 56.100 -0.041 0.000 0.963 296 R CB -0.348 29.919 30.300 -0.054 0.000 0.858 296 R HN 0.132 nan 8.270 nan 0.000 0.435 297 L N 1.005 122.157 121.223 -0.119 0.000 2.012 297 L HA -0.176 4.162 4.340 -0.004 0.000 0.210 297 L C 2.262 179.068 176.870 -0.107 0.000 1.073 297 L CA 1.616 56.327 54.840 -0.214 0.000 0.748 297 L CB -0.600 41.251 42.059 -0.347 0.000 0.891 297 L HN 0.140 nan 8.230 nan 0.000 0.431 298 I N -1.229 119.320 120.570 -0.035 0.000 2.202 298 I HA -0.287 3.880 4.170 -0.004 0.000 0.242 298 I C 2.544 178.727 176.117 0.111 0.000 1.091 298 I CA 1.143 62.471 61.300 0.048 0.000 1.368 298 I CB -0.484 37.605 38.000 0.147 0.000 1.058 298 I HN 0.217 nan 8.210 nan 0.000 0.410 299 A N 0.551 123.425 122.820 0.090 0.000 1.877 299 A HA -0.248 4.069 4.320 -0.004 0.000 0.216 299 A C 1.974 179.612 177.584 0.090 0.000 1.186 299 A CA 2.180 54.268 52.037 0.085 0.000 0.620 299 A CB -0.662 18.358 19.000 0.033 0.000 0.822 299 A HN 0.338 nan 8.150 nan 0.000 0.443 300 D N -1.763 118.671 120.400 0.057 0.000 2.144 300 D HA -0.141 4.496 4.640 -0.004 0.000 0.199 300 D C 1.677 178.058 176.300 0.134 0.000 0.984 300 D CA 1.388 55.441 54.000 0.089 0.000 0.834 300 D CB -0.432 40.393 40.800 0.041 0.000 0.955 300 D HN 0.548 nan 8.370 nan 0.000 0.465 301 Y N 1.879 122.134 120.300 -0.074 0.000 2.145 301 Y HA -0.197 4.350 4.550 -0.004 0.000 0.286 301 Y C 2.255 178.073 175.900 -0.137 0.000 1.145 301 Y CA 1.524 59.543 58.100 -0.135 0.000 1.148 301 Y CB -0.710 37.642 38.460 -0.180 0.000 0.981 301 Y HN -0.099 nan 8.280 nan 0.000 0.507 302 T N -0.251 114.208 114.554 -0.159 0.000 2.777 302 T HA -0.226 4.121 4.350 -0.004 0.000 0.266 302 T C 1.591 176.195 174.700 -0.160 0.000 1.040 302 T CA 1.654 63.608 62.100 -0.244 0.000 1.141 302 T CB -0.815 68.038 68.868 -0.025 0.000 0.868 302 T HN 0.506 nan 8.240 nan 0.000 0.444 303 Y N 2.464 122.678 120.300 -0.142 0.000 2.224 303 Y HA -0.189 4.358 4.550 -0.004 0.000 0.289 303 Y C 2.766 178.517 175.900 -0.249 0.000 1.146 303 Y CA 1.452 59.478 58.100 -0.125 0.000 1.182 303 Y CB -0.395 38.056 38.460 -0.016 0.000 0.983 303 Y HN 0.296 nan 8.280 nan 0.000 0.524 304 S N -0.660 114.918 115.700 -0.204 0.000 2.382 304 S HA -0.166 4.301 4.470 -0.004 0.000 0.228 304 S C 1.862 176.133 174.600 -0.549 0.000 1.027 304 S CA 1.362 59.255 58.200 -0.511 0.000 0.991 304 S CB -0.774 61.798 63.200 -1.046 0.000 0.823 304 S HN 0.312 nan 8.310 nan 0.000 0.469 305 L N 0.643 121.587 121.223 -0.466 0.000 2.072 305 L HA 0.221 4.559 4.340 -0.004 0.000 0.205 305 L C 2.377 179.027 176.870 -0.367 0.000 1.079 305 L CA 1.117 55.738 54.840 -0.365 0.000 0.752 305 L CB -1.393 40.428 42.059 -0.397 0.000 0.906 305 L HN 0.310 nan 8.230 nan 0.000 0.436 306 L N -0.675 120.262 121.223 -0.477 0.000 2.201 306 L HA -0.091 4.247 4.340 -0.004 0.000 0.212 306 L C 2.528 178.695 176.870 -1.171 0.000 1.105 306 L CA 1.721 56.233 54.840 -0.547 0.000 0.775 306 L CB -1.060 40.768 42.059 -0.385 0.000 0.913 306 L HN 0.461 nan 8.230 nan 0.000 0.440 307 S N -1.996 112.870 115.700 -1.390 0.000 2.524 307 S HA 0.132 4.599 4.470 -0.004 0.000 0.216 307 S C 2.063 176.089 174.600 -0.956 0.000 0.987 307 S CA 0.354 57.371 58.200 -1.971 0.000 0.909 307 S CB -0.089 62.316 63.200 -1.324 0.000 0.781 307 S HN 0.234 nan 8.310 nan 0.000 0.521 308 A N 3.733 126.205 122.820 -0.581 0.000 1.865 308 A HA 0.043 4.360 4.320 -0.004 0.000 0.217 308 A C 0.329 177.787 177.584 -0.211 0.000 1.191 308 A CA 1.576 53.475 52.037 -0.229 0.000 0.623 308 A CB -1.767 17.196 19.000 -0.061 0.000 0.826 308 A HN 0.606 nan 8.150 nan 0.000 0.444 309 P HA -0.147 nan 4.420 nan 0.000 0.222 309 P C 0.716 178.008 177.300 -0.013 0.000 1.147 309 P CA 0.832 63.852 63.100 -0.133 0.000 0.790 309 P CB -0.291 31.369 31.700 -0.068 0.000 0.780 310 W N 0.857 122.098 121.300 -0.099 0.000 2.525 310 W HA 0.049 4.706 4.660 -0.004 0.000 0.259 310 W C 1.800 178.253 176.519 -0.110 0.000 1.253 310 W CA 0.370 57.653 57.345 -0.104 0.000 1.262 310 W CB -1.167 28.235 29.460 -0.097 0.000 1.122 310 W HN 0.226 nan 8.180 nan 0.000 0.607 311 E N -0.906 119.324 120.200 0.050 0.000 2.228 311 E HA -0.014 4.334 4.350 -0.004 0.000 0.197 311 E C 2.230 178.633 176.600 -0.328 0.000 0.909 311 E CA -0.146 56.212 56.400 -0.070 0.000 0.911 311 E CB -0.391 29.362 29.700 0.089 0.000 0.887 311 E HN -0.148 nan 8.360 nan 0.000 0.481 312 L N 1.297 122.309 121.223 -0.352 0.000 2.189 312 L HA -0.149 4.188 4.340 -0.004 0.000 0.214 312 L C 2.310 178.942 176.870 -0.397 0.000 1.097 312 L CA 1.682 56.223 54.840 -0.498 0.000 0.764 312 L CB -0.915 40.760 42.059 -0.639 0.000 0.900 312 L HN 0.253 nan 8.230 nan 0.000 0.436 313 T N -1.152 113.240 114.554 -0.269 0.000 3.113 313 T HA -0.015 4.333 4.350 -0.004 0.000 0.256 313 T C 1.658 176.183 174.700 -0.292 0.000 1.131 313 T CA 0.014 61.994 62.100 -0.201 0.000 1.074 313 T CB 0.191 69.020 68.868 -0.065 0.000 0.944 313 T HN 0.005 nan 8.240 nan 0.000 0.516 314 L N 0.948 121.940 121.223 -0.386 0.000 2.395 314 L HA 0.307 4.644 4.340 -0.004 0.000 0.218 314 L C 2.015 178.610 176.870 -0.459 0.000 1.130 314 L CA 0.913 55.423 54.840 -0.550 0.000 0.826 314 L CB -0.677 41.068 42.059 -0.523 0.000 0.941 314 L HN 0.349 nan 8.230 nan 0.000 0.451 315 L N -0.006 120.970 121.223 -0.412 0.000 2.017 315 L HA -0.163 4.174 4.340 -0.004 0.000 0.208 315 L C -0.130 176.636 176.870 -0.174 0.000 1.073 315 L CA 1.339 55.972 54.840 -0.346 0.000 0.745 315 L CB -1.890 39.804 42.059 -0.607 0.000 0.894 315 L HN 0.228 nan 8.230 nan 0.000 0.432 316 P HA -0.139 nan 4.420 nan 0.000 0.220 316 P C 1.209 178.486 177.300 -0.039 0.000 1.148 316 P CA 1.049 64.093 63.100 -0.092 0.000 0.803 316 P CB 0.024 31.680 31.700 -0.073 0.000 0.782 317 E N -1.101 118.992 120.200 -0.178 0.000 2.274 317 E HA -0.041 4.306 4.350 -0.004 0.000 0.194 317 E C 1.901 178.508 176.600 0.013 0.000 0.996 317 E CA 0.881 57.175 56.400 -0.176 0.000 0.840 317 E CB -0.677 28.606 29.700 -0.696 0.000 0.772 317 E HN 0.392 nan 8.360 nan 0.000 0.491 318 M N 0.123 119.716 119.600 -0.011 0.000 2.132 318 M HA -0.074 4.404 4.480 -0.004 0.000 0.263 318 M C 2.328 178.620 176.300 -0.013 0.000 1.065 318 M CA 1.612 56.947 55.300 0.058 0.000 1.122 318 M CB -0.253 32.393 32.600 0.076 0.000 1.365 318 M HN 0.073 nan 8.290 nan 0.000 0.411 319 A N -0.563 122.223 122.820 -0.056 0.000 1.897 319 A HA -0.153 4.164 4.320 -0.004 0.000 0.215 319 A C 1.877 179.338 177.584 -0.204 0.000 1.181 319 A CA 1.261 53.195 52.037 -0.171 0.000 0.620 319 A CB -1.024 17.858 19.000 -0.197 0.000 0.821 319 A HN 0.441 nan 8.150 nan 0.000 0.443 320 H N -0.348 118.654 119.070 -0.114 0.000 2.387 320 H HA -0.138 4.416 4.556 -0.004 0.000 0.299 320 H C 2.448 177.714 175.328 -0.104 0.000 1.099 320 H CA 1.470 57.449 56.048 -0.115 0.000 1.315 320 H CB -0.611 29.090 29.762 -0.101 0.000 1.380 320 H HN 0.509 nan 8.280 nan 0.000 0.513 321 G N 0.421 109.249 108.800 0.047 0.000 2.459 321 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.217 321 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.217 321 G C 1.967 176.817 174.900 -0.084 0.000 1.183 321 G CA 2.078 47.173 45.100 -0.008 0.000 0.776 321 G HN 0.541 nan 8.290 nan 0.000 0.552 322 T N -0.286 114.181 114.554 -0.145 0.000 2.867 322 T HA -0.049 4.299 4.350 -0.004 0.000 0.268 322 T C 2.327 176.759 174.700 -0.447 0.000 1.057 322 T CA 1.274 63.194 62.100 -0.299 0.000 1.136 322 T CB -0.253 68.403 68.868 -0.354 0.000 0.874 322 T HN 0.126 nan 8.240 nan 0.000 0.466 323 L N 1.186 122.231 121.223 -0.298 0.000 2.046 323 L HA 0.108 4.446 4.340 -0.004 0.000 0.208 323 L C 2.667 179.481 176.870 -0.093 0.000 1.077 323 L CA 1.604 56.320 54.840 -0.207 0.000 0.747 323 L CB -0.580 41.380 42.059 -0.165 0.000 0.896 323 L HN 0.098 nan 8.230 nan 0.000 0.432 324 R N -0.655 119.790 120.500 -0.091 0.000 2.115 324 R HA 0.020 4.357 4.340 -0.004 0.000 0.226 324 R C 2.239 178.485 176.300 -0.089 0.000 1.100 324 R CA 1.000 57.055 56.100 -0.076 0.000 0.980 324 R CB -0.466 29.794 30.300 -0.067 0.000 0.875 324 R HN 0.543 nan 8.270 nan 0.000 0.445 325 A N 0.279 123.048 122.820 -0.086 0.000 1.897 325 A HA -0.187 4.131 4.320 -0.004 0.000 0.215 325 A C 1.901 179.497 177.584 0.020 0.000 1.181 325 A CA 0.898 52.922 52.037 -0.020 0.000 0.620 325 A CB -0.648 18.394 19.000 0.071 0.000 0.821 325 A HN 0.415 nan 8.150 nan 0.000 0.443 326 Y N 0.890 121.047 120.300 -0.237 0.000 2.114 326 Y HA -0.304 4.243 4.550 -0.004 0.000 0.282 326 Y C 2.432 178.239 175.900 -0.155 0.000 1.165 326 Y CA 2.447 60.434 58.100 -0.187 0.000 1.148 326 Y CB -0.567 37.630 38.460 -0.438 0.000 0.972 326 Y HN 0.449 nan 8.280 nan 0.000 0.504 327 Q N -0.331 119.315 119.800 -0.257 0.000 2.119 327 Q HA -0.189 4.149 4.340 -0.004 0.000 0.201 327 Q C 1.811 177.574 176.000 -0.395 0.000 0.972 327 Q CA 1.494 57.067 55.803 -0.383 0.000 0.847 327 Q CB -0.145 28.472 28.738 -0.202 0.000 0.903 327 Q HN 0.494 nan 8.270 nan 0.000 0.433 328 D N 0.594 120.844 120.400 -0.250 0.000 2.144 328 D HA -0.176 4.462 4.640 -0.004 0.000 0.199 328 D C 1.543 177.686 176.300 -0.261 0.000 0.984 328 D CA 1.040 54.911 54.000 -0.216 0.000 0.834 328 D CB -0.043 40.680 40.800 -0.128 0.000 0.955 328 D HN 0.303 nan 8.370 nan 0.000 0.465 329 E N -0.446 119.604 120.200 -0.250 0.000 2.106 329 E HA -0.122 4.225 4.350 -0.004 0.000 0.192 329 E C 1.927 178.247 176.600 -0.466 0.000 0.984 329 E CA 0.329 56.582 56.400 -0.245 0.000 0.806 329 E CB 0.105 29.750 29.700 -0.092 0.000 0.750 329 E HN 0.049 nan 8.360 nan 0.000 0.458 330 L N 0.627 121.450 121.223 -0.667 0.000 2.056 330 L HA -0.101 4.236 4.340 -0.004 0.000 0.207 330 L C 2.455 178.526 176.870 -1.330 0.000 1.078 330 L CA 1.506 55.723 54.840 -1.037 0.000 0.749 330 L CB -0.504 40.833 42.059 -1.203 0.000 0.901 330 L HN 0.029 nan 8.230 nan 0.000 0.433 331 R N -1.314 118.576 120.500 -1.017 0.000 2.096 331 R HA -0.146 4.192 4.340 -0.004 0.000 0.235 331 R C 2.516 178.547 176.300 -0.449 0.000 1.127 331 R CA 1.363 57.026 56.100 -0.728 0.000 0.968 331 R CB -0.177 29.878 30.300 -0.407 0.000 0.861 331 R HN 0.254 nan 8.270 nan 0.000 0.440 332 S N 0.079 115.557 115.700 -0.370 0.000 2.370 332 S HA -0.143 4.324 4.470 -0.004 0.000 0.226 332 S C 1.806 176.203 174.600 -0.339 0.000 1.033 332 S CA 1.121 59.205 58.200 -0.194 0.000 1.011 332 S CB -0.014 63.136 63.200 -0.083 0.000 0.852 332 S HN 0.365 nan 8.310 nan 0.000 0.457 333 Q N -0.354 119.159 119.800 -0.478 0.000 2.079 333 Q HA -0.092 4.246 4.340 -0.004 0.000 0.200 333 Q C 1.948 177.818 176.000 -0.216 0.000 0.974 333 Q CA 1.072 56.602 55.803 -0.454 0.000 0.840 333 Q CB -0.410 27.859 28.738 -0.783 0.000 0.898 333 Q HN 0.677 nan 8.270 nan 0.000 0.430 334 W N 1.648 122.731 121.300 -0.361 0.000 2.363 334 W HA -0.075 4.583 4.660 -0.004 0.000 0.296 334 W C 2.063 178.382 176.519 -0.333 0.000 1.212 334 W CA 0.554 57.723 57.345 -0.294 0.000 1.260 334 W CB -0.771 28.486 29.460 -0.338 0.000 1.131 334 W HN 0.327 nan 8.180 nan 0.000 0.530 335 Q N -0.422 119.223 119.800 -0.258 0.000 2.172 335 Q HA -0.046 4.292 4.340 -0.004 0.000 0.200 335 Q C 2.371 177.983 176.000 -0.646 0.000 0.964 335 Q CA 1.515 57.055 55.803 -0.438 0.000 0.855 335 Q CB -0.444 27.975 28.738 -0.532 0.000 0.918 335 Q HN 0.178 nan 8.270 nan 0.000 0.444 336 A N 1.211 123.549 122.820 -0.804 0.000 2.015 336 A HA -0.165 4.153 4.320 -0.004 0.000 0.219 336 A C 1.352 178.846 177.584 -0.149 0.000 1.163 336 A CA 1.483 53.214 52.037 -0.511 0.000 0.646 336 A CB -0.085 18.740 19.000 -0.291 0.000 0.806 336 A HN 0.188 nan 8.150 nan 0.000 0.448 337 D N -2.123 118.248 120.400 -0.048 0.000 2.333 337 D HA -0.010 4.628 4.640 -0.004 0.000 0.208 337 D C 0.304 