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 3acs_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRYGHFDDAA REYVITTPHT PYPWINYLGS EQFFSLLSHQ AGGYSFYRDA DATA SEQUENCE KMRRLTRYRY NNIPADAGGR YLYVNDGGDV WTPSWLPVKA DLDHFEARHG DATA SEQUENCE LGYSRITGER NGLKVETLFF VPLGENAEVQ KVTVTNTSDA PKTATLFSFV DATA SEQUENCE EFCLWNAQDD QTNYQRNLSI GEVEVEQDGP HGSAIYHKTE YRERRDHYAV DATA SEQUENCE FGVNTRADGF DTDRDTFVGA YNSLGEASVP RAGKSADSVA SGWYPIGSHS DATA SEQUENCE VAVTLQPGES RDLVYVLGYL ENPDEEKWAD DAHQVVNKAP AHALLGRFAT DATA SEQUENCE SEQVDAALEA LNSYWTNLLS TYSVSSTDEK LDRMVNIWNQ YQCMVTFNMS DATA SEQUENCE RSASFFETGI GRGMGFRDSN QDLLGFVHLI PERARERIID IASTQFADGS DATA SEQUENCE AYHQYQPLTK RGNNDIGSGF NDDPLWLIAG VAAYIKESGD WGILDEPVPF DATA SEQUENCE DNEPGSEVPL FEHLTRSFQF TVQNRGPHGL PLIGRADFND CLNLNCFSTT DATA SEQUENCE PGESFQTTEN QAGGVAESVF IAAQFVLYGA EYATLAERRG LADVATEARK DATA SEQUENCE YVDEVRAAVL EHGWDGQWFL RAYDYYGNPV GTDAKPEGKI WIEPQGFAVM DATA SEQUENCE AGIGVGEGPD DADAPAVKAL DSVNEMLGTP HGLVLQYPAY TTYQIELGEV DATA SEQUENCE STYPPGYKEN GGIFCHNNPW VIIAETVVGR GAQAFDYYKR ITPAYREDIS DATA SEQUENCE DTHKLEPYVY AQMIAGKEAV RAGEAKNSWL TGTAAWNFVA VSQYLLGVRP DATA SEQUENCE DYDGLVVDPQ IGPDVPSYTV TRVARGATYE ITVTNSGAPG ARASLTVDGA DATA SEQUENCE PVDGRTVPYA PAGSTVRVEV TV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 R N -0.481 119.935 120.500 -0.141 0.000 2.740 2 R HA 0.514 4.854 4.340 0.000 0.000 0.282 2 R C -1.363 174.794 176.300 -0.238 0.000 0.969 2 R CA -0.398 55.682 56.100 -0.033 0.000 0.918 2 R CB 1.386 31.720 30.300 0.056 0.000 1.175 2 R HN 0.322 nan 8.270 nan 0.000 0.464 3 Y N -0.247 120.192 120.300 0.231 0.000 2.660 3 Y HA 0.453 5.003 4.550 0.000 0.000 0.254 3 Y C 0.816 176.827 175.900 0.185 0.000 1.176 3 Y CA -0.095 58.106 58.100 0.169 0.000 1.195 3 Y CB 1.807 40.311 38.460 0.073 0.000 1.190 3 Y HN 0.821 nan 8.280 nan 0.000 0.535 4 G N -0.309 108.650 108.800 0.265 0.000 2.336 4 G HA2 0.347 4.307 3.960 0.000 0.000 0.286 4 G HA3 0.347 4.307 3.960 0.000 0.000 0.286 4 G C -1.928 172.900 174.900 -0.120 0.000 1.269 4 G CA -0.757 44.358 45.100 0.024 0.000 0.873 4 G HN 0.225 nan 8.290 nan 0.000 0.494 5 H N -1.521 117.114 119.070 -0.725 0.000 3.037 5 H HA 0.578 5.134 4.556 0.000 0.000 0.336 5 H C -1.685 173.114 175.328 -0.882 0.000 1.323 5 H CA -0.972 54.727 56.048 -0.582 0.000 1.159 5 H CB 0.801 30.438 29.762 -0.209 0.000 1.882 5 H HN 0.377 nan 8.280 nan 0.000 0.535 6 F N 0.900 120.726 119.950 -0.206 0.000 2.459 6 F HA 0.199 4.726 4.527 0.000 0.000 0.346 6 F C 0.934 176.755 175.800 0.035 0.000 1.128 6 F CA 0.590 58.561 58.000 -0.048 0.000 1.268 6 F CB 0.609 39.690 39.000 0.134 0.000 1.161 6 F HN 0.495 nan 8.300 nan 0.000 0.583 7 D N 2.181 122.747 120.400 0.276 0.000 2.389 7 D HA 0.155 4.795 4.640 0.000 0.000 0.256 7 D C 0.020 176.459 176.300 0.231 0.000 1.239 7 D CA -0.311 53.815 54.000 0.210 0.000 0.925 7 D CB 0.748 41.611 40.800 0.106 0.000 1.145 7 D HN 0.413 nan 8.370 nan 0.000 0.542 8 D N 2.268 122.789 120.400 0.203 0.000 2.123 8 D HA -0.077 4.563 4.640 0.000 0.000 0.200 8 D C 1.902 178.261 176.300 0.098 0.000 0.976 8 D CA 1.056 55.150 54.000 0.156 0.000 0.831 8 D CB 0.051 40.921 40.800 0.116 0.000 0.974 8 D HN 0.519 nan 8.370 nan 0.000 0.469 9 A N 0.989 123.860 122.820 0.085 0.000 1.902 9 A HA -0.035 4.285 4.320 0.000 0.000 0.217 9 A C 2.239 179.859 177.584 0.060 0.000 1.181 9 A CA 2.130 54.204 52.037 0.062 0.000 0.623 9 A CB -0.595 18.438 19.000 0.055 0.000 0.818 9 A HN 0.238 nan 8.150 nan 0.000 0.443 10 A N -1.270 121.595 122.820 0.075 0.000 2.119 10 A HA 0.162 4.482 4.320 0.000 0.000 0.216 10 A C 1.132 178.756 177.584 0.067 0.000 1.152 10 A CA 0.647 52.732 52.037 0.081 0.000 0.708 10 A CB -0.293 18.762 19.000 0.091 0.000 0.805 10 A HN 0.543 nan 8.150 nan 0.000 0.460 11 R N -0.299 120.231 120.500 0.050 0.000 3.267 11 R HA -0.157 4.183 4.340 0.000 0.000 0.254 11 R C -1.078 175.204 176.300 -0.031 0.000 0.993 11 R CA 1.125 57.189 56.100 -0.060 0.000 0.670 11 R CB -2.283 27.882 30.300 -0.226 0.000 1.125 11 R HN 0.750 nan 8.270 nan 0.000 0.434 12 E N -0.245 120.089 120.200 0.223 0.000 2.393 12 E HA 0.408 4.758 4.350 0.000 0.000 0.273 12 E C -1.508 175.306 176.600 0.357 0.000 0.918 12 E CA -1.007 55.544 56.400 0.251 0.000 0.773 12 E CB 1.750 31.495 29.700 0.075 0.000 1.275 12 E HN 0.184 nan 8.360 nan 0.000 0.451 13 Y N 1.155 121.449 120.300 -0.009 0.000 2.328 13 Y HA 0.381 4.931 4.550 0.000 0.000 0.337 13 Y C -1.099 174.601 175.900 -0.332 0.000 0.966 13 Y CA -0.707 57.160 58.100 -0.389 0.000 1.136 13 Y CB 1.074 38.952 38.460 -0.970 0.000 1.170 13 Y HN 0.222 nan 8.280 nan 0.000 0.470 14 V N 8.228 127.595 119.914 -0.912 0.000 2.348 14 V HA 0.274 4.395 4.120 0.000 0.000 0.270 14 V C 0.050 175.775 176.094 -0.615 0.000 1.037 14 V CA -0.611 61.278 62.300 -0.686 0.000 0.872 14 V CB 0.538 31.836 31.823 -0.874 0.000 1.002 14 V HN 0.618 nan 8.190 nan 0.000 0.464 15 I N 5.025 125.462 120.570 -0.222 0.000 2.312 15 I HA 0.219 4.389 4.170 0.000 0.000 0.291 15 I C 1.268 177.400 176.117 0.025 0.000 1.031 15 I CA -0.065 61.242 61.300 0.012 0.000 1.293 15 I CB 1.549 39.628 38.000 0.131 0.000 1.403 15 I HN 0.710 nan 8.210 nan 0.000 0.484 16 T N 0.003 114.599 114.554 0.070 0.000 3.163 16 T HA 0.102 4.452 4.350 0.000 0.000 0.252 16 T C 0.449 175.254 174.700 0.175 0.000 1.056 16 T CA -0.300 61.859 62.100 0.098 0.000 0.947 16 T CB -0.018 68.904 68.868 0.091 0.000 1.016 16 T HN 0.614 nan 8.240 nan 0.000 0.554 17 T N 0.707 115.388 114.554 0.213 0.000 2.932 17 T HA 0.463 4.813 4.350 0.000 0.000 0.318 17 T C -2.605 171.985 174.700 -0.185 0.000 1.265 17 T CA -1.332 60.782 62.100 0.024 0.000 1.036 17 T CB 1.966 70.816 68.868 -0.029 0.000 1.209 17 T HN -0.297 nan 8.240 nan 0.000 0.484 18 P HA 0.025 nan 4.420 nan 0.000 0.219 18 P C 0.248 177.216 177.300 -0.554 0.000 1.150 18 P CA 0.823 63.336 63.100 -0.979 0.000 0.814 18 P CB 0.005 30.691 31.700 -1.691 0.000 0.787 19 H N -0.067 118.776 119.070 -0.378 0.000 2.966 19 H HA 0.158 4.714 4.556 0.000 0.000 0.217 19 H C 0.657 175.829 175.328 -0.261 0.000 1.906 19 H CA 0.154 56.036 56.048 -0.276 0.000 1.351 19 H CB -1.399 28.221 29.762 -0.237 0.000 1.722 19 H HN 0.140 nan 8.280 nan 0.000 0.562 20 T N -1.728 112.584 114.554 -0.402 0.000 2.828 20 T HA 0.122 4.472 4.350 0.000 0.000 0.290 20 T C -1.240 173.051 174.700 -0.681 0.000 1.019 20 T CA -1.626 59.901 62.100 -0.954 0.000 1.031 20 T CB 1.523 69.417 68.868 -1.623 0.000 1.001 20 T HN 0.022 nan 8.240 nan 0.000 0.531 21 P HA 0.044 nan 4.420 nan 0.000 0.215 21 P C -0.411 176.915 177.300 0.042 0.000 1.153 21 P CA 1.045 64.017 63.100 -0.212 0.000 0.853 21 P CB -0.037 31.623 31.700 -0.068 0.000 0.788 22 Y N -2.250 117.984 120.300 -0.109 0.000 2.609 22 Y HA 0.473 5.023 4.550 0.000 0.000 0.342 22 Y C -2.602 173.298 175.900 0.000 0.000 1.058 22 Y CA -2.969 55.171 58.100 0.068 0.000 1.055 22 Y CB 1.272 39.902 38.460 0.282 0.000 1.292 22 Y HN -0.316 nan 8.280 nan 0.000 0.476 23 P HA -0.045 nan 4.420 nan 0.000 0.264 23 P C -1.376 176.231 177.300 0.513 0.000 1.193 23 P CA 0.674 63.907 63.100 0.222 0.000 0.763 23 P CB 0.180 32.042 31.700 0.271 0.000 0.810 24 W N 5.167 126.663 121.300 0.326 0.000 2.471 24 W HA 0.466 5.126 4.660 0.000 0.000 0.318 24 W C 0.228 176.939 176.519 0.319 0.000 1.034 24 W CA -0.740 56.760 57.345 0.258 0.000 1.224 24 W CB 0.355 29.931 29.460 0.194 0.000 1.335 24 W HN 0.227 nan 8.180 nan 0.000 0.452 25 I N 0.933 121.695 120.570 0.320 0.000 2.863 25 I HA 0.649 4.819 4.170 0.000 0.000 0.311 25 I C -0.324 175.682 176.117 -0.185 0.000 1.026 25 I CA -0.844 60.365 61.300 -0.152 0.000 1.077 25 I CB 2.039 39.586 38.000 -0.754 0.000 1.262 25 I HN 0.172 nan 8.210 nan 0.000 0.461 26 N N 1.575 119.925 118.700 -0.584 0.000 2.402 26 N HA 0.483 5.223 4.740 0.000 0.000 0.294 26 N C -1.929 173.264 175.510 -0.529 0.000 1.203 26 N CA -0.574 52.264 53.050 -0.354 0.000 0.838 26 N CB 1.461 39.748 38.487 -0.334 0.000 1.306 26 N HN 0.608 nan 8.380 nan 0.000 0.510 27 Y N 0.801 120.840 120.300 -0.435 0.000 2.331 27 Y HA 0.439 4.989 4.550 0.000 0.000 0.338 27 Y C -0.129 175.744 175.900 -0.045 0.000 0.976 27 Y CA -0.690 57.198 58.100 -0.353 0.000 1.137 27 Y CB 1.137 39.292 38.460 -0.509 0.000 1.172 27 Y HN 0.205 nan 8.280 nan 0.000 0.478 28 L N 3.582 124.876 121.223 0.118 0.000 2.325 28 L HA 0.832 5.172 4.340 0.000 0.000 0.279 28 L C 0.498 177.513 176.870 0.241 0.000 1.054 28 L CA -0.745 54.229 54.840 0.222 0.000 0.804 28 L CB 1.165 43.340 42.059 0.193 0.000 1.200 28 L HN 0.869 nan 8.230 nan 0.000 0.436 29 G N 1.644 110.605 108.800 0.269 0.000 2.675 29 G HA2 -0.043 3.917 3.960 0.000 0.000 0.686 29 G HA3 -0.043 3.917 3.960 0.000 0.000 0.686 29 G C -0.094 174.979 174.900 0.288 0.000 1.215 29 G CA -0.187 44.983 45.100 0.117 0.000 0.777 29 G HN 0.930 nan 8.290 nan 0.000 0.638 30 S N -0.732 115.072 115.700 0.174 0.000 2.911 30 S HA 0.401 4.871 4.470 0.000 0.000 0.261 30 S C 0.607 175.390 174.600 0.306 0.000 1.021 30 S CA 0.803 59.261 58.200 0.430 0.000 1.222 30 S CB 0.622 64.124 63.200 0.503 0.000 1.171 30 S HN 0.751 nan 8.310 nan 0.000 0.669 31 E N 1.506 121.693 120.200 -0.022 0.000 2.720 31 E HA 0.308 4.658 4.350 0.000 0.000 0.260 31 E C 0.901 177.480 176.600 -0.035 0.000 0.967 31 E CA -0.115 56.294 56.400 0.014 0.000 1.055 31 E CB 0.173 29.847 29.700 -0.043 0.000 2.411 31 E HN 0.286 nan 8.360 nan 0.000 0.570 32 Q N -0.692 118.971 119.800 -0.228 0.000 2.185 32 Q HA 0.248 4.588 4.340 0.000 0.000 0.234 32 Q C -0.828 174.938 176.000 -0.389 0.000 0.819 32 Q CA -0.221 55.471 55.803 -0.185 0.000 0.961 32 Q CB 1.224 29.898 28.738 -0.107 0.000 1.140 32 Q HN 0.100 nan 8.270 nan 0.000 0.492 33 F N 0.574 119.981 119.950 -0.904 0.000 2.507 33 F HA 0.560 5.087 4.527 0.000 0.000 0.325 33 F C -1.476 173.640 175.800 -1.140 0.000 1.116 33 F CA -1.003 56.583 58.000 -0.691 0.000 0.930 33 F CB 1.141 39.971 39.000 -0.283 0.000 1.146 33 F HN -0.231 nan 8.300 nan 0.000 0.447 34 F N 2.577 121.969 119.950 -0.929 0.000 2.588 34 F HA 0.583 5.110 4.527 0.000 0.000 0.310 34 F C -0.438 174.849 175.800 -0.856 0.000 1.082 34 F CA -0.821 56.712 58.000 -0.779 0.000 0.929 34 F CB 2.425 40.848 39.000 -0.961 0.000 1.254 34 F HN 0.244 nan 8.300 nan 0.000 0.455 35 S N 2.375 117.935 115.700 -0.234 0.000 2.521 35 S HA 0.715 5.185 4.470 0.000 0.000 0.295 35 S C -1.261 173.122 174.600 -0.361 0.000 1.098 35 S CA -0.539 57.506 58.200 -0.259 0.000 0.999 35 S CB 1.436 64.588 63.200 -0.079 0.000 1.034 35 S HN 0.324 nan 8.310 nan 0.000 0.483 36 L N 3.198 124.103 121.223 -0.530 0.000 2.264 36 L HA 0.587 4.927 4.340 0.000 0.000 0.289 36 L C -0.714 175.838 176.870 -0.530 0.000 1.044 36 L CA -0.148 54.258 54.840 -0.722 0.000 0.807 36 L CB 0.870 42.455 42.059 -0.789 0.000 1.192 36 L HN 0.516 nan 8.230 nan 0.000 0.425 37 L N 3.463 124.366 121.223 -0.535 0.000 2.415 37 L HA 0.519 4.859 4.340 0.000 0.000 0.268 37 L C 0.309 177.008 176.870 -0.285 0.000 0.984 37 L CA -0.006 54.612 54.840 -0.370 0.000 0.853 37 L CB 1.479 43.350 42.059 -0.313 0.000 1.215 37 L HN 0.705 nan 8.230 nan 0.000 0.419 38 S N 2.459 118.039 115.700 -0.200 0.000 2.608 38 S HA 0.108 4.578 4.470 0.000 0.000 0.261 38 S C 1.283 176.014 174.600 0.219 0.000 1.314 38 S CA 0.313 58.524 58.200 0.018 0.000 0.992 38 S CB 0.389 63.660 63.200 0.118 0.000 0.935 38 S HN 0.813 nan 8.310 nan 0.000 0.564 39 H N 0.488 119.729 119.070 0.284 0.000 2.562 39 H HA 0.128 4.684 4.556 0.000 0.000 0.272 39 H C 0.073 175.543 175.328 0.237 0.000 1.019 39 H CA 0.353 56.527 56.048 0.210 0.000 1.160 39 H CB -0.217 29.655 29.762 0.184 0.000 1.334 39 H HN 0.646 nan 8.280 nan 0.000 0.611 40 Q N 0.146 119.819 119.800 -0.212 0.000 2.135 40 Q HA 0.397 4.737 4.340 0.000 0.000 0.231 40 Q C 0.722 176.775 176.000 0.089 0.000 0.817 40 Q CA 0.197 55.957 55.803 -0.072 0.000 1.073 40 Q CB 1.016 29.663 28.738 -0.152 0.000 1.176 40 Q HN 0.604 nan 8.270 nan 0.000 0.478 41 A N -0.314 122.507 122.820 0.001 0.000 2.952 41 A HA -0.142 4.178 4.320 0.000 0.000 0.252 41 A C 0.804 178.305 177.584 -0.138 0.000 1.323 41 A CA 0.876 52.837 52.037 -0.128 0.000 0.957 41 A CB -1.928 17.099 19.000 0.046 0.000 1.130 41 A HN 0.456 nan 8.150 nan 0.000 0.799 42 G N -2.233 106.559 108.800 -0.014 0.000 2.476 42 G HA2 0.817 4.777 3.960 0.000 0.000 0.286 42 G HA3 0.817 4.777 3.960 0.000 0.000 0.286 42 G C 0.816 175.722 174.900 0.011 0.000 1.177 42 G CA 0.873 46.020 45.100 0.078 0.000 0.870 42 G HN 2.411 nan 8.290 nan 0.000 0.528 43 G N -0.649 108.069 108.800 -0.135 0.000 2.297 43 G HA2 0.489 4.449 3.960 0.000 0.000 0.209 43 G HA3 0.489 4.449 3.960 0.000 0.000 0.209 43 G C -0.756 174.119 174.900 -0.040 0.000 1.267 43 G CA 0.228 45.112 45.100 -0.360 0.000 1.127 43 G HN 2.139 nan 8.290 nan 0.000 0.498 44 Y N -2.939 117.236 120.300 -0.208 0.000 2.818 44 Y HA 0.803 5.353 4.550 0.000 0.000 0.341 44 Y C -0.445 175.434 175.900 -0.034 0.000 1.283 44 Y CA -0.646 57.402 58.100 -0.087 0.000 1.075 44 Y CB 0.682 39.134 38.460 -0.014 0.000 1.370 44 Y HN 1.102 nan 8.280 nan 0.000 0.448 45 S N 1.065 116.851 115.700 0.144 0.000 2.548 45 S HA 0.840 5.310 4.470 0.000 0.000 0.286 45 S C -1.507 173.130 174.600 0.063 0.000 1.098 45 S CA -0.775 57.364 58.200 -0.101 0.000 0.930 45 S CB 1.543 64.672 63.200 -0.119 0.000 1.070 45 S HN 0.792 nan 8.310 nan 0.000 0.480 46 F N -0.409 119.344 119.950 -0.328 0.000 2.645 46 F HA 0.683 5.210 4.527 0.000 0.000 0.310 46 F C -1.474 174.118 175.800 -0.347 0.000 1.102 46 F CA -1.467 56.435 58.000 -0.164 0.000 0.952 46 F CB 0.893 39.918 39.000 0.042 0.000 1.326 46 F HN 0.524 nan 8.300 nan 0.000 0.456 47 Y N 3.502 123.731 120.300 -0.118 0.000 2.434 47 Y HA 0.518 5.068 4.550 0.000 0.000 0.341 47 Y C 1.035 176.943 175.900 0.014 0.000 0.965 47 Y CA -0.721 57.239 58.100 -0.233 0.000 1.205 47 Y CB 0.551 38.589 38.460 -0.703 0.000 1.121 47 Y HN 0.837 nan 8.280 nan 0.000 0.507 48 R N 1.185 121.481 120.500 -0.340 0.000 3.075 48 R HA -0.268 4.072 4.340 0.000 0.000 0.235 48 R C -0.673 175.661 176.300 0.056 0.000 0.799 48 R CA 2.025 57.969 56.100 -0.261 0.000 1.783 48 R CB -1.162 28.724 30.300 -0.690 0.000 1.344 48 R HN 0.652 nan 8.270 nan 0.000 0.587 49 D N -0.983 119.490 120.400 0.122 0.000 2.542 49 D HA 0.447 5.088 4.640 0.000 0.000 0.252 49 D C 0.276 176.533 176.300 -0.073 0.000 1.222 49 D CA 0.626 54.643 54.000 0.030 0.000 0.895 49 D CB 1.652 42.449 40.800 -0.005 0.000 1.207 49 D HN 0.259 nan 8.370 nan 0.000 0.558 50 A N 4.072 126.557 122.820 -0.559 0.000 2.172 50 A HA -0.119 4.201 4.320 0.000 0.000 0.216 50 A C 1.786 