176.674 176.300 0.115 0.000 0.984 337 D CA -0.085 53.997 54.000 0.137 0.000 0.873 337 D CB -0.245 40.731 40.800 0.295 0.000 0.935 337 D HN 0.564 nan 8.370 nan 0.000 0.521 338 W N 3.375 124.524 121.300 -0.251 0.000 2.385 338 W HA -0.034 4.624 4.660 -0.004 0.000 0.336 338 W C 0.439 176.636 176.519 -0.537 0.000 1.351 338 W CA 0.008 57.084 57.345 -0.448 0.000 1.295 338 W CB 0.007 29.162 29.460 -0.508 0.000 1.239 338 W HN -0.000 nan 8.180 nan 0.000 0.565 339 E N 3.398 123.253 120.200 -0.575 0.000 2.297 339 E HA -0.356 3.992 4.350 -0.004 0.000 0.228 339 E C -0.083 176.227 176.600 -0.482 0.000 1.213 339 E CA 1.367 57.315 56.400 -0.754 0.000 0.712 339 E CB -1.656 27.285 29.700 -1.265 0.000 1.202 339 E HN 0.576 nan 8.360 nan 0.000 0.376 340 N N -0.729 117.765 118.700 -0.344 0.000 2.815 340 N HA -0.014 4.724 4.740 -0.004 0.000 0.212 340 N C -1.044 174.520 175.510 0.090 0.000 1.306 340 N CA -0.269 52.709 53.050 -0.120 0.000 1.744 340 N CB 0.019 38.447 38.487 -0.098 0.000 1.438 340 N HN 0.067 nan 8.380 nan 0.000 0.632 341 W N 2.245 123.499 121.300 -0.077 0.000 2.129 341 W HA 0.324 4.982 4.660 -0.004 0.000 0.349 341 W C 1.346 177.846 176.519 -0.033 0.000 1.279 341 W CA -0.427 56.889 57.345 -0.048 0.000 1.306 341 W CB 0.203 29.622 29.460 -0.069 0.000 1.140 341 W HN 0.202 nan 8.180 nan 0.000 0.613 342 Q N 1.730 121.651 119.800 0.202 0.000 2.631 342 Q HA 0.046 4.383 4.340 -0.004 0.000 0.210 342 Q C 0.080 176.121 176.000 0.069 0.000 1.094 342 Q CA 0.015 55.880 55.803 0.104 0.000 1.055 342 Q CB -0.074 28.706 28.738 0.070 0.000 1.261 342 Q HN 0.351 nan 8.270 nan 0.000 0.615 343 N N -0.380 118.341 118.700 0.034 0.000 2.415 343 N HA 0.099 4.836 4.740 -0.004 0.000 0.248 343 N C -0.160 175.314 175.510 -0.060 0.000 1.271 343 N CA -0.222 52.833 53.050 0.008 0.000 0.913 343 N CB 0.374 38.870 38.487 0.016 0.000 1.129 343 N HN 0.382 nan 8.380 nan 0.000 0.444 344 V N 0.588 120.468 119.914 -0.056 0.000 3.032 344 V HA 0.053 4.171 4.120 -0.004 0.000 0.307 344 V C 1.708 177.697 176.094 -0.174 0.000 1.097 344 V CA 0.936 63.161 62.300 -0.124 0.000 1.191 344 V CB 0.215 32.010 31.823 -0.048 0.000 0.964 344 V HN 0.993 nan 8.190 nan 0.000 0.494 345 G N 2.910 111.515 108.800 -0.326 0.000 2.256 345 G HA2 -0.303 3.654 3.960 -0.004 0.000 0.279 345 G HA3 -0.303 3.654 3.960 -0.004 0.000 0.279 345 G C 0.244 174.974 174.900 -0.283 0.000 0.998 345 G CA 0.988 45.877 45.100 -0.353 0.000 0.720 345 G HN 1.171 nan 8.290 nan 0.000 0.521 346 Q N -1.082 118.498 119.800 -0.367 0.000 2.327 346 Q HA 0.511 4.849 4.340 -0.004 0.000 0.270 346 Q C -0.180 175.784 176.000 -0.061 0.000 1.022 346 Q CA -1.512 54.251 55.803 -0.067 0.000 0.773 346 Q CB 1.015 29.796 28.738 0.071 0.000 1.251 346 Q HN 0.320 nan 8.270 nan 0.000 0.457 347 W N 2.655 124.066 121.300 0.185 0.000 2.551 347 W HA -0.076 4.581 4.660 -0.005 0.000 0.336 347 W C 0.655 177.308 176.519 0.222 0.000 1.158 347 W CA 0.119 57.559 57.345 0.159 0.000 1.258 347 W CB 0.273 29.760 29.460 0.046 0.000 1.157 347 W HN 0.594 nan 8.180 nan 0.000 0.562 348 R N 3.381 124.145 120.500 0.440 0.000 2.360 348 R HA 0.618 4.956 4.340 -0.004 0.000 0.318 348 R C 0.032 176.596 176.300 0.440 0.000 0.950 348 R CA -0.495 55.854 56.100 0.414 0.000 0.837 348 R CB 0.669 31.141 30.300 0.287 0.000 1.165 348 R HN 0.602 nan 8.270 nan 0.000 0.458 349 G N 3.225 112.301 108.800 0.460 0.000 2.454 349 G HA2 0.666 4.624 3.960 -0.004 0.000 0.329 349 G HA3 0.666 4.624 3.960 -0.004 0.000 0.329 349 G C -1.276 173.836 174.900 0.354 0.000 1.177 349 G CA -0.774 44.506 45.100 0.299 0.000 0.951 349 G HN 0.549 nan 8.290 nan 0.000 0.485 350 F N -0.973 119.088 119.950 0.185 0.000 2.619 350 F HA 0.789 5.313 4.527 -0.004 0.000 0.308 350 F C -1.132 174.739 175.800 0.118 0.000 1.097 350 F CA -1.468 56.615 58.000 0.138 0.000 0.953 350 F CB 1.677 40.738 39.000 0.103 0.000 1.287 350 F HN 0.438 nan 8.300 nan 0.000 0.446 351 V N 1.302 121.377 119.914 0.267 0.000 2.876 351 V HA 1.020 5.138 4.120 -0.004 0.000 0.312 351 V C -0.080 176.154 176.094 0.234 0.000 1.085 351 V CA -0.174 62.243 62.300 0.195 0.000 0.945 351 V CB 1.472 33.361 31.823 0.109 0.000 1.017 351 V HN 1.414 nan 8.190 nan 0.000 0.428 352 G N 0.868 109.793 108.800 0.209 0.000 2.495 352 G HA2 0.796 4.753 3.960 -0.004 0.000 0.294 352 G HA3 0.796 4.753 3.960 -0.004 0.000 0.294 352 G C -0.710 174.265 174.900 0.124 0.000 1.397 352 G CA 0.187 45.380 45.100 0.155 0.000 0.790 352 G HN 1.260 nan 8.290 nan 0.000 0.486 353 G N -2.318 106.533 108.800 0.086 0.000 2.619 353 G HA2 1.028 4.985 3.960 -0.004 0.000 0.305 353 G HA3 1.028 4.985 3.960 -0.004 0.000 0.305 353 G C -0.266 174.658 174.900 0.040 0.000 1.330 353 G CA 0.429 45.561 45.100 0.053 0.000 0.789 353 G HN 2.160 nan 8.290 nan 0.000 0.487 354 G N -2.273 106.541 108.800 0.023 0.000 2.321 354 G HA2 0.688 4.646 3.960 -0.004 0.000 0.296 354 G HA3 0.688 4.646 3.960 -0.004 0.000 0.296 354 G C -0.579 174.347 174.900 0.045 0.000 1.287 354 G CA 0.448 45.573 45.100 0.042 0.000 0.846 354 G HN 1.690 nan 8.290 nan 0.000 0.508 355 G N -0.711 108.129 108.800 0.066 0.000 2.537 355 G HA2 0.757 4.715 3.960 -0.004 0.000 0.308 355 G HA3 0.757 4.715 3.960 -0.004 0.000 0.308 355 G C -0.865 174.077 174.900 0.070 0.000 1.237 355 G CA -0.157 44.989 45.100 0.077 0.000 0.968 355 G HN 0.959 nan 8.290 nan 0.000 0.481 356 Q N -0.171 119.665 119.800 0.060 0.000 2.416 356 Q HA 0.598 4.935 4.340 -0.004 0.000 0.281 356 Q C -1.511 174.512 176.000 0.037 0.000 1.067 356 Q CA -1.089 54.745 55.803 0.053 0.000 0.809 356 Q CB 2.787 31.562 28.738 0.063 0.000 1.418 356 Q HN 0.660 nan 8.270 nan 0.000 0.411 357 R N 1.528 122.040 120.500 0.021 0.000 2.621 357 R HA 0.629 4.967 4.340 -0.004 0.000 0.292 357 R C -1.484 174.779 176.300 -0.063 0.000 0.969 357 R CA -0.636 55.465 56.100 0.003 0.000 0.887 357 R CB 1.263 31.582 30.300 0.031 0.000 1.180 357 R HN 0.514 nan 8.270 nan 0.000 0.450 358 L N 2.946 124.114 121.223 -0.091 0.000 2.329 358 L HA 0.471 4.809 4.340 -0.004 0.000 0.279 358 L C -0.808 175.887 176.870 -0.292 0.000 1.014 358 L CA -0.238 54.452 54.840 -0.249 0.000 0.814 358 L CB 1.808 43.759 42.059 -0.181 0.000 1.257 358 L HN 0.649 nan 8.230 nan 0.000 0.424 359 D N 3.215 123.316 120.400 -0.497 0.000 2.386 359 D HA 0.287 4.925 4.640 -0.004 0.000 0.247 359 D C -1.468 174.605 176.300 -0.379 0.000 1.336 359 D CA -0.152 53.674 54.000 -0.290 0.000 0.976 359 D CB 0.768 41.494 40.800 -0.124 0.000 1.257 359 D HN 0.095 nan 8.370 nan 0.000 0.570 360 F N 1.579 121.569 119.950 0.067 0.000 2.420 360 F HA 0.319 4.843 4.527 -0.004 0.000 0.342 360 F C 1.018 176.894 175.800 0.126 0.000 1.113 360 F CA -0.774 57.283 58.000 0.095 0.000 1.059 360 F CB 1.196 40.244 39.000 0.080 0.000 1.128 360 F HN 0.020 nan 8.300 nan 0.000 0.475 361 D N 0.819 121.422 120.400 0.339 0.000 2.283 361 D HA 0.191 4.829 4.640 -0.004 0.000 0.248 361 D C -0.171 176.245 176.300 0.193 0.000 1.072 361 D CA -0.160 54.037 54.000 0.328 0.000 0.929 361 D CB 1.509 42.695 40.800 0.643 0.000 1.182 361 D HN 0.508 nan 8.370 nan 0.000 0.433 362 S N 0.995 116.767 115.700 0.119 0.000 2.560 362 S HA 0.139 4.606 4.470 -0.004 0.000 0.284 362 S C 0.137 174.602 174.600 -0.226 0.000 1.327 362 S CA -0.337 57.841 58.200 -0.036 0.000 1.055 362 S CB 1.016 64.229 63.200 0.022 0.000 0.868 362 S HN 0.370 nan 8.310 nan 0.000 0.506 363 Q N 0.641 120.162 119.800 -0.465 0.000 2.712 363 Q HA 0.368 4.705 4.340 -0.004 0.000 0.267 363 Q C 0.138 175.480 176.000 -1.097 0.000 1.062 363 Q CA -1.071 54.365 55.803 -0.612 0.000 0.888 363 Q CB 0.605 29.123 28.738 -0.368 0.000 1.374 363 Q HN 0.578 nan 8.270 nan 0.000 0.498 364 D N 0.479 120.446 120.400 -0.722 0.000 2.117 364 D HA -0.097 4.541 4.640 -0.004 0.000 0.197 364 D C 0.778 176.663 176.300 -0.693 0.000 0.987 364 D CA 1.608 55.253 54.000 -0.593 0.000 0.829 364 D CB 0.073 40.702 40.800 -0.285 0.000 0.961 364 D HN 0.439 nan 8.370 nan 0.000 0.460 365 S N -1.166 114.193 115.700 -0.569 0.000 2.711 365 S HA 0.682 5.149 4.470 -0.004 0.000 0.247 365 S C 0.016 174.397 174.600 -0.366 0.000 1.079 365 S CA -0.690 57.182 58.200 -0.547 0.000 1.050 365 S CB 1.096 64.174 63.200 -0.203 0.000 0.885 365 S HN 0.235 nan 8.310 nan 0.000 0.498 366 A N 0.995 123.546 122.820 -0.448 0.000 2.488 366 A HA 0.885 5.202 4.320 -0.004 0.000 0.298 366 A C -0.137 177.361 177.584 -0.144 0.000 1.044 366 A CA -0.564 51.386 52.037 -0.144 0.000 0.693 366 A CB 1.019 20.015 19.000 -0.007 0.000 1.272 366 A HN 0.771 nan 8.150 nan 0.000 0.402 367 A N 1.491 124.337 122.820 0.044 0.000 2.407 367 A HA 0.610 4.928 4.320 -0.004 0.000 0.248 367 A C 0.932 178.575 177.584 0.098 0.000 1.082 367 A CA 0.445 52.541 52.037 0.098 0.000 0.785 367 A CB -0.080 19.046 19.000 0.211 0.000 1.020 367 A HN 2.144 nan 8.150 nan 0.000 0.489 368 S N 0.859 116.636 115.700 0.128 0.000 2.585 368 S HA 0.662 5.129 4.470 -0.004 0.000 0.273 368 S C 0.234 174.959 174.600 0.209 0.000 1.339 368 S CA 0.125 58.434 58.200 0.181 0.000 1.028 368 S CB 0.999 64.303 63.200 0.173 0.000 0.906 368 S HN 2.046 nan 8.310 nan 0.000 0.528 369 G N 1.004 109.964 108.800 0.267 0.000 2.632 369 G HA2 0.571 4.529 3.960 -0.004 0.000 0.292 369 G HA3 0.571 4.529 3.960 -0.004 0.000 0.292 369 G C -2.141 172.924 174.900 0.275 0.000 1.465 369 G CA -0.514 44.748 45.100 0.270 0.000 0.824 369 G HN 1.080 nan 8.290 nan 0.000 0.509 370 D N -1.795 118.728 120.400 0.205 0.000 2.623 370 D HA 0.738 5.376 4.640 -0.004 0.000 0.241 370 D C -0.176 176.194 176.300 0.117 0.000 1.241 370 D CA -0.211 53.866 54.000 0.129 0.000 0.788 370 D CB 1.644 42.495 40.800 0.086 0.000 1.413 370 D HN 1.368 nan 8.370 nan 0.000 0.429 371 G N 0.022 108.869 108.800 0.078 0.000 2.442 371 G HA2 0.407 4.364 3.960 -0.004 0.000 0.296 371 G HA3 0.407 4.364 3.960 -0.004 0.000 0.296 371 G C -1.755 173.175 174.900 0.050 0.000 1.564 371 G CA -0.993 44.152 45.100 0.074 0.000 0.828 371 G HN 0.464 nan 8.290 nan 0.000 0.571 372 N N -0.741 117.991 118.700 0.053 0.000 2.489 372 N HA 0.827 5.564 4.740 -0.004 0.000 0.284 372 N C 0.295 175.828 175.510 0.038 0.000 1.158 372 N CA 0.332 53.412 53.050 0.051 0.000 0.965 372 N CB 2.042 40.569 38.487 0.066 0.000 1.195 372 N HN 1.033 nan 8.380 nan 0.000 0.506 373 G N -0.609 108.208 108.800 0.029 0.000 2.682 373 G HA2 0.600 4.557 3.960 -0.004 0.000 0.290 373 G HA3 0.600 4.557 3.960 -0.004 0.000 0.290 373 G C -1.956 172.950 174.900 0.010 0.000 1.425 373 G CA -0.570 44.504 45.100 -0.042 0.000 0.807 373 G HN 0.516 nan 8.290 nan 0.000 0.482 374 Y N -1.005 119.224 120.300 -0.118 0.000 2.669 374 Y HA 0.843 5.391 4.550 -0.004 0.000 0.335 374 Y C -0.681 175.004 175.900 -0.358 0.000 1.116 374 Y CA -1.610 56.395 58.100 -0.159 0.000 1.081 374 Y CB 1.744 40.154 38.460 -0.083 0.000 1.297 374 Y HN 0.888 nan 8.280 nan 0.000 0.484 375 N N 0.314 118.905 118.700 -0.183 0.000 2.598 375 N HA 0.534 5.271 4.740 -0.004 0.000 0.263 375 N C -2.612 172.798 175.510 -0.167 0.000 1.254 375 N CA -0.870 51.821 53.050 -0.598 0.000 0.863 375 N CB 2.271 39.790 38.487 -1.613 0.000 1.586 375 N HN 0.965 nan 8.380 nan 0.000 0.491 376 L N 0.324 121.508 121.223 -0.066 0.000 2.356 376 L HA 0.808 5.146 4.340 -0.004 0.000 0.277 376 L C -1.288 175.666 176.870 0.139 0.000 0.996 376 L CA 0.160 55.060 54.840 0.100 0.000 0.822 376 L CB 1.905 44.089 42.059 0.208 0.000 1.256 376 L HN 0.828 nan 8.230 nan 0.000 0.413 377 T N 6.125 120.788 114.554 0.181 0.000 2.886 377 T HA 0.789 5.137 4.350 -0.004 0.000 0.292 377 T C -1.039 173.821 174.700 0.268 0.000 1.012 377 T CA -0.416 61.861 62.100 0.295 0.000 0.982 377 T CB 1.507 70.597 68.868 0.370 0.000 1.018 377 T HN 0.628 nan 8.240 