179.218 177.584 -0.254 0.000 1.154 50 A CA 1.048 52.551 52.037 -0.890 0.000 0.701 50 A CB -0.025 18.195 19.000 -1.301 0.000 0.789 50 A HN 0.520 nan 8.150 nan 0.000 0.465 51 K N -1.527 118.790 120.400 -0.139 0.000 2.313 51 K HA 0.118 4.438 4.320 0.000 0.000 0.197 51 K C 1.392 178.020 176.600 0.047 0.000 1.061 51 K CA 0.441 56.702 56.287 -0.044 0.000 0.980 51 K CB -0.022 32.444 32.500 -0.057 0.000 0.888 51 K HN 0.320 nan 8.250 nan 0.000 0.502 52 M N 0.604 120.246 119.600 0.070 0.000 2.486 52 M HA 0.131 4.611 4.480 0.000 0.000 0.264 52 M C 0.324 176.776 176.300 0.254 0.000 1.125 52 M CA 0.687 56.065 55.300 0.130 0.000 1.144 52 M CB 0.301 32.950 32.600 0.082 0.000 1.353 52 M HN -0.047 nan 8.290 nan 0.000 0.466 53 R N 0.852 121.535 120.500 0.304 0.000 2.638 53 R HA 0.328 4.668 4.340 0.000 0.000 0.261 53 R C -0.582 176.066 176.300 0.580 0.000 1.515 53 R CA -0.116 56.301 56.100 0.529 0.000 1.623 53 R CB 0.869 31.374 30.300 0.342 0.000 1.347 53 R HN 0.202 nan 8.270 nan 0.000 0.705 54 R N 1.428 122.211 120.500 0.472 0.000 2.221 54 R HA 0.215 4.555 4.340 0.000 0.000 0.327 54 R C 0.624 177.022 176.300 0.163 0.000 1.033 54 R CA -0.357 55.946 56.100 0.338 0.000 0.887 54 R CB 0.744 31.166 30.300 0.203 0.000 1.057 54 R HN 0.116 nan 8.270 nan 0.000 0.455 55 L N 2.441 123.756 121.223 0.153 0.000 2.095 55 L HA 0.002 4.342 4.340 0.000 0.000 0.204 55 L C 0.857 177.732 176.870 0.008 0.000 1.080 55 L CA 1.417 56.237 54.840 -0.033 0.000 0.759 55 L CB -0.120 42.054 42.059 0.192 0.000 0.914 55 L HN 0.722 nan 8.230 nan 0.000 0.439 56 T N -2.814 111.778 114.554 0.064 0.000 2.876 56 T HA 0.496 4.846 4.350 0.000 0.000 0.289 56 T C -0.313 174.379 174.700 -0.013 0.000 1.014 56 T CA -0.871 61.220 62.100 -0.015 0.000 0.986 56 T CB 2.302 71.135 68.868 -0.059 0.000 1.021 56 T HN 0.014 nan 8.240 nan 0.000 0.458 57 R N 1.282 121.736 120.500 -0.076 0.000 2.441 57 R HA 0.543 4.883 4.340 0.000 0.000 0.284 57 R C -1.577 174.702 176.300 -0.035 0.000 1.070 57 R CA -0.628 55.426 56.100 -0.076 0.000 1.047 57 R CB 0.602 30.864 30.300 -0.063 0.000 1.016 57 R HN 0.819 nan 8.270 nan 0.000 0.477 58 Y N 2.196 122.330 120.300 -0.277 0.000 2.479 58 Y HA 0.374 4.925 4.550 0.000 0.000 0.338 58 Y C -1.388 174.319 175.900 -0.321 0.000 1.055 58 Y CA -0.966 56.956 58.100 -0.297 0.000 1.023 58 Y CB 1.590 39.860 38.460 -0.317 0.000 1.287 58 Y HN 0.584 nan 8.280 nan 0.000 0.447 59 R N 5.068 125.023 120.500 -0.907 0.000 2.265 59 R HA 0.348 4.688 4.340 0.000 0.000 0.328 59 R C -1.445 174.281 176.300 -0.957 0.000 0.969 59 R CA -0.646 55.064 56.100 -0.650 0.000 0.832 59 R CB 0.895 30.944 30.300 -0.419 0.000 1.139 59 R HN 0.596 nan 8.270 nan 0.000 0.457 60 Y N 1.664 121.681 120.300 -0.472 0.000 2.357 60 Y HA -0.079 4.471 4.550 0.000 0.000 0.340 60 Y C 1.319 177.066 175.900 -0.256 0.000 1.260 60 Y CA 0.131 58.040 58.100 -0.319 0.000 1.425 60 Y CB 0.471 38.847 38.460 -0.140 0.000 1.326 60 Y HN 0.651 nan 8.280 nan 0.000 0.580 61 N N 1.582 120.250 118.700 -0.055 0.000 2.716 61 N HA -0.285 4.455 4.740 0.000 0.000 0.250 61 N C -1.030 174.414 175.510 -0.110 0.000 1.033 61 N CA 0.402 53.422 53.050 -0.050 0.000 0.727 61 N CB -1.149 37.341 38.487 0.005 0.000 0.950 61 N HN 0.731 nan 8.380 nan 0.000 0.541 62 N N -0.087 118.494 118.700 -0.199 0.000 2.493 62 N HA 0.514 5.254 4.740 0.000 0.000 0.275 62 N C -0.229 175.198 175.510 -0.139 0.000 1.186 62 N CA -0.221 52.713 53.050 -0.194 0.000 0.978 62 N CB 0.582 38.897 38.487 -0.287 0.000 1.184 62 N HN 0.270 nan 8.380 nan 0.000 0.487 63 I N 2.569 123.071 120.570 -0.114 0.000 2.390 63 I HA 0.343 4.513 4.170 0.000 0.000 0.283 63 I C -1.803 174.258 176.117 -0.093 0.000 1.016 63 I CA -1.649 59.599 61.300 -0.088 0.000 1.151 63 I CB 1.293 39.254 38.000 -0.064 0.000 1.293 63 I HN 0.484 nan 8.210 nan 0.000 0.458 64 P HA 0.358 nan 4.420 nan 0.000 0.277 64 P C -0.354 176.873 177.300 -0.121 0.000 1.271 64 P CA -0.542 62.505 63.100 -0.088 0.000 0.795 64 P CB 0.761 32.418 31.700 -0.072 0.000 1.101 65 A N 0.652 123.395 122.820 -0.127 0.000 2.546 65 A HA 0.151 4.471 4.320 0.000 0.000 0.243 65 A C 0.704 178.192 177.584 -0.161 0.000 1.063 65 A CA 0.855 52.778 52.037 -0.191 0.000 0.757 65 A CB -1.212 17.633 19.000 -0.258 0.000 0.991 65 A HN 0.752 nan 8.150 nan 0.000 0.503 66 D N -0.134 120.144 120.400 -0.203 0.000 3.068 66 D HA -0.165 4.475 4.640 0.000 0.000 0.218 66 D C 0.327 176.640 176.300 0.023 0.000 1.145 66 D CA 1.355 55.337 54.000 -0.030 0.000 0.896 66 D CB -1.337 39.519 40.800 0.093 0.000 1.105 66 D HN 1.153 nan 8.370 nan 0.000 0.423 67 A N 0.679 123.463 122.820 -0.059 0.000 2.899 67 A HA 0.569 4.889 4.320 0.000 0.000 0.287 67 A C 0.979 178.597 177.584 0.056 0.000 1.715 67 A CA 0.837 52.876 52.037 0.003 0.000 1.393 67 A CB -0.270 18.684 19.000 -0.077 0.000 1.070 67 A HN 1.036 nan 8.150 nan 0.000 0.587 68 G N 0.185 109.114 108.800 0.214 0.000 1.875 68 G HA2 0.586 4.546 3.960 0.000 0.000 0.218 68 G HA3 0.586 4.546 3.960 0.000 0.000 0.218 68 G C -0.269 174.631 174.900 -0.000 0.000 1.648 68 G CA 0.135 45.317 45.100 0.137 0.000 0.941 68 G HN 1.736 nan 8.290 nan 0.000 0.689 69 G N 0.898 109.407 108.800 -0.485 0.000 2.565 69 G HA2 0.555 4.515 3.960 0.000 0.000 0.142 69 G HA3 0.555 4.515 3.960 0.000 0.000 0.142 69 G C -1.205 173.265 174.900 -0.717 0.000 1.181 69 G CA -0.818 44.003 45.100 -0.464 0.000 1.066 69 G HN 0.676 nan 8.290 nan 0.000 0.530 70 R N 0.574 120.778 120.500 -0.492 0.000 2.235 70 R HA 0.588 4.929 4.340 0.000 0.000 0.338 70 R C -1.382 174.884 176.300 -0.056 0.000 1.087 70 R CA -0.105 55.876 56.100 -0.197 0.000 0.948 70 R CB 0.204 30.566 30.300 0.103 0.000 1.099 70 R HN 0.353 nan 8.270 nan 0.000 0.483 71 Y N 1.980 122.383 120.300 0.173 0.000 2.420 71 Y HA 0.514 5.064 4.550 0.000 0.000 0.334 71 Y C -0.332 175.616 175.900 0.081 0.000 1.094 71 Y CA -1.674 56.463 58.100 0.061 0.000 1.126 71 Y CB 1.481 39.892 38.460 -0.081 0.000 1.217 71 Y HN 0.280 nan 8.280 nan 0.000 0.462 72 L N 3.700 125.008 121.223 0.141 0.000 2.427 72 L HA 0.459 4.799 4.340 0.000 0.000 0.264 72 L C -1.824 175.039 176.870 -0.012 0.000 0.989 72 L CA -0.794 54.106 54.840 0.100 0.000 0.865 72 L CB 0.204 42.264 42.059 0.002 0.000 1.209 72 L HN 0.473 nan 8.230 nan 0.000 0.430 73 Y N 3.774 124.145 120.300 0.119 0.000 2.336 73 Y HA 0.464 5.014 4.550 0.000 0.000 0.335 73 Y C 0.317 176.219 175.900 0.004 0.000 1.046 73 Y CA -0.513 57.601 58.100 0.023 0.000 1.198 73 Y CB 1.195 39.709 38.460 0.091 0.000 1.182 73 Y HN 0.234 nan 8.280 nan 0.000 0.502 74 V N 4.327 124.127 119.914 -0.189 0.000 2.407 74 V HA 0.196 4.316 4.120 0.000 0.000 0.278 74 V C -0.221 175.826 176.094 -0.079 0.000 1.037 74 V CA -0.911 61.227 62.300 -0.271 0.000 0.900 74 V CB 1.256 32.553 31.823 -0.877 0.000 0.983 74 V HN 0.708 nan 8.190 nan 0.000 0.459 75 N N 3.552 122.329 118.700 0.128 0.000 2.511 75 N HA 0.215 4.955 4.740 0.000 0.000 0.249 75 N C -1.479 174.129 175.510 0.163 0.000 0.971 75 N CA -0.318 52.833 53.050 0.169 0.000 0.938 75 N CB 1.555 40.181 38.487 0.232 0.000 1.131 75 N HN 0.692 nan 8.380 nan 0.000 0.505 76 D N 2.362 122.880 120.400 0.196 0.000 2.453 76 D HA 0.411 5.052 4.640 0.000 0.000 0.238 76 D C 0.758 177.147 176.300 0.149 0.000 1.088 76 D CA 0.035 54.149 54.000 0.190 0.000 0.854 76 D CB 0.327 41.294 40.800 0.278 0.000 1.076 76 D HN 0.766 nan 8.370 nan 0.000 0.533 77 G N 2.791 111.657 108.800 0.110 0.000 2.249 77 G HA2 -0.118 3.842 3.960 0.000 0.000 0.273 77 G HA3 -0.118 3.842 3.960 0.000 0.000 0.273 77 G C 1.119 176.062 174.900 0.072 0.000 1.036 77 G CA 0.603 45.752 45.100 0.081 0.000 0.824 77 G HN 1.534 nan 8.290 nan 0.000 0.504 78 G N -1.014 107.832 108.800 0.076 0.000 2.212 78 G HA2 -0.247 3.713 3.960 0.000 0.000 0.266 78 G HA3 -0.247 3.713 3.960 0.000 0.000 0.266 78 G C 0.244 175.185 174.900 0.069 0.000 0.978 78 G CA 1.127 46.260 45.100 0.056 0.000 0.632 78 G HN 1.590 nan 8.290 nan 0.000 0.537 79 D N 0.332 120.799 120.400 0.111 0.000 2.312 79 D HA 0.484 5.124 4.640 0.000 0.000 0.252 79 D C 0.263 176.694 176.300 0.218 0.000 1.150 79 D CA -0.262 53.826 54.000 0.146 0.000 0.870 79 D CB 1.246 42.141 40.800 0.158 0.000 1.153 79 D HN 0.153 nan 8.370 nan 0.000 0.457 80 V N 6.398 126.420 119.914 0.180 0.000 2.417 80 V HA 0.589 4.709 4.120 0.000 0.000 0.291 80 V C -0.368 175.890 176.094 0.274 0.000 1.024 80 V CA -0.630 61.773 62.300 0.172 0.000 0.861 80 V CB 0.824 32.680 31.823 0.054 0.000 0.985 80 V HN 0.624 nan 8.190 nan 0.000 0.436 81 W N 3.144 124.475 121.300 0.052 0.000 3.042 81 W HA 0.750 5.410 4.660 0.000 0.000 0.342 81 W C -1.146 175.362 176.519 -0.019 0.000 1.240 81 W CA -0.936 56.410 57.345 0.002 0.000 1.166 81 W CB 1.351 30.828 29.460 0.028 0.000 1.469 81 W HN 0.546 nan 8.180 nan 0.000 0.579 82 T N -1.175 113.454 114.554 0.124 0.000 2.848 82 T HA 0.373 4.723 4.350 0.000 0.000 0.285 82 T C -1.664 173.211 174.700 0.292 0.000 0.995 82 T CA -1.768 60.283 62.100 -0.081 0.000 0.970 82 T CB 2.615 71.291 68.868 -0.320 0.000 0.976 82 T HN 0.234 nan 8.240 nan 0.000 0.441 83 P HA -0.116 nan 4.420 nan 0.000 0.220 83 P C 1.421 179.019 177.300 0.496 0.000 1.148 83 P CA 0.889 64.293 63.100 0.506 0.000 0.803 83 P CB -0.083 31.811 31.700 0.323 0.000 0.782 84 S N -3.993 111.923 115.700 0.359 0.000 2.660 84 S HA -0.048 4.422 4.470 0.000 0.000 0.228 84 S C 1.076 175.845 174.600 0.282 0.000 0.966 84 S CA -0.073 58.353 58.200 0.378 0.000 0.940 84 S CB -1.260 62.127 63.200 0.313 0.000 0.773 84 S HN 0.218 nan 8.310 nan 0.000 0.535 85 W N 0.643 121.953 121.300 0.017 0.000 1.739 85 W HA -0.365 4.295 4.660 0.000 0.000 0.293 85 W C -0.113 176.314 176.519 -0.153 0.000 1.858 85 W CA 1.228 58.503 57.345 -0.116 0.000 2.194 85 W CB -1.539 27.723 29.460 -0.329 0.000 0.951 85 W HN 0.366 nan 8.180 nan 0.000 0.448 86 L N 3.420 124.572 121.223 -0.118 0.000 2.506 86 L HA -0.000 4.340 4.340 0.000 0.000 0.281 86 L C -0.750 175.797 176.870 -0.538 0.000 1.228 86 L CA -0.249 54.383 54.840 -0.346 0.000 0.850 86 L CB -0.224 41.756 42.059 -0.131 0.000 1.110 86 L HN 0.054 nan 8.230 nan 0.000 0.496 87 P HA -0.017 nan 4.420 nan 0.000 0.235 87 P C 1.322 178.321 177.300 -0.502 0.000 1.177 87 P CA 0.461 63.210 63.100 -0.586 0.000 0.785 87 P CB 0.482 31.817 31.700 -0.608 0.000 0.885 88 V N 0.516 120.135 119.914 -0.492 0.000 2.535 88 V HA -0.023 4.097 4.120 0.000 0.000 0.246 88 V C 1.023 176.856 176.094 -0.435 0.000 1.045 88 V CA 0.983 63.075 62.300 -0.345 0.000 1.058 88 V CB -1.308 30.398 31.823 -0.195 0.000 0.689 88 V HN 0.153 nan 8.190 nan 0.000 0.461 89 K N -0.684 119.284 120.400 -0.720 0.000 3.167 89 K HA -0.165 4.155 4.320 0.000 0.000 0.272 89 K C 0.254 176.579 176.600 -0.458 0.000 1.137 89 K CA 0.290 55.823 56.287 -1.257 0.000 0.800 89 K CB -1.737 30.031 32.500 -1.220 0.000 1.253 89 K HN 0.562 nan 8.250 nan 0.000 0.497 90 A N 1.058 123.775 122.820 -0.171 0.000 2.371 90 A HA 0.253 4.573 4.320 0.000 0.000 0.257 90 A C 0.147 177.838 177.584 0.179 0.000 1.089 90 A CA -0.386 51.672 52.037 0.034 0.000 0.794 90 A CB 0.371 19.435 19.000 0.107 0.000 1.029 90 A HN 0.216 nan 8.150 nan 0.000 0.488 91 D N 1.190 121.669 120.400 0.131 0.000 2.487 91 D HA 0.260 4.900 4.640 0.000 0.000 0.243 91 D C -0.199 176.108 176.300 0.011 0.000 1.154 91 D CA 0.953 55.026 54.000 0.122 0.000 0.876 91 D CB 0.404 41.229 40.800 0.042 0.000 1.161 91 D HN 0.366 nan 8.370 nan 0.000 0.478 92 L N 2.484 123.725 121.223 0.030 0.000 2.309 92 L HA 0.222 4.562 4.340 0.000 0.000 0.282 92 L C 1.437 178.225 176.870 -0.136 0.000 1.036 92 L CA -0.864 53.932 54.840 -0.073 0.000 0.806 92 L CB 1.494 43.592 42.059 0.065 0.000 1.220 92 L HN 0.197 nan 8.230 nan 0.000 0.429 93 D N 0.096 120.358 120.400 -0.230 0.000 2.144 93 D HA -0.071 4.569 4.640 0.000 0.000 0.200 93 D C 0.155 176.082 176.300 -0.620 0.000 0.978 93 D CA 1.669 55.430 54.000 -0.399 0.000 0.833 93 D CB 0.169 40.735 40.800 -0.390 0.000 0.961 93 D HN 0.548 nan 8.370 nan 0.000 0.470 94 H N -2.128 116.950 119.070 0.014 0.000 2.974 94 H HA 0.439 4.995 4.556 0.000 0.000 0.366 94 H C -1.453 173.957 175.328 0.136 0.000 1.155 94 H CA -0.802 55.276 56.048 0.050 0.000 1.186 94 H CB 1.984 31.759 29.762 0.022 0.000 1.799 94 H HN -0.134 nan 8.280 nan 0.000 0.541 95 F N 1.399 121.406 119.950 0.096 0.000 2.608 95 F HA 0.506 5.033 4.527 0.000 0.000 0.309 95 F C -1.579 174.246 175.800 0.042 0.000 1.103 95 F CA -0.311 57.721 58.000 0.055 0.000 0.954 95 F CB 2.029 41.010 39.000 -0.030 0.000 1.267 95 F HN 0.637 nan 8.300 nan 0.000 0.444 96 E N 4.026 123.505 120.200 -1.201 0.000 2.354 96 E HA 0.695 5.045 4.350 0.000 0.000 0.283 96 E C -2.108 173.978 176.600 -0.857 0.000 0.938 96 E CA -0.872 55.050 56.400 -0.796 0.000 0.777 96 E CB 1.945 31.463 29.700 -0.303 0.000 1.222 96 E HN 0.901 nan 8.360 nan 0.000 0.423 97 A N 4.434 126.957 122.820 -0.495 0.000 2.319 97 A HA 0.654 4.974 4.320 0.000 0.000 0.310 97 A C -0.844 176.604 177.584 -0.227 0.000 1.152 97 A CA -0.669 51.211 52.037 -0.262 0.000 0.783 97 A CB 0.908 19.877 19.000 -0.051 0.000 1.184 97 A HN 0.561 nan 8.150 nan 0.000 0.474 98 R N 2.444 122.846 120.500 -0.164 0.000 2.295 98 R HA 0.417 4.757 4.340 0.000 0.000 0.324 98 R C -1.228 175.032 176.300 -0.067 0.000 0.968 98 R CA -0.691 55.339 56.100 -0.117 0.000 0.837 98 R CB 1.085 31.372 30.300 -0.020 0.000 1.133 98 R HN 0.718 nan 8.270 nan 0.000 0.450 99 H N 1.215 120.268 119.070 -0.028 0.000 2.519 99 H HA 0.400 4.956 4.556 0.000 0.000 0.316 99 H C 0.352 175.602 175.328 -0.130 0.000 1.065 99 H CA -0.453 55.565 56.048 -0.051 0.000 1.264 99 H CB 1.885 31.622 29.762 -0.040 0.000 1.413 99 H HN 0.867 nan 8.280 nan 0.000 0.465 100 G N 1.773 110.382 108.800 -0.318 0.000 3.209 100 G HA2 0.435 4.396 3.960 0.000 0.000 0.236 100 G HA3 0.435 4.396 3.960 0.000 0.000 0.236 100 G C -0.683 173.719 174.900 -0.829 0.000 1.329 100 G CA -0.884 43.782 45.100 -0.723 0.000 1.015 100 G HN 0.486 nan 8.290 nan 0.000 0.571 101 L N 1.548 122.187 121.223 -0.973 0.000 2.334 101 L HA 0.430 4.770 4.340 0.000 0.000 0.286 101 L C 1.363 178.040 176.870 -0.322 0.000 1.108 101 L CA 0.497 54.641 54.840 -1.160 0.000 0.875 101 L CB 0.351 41.432 42.059 -1.629 0.000 1.246 101 L HN 1.052 nan 8.230 nan 0.000 0.439 102 G N 2.716 111.582 108.800 0.109 0.000 2.148 102 G HA2 -0.317 3.643 3.960 0.000 0.000 0.254 102 G HA3 -0.317 3.643 3.960 0.000 0.000 0.254 102 G C -0.187 174.991 174.900 0.464 0.000 0.981 102 G CA 0.626 45.992 45.100 0.443 0.000 0.670 102 G HN 0.762 nan 8.290 nan 0.000 0.528 103 Y N -2.109 118.343 120.300 0.253 0.000 2.670 103 Y HA 0.808 5.358 4.550 0.000 0.000 0.334 103 Y C -0.306 175.752 175.900 0.263 0.000 1.185 103 Y CA -1.006 57.262 58.100 0.280 0.000 1.053 103 Y CB 0.741 39.310 38.460 0.182 0.000 1.298 103 Y HN 0.427 nan 8.280 nan 0.000 0.459 104 S N 0.700 116.688 115.700 0.479 0.000 2.550 104 S HA 0.665 5.135 4.470 0.000 0.000 0.270 104 S C -1.428 173.462 174.600 0.483 0.000 1.145 104 S CA -1.172 57.267 58.200 0.399 0.000 0.852 104 S CB 2.064 65.514 63.200 0.417 0.000 1.119 104 S HN 0.651 nan 8.310 nan 0.000 0.465 105 R N 1.090 121.786 120.500 0.326 0.000 2.599 105 R HA 0.685 5.025 4.340 0.000 0.000 0.295 105 R C -1.209 175.187 176.300 0.160 0.000 0.963 105 R CA -0.568 55.682 56.100 0.251 0.000 0.883 105 R CB 1.562 31.960 30.300 0.162 0.000 1.171 105 R HN 0.532 nan 8.270 nan 0.000 0.450 106 I N 1.605 122.288 120.570 0.189 0.000 2.499 106 I HA 0.320 4.490 4.170 0.000 0.000 0.288 106 I C -0.620 175.528 176.117 0.051 0.000 1.048 106 I CA -0.570 60.785 61.300 0.091 0.000 1.062 106 I CB 2.609 40.772 38.000 0.271 0.000 1.238 106 I HN 0.483 nan 8.210 nan 0.000 0.426 107 T N 3.870 118.349 114.554 -0.125 0.000 2.848 107 T HA 0.668 5.018 4.350 0.000 0.000 0.285 107 T C -0.155 174.563 174.700 0.030 0.000 0.995 107 T CA -0.748 61.338 62.100 -0.022 0.000 0.970 107 T CB 1.933 70.774 68.868 -0.045 0.000 0.976 107 T HN 0.803 nan 8.240 nan 0.000 0.441 108 G N 1.511 110.471 108.800 0.266 0.000 2.643 108 G HA2 0.637 4.597 3.960 0.000 0.000 0.305 108 G HA3 0.637 4.597 3.960 0.000 0.000 0.305 108 G C -1.515 173.621 174.900 0.395 0.000 1.387 108 G CA -0.526 44.826 45.100 0.420 0.000 0.982 108 G HN 0.672 nan 8.290 nan 0.000 0.501 109 E N 1.102 121.419 120.200 0.195 0.000 2.222 109 E HA 0.674 5.024 4.350 0.000 0.000 0.267 109 E C -0.716 175.693 176.600 -0.317 0.000 0.884 109 E CA -0.969 55.467 56.400 0.061 0.000 0.764 109 E CB 1.937 31.739 29.700 0.170 0.000 1.169 109 E HN 0.507 nan 8.360 nan 0.000 0.413 110 R N 3.665 123.787 120.500 -0.630 0.000 2.510 110 R HA 0.220 4.560 4.340 0.000 0.000 0.287 110 R C -1.057 174.990 176.300 -0.422 0.000 1.084 110 R CA -0.406 55.214 56.100 -0.801 0.000 0.934 110 R CB 0.636 29.916 30.300 -1.699 0.000 1.201 110 R HN 0.686 nan 8.270 nan 0.000 0.431 111 N N 3.000 121.563 118.700 -0.228 0.000 2.705 111 N HA -0.208 4.532 4.740 0.000 0.000 0.255 111 N C 0.519 176.030 175.510 0.001 0.000 1.008 111 N CA 1.894 54.891 53.050 -0.088 0.000 0.742 111 N CB -0.948 37.499 38.487 -0.068 0.000 0.906 111 N HN 1.116 nan 8.380 nan 0.000 0.541 112 G N -2.509 106.302 108.800 0.017 0.000 2.176 112 G HA2 -0.300 3.660 3.960 0.000 0.000 0.253 112 G HA3 -0.300 3.660 3.960 0.000 0.000 0.253 112 G C -0.358 174.609 174.900 0.112 0.000 0.979 112 G CA 0.279 45.417 45.100 0.063 0.000 0.641 112 G HN 0.358 nan 8.290 nan 0.000 0.530 113 L N 0.796 122.118 121.223 0.166 0.000 2.319 113 L HA 0.610 4.951 4.340 0.000 0.000 0.281 113 L C 0.229 177.293 176.870 0.323 0.000 1.005 113 L CA -1.177 53.827 54.840 0.273 0.000 0.828 113 L CB 1.641 43.955 42.059 0.426 0.000 1.227 113 L HN 0.253 nan 8.230 nan 0.000 0.415 114 K N 2.858 123.407 120.400 0.249 0.000 2.211 114 K HA 0.676 4.996 4.320 0.000 0.000 0.275 114 K C -1.345 175.412 176.600 0.262 0.000 1.024 114 K CA -0.428 56.008 56.287 0.249 0.000 0.887 114 K CB 1.168 33.758 32.500 0.149 0.000 1.084 114 K HN 0.372 nan 8.250 nan 0.000 0.463 115 V N 4.466 124.569 119.914 0.315 0.000 2.443 115 V HA 0.251 4.371 4.120 0.000 0.000 0.293 115 V C -0.741 175.456 176.094 0.170 0.000 1.021 115 V CA -0.745 61.680 62.300 0.207 0.000 0.848 115 V CB 1.422 33.333 31.823 0.146 0.000 0.998 115 V HN 0.848 nan 8.190 nan 0.000 0.424 116 E N 3.012 123.279 120.200 0.112 0.000 2.171 116 E HA 0.641 4.991 4.350 0.000 0.000 0.271 116 E C -1.126 175.508 176.600 0.055 0.000 0.916 116 E CA -0.435 56.015 56.400 0.083 0.000 0.774 116 E CB 1.793 31.527 29.700 0.057 0.000 1.128 116 E HN 0.647 nan 8.360 nan 0.000 0.403 117 T N 4.517 119.103 114.554 0.054 0.000 2.809 117 T HA 0.284 4.634 4.350 0.000 0.000 0.284 117 T C -0.773 173.904 174.700 -0.039 0.000 0.992 117 T CA -0.656 61.402 62.100 -0.070 0.000 0.957 117 T CB 0.756 69.484 68.868 -0.234 0.000 0.942 117 T HN 0.409 nan 8.240 nan 0.000 0.439 118 L N 4.297 125.480 121.223 -0.067 0.000 2.265 118 L HA 0.688 5.028 4.340 0.000 0.000 0.288 118 L C -1.569 175.323 176.870 0.037 0.000 1.058 118 L CA -0.288 54.585 54.840 0.054 0.000 0.809 118 L CB -0.316 41.743 42.059 -0.001 0.000 1.179 118 L HN 0.510 nan 8.230 nan 0.000 0.429 119 F N 6.875 126.999 119.950 0.291 0.000 2.458 119 F HA 0.709 5.236 4.527 0.000 0.000 0.336 119 F C -0.126 175.973 175.800 0.498 0.000 1.114 119 F CA -0.357 57.843 58.000 0.334 0.000 0.987 119 F CB 1.400 40.541 39.000 0.234 0.000 1.130 119 F HN 0.572 nan 8.300 nan 0.000 0.458 120 F N 0.064 120.185 119.950 0.286 0.000 2.741 120 F HA 0.767 5.294 4.527 0.000 0.000 0.311 120 F C -2.258 173.615 175.800 0.122 0.000 1.149 120 F CA -1.423 56.718 58.000 0.236 0.000 0.930 120 F CB 1.073 40.218 39.000 0.241 0.000 1.312 120 F HN 0.037 nan 8.300 nan 0.000 0.450 121 V N 2.718 122.613 119.914 -0.032 0.000 2.347 121 V HA 0.443 4.564 4.120 0.000 0.000 0.280 121 V C -2.224 173.713 176.094 -0.260 0.000 1.021 121 V CA -1.854 60.295 62.300 -0.252 0.000 0.847 121 V CB 1.246 33.059 31.823 -0.016 0.000 0.990 121 V HN 0.568 nan 8.190 nan 0.000 0.444 122 P HA 0.257 nan 4.420 nan 0.000 0.274 122 P C -0.364 176.899 177.300 -0.062 0.000 1.231 122 P CA -0.419 62.600 63.100 -0.135 0.000 0.790 122 P CB 0.580 32.222 31.700 -0.097 0.000 0.951 123 L N 1.501 122.719 121.223 -0.009 0.000 2.453 123 L HA 0.248 4.589 4.340 0.000 0.000 0.272 123 L C 1.758 178.590 176.870 -0.064 0.000 1.182 123 L CA 0.839 55.614 54.840 -0.110 0.000 0.858 123 L CB -0.747 41.195 42.059 -0.195 0.000 1.120 123 L HN 0.802 nan 8.230 nan 0.000 0.474 124 G N 1.129 109.883 108.800 -0.077 0.000 2.184 124 G HA2 -0.214 3.746 3.960 0.000 0.000 0.264 124 G HA3 -0.214 3.746 3.960 0.000 0.000 0.264 124 G C 0.161 175.040 174.900 -0.036 0.000 0.975 124 G CA -0.158 44.918 45.100 -0.040 0.000 0.642 124 G HN 0.566 nan 8.290 nan 0.000 0.536 125 E N 0.044 120.199 120.200 -0.075 0.000 2.212 125 E HA 0.359 4.710 4.350 0.000 0.000 0.268 125 E C -0.407 176.046 176.600 -0.245 0.000 0.902 125 E CA -0.775 55.555 56.400 -0.116 0.000 0.779 125 E CB 0.913 30.550 29.700 -0.105 0.000 1.172 125 E HN 0.404 nan 8.360 nan 0.000 0.409 126 N N 0.929 119.470 118.700 -0.266 0.000 3.229 126 N HA 0.410 5.150 4.740 0.000 0.000 0.275 126 N C -0.836 174.000 175.510 -1.123 0.000 1.225 126 N CA -0.154 52.587 53.050 -0.514 0.000 1.119 126 N CB 0.865 39.368 38.487 0.028 0.000 1.392 126 N HN 0.378 nan 8.380 nan 0.000 0.520 127 A N 0.701 122.676 122.820 -1.408 0.000 2.594 127 A HA 0.463 4.783 4.320 0.000 0.000 0.295 127 A C -1.304 175.791 177.584 -0.815 0.000 1.071 127 A CA -0.765 50.635 52.037 -1.061 0.000 0.685 127 A CB 1.480 20.166 19.000 -0.523 0.000 1.285 127 A HN 0.378 nan 8.150 nan 0.000 0.405 128 E N 1.375 121.387 120.200 -0.314 0.000 2.145 128 E HA 0.571 4.921 4.350 0.000 0.000 0.270 128 E C -1.502 175.010 176.600 -0.146 0.000 0.906 128 E CA -0.442 55.904 56.400 -0.090 0.000 0.761 128 E CB 1.388 31.218 29.700 0.217 0.000 1.116 128 E HN 0.421 nan 8.360 nan 0.000 0.408 129 V N 4.640 124.347 119.914 -0.344 0.000 2.483 129 V HA 0.283 4.404 4.120 0.000 0.000 0.295 129 V C -0.315 175.761 176.094 -0.030 0.000 1.035 129 V CA -0.623 61.481 62.300 -0.326 0.000 0.896 129 V CB 1.602 32.962 31.823 -0.773 0.000 0.986 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 Q N 3.253 123.068 119.800 0.026 0.000 2.330 130 Q HA 0.467 4.807 4.340 0.000 0.000 0.269 130 Q C -0.723 175.311 176.000 0.056 0.000 1.022 130 Q CA -0.597 55.174 55.803 -0.054 0.000 0.796 130 Q CB 2.721 31.369 28.738 -0.150 0.000 1.271 130 Q HN 0.600 nan 8.270 nan 0.000 0.450 131 K N 2.854 123.270 120.400 0.028 0.000 2.316 131 K HA 0.394 4.714 4.320 0.000 0.000 0.267 131 K C -1.260 175.356 176.600 0.028 0.000 1.025 131 K CA -0.419 55.901 56.287 0.056 0.000 0.896 131 K CB 0.995 33.529 32.500 0.056 0.000 1.124 131 K HN 0.378 nan 8.250 nan 0.000 0.451 132 V N 3.634 123.604 119.914 0.095 0.000 2.439 132 V HA 0.259 4.380 4.120 0.000 0.000 0.282 132 V C -0.149 175.988 176.094 0.071 0.000 1.039 132 V CA -0.372 61.986 62.300 0.095 0.000 0.913 132 V CB 1.650 33.605 31.823 0.219 0.000 0.983 132 V HN 0.789 nan 8.190 nan 0.000 0.460 133 T N 4.514 119.102 114.554 0.057 0.000 2.833 133 T HA 0.396 4.746 4.350 0.000 0.000 0.297 133 T C -0.683 174.058 174.700 0.068 0.000 1.015 133 T CA -0.213 61.918 62.100 0.051 0.000 0.963 133 T CB 1.386 70.274 68.868 0.034 0.000 0.955 133 T HN 0.532 nan 8.240 nan 0.000 0.449 134 V N 4.656 124.613 119.914 0.071 0.000 2.398 134 V HA 0.773 4.894 4.120 0.000 0.000 0.286 134 V C -0.536 175.607 176.094 0.082 0.000 1.026 134 V CA 0.058 62.411 62.300 0.089 0.000 0.868 134 V CB 1.493 33.369 31.823 0.088 0.000 0.982 134 V HN 0.880 nan 8.190 nan 0.000 0.443 135 T N 5.827 120.440 114.554 0.098 0.000 2.861 135 T HA 0.356 4.706 4.350 0.000 0.000 0.287 135 T C -0.532 174.225 174.700 0.095 0.000 1.003 135 T CA -0.373 61.775 62.100 0.081 0.000 0.977 135 T CB 1.159 70.067 68.868 0.067 0.000 0.996 135 T HN 0.793 nan 8.240 nan 0.000 0.448 136 N N 1.953 120.700 118.700 0.077 0.000 2.406 136 N HA 0.132 4.872 4.740 0.000 0.000 0.251 136 N C 1.046 176.595 175.510 0.064 0.000 1.069 136 N CA -0.285 52.811 53.050 0.078 0.000 0.947 136 N CB 0.893 39.419 38.487 0.065 0.000 1.111 136 N HN 0.715 nan 8.380 nan 0.000 0.497 137 T N -0.659 113.938 114.554 0.070 0.000 3.069 137 T HA 0.121 4.471 4.350 0.000 0.000 0.252 137 T C 0.921 175.651 174.700 0.049 0.000 1.053 137 T CA -0.272 61.863 62.100 0.057 0.000 0.964 137 T CB -0.308 68.599 68.868 0.066 0.000 1.005 137 T HN 0.390 nan 8.240 nan 0.000 0.532 138 S N 1.922 117.652 115.700 0.050 0.000 2.686 138 S HA 0.304 4.774 4.470 0.000 0.000 0.270 138 S C 0.665 175.286 174.600 0.034 0.000 1.194 138 S CA -0.141 58.084 58.200 0.041 0.000 0.990 138 S CB 1.021 64.246 63.200 0.043 0.000 1.029 138 S HN 0.338 nan 8.310 nan 0.000 0.560 139 D N -0.377 120.040 120.400 0.029 0.000 2.325 139 D HA 0.385 5.026 4.640 0.000 0.000 0.225 139 D C 0.223 176.538 176.300 0.025 0.000 1.096 139 D CA -0.069 53.946 54.000 0.024 0.000 0.844 139 D CB -0.263 40.549 40.800 0.020 0.000 0.925 139 D HN 0.685 nan 8.370 nan 0.000 0.513 140 A N 0.525 123.363 122.820 0.029 0.000 2.515 140 A HA 0.655 4.976 4.320 0.000 0.000 0.296 140 A C -2.839 174.765 177.584 0.033 0.000 1.094 140 A CA -1.727 50.327 52.037 0.028 0.000 0.718 140 A CB 1.418 20.435 19.000 0.027 0.000 1.307 140 A HN -0.085 nan 8.150 nan 0.000 0.408 141 P HA 0.202 nan 4.420 nan 0.000 0.266 141 P C -0.893 176.432 177.300 0.042 0.000 1.195 141 P CA 0.433 63.554 63.100 0.034 0.000 0.768 141 P CB 0.443 32.160 31.700 0.029 0.000 0.838 142 K N 0.944 121.374 120.400 0.049 0.000 2.435 142 K HA 0.612 4.933 4.320 0.000 0.000 0.251 142 K C -0.226 176.411 176.600 0.060 0.000 0.954 142 K CA -0.618 55.706 56.287 0.061 0.000 0.820 142 K CB 2.371 34.918 32.500 0.077 0.000 1.292 142 K HN 0.478 nan 8.250 nan 0.000 0.436 143 T N -1.716 112.878 114.554 0.067 0.000 2.900 143 T HA 0.869 5.219 4.350 0.000 0.000 0.295 143 T C -1.003 173.744 174.700 0.079 0.000 1.044 143 T CA -0.843 61.295 62.100 0.062 0.000 0.995 143 T CB 1.998 70.896 68.868 0.049 0.000 1.072 143 T HN 0.677 nan 8.240 nan 0.000 0.473 144 A N 1.378 124.240 122.820 0.070 0.000 2.610 144 A HA 0.800 5.120 4.320 0.000 0.000 0.291 144 A C -0.591 177.021 177.584 0.046 0.000 1.086 144 A CA -0.995 51.090 52.037 0.081 0.000 0.677 144 A CB 1.424 20.483 19.000 0.099 0.000 1.278 144 A HN 0.930 nan 8.150 nan 0.000 0.414 145 T N 1.897 116.483 114.554 0.054 0.000 2.807 145 T HA 0.599 4.949 4.350 0.000 0.000 0.279 145 T C -0.531 174.129 174.700 -0.066 0.000 0.993 145 T CA -0.280 61.790 62.100 -0.051 0.000 0.970 145 T CB 0.655 69.479 68.868 -0.073 0.000 0.950 145 T HN 0.464 nan 8.240 nan 0.000 0.441 146 L N 3.494 124.626 121.223 -0.151 0.000 2.295 146 L HA 0.585 4.925 4.340 0.000 0.000 0.285 146 L C -0.970 175.804 176.870 -0.160 0.000 1.035 146 L CA -0.806 54.012 54.840 -0.037 0.000 0.806 146 L CB 0.841 42.926 42.059 0.043 0.000 1.214 146 L HN 0.598 nan 8.230 nan 0.000 0.426 147 F N 0.954 121.039 119.950 0.225 0.000 2.402 147 F HA 0.303 4.830 4.527 0.000 0.000 0.355 147 F C 0.724 176.743 175.800 0.365 0.000 1.123 147 F CA -0.626 57.569 58.000 0.325 0.000 1.021 147 F CB 1.906 41.136 39.000 0.384 0.000 1.160 147 F HN 0.444 nan 8.300 nan 0.000 0.451 148 S N 2.893 118.844 115.700 0.418 0.000 2.610 148 S HA 0.694 5.164 4.470 0.000 0.000 0.273 148 S C -1.019 173.827 174.600 0.411 0.000 1.274 148 S CA -0.561 57.833 58.200 0.324 0.000 1.023 148 S CB 1.670 64.992 63.200 0.203 0.000 0.962 148 S HN 0.517 nan 8.310 nan 0.000 0.523 149 F N 1.104 121.149 119.950 0.158 0.000 2.607 149 F HA 0.656 5.184 4.527 0.000 0.000 0.322 149 F C -1.310 174.319 175.800 -0.284 0.000 1.176 149 F CA -0.659 57.294 58.000 -0.078 0.000 0.977 149 F CB 1.496 40.570 39.000 0.124 0.000 1.242 149 F HN 0.659 nan 8.300 nan 0.000 0.465 150 V N 5.682 124.843 119.914 -1.255 0.000 2.971 150 V HA 0.463 4.583 4.120 0.000 0.000 0.309 150 V C -1.397 173.757 176.094 -1.567 0.000 1.130 150 V CA -0.421 61.090 62.300 -1.315 0.000 0.964 150 V CB 2.172 33.142 31.823 -1.421 0.000 1.029 150 V HN 0.831 nan 8.190 nan 0.000 0.427 151 E N 3.955 123.488 120.200 -1.112 0.000 2.151 151 E HA 0.450 4.800 4.350 0.000 0.000 0.275 151 E C -1.451 174.772 176.600 -0.628 0.000 0.936 151 E CA -0.579 55.336 56.400 -0.810 0.000 0.777 151 E CB 1.084 30.562 29.700 -0.371 0.000 1.108 151 E HN 0.508 nan 8.360 nan 0.000 0.401 152 F N 2.638 122.343 119.950 -0.408 0.000 2.418 152 F HA 0.176 4.704 4.527 0.000 0.000 0.341 152 F C 0.760 176.364 175.800 -0.326 0.000 1.120 152 F CA -0.690 57.026 58.000 -0.472 0.000 1.232 152 F CB 0.741 39.209 39.000 -0.885 0.000 1.175 152 F HN 0.396 nan 8.300 nan 0.000 0.569 153 C N 4.488 123.753 119.300 -0.060 0.000 2.365 153 C HA 0.533 4.993 4.460 0.000 0.000 0.349 153 C C 0.814 175.764 174.990 -0.066 0.000 1.191 153 C CA -0.910 58.080 59.018 -0.047 0.000 2.114 153 C CB -0.023 27.693 27.740 -0.040 0.000 2.367 153 C HN 0.750 nan 8.230 nan 0.000 0.530 154 L N 5.186 126.440 121.223 0.052 0.000 2.862 154 L HA 0.208 4.548 4.340 0.000 0.000 0.240 154 L C 0.476 177.501 176.870 0.259 0.000 1.283 154 L CA 0.275 55.204 54.840 0.149 0.000 1.117 154 L CB -0.912 41.262 42.059 0.192 