nan 0.000 0.451 378 L N 0.042 121.376 121.223 0.184 0.000 2.359 378 L HA 1.116 5.454 4.340 -0.004 0.000 0.256 378 L C -0.116 176.527 176.870 -0.379 0.000 1.026 378 L CA -0.828 53.947 54.840 -0.108 0.000 0.828 378 L CB 1.445 43.458 42.059 -0.077 0.000 1.406 378 L HN 0.899 nan 8.230 nan 0.000 0.413 379 G N -1.650 106.468 108.800 -1.137 0.000 2.488 379 G HA2 0.732 4.690 3.960 -0.004 0.000 0.301 379 G HA3 0.732 4.690 3.960 -0.004 0.000 0.301 379 G C -1.446 173.050 174.900 -0.673 0.000 1.339 379 G CA -0.197 44.423 45.100 -0.799 0.000 0.803 379 G HN 1.207 nan 8.290 nan 0.000 0.482 380 G N -0.834 107.963 108.800 -0.006 0.000 2.755 380 G HA2 0.717 4.675 3.960 -0.004 0.000 0.297 380 G HA3 0.717 4.675 3.960 -0.004 0.000 0.297 380 G C -0.606 174.586 174.900 0.487 0.000 1.441 380 G CA 0.593 45.830 45.100 0.228 0.000 0.964 380 G HN 1.658 nan 8.290 nan 0.000 0.540 381 S N 0.032 116.038 115.700 0.511 0.000 2.568 381 S HA 0.794 5.261 4.470 -0.004 0.000 0.302 381 S C -1.255 173.386 174.600 0.068 0.000 1.082 381 S CA -0.916 57.466 58.200 0.304 0.000 1.009 381 S CB 2.197 65.573 63.200 0.293 0.000 1.069 381 S HN 1.160 nan 8.310 nan 0.000 0.500 382 Y N 1.409 121.406 120.300 -0.505 0.000 2.350 382 Y HA 0.516 5.063 4.550 -0.004 0.000 0.338 382 Y C -0.011 175.555 175.900 -0.557 0.000 0.961 382 Y CA -0.926 56.613 58.100 -0.935 0.000 1.100 382 Y CB 1.421 38.835 38.460 -1.743 0.000 1.179 382 Y HN 0.891 nan 8.280 nan 0.000 0.454 383 R N 7.114 127.011 120.500 -1.005 0.000 2.291 383 R HA 0.253 4.591 4.340 -0.004 0.000 0.333 383 R C 0.395 176.200 176.300 -0.825 0.000 1.082 383 R CA 0.229 55.892 56.100 -0.730 0.000 0.948 383 R CB 0.083 30.117 30.300 -0.443 0.000 1.009 383 R HN 1.020 nan 8.270 nan 0.000 0.460 384 I N 1.822 122.171 120.570 -0.368 0.000 2.546 384 I HA -0.081 4.086 4.170 -0.004 0.000 0.255 384 I C 0.690 176.801 176.117 -0.010 0.000 1.163 384 I CA 0.882 62.143 61.300 -0.066 0.000 1.457 384 I CB -0.103 37.953 38.000 0.093 0.000 1.092 384 I HN 0.622 nan 8.210 nan 0.000 0.434 385 D N -1.447 118.971 120.400 0.030 0.000 2.779 385 D HA 0.054 4.692 4.640 -0.004 0.000 0.331 385 D C 0.388 176.779 176.300 0.152 0.000 1.331 385 D CA -0.448 53.636 54.000 0.139 0.000 0.866 385 D CB 0.907 41.892 40.800 0.307 0.000 1.409 385 D HN -0.182 nan 8.370 nan 0.000 0.486 386 E N 0.006 120.298 120.200 0.154 0.000 2.072 386 E HA 0.100 4.448 4.350 -0.004 0.000 0.191 386 E C 1.270 177.949 176.600 0.132 0.000 0.985 386 E CA 2.025 58.494 56.400 0.114 0.000 0.801 386 E CB -0.132 29.606 29.700 0.064 0.000 0.750 386 E HN 0.366 nan 8.360 nan 0.000 0.452 387 A N -1.409 121.484 122.820 0.121 0.000 2.343 387 A HA 0.243 4.561 4.320 -0.004 0.000 0.223 387 A C -0.292 177.243 177.584 -0.082 0.000 1.214 387 A CA -0.386 51.573 52.037 -0.130 0.000 0.900 387 A CB -0.026 18.785 19.000 -0.315 0.000 0.942 387 A HN 0.203 nan 8.150 nan 0.000 0.507 388 W N -1.012 120.475 121.300 0.311 0.000 2.781 388 W HA 0.767 5.425 4.660 -0.002 0.000 0.345 388 W C 0.275 176.737 176.519 -0.096 0.000 1.085 388 W CA -0.714 56.751 57.345 0.201 0.000 1.198 388 W CB 1.272 30.818 29.460 0.145 0.000 1.423 388 W HN 0.036 nan 8.180 nan 0.000 0.532 389 R N 1.350 121.884 120.500 0.057 0.000 2.566 389 R HA 0.748 5.085 4.340 -0.004 0.000 0.271 389 R C -1.460 174.764 176.300 -0.128 0.000 1.071 389 R CA -0.575 55.331 56.100 -0.323 0.000 0.915 389 R CB 1.587 31.270 30.300 -1.028 0.000 1.228 389 R HN 0.594 nan 8.270 nan 0.000 0.449 390 A N 1.664 124.373 122.820 -0.186 0.000 2.454 390 A HA 0.944 5.262 4.320 -0.004 0.000 0.302 390 A C -0.896 176.403 177.584 -0.475 0.000 1.079 390 A CA -0.313 51.555 52.037 -0.281 0.000 0.731 390 A CB 2.078 20.984 19.000 -0.156 0.000 1.299 390 A HN 0.852 nan 8.150 nan 0.000 0.413 391 G N -1.191 107.006 108.800 -1.005 0.000 2.606 391 G HA2 0.760 4.717 3.960 -0.004 0.000 0.300 391 G HA3 0.760 4.717 3.960 -0.004 0.000 0.300 391 G C -1.086 173.421 174.900 -0.655 0.000 1.360 391 G CA 0.217 44.828 45.100 -0.816 0.000 0.783 391 G HN 2.065 nan 8.290 nan 0.000 0.484 392 V N -3.593 116.326 119.914 0.008 0.000 3.114 392 V HA 1.028 5.146 4.120 -0.004 0.000 0.308 392 V C -0.137 176.195 176.094 0.396 0.000 1.168 392 V CA -0.466 61.972 62.300 0.230 0.000 1.015 392 V CB 1.179 33.078 31.823 0.127 0.000 1.050 392 V HN 2.398 nan 8.190 nan 0.000 0.433 393 A N 1.128 124.189 122.820 0.402 0.000 2.594 393 A HA 1.105 5.423 4.320 -0.004 0.000 0.291 393 A C -0.507 177.303 177.584 0.376 0.000 1.105 393 A CA -0.348 51.911 52.037 0.370 0.000 0.694 393 A CB 1.715 20.982 19.000 0.445 0.000 1.291 393 A HN 2.704 nan 8.150 nan 0.000 0.410 394 A N -0.435 122.603 122.820 0.363 0.000 2.549 394 A HA 0.894 5.212 4.320 -0.004 0.000 0.297 394 A C -0.286 177.541 177.584 0.405 0.000 1.061 394 A CA -0.018 52.213 52.037 0.324 0.000 0.690 394 A CB 1.645 20.764 19.000 0.198 0.000 1.287 394 A HN 2.342 nan 8.150 nan 0.000 0.402 395 G N -0.030 108.948 108.800 0.296 0.000 2.701 395 G HA2 0.604 4.561 3.960 -0.004 0.000 0.300 395 G HA3 0.604 4.561 3.960 -0.004 0.000 0.300 395 G C -1.520 173.569 174.900 0.316 0.000 1.410 395 G CA -0.453 44.883 45.100 0.393 0.000 1.014 395 G HN 1.194 nan 8.290 nan 0.000 0.509 396 F N 2.661 122.692 119.950 0.135 0.000 2.444 396 F HA 0.776 5.300 4.527 -0.004 0.000 0.342 396 F C -1.490 174.235 175.800 -0.126 0.000 1.121 396 F CA -1.521 56.457 58.000 -0.037 0.000 0.997 396 F CB 1.237 40.196 39.000 -0.070 0.000 1.130 396 F HN 0.406 nan 8.300 nan 0.000 0.454 397 Y N 4.950 124.529 120.300 -1.202 0.000 2.361 397 Y HA 0.515 5.062 4.550 -0.004 0.000 0.337 397 Y C -0.529 174.579 175.900 -1.319 0.000 0.965 397 Y CA -1.076 56.388 58.100 -1.062 0.000 1.091 397 Y CB 1.685 39.804 38.460 -0.568 0.000 1.182 397 Y HN 0.536 nan 8.280 nan 0.000 0.450 398 R N 2.906 122.689 120.500 -1.194 0.000 2.343 398 R HA 0.458 4.796 4.340 -0.004 0.000 0.320 398 R C -1.599 174.373 176.300 -0.546 0.000 0.956 398 R CA -0.709 54.854 56.100 -0.896 0.000 0.836 398 R CB 1.150 30.777 30.300 -1.122 0.000 1.151 398 R HN 0.632 nan 8.270 nan 0.000 0.450 399 Q N 3.295 122.909 119.800 -0.311 0.000 2.337 399 Q HA 0.396 4.733 4.340 -0.004 0.000 0.270 399 Q C -1.506 174.459 176.000 -0.057 0.000 1.043 399 Q CA -0.676 55.036 55.803 -0.152 0.000 0.794 399 Q CB 1.364 30.037 28.738 -0.108 0.000 1.281 399 Q HN 0.686 nan 8.270 nan 0.000 0.446 400 K N 2.249 122.648 120.400 -0.001 0.000 2.208 400 K HA 0.805 5.123 4.320 -0.004 0.000 0.247 400 K C -1.358 175.301 176.600 0.098 0.000 0.953 400 K CA -1.113 55.208 56.287 0.056 0.000 0.837 400 K CB 1.806 34.339 32.500 0.054 0.000 1.131 400 K HN 0.446 nan 8.250 nan 0.000 0.431 401 L N 0.691 122.003 121.223 0.148 0.000 2.464 401 L HA 0.354 4.691 4.340 -0.004 0.000 0.266 401 L C -1.531 175.454 176.870 0.191 0.000 0.965 401 L CA -0.197 54.758 54.840 0.192 0.000 0.833 401 L CB 2.373 44.580 42.059 0.247 0.000 1.296 401 L HN 0.794 nan 8.230 nan 0.000 0.405 402 E N 3.758 124.054 120.200 0.160 0.000 2.113 402 E HA 0.749 5.097 4.350 -0.004 0.000 0.273 402 E C -1.108 175.599 176.600 0.179 0.000 0.924 402 E CA -0.631 55.847 56.400 0.130 0.000 0.764 402 E CB 1.735 31.489 29.700 0.090 0.000 1.104 402 E HN 0.703 nan 8.360 nan 0.000 0.406 403 A N 2.556 125.504 122.820 0.213 0.000 2.454 403 A HA 0.909 5.227 4.320 -0.004 0.000 0.302 403 A C 0.047 177.767 177.584 0.227 0.000 1.079 403 A CA -0.038 52.141 52.037 0.237 0.000 0.731 403 A CB 1.644 20.809 19.000 0.274 0.000 1.299 403 A HN 0.748 nan 8.150 nan 0.000 0.413 404 G N -0.871 108.061 108.800 0.221 0.000 2.757 404 G HA2 0.340 4.298 3.960 -0.004 0.000 0.638 404 G HA3 0.340 4.298 3.960 -0.004 0.000 0.638 404 G C 0.917 175.945 174.900 0.213 0.000 1.344 404 G CA 0.285 45.532 45.100 0.244 0.000 0.855 404 G HN 2.196 nan 8.290 nan 0.000 0.537 405 A N -0.633 122.334 122.820 0.245 0.000 1.978 405 A HA 0.067 4.384 4.320 -0.004 0.000 0.220 405 A C 1.983 179.657 177.584 0.150 0.000 1.170 405 A CA 2.438 54.596 52.037 0.203 0.000 0.636 405 A CB -0.222 18.923 19.000 0.242 0.000 0.810 405 A HN 0.578 nan 8.150 nan 0.000 0.448 406 K N -0.169 120.320 120.400 0.148 0.000 2.455 406 K HA 0.127 4.444 4.320 -0.004 0.000 0.206 406 K C -0.768 175.870 176.600 0.063 0.000 1.027 406 K CA -0.005 56.337 56.287 0.091 0.000 1.113 406 K CB 0.260 32.805 32.500 0.074 0.000 0.850 406 K HN 0.360 nan 8.250 nan 0.000 0.503 407 D N 1.137 121.587 120.400 0.083 0.000 2.705 407 D HA -0.134 4.503 4.640 -0.004 0.000 0.240 407 D C -0.744 175.560 176.300 0.007 0.000 1.137 407 D CA 0.673 54.709 54.000 0.060 0.000 0.677 407 D CB -1.508 39.318 40.800 0.044 0.000 1.049 407 D HN -0.011 nan 8.370 nan 0.000 0.427 408 S N 0.520 116.226 115.700 0.010 0.000 2.554 408 S HA 0.043 4.510 4.470 -0.004 0.000 0.290 408 S C 0.334 174.735 174.600 -0.332 0.000 1.309 408 S CA 0.110 58.212 58.200 -0.164 0.000 1.047 408 S CB 1.017 64.167 63.200 -0.083 0.000 0.828 408 S HN 0.335 nan 8.310 nan 0.000 0.509 409 D N 1.395 121.471 120.400 -0.540 0.000 2.425 409 D HA 0.413 5.050 4.640 -0.004 0.000 0.240 409 D C -1.708 174.286 176.300 -0.510 0.000 1.080 409 D CA -0.386 53.399 54.000 -0.358 0.000 0.836 409 D CB 0.353 41.054 40.800 -0.166 0.000 1.125 409 D HN 0.350 nan 8.370 nan 0.000 0.525 410 Y N 2.452 122.785 120.300 0.056 0.000 2.361 410 Y HA 0.524 5.072 4.550 -0.004 0.000 0.337 410 Y C 0.356 176.292 175.900 0.061 0.000 0.965 410 Y CA -0.883 57.251 58.100 0.057 0.000 1.091 410 Y CB 1.723 40.213 38.460 0.049 0.000 1.182 410 Y HN 0.053 nan 8.280 nan 0.000 0.450 411 R N 3.543 124.165 120.500 0.202 0.000 2.686 411 R HA 0.736 5.074 4.340 -0.004 0.000 0.286 411 R C -1.275 175.066 176.300 0.067 0.000 0.969 411 R CA -0.994 55.168 56.100 0.104 0.000 0.898 411 R CB 3.033 33.370 30.300 0.061 0.000 1.183 411 R HN 0.767 nan 8.270 nan 0.000 0.456 412 M N 2.316 121.880 119.600 -0.061 0.000 2.386 412 M HA 0.386 4.864 4.480 -0.004 0.000 0.293 412 M C -1.756 174.356 176.300 -0.312 0.000 1.120 412 M CA -0.702 54.438 55.300 -0.267 0.000 0.909 412 M CB 2.369 34.722 32.600 -0.412 0.000 1.661 412 M HN 0.485 nan 8.290 nan 0.000 0.452 413 N N 2.556 121.063 118.700 -0.322 0.000 2.424 413 N HA 0.311 5.049 4.740 -0.004 0.000 0.271 413 N C -1.541 173.699 175.510 -0.450 0.000 0.985 413 N CA -0.136 52.715 53.050 -0.332 0.000 0.921 413 N CB 2.061 40.543 38.487 -0.009 0.000 1.149 413 N HN 0.568 nan 8.380 nan 0.000 0.492 414 S N 2.493 117.849 115.700 -0.574 0.000 2.498 414 S HA 0.481 4.949 4.470 -0.004 0.000 0.317 414 S C -1.324 173.016 174.600 -0.434 0.000 1.090 414 S CA -0.596 57.344 58.200 -0.432 0.000 1.089 414 S CB 0.132 63.098 63.200 -0.390 0.000 0.997 414 S HN 0.335 nan 8.310 nan 0.000 0.470 415 Y N 4.599 124.906 120.300 0.012 0.000 2.417 415 Y HA 0.518 5.066 4.550 -0.004 0.000 0.336 415 Y C 0.383 176.273 175.900 -0.016 0.000 0.961 415 Y CA -0.664 57.497 58.100 0.102 0.000 1.215 415 Y CB 0.888 39.476 38.460 0.214 0.000 1.120 415 Y HN 0.441 nan 8.280 nan 0.000 0.499 416 M N 2.778 122.341 119.600 -0.061 0.000 2.598 416 M HA 0.877 5.354 4.480 -0.004 0.000 0.317 416 M C -0.562 175.671 176.300 -0.112 0.000 1.179 416 M CA -0.728 54.431 55.300 -0.235 0.000 0.936 416 M CB 2.302 34.439 32.600 -0.770 0.000 1.713 416 M HN 0.672 nan 8.290 nan 0.000 0.460 417 A N 0.970 123.806 122.820 0.027 0.000 2.556 417 A HA 0.958 5.275 4.320 -0.004 0.000 0.294 417 A C -1.248 176.505 177.584 0.283 0.000 1.091 417 A CA -0.633 51.518 52.037 0.190 0.000 0.704 417 A CB 1.681 20.779 19.000 0.163 0.000 1.300 417 A HN 0.777 nan 8.150 nan 0.000 0.406 418 S N -0.669 115.252 115.700 0.368 0.000 2.579 418 S HA 0.867 5.334 4.470 -0.004 0.000 0.272 418 S C -0.547 174.272 174.600 0.365 0.000 1.141 418 S CA -0.183 58.248 58.200 0.385 0.000 0.843 418 S CB 1.671 65.149 63.200 0.464 0.000 1.122 418 S HN 2.095 nan 8.310 nan 0.000 0.468 419 A N 1.325 124.343 122.820 0.329 0.000 2.342 419 A HA 0.927 5.244 4.320 -0.004 0.000 0.323 419 A C -0.823 176.967 177.584 0.343 0.000 1.125 419 A CA -0.851 51.328 52.037 0.236 0.000 0.785 419 A CB 0.428 19.514 19.000 0.142 0.000 1.221 419 A HN 1.247 nan 8.150 nan 0.000 0.463 420 F N 0.552 120.638 119.950 0.227 0.000 2.629 420 F HA 0.846 5.372 4.527 -0.003 0.000 0.316 420 F C -1.038 174.845 175.800 0.139 0.000 1.081 420 F CA -1.406 56.725 58.000 0.219 0.000 0.954 420 F CB 1.413 40.617 39.000 0.340 0.000 1.337 420 F HN 0.549 nan 8.300 nan 0.000 0.474 421 V N 1.326 121.424 119.914 0.308 0.000 2.925 421 V HA 0.615 4.732 4.120 -0.004 0.000 0.311 421 V C -1.497 174.741 176.094 0.241 0.000 1.104 421 V CA -0.269 62.165 62.300 0.222 0.000 0.954 421 V CB 2.301 34.265 31.823 0.234 0.000 1.022 421 V HN 0.981 nan 8.190 nan 0.000 0.427 422 Q N 3.365 123.310 119.800 0.242 0.000 2.389 422 Q HA 0.506 4.844 4.340 -0.004 0.000 0.277 422 Q C -2.211 173.969 176.000 0.300 0.000 1.082 422 Q CA -0.615 55.291 55.803 0.171 0.000 0.810 422 Q CB 3.256 31.995 28.738 0.003 0.000 1.374 422 Q HN 0.781 nan 8.270 nan 0.000 0.422 423 Y N 1.754 122.070 120.300 0.027 0.000 2.406 423 Y HA 0.363 4.910 4.550 -0.004 0.000 0.340 423 Y C -1.699 174.169 175.900 -0.054 0.000 0.975 423 Y CA -0.412 57.511 58.100 -0.296 0.000 1.056 423 Y CB 1.694 39.696 38.460 -0.763 0.000 1.210 423 Y HN 0.554 nan 8.280 nan 0.000 0.448 424 Q N 4.586 123.933 119.800 -0.755 0.000 2.275 424 Q HA 0.524 4.862 4.340 -0.004 0.000 0.258 424 Q C -1.926 173.575 176.000 -0.832 0.000 0.960 424 Q CA -0.945 54.442 55.803 -0.692 0.000 0.801 424 Q CB 2.623 31.023 28.738 -0.564 0.000 1.302 424 Q HN 0.724 nan 8.270 nan 0.000 0.433 425 E N 2.701 122.501 120.200 -0.667 0.000 2.311 425 E HA 0.221 4.568 4.350 -0.004 0.000 0.281 425 E C -0.971 175.588 176.600 -0.068 0.000 0.905 425 E CA -0.651 55.519 56.400 -0.383 0.000 0.778 425 E CB 1.011 30.474 29.700 -0.395 0.000 1.240 425 E HN 0.754 nan 8.360 nan 0.000 0.410 426 N N 3.382 122.042 118.700 -0.066 0.000 2.740 426 N HA -0.249 4.489 4.740 -0.004 0.000 0.248 426 N C -0.415 175.056 175.510 -0.065 0.000 1.062 426 N CA 1.710 54.760 53.050 -0.000 0.000 0.704 426 N CB -0.781 37.786 38.487 0.134 0.000 0.968 426 N HN 0.872 nan 8.380 nan 0.000 0.547 427 R N -4.977 115.405 120.500 -0.197 0.000 3.653 427 R HA -0.247 4.090 4.340 -0.004 0.000 0.485 427 R C -0.460 175.596 176.300 -0.407 0.000 0.840 427 R CA 1.602 57.428 56.100 -0.456 0.000 1.409 427 R CB -1.780 27.957 30.300 -0.938 0.000 2.089 427 R HN 0.444 nan 8.270 nan 0.000 0.482 428 W N 2.208 123.519 121.300 0.018 0.000 2.376 428 W HA 0.530 5.188 4.660 -0.004 0.000 0.322 428 W C 0.651 177.229 176.519 0.098 0.000 1.160 428 W CA -0.313 57.106 57.345 0.124 0.000 1.218 428 W CB 0.780 30.379 29.460 0.232 0.000 1.205 428 W HN 0.141 nan 8.180 nan 0.000 0.559 429 W N 1.276 122.763 121.300 0.311 0.000 3.167 429 W HA 0.820 5.477 4.660 -0.004 0.000 0.324 429 W C -1.859 174.739 176.519 0.132 0.000 1.230 429 W CA -1.778 55.621 57.345 0.090 0.000 1.184 429 W CB 0.875 30.277 29.460 -0.097 0.000 1.414 429 W HN 0.613 nan 8.180 nan 0.000 0.551 430 A N 2.324 125.392 122.820 0.414 0.000 2.566 430 A HA 0.600 4.918 4.320 -0.004 0.000 0.297 430 A C -1.789 175.921 177.584 0.210 0.000 1.059 430 A CA -0.562 51.615 52.037 0.234 0.000 0.691 430 A CB 1.973 21.063 19.000 0.150 0.000 1.282 430 A HN 0.501 nan 8.150 nan 0.000 0.401 431 D N 0.361 120.838 120.400 0.128 0.000 2.457 431 D HA 0.763 5.401 4.640 -0.004 0.000 0.240 431 D C -0.466 175.857 176.300 0.037 0.000 1.041 431 D CA 0.163 54.143 54.000 -0.034 0.000 0.861 431 D CB 2.151 42.853 40.800 -0.163 0.000 1.394 431 D HN 0.987 nan 8.370 nan 0.000 0.473 432 A N 0.397 123.255 122.820 0.064 0.000 2.488 432 A HA 0.769 5.087 4.320 -0.004 0.000 0.295 432 A C -1.511 176.195 177.584 0.203 0.000 1.045 432 A CA -0.597 51.507 52.037 0.110 0.000 0.703 432 A CB 1.639 20.827 19.000 0.315 0.000 1.271 432 A HN 0.589 nan 8.150 nan 0.000 0.400 433 A N 1.631 124.497 122.820 0.077 0.000 2.408 433 A HA 0.684 5.002 4.320 -0.004 0.000 0.295 433 A C -1.574 176.189 177.584 0.299 0.000 1.040 433 A CA -0.398 51.808 52.037 0.281 0.000 0.707 433 A CB 1.200 20.399 19.000 0.332 0.000 1.235 433 A HN 1.754 nan 8.150 nan 0.000 0.418 434 L N 2.256 123.729 121.223 0.416 0.000 2.287 434 L HA 0.771 5.109 4.340 -0.004 0.000 0.287 434 L C -0.326 176.774 176.870 0.384 0.000 1.022 434 L CA 0.516 55.629 54.840 0.455 0.000 0.814 434 L CB 1.553 43.861 42.059 0.415 0.000 1.217 434 L HN 0.645 nan 8.230 nan 0.000 0.420 435 T N 3.819 118.604 114.554 0.384 0.000 2.841 435 T HA 0.835 5.183 4.350 -0.004 0.000 0.283 435 T C -0.126 174.766 174.700 0.320 0.000 1.000 435 T CA -0.426 61.873 62.100 0.332 0.000 0.977 435 T CB 1.632 70.685 68.868 0.308 0.000 0.979 435 T HN 0.825 nan 8.240 nan 0.000 0.446 436 G N 0.154 109.104 108.800 0.250 0.000 2.569 436 G HA2 0.794 4.752 3.960 -0.004 0.000 0.300 436 G HA3 0.794 4.752 3.960 -0.004 0.000 0.300 436 G C -0.830 174.160 174.900 0.151 0.000 1.269 436 G CA -0.928 44.315 45.100 0.238 0.000 0.959 436 G HN 0.957 nan 8.290 nan 0.000 0.478 437 G N -1.422 107.479 108.800 0.169 0.000 2.742 437 G HA2 0.527 4.484 3.960 -0.004 0.000 0.296 437 G HA3 0.527 4.484 3.960 -0.004 0.000 0.296 437 G C -2.166 172.870 174.900 0.227 0.000 1.436 437 G CA -0.583 44.593 45.100 0.127 0.000 0.928 437 G HN 0.835 nan 8.290 nan 0.000 0.520 438 Y N 1.610 121.989 120.300 0.131 0.000 2.409 438 Y HA 0.785 5.333 4.550 -0.004 0.000 0.339 438 Y C -0.950 175.046 175.900 0.161 0.000 1.033 438 Y CA -1.336 56.855 58.100 0.151 0.000 1.094 438 Y CB 1.629 40.151 38.460 0.103 0.000 1.210 438 Y HN 0.437 nan 8.280 nan 0.000 0.456 439 L N 5.899 126.652 121.223 -0.784 0.000 2.325 439 L HA 0.353 4.690 4.340 -0.004 0.000 0.281 439 L C -1.242 175.082 176.870 -0.911 0.000 1.004 439 L CA -0.823 53.590 54.840 -0.712 0.000 0.823 439 L CB 1.608 43.397 42.059 -0.449 0.000 1.236 439 L HN 0.622 nan 8.230 nan 0.000 0.415 440 D N 2.425 122.462 120.400 -0.605 0.000 2.460 440 D HA 0.193 4.831 4.640 -0.004 0.000 0.232 440 D C -0.998 175.145 176.300 -0.262 0.000 1.079 440 D CA -0.316 53.524 54.000 -0.267 0.000 0.864 440 D CB 0.543 41.391 40.800 0.080 0.000 1.048 440 D HN 0.198 nan 8.370 nan 0.000 0.523 441 Y N 3.109 123.346 120.300 -0.106 0.000 2.632 441 Y HA 0.117 4.665 4.550 -0.004 0.000 0.336 441 Y C 1.464 177.324 175.900 -0.066 0.000 1.237 441 Y CA -0.454 57.590 58.100 -0.093 0.000 1.595 441 Y CB 0.481 38.858 38.460 -0.139 0.000 1.508 441 Y HN 0.416 nan 8.280 nan 0.000 0.480 442 D N -0.413 120.029 120.400 0.069 0.000 2.317 442 D HA -0.096 4.542 4.640 -0.004 0.000 0.211 442 D C -0.171 176.164 176.300 0.057 0.000 0.966 442 D CA 0.589 54.628 54.000 0.064 0.000 0.876 442 D CB 0.334 41.177 40.800 0.072 0.000 0.927 442 D HN 0.464 nan 8.370 nan 0.000 0.519 443 D N -0.456 119.987 120.400 0.071 0.000 2.478 443 D HA 0.284 4.922 4.640 -0.004 0.000 0.240 443 D C -1.717 174.637 176.300 0.090 0.000 1.364 443 D CA -0.582 53.455 54.000 0.061 0.000 0.987 443 D CB 0.869 41.699 40.800 0.049 0.000 1.328 443 D HN -0.186 nan 8.370 nan 0.000 0.584 444 L N 3.819 125.093 121.223 0.085 0.000 2.366 444 L HA 0.413 4.751 4.340 -0.004 0.000 0.266 444 L C -0.372 176.557 176.870 0.098 0.000 1.010 444 L CA -0.537 54.415 54.840 0.187 0.000 0.879 444 L CB 1.131 43.294 42.059 0.172 0.000 1.228 444 L HN 0.383 nan 8.230 nan 0.000 0.439 445 K N 3.671 123.996 120.400 -0.125 0.000 2.414 445 K HA 0.384 4.701 4.320 -0.004 0.000 0.251 445 K C -0.222 176.247 176.600 -0.219 0.000 1.037 445 K CA -0.622 55.596 56.287 -0.115 0.000 0.980 445 K CB 0.770 33.206 32.500 -0.106 0.000 1.280 445 K HN 0.450 nan 8.250 nan 0.000 0.451 446 R N 4.030 124.540 120.500 0.017 0.000 2.234 446 R HA 0.188 4.525 4.340 -0.004 0.000 0.324 446 R C -0.892 175.476 176.300 0.112 0.000 1.054 446 R CA -0.215 55.965 56.100 0.134 0.000 0.912 446 R CB 0.632 31.151 30.300 0.365 0.000 1.030 446 R HN 0.447 nan 8.270 nan 0.000 0.455 447 K N 4.849 125.294 120.400 0.076 0.000 2.259 447 K HA 0.469 4.787 4.320 -0.004 0.000 0.249 447 K C -1.188 175.485 176.600 0.122 0.000 0.942 447 K CA -0.702 55.555 56.287 -0.050 0.000 0.816 447 K CB 1.655 34.116 32.500 -0.065 0.000 1.155 447 K HN 0.449 nan 8.250 nan 0.000 0.428 448 F N -1.422 118.582 119.950 0.089 0.000 2.668 448 F HA 0.647 5.172 4.527 -0.004 0.000 0.309 448 F C -1.001 174.857 175.800 0.097 0.000 1.117 448 F CA -1.623 56.447 58.000 0.116 0.000 0.951 448 F CB 0.677 39.752 39.000 0.125 0.000 1.323 448 F HN 0.474 nan 8.300 nan 0.000 0.451 449 A N 2.016 125.037 122.820 0.335 0.000 2.440 449 A HA 0.668 4.986 4.320 -0.004 0.000 0.251 449 A C -1.088 176.644 177.584 0.248 0.000 1.089 449 A CA -0.157 51.994 52.037 0.190 0.000 0.779 449 A CB 0.580 19.653 19.000 0.122 0.000 1.022 449 A HN 1.227 nan 8.150 nan 0.000 0.492 450 L N 1.345 122.642 121.223 0.122 0.000 2.643 450 L HA 0.598 4.936 4.340 -0.004 0.000 0.257 450 L C 0.576 177.451 176.870 0.009 0.000 0.922 450 L CA 1.167 56.055 54.840 0.079 0.000 0.909 450 L CB 1.611 43.776 42.059 0.176 0.000 1.424 450 L HN 1.807 nan 8.230 nan 0.000 0.422 451 G N 2.656 111.403 108.800 -0.088 0.000 2.283 451 G HA2 0.064 4.021 3.960 -0.004 0.000 0.280 451 G HA3 0.064 4.021 3.960 -0.004 0.000 0.280 451 G C 1.195 176.103 174.900 0.014 0.000 1.029 451 G CA 1.191 46.271 45.100 -0.033 0.000 0.840 451 G HN 2.337 nan 8.290 nan 0.000 0.505 452 G N -2.528 106.269 108.800 -0.006 0.000 2.220 452 G HA2 0.082 4.039 3.960 -0.004 0.000 0.269 452 G HA3 0.082 4.039 3.960 -0.004 0.000 0.269 452 G C 1.503 176.410 174.900 0.011 0.000 0.977 452 G CA 1.311 46.411 45.100 0.000 0.000 0.634 452 G HN 2.102 nan 8.290 nan 0.000 0.539 453 G N -0.393 108.420 108.800 0.021 0.000 3.341 453 G HA2 0.757 4.715 3.960 -0.004 0.000 0.177 453 G HA3 0.757 4.715 3.960 -0.004 0.000 0.177 453 G C -0.235 174.668 174.900 0.005 0.000 1.236 453 G CA 0.435 45.543 45.100 0.014 0.000 0.888 453 G HN 1.200 nan 8.290 nan 0.000 0.644 454 E N -1.204 118.982 120.200 -0.023 0.000 2.390 454 E HA 0.623 4.970 4.350 -0.004 0.000 0.277 454 E C -1.166 175.332 176.600 -0.169 0.000 0.939 454 E CA -0.974 55.374 56.400 -0.087 0.000 0.769 454 E CB 2.558 32.206 29.700 -0.086 0.000 1.251 454 E HN 0.459 nan 8.360 nan 0.000 0.450 455 R N 0.911 121.163 120.500 -0.413 0.000 2.803 455 R HA 0.561 4.899 4.340 -0.004 0.000 0.276 455 R C -1.257 174.596 176.300 -0.744 0.000 0.978 455 R CA -0.477 55.331 56.100 -0.488 0.000 0.939 455 R CB 1.977 32.053 30.300 -0.374 0.000 1.179 455 R HN 0.780 nan 8.270 nan 0.000 0.472 456 S N 1.720 117.197 115.700 -0.371 0.000 2.542 456 S HA 0.535 5.003 4.470 -0.004 0.000 0.293 456 S C -1.071 173.511 174.600 -0.029 0.000 1.089 456 S CA -0.975 57.088 58.200 -0.228 0.000 0.961 456 S CB 2.259 65.385 63.200 -0.124 0.000 1.062 456 S HN 0.566 nan 8.310 nan 0.000 0.483 457 E N 1.284 121.549 120.200 0.109 0.000 2.238 457 E HA 0.531 4.879 4.350 -0.004 0.000 0.267 457 E C -1.063 175.647 176.600 0.183 0.000 0.887 457 E CA -0.740 55.771 56.400 0.185 0.000 0.769 457 E CB 2.347 32.219 29.700 0.288 0.000 1.187 457 E HN 0.659 nan 8.360 nan 0.000 0.416 458 K N 0.245 120.750 120.400 0.175 0.000 2.375 458 K HA 0.814 5.132 4.320 -0.004 0.000 0.249 458 K C -0.252 176.486 176.600 0.229 0.000 0.942 458 K CA -0.867 55.520 56.287 0.167 0.000 0.806 458 K CB 2.470 35.028 32.500 0.096 0.000 1.227 458 K HN 0.621 nan 8.250 nan 0.000 0.430 459 G N 