0.000 1.444 154 L HN 1.050 nan 8.230 nan 0.000 0.456 155 W N -2.150 119.291 121.300 0.235 0.000 0.426 155 W HA -0.342 4.318 4.660 0.000 0.000 0.214 155 W C 1.141 177.751 176.519 0.152 0.000 0.914 155 W CA 0.734 58.212 57.345 0.223 0.000 0.347 155 W CB -1.059 28.553 29.460 0.254 0.000 1.904 155 W HN 0.309 nan 8.180 nan 0.000 1.103 156 N N 1.795 120.714 118.700 0.365 0.000 2.402 156 N HA 0.389 5.129 4.740 0.000 0.000 0.252 156 N C 0.749 176.322 175.510 0.105 0.000 1.118 156 N CA 0.925 54.090 53.050 0.192 0.000 0.945 156 N CB 1.316 39.890 38.487 0.144 0.000 1.147 156 N HN 0.301 nan 8.380 nan 0.000 0.495 157 A N 3.908 126.768 122.820 0.065 0.000 1.930 157 A HA -0.197 4.123 4.320 0.000 0.000 0.217 157 A C 1.986 179.557 177.584 -0.021 0.000 1.175 157 A CA 1.389 53.430 52.037 0.006 0.000 0.627 157 A CB -0.441 18.541 19.000 -0.030 0.000 0.815 157 A HN 0.834 nan 8.150 nan 0.000 0.443 158 Q N -0.244 119.545 119.800 -0.018 0.000 2.050 158 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 158 Q C 1.768 177.735 176.000 -0.055 0.000 0.980 158 Q CA 2.187 57.969 55.803 -0.035 0.000 0.840 158 Q CB -0.306 28.418 28.738 -0.024 0.000 0.898 158 Q HN 0.669 nan 8.270 nan 0.000 0.424 159 D N -0.344 120.033 120.400 -0.038 0.000 2.117 159 D HA -0.201 4.439 4.640 0.000 0.000 0.197 159 D C 1.457 177.671 176.300 -0.143 0.000 0.987 159 D CA 1.548 55.507 54.000 -0.068 0.000 0.829 159 D CB -0.189 40.605 40.800 -0.011 0.000 0.961 159 D HN 0.438 nan 8.370 nan 0.000 0.460 160 D N -0.909 119.438 120.400 -0.088 0.000 2.178 160 D HA -0.150 4.490 4.640 0.000 0.000 0.201 160 D C 1.699 177.856 176.300 -0.239 0.000 0.980 160 D CA 1.039 54.978 54.000 -0.102 0.000 0.842 160 D CB 0.119 40.918 40.800 -0.002 0.000 0.948 160 D HN 0.319 nan 8.370 nan 0.000 0.472 161 Q N -1.513 118.171 119.800 -0.194 0.000 2.356 161 Q HA 0.097 4.437 4.340 0.000 0.000 0.205 161 Q C 1.205 177.081 176.000 -0.207 0.000 0.901 161 Q CA 1.090 56.819 55.803 -0.124 0.000 0.938 161 Q CB 0.914 29.638 28.738 -0.023 0.000 1.081 161 Q HN 0.383 nan 8.270 nan 0.000 0.517 162 T N -4.298 110.053 114.554 -0.339 0.000 2.993 162 T HA 0.120 4.471 4.350 0.000 0.000 0.260 162 T C 0.720 175.283 174.700 -0.229 0.000 0.939 162 T CA -0.227 61.759 62.100 -0.190 0.000 0.886 162 T CB 0.094 68.910 68.868 -0.086 0.000 1.209 162 T HN -0.098 nan 8.240 nan 0.000 0.518 163 N N 0.467 118.941 118.700 -0.378 0.000 2.610 163 N HA 0.331 5.072 4.740 0.000 0.000 0.309 163 N C -0.084 175.297 175.510 -0.214 0.000 1.536 163 N CA -0.772 52.150 53.050 -0.212 0.000 0.954 163 N CB -0.270 38.138 38.487 -0.133 0.000 1.310 163 N HN 0.284 nan 8.380 nan 0.000 0.502 164 Y N 0.353 120.656 120.300 0.005 0.000 2.256 164 Y HA -0.260 4.290 4.550 0.000 0.000 0.288 164 Y C 2.359 178.217 175.900 -0.071 0.000 1.155 164 Y CA 1.439 59.524 58.100 -0.024 0.000 1.203 164 Y CB -0.378 38.088 38.460 0.009 0.000 0.980 164 Y HN 0.403 nan 8.280 nan 0.000 0.530 165 Q N 1.100 120.950 119.800 0.084 0.000 2.152 165 Q HA -0.254 4.086 4.340 0.000 0.000 0.206 165 Q C 2.058 178.047 176.000 -0.019 0.000 0.985 165 Q CA 2.294 58.111 55.803 0.023 0.000 0.863 165 Q CB -0.468 28.285 28.738 0.025 0.000 0.904 165 Q HN 0.548 nan 8.270 nan 0.000 0.422 166 R N 0.471 120.956 120.500 -0.025 0.000 2.074 166 R HA -0.010 4.331 4.340 0.000 0.000 0.218 166 R C 1.579 177.848 176.300 -0.052 0.000 1.137 166 R CA 1.067 57.146 56.100 -0.036 0.000 0.998 166 R CB -0.227 30.058 30.300 -0.025 0.000 0.895 166 R HN 0.546 nan 8.270 nan 0.000 0.442 167 N N 0.725 119.396 118.700 -0.048 0.000 2.515 167 N HA -0.083 4.657 4.740 0.000 0.000 0.185 167 N C 1.395 176.865 175.510 -0.066 0.000 1.109 167 N CA 0.769 53.798 53.050 -0.034 0.000 0.903 167 N CB -0.284 38.188 38.487 -0.026 0.000 0.969 167 N HN 0.339 nan 8.380 nan 0.000 0.450 168 L N -0.718 120.414 121.223 -0.151 0.000 2.551 168 L HA 0.118 4.459 4.340 0.000 0.000 0.228 168 L C 0.937 177.532 176.870 -0.458 0.000 1.153 168 L CA 0.520 55.110 54.840 -0.416 0.000 0.851 168 L CB -0.098 41.530 42.059 -0.718 0.000 0.959 168 L HN 0.199 nan 8.230 nan 0.000 0.451 169 S N -0.497 115.056 115.700 -0.246 0.000 2.559 169 S HA 0.199 4.669 4.470 0.000 0.000 0.226 169 S C 1.477 176.035 174.600 -0.070 0.000 1.000 169 S CA -0.278 57.819 58.200 -0.171 0.000 0.948 169 S CB 0.470 63.594 63.200 -0.127 0.000 0.870 169 S HN 0.454 nan 8.310 nan 0.000 0.497 170 I N -1.411 119.136 120.570 -0.037 0.000 4.057 170 I HA 0.434 4.604 4.170 0.000 0.000 0.334 170 I C 0.922 177.082 176.117 0.073 0.000 1.308 170 I CA -0.352 60.964 61.300 0.026 0.000 1.125 170 I CB -0.367 37.659 38.000 0.044 0.000 1.034 170 I HN 0.072 nan 8.210 nan 0.000 0.401 171 G N 2.458 111.307 108.800 0.082 0.000 2.313 171 G HA2 0.307 4.267 3.960 0.000 0.000 0.250 171 G HA3 0.307 4.267 3.960 0.000 0.000 0.250 171 G C -0.675 174.317 174.900 0.153 0.000 1.281 171 G CA 0.039 45.241 45.100 0.169 0.000 0.917 171 G HN 0.538 nan 8.290 nan 0.000 0.501 172 E N 0.095 120.392 120.200 0.162 0.000 2.314 172 E HA 0.492 4.842 4.350 0.000 0.000 0.272 172 E C -0.477 176.201 176.600 0.131 0.000 0.884 172 E CA -0.869 55.607 56.400 0.126 0.000 0.753 172 E CB 2.718 32.473 29.700 0.092 0.000 1.213 172 E HN 0.511 nan 8.360 nan 0.000 0.432 173 V N -1.128 118.866 119.914 0.132 0.000 3.141 173 V HA 0.673 4.793 4.120 0.000 0.000 0.312 173 V C -0.798 175.354 176.094 0.097 0.000 1.157 173 V CA -0.758 61.624 62.300 0.137 0.000 1.041 173 V CB 2.236 34.174 31.823 0.192 0.000 1.071 173 V HN 0.672 nan 8.190 nan 0.000 0.441 174 E N 0.287 120.559 120.200 0.120 0.000 2.317 174 E HA 0.703 5.053 4.350 0.000 0.000 0.270 174 E C -1.733 174.955 176.600 0.148 0.000 0.885 174 E CA -0.853 55.602 56.400 0.092 0.000 0.760 174 E CB 2.783 32.463 29.700 -0.033 0.000 1.227 174 E HN 0.633 nan 8.360 nan 0.000 0.434 175 V N 1.890 121.823 119.914 0.031 0.000 2.417 175 V HA 0.286 4.406 4.120 0.000 0.000 0.291 175 V C -0.290 175.776 176.094 -0.047 0.000 1.024 175 V CA -0.475 61.761 62.300 -0.107 0.000 0.861 175 V CB 1.503 33.053 31.823 -0.456 0.000 0.985 175 V HN 0.685 nan 8.190 nan 0.000 0.436 176 E N 3.144 123.358 120.200 0.023 0.000 2.675 176 E HA 0.271 4.621 4.350 0.000 0.000 0.236 176 E C 0.300 176.909 176.600 0.015 0.000 1.059 176 E CA -0.396 56.048 56.400 0.073 0.000 0.775 176 E CB 0.980 30.842 29.700 0.270 0.000 1.356 176 E HN 0.634 nan 8.360 nan 0.000 0.403 177 Q N 1.082 120.856 119.800 -0.044 0.000 2.230 177 Q HA -0.023 4.317 4.340 0.000 0.000 0.202 177 Q C -0.268 175.724 176.000 -0.014 0.000 0.963 177 Q CA 1.035 56.828 55.803 -0.017 0.000 0.866 177 Q CB 0.431 29.181 28.738 0.020 0.000 0.931 177 Q HN 0.525 nan 8.270 nan 0.000 0.452 178 D N 0.760 121.152 120.400 -0.014 0.000 2.683 178 D HA 0.265 4.905 4.640 0.000 0.000 0.309 178 D C 0.112 176.379 176.300 -0.056 0.000 1.238 178 D CA 0.021 54.001 54.000 -0.034 0.000 0.936 178 D CB 0.595 41.380 40.800 -0.024 0.000 1.001 178 D HN 0.044 nan 8.370 nan 0.000 0.505 179 G N 1.181 109.941 108.800 -0.065 0.000 2.557 179 G HA2 0.283 4.243 3.960 0.000 0.000 0.292 179 G HA3 0.283 4.243 3.960 0.000 0.000 0.292 179 G C -1.371 173.385 174.900 -0.240 0.000 1.237 179 G CA -0.856 44.173 45.100 -0.118 0.000 0.978 179 G HN -0.005 nan 8.290 nan 0.000 0.498 180 P HA -0.035 nan 4.420 nan 0.000 0.220 180 P C 0.661 177.516 177.300 -0.742 0.000 1.148 180 P CA 1.255 63.978 63.100 -0.629 0.000 0.803 180 P CB 0.189 31.375 31.700 -0.856 0.000 0.782 181 H N -2.644 116.356 119.070 -0.116 0.000 3.078 181 H HA 0.495 5.051 4.556 0.000 0.000 0.263 181 H C 1.143 176.406 175.328 -0.107 0.000 1.177 181 H CA 0.705 56.697 56.048 -0.093 0.000 1.128 181 H CB 1.152 30.872 29.762 -0.070 0.000 1.623 181 H HN 0.138 nan 8.280 nan 0.000 0.592 182 G N 0.327 109.093 108.800 -0.057 0.000 2.320 182 G HA2 -0.048 3.912 3.960 0.000 0.000 0.274 182 G HA3 -0.048 3.912 3.960 0.000 0.000 0.274 182 G C -1.254 173.568 174.900 -0.130 0.000 1.324 182 G CA -0.664 44.372 45.100 -0.107 0.000 0.957 182 G HN 0.090 nan 8.290 nan 0.000 0.481 183 S N -0.323 115.239 115.700 -0.231 0.000 2.585 183 S HA 0.859 5.330 4.470 0.000 0.000 0.277 183 S C 0.309 174.737 174.600 -0.287 0.000 1.241 183 S CA 0.370 58.416 58.200 -0.255 0.000 1.041 183 S CB 1.390 64.361 63.200 -0.381 0.000 0.987 183 S HN 1.897 nan 8.310 nan 0.000 0.512 184 A N 2.070 124.862 122.820 -0.047 0.000 2.572 184 A HA 0.825 5.145 4.320 0.000 0.000 0.295 184 A C -1.341 176.268 177.584 0.042 0.000 1.072 184 A CA -0.641 51.393 52.037 -0.004 0.000 0.691 184 A CB 0.956 19.887 19.000 -0.114 0.000 1.291 184 A HN 0.729 nan 8.150 nan 0.000 0.404 185 I N 0.841 121.393 120.570 -0.030 0.000 2.545 185 I HA 0.425 4.595 4.170 0.000 0.000 0.292 185 I C -1.519 174.473 176.117 -0.210 0.000 1.040 185 I CA -0.478 60.828 61.300 0.011 0.000 1.068 185 I CB 2.025 40.129 38.000 0.174 0.000 1.251 185 I HN 0.667 nan 8.210 nan 0.000 0.424 186 Y N 4.027 124.380 120.300 0.088 0.000 2.335 186 Y HA 0.343 4.893 4.550 0.000 0.000 0.338 186 Y C 0.079 175.949 175.900 -0.049 0.000 0.977 186 Y CA -0.523 57.575 58.100 -0.002 0.000 1.114 186 Y CB 1.109 39.455 38.460 -0.191 0.000 1.182 186 Y HN 0.453 nan 8.280 nan 0.000 0.463 187 H N 4.980 123.936 119.070 -0.191 0.000 2.556 187 H HA 0.278 4.834 4.556 0.000 0.000 0.310 187 H C -0.287 175.012 175.328 -0.049 0.000 1.057 187 H CA -0.548 55.256 56.048 -0.408 0.000 1.264 187 H CB 0.932 29.878 29.762 -1.360 0.000 1.404 187 H HN 0.913 nan 8.280 nan 0.000 0.462 188 K N 2.826 123.019 120.400 -0.344 0.000 2.644 188 K HA 0.160 4.480 4.320 0.000 0.000 0.198 188 K C -0.398 176.155 176.600 -0.078 0.000 1.113 188 K CA -0.502 55.681 56.287 -0.174 0.000 1.073 188 K CB 0.445 32.805 32.500 -0.234 0.000 0.811 188 K HN 0.217 nan 8.250 nan 0.000 0.508 189 T N 2.996 117.410 114.554 -0.233 0.000 2.849 189 T HA -0.078 4.272 4.350 0.000 0.000 0.289 189 T C 0.182 174.963 174.700 0.135 0.000 1.010 189 T CA 1.153 63.263 62.100 0.016 0.000 1.161 189 T CB 0.112 69.026 68.868 0.077 0.000 0.989 189 T HN 0.578 nan 8.240 nan 0.000 0.523 190 E N 0.369 120.636 120.200 0.111 0.000 3.916 190 E HA -0.299 4.052 4.350 0.000 0.000 0.331 190 E C 0.366 176.974 176.600 0.013 0.000 0.729 190 E CA 0.890 57.329 56.400 0.065 0.000 1.222 190 E CB -1.435 28.300 29.700 0.058 0.000 1.633 190 E HN 0.871 nan 8.360 nan 0.000 0.437 191 Y N 1.248 121.480 120.300 -0.112 0.000 2.274 191 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 191 Y C 2.529 178.434 175.900 0.009 0.000 1.145 191 Y CA 2.365 60.361 58.100 -0.174 0.000 1.203 191 Y CB -0.116 38.219 38.460 -0.209 0.000 0.984 191 Y HN 0.110 nan 8.280 nan 0.000 0.533 192 R N 0.506 121.192 120.500 0.310 0.000 2.140 192 R HA -0.273 4.067 4.340 0.000 0.000 0.250 192 R C 1.284 177.696 176.300 0.187 0.000 1.150 192 R CA 2.286 58.590 56.100 0.340 0.000 0.966 192 R CB -0.179 30.240 30.300 0.197 0.000 0.869 192 R HN 0.683 nan 8.270 nan 0.000 0.445 193 E N -1.328 118.909 120.200 0.061 0.000 3.770 193 E HA 0.127 4.477 4.350 0.000 0.000 0.331 193 E C 1.559 178.119 176.600 -0.067 0.000 0.714 193 E CA -0.634 55.772 56.400 0.011 0.000 1.547 193 E CB -0.299 29.408 29.700 0.011 0.000 2.420 193 E HN -0.001 nan 8.360 nan 0.000 0.501 194 R N 0.152 120.606 120.500 -0.078 0.000 2.240 194 R HA 0.205 4.545 4.340 0.000 0.000 0.203 194 R C 0.356 176.541 176.300 -0.191 0.000 1.011 194 R CA 0.142 56.181 56.100 -0.103 0.000 1.007 194 R CB -0.042 30.227 30.300 -0.051 0.000 0.911 194 R HN 0.102 nan 8.270 nan 0.000 0.468 195 R N 1.938 122.256 120.500 -0.304 0.000 2.340 195 R HA -0.001 4.339 4.340 0.000 0.000 0.300 195 R C 0.013 175.921 176.300 -0.654 0.000 1.069 195 R CA -0.085 55.659 56.100 -0.594 0.000 0.984 195 R CB 0.669 30.450 30.300 -0.866 0.000 1.003 195 R HN 0.152 nan 8.270 nan 0.000 0.459 196 D N 1.584 121.665 120.400 -0.531 0.000 2.342 196 D HA -0.035 4.605 4.640 0.000 0.000 0.221 196 D C -0.041 176.155 176.300 -0.174 0.000 1.101 196 D CA 0.114 53.874 54.000 -0.401 0.000 0.837 196 D CB 0.171 40.855 40.800 -0.193 0.000 0.938 196 D HN 0.552 nan 8.370 nan 0.000 0.508 197 H N -1.103 117.873 119.070 -0.158 0.000 2.690 197 H HA 0.536 5.092 4.556 0.000 0.000 0.368 197 H C -0.901 174.297 175.328 -0.216 0.000 1.150 197 H CA -1.010 54.809 56.048 -0.382 0.000 1.174 197 H CB 0.870 30.204 29.762 -0.713 0.000 1.684 197 H HN 0.073 nan 8.280 nan 0.000 0.538 198 Y N -0.162 120.023 120.300 -0.192 0.000 2.677 198 Y HA 0.810 5.360 4.550 0.000 0.000 0.334 198 Y C -1.282 174.727 175.900 0.183 0.000 1.154 198 Y CA -1.464 56.635 58.100 -0.001 0.000 1.070 198 Y CB 0.966 39.230 38.460 -0.327 0.000 1.294 198 Y HN 0.907 nan 8.280 nan 0.000 0.475 199 A N 0.873 123.985 122.820 0.486 0.000 2.337 199 A HA 0.782 5.103 4.320 0.000 0.000 0.331 199 A C -1.531 176.227 177.584 0.290 0.000 1.137 199 A CA -0.855 51.380 52.037 0.331 0.000 0.807 199 A CB 1.600 20.737 19.000 0.228 0.000 1.250 199 A HN 1.017 nan 8.150 nan 0.000 0.468 200 V N 1.601 121.657 119.914 0.236 0.000 2.680 200 V HA 0.736 4.856 4.120 0.000 0.000 0.309 200 V C -1.836 174.445 176.094 0.312 0.000 1.052 200 V CA -0.562 61.804 62.300 0.110 0.000 0.908 200 V CB 1.641 33.469 31.823 0.008 0.000 1.001 200 V HN 0.828 nan 8.190 nan 0.000 0.431 201 F N 5.427 125.444 119.950 0.111 0.000 2.434 201 F HA 0.877 5.404 4.527 0.000 0.000 0.355 201 F C 0.208 176.124 175.800 0.193 0.000 1.115 201 F CA -0.482 57.625 58.000 0.177 0.000 1.010 201 F CB 1.357 40.488 39.000 0.219 0.000 1.234 201 F HN 0.637 nan 8.300 nan 0.000 0.439 202 G N 3.493 112.179 108.800 -0.191 0.000 2.642 202 G HA2 0.640 4.600 3.960 0.000 0.000 0.293 202 G HA3 0.640 4.600 3.960 0.000 0.000 0.293 202 G C -2.282 172.426 174.900 -0.321 0.000 1.341 202 G CA -0.960 44.018 45.100 -0.204 0.000 0.916 202 G HN 0.646 nan 8.290 nan 0.000 0.474 203 V N 0.431 120.109 119.914 -0.392 0.000 2.841 203 V HA 0.442 4.562 4.120 0.000 0.000 0.310 203 V C -0.372 175.511 176.094 -0.350 0.000 1.090 203 V CA -1.044 60.963 62.300 -0.488 0.000 0.930 203 V CB 2.138 33.571 31.823 -0.649 0.000 1.014 203 V HN 0.878 nan 8.190 nan 0.000 0.425 204 N N 3.208 121.723 118.700 -0.308 0.000 2.715 204 N HA 0.089 4.829 4.740 0.000 0.000 0.254 204 N C -0.251 175.165 175.510 -0.156 0.000 1.306 204 N CA 0.372 53.321 53.050 -0.168 0.000 0.956 204 N CB 0.201 38.618 38.487 -0.118 0.000 1.296 204 N HN 0.616 nan 8.380 nan 0.000 0.512 205 T N -0.808 113.633 114.554 -0.188 0.000 2.840 205 T HA 0.226 4.576 4.350 0.000 0.000 0.317 205 T C -1.503 173.108 174.700 -0.148 0.000 1.401 205 T CA -0.841 61.170 62.100 -0.148 0.000 1.028 205 T CB 1.363 70.142 68.868 -0.150 