0.739 109.668 108.800 0.216 0.000 2.606 459 G HA2 0.544 4.501 3.960 -0.004 0.000 0.300 459 G HA3 0.544 4.501 3.960 -0.004 0.000 0.300 459 G C -2.032 172.817 174.900 -0.086 0.000 1.360 459 G CA -0.657 44.550 45.100 0.178 0.000 0.783 459 G HN 0.726 nan 8.290 nan 0.000 0.484 460 D N -2.274 117.956 120.400 -0.283 0.000 2.654 460 D HA 0.678 5.315 4.640 -0.004 0.000 0.231 460 D C -0.567 175.508 176.300 -0.376 0.000 1.239 460 D CA -0.455 53.385 54.000 -0.266 0.000 0.790 460 D CB 2.138 42.907 40.800 -0.052 0.000 1.480 460 D HN 0.558 nan 8.370 nan 0.000 0.442 461 T N -0.251 114.165 114.554 -0.229 0.000 2.671 461 T HA 0.546 4.893 4.350 -0.004 0.000 0.300 461 T C -1.696 173.069 174.700 0.108 0.000 1.238 461 T CA -0.684 61.358 62.100 -0.096 0.000 1.020 461 T CB 1.205 69.952 68.868 -0.203 0.000 1.503 461 T HN 0.497 nan 8.240 nan 0.000 0.497 462 N N -0.701 118.088 118.700 0.150 0.000 2.405 462 N HA 0.794 5.532 4.740 -0.004 0.000 0.285 462 N C -0.504 175.115 175.510 0.182 0.000 1.262 462 N CA -0.418 52.729 53.050 0.162 0.000 0.773 462 N CB 2.042 40.667 38.487 0.230 0.000 1.490 462 N HN 0.984 nan 8.380 nan 0.000 0.486 463 G N -1.025 107.837 108.800 0.104 0.000 2.606 463 G HA2 0.594 4.551 3.960 -0.004 0.000 0.300 463 G HA3 0.594 4.551 3.960 -0.004 0.000 0.300 463 G C -1.967 173.013 174.900 0.134 0.000 1.360 463 G CA -0.508 44.666 45.100 0.123 0.000 0.783 463 G HN 0.902 nan 8.290 nan 0.000 0.484 464 H N -2.266 116.847 119.070 0.071 0.000 3.014 464 H HA 0.790 5.343 4.556 -0.004 0.000 0.337 464 H C -1.236 174.137 175.328 0.076 0.000 1.320 464 H CA -1.039 55.067 56.048 0.097 0.000 1.128 464 H CB 1.585 31.453 29.762 0.177 0.000 1.862 464 H HN 1.152 nan 8.280 nan 0.000 0.536 465 L N -1.592 119.740 121.223 0.181 0.000 2.465 465 L HA 0.699 5.037 4.340 -0.004 0.000 0.257 465 L C -1.604 175.457 176.870 0.319 0.000 0.988 465 L CA -0.924 53.973 54.840 0.095 0.000 0.827 465 L CB 2.325 44.317 42.059 -0.112 0.000 1.397 465 L HN 1.003 nan 8.230 nan 0.000 0.410 466 W N 1.291 122.654 121.300 0.105 0.000 3.127 466 W HA 0.968 5.626 4.660 -0.003 0.000 0.330 466 W C -1.828 174.785 176.519 0.157 0.000 1.187 466 W CA -0.905 56.531 57.345 0.151 0.000 1.198 466 W CB 1.397 30.977 29.460 0.201 0.000 1.408 466 W HN 1.036 nan 8.180 nan 0.000 0.529 467 A N 3.162 126.108 122.820 0.211 0.000 2.549 467 A HA 0.807 5.124 4.320 -0.004 0.000 0.297 467 A C -2.584 175.209 177.584 0.349 0.000 1.061 467 A CA -0.685 51.378 52.037 0.042 0.000 0.690 467 A CB 2.199 21.205 19.000 0.010 0.000 1.287 467 A HN 0.760 nan 8.150 nan 0.000 0.402 468 F N 2.114 122.163 119.950 0.166 0.000 2.520 468 F HA 0.716 5.241 4.527 -0.004 0.000 0.322 468 F C 0.003 175.912 175.800 0.182 0.000 1.103 468 F CA -0.205 57.941 58.000 0.244 0.000 0.926 468 F CB 2.205 41.386 39.000 0.302 0.000 1.154 468 F HN 0.669 nan 8.300 nan 0.000 0.453 469 S N 4.342 119.612 115.700 -0.717 0.000 2.536 469 S HA 0.982 5.450 4.470 -0.004 0.000 0.287 469 S C -0.999 173.144 174.600 -0.762 0.000 1.101 469 S CA -0.573 57.307 58.200 -0.532 0.000 0.950 469 S CB 1.591 64.695 63.200 -0.160 0.000 1.056 469 S HN 1.182 nan 8.310 nan 0.000 0.481 470 A N 2.115 124.708 122.820 -0.379 0.000 2.587 470 A HA 1.005 5.322 4.320 -0.004 0.000 0.293 470 A C -0.758 176.843 177.584 0.029 0.000 1.087 470 A CA -1.220 50.734 52.037 -0.138 0.000 0.692 470 A CB 1.576 20.602 19.000 0.043 0.000 1.291 470 A HN 1.181 nan 8.150 nan 0.000 0.407 471 R N -0.286 120.255 120.500 0.068 0.000 2.712 471 R HA 0.845 5.182 4.340 -0.004 0.000 0.272 471 R C -1.795 174.496 176.300 -0.015 0.000 1.032 471 R CA -0.736 55.414 56.100 0.083 0.000 0.874 471 R CB 1.338 31.699 30.300 0.102 0.000 1.256 471 R HN 1.057 nan 8.270 nan 0.000 0.468 472 L N -0.082 121.058 121.223 -0.139 0.000 2.472 472 L HA 0.914 5.251 4.340 -0.004 0.000 0.260 472 L C -1.245 175.274 176.870 -0.585 0.000 0.963 472 L CA -0.105 54.522 54.840 -0.355 0.000 0.829 472 L CB 2.583 44.583 42.059 -0.099 0.000 1.348 472 L HN 0.986 nan 8.230 nan 0.000 0.408 473 G N 1.656 109.783 108.800 -1.122 0.000 2.684 473 G HA2 0.500 4.457 3.960 -0.004 0.000 0.290 473 G HA3 0.500 4.457 3.960 -0.004 0.000 0.290 473 G C -2.680 171.926 174.900 -0.490 0.000 1.425 473 G CA -0.485 44.084 45.100 -0.886 0.000 0.822 473 G HN 0.552 nan 8.290 nan 0.000 0.482 474 Y N 0.886 121.023 120.300 -0.272 0.000 2.346 474 Y HA 0.459 5.007 4.550 -0.004 0.000 0.332 474 Y C -0.694 175.201 175.900 -0.008 0.000 0.985 474 Y CA -1.018 56.866 58.100 -0.359 0.000 1.112 474 Y CB 2.016 40.023 38.460 -0.755 0.000 1.170 474 Y HN 0.504 nan 8.280 nan 0.000 0.447 475 D N 5.458 125.673 120.400 -0.309 0.000 2.383 475 D HA 0.106 4.743 4.640 -0.004 0.000 0.252 475 D C 1.166 177.352 176.300 -0.191 0.000 1.166 475 D CA 0.533 54.517 54.000 -0.028 0.000 0.879 475 D CB 0.961 41.760 40.800 -0.001 0.000 1.164 475 D HN 0.765 nan 8.370 nan 0.000 0.462 476 I N 2.016 122.635 120.570 0.081 0.000 2.546 476 I HA -0.088 4.079 4.170 -0.004 0.000 0.255 476 I C 1.186 177.328 176.117 0.043 0.000 1.163 476 I CA 0.196 61.578 61.300 0.135 0.000 1.457 476 I CB -0.240 37.942 38.000 0.304 0.000 1.092 476 I HN 0.331 nan 8.210 nan 0.000 0.434 477 A N 0.906 123.596 122.820 -0.216 0.000 2.454 477 A HA 0.093 4.411 4.320 -0.004 0.000 0.260 477 A C 0.927 178.297 177.584 -0.356 0.000 1.106 477 A CA -0.169 51.515 52.037 -0.588 0.000 0.780 477 A CB 0.246 18.481 19.000 -1.275 0.000 1.044 477 A HN 0.355 nan 8.150 nan 0.000 0.498 478 Q N 0.456 120.102 119.800 -0.257 0.000 2.482 478 Q HA -0.054 4.284 4.340 -0.004 0.000 0.209 478 Q C -0.118 175.759 176.000 -0.205 0.000 0.961 478 Q CA 0.835 56.528 55.803 -0.182 0.000 0.945 478 Q CB 0.045 28.726 28.738 -0.095 0.000 1.012 478 Q HN 0.882 nan 8.270 nan 0.000 0.515 479 Q N -1.077 118.551 119.800 -0.286 0.000 2.394 479 Q HA 0.565 4.903 4.340 -0.004 0.000 0.261 479 Q C -0.194 175.648 176.000 -0.263 0.000 1.023 479 Q CA -0.326 55.315 55.803 -0.270 0.000 0.720 479 Q CB 1.536 30.075 28.738 -0.332 0.000 1.241 479 Q HN 0.024 nan 8.270 nan 0.000 0.483 480 A N 3.045 125.749 122.820 -0.193 0.000 2.178 480 A HA -0.160 4.158 4.320 -0.004 0.000 0.218 480 A C 0.966 178.453 177.584 -0.161 0.000 1.157 480 A CA 1.458 53.392 52.037 -0.173 0.000 0.689 480 A CB -0.131 18.750 19.000 -0.199 0.000 0.787 480 A HN 0.814 nan 8.150 nan 0.000 0.465 481 D N -1.184 119.101 120.400 -0.191 0.000 2.440 481 D HA 0.123 4.761 4.640 -0.004 0.000 0.216 481 D C 0.432 176.558 176.300 -0.291 0.000 1.150 481 D CA 0.137 54.020 54.000 -0.197 0.000 0.832 481 D CB -0.685 40.022 40.800 -0.155 0.000 0.992 481 D HN 0.102 nan 8.370 nan 0.000 0.502 482 S N 1.540 116.965 115.700 -0.458 0.000 2.558 482 S HA 0.078 4.546 4.470 -0.004 0.000 0.288 482 S C -1.481 172.662 174.600 -0.762 0.000 1.318 482 S CA -0.710 57.052 58.200 -0.730 0.000 1.056 482 S CB 1.192 63.649 63.200 -1.239 0.000 0.853 482 S HN -0.083 nan 8.310 nan 0.000 0.505 483 P HA 0.097 nan 4.420 nan 0.000 0.225 483 P C -0.275 176.530 177.300 -0.825 0.000 1.156 483 P CA 0.615 63.310 63.100 -0.675 0.000 0.787 483 P CB 0.075 31.391 31.700 -0.640 0.000 0.802 484 W N -0.393 120.439 121.300 -0.779 0.000 2.761 484 W HA 0.522 5.180 4.660 -0.004 0.000 0.340 484 W C -1.032 175.024 176.519 -0.772 0.000 1.072 484 W CA -0.549 56.460 57.345 -0.560 0.000 1.215 484 W CB 0.639 30.006 29.460 -0.155 0.000 1.420 484 W HN -0.129 nan 8.180 nan 0.000 0.519 485 H N 2.688 121.618 119.070 -0.233 0.000 2.717 485 H HA 0.617 5.170 4.556 -0.004 0.000 0.366 485 H C -1.383 174.020 175.328 0.125 0.000 1.132 485 H CA -0.862 54.895 56.048 -0.485 0.000 1.180 485 H CB 3.098 32.073 29.762 -1.311 0.000 1.678 485 H HN 0.349 nan 8.280 nan 0.000 0.537 486 L N 1.806 123.317 121.223 0.480 0.000 2.476 486 L HA 0.386 4.724 4.340 -0.004 0.000 0.269 486 L C -0.992 176.247 176.870 0.614 0.000 0.965 486 L CA -0.178 55.041 54.840 0.632 0.000 0.845 486 L CB 1.948 44.371 42.059 0.607 0.000 1.259 486 L HN 0.545 nan 8.230 nan 0.000 0.403 487 S N 6.233 122.341 115.700 0.680 0.000 2.736 487 S HA 0.786 5.254 4.470 -0.004 0.000 0.285 487 S C -2.903 172.024 174.600 0.546 0.000 1.163 487 S CA -1.018 57.560 58.200 0.631 0.000 1.025 487 S CB 1.602 65.346 63.200 0.906 0.000 1.030 487 S HN 0.401 nan 8.310 nan 0.000 0.486 488 P HA 0.489 nan 4.420 nan 0.000 0.275 488 P C -0.950 176.512 177.300 0.270 0.000 1.228 488 P CA -0.206 63.031 63.100 0.229 0.000 0.786 488 P CB 0.193 31.979 31.700 0.144 0.000 0.927 489 F N 0.043 120.060 119.950 0.112 0.000 2.686 489 F HA 0.719 5.244 4.527 -0.004 0.000 0.311 489 F C -1.387 174.432 175.800 0.032 0.000 1.128 489 F CA -1.635 56.369 58.000 0.007 0.000 0.946 489 F CB 0.796 39.807 39.000 0.018 0.000 1.336 489 F HN 0.206 nan 8.300 nan 0.000 0.457 490 V N 0.126 120.177 119.914 0.228 0.000 2.628 490 V HA 0.928 5.045 4.120 -0.004 0.000 0.306 490 V C -0.521 175.742 176.094 0.281 0.000 1.045 490 V CA -0.357 62.045 62.300 0.170 0.000 0.905 490 V CB 0.881 32.760 31.823 0.095 0.000 0.997 490 V HN 1.277 nan 8.190 nan 0.000 0.436 491 S N 2.360 118.209 115.700 0.248 0.000 2.600 491 S HA 0.991 5.458 4.470 -0.004 0.000 0.300 491 S C -0.344 174.343 174.600 0.145 0.000 1.087 491 S CA -0.275 58.052 58.200 0.212 0.000 0.965 491 S CB 1.896 65.248 63.200 0.254 0.000 1.089 491 S HN 2.206 nan 8.310 nan 0.000 0.496 492 A N 1.161 124.058 122.820 0.129 0.000 2.449 492 A HA 0.792 5.109 4.320 -0.004 0.000 0.302 492 A C -1.495 176.165 177.584 0.128 0.000 1.048 492 A CA -0.655 51.469 52.037 0.144 0.000 0.708 492 A CB 1.345 20.456 19.000 0.186 0.000 1.274 492 A HN 0.839 nan 8.150 nan 0.000 0.410 493 D N 0.545 121.032 120.400 0.145 0.000 2.964 493 D HA 0.392 5.029 4.640 -0.004 0.000 0.234 493 D C -1.970 174.444 176.300 0.190 0.000 1.223 493 D CA 0.140 54.213 54.000 0.122 0.000 0.889 493 D CB 2.199 43.025 40.800 0.044 0.000 1.609 493 D HN 0.508 nan 8.370 nan 0.000 0.523 494 Y N 1.234 121.578 120.300 0.073 0.000 2.446 494 Y HA 0.600 5.148 4.550 -0.004 0.000 0.345 494 Y C -1.501 174.303 175.900 -0.160 0.000 0.984 494 Y CA -0.605 57.476 58.100 -0.031 0.000 1.058 494 Y CB 1.829 40.267 38.460 -0.038 0.000 1.220 494 Y HN 0.448 nan 8.280 nan 0.000 0.455 495 A N 6.577 128.820 122.820 -0.962 0.000 2.456 495 A HA 0.547 4.864 4.320 -0.004 0.000 0.288 495 A C -1.676 175.394 177.584 -0.856 0.000 1.042 495 A CA -0.810 50.796 52.037 -0.718 0.000 0.738 495 A CB 1.158 20.025 19.000 -0.221 0.000 1.266 495 A HN 0.768 nan 8.150 nan 0.000 0.407 496 R N 2.841 122.823 120.500 -0.864 0.000 2.310 496 R HA 0.608 4.945 4.340 -0.004 0.000 0.324 496 R C -1.592 174.527 176.300 -0.301 0.000 0.955 496 R CA -0.257 55.565 56.100 -0.464 0.000 0.830 496 R CB 1.292 31.457 30.300 -0.225 0.000 1.154 496 R HN 0.483 nan 8.270 nan 0.000 0.458 497 V N 4.300 124.053 119.914 -0.267 0.000 2.435 497 V HA 0.258 4.375 4.120 -0.004 0.000 0.290 497 V C -0.422 175.550 176.094 -0.204 0.000 1.030 497 V CA -0.531 61.586 62.300 -0.306 0.000 0.881 497 V CB 1.607 33.141 31.823 -0.481 0.000 0.983 497 V HN 0.809 nan 8.190 nan 0.000 0.445 498 E N 4.555 124.582 120.200 -0.290 0.000 2.241 498 E HA 0.594 4.942 4.350 -0.004 0.000 0.263 498 E C -1.306 175.187 176.600 -0.178 0.000 0.882 498 E CA -0.693 55.559 56.400 -0.247 0.000 0.769 498 E CB 2.073 31.586 29.700 -0.312 0.000 1.185 498 E HN 0.510 nan 8.360 nan 0.000 0.415 499 V N 2.799 122.658 119.914 -0.092 0.000 2.417 499 V HA 0.459 4.577 4.120 -0.004 0.000 0.291 499 V C -0.816 175.273 176.094 -0.008 0.000 1.024 499 V CA -0.730 61.540 62.300 -0.050 0.000 0.861 499 V CB 1.361 33.065 31.823 -0.199 0.000 0.985 499 V HN 0.798 nan 8.190 nan 0.000 0.436 500 D N 4.822 125.262 120.400 0.067 0.000 2.472 500 D HA 0.261 4.899 4.640 -0.004 0.000 0.237 500 D C 0.754 177.136 176.300 0.137 0.000 1.141 500 D CA 1.096 55.161 54.000 0.109 0.000 0.875 500 D CB 1.319 42.208 40.800 0.148 0.000 1.192 500 D HN 0.934 nan 8.370 nan 0.000 0.450 501 G N 0.481 109.357 108.800 0.127 0.000 2.664 501 G HA2 0.390 4.348 3.960 -0.004 0.000 0.242 501 G HA3 0.390 4.348 3.960 -0.004 0.000 0.242 501 G C -0.707 174.357 174.900 0.273 0.000 1.225 501 G CA -0.093 45.096 45.100 0.149 0.000 0.849 501 G HN 0.576 nan 8.290 nan 0.000 0.581 502 Y N -2.458 117.912 120.300 0.118 0.000 2.713 502 Y HA 0.697 5.245 4.550 -0.004 0.000 0.335 502 Y C -0.615 175.348 175.900 0.105 0.000 1.222 502 Y CA -1.326 56.839 58.100 0.108 0.000 1.061 502 Y CB 1.154 39.681 38.460 0.111 0.000 1.314 502 Y HN 0.594 nan 8.280 nan 0.000 0.453 503 S N 1.149 116.930 115.700 0.135 0.000 2.456 503 S HA 0.347 4.815 4.470 -0.004 0.000 0.316 503 S C -0.928 173.761 174.600 0.149 0.000 1.089 503 S CA -0.617 57.577 58.200 -0.010 0.000 1.101 503 S CB 0.376 63.580 63.200 0.007 0.000 0.995 503 S HN 0.688 nan 8.310 nan 0.000 0.468 504 E N 3.142 123.382 120.200 0.068 0.000 2.437 504 E HA 0.038 4.386 4.350 -0.004 0.000 0.263 504 E C 0.040 176.720 176.600 0.134 0.000 1.030 504 E CA 0.102 56.620 56.400 0.197 0.000 0.934 504 E CB 0.470 30.265 29.700 0.158 0.000 0.943 504 E HN 0.426 nan 8.360 nan 0.000 0.444 505 K N 1.761 122.249 120.400 0.147 0.000 2.414 505 K HA 0.171 4.489 4.320 -0.004 0.000 0.272 505 K C 0.633 177.280 176.600 0.077 0.000 0.993 505 K CA 0.637 56.985 56.287 0.102 0.000 0.964 505 K CB 0.442 32.998 32.500 0.094 0.000 0.925 505 K HN 0.828 nan 8.250 nan 0.000 0.487 506 G N 0.908 109.743 108.800 0.058 0.000 2.645 506 G HA2 -0.112 3.846 3.960 -0.004 0.000 0.239 506 G HA3 -0.112 3.846 3.960 -0.004 0.000 0.239 506 G C -0.314 174.609 174.900 0.039 0.000 1.331 506 G CA -0.037 45.090 45.100 0.045 0.000 0.890 506 G HN 0.864 nan 8.290 nan 0.000 0.572 507 A N -0.883 121.958 122.820 0.036 0.000 2.897 507 A HA 0.786 5.103 4.320 -0.004 0.000 0.230 507 A C 0.740 178.345 177.584 0.036 0.000 0.896 507 A CA 1.345 53.400 52.037 0.030 0.000 1.114 507 A CB -0.401 18.612 19.000 0.021 0.000 1.230 507 A HN 2.485 nan 8.150 nan 0.000 0.481 508 S N -0.269 115.461 115.700 0.050 0.000 2.592 508 S HA 0.397 4.865 4.470 -0.004 0.000 0.256 508 S C 1.440 176.078 174.600 0.064 0.000 1.369 508 S CA 0.257 58.491 58.200 0.058 0.000 0.984 508 S CB 0.886 64.139 63.200 0.089 0.000 0.919 508 S HN 1.486 nan 8.310 nan 0.000 0.576 509 A N 0.698 123.549 122.820 0.050 0.000 2.067 509 A HA 0.062 4.380 4.320 -0.004 0.000 0.219 509 A C 2.138 179.840 177.584 0.195 0.000 1.158 509 A CA 1.470 53.540 52.037 0.055 0.000 0.661 509 A CB -1.358 17.563 19.000 -0.131 0.000 0.801 509 A HN 1.113 nan 8.150 nan 0.000 0.452 510 T N -2.976 111.694 114.554 0.194 0.000 3.040 510 T HA 0.549 4.896 4.350 -0.004 0.000 0.250 510 T C 0.750 175.528 174.700 0.130 0.000 1.058 510 T CA 0.332 62.566 62.100 0.222 0.000 0.988 510 T CB -0.180 68.865 68.868 0.295 0.000 0.993 510 T HN 0.532 nan 8.240 nan 0.000 0.519 511 A N 1.826 124.712 122.820 0.110 0.000 2.450 511 A HA 0.634 4.952 4.320 -0.004 0.000 0.255 511 A C -0.066 177.489 177.584 -0.048 0.000 1.096 511 A CA -0.388 51.684 52.037 0.059 0.000 0.778 511 A CB -0.083 18.951 19.000 0.056 0.000 1.031 511 A HN 0.571 nan 8.150 nan 0.000 0.494 512 L N 1.762 122.889 121.223 -0.160 0.000 2.330 512 L HA 0.468 4.805 4.340 -0.004 0.000 0.271 512 L C -0.499 175.956 176.870 -0.693 0.000 1.013 512 L CA -0.843 53.734 54.840 -0.438 0.000 0.816 512 L CB 1.952 43.652 42.059 -0.599 0.000 1.287 512 L HN 0.691 nan 8.230 nan 0.000 0.435 513 D N 0.879 120.863 120.400 -0.693 0.000 2.408 513 D HA 0.339 4.976 4.640 -0.004 0.000 0.243 513 D C -1.368 174.507 176.300 -0.709 0.000 1.075 513 D CA -0.193 53.442 54.000 -0.610 0.000 0.832 513 D CB 0.908 41.529 40.800 -0.297 0.000 1.162 513 D HN 0.114 nan 8.370 nan 0.000 0.515 514 Y N 1.410 121.495 120.300 -0.358 0.000 2.420 514 Y HA 0.365 4.912 4.550 -0.004 0.000 0.334 514 Y C 0.860 176.635 175.900 -0.207 0.000 1.094 514 Y CA -0.977 56.931 58.100 -0.322 0.000 1.126 514 Y CB 0.946 39.161 38.460 -0.410 0.000 1.217 514 Y HN 0.222 nan 8.280 nan 0.000 0.462 515 D N 0.715 121.114 120.400 -0.001 0.000 2.383 515 D HA 0.091 4.729 4.640 -0.004 0.000 0.248 515 D C -0.692 175.618 176.300 0.017 0.000 1.170 515 D CA -0.247 53.748 54.000 -0.008 0.000 0.977 515 D CB 0.511 41.294 40.800 -0.028 0.000 1.120 515 D HN 0.448 nan 8.370 nan 0.000 0.481 516 D N 0.756 121.170 120.400 0.025 0.000 2.449 516 D HA 0.013 4.651 4.640 -0.004 0.000 0.236 516 D C -0.061 176.241 176.300 0.003 0.000 1.149 516 D CA 0.676 54.694 54.000 0.030 0.000 0.878 516 D CB 0.446 41.274 40.800 0.047 0.000 1.198 516 D HN 0.152 nan 8.370 nan 0.000 0.446 517 Q N 1.026 120.816 119.800 -0.016 0.000 2.340 517 Q HA 0.391 4.729 4.340 -0.004 0.000 0.268 517 Q C -0.955 175.023 176.000 -0.037 0.000 1.031 517 Q CA -0.905 54.874 55.803 -0.041 0.000 0.804 517 Q CB 1.616 30.298 28.738 -0.094 0.000 1.286 517 Q HN 0.432 nan 8.270 nan 0.000 0.448 518 K N 1.585 121.975 120.400 -0.017 0.000 2.464 518 K HA 0.740 5.058 4.320 -0.004 0.000 0.253 518 K C -1.383 175.221 176.600 0.008 0.000 0.933 518 K CA -1.076 55.204 56.287 -0.012 0.000 0.801 518 K CB 2.357 34.867 32.500 0.017 0.000 1.271 518 K HN 0.471 nan 8.250 nan 0.000 0.430 519 R N 1.019 121.530 120.500 0.018 0.000 2.515 519 R HA 0.334 4.671 4.340 -0.004 0.000 0.291 519 R C -1.682 174.665 176.300 0.079 0.000 1.046 519 R CA -0.222 55.910 56.100 0.054 0.000 0.914 519 R CB 2.012 32.352 30.300 0.067 0.000 1.191 519 R HN 0.652 nan 8.270 nan 0.000 0.435 520 S N 1.803 117.504 115.700 0.001 0.000 2.565 520 S HA 0.599 5.066 4.470 -0.004 0.000 0.290 520 S C -1.046 173.463 174.600 -0.153 0.000 1.150 520 S CA -0.671 57.465 58.200 -0.106 0.000 1.058 520 S CB 1.677 64.859 63.200 -0.030 0.000 1.032 520 S HN 0.595 nan 8.310 nan 0.000 0.510 521 S N 1.906 117.443 115.700 -0.271 0.000 2.519 521 S HA 0.488 4.956 4.470 -0.004 0.000 0.309 521 S C -1.316 173.205 174.600 -0.130 0.000 1.100 521 S CA -0.814 57.258 58.200 -0.213 0.000 1.059 521 S CB 0.188 63.221 63.200 -0.277 0.000 1.008 521 S HN 0.575 nan 8.310 nan 0.000 0.478 522 K N 4.054 124.473 120.400 0.032 0.000 2.483 522 K HA 0.482 4.799 4.320 -0.004 0.000 0.256 522 K C -0.727 175.994 176.600 0.201 0.000 0.961 522 K CA -0.568 55.821 56.287 0.169 0.000 0.873 522 K CB 1.602 34.245 32.500 0.239 0.000 1.107 522 K HN 0.515 nan 8.250 nan 0.000 0.432 523 R N 3.176 123.771 120.500 0.160 0.000 2.621 523 R HA 0.517 4.855 4.340 -0.004 0.000 0.292 523 R C -0.807 175.594 176.300 0.169 0.000 0.969 523 R CA -0.883 55.295 56.100 0.129 0.000 0.887 523 R CB 1.620 31.925 30.300 0.008 0.000 1.180 523 R HN 0.316 nan 8.270 nan 0.000 0.450 524 L N 1.423 122.772 121.223 0.211 0.000 2.346 524 L HA 0.707 5.045 4.340 -0.004 0.000 0.276 524 L C 0.278 177.194 176.870 0.076 0.000 1.006 524 L CA -0.736 54.208 54.840 0.173 0.000 0.817 524 L CB 2.223 44.436 42.059 0.257 0.000 1.272 524 L HN 0.801 nan 8.230 nan 0.000 0.421 525 G N 1.434 110.277 108.800 0.071 0.000 2.574 525 G HA2 0.822 4.780 3.960 -0.004 0.000 0.299 525 G HA3 0.822 4.780 3.960 -0.004 0.000 0.299 525 G C -1.788 173.124 174.900 0.021 0.000 1.298 525 G CA -0.477 44.639 45.100 0.027 0.000 0.952 525 G HN 0.729 nan 8.290 nan 0.000 0.477 526 A N -0.728 122.059 122.820 -0.055 0.000 2.435 526 A HA 1.026 5.344 4.320 -0.004 0.000 0.304 526 A C 0.036 177.371 177.584 -0.416 0.000 1.064 526 A CA -0.052 51.871 52.037 -0.190 0.000 0.727 526 A CB 2.007 20.969 19.000 -0.063 0.000 1.284 526 A HN 2.071 nan 8.150 nan 0.000 0.415 527 G N -0.756 107.495 108.800 -0.915 0.000 2.600 527 G HA2 0.626 4.584 3.960 -0.004 0.000 0.293 527 G HA3 0.626 4.584 3.960 -0.004 0.000 0.293 527 G C -2.300 172.185 174.900 -0.691 0.000 1.408 527 G CA -0.495 44.046 45.100 -0.931 0.000 0.782 527 G HN 1.343 nan 8.290 nan 0.000 0.482 528 L N 0.446 121.645 121.223 -0.039 0.000 2.409 528 L HA 0.716 5.053 4.340 -0.004 0.000 0.272 528 L C -0.140 177.024 176.870 0.490 0.000 0.980 528 L CA -0.553 54.445 54.840 0.263 0.000 0.826 528 L CB 1.876 44.086 42.059 0.252 0.000 1.268 528 L HN 0.847 nan 8.230 nan 0.000 0.407 529 Q N 3.529 123.677 119.800 0.580 0.000 2.413 529 Q HA 0.965 5.302 4.340 -0.004 0.000 0.276 529 Q C -0.987 175.344 176.000 0.551 0.000 1.099 529 Q CA -0.827 55.261 55.803 0.474 0.000 0.814 529 Q CB 2.695 31.587 28.738 0.256 0.000 1.379 529 Q HN 0.785 nan 8.270 nan 0.000 0.436 530 G N 0.828 109.983 108.800 0.591 0.000 2.623 530 G HA2 0.594 4.551 3.960 -0.004 0.000 0.290 530 G HA3 0.594 4.551 3.960 -0.004 0.000 0.290 530 G C -1.971 173.270 174.900 0.569 0.000 1.437 530 G CA -0.782 44.714 45.100 0.660 0.000 0.798 530 G HN 0.888 nan 8.290 nan 0.000 0.488 531 K N -1.389 119.259 120.400 0.412 0.000 2.579 531 K HA 0.680 4.997 4.320 -0.004 0.000 0.284 531 K C -2.366 174.380 176.600 0.242 0.000 0.990 531 K CA -1.154 55.344 56.287 0.352 0.000 0.880 531 K CB 2.137 34.869 32.500 0.387 0.000 1.488 531 K HN 0.597 nan 8.250 nan 0.000 0.425 532 Y N 0.656 120.983 120.300 0.046 0.000 2.373 532 Y HA 0.602 5.150 4.550 -0.004 0.000 0.336 532 Y C -1.367 174.313 175.900 -0.367 0.000 0.979 532 Y CA -0.478 57.513 58.100 -0.182 0.000 1.080 532 Y CB 2.322 40.598 38.460 -0.307 0.000 1.190 532 Y HN 0.908 nan 8.280 nan 0.000 0.446 533 A N 5.371 127.814 122.820 -0.628 0.000 2.301 533 A HA 0.546 4.864 4.320 -0.004 0.000 0.298 533 A C -1.436 175.874 177.584 -0.457 0.000 1.185 533 A CA -0.395 51.415 52.037 -0.378 0.000 0.830 533 A CB -0.134 18.711 19.000 -0.258 0.000 1.112 533 A HN 0.705 nan 8.150 nan 0.000 0.508 534 F N 2.047 122.094 119.950 0.161 0.000 2.611 534 F HA 0.465 4.990 4.527 -0.004 0.000 0.321 534 F C 1.363 177.220 175.800 0.095 0.000 1.208 534 F CA 0.281 58.393 58.000 0.187 0.000 1.249 534 F CB 0.319 39.433 39.000 0.189 0.000 1.514 534 F HN 0.906 nan 8.300 nan 0.000 0.561 535 G N 1.056 109.933 108.800 0.128 0.000 2.546 535 G HA2 -0.104 3.853 3.960 -0.004 0.000 0.285 535 G HA3 -0.104 3.853 3.960 -0.004 0.000 0.285 535 G C 0.731 175.678 174.900 0.079 0.000 1.105 535 G CA 0.306 45.457 45.100 0.086 0.000 1.189 535 G HN 1.257 nan 8.290 nan 0.000 0.534 536 S N -2.105 113.622 115.700 0.045 0.000 2.879 536 S HA -0.347 4.121 4.470 -0.004 0.000 0.280 536 S C 1.033 175.679 174.600 0.077 0.000 1.317 536 S CA 2.486 60.713 58.200 0.044 0.000 1.310 536 S CB -1.086 62.130 63.200 0.026 0.000 1.616 536 S HN 0.769 nan 8.310 nan 0.000 0.717 537 D N 0.811 121.276 120.400 0.108 0.000 2.431 537 D HA 0.274 4.912 4.640 -0.004 0.000 0.227 537 D C 0.796 177.194 176.300 0.163 0.000 1.030 537 D CA 1.522 55.593 54.000 0.119 0.000 0.897 537 D CB 1.036 41.897 40.800 0.102 0.000 1.058 537 D HN 0.648 nan 8.370 nan 0.000 0.500 538 T N -0.014 114.669 114.554 0.215 0.000 2.912 538 T HA 0.548 4.895 4.350 -0.004 0.000 0.299 538 T C -1.839 173.091 174.700 0.383 0.000 1.052 538 T CA -0.605 61.670 62.100 0.292 0.000 0.996 538 T CB 1.640 70.663 68.868 0.258 0.000 1.070 538 T HN 0.016 nan 8.240 nan 0.000 0.465 539 Q N 3.392 123.435 119.800 0.405 0.000 2.418 539 Q HA 0.737 5.074 4.340 -0.004 0.000 0.282 539 Q C -1.761 174.510 176.000 0.452 0.000 1.044 539 Q CA -1.220 54.821 55.803 0.396 0.000 0.813 539 Q CB 2.156 31.066 28.738 0.285 0.000 1.428 539 Q HN 0.564 nan 8.270 nan 0.000 0.402 540 L N 2.426 123.899 121.223 0.417 0.000 2.386 540 L HA 0.751 5.088 4.340 -0.004 0.000 0.271 540 L C -1.105 175.945 176.870 0.301 0.000 0.993 540 L CA -0.929 54.069 54.840 0.263 0.000 0.819 540 L CB 1.269 43.526 42.059 