0.000 1.317 205 T HN 0.114 nan 8.240 nan 0.000 0.495 206 R N 2.640 123.081 120.500 -0.098 0.000 2.272 206 R HA 0.536 4.876 4.340 0.000 0.000 0.334 206 R C 0.212 176.479 176.300 -0.057 0.000 1.117 206 R CA -0.141 55.912 56.100 -0.077 0.000 0.966 206 R CB -0.316 29.957 30.300 -0.046 0.000 1.049 206 R HN 0.769 nan 8.270 nan 0.000 0.477 207 A N 3.709 126.489 122.820 -0.067 0.000 2.483 207 A HA 0.028 4.348 4.320 0.000 0.000 0.238 207 A C 0.909 178.534 177.584 0.067 0.000 1.070 207 A CA -0.178 51.860 52.037 0.001 0.000 0.770 207 A CB 0.301 19.335 19.000 0.056 0.000 1.008 207 A HN 0.751 nan 8.150 nan 0.000 0.497 208 D N 0.962 121.393 120.400 0.052 0.000 2.144 208 D HA 0.055 4.695 4.640 0.000 0.000 0.199 208 D C 0.988 177.360 176.300 0.119 0.000 0.984 208 D CA 2.077 56.112 54.000 0.058 0.000 0.834 208 D CB 0.131 40.939 40.800 0.012 0.000 0.955 208 D HN 0.759 nan 8.370 nan 0.000 0.465 209 G N -0.810 108.095 108.800 0.175 0.000 2.548 209 G HA2 0.478 4.438 3.960 0.000 0.000 0.301 209 G HA3 0.478 4.438 3.960 0.000 0.000 0.301 209 G C -1.704 173.418 174.900 0.370 0.000 1.349 209 G CA -0.743 44.499 45.100 0.237 0.000 0.792 209 G HN 0.124 nan 8.290 nan 0.000 0.481 210 F N -1.742 118.319 119.950 0.185 0.000 2.685 210 F HA 0.855 5.382 4.527 0.000 0.000 0.315 210 F C -1.596 174.298 175.800 0.156 0.000 1.126 210 F CA -1.230 56.856 58.000 0.144 0.000 0.950 210 F CB 2.053 41.122 39.000 0.114 0.000 1.360 210 F HN 0.380 nan 8.300 nan 0.000 0.469 211 D N 0.105 120.662 120.400 0.261 0.000 2.857 211 D HA 0.317 4.957 4.640 0.000 0.000 0.227 211 D C -0.356 176.083 176.300 0.232 0.000 1.192 211 D CA -0.183 53.948 54.000 0.220 0.000 0.857 211 D CB 2.588 43.564 40.800 0.293 0.000 1.645 211 D HN 0.855 nan 8.370 nan 0.000 0.482 212 T N -2.034 112.678 114.554 0.263 0.000 3.004 212 T HA 0.158 4.508 4.350 0.000 0.000 0.266 212 T C 0.082 174.891 174.700 0.182 0.000 0.986 212 T CA -0.259 61.971 62.100 0.217 0.000 0.902 212 T CB 0.446 69.476 68.868 0.271 0.000 1.118 212 T HN 0.215 nan 8.240 nan 0.000 0.522 213 D N 0.803 121.312 120.400 0.182 0.000 2.344 213 D HA 0.401 5.041 4.640 0.000 0.000 0.239 213 D C 1.239 177.658 176.300 0.197 0.000 1.064 213 D CA -0.855 53.255 54.000 0.182 0.000 0.829 213 D CB 1.613 42.506 40.800 0.155 0.000 1.129 213 D HN -0.018 nan 8.370 nan 0.000 0.506 214 R N 2.848 123.484 120.500 0.227 0.000 2.083 214 R HA -0.156 4.184 4.340 0.000 0.000 0.237 214 R C 0.688 177.118 176.300 0.216 0.000 1.137 214 R CA 1.686 57.943 56.100 0.262 0.000 0.951 214 R CB 0.015 30.480 30.300 0.276 0.000 0.851 214 R HN 0.598 nan 8.270 nan 0.000 0.434 215 D N -0.530 119.959 120.400 0.148 0.000 2.144 215 D HA -0.124 4.517 4.640 0.000 0.000 0.199 215 D C 1.761 178.052 176.300 -0.016 0.000 0.984 215 D CA 1.842 55.852 54.000 0.018 0.000 0.834 215 D CB -0.281 40.466 40.800 -0.088 0.000 0.955 215 D HN 0.345 nan 8.370 nan 0.000 0.465 216 T N 0.567 115.136 114.554 0.024 0.000 2.746 216 T HA -0.148 4.202 4.350 0.000 0.000 0.267 216 T C 1.770 176.483 174.700 0.022 0.000 1.039 216 T CA 0.634 62.737 62.100 0.004 0.000 1.142 216 T CB -0.481 68.405 68.868 0.031 0.000 0.866 216 T HN 0.141 nan 8.240 nan 0.000 0.444 217 F N 1.635 121.564 119.950 -0.035 0.000 2.146 217 F HA -0.067 4.460 4.527 0.000 0.000 0.298 217 F C 2.139 177.849 175.800 -0.151 0.000 1.096 217 F CA 0.854 58.816 58.000 -0.063 0.000 1.275 217 F CB -0.202 38.828 39.000 0.049 0.000 1.008 217 F HN -0.095 nan 8.300 nan 0.000 0.480 218 V N 0.071 120.005 119.914 0.033 0.000 2.535 218 V HA 0.222 4.342 4.120 0.000 0.000 0.246 218 V C 1.077 177.048 176.094 -0.204 0.000 1.045 218 V CA 0.869 63.099 62.300 -0.117 0.000 1.058 218 V CB -1.194 30.625 31.823 -0.006 0.000 0.689 218 V HN 0.629 nan 8.190 nan 0.000 0.461 219 G N -0.133 108.564 108.800 -0.172 0.000 2.719 219 G HA2 0.211 4.171 3.960 0.000 0.000 0.686 219 G HA3 0.211 4.171 3.960 0.000 0.000 0.686 219 G C -0.208 174.536 174.900 -0.259 0.000 1.201 219 G CA -0.614 44.363 45.100 -0.205 0.000 0.768 219 G HN 1.022 nan 8.290 nan 0.000 0.629 220 A N 1.727 124.310 122.820 -0.395 0.000 2.520 220 A HA 0.603 4.923 4.320 0.000 0.000 0.235 220 A C 1.131 178.231 177.584 -0.805 0.000 1.065 220 A CA 1.608 53.176 52.037 -0.782 0.000 0.764 220 A CB -0.355 17.910 19.000 -1.224 0.000 1.002 220 A HN 2.197 nan 8.150 nan 0.000 0.502 221 Y N -1.250 119.003 120.300 -0.079 0.000 4.916 221 Y HA -0.237 4.314 4.550 0.000 0.000 0.247 221 Y C 0.396 176.245 175.900 -0.085 0.000 0.962 221 Y CA 0.525 58.580 58.100 -0.076 0.000 1.933 221 Y CB -2.490 35.927 38.460 -0.071 0.000 1.451 221 Y HN 0.689 nan 8.280 nan 0.000 0.539 222 N N 0.995 119.660 118.700 -0.058 0.000 2.487 222 N HA 0.499 5.239 4.740 0.000 0.000 0.292 222 N C 0.278 175.736 175.510 -0.088 0.000 1.108 222 N CA 0.071 53.077 53.050 -0.073 0.000 0.956 222 N CB 1.533 39.949 38.487 -0.119 0.000 1.176 222 N HN 0.317 nan 8.380 nan 0.000 0.484 223 S N 0.449 116.094 115.700 -0.090 0.000 2.655 223 S HA 0.273 4.743 4.470 0.000 0.000 0.265 223 S C 1.571 176.099 174.600 -0.121 0.000 1.240 223 S CA -0.672 57.467 58.200 -0.102 0.000 0.986 223 S CB 0.434 63.570 63.200 -0.106 0.000 0.985 223 S HN 0.496 nan 8.310 nan 0.000 0.562 224 L N 0.723 121.874 121.223 -0.121 0.000 2.127 224 L HA -0.028 4.312 4.340 0.000 0.000 0.211 224 L C 2.576 179.371 176.870 -0.125 0.000 1.089 224 L CA 1.430 56.188 54.840 -0.137 0.000 0.757 224 L CB -1.039 40.946 42.059 -0.124 0.000 0.899 224 L HN 1.005 nan 8.230 nan 0.000 0.434 225 G N -0.916 107.788 108.800 -0.160 0.000 2.848 225 G HA2 -0.106 3.854 3.960 0.000 0.000 0.208 225 G HA3 -0.106 3.854 3.960 0.000 0.000 0.208 225 G C 0.926 175.750 174.900 -0.126 0.000 1.152 225 G CA 0.081 45.075 45.100 -0.176 0.000 0.789 225 G HN 0.451 nan 8.290 nan 0.000 0.531 226 E N -0.192 119.929 120.200 -0.132 0.000 2.812 226 E HA 0.390 4.740 4.350 0.000 0.000 0.211 226 E C 0.698 177.169 176.600 -0.215 0.000 0.986 226 E CA -0.515 55.797 56.400 -0.146 0.000 1.119 226 E CB 1.067 30.692 29.700 -0.124 0.000 1.046 226 E HN 0.261 nan 8.360 nan 0.000 0.474 227 A N 0.919 123.570 122.820 -0.283 0.000 2.584 227 A HA -0.000 4.320 4.320 0.000 0.000 0.239 227 A C 1.288 178.522 177.584 -0.583 0.000 1.043 227 A CA 0.286 52.031 52.037 -0.488 0.000 0.756 227 A CB 0.323 18.876 19.000 -0.745 0.000 0.963 227 A HN 0.214 nan 8.150 nan 0.000 0.511 228 S N 1.923 117.300 115.700 -0.539 0.000 2.357 228 S HA -0.123 4.348 4.470 0.000 0.000 0.221 228 S C 1.955 176.209 174.600 -0.576 0.000 1.031 228 S CA 1.226 59.156 58.200 -0.450 0.000 0.982 228 S CB -0.393 62.612 63.200 -0.325 0.000 0.853 228 S HN 0.584 nan 8.310 nan 0.000 0.458 229 V N 3.098 122.515 119.914 -0.829 0.000 2.231 229 V HA -0.144 3.976 4.120 0.000 0.000 0.248 229 V C -0.738 174.728 176.094 -1.048 0.000 1.054 229 V CA 1.972 63.759 62.300 -0.856 0.000 1.015 229 V CB -1.700 29.540 31.823 -0.972 0.000 0.638 229 V HN 0.329 nan 8.190 nan 0.000 0.444 230 P HA -0.143 nan 4.420 nan 0.000 0.216 230 P C 1.705 178.624 177.300 -0.634 0.000 1.150 230 P CA 1.444 63.720 63.100 -1.373 0.000 0.837 230 P CB -0.133 30.943 31.700 -1.040 0.000 0.786 231 R N -0.553 119.653 120.500 -0.489 0.000 2.096 231 R HA -0.020 4.320 4.340 0.000 0.000 0.235 231 R C 2.145 178.326 176.300 -0.199 0.000 1.127 231 R CA 1.492 57.433 56.100 -0.265 0.000 0.968 231 R CB -0.800 29.361 30.300 -0.231 0.000 0.861 231 R HN 0.144 nan 8.270 nan 0.000 0.440 232 A N -0.195 122.478 122.820 -0.245 0.000 2.169 232 A HA 0.149 4.469 4.320 0.000 0.000 0.212 232 A C 1.476 179.012 177.584 -0.080 0.000 1.153 232 A CA 0.875 52.823 52.037 -0.148 0.000 0.756 232 A CB -0.115 18.792 19.000 -0.154 0.000 0.813 232 A HN 0.453 nan 8.150 nan 0.000 0.471 233 G N -1.245 107.502 108.800 -0.088 0.000 2.153 233 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 233 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 233 G C 0.086 175.153 174.900 0.278 0.000 0.994 233 G CA 0.782 45.962 45.100 0.133 0.000 0.698 233 G HN 0.686 nan 8.290 nan 0.000 0.521 234 K N 0.158 120.675 120.400 0.195 0.000 2.550 234 K HA 0.464 4.784 4.320 0.000 0.000 0.252 234 K C 0.125 176.843 176.600 0.196 0.000 0.943 234 K CA -0.482 55.935 56.287 0.217 0.000 0.806 234 K CB 1.287 33.835 32.500 0.080 0.000 1.289 234 K HN 0.109 nan 8.250 nan 0.000 0.435 235 S N 1.243 117.125 115.700 0.304 0.000 2.566 235 S HA 0.039 4.509 4.470 0.000 0.000 0.280 235 S C 0.926 175.525 174.600 -0.002 0.000 1.343 235 S CA 0.084 58.397 58.200 0.188 0.000 1.036 235 S CB 1.200 64.486 63.200 0.142 0.000 0.866 235 S HN 0.689 nan 8.310 nan 0.000 0.526 236 A N 1.418 124.208 122.820 -0.051 0.000 2.308 236 A HA 0.253 4.574 4.320 0.000 0.000 0.217 236 A C 0.188 177.639 177.584 -0.222 0.000 1.216 236 A CA -0.188 51.787 52.037 -0.103 0.000 0.864 236 A CB -0.251 18.707 19.000 -0.069 0.000 0.902 236 A HN 0.797 nan 8.150 nan 0.000 0.499 237 D N 0.752 120.860 120.400 -0.486 0.000 2.708 237 D HA -0.136 4.504 4.640 0.000 0.000 0.236 237 D C 0.216 176.223 176.300 -0.488 0.000 1.146 237 D CA 1.339 54.660 54.000 -1.131 0.000 0.662 237 D CB -1.988 38.329 40.800 -0.805 0.000 1.059 237 D HN 0.656 nan 8.370 nan 0.000 0.428 238 S N -1.617 113.981 115.700 -0.170 0.000 2.531 238 S HA 0.425 4.895 4.470 0.000 0.000 0.279 238 S C 0.301 175.061 174.600 0.267 0.000 1.305 238 S CA -0.842 57.405 58.200 0.078 0.000 1.058 238 S CB 2.199 65.454 63.200 0.093 0.000 0.899 238 S HN 0.080 nan 8.310 nan 0.000 0.493 239 V N 3.220 123.284 119.914 0.249 0.000 2.311 239 V HA 0.577 4.697 4.120 0.000 0.000 0.275 239 V C 0.815 177.025 176.094 0.193 0.000 1.022 239 V CA -0.737 61.720 62.300 0.261 0.000 0.830 239 V CB 0.169 32.128 31.823 0.228 0.000 1.012 239 V HN 1.152 nan 8.190 nan 0.000 0.452 240 A N 3.826 126.766 122.820 0.201 0.000 2.483 240 A HA 0.501 4.821 4.320 0.000 0.000 0.238 240 A C 0.545 178.229 177.584 0.167 0.000 1.070 240 A CA 0.237 52.386 52.037 0.187 0.000 0.770 240 A CB 0.473 19.596 19.000 0.205 0.000 1.008 240 A HN 0.903 nan 8.150 nan 0.000 0.497 241 S N 1.438 117.240 115.700 0.169 0.000 2.746 241 S HA 0.570 5.040 4.470 0.000 0.000 0.273 241 S C 0.321 175.015 174.600 0.155 0.000 1.172 241 S CA 0.747 59.033 58.200 0.144 0.000 1.116 241 S CB -0.444 62.833 63.200 0.129 0.000 1.057 241 S HN 2.718 nan 8.310 nan 0.000 0.483 242 G N 4.053 112.912 108.800 0.099 0.000 2.601 242 G HA2 -0.227 3.733 3.960 0.000 0.000 0.252 242 G HA3 -0.227 3.733 3.960 0.000 0.000 0.252 242 G C 0.181 175.118 174.900 0.061 0.000 1.294 242 G CA 0.475 45.576 45.100 0.002 0.000 0.912 242 G HN 1.240 nan 8.290 nan 0.000 0.574 243 W N -3.053 118.133 121.300 -0.191 0.000 2.152 243 W HA -0.204 4.456 4.660 0.000 0.000 0.285 243 W C 0.621 176.848 176.519 -0.486 0.000 1.275 243 W CA 2.081 59.111 57.345 -0.525 0.000 1.220 243 W CB -1.445 27.771 29.460 -0.407 0.000 0.889 243 W HN 0.889 nan 8.180 nan 0.000 0.529 244 Y N 0.902 121.425 120.300 0.372 0.000 2.575 244 Y HA 0.484 5.034 4.550 0.000 0.000 0.326 244 Y C -2.116 173.875 175.900 0.151 0.000 0.979 244 Y CA -2.915 55.316 58.100 0.219 0.000 1.286 244 Y CB 0.149 38.722 38.460 0.189 0.000 1.093 244 Y HN -0.321 nan 8.280 nan 0.000 0.501 245 P HA 0.260 nan 4.420 nan 0.000 0.276 245 P C -0.161 177.212 177.300 0.121 0.000 1.230 245 P CA -0.051 63.176 63.100 0.210 0.000 0.776 245 P CB 1.066 32.894 31.700 0.213 0.000 0.888 246 I N -0.489 120.095 120.570 0.023 0.000 3.206 246 I HA 0.927 5.097 4.170 0.000 0.000 0.313 246 I C -0.412 175.529 176.117 -0.293 0.000 1.103 246 I CA -1.408 59.654 61.300 -0.397 0.000 0.985 246 I CB 2.357 40.052 38.000 -0.509 0.000 1.240 246 I HN 0.305 nan 8.210 nan 0.000 0.464 247 G N 0.757 109.154 108.800 -0.671 0.000 2.544 247 G HA2 0.575 4.535 3.960 0.000 0.000 0.313 247 G HA3 0.575 4.535 3.960 0.000 0.000 0.313 247 G C -1.378 173.431 174.900 -0.152 0.000 1.316 247 G CA -0.460 44.527 45.100 -0.188 0.000 0.944 247 G HN 0.724 nan 8.290 nan 0.000 0.489 248 S N 1.772 117.429 115.700 -0.071 0.000 2.543 248 S HA 0.621 5.091 4.470 0.000 0.000 0.271 248 S C -1.415 173.116 174.600 -0.115 0.000 1.148 248 S CA -0.714 57.475 58.200 -0.019 0.000 0.914 248 S CB 0.997 64.082 63.200 -0.191 0.000 1.096 248 S HN 0.727 nan 8.310 nan 0.000 0.471 249 H N 0.955 120.192 119.070 0.279 0.000 2.690 249 H HA 0.637 5.193 4.556 0.000 0.000 0.368 249 H C -0.394 175.029 175.328 0.158 0.000 1.150 249 H CA -0.697 55.486 56.048 0.225 0.000 1.174 249 H CB 1.980 31.827 29.762 0.142 0.000 1.684 249 H HN 0.625 nan 8.280 nan 0.000 0.538 250 S N 1.556 117.360 115.700 0.173 0.000 2.475 250 S HA 0.705 5.176 4.470 0.000 0.000 0.298 250 S C -0.731 173.808 174.600 -0.102 0.000 1.119 250 S CA -0.746 57.340 58.200 -0.191 0.000 1.085 250 S CB 1.362 64.324 63.200 -0.398 0.000 1.028 250 S HN 0.317 nan 8.310 nan 0.000 0.489 251 V N 1.558 121.373 119.914 -0.165 0.000 2.623 251 V HA 0.747 4.867 4.120 0.000 0.000 0.304 251 V C -0.007 176.032 176.094 -0.093 0.000 1.054 251 V CA -0.815 61.439 62.300 -0.076 0.000 0.882 251 V CB 1.626 33.440 31.823 -0.016 0.000 1.002 251 V HN 1.214 nan 8.190 nan 0.000 0.424 252 A N 4.404 127.188 122.820 -0.060 0.000 2.301 252 A HA 0.880 5.200 4.320 0.000 0.000 0.298 252 A C -0.309 177.267 177.584 -0.013 0.000 1.185 252 A CA -0.430 51.585 52.037 -0.037 0.000 0.830 252 A CB 1.171 20.158 19.000 -0.022 0.000 1.112 252 A HN 1.551 nan 8.150 nan 0.000 0.508 253 V N 0.427 120.343 119.914 0.003 0.000 2.823 253 V HA 0.958 5.078 4.120 0.000 0.000 0.312 253 V C -0.298 175.812 176.094 0.027 0.000 1.072 253 V CA -0.069 62.241 62.300 0.016 0.000 0.937 253 V CB 1.497 33.336 31.823 0.027 0.000 1.013 253 V HN 1.246 nan 8.190 nan 0.000 0.430 254 T N 1.956 116.526 114.554 0.026 0.000 2.916 254 T HA 0.816 5.166 4.350 0.000 0.000 0.298 254 T C -1.012 173.707 174.700 0.031 0.000 1.031 254 T CA -0.625 61.493 62.100 0.030 0.000 0.993 254 T CB 1.533 70.415 68.868 0.023 0.000 1.045 254 T HN 0.867 nan 8.240 nan 0.000 0.454 255 L N 2.424 123.670 121.223 0.037 0.000 2.516 255 L HA 0.420 4.760 4.340 0.000 0.000 0.267 255 L C -0.318 176.573 176.870 0.036 0.000 0.957 255 L CA -1.127 53.736 54.840 0.038 0.000 0.860 255 L CB 2.412 44.501 42.059 0.049 0.000 1.265 255 L HN 0.570 nan 8.230 nan 0.000 0.403 256 Q N 2.593 122.410 119.800 0.029 0.000 2.454 256 Q HA 0.259 4.599 4.340 0.000 0.000 0.247 256 Q C -2.248 173.770 176.000 0.030 0.000 1.028 256 Q CA -1.799 54.020 55.803 0.026 0.000 0.910 256 Q CB 0.220 28.970 28.738 0.020 0.000 1.276 256 Q HN 0.238 nan 8.270 nan 0.000 0.489 257 P HA -0.039 nan 4.420 nan 0.000 0.262 257 P C 0.526 177.842 177.300 0.026 0.000 1.182 257 P CA 1.411 64.528 63.100 0.029 0.000 0.761 257 P CB 0.220 31.934 31.700 0.025 0.000 0.795 258 G N 1.626 110.444 108.800 0.030 0.000 2.205 258 G HA2 -0.283 3.678 3.960 0.000 0.000 0.261 258 G HA3 -0.283 3.678 3.960 0.000 0.000 0.261 258 G C 0.209 175.125 174.900 0.026 0.000 0.980 258 G CA 0.045 45.160 45.100 0.026 0.000 0.632 258 G HN 0.621 nan 8.290 nan 0.000 0.533 259 E N 0.913 121.130 120.200 0.029 0.000 2.313 259 E HA 0.605 4.956 4.350 0.000 0.000 0.272 259 E C 0.446 177.066 176.600 0.032 0.000 1.038 259 E CA 0.136 56.552 56.400 0.026 0.000 0.863 259 E CB 0.844 30.558 29.700 0.024 0.000 1.060 259 E HN 0.524 nan 8.360 nan 0.000 0.402 260 S N 3.506 119.222 115.700 0.027 0.000 2.634 260 S HA 0.661 5.131 4.470 0.000 0.000 0.296 260 S C -0.648 173.967 174.600 0.024 0.000 1.104 260 S CA -1.062 57.157 58.200 0.031 0.000 0.920 260 S CB 2.136 65.354 63.200 0.031 0.000 1.111 260 S HN 0.610 nan 8.310 nan 0.000 0.493 261 R N 0.190 120.707 120.500 0.027 0.000 2.744 261 R HA 0.586 4.926 4.340 0.000 0.000 0.279 261 R C -1.949 174.362 176.300 0.018 0.000 0.977 261 R CA -0.481 55.629 56.100 0.017 0.000 0.906 261 R CB 1.408 31.716 30.300 0.014 0.000 1.197 261 R HN 0.709 nan 8.270 nan 0.000 0.463 262 D N 3.308 123.710 120.400 0.004 0.000 2.192 262 D HA 0.412 5.052 4.640 0.000 0.000 0.246 262 D C -0.701 175.582 176.300 -0.028 0.000 1.042 262 D CA -0.216 53.784 54.000 0.001 0.000 0.847 262 D CB 1.823 42.620 40.800 -0.004 0.000 1.186 262 D HN 0.313 nan 8.370 nan 0.000 0.461 263 L N 0.856 122.059 121.223 -0.033 0.000 2.381 263 L HA 0.582 4.922 4.340 0.000 0.000 0.268 263 L C -0.669 176.098 176.870 -0.172 0.000 0.997 263 L CA -1.082 53.663 54.840 -0.159 0.000 0.818 263 L CB 2.295 44.240 42.059 -0.190 0.000 1.310 263 L HN -0.011 nan 8.230 nan 0.000 0.416 264 V N 2.191 121.934 119.914 -0.285 0.000 2.409 264 V HA 0.433 4.553 4.120 0.000 0.000 0.291 264 V C -1.028 174.853 176.094 -0.355 0.000 1.020 264 V CA -0.614 61.581 62.300 -0.176 0.000 0.848 264 V CB 1.344 33.139 31.823 -0.046 0.000 0.990 264 V HN 0.420 nan 8.190 nan 0.000 0.430 265 Y N 3.001 123.253 120.300 -0.080 0.000 2.409 265 Y HA 0.742 5.292 4.550 0.000 0.000 0.339 265 Y C 0.002 175.847 175.900 -0.092 0.000 1.033 265 Y CA -0.900 57.119 58.100 -0.135 0.000 1.094 265 Y CB 2.204 40.606 38.460 -0.096 0.000 1.210 265 Y HN 0.349 nan 8.280 nan 0.000 0.456 266 V N 4.435 124.372 119.914 0.039 0.000 2.577 266 V HA 0.329 4.449 4.120 0.000 0.000 0.303 266 V C -1.237 174.987 176.094 0.216 0.000 1.042 266 V CA -0.775 61.547 62.300 0.038 0.000 0.872 266 V CB 2.034 33.833 31.823 -0.040 0.000 0.998 266 V HN 0.536 nan 8.190 nan 0.000 0.423 267 L N 4.884 126.264 121.223 0.262 0.000 2.280 267 L HA 0.942 5.282 4.340 0.000 0.000 0.287 267 L C 0.276 177.252 176.870 0.176 0.000 1.023 267 L CA 0.462 55.511 54.840 0.349 0.000 0.819 267 L CB 1.064 43.321 42.059 0.331 0.000 1.212 267 L HN 0.723 nan 8.230 nan 0.000 0.420 268 G N 3.380 112.294 108.800 0.190 0.000 2.519 268 G HA2 0.413 4.374 3.960 0.000 0.000 0.307 268 G HA3 0.413 4.374 3.960 0.000 0.000 0.307 268 G C -2.242 172.777 174.900 0.198 0.000 1.266 268 G CA -0.504 44.644 45.100 0.080 0.000 0.970 268 G HN 0.540 nan 8.290 nan 0.000 0.481 269 Y N 2.313 122.629 120.300 0.026 0.000 2.328 269 Y HA 0.689 5.239 4.550 0.000 0.000 0.337 269 Y C -1.185 174.606 175.900 -0.182 0.000 0.966 269 Y CA -1.168 56.963 58.100 0.052 0.000 1.136 269 Y CB 1.092 39.645 38.460 0.156 0.000 1.170 269 Y HN 0.263 nan 8.280 nan 0.000 0.470 270 L N 5.918 126.614 121.223 -0.878 0.000 2.381 270 L HA 0.533 4.873 4.340 0.000 0.000 0.268 270 L C -0.696 175.600 176.870 -0.956 0.000 0.997 270 L CA -1.017 53.327 54.840 -0.828 0.000 0.818 270 L CB 2.020 43.503 42.059 -0.960 0.000 1.310 270 L HN 0.743 nan 8.230 nan 0.000 0.416 271 E N 1.799 121.662 120.200 -0.562 0.000 2.277 271 E HA 0.508 4.858 4.350 0.000 0.000 0.266 271 E C -0.917 175.563 176.600 -0.201 0.000 0.901 271 E CA -0.833 55.361 56.400 -0.345 0.000 0.782 271 E CB 2.612 32.194 29.700 -0.198 0.000 1.228 271 E HN 0.438 nan 8.360 nan 0.000 0.424 272 N N 1.561 120.197 118.700 -0.107 0.000 2.272 272 N HA 0.406 5.146 4.740 0.000 0.000 0.305 272 N C -2.658 172.796 175.510 -0.093 0.000 1.103 272 N CA -1.666 51.339 53.050 -0.076 0.000 0.791 272 N CB 1.679 40.146 38.487 -0.035 0.000 1.356 272 N HN 0.193 nan 8.380 nan 0.000 0.486 273 P HA 0.075 nan 4.420 nan 0.000 0.267 273 P C 0.394 177.632 177.300 -0.102 0.000 1.200 273 P CA -0.073 62.986 63.100 -0.069 0.000 0.772 273 P CB 0.889 32.563 31.700 -0.043 0.000 0.855 274 D N 1.424 121.765 120.400 -0.099 0.000 2.133 274 D HA -0.180 4.460 4.640 0.000 0.000 0.195 274 D C 1.192 177.432 176.300 -0.100 0.000 0.997 274 D CA 1.478 55.404 54.000 -0.124 0.000 0.840 274 D CB -0.123 40.627 40.800 -0.083 0.000 0.947 274 D HN 0.436 nan 8.370 nan 0.000 0.452 275 E N 0.394 120.563 120.200 -0.051 0.000 2.516 275 E HA -0.061 4.289 4.350 0.000 0.000 0.199 275 E C 0.511 177.100 176.600 -0.018 0.000 1.069 275 E CA 0.481 56.872 56.400 -0.016 0.000 0.876 275 E CB 0.051 29.751 29.700 0.001 0.000 0.843 275 E HN 0.348 nan 8.360 nan 0.000 0.530 276 E N -0.775 119.390 120.200 -0.059 0.000 3.105 276 E HA 0.148 4.498 4.350 0.000 0.000 0.198 276 E C 0.594 177.122 176.600 -0.120 0.000 0.976 276 E CA -0.123 56.245 56.400 -0.052 0.000 1.219 276 E CB 0.440 30.120 29.700 -0.033 0.000 1.081 276 E HN 0.111 nan 8.360 nan 0.000 0.464 277 K N -0.266 119.975 120.400 -0.265 0.000 2.097 277 K HA -0.053 4.267 4.320 0.000 0.000 0.205 277 K C 0.151 176.431 176.600 -0.533 0.000 1.050 277 K CA 1.182 57.133 56.287 -0.559 0.000 0.938 277 K CB 0.217 31.980 32.500 -1.228 0.000 0.718 277 K HN 0.059 nan 8.250 nan 0.000 0.442 278 W N -1.140 120.105 121.300 -0.092 0.000 2.666 278 W HA 0.392 5.052 4.660 0.000 0.000 0.334 278 W C 0.609 177.102 176.519 -0.043 0.000 1.051 278 W CA -0.902 56.396 57.345 -0.078 0.000 1.224 278 W CB 1.283 30.628 29.460 -0.192 0.000 1.405 278 W HN -0.153 nan 8.180 nan 0.000 0.513 279 A N 0.998 123.953 122.820 0.224 0.000 2.072 279 A HA -0.006 4.314 4.320 0.000 0.000 0.216 279 A C 0.374 178.032 177.584 0.125 0.000 1.156 279 A CA 1.002 53.103 52.037 0.108 0.000 0.701 279 A CB -0.516 18.503 19.000 0.032 0.000 0.816 279 A HN 0.589 nan 8.150 nan 0.000 0.458 280 D N -1.770 118.737 120.400 0.178 0.000 2.419 280 D HA 0.214 4.854 4.640 0.000 0.000 0.234 280 D C -0.769 175.627 176.300 0.159 0.000 1.014 280 D CA -0.592 53.479 54.000 0.118 0.000 0.919 280 D CB 0.734 41.571 40.800 0.062 0.000 1.366 280 D HN -0.044 nan 8.370 nan 0.000 0.490 281 D N 0.763 121.204 120.400 0.068 0.000 2.219 281 D HA -0.077 4.563 4.640 0.000 0.000 0.205 281 D C 1.729 177.924 176.300 -0.176 0.000 0.970 281 D CA 1.188 55.192 54.000 0.006 0.000 0.851 281 D CB -0.062 40.714 40.800 -0.040 0.000 0.943 281 D HN 0.593 nan 8.370 nan 0.000 0.488 282 A N 0.203 122.938 122.820 -0.143 0.000 2.119 282 A HA -0.133 4.187 4.320 0.000 0.000 0.217 282 A C 0.252 177.627 177.584 -0.349 0.000 1.153 282 A CA 0.705 52.600 52.037 -0.237 0.000 0.692 282 A CB -0.774 18.137 19.000 -0.147 0.000 0.799 282 A HN 0.480 nan 8.150 nan 0.000 0.458 283 H N -1.820 116.960 119.070 -0.483 0.000 2.882 283 H HA -0.117 4.439 4.556 0.000 0.000 0.314 283 H C 0.156 174.734 175.328 -1.250 0.000 1.270 283 H CA 0.342 55.675 56.048 -1.191 0.000 1.165 283 H CB -1.080 27.757 29.762 -1.542 0.000 1.436 283 H HN 0.606 nan 8.280 nan 0.000 0.431 284 Q N -0.363 119.197 119.800 -0.400 0.000 2.280 284 Q HA 0.219 4.560 4.340 0.000 0.000 0.228 284 Q C 0.478 176.546 176.000 0.114 0.000 0.857 284 Q CA 0.391 56.082 55.803 -0.186 0.000 0.939 284 Q CB 1.741 30.418 28.738 -0.103 0.000 1.114 284 Q HN 0.263 nan 8.270 nan 0.000 0.514 285 V N 2.592 122.658 119.914 0.253 0.000 2.407 285 V HA 0.273 4.393 4.120 0.000 0.000 0.291 285 V C 0.313 176.560 176.094 0.255 0.000 1.018 285 V CA -1.244 61.165 62.300 0.182 0.000 0.842 285 V CB 1.638 33.495 31.823 0.056 0.000 0.996 285 V HN 0.087 nan 8.190 nan 0.000 0.426 286 V N 2.330 122.190 119.914 -0.089 0.000 2.673 286 V HA 0.278 4.398 4.120 0.000 0.000 0.303 286 V C 0.567 176.427 176.094 -0.391 0.000 1.046 286 V CA -0.296 61.730 62.300 -0.458 0.000 1.126 286 V CB 0.725 31.831 31.823 -1.195 0.000 0.934 286 V HN 0.904 nan 8.190 nan 0.000 0.487 287 N N 3.959 122.502 118.700 -0.262 0.000 2.438 287 N HA 0.113 4.853 4.740 0.000 0.000 0.267 287 N C 0.424 175.800 175.510 -0.223 0.000 1.222 287 N CA 0.255 53.202 53.050 -0.172 0.000 0.930 287 N CB 0.721 39.161 38.487 -0.078 0.000 1.083 287 N HN 0.826 nan 8.380 nan 0.000 0.476 288 K N 2.853 123.065 120.400 -0.314 0.000 2.374 288 K HA 0.199 4.519 4.320 0.000 0.000 0.196 288 K C 1.548 177.913 176.600 -0.392 0.000 1.023 288 K CA 0.182 56.223 56.287 -0.410 0.000 1.103 288 K CB 0.321 32.386 32.500 -0.726 0.000 0.848 288 K HN 0.579 nan 8.250 nan 0.000 0.528 289 A N 3.142 125.842 122.820 -0.200 0.000 1.915 289 A HA -0.178 4.142 4.320 0.000 0.000 0.220 289 A C -0.414 177.168 177.584 -0.003 0.000 1.198 289 A CA 1.698 53.700 52.037 -0.058 0.000 0.647 289 A CB -1.440 17.558 19.000 -0.004 0.000 0.825 289 A HN 0.183 nan 8.150 nan 0.000 0.456 290 P HA -0.069 nan 4.420 nan 0.000 0.217 290 P C 1.591 178.914 177.300 0.039 0.000 1.151 290 P CA 1.859 64.957 63.100 -0.003 0.000 0.828 290 P CB -0.233 31.425 31.700 -0.069 0.000 0.788 291 A N -0.180 122.693 122.820 0.088 0.000 1.930 291 A HA -0.210 4.110 4.320 0.000 0.000 0.217 291 A C 2.118 179.845 177.584 0.239 0.000 1.175 291 A CA 1.443 53.587 52.037 0.179 0.000 0.627 291 A CB -1.936 17.302 19.000 0.395 0.000 0.815 291 A HN 0.271 nan 8.150 nan 0.000 0.443 292 H N -0.846 118.328 119.070 0.174 0.000 2.387 292 H HA -0.013 4.543 4.556 0.000 0.000 0.299 292 H C 2.514 177.934 175.328 0.154 0.000 1.090 292 H CA 0.660 56.815 56.048 0.178 0.000 1.332 292 H CB 0.052 29.895 29.762 0.135 0.000 1.386 292 H HN 0.574 nan 8.280 nan 0.000 0.516 293 A N 1.098 124.049 122.820 0.218 0.000 1.898 293 A HA -0.147 4.173 4.320 0.000 0.000 0.216 293 A C 2.287 179.902 177.584 0.050 0.000 1.181 293 A CA 1.326 53.428 52.037 0.108 0.000 0.620 293 A CB -0.600 18.437 19.000 0.062 0.000 0.819 293 A HN 0.345 nan 8.150 nan 0.000 0.442 294 L N -0.200 121.069 121.223 0.076 0.000 2.027 294 L HA -0.081 4.259 4.340 0.000 0.000 0.206 294 L C 2.218 179.158 176.870 0.117 0.000 1.074 294 L CA 1.723 56.617 54.840 0.090 0.000 0.745 294 L CB -0.520 41.585 42.059 0.077 0.000 0.898 294 L HN 0.370 nan 8.230 nan 0.000 0.433 295 L N -0.259 121.027 121.223 0.106 0.000 2.083 295 L HA -0.127 4.213 4.340 0.000 0.000 0.209 295 L C 2.566 179.329 176.870 -0.178 0.000 1.083 295 L CA 1.257 56.134 54.840 0.061 0.000 0.752 295 L CB -1.446 40.696 42.059 0.137 0.000 0.899 295 L HN 0.489 nan 8.230 nan 0.000 0.433 296 G N -0.367 108.212 108.800 -0.369 0.000 2.448 296 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 296 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 296 G C 1.743 176.386 174.900 -0.428 0.000 1.127 296 G CA 0.324 44.952 45.100 -0.786 0.000 0.766 296 G HN 0.312 nan 8.290 nan 0.000 0.552 297 R N -1.044 119.270 120.500 -0.309 0.000 2.275 297 R HA 0.140 4.481 4.340 0.000 0.000 0.199 297 R C 0.196 175.941 176.300 -0.924 0.000 0.989 297 R CA 0.303 56.089 56.100 -0.524 0.000 1.016 297 R CB 0.049 30.056 30.300 -0.489 0.000 0.918 297 R HN 0.415 nan 8.270 nan 0.000 0.473 298 F N -1.202 118.666 119.950 -0.138 0.000 2.790 298 F HA 0.347 4.874 4.527 0.000 0.000 0.371 298 F C 1.071 176.795 175.800 -0.127 0.000 1.293 298 F CA -0.528 57.411 58.000 -0.101 0.000 1.205 298 F CB 0.728 39.683 39.000 -0.075 0.000 1.047 298 F HN -0.108 nan 8.300 nan 0.000 0.510 299 A N -0.412 122.336 122.820 -0.120 0.000 2.066 299 A HA 0.079 4.399 4.320 0.000 0.000 0.218 299 A C 1.291 178.841 177.584 -0.057 0.000 1.157 299 A CA 1.497 53.465 52.037 -0.116 0.000 0.670 299 A CB -0.460 18.417 19.000 -0.205 0.000 0.804 299 A HN 0.306 nan 8.150 nan 0.000 0.453 300 T N -5.329 109.199 114.554 -0.044 0.000 2.907 300 T HA 0.485 4.836 4.350 0.000 0.000 0.292 300 T C 0.761 175.466 174.700 0.009 0.000 1.043 300 T CA 0.187 62.271 62.100 -0.026 0.000 1.003 300 T CB 1.582 70.428 68.868 -0.038 0.000 1.084 300 T HN -0.061 nan 8.240 nan 0.000 0.483 301 S N 0.825 116.528 115.700 0.005 0.000 2.392 301 S HA -0.169 4.301 4.470 0.000 0.000 0.232 301 S C 1.775 176.383 174.600 0.014 0.000 1.041 301 S CA 1.999 60.208 58.200 0.016 0.000 1.026 301 S CB -0.505 62.695 63.200 0.000 0.000 0.845 301 S HN 0.864 nan 8.310 nan 0.000 0.465 302 E N 1.216 121.414 120.200 -0.004 0.000 2.106 302 E HA -0.112 4.238 4.350 0.000 0.000 0.192 302 E C 2.199 178.794 176.600 -0.010 0.000 0.984 302 E CA 0.960 57.353 56.400 -0.013 0.000 0.806 302 E CB -0.238 29.447 29.700 -0.024 0.000 0.750 302 E HN 0.559 nan 8.360 nan 0.000 0.458 303 Q N -0.183 119.605 119.800 -0.020 0.000 2.172 303 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 303 Q C 2.098 178.140 176.000 0.071 0.000 0.964 303 Q CA 0.917 56.686 55.803 -0.057 0.000 0.855 303 Q CB 0.148 28.777 28.738 -0.183 0.000 0.918 303 Q HN 0.151 nan 8.270 nan 0.000 0.444 304 V N 1.183 121.198 119.914 0.168 0.000 2.323 304 V HA -0.228 3.893 4.120 0.000 0.000 0.244 304 V C 1.428 177.597 176.094 0.126 0.000 1.041 304 V CA 1.864 64.346 62.300 0.303 0.000 1.025 304 V CB -0.372 31.602 31.823 0.252 0.000 0.656 304 V HN 0.314 nan 8.190 nan 0.000 0.451 305 D N 0.607 121.025 120.400 0.029 0.000 2.117 305 D HA -0.132 4.508 4.640 0.000 0.000 0.197 305 D C 2.190 178.474 176.300 -0.026 0.000 0.987 305 D CA 1.662 55.638 54.000 -0.040 0.000 0.829 305 D CB -0.353 40.424 40.800 -0.039 0.000 0.961 305 D HN 0.437 nan 8.370 nan 0.000 0.460 306 A N 0.937 123.762 122.820 0.009 0.000 1.898 306 A HA 0.000 4.320 4.320 0.000 0.000 0.216 306 A C 2.307 179.920 177.584 0.049 0.000 1.181 306 A CA 2.069 54.113 52.037 0.012 0.000 0.620 306 A CB -0.704 18.295 19.000 -0.003 0.000 0.819 306 A HN 0.229 nan 8.150 nan 0.000 0.442 307 A N -0.740 122.155 122.820 0.125 0.000 1.933 307 A HA -0.026 4.294 4.320 0.000 0.000 0.218 307 A C 2.097 179.784 177.584 0.171 0.000 1.175 307 A CA 1.667 53.847 52.037 0.237 0.000 0.628 307 A CB -0.513 18.800 19.000 0.522 0.000 0.814 307 A HN 0.562 nan 8.150 nan 0.000 0.444 308 L N -0.654 120.547 121.223 -0.037 0.000 2.156 308 L HA -0.054 4.286 4.340 0.000 0.000 0.208 308 L C 2.194 178.995 176.870 -0.116 0.000 1.095 308 L CA 2.200 56.876 54.840 -0.274 0.000 0.770 308 L CB -0.288 41.434 42.059 -0.562 0.000 0.914 308 L HN 0.408 