0.330 0.000 1.294 540 L HN 0.746 nan 8.230 nan 0.000 0.414 541 F N 0.857 120.946 119.950 0.232 0.000 2.613 541 F HA 0.986 5.510 4.527 -0.004 0.000 0.314 541 F C -0.463 175.464 175.800 0.211 0.000 1.075 541 F CA -0.945 57.189 58.000 0.223 0.000 0.945 541 F CB 1.789 40.914 39.000 0.208 0.000 1.310 541 F HN 0.482 nan 8.300 nan 0.000 0.467 542 A N 1.318 124.379 122.820 0.403 0.000 2.602 542 A HA 0.840 5.157 4.320 -0.004 0.000 0.290 542 A C -1.593 176.196 177.584 0.342 0.000 1.114 542 A CA -0.635 51.586 52.037 0.306 0.000 0.683 542 A CB 2.105 21.240 19.000 0.224 0.000 1.281 542 A HN 1.090 nan 8.150 nan 0.000 0.416 543 E N -0.508 119.881 120.200 0.314 0.000 2.390 543 E HA 0.591 4.939 4.350 -0.004 0.000 0.280 543 E C -1.877 174.946 176.600 0.371 0.000 0.992 543 E CA -0.710 55.903 56.400 0.354 0.000 0.790 543 E CB 1.628 31.529 29.700 0.336 0.000 1.248 543 E HN 1.014 nan 8.360 nan 0.000 0.447 544 Y N 1.726 122.181 120.300 0.258 0.000 2.446 544 Y HA 0.795 5.342 4.550 -0.004 0.000 0.345 544 Y C -1.659 174.361 175.900 0.200 0.000 0.984 544 Y CA -0.529 57.700 58.100 0.216 0.000 1.058 544 Y CB 2.097 40.659 38.460 0.169 0.000 1.220 544 Y HN 0.910 nan 8.280 nan 0.000 0.455 545 A N 4.097 126.425 122.820 -0.820 0.000 2.515 545 A HA 0.548 4.866 4.320 -0.004 0.000 0.298 545 A C -2.292 174.857 177.584 -0.724 0.000 1.059 545 A CA -0.677 50.978 52.037 -0.637 0.000 0.698 545 A CB 0.976 19.919 19.000 -0.095 0.000 1.289 545 A HN 0.947 nan 8.150 nan 0.000 0.404 546 H N 0.875 119.651 119.070 -0.491 0.000 2.539 546 H HA 0.629 5.183 4.556 -0.004 0.000 0.332 546 H C -0.574 174.674 175.328 -0.133 0.000 1.031 546 H CA -0.123 55.796 56.048 -0.215 0.000 1.206 546 H CB 0.963 30.710 29.762 -0.025 0.000 1.446 546 H HN 0.661 nan 8.280 nan 0.000 0.496 547 E N 3.757 123.604 120.200 -0.588 0.000 2.235 547 E HA 0.421 4.769 4.350 -0.004 0.000 0.265 547 E C -0.553 175.663 176.600 -0.640 0.000 0.940 547 E CA -1.410 54.724 56.400 -0.443 0.000 0.819 547 E CB 2.080 31.637 29.700 -0.238 0.000 1.206 547 E HN 0.328 nan 8.360 nan 0.000 0.409 548 R N 1.813 122.043 120.500 -0.450 0.000 2.437 548 R HA 0.213 4.551 4.340 -0.004 0.000 0.310 548 R C -0.892 175.125 176.300 -0.471 0.000 0.955 548 R CA -0.530 55.218 56.100 -0.587 0.000 0.851 548 R CB 1.386 31.316 30.300 -0.617 0.000 1.161 548 R HN 0.548 nan 8.270 nan 0.000 0.446 549 E N 3.351 123.293 120.200 -0.431 0.000 2.229 549 E HA 0.071 4.418 4.350 -0.004 0.000 0.283 549 E C -0.092 176.294 176.600 -0.356 0.000 1.030 549 E CA -0.074 56.163 56.400 -0.272 0.000 0.836 549 E CB 0.877 30.470 29.700 -0.179 0.000 1.068 549 E HN 0.510 nan 8.360 nan 0.000 0.401 550 Y N 0.841 121.115 120.300 -0.043 0.000 2.497 550 Y HA 0.058 4.606 4.550 -0.004 0.000 0.265 550 Y C 0.799 176.695 175.900 -0.007 0.000 1.111 550 Y CA 0.101 58.192 58.100 -0.016 0.000 1.288 550 Y CB 0.842 39.304 38.460 0.005 0.000 1.082 550 Y HN 0.263 nan 8.280 nan 0.000 0.536 551 E N 1.881 122.139 120.200 0.095 0.000 2.127 551 E HA 0.056 4.404 4.350 -0.004 0.000 0.262 551 E C -0.524 176.072 176.600 -0.006 0.000 1.144 551 E CA 0.087 56.517 56.400 0.051 0.000 1.144 551 E CB -0.060 29.663 29.700 0.038 0.000 1.297 551 E HN 0.508 nan 8.360 nan 0.000 0.469 552 D N -0.173 120.220 120.400 -0.012 0.000 2.670 552 D HA 0.087 4.725 4.640 -0.004 0.000 0.255 552 D C -0.347 175.927 176.300 -0.043 0.000 1.286 552 D CA -0.522 53.448 54.000 -0.049 0.000 0.830 552 D CB 0.104 40.865 40.800 -0.064 0.000 1.065 552 D HN -0.126 nan 8.370 nan 0.000 0.486 553 D N 0.414 120.802 120.400 -0.020 0.000 2.304 553 D HA 0.178 4.816 4.640 -0.004 0.000 0.247 553 D C 0.264 176.542 176.300 -0.037 0.000 1.089 553 D CA -0.004 53.986 54.000 -0.016 0.000 0.910 553 D CB 1.032 41.838 40.800 0.010 0.000 1.199 553 D HN -0.099 nan 8.370 nan 0.000 0.426 554 T N 3.226 117.755 114.554 -0.042 0.000 2.902 554 T HA 0.029 4.377 4.350 -0.004 0.000 0.301 554 T C 0.534 175.228 174.700 -0.010 0.000 1.012 554 T CA -0.368 61.701 62.100 -0.052 0.000 1.151 554 T CB 0.369 69.208 68.868 -0.048 0.000 0.946 554 T HN 0.105 nan 8.240 nan 0.000 0.542 555 Q N 2.549 122.349 119.800 -0.001 0.000 2.317 555 Q HA 0.413 4.751 4.340 -0.004 0.000 0.229 555 Q C -0.154 175.866 176.000 0.034 0.000 0.984 555 Q CA -0.428 55.390 55.803 0.026 0.000 0.911 555 Q CB 1.040 29.804 28.738 0.043 0.000 1.217 555 Q HN 0.853 nan 8.270 nan 0.000 0.501 556 D N -0.937 119.484 120.400 0.036 0.000 2.570 556 D HA 0.559 5.197 4.640 -0.004 0.000 0.244 556 D C -1.455 174.859 176.300 0.023 0.000 1.178 556 D CA -0.784 53.245 54.000 0.048 0.000 0.881 556 D CB 1.016 41.863 40.800 0.080 0.000 1.453 556 D HN 0.219 nan 8.370 nan 0.000 0.447 557 L N 0.039 121.275 121.223 0.020 0.000 2.385 557 L HA 0.653 4.991 4.340 -0.004 0.000 0.273 557 L C -0.929 175.921 176.870 -0.033 0.000 0.990 557 L CA 0.015 54.846 54.840 -0.015 0.000 0.821 557 L CB 2.234 44.272 42.059 -0.036 0.000 1.279 557 L HN 0.606 nan 8.230 nan 0.000 0.412 558 T N 6.724 121.241 114.554 -0.061 0.000 2.837 558 T HA 0.785 5.132 4.350 -0.004 0.000 0.285 558 T C -0.188 174.378 174.700 -0.224 0.000 0.984 558 T CA -0.380 61.639 62.100 -0.135 0.000 1.049 558 T CB 0.876 69.692 68.868 -0.087 0.000 0.947 558 T HN 0.722 nan 8.240 nan 0.000 0.472 559 M N 0.674 119.989 119.600 -0.475 0.000 2.880 559 M HA 0.749 5.226 4.480 -0.004 0.000 0.269 559 M C -1.609 174.194 176.300 -0.829 0.000 1.248 559 M CA -0.973 53.981 55.300 -0.576 0.000 0.821 559 M CB 2.093 34.382 32.600 -0.518 0.000 1.650 559 M HN 0.599 nan 8.290 nan 0.000 0.479 560 S N 0.602 115.982 115.700 -0.534 0.000 2.579 560 S HA 0.740 5.208 4.470 -0.004 0.000 0.272 560 S C -1.252 173.282 174.600 -0.111 0.000 1.141 560 S CA -0.880 57.177 58.200 -0.239 0.000 0.843 560 S CB 1.769 64.898 63.200 -0.117 0.000 1.122 560 S HN 0.705 nan 8.310 nan 0.000 0.468 561 L N 3.156 124.424 121.223 0.074 0.000 2.453 561 L HA 0.339 4.677 4.340 -0.004 0.000 0.272 561 L C 1.619 178.475 176.870 -0.023 0.000 1.182 561 L CA 0.097 54.950 54.840 0.021 0.000 0.858 561 L CB -0.271 41.828 42.059 0.066 0.000 1.120 561 L HN 0.723 nan 8.230 nan 0.000 0.474 562 N N 0.638 119.309 118.700 -0.048 0.000 2.137 562 N HA -0.186 4.551 4.740 -0.004 0.000 0.190 562 N C 1.678 177.186 175.510 -0.003 0.000 1.017 562 N CA 1.536 54.565 53.050 -0.035 0.000 0.859 562 N CB -0.098 38.373 38.487 -0.026 0.000 1.002 562 N HN 0.786 nan 8.380 nan 0.000 0.428 563 S N -0.648 115.062 115.700 0.016 0.000 2.522 563 S HA 0.075 4.542 4.470 -0.004 0.000 0.227 563 S C 0.773 175.389 174.600 0.027 0.000 0.986 563 S CA 0.248 58.463 58.200 0.025 0.000 0.929 563 S CB 0.006 63.227 63.200 0.036 0.000 0.769 563 S HN 0.198 nan 8.310 nan 0.000 0.529 564 L N 1.123 122.363 121.223 0.028 0.000 2.502 564 L HA 0.387 4.725 4.340 -0.004 0.000 0.249 564 L C -2.436 174.450 176.870 0.028 0.000 1.446 564 L CA -1.507 53.353 54.840 0.033 0.000 0.887 564 L CB 1.872 43.959 42.059 0.045 0.000 1.126 564 L HN -0.031 nan 8.230 nan 0.000 0.509 565 P HA -0.072 nan 4.420 nan 0.000 0.223 565 P C 1.457 178.758 177.300 0.001 0.000 1.151 565 P CA 0.756 63.853 63.100 -0.004 0.000 0.787 565 P CB 0.358 32.055 31.700 -0.006 0.000 0.788 566 G N -1.230 107.578 108.800 0.013 0.000 3.042 566 G HA2 -0.024 3.933 3.960 -0.004 0.000 0.212 566 G HA3 -0.024 3.933 3.960 -0.004 0.000 0.212 566 G C 0.097 175.014 174.900 0.027 0.000 1.166 566 G CA -0.132 44.977 45.100 0.014 0.000 0.767 566 G HN 0.286 nan 8.290 nan 0.000 0.546 567 N N 0.613 119.343 118.700 0.050 0.000 2.776 567 N HA 0.376 5.113 4.740 -0.004 0.000 0.245 567 N C -0.468 175.143 175.510 0.168 0.000 1.121 567 N CA -0.486 52.620 53.050 0.092 0.000 0.852 567 N CB 1.178 39.718 38.487 0.089 0.000 1.142 567 N HN 0.128 nan 8.380 nan 0.000 0.514 568 R N 1.476 122.036 120.500 0.101 0.000 2.428 568 R HA 0.607 4.944 4.340 -0.004 0.000 0.294 568 R C -0.629 175.750 176.300 0.131 0.000 1.000 568 R CA -0.624 55.485 56.100 0.016 0.000 0.960 568 R CB 0.863 31.122 30.300 -0.068 0.000 1.076 568 R HN 0.384 nan 8.270 nan 0.000 0.475 569 F N -2.175 117.769 119.950 -0.010 0.000 2.629 569 F HA 0.655 5.179 4.527 -0.004 0.000 0.316 569 F C -0.803 175.020 175.800 0.039 0.000 1.081 569 F CA -1.133 56.877 58.000 0.017 0.000 0.954 569 F CB 1.909 40.923 39.000 0.023 0.000 1.337 569 F HN 0.161 nan 8.300 nan 0.000 0.474 570 T N 2.866 117.552 114.554 0.221 0.000 2.841 570 T HA 0.680 5.027 4.350 -0.004 0.000 0.285 570 T C -0.780 174.114 174.700 0.322 0.000 0.991 570 T CA -0.509 61.682 62.100 0.151 0.000 0.966 570 T CB 1.276 70.207 68.868 0.105 0.000 0.962 570 T HN 0.554 nan 8.240 nan 0.000 0.438 571 L N 1.884 123.258 121.223 0.253 0.000 2.323 571 L HA 0.579 4.917 4.340 -0.004 0.000 0.265 571 L C 0.422 177.399 176.870 0.177 0.000 1.012 571 L CA -1.192 53.815 54.840 0.279 0.000 0.820 571 L CB 1.881 44.066 42.059 0.211 0.000 1.334 571 L HN 0.502 nan 8.230 nan 0.000 0.427 572 E N 0.034 120.317 120.200 0.138 0.000 2.349 572 E HA 0.461 4.808 4.350 -0.004 0.000 0.265 572 E C -0.231 176.427 176.600 0.096 0.000 1.064 572 E CA -0.071 56.380 56.400 0.086 0.000 0.886 572 E CB 1.708 31.418 29.700 0.016 0.000 1.036 572 E HN 0.765 nan 8.360 nan 0.000 0.413 573 G N 0.750 109.586 108.800 0.060 0.000 3.214 573 G HA2 0.079 4.037 3.960 -0.004 0.000 0.188 573 G HA3 0.079 4.037 3.960 -0.004 0.000 0.188 573 G C -1.320 173.597 174.900 0.028 0.000 1.126 573 G CA -0.607 44.540 45.100 0.078 0.000 0.796 573 G HN 0.488 nan 8.290 nan 0.000 0.631 574 Y N 1.585 121.829 120.300 -0.092 0.000 2.810 574 Y HA 0.311 4.858 4.550 -0.004 0.000 0.332 574 Y C 0.292 176.132 175.900 -0.101 0.000 1.243 574 Y CA 0.622 58.646 58.100 -0.126 0.000 1.537 574 Y CB 0.432 38.794 38.460 -0.164 0.000 1.265 574 Y HN 0.193 nan 8.280 nan 0.000 0.572 575 T N 9.586 123.724 114.554 -0.693 0.000 2.770 575 T HA 0.285 4.633 4.350 -0.004 0.000 0.297 575 T C -2.650 171.568 174.700 -0.803 0.000 0.997 575 T CA -1.479 60.295 62.100 -0.545 0.000 0.949 575 T CB 0.939 69.597 68.868 -0.350 0.000 0.941 575 T HN 0.405 nan 8.240 nan 0.000 0.457 576 P HA 0.115 nan 4.420 nan 0.000 0.267 576 P C -0.038 177.140 177.300 -0.202 0.000 1.205 576 P CA -0.352 62.603 63.100 -0.241 0.000 0.765 576 P CB 0.491 32.154 31.700 -0.063 0.000 0.828 577 Q N 2.410 122.124 119.800 -0.142 0.000 2.368 577 Q HA 0.078 4.416 4.340 -0.004 0.000 0.237 577 Q C 0.804 176.768 176.000 -0.060 0.000 0.987 577 Q CA 0.153 55.907 55.803 -0.080 0.000 0.896 577 Q CB 0.393 29.112 28.738 -0.032 0.000 1.241 577 Q HN 0.497 nan 8.270 nan 0.000 0.485 578 D N -1.304 119.085 120.400 -0.018 0.000 2.339 578 D HA -0.028 4.609 4.640 -0.004 0.000 0.217 578 D C -0.171 176.039 176.300 -0.149 0.000 1.050 578 D CA 0.513 54.467 54.000 -0.075 0.000 0.856 578 D CB 0.270 41.044 40.800 -0.043 0.000 0.922 578 D HN 0.338 nan 8.370 nan 0.000 0.518 579 H N -0.152 118.842 119.070 -0.126 0.000 2.600 579 H HA 0.530 5.083 4.556 -0.004 0.000 0.357 579 H C -0.918 174.320 175.328 -0.149 0.000 1.106 579 H CA -1.056 54.906 56.048 -0.144 0.000 1.193 579 H CB 2.433 32.198 29.762 0.006 0.000 1.594 579 H HN -0.000 nan 8.280 nan 0.000 0.526 580 L N 1.167 122.289 121.223 -0.169 0.000 2.434 580 L HA 0.577 4.915 4.340 -0.004 0.000 0.260 580 L C -1.250 175.549 176.870 -0.118 0.000 0.983 580 L CA -0.805 53.958 54.840 -0.128 0.000 0.820 580 L CB 1.920 43.885 42.059 -0.156 0.000 1.361 580 L HN 0.398 nan 8.230 nan 0.000 0.410 581 N N 1.625 120.292 118.700 -0.055 0.000 2.258 581 N HA 0.725 5.462 4.740 -0.004 0.000 0.299 581 N C -1.342 174.144 175.510 -0.040 0.000 1.047 581 N CA -0.629 52.456 53.050 0.057 0.000 0.814 581 N CB 2.456 41.143 38.487 0.335 0.000 1.413 581 N HN 0.763 nan 8.380 nan 0.000 0.478 582 R N -0.509 120.006 120.500 0.024 0.000 2.673 582 R HA 0.750 5.087 4.340 -0.004 0.000 0.281 582 R C -0.812 175.675 176.300 0.311 0.000 0.991 582 R CA -1.121 55.039 56.100 0.100 0.000 0.896 582 R CB 1.611 31.895 30.300 -0.026 0.000 1.201 582 R HN 0.275 nan 8.270 nan 0.000 0.457 583 V N -1.528 118.657 119.914 0.450 0.000 2.735 583 V HA 0.795 4.913 4.120 -0.004 0.000 0.310 583 V C -0.572 175.668 176.094 0.243 0.000 1.061 583 V CA -0.594 61.937 62.300 0.384 0.000 0.913 583 V CB 2.146 34.208 31.823 0.398 0.000 1.005 583 V HN 0.755 nan 8.190 nan 0.000 0.428 584 S N 4.767 120.594 115.700 0.211 0.000 2.532 584 S HA 0.816 5.284 4.470 -0.004 0.000 0.299 584 S C -0.683 174.030 174.600 0.189 0.000 1.105 584 S CA -0.620 57.672 58.200 0.153 0.000 1.018 584 S CB 1.381 64.657 63.200 0.127 0.000 1.021 584 S HN 0.763 nan 8.310 nan 0.000 0.483 585 L N 2.015 123.346 121.223 0.179 0.000 2.342 585 L HA 0.958 5.295 4.340 -0.004 0.000 0.271 585 L C 0.424 177.281 176.870 -0.022 0.000 1.008 585 L CA -0.700 54.205 54.840 0.107 0.000 0.818 585 L CB 2.122 44.279 42.059 0.163 0.000 1.296 585 L HN 0.811 nan 8.230 nan 0.000 0.427 586 G N 1.208 109.772 108.800 -0.394 0.000 2.677 586 G HA2 0.699 4.657 3.960 -0.004 0.000 0.291 586 G HA3 0.699 4.657 3.960 -0.004 0.000 0.291 586 G C -1.905 172.343 174.900 -1.087 0.000 1.435 586 G CA -0.448 44.178 45.100 -0.790 0.000 0.826 586 G HN 0.501 nan 8.290 nan 0.000 0.491 587 F N -0.929 118.663 119.950 -0.597 0.000 2.613 587 F HA 0.890 5.415 4.527 -0.004 0.000 0.310 587 F C -0.666 175.255 175.800 0.202 0.000 1.085 587 F CA -1.496 56.386 58.000 -0.198 0.000 0.945 587 F CB 2.124 41.087 39.000 -0.061 0.000 1.298 587 F HN 0.589 nan 8.300 nan 0.000 0.455 588 S N 1.579 117.559 115.700 0.467 0.000 2.557 588 S HA 0.581 5.049 4.470 -0.004 0.000 0.291 588 S C -1.715 173.133 174.600 0.414 0.000 1.116 588 S CA -0.359 58.045 58.200 0.340 0.000 0.992 588 S CB 1.445 64.820 63.200 0.290 0.000 1.028 588 S HN 0.885 nan 8.310 nan 0.000 0.484 589 Q N 3.548 123.580 119.800 0.385 0.000 2.309 589 Q HA 0.416 4.754 4.340 -0.004 0.000 0.270 589 Q C -1.242 174.879 176.000 0.202 0.000 1.023 589 Q CA -0.420 55.560 55.803 0.295 0.000 0.758 589 Q CB 1.043 29.960 28.738 0.298 0.000 1.247 589 Q HN 0.594 nan 8.270 nan 0.000 0.455 590 K N 4.185 124.679 120.400 0.156 0.000 2.451 590 K HA 0.115 4.433 4.320 -0.004 0.000 0.280 590 K C 0.238 176.899 176.600 0.102 0.000 1.020 590 K CA 0.209 56.567 56.287 0.118 0.000 1.008 590 K CB 0.595 33.153 32.500 0.098 0.000 0.917 590 K HN 0.739 nan 8.250 nan 0.000 0.478 591 L N 1.852 123.130 121.223 0.091 0.000 2.556 591 L HA 0.237 4.575 4.340 -0.004 0.000 0.226 591 L C 0.526 177.431 176.870 0.057 0.000 1.089 591 L CA -0.108 54.777 54.840 0.075 0.000 0.864 591 L CB 0.364 42.469 42.059 0.076 0.000 1.067 591 L HN 0.658 nan 8.230 nan 0.000 0.477 592 A N -0.970 121.884 122.820 0.057 0.000 2.567 592 A HA 0.581 4.898 4.320 -0.004 0.000 0.291 592 A C -2.811 174.800 177.584 0.046 0.000 1.048 592 A CA -0.881 51.182 52.037 0.044 0.000 0.661 592 A CB 0.304 19.325 19.000 0.034 0.000 1.288 592 A HN -0.242 nan 8.150 nan 0.000 0.424 593 P HA 0.260 nan 4.420 nan 0.000 0.262 593 P C 0.039 177.362 177.300 0.038 0.000 1.182 593 P CA 1.260 64.383 63.100 0.038 0.000 0.761 593 P CB 0.228 31.946 31.700 0.030 0.000 0.795 594 E N -0.749 119.480 120.200 0.048 0.000 4.202 594 E HA -0.234 4.114 4.350 -0.004 0.000 0.388 594 E C -0.076 176.560 176.600 0.060 0.000 0.580 594 E CA 0.509 56.940 56.400 0.051 0.000 1.386 594 E CB -1.309 28.407 29.700 0.026 0.000 1.836 594 E HN 0.226 nan 8.360 nan 0.000 0.378 595 L N 1.222 122.481 121.223 0.062 0.000 2.372 595 L HA 0.501 4.838 4.340 -0.004 0.000 0.273 595 L C -0.983 175.941 176.870 0.090 0.000 0.989 595 L CA -0.187 54.695 54.840 0.071 0.000 0.841 595 L CB 2.090 44.181 42.059 0.053 0.000 1.225 595 L HN -0.048 nan 8.230 nan 0.000 0.414 596 S N 4.665 120.429 115.700 0.106 0.000 2.472 596 S HA 0.679 5.146 4.470 -0.004 0.000 0.303 596 S C -0.942 173.729 174.600 0.119 0.000 1.099 596 S CA -0.485 57.786 58.200 0.118 0.000 1.077 596 S CB 1.672 64.942 63.200 0.117 0.000 1.031 596 S HN 0.619 nan 8.310 nan 0.000 0.487 597 L N 3.930 125.240 121.223 0.144 0.000 2.289 597 L HA 0.613 4.950 4.340 -0.004 0.000 0.285 597 L C -0.440 176.468 176.870 0.062 0.000 1.049 597 L CA 0.205 55.133 54.840 0.146 0.000 0.804 597 L CB 0.553 42.748 42.059 0.226 0.000 1.195 597 L HN 0.623 nan 8.230 nan 0.000 0.428 598 R N 3.141 123.573 120.500 -0.113 0.000 2.686 598 R HA 0.815 5.153 4.340 -0.004 0.000 0.283 598 R C -0.747 175.178 176.300 -0.624 0.000 0.978 598 R CA -0.750 55.087 56.100 -0.438 0.000 0.897 598 R CB 2.113 32.308 30.300 -0.176 0.000 1.192 598 R HN 0.862 nan 8.270 nan 0.000 0.457 599 G N -0.029 108.048 108.800 -1.205 0.000 2.563 599 G HA2 0.693 4.651 3.960 -0.004 0.000 0.302 599 G HA3 0.693 4.651 3.960 -0.004 0.000 0.302 599 G C -1.191 173.559 174.900 -0.250 0.000 1.301 599 G CA -0.897 43.862 45.100 -0.568 0.000 0.965 599 G HN 0.643 nan 8.290 nan 0.000 0.480 600 G N -1.056 107.733 108.800 -0.018 0.000 2.667 600 G HA2 0.574 4.532 3.960 -0.004 0.000 0.298 600 G HA3 0.574 4.532 3.960 -0.004 0.000 0.298 600 G C -2.163 172.836 174.900 0.164 0.000 1.377 600 G CA -0.645 44.490 45.100 0.059 0.000 0.964 600 G HN 0.828 nan 8.290 nan 0.000 0.493 601 Y N 1.790 122.124 120.300 0.056 0.000 2.391 601 Y HA 0.611 5.158 4.550 -0.004 0.000 0.341 601 Y C -0.847 175.116 175.900 0.105 0.000 0.965 601 Y CA -1.278 56.870 58.100 0.080 0.000 1.067 601 Y CB 1.816 40.325 38.460 0.082 0.000 1.199 601 Y HN 0.464 nan 8.280 nan 0.000 0.450 602 N N 4.838 123.094 118.700 -0.740 0.000 2.269 602 N HA 0.222 4.959 4.740 -0.004 0.000 0.304 602 N C -2.198 172.909 175.510 -0.673 0.000 1.072 602 N CA -0.458 52.270 53.050 -0.537 0.000 0.802 602 N CB 2.368 40.718 38.487 -0.227 0.000 1.348 602 N HN 0.855 nan 8.380 nan 0.000 0.484 603 W N 2.989 123.999 121.300 -0.483 0.000 2.647 603 W HA 0.406 5.063 4.660 -0.004 0.000 0.328 603 W C -1.043 175.419 176.519 -0.095 0.000 1.018 603 W CA -0.611 56.590 57.345 -0.241 0.000 1.245 603 W CB 0.875 30.303 29.460 -0.053 0.000 1.356 603 W HN 0.338 nan 8.180 nan 0.000 0.443 604 R N 4.693 124.763 120.500 -0.717 0.000 2.534 604 R HA 0.481 4.819 4.340 -0.004 0.000 0.301 604 R C -1.172 174.559 176.300 -0.949 0.000 0.961 604 R CA -1.228 54.446 56.100 -0.710 0.000 0.871 604 R CB 2.120 32.199 30.300 -0.369 0.000 1.170 604 R HN 0.164 nan 8.270 nan 0.000 0.446 605 K N 1.209 121.063 120.400 -0.910 0.000 2.502 605 K HA 0.463 4.781 4.320 -0.004 0.000 0.254 605 K C -0.656 175.785 176.600 -0.265 0.000 0.947 605 K CA -0.358 55.549 56.287 -0.634 0.000 0.834 605 K CB 1.868 33.941 32.500 -0.711 0.000 1.112 605 K HN 0.737 nan 8.250 nan 0.000 0.427 606 G N 1.369 110.077 108.800 -0.153 0.000 2.613 606 G HA2 0.152 4.109 3.960 -0.004 0.000 0.303 606 G HA3 0.152 4.109 3.960 -0.004 0.000 0.303 606 G C -0.000 174.906 174.900 0.010 0.000 1.312 606 G CA -0.426 44.648 45.100 -0.043 0.000 1.036 606 G HN 0.742 nan 8.290 nan 0.000 0.513 607 E N -1.034 119.193 120.200 0.044 0.000 2.150 607 E HA -0.096 4.252 4.350 -0.004 0.000 0.193 607 E C 0.297 176.983 176.600 0.142 0.000 0.985 607 E CA 0.985 57.428 56.400 0.071 0.000 0.814 607 E CB 0.211 29.944 29.700 0.056 0.000 0.752 607 E HN 0.382 nan 8.360 nan 0.000 0.466 608 D N 0.868 121.358 120.400 0.150 0.000 2.538 608 D HA 0.071 4.709 4.640 -0.004 0.000 0.231 608 D C -0.593 175.845 176.300 0.230 0.000 1.229 608 D CA 0.150 54.300 54.000 0.249 0.000 0.828 608 D CB 0.441 41.340 40.800 0.165 0.000 1.035 608 D HN 0.231 nan 8.370 nan 0.000 0.495 609 D N -1.086 119.379 120.400 0.108 0.000 2.683 609 D HA 0.171 4.809 4.640 -0.004 0.000 0.246 609 D C -1.112 175.108 176.300 -0.134 0.000 1.238 609 D CA -0.353 53.641 54.000 -0.010 0.000 0.759 609 D CB 1.280 42.074 40.800 -0.010 0.000 1.349 609 D HN -0.281 nan 8.370 nan 0.000 0.426 610 T N 0.841 115.265 114.554 -0.216 0.000 2.928 610 T HA 0.493 4.841 4.350 -0.004 0.000 0.296 610 T C -0.689 173.836 174.700 -0.291 0.000 1.000 610 T CA -0.662 61.283 62.100 -0.259 0.000 0.989 610 T CB 1.815 70.613 68.868 -0.116 0.000 1.005 610 T HN 0.330 nan 8.240 nan 0.000 0.442 611 Q N 1.819 121.424 119.800 -0.325 0.000 2.342 611 Q HA 0.650 4.988 4.340 -0.004 0.000 0.267 611 Q C -0.840 175.044 176.000 -0.194 0.000 1.038 611 Q CA -0.899 54.756 55.803 -0.248 0.000 0.832 611 Q CB 2.571 31.168 28.738 -0.235 0.000 1.323 611 Q HN 0.524 nan 8.270 nan 0.000 0.448 612 Q N 0.518 120.263 119.800 -0.092 0.000 2.421 612 Q HA 0.696 5.034 4.340 -0.004 0.000 0.280 612 Q C -1.499 174.491 176.000 -0.017 0.000 1.085 612 Q CA -0.682 55.099 55.803 -0.036 0.000 0.807 612 Q CB 2.733 31.554 28.738 0.138 0.000 1.405 612 Q HN 0.742 nan 8.270 nan 0.000 0.419 613 S N -0.689 114.986 115.700 -0.043 0.000 2.537 613 S HA 0.781 5.249 4.470 -0.004 0.000 0.271 613 S C -1.021 173.627 174.600 0.080 0.000 1.148 613 S CA -0.793 57.424 58.200 0.028 0.000 0.868 613 S CB 1.240 64.449 63.200 0.014 0.000 1.115 613 S HN 0.582 nan 8.310 nan 0.000 0.461 614 V N -0.352 119.645 119.914 0.137 0.000 2.823 614 V HA 1.018 5.136 4.120 -0.004 0.000 0.312 614 V C -0.348 175.809 176.094 0.105 0.000 1.072 614 V CA -0.476 61.926 62.300 0.170 0.000 0.937 614 V CB 1.193 33.143 31.823 0.211 0.000 1.013 614 V HN 1.459 nan 8.190 nan 0.000 0.430 615 S N 3.606 119.359 115.700 0.089 0.000 2.564 615 S HA 0.884 5.352 4.470 -0.004 0.000 0.274 615 S C -1.157 173.470 174.600 0.046 0.000 1.124 615 S CA -0.829 57.403 58.200 0.054 0.000 0.869 615 S CB 1.939 65.153 63.200 0.024 0.000 1.105 615 S HN 0.908 nan 8.310 nan 0.000 0.472 616 L N 1.133 122.384 121.223 0.047 0.000 2.408 616 L HA 0.899 5.236 4.340 -0.004 0.000 0.268 616 L C -0.504 176.395 176.870 0.048 0.000 0.986 616 L CA -0.694 54.172 54.840 0.044 0.000 0.820 616 L CB 2.111 44.223 42.059 0.088 0.000 1.303 616 L HN 1.096 nan 8.230 nan 0.000 0.411 617 A N 3.619 126.458 122.820 0.031 0.000 2.587 617 A HA 0.838 5.155 4.320 -0.004 0.000 0.293 617 A C -1.748 175.891 177.584 0.092 0.000 1.087 617 A CA -0.495 51.589 52.037 0.078 0.000 0.692 617 A CB 1.836 20.874 19.000 0.063 0.000 1.291 617 A HN 0.589 nan 8.150 nan 0.000 0.407 618 L N 1.101 122.410 121.223 0.143 0.000 2.322 618 L HA 0.660 4.997 4.340 -0.004 0.000 0.281 618 L C 0.204 177.195 176.870 0.200 0.000 1.014 618 L CA -0.529 54.397 54.840 0.143 0.000 0.815 618 L CB 2.086 44.220 42.059 0.125 0.000 1.247 618 L HN 0.637 nan 8.230 nan 0.000 0.421 619 S N 3.838 119.646 115.700 0.180 0.000 2.566 619 S HA 0.602 5.070 4.470 -0.004 0.000 0.324 619 S C -0.872 173.843 174.600 0.191 0.000 1.081 619 S CA -0.530 57.808 58.200 0.231 0.000 1.105 619 S CB 0.779 64.094 63.200 0.191 0.000 0.981 619 S HN 0.424 nan 8.310 nan 0.000 0.464 620 L N 4.181 125.532 121.223 0.213 0.000 2.334 620 L HA 0.757 5.095 4.340 -0.004 0.000 0.270 620 L C -1.147 175.846 176.870 0.204 0.000 1.018 620 L CA -0.135 54.787 54.840 0.137 0.000 0.811 620 L CB 1.893 43.969 42.059 0.028 0.000 1.271 620 L HN 0.514 nan 8.230 nan 0.000 0.443 621 D N 2.382 122.852 120.400 0.117 0.000 2.256 621 D HA 0.434 5.072 4.640 -0.004 0.000 0.240 621 D C -0.800 175.577 176.300 0.128 0.000 1.062 621 D CA 0.203 54.322 54.000 0.198 0.000 0.832 621 D CB 1.018 41.903 40.800 0.143 0.000 1.135 621 D HN 0.257 nan 8.370 nan 0.000 0.484 622 F N 0.000 120.054 119.950 0.174 0.000 2.286 622 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 622 F CA 0.000 58.104 58.000 0.174 0.000 1.383 622 F CB 0.000 39.134 39.000 0.223 0.000 1.145 622 F HN 0.000 nan 8.300 nan 0.000 0.574