nan 8.230 nan 0.000 0.439 309 E N -0.350 119.818 120.200 -0.054 0.000 2.152 309 E HA -0.067 4.283 4.350 0.000 0.000 0.192 309 E C 2.129 178.757 176.600 0.046 0.000 0.983 309 E CA 1.177 57.570 56.400 -0.012 0.000 0.818 309 E CB -0.177 29.515 29.700 -0.015 0.000 0.758 309 E HN 0.476 nan 8.360 nan 0.000 0.467 310 A N 0.486 123.343 122.820 0.062 0.000 1.930 310 A HA -0.112 4.208 4.320 0.000 0.000 0.217 310 A C 2.150 179.816 177.584 0.136 0.000 1.175 310 A CA 1.364 53.452 52.037 0.086 0.000 0.627 310 A CB -0.718 18.324 19.000 0.070 0.000 0.815 310 A HN 0.363 nan 8.150 nan 0.000 0.443 311 L N 0.931 122.251 121.223 0.162 0.000 2.012 311 L HA -0.205 4.136 4.340 0.000 0.000 0.210 311 L C 2.125 179.224 176.870 0.381 0.000 1.073 311 L CA 2.471 57.473 54.840 0.271 0.000 0.748 311 L CB -0.840 41.415 42.059 0.327 0.000 0.891 311 L HN 0.555 nan 8.230 nan 0.000 0.431 312 N N -1.020 117.833 118.700 0.254 0.000 2.104 312 N HA -0.185 4.555 4.740 0.000 0.000 0.190 312 N C 1.719 177.372 175.510 0.238 0.000 1.024 312 N CA 1.663 54.863 53.050 0.250 0.000 0.853 312 N CB 0.058 38.613 38.487 0.113 0.000 1.008 312 N HN 0.445 nan 8.380 nan 0.000 0.424 313 S N -0.325 115.483 115.700 0.180 0.000 2.383 313 S HA -0.120 4.350 4.470 0.000 0.000 0.227 313 S C 1.666 176.358 174.600 0.153 0.000 1.026 313 S CA 0.616 58.898 58.200 0.137 0.000 0.981 313 S CB -0.460 62.800 63.200 0.100 0.000 0.818 313 S HN 0.533 nan 8.310 nan 0.000 0.472 314 Y N 0.627 120.940 120.300 0.022 0.000 2.181 314 Y HA -0.182 4.369 4.550 0.000 0.000 0.288 314 Y C 1.821 177.625 175.900 -0.160 0.000 1.146 314 Y CA 1.401 59.445 58.100 -0.094 0.000 1.164 314 Y CB -0.440 37.943 38.460 -0.128 0.000 0.982 314 Y HN 0.256 nan 8.280 nan 0.000 0.515 315 W N 0.373 121.749 121.300 0.127 0.000 2.388 315 W HA -0.141 4.519 4.660 0.000 0.000 0.294 315 W C 2.549 179.039 176.519 -0.048 0.000 1.212 315 W CA 1.934 59.275 57.345 -0.006 0.000 1.271 315 W CB -0.627 28.876 29.460 0.073 0.000 1.126 315 W HN -0.072 nan 8.180 nan 0.000 0.535 316 T N -0.062 114.608 114.554 0.192 0.000 2.684 316 T HA -0.303 4.047 4.350 0.000 0.000 0.267 316 T C 1.402 176.121 174.700 0.031 0.000 1.036 316 T CA 1.872 64.034 62.100 0.103 0.000 1.148 316 T CB -0.649 68.271 68.868 0.086 0.000 0.863 316 T HN 0.198 nan 8.240 nan 0.000 0.436 317 N N 0.687 119.371 118.700 -0.027 0.000 2.244 317 N HA 0.022 4.762 4.740 0.000 0.000 0.183 317 N C 1.741 177.160 175.510 -0.151 0.000 1.016 317 N CA 0.782 53.784 53.050 -0.079 0.000 0.866 317 N CB -0.406 38.033 38.487 -0.081 0.000 0.980 317 N HN 0.325 nan 8.380 nan 0.000 0.430 318 L N -0.120 120.940 121.223 -0.273 0.000 2.141 318 L HA -0.049 4.291 4.340 0.000 0.000 0.209 318 L C 1.482 178.293 176.870 -0.099 0.000 1.094 318 L CA 0.732 55.377 54.840 -0.325 0.000 0.763 318 L CB -0.216 41.479 42.059 -0.607 0.000 0.908 318 L HN 0.301 nan 8.230 nan 0.000 0.437 319 L N -0.806 120.433 121.223 0.026 0.000 2.611 319 L HA 0.024 4.364 4.340 0.000 0.000 0.229 319 L C 2.238 179.167 176.870 0.097 0.000 1.137 319 L CA 0.174 55.078 54.840 0.107 0.000 0.901 319 L CB -0.096 42.044 42.059 0.136 0.000 1.098 319 L HN 0.256 nan 8.230 nan 0.000 0.456 320 S N -2.768 112.964 115.700 0.052 0.000 2.501 320 S HA -0.057 4.413 4.470 0.000 0.000 0.220 320 S C 1.741 176.380 174.600 0.066 0.000 0.997 320 S CA 0.576 58.805 58.200 0.049 0.000 0.919 320 S CB -0.116 63.094 63.200 0.018 0.000 0.778 320 S HN 0.260 nan 8.310 nan 0.000 0.523 321 T N 0.305 114.917 114.554 0.096 0.000 2.770 321 T HA 0.068 4.418 4.350 0.000 0.000 0.263 321 T C -0.054 174.762 174.700 0.193 0.000 1.039 321 T CA 0.979 63.163 62.100 0.139 0.000 1.142 321 T CB -0.299 68.671 68.868 0.169 0.000 0.868 321 T HN 0.609 nan 8.240 nan 0.000 0.435 322 Y N 1.270 121.660 120.300 0.149 0.000 2.338 322 Y HA 0.503 5.053 4.550 0.000 0.000 0.333 322 Y C -1.003 174.976 175.900 0.132 0.000 0.968 322 Y CA -0.747 57.429 58.100 0.127 0.000 1.123 322 Y CB 1.494 40.034 38.460 0.133 0.000 1.165 322 Y HN -0.024 nan 8.280 nan 0.000 0.452 323 S N 3.843 119.601 115.700 0.096 0.000 2.579 323 S HA 0.696 5.166 4.470 0.000 0.000 0.272 323 S C -1.807 172.842 174.600 0.082 0.000 1.141 323 S CA -0.809 57.491 58.200 0.167 0.000 0.843 323 S CB 2.043 65.297 63.200 0.090 0.000 1.122 323 S HN 0.520 nan 8.310 nan 0.000 0.468 324 V N 1.353 121.357 119.914 0.150 0.000 2.841 324 V HA 0.853 4.974 4.120 0.000 0.000 0.310 324 V C -1.105 175.053 176.094 0.106 0.000 1.090 324 V CA -0.276 62.100 62.300 0.126 0.000 0.930 324 V CB 2.182 34.095 31.823 0.149 0.000 1.014 324 V HN 0.892 nan 8.190 nan 0.000 0.425 325 S N 4.176 119.940 115.700 0.107 0.000 2.605 325 S HA 0.848 5.318 4.470 0.000 0.000 0.308 325 S C -0.571 174.103 174.600 0.124 0.000 1.113 325 S CA 0.240 58.496 58.200 0.094 0.000 1.049 325 S CB 1.187 64.429 63.200 0.070 0.000 1.001 325 S HN 1.619 nan 8.310 nan 0.000 0.480 326 S N 2.391 118.155 115.700 0.108 0.000 2.720 326 S HA 0.488 4.958 4.470 0.000 0.000 0.287 326 S C 0.926 175.583 174.600 0.095 0.000 1.168 326 S CA 0.047 58.322 58.200 0.125 0.000 0.832 326 S CB 0.676 63.928 63.200 0.087 0.000 1.166 326 S HN 0.815 nan 8.310 nan 0.000 0.493 327 T N -1.671 112.941 114.554 0.097 0.000 3.072 327 T HA 0.122 4.472 4.350 0.000 0.000 0.266 327 T C 0.156 174.913 174.700 0.094 0.000 1.127 327 T CA 0.973 63.124 62.100 0.085 0.000 1.107 327 T CB -0.551 68.367 68.868 0.082 0.000 0.910 327 T HN 0.603 nan 8.240 nan 0.000 0.513 328 D N 1.903 122.369 120.400 0.110 0.000 2.441 328 D HA 0.135 4.775 4.640 0.000 0.000 0.231 328 D C 1.113 177.470 176.300 0.096 0.000 1.073 328 D CA -0.568 53.516 54.000 0.140 0.000 0.850 328 D CB 1.354 42.304 40.800 0.251 0.000 1.062 328 D HN 0.561 nan 8.370 nan 0.000 0.524 329 E N 2.644 122.874 120.200 0.050 0.000 2.274 329 E HA -0.126 4.224 4.350 0.000 0.000 0.194 329 E C 0.873 177.438 176.600 -0.058 0.000 0.996 329 E CA 0.625 57.032 56.400 0.012 0.000 0.840 329 E CB 0.230 29.936 29.700 0.011 0.000 0.772 329 E HN 0.339 nan 8.360 nan 0.000 0.491 330 K N 0.652 120.976 120.400 -0.128 0.000 2.044 330 K HA -0.053 4.267 4.320 0.000 0.000 0.204 330 K C 2.262 178.753 176.600 -0.181 0.000 1.049 330 K CA 0.980 57.053 56.287 -0.357 0.000 0.945 330 K CB -0.216 31.791 32.500 -0.822 0.000 0.724 330 K HN 0.064 nan 8.250 nan 0.000 0.440 331 L N 2.069 123.351 121.223 0.099 0.000 2.012 331 L HA -0.216 4.124 4.340 0.000 0.000 0.210 331 L C 1.350 178.326 176.870 0.177 0.000 1.073 331 L CA 2.023 57.057 54.840 0.324 0.000 0.748 331 L CB -0.417 41.901 42.059 0.431 0.000 0.891 331 L HN 0.068 nan 8.230 nan 0.000 0.431 332 D N -0.241 120.221 120.400 0.104 0.000 2.104 332 D HA -0.236 4.404 4.640 0.000 0.000 0.194 332 D C 2.283 178.636 176.300 0.088 0.000 0.994 332 D CA 1.995 56.050 54.000 0.092 0.000 0.830 332 D CB -0.244 40.597 40.800 0.069 0.000 0.959 332 D HN 0.561 nan 8.370 nan 0.000 0.452 333 R N 0.118 120.636 120.500 0.030 0.000 2.092 333 R HA -0.067 4.273 4.340 0.000 0.000 0.231 333 R C 1.872 178.256 176.300 0.141 0.000 1.119 333 R CA 1.114 57.236 56.100 0.036 0.000 0.970 333 R CB -0.303 29.926 30.300 -0.118 0.000 0.864 333 R HN 0.080 nan 8.270 nan 0.000 0.440 334 M N 1.015 120.688 119.600 0.122 0.000 2.086 334 M HA -0.077 4.404 4.480 0.000 0.000 0.261 334 M C 2.310 178.795 176.300 0.310 0.000 1.067 334 M CA 1.284 56.727 55.300 0.239 0.000 1.116 334 M CB -0.615 32.148 32.600 0.272 0.000 1.348 334 M HN 0.104 nan 8.290 nan 0.000 0.407 335 V N 0.645 120.730 119.914 0.286 0.000 2.488 335 V HA -0.167 3.953 4.120 0.000 0.000 0.246 335 V C 1.970 178.259 176.094 0.324 0.000 1.046 335 V CA 1.287 63.787 62.300 0.334 0.000 1.053 335 V CB -0.713 31.245 31.823 0.225 0.000 0.679 335 V HN 0.415 nan 8.190 nan 0.000 0.458 336 N N -0.662 118.167 118.700 0.216 0.000 2.376 336 N HA 0.163 4.904 4.740 0.000 0.000 0.177 336 N C 1.393 176.938 175.510 0.059 0.000 1.024 336 N CA 1.086 54.233 53.050 0.161 0.000 0.893 336 N CB 0.560 39.115 38.487 0.114 0.000 0.980 336 N HN 0.444 nan 8.380 nan 0.000 0.439 337 I N -2.432 118.121 120.570 -0.029 0.000 3.738 337 I HA 0.081 4.251 4.170 0.000 0.000 0.250 337 I C 1.193 177.136 176.117 -0.291 0.000 1.117 337 I CA -0.261 60.849 61.300 -0.317 0.000 1.624 337 I CB -0.054 37.550 38.000 -0.660 0.000 1.637 337 I HN -0.080 nan 8.210 nan 0.000 0.431 338 W N 1.532 122.884 121.300 0.086 0.000 2.381 338 W HA -0.113 4.547 4.660 0.000 0.000 0.301 338 W C 2.389 179.008 176.519 0.168 0.000 1.205 338 W CA 0.958 58.385 57.345 0.136 0.000 1.285 338 W CB -0.504 29.016 29.460 0.101 0.000 1.133 338 W HN 0.146 nan 8.180 nan 0.000 0.521 339 N N 0.368 119.287 118.700 0.365 0.000 2.331 339 N HA -0.145 4.595 4.740 0.000 0.000 0.180 339 N C 1.538 177.129 175.510 0.134 0.000 1.019 339 N CA 1.345 54.603 53.050 0.348 0.000 0.881 339 N CB -0.189 38.609 38.487 0.518 0.000 0.972 339 N HN 0.343 nan 8.380 nan 0.000 0.435 340 Q N -1.242 118.578 119.800 0.034 0.000 2.062 340 Q HA -0.123 4.217 4.340 0.000 0.000 0.196 340 Q C 1.677 177.792 176.000 0.192 0.000 0.967 340 Q CA 0.885 56.656 55.803 -0.053 0.000 0.832 340 Q CB -0.319 28.390 28.738 -0.047 0.000 0.899 340 Q HN 0.503 nan 8.270 nan 0.000 0.442 341 Y N 1.889 122.208 120.300 0.032 0.000 2.114 341 Y HA -0.364 4.186 4.550 0.000 0.000 0.282 341 Y C 2.636 178.681 175.900 0.242 0.000 1.165 341 Y CA 1.827 59.940 58.100 0.022 0.000 1.148 341 Y CB 0.158 38.489 38.460 -0.215 0.000 0.972 341 Y HN 0.160 nan 8.280 nan 0.000 0.504 342 Q N -0.819 119.134 119.800 0.255 0.000 2.167 342 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 342 Q C 2.249 178.353 176.000 0.173 0.000 0.970 342 Q CA 1.665 57.597 55.803 0.214 0.000 0.855 342 Q CB -0.270 28.573 28.738 0.176 0.000 0.911 342 Q HN 0.607 nan 8.270 nan 0.000 0.438 343 C N 0.106 119.511 119.300 0.175 0.000 2.422 343 C HA -0.124 4.336 4.460 0.000 0.000 0.279 343 C C 2.608 177.764 174.990 0.277 0.000 1.305 343 C CA 0.803 59.935 59.018 0.190 0.000 1.757 343 C CB -0.858 26.968 27.740 0.143 0.000 1.962 343 C HN 0.671 nan 8.230 nan 0.000 0.499 344 M N 0.950 120.746 119.600 0.327 0.000 2.117 344 M HA -0.076 4.404 4.480 0.000 0.000 0.262 344 M C 1.974 178.385 176.300 0.186 0.000 1.065 344 M CA 1.949 57.497 55.300 0.413 0.000 1.114 344 M CB -0.671 32.295 32.600 0.611 0.000 1.361 344 M HN 0.145 nan 8.290 nan 0.000 0.408 345 V N 0.367 120.292 119.914 0.019 0.000 2.343 345 V HA -0.261 3.859 4.120 0.000 0.000 0.247 345 V C 2.520 178.460 176.094 -0.257 0.000 1.051 345 V CA 2.272 64.430 62.300 -0.237 0.000 1.036 345 V CB -1.613 29.947 31.823 -0.438 0.000 0.654 345 V HN 0.778 nan 8.190 nan 0.000 0.451 346 T N -1.923 112.568 114.554 -0.106 0.000 2.857 346 T HA -0.189 4.161 4.350 0.000 0.000 0.266 346 T C 1.819 176.414 174.700 -0.175 0.000 1.048 346 T CA 1.417 63.441 62.100 -0.127 0.000 1.139 346 T CB -0.586 68.263 68.868 -0.031 0.000 0.874 346 T HN 0.365 nan 8.240 nan 0.000 0.455 347 F N 3.349 123.120 119.950 -0.299 0.000 2.095 347 F HA -0.095 4.432 4.527 0.000 0.000 0.298 347 F C 2.099 177.644 175.800 -0.425 0.000 1.104 347 F CA 1.512 59.212 58.000 -0.499 0.000 1.232 347 F CB -0.581 37.739 39.000 -1.135 0.000 0.987 347 F HN 0.057 nan 8.300 nan 0.000 0.475 348 N N -0.078 118.417 118.700 -0.341 0.000 2.142 348 N HA -0.125 4.615 4.740 0.000 0.000 0.186 348 N C 1.683 176.868 175.510 -0.542 0.000 1.023 348 N CA 1.724 54.518 53.050 -0.426 0.000 0.852 348 N CB -0.218 38.102 38.487 -0.279 0.000 0.998 348 N HN 0.355 nan 8.380 nan 0.000 0.424 349 M N -0.471 118.834 119.600 -0.491 0.000 2.414 349 M HA 0.174 4.654 4.480 0.000 0.000 0.251 349 M C 1.120 177.220 176.300 -0.333 0.000 1.116 349 M CA -0.069 54.980 55.300 -0.418 0.000 1.056 349 M CB -0.274 32.085 32.600 -0.401 0.000 1.388 349 M HN -0.070 nan 8.290 nan 0.000 0.487 350 S N 1.428 116.925 115.700 -0.338 0.000 4.112 350 S HA -0.227 4.244 4.470 0.000 0.000 0.602 350 S C 0.761 175.241 174.600 -0.200 0.000 1.939 350 S CA 1.862 59.893 58.200 -0.282 0.000 4.230 350 S CB -0.346 62.655 63.200 -0.331 0.000 0.245 350 S HN 0.582 nan 8.310 nan 0.000 0.530 351 R N 0.925 121.316 120.500 -0.182 0.000 2.748 351 R HA 0.356 4.696 4.340 0.000 0.000 0.395 351 R C 1.144 177.386 176.300 -0.096 0.000 1.128 351 R CA 0.706 56.736 56.100 -0.117 0.000 1.042 351 R CB 0.086 30.321 30.300 -0.109 0.000 1.392 351 R HN 0.548 nan 8.270 nan 0.000 0.582 352 S N -0.395 115.232 115.700 -0.123 0.000 2.412 352 S HA 0.252 4.723 4.470 0.000 0.000 0.223 352 S C 1.034 175.601 174.600 -0.056 0.000 1.048 352 S CA 0.242 58.373 58.200 -0.116 0.000 0.954 352 S CB 0.442 63.531 63.200 -0.185 0.000 0.840 352 S HN 0.220 nan 8.310 nan 0.000 0.503 353 A N 1.700 124.513 122.820 -0.012 0.000 2.410 353 A HA 0.775 5.095 4.320 0.000 0.000 0.289 353 A C 0.009 177.744 177.584 0.253 0.000 1.200 353 A CA -0.389 51.709 52.037 0.101 0.000 0.751 353 A CB 1.047 20.009 19.000 -0.065 0.000 1.161 353 A HN 0.568 nan 8.150 nan 0.000 0.459 354 S N 0.801 116.710 115.700 0.349 0.000 2.998 354 S HA 0.730 5.200 4.470 0.000 0.000 0.321 354 S C -0.299 174.669 174.600 0.613 0.000 1.171 354 S CA -0.353 58.094 58.200 0.412 0.000 0.882 354 S CB 0.286 63.764 63.200 0.463 0.000 1.301 354 S HN 0.375 nan 8.310 nan 0.000 0.629 355 F N 0.487 120.598 119.950 0.268 0.000 2.731 355 F HA 0.494 5.021 4.527 0.000 0.000 0.304 355 F C 0.405 176.210 175.800 0.008 0.000 1.133 355 F CA -0.992 57.103 58.000 0.158 0.000 1.380 355 F CB -0.841 38.176 39.000 0.029 0.000 1.079 355 F HN 0.455 nan 8.300 nan 0.000 0.550 356 F N -1.498 118.762 119.950 0.516 0.000 2.675 356 F HA 0.171 4.698 4.527 0.000 0.000 0.315 356 F C 0.810 176.693 175.800 0.138 0.000 0.888 356 F CA -0.315 57.865 58.000 0.300 0.000 1.100 356 F CB 0.030 39.142 39.000 0.187 0.000 0.908 356 F HN -0.423 nan 8.300 nan 0.000 0.657 357 E N 1.582 121.981 120.200 0.332 0.000 2.259 357 E HA 0.159 4.509 4.350 0.000 0.000 0.281 357 E C 0.668 177.274 176.600 0.009 0.000 1.037 357 E CA 0.345 56.814 56.400 0.115 0.000 0.854 357 E CB 1.107 30.864 29.700 0.096 0.000 1.051 357 E HN 0.228 nan 8.360 nan 0.000 0.409 358 T N -1.064 113.347 114.554 -0.238 0.000 3.144 358 T HA 0.215 4.565 4.350 0.000 0.000 0.249 358 T C 1.204 175.798 174.700 -0.177 0.000 1.089 358 T CA 0.031 61.789 62.100 -0.570 0.000 0.989 358 T CB -0.042 68.381 68.868 -0.743 0.000 0.992 358 T HN 0.658 nan 8.240 nan 0.000 0.540 359 G N 1.380 110.134 108.800 -0.077 0.000 2.305 359 G HA2 -0.214 3.746 3.960 0.000 0.000 0.287 359 G HA3 -0.214 3.746 3.960 0.000 0.000 0.287 359 G C 0.443 175.274 174.900 -0.116 0.000 1.036 359 G CA 0.522 45.566 45.100 -0.094 0.000 0.887 359 G HN 0.507 nan 8.290 nan 0.000 0.505 360 I N -0.904 119.600 120.570 -0.111 0.000 3.632 360 I HA 0.213 4.383 4.170 0.000 0.000 0.246 360 I C 2.638 178.713 176.117 -0.071 0.000 1.125 360 I CA 1.533 62.781 61.300 -0.087 0.000 1.519 360 I CB -1.342 36.606 38.000 -0.087 0.000 1.555 360 I HN 0.161 nan 8.210 nan 0.000 0.452 361 G N 1.889 110.651 108.800 -0.064 0.000 2.453 361 G HA2 -0.041 3.919 3.960 0.000 0.000 0.215 361 G HA3 -0.041 3.919 3.960 0.000 0.000 0.215 361 G C 0.928 175.801 174.900 -0.045 0.000 1.147 361 G CA -0.086 44.990 45.100 -0.040 0.000 0.802 361 G HN 0.221 nan 8.290 nan 0.000 0.535 362 R N 0.562 121.022 120.500 -0.067 0.000 2.254 362 R HA 0.483 4.823 4.340 0.000 0.000 0.318 362 R C 0.736 176.957 176.300 -0.131 0.000 1.031 362 R CA 0.045 56.092 56.100 -0.088 0.000 0.905 362 R CB 1.589 31.836 30.300 -0.088 0.000 1.050 362 R HN 0.195 nan 8.270 nan 0.000 0.456 363 G N 2.006 110.713 108.800 -0.155 0.000 3.434 363 G HA2 0.215 4.175 3.960 0.000 0.000 0.192 363 G HA3 0.215 4.175 3.960 0.000 0.000 0.192 363 G C -0.667 174.035 174.900 -0.331 0.000 1.704 363 G CA -0.438 44.530 45.100 -0.219 0.000 0.936 363 G HN 0.368 nan 8.290 nan 0.000 0.623 364 M N 1.747 121.036 119.600 -0.518 0.000 2.047 364 M HA 0.523 5.003 4.480 0.000 0.000 0.342 364 M C 0.379 176.343 176.300 -0.560 0.000 1.058 364 M CA -0.183 54.694 55.300 -0.706 0.000 0.991 364 M CB 1.249 33.052 32.600 -1.329 0.000 1.474 364 M HN 0.400 nan 8.290 nan 0.000 0.419 365 G N 2.798 111.367 108.800 -0.385 0.000 2.378 365 G HA2 0.137 4.097 3.960 0.000 0.000 0.255 365 G HA3 0.137 4.097 3.960 0.000 0.000 0.255 365 G C 0.355 175.129 174.900 -0.208 0.000 1.270 365 G CA -0.365 44.549 45.100 -0.310 0.000 0.876 365 G HN 0.868 nan 8.290 nan 0.000 0.521 366 F N 2.437 122.249 119.950 -0.229 0.000 2.069 366 F HA -0.142 4.385 4.527 0.000 0.000 0.298 366 F C 2.730 178.509 175.800 -0.035 0.000 1.113 366 F CA 2.139 60.106 58.000 -0.054 0.000 1.214 366 F CB 0.194 39.228 39.000 0.057 0.000 0.978 366 F HN 0.517 nan 8.300 nan 0.000 0.474 367 R N 0.429 121.037 120.500 0.180 0.000 2.090 367 R HA -0.132 4.209 4.340 0.000 0.000 0.228 367 R C 1.669 177.847 176.300 -0.203 0.000 1.110 367 R CA 1.984 58.096 56.100 0.019 0.000 0.973 367 R CB -0.729 29.592 30.300 0.034 0.000 0.869 367 R HN 0.358 nan 8.270 nan 0.000 0.440 368 D N 0.064 120.355 120.400 -0.183 0.000 2.123 368 D HA -0.053 4.587 4.640 0.000 0.000 0.200 368 D C 1.748 177.951 176.300 -0.163 0.000 0.976 368 D CA 1.145 55.047 54.000 -0.164 0.000 0.831 368 D CB 0.023 40.718 40.800 -0.174 0.000 0.974 368 D HN 0.198 nan 8.370 nan 0.000 0.469 369 S N 0.804 116.379 115.700 -0.208 0.000 2.428 369 S HA -0.051 4.419 4.470 0.000 0.000 0.230 369 S C 1.694 176.210 174.600 -0.141 0.000 1.014 369 S CA 0.301 58.370 58.200 -0.219 0.000 0.957 369 S CB 0.000 63.017 63.200 -0.306 0.000 0.784 369 S HN 0.224 nan 8.310 nan 0.000 0.499 370 N N 1.451 120.066 118.700 -0.143 0.000 2.188 370 N HA -0.042 4.698 4.740 0.000 0.000 0.184 370 N C 1.730 177.242 175.510 0.003 0.000 1.018 370 N CA 0.944 53.961 53.050 -0.055 0.000 0.858 370 N CB -0.133 38.361 38.487 0.011 0.000 0.989 370 N HN 0.522 nan 8.380 nan 0.000 0.426 371 Q N 0.149 119.914 119.800 -0.057 0.000 2.212 371 Q HA -0.032 4.308 4.340 0.000 0.000 0.199 371 Q C 0.936 176.883 176.000 -0.088 0.000 0.950 371 Q CA 0.657 56.418 55.803 -0.070 0.000 0.863 371 Q CB 0.203 28.922 28.738 -0.032 0.000 0.944 371 Q HN 0.221 nan 8.270 nan 0.000 0.465 372 D N 0.855 121.234 120.400 -0.034 0.000 2.144 372 D HA -0.139 4.501 4.640 0.000 0.000 0.199 372 D C 1.773 178.147 176.300 0.125 0.000 0.984 372 D CA 0.834 54.848 54.000 0.022 0.000 0.834 372 D CB -0.102 40.689 40.800 -0.014 0.000 0.955 372 D HN 0.206 nan 8.370 nan 0.000 0.465 373 L N 0.287 121.595 121.223 0.142 0.000 2.081 373 L HA -0.199 4.141 4.340 0.000 0.000 0.212 373 L C 2.411 179.388 176.870 0.177 0.000 1.080 373 L CA 0.742 55.713 54.840 0.218 0.000 0.754 373 L CB -0.427 41.735 42.059 0.171 0.000 0.893 373 L HN 0.116 nan 8.230 nan 0.000 0.433 374 L N -0.641 120.619 121.223 0.062 0.000 2.127 374 L HA -0.146 4.194 4.340 0.000 0.000 0.211 374 L C 2.333 179.261 176.870 0.096 0.000 1.089 374 L CA 1.323 56.166 54.840 0.006 0.000 0.757 374 L CB -0.840 41.069 42.059 -0.249 0.000 0.899 374 L HN 0.336 nan 8.230 nan 0.000 0.434 375 G N -2.036 106.846 108.800 0.136 0.000 2.986 375 G HA2 -0.113 3.847 3.960 0.000 0.000 0.213 375 G HA3 -0.113 3.847 3.960 0.000 0.000 0.213 375 G C 1.102 176.167 174.900 0.275 0.000 1.156 375 G CA -0.145 45.106 45.100 0.251 0.000 0.763 375 G HN 0.298 nan 8.290 nan 0.000 0.547 376 F N 0.986 120.963 119.950 0.044 0.000 2.711 376 F HA 0.123 4.650 4.527 0.000 0.000 0.296 376 F C 2.297 177.975 175.800 -0.204 0.000 1.096 376 F CA 0.544 58.461 58.000 -0.137 0.000 1.280 376 F CB 0.247 39.144 39.000 -0.171 0.000 1.060 376 F HN -0.019 nan 8.300 nan 0.000 0.608 377 V N 0.071 119.990 119.914 0.009 0.000 2.453 377 V HA -0.343 3.778 4.120 0.000 0.000 0.252 377 V C 2.629 178.621 176.094 -0.169 0.000 1.068 377 V CA 2.498 64.785 62.300 -0.022 0.000 1.070 377 V CB -1.683 30.212 31.823 0.120 0.000 0.664 377 V HN 0.647 nan 8.190 nan 0.000 0.461 378 H N 0.178 119.144 119.070 -0.174 0.000 2.470 378 H HA 0.097 4.653 4.556 0.000 0.000 0.289 378 H C 1.964 177.133 175.328 -0.266 0.000 1.033 378 H CA 1.451 57.411 56.048 -0.147 0.000 1.331 378 H CB -0.352 29.409 29.762 -0.002 0.000 1.414 378 H HN 0.466 nan 8.280 nan 0.000 0.545 379 L N 0.666 121.121 121.223 -1.279 0.000 1.993 379 L HA 0.054 4.394 4.340 0.000 0.000 0.206 379 L C 0.938 177.354 176.870 -0.757 0.000 1.074 379 L CA 1.211 55.440 54.840 -1.019 0.000 0.746 379 L CB -0.040 41.344 42.059 -1.125 0.000 0.896 379 L HN 0.119 nan 8.230 nan 0.000 0.435 380 I N -0.069 119.934 120.570 -0.945 0.000 2.623 380 I HA 0.163 4.333 4.170 0.000 0.000 0.275 380 I C -1.802 174.121 176.117 -0.324 0.000 1.108 380 I CA -1.298 59.699 61.300 -0.506 0.000 1.120 380 I CB 1.575 39.379 38.000 -0.327 0.000 1.249 380 I HN -0.102 nan 8.210 nan 0.000 0.500 381 P HA -0.143 nan 4.420 nan 0.000 0.219 381 P C 0.955 178.350 177.300 0.158 0.000 1.146 381 P CA 1.411 64.536 63.100 0.041 0.000 0.808 381 P CB 0.458 32.170 31.700 0.020 0.000 0.779 382 E N 0.247 120.487 120.200 0.067 0.000 2.077 382 E HA -0.128 4.223 4.350 0.000 0.000 0.193 382 E C 2.218 178.863 176.600 0.075 0.000 0.989 382 E CA 1.173 57.619 56.400 0.077 0.000 0.800 382 E CB -0.665 29.063 29.700 0.046 0.000 0.746 382 E HN 0.301 nan 8.360 nan 0.000 0.452 383 R N 0.307 120.862 120.500 0.091 0.000 2.115 383 R HA 0.127 4.467 4.340 0.000 0.000 0.226 383 R C 2.279 178.703 176.300 0.207 0.000 1.100 383 R CA 0.901 57.103 56.100 0.169 0.000 0.980 383 R CB -0.270 30.165 30.300 0.226 0.000 0.875 383 R HN 0.151 nan 8.270 nan 0.000 0.445 384 A N 1.470 124.379 122.820 0.148 0.000 1.933 384 A HA -0.197 4.124 4.320 0.000 0.000 0.218 384 A C 2.134 179.692 177.584 -0.043 0.000 1.175 384 A CA 1.267 53.400 52.037 0.160 0.000 0.628 384 A CB -0.450 18.686 19.000 0.227 0.000 0.814 384 A HN 0.207 nan 8.150 nan 0.000 0.444 385 R N -0.427 119.964 120.500 -0.182 0.000 2.080 385 R HA -0.202 4.138 4.340 0.000 0.000 0.236 385 R C 2.281 178.470 176.300 -0.184 0.000 1.137 385 R CA 1.905 57.760 56.100 -0.408 0.000 0.943 385 R CB -0.347 29.803 30.300 -0.250 0.000 0.846 385 R HN 0.731 nan 8.270 nan 0.000 0.431 386 E N -0.149 120.020 120.200 -0.051 0.000 2.085 386 E HA -0.284 4.067 4.350 0.000 0.000 0.194 386 E C 2.044 178.633 176.600 -0.018 0.000 0.994 386 E CA 1.367 57.756 56.400 -0.018 0.000 0.801 386 E CB -0.007 29.715 29.700 0.037 0.000 0.743 386 E HN 0.070 nan 8.360 nan 0.000 0.453 387 R N 0.958 121.489 120.500 0.051 0.000 2.081 387 R HA -0.094 4.247 4.340 0.000 0.000 0.235 387 R C 2.173 178.444 176.300 -0.049 0.000 1.131 387 R CA 1.508 57.631 56.100 0.037 0.000 0.960 387 R CB -0.696 29.711 30.300 0.179 0.000 0.856 387 R HN 0.278 nan 8.270 nan 0.000 0.436 388 I N 0.430 120.949 120.570 -0.086 0.000 2.163 388 I HA -0.302 3.869 4.170 0.000 0.000 0.243 388 I C 1.748 177.771 176.117 -0.156 0.000 1.085 388 I CA 1.063 62.282 61.300 -0.137 0.000 1.347 388 I CB -0.370 37.519 38.000 -0.186 0.000 1.044 388 I HN 0.136 nan 8.210 nan 0.000 0.408 389 I N 0.545 121.022 120.570 -0.155 0.000 2.226 389 I HA -0.258 3.912 4.170 0.000 0.000 0.245 389 I C 2.195 178.207 176.117 -0.174 0.000 1.100 389 I CA 1.602 62.801 61.300 -0.167 0.000 1.374 389 I CB -1.535 36.384 38.000 -0.135 0.000 1.057 389 I HN 0.252 nan 8.210 nan 0.000 0.413 390 D N 1.131 121.435 120.400 -0.161 0.000 2.092 390 D HA -0.152 4.489 4.640 0.000 0.000 0.193 390 D C 2.399 178.544 176.300 -0.258 0.000 0.994 390 D CA 1.242 55.098 54.000 -0.241 0.000 0.828 390 D CB -0.259 40.406 40.800 -0.225 0.000 0.963 390 D HN 0.305 nan 8.370 nan 0.000 0.450 391 I N 1.284 121.778 120.570 -0.126 0.000 2.127 391 I HA -0.287 3.883 4.170 0.000 0.000 0.241 391 I C 2.448 178.541 176.117 -0.041 0.000 1.075 391 I CA 1.386 62.633 61.300 -0.087 0.000 1.334 391 I CB -0.266 37.569 38.000 -0.275 0.000 1.040 391 I HN -0.067 nan 8.210 nan 0.000 0.405 392 A N -0.376 122.379 122.820 -0.108 0.000 2.067 392 A HA -0.145 4.175 4.320 0.000 0.000 0.219 392 A C 2.354 179.900 177.584 -0.063 0.000 1.158 392 A CA 1.750 53.745 52.037 -0.071 0.000 0.661 392 A CB -0.547 18.260 19.000 -0.322 0.000 0.801 392 A HN 0.406 nan 8.150 nan 0.000 0.452 393 S N -0.337 115.296 115.700 -0.111 0.000 2.515 393 S HA -0.062 4.408 4.470 0.000 0.000 0.231 393 S C 1.676 176.282 174.600 0.011 0.000 0.987 393 S CA 1.384 59.534 58.200 -0.084 0.000 0.936 393 S CB -0.297 62.819 63.200 -0.140 0.000 0.766 393 S HN 0.871 nan 8.310 nan 0.000 0.528 394 T N -0.790 113.811 114.554 0.078 0.000 3.186 394 T HA 0.251 4.601 4.350 0.000 0.000 0.257 394 T C 0.192 174.927 174.700 0.059 0.000 1.029 394 T CA -0.362 61.805 62.100 0.110 0.000 0.916 394 T CB -0.030 68.953 68.868 0.191 0.000 1.041 394 T HN 0.253 nan 8.240 nan 0.000 0.562 395 Q N 0.505 120.400 119.800 0.158 0.000 2.299 395 Q HA 0.502 4.842 4.340 0.000 0.000 0.246 395 Q C -1.035 175.000 176.000 0.059 0.000 0.935 395 Q CA -0.801 55.085 55.803 0.138 0.000 0.887 395 Q CB 0.544 29.571 28.738 0.481 0.000 1.223 395 Q HN 0.399 nan 8.270 nan 0.000 0.439 396 F N 0.480 120.534 119.950 0.174 0.000 2.380 396 F HA 0.352 4.880 4.527 0.000 0.000 0.321 396 F C 1.187 176.817 175.800 -0.284 0.000 1.103 396 F CA -0.150 57.863 58.000 0.022 0.000 1.067 396 F CB 0.635 39.565 39.000 -0.117 0.000 1.265 396 F HN 0.766 nan 8.300 nan 0.000 0.517 397 A N 0.449 122.988 122.820 -0.468 0.000 1.972 397 A HA -0.188 4.132 4.320 0.000 0.000 0.219 397 A C 1.641 178.935 177.584 -0.483 0.000 1.169 397 A CA 1.804 53.193 52.037 -1.081 0.000 0.635 397 A CB -1.034 17.561 19.000 -0.675 0.000 0.810 397 A HN 0.805 nan 8.150 nan 0.000 0.446 398 D N -2.308 117.985 120.400 -0.179 0.000 2.363 398 D HA 0.259 4.899 4.640 0.000 0.000 0.226 398 D C 1.218 177.568 176.300 0.084 0.000 1.020 398 D CA 1.065 55.046 54.000 -0.032 0.000 0.892 398 D CB -0.506 40.303 40.800 0.016 0.000 0.900 398 D HN 0.762 nan 8.370 nan 0.000 0.531 399 G N -0.084 108.736 108.800 0.033 0.000 2.217 399 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 399 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 399 G C 0.511 175.340 174.900 -0.118 0.000 0.990 399 G CA 0.442 45.585 45.100 0.071 0.000 0.627 399 G HN 0.868 nan 8.290 nan 0.000 0.522 400 S N 0.099 115.676 115.700 -0.206 0.000 2.624 400 S HA 0.846 5.316 4.470 0.000 0.000 0.263 400 S C 0.271 174.860 174.600 -0.018 0.000 1.287 400 S CA 0.836 58.817 58.200 -0.364 0.000 0.990 400 S CB 2.046 65.047 63.200 -0.332 0.000 0.950 400 S HN 2.074 nan 8.310 nan 0.000 0.561 401 A N 0.235 122.982 122.820 -0.121 0.000 2.515 401 A HA 0.646 4.966 4.320 0.000 0.000 0.296 401 A C -1.480 176.081 177.584 -0.039 0.000 1.094 401 A CA -0.840 51.032 52.037 -0.274 0.000 0.718 401 A CB 0.455 18.823 19.000 -1.053 0.000 1.307 401 A HN 0.753 nan 8.150 nan 0.000 0.408 402 Y N 0.833 121.077 120.300 -0.093 0.000 2.526 402 Y HA 0.121 4.671 4.550 0.000 0.000 0.330 402 Y C 1.675 177.671 175.900 0.160 0.000 1.156 402 Y CA 1.230 59.406 58.100 0.126 0.000 1.419 402 Y CB 0.511 39.018 38.460 0.078 0.000 1.250 402 Y HN 0.970 nan 8.280 nan 0.000 0.540 403 H N 1.680 120.942 119.070 0.320 0.000 2.457 403 H HA -0.034 4.523 4.556 0.000 0.000 0.294 403 H C 0.024 175.461 175.328 0.182 0.000 1.064 403 H CA 1.645 57.810 56.048 0.196 0.000 1.330 403 H CB 0.468 30.334 29.762 0.173 0.000 1.395 403 H HN 0.753 nan 8.280 nan 0.000 0.541 404 Q N -1.580 118.331 119.800 0.184 0.000 2.590 404 Q HA 0.309 4.649 4.340 0.000 0.000 0.295 404 Q C -1.598 174.462 176.000 0.100 0.000 0.973 404 Q CA -1.302 54.519 55.803 0.030 0.000 0.768 404 Q CB 1.762 30.444 28.738 -0.093 0.000 1.479 404 Q HN 0.190 nan 8.270 nan 0.000 0.419 405 Y N -1.353 118.921 120.300 -0.043 0.000 2.602 405 Y HA 0.623 5.173 4.550 0.000 0.000 0.342 405 Y C -1.024 174.813 175.900 -0.104 0.000 1.029 405 Y CA -1.375 56.669 58.100 -0.093 0.000 1.080 405 Y CB 1.668 40.079 38.460 -0.081 0.000 1.284 405 Y HN 0.734 nan 8.280 nan 0.000 0.485 406 Q N 3.758 123.661 119.800 0.172 0.000 2.307 406 Q HA 0.376 4.716 4.340 0.000 0.000 0.259 406 Q C -2.131 173.959 176.000 0.150 0.000 0.998 406 Q CA -2.190 53.655 55.803 0.070 0.000 0.923 406 Q CB 1.356 30.108 28.738 0.024 0.000 1.196 406 Q HN 0.489 nan 8.270 nan 0.000 0.416 407 P HA -0.229 nan 4.420 nan 0.000 0.216 407 P C 0.852 178.180 177.300 0.046 0.000 1.154 407 P CA 0.923 64.046 63.100 0.038 0.000 0.865 407 P CB 0.132 31.787 31.700 -0.076 0.000 0.789 408 L N -0.584 120.644 121.223 0.008 0.000 2.046 408 L HA -0.129 4.211 4.340 0.000 0.000 0.208 408 L C 2.064 178.934 176.870 -0.000 0.000 1.077 408 L CA 2.614 57.449 54.840 -0.009 0.000 0.747 408 L CB -1.368 40.690 42.059 -0.002 0.000 0.896 408 L HN 0.103 nan 8.230 nan 0.000 0.432 409 T N -5.955 108.605 114.554 0.010 0.000 3.022 409 T HA 0.108 4.458 4.350 0.000 0.000 0.250 409 T C 1.027 175.692 174.700 -0.058 0.000 1.060 409 T CA 0.203 62.294 62.100 -0.015 0.000 1.013 409 T CB -0.045 68.815 68.868 -0.013 0.000 0.982 409 T HN 0.289 nan 8.240 nan 0.000 0.508 410 K N 0.634 121.000 120.400 -0.057 0.000 3.130 410 K HA -0.139 4.181 4.320 0.000 0.000 0.282 410 K C -0.551 175.851 176.600 -0.331 0.000 1.145 410 K CA 0.412 56.502 56.287 -0.328 0.000 0.831 410 K CB -0.834 31.431 32.500 -0.392 0.000 1.226 410 K HN 0.304 nan 8.250 nan 0.000 0.478 411 R N 0.496 120.920 120.500 -0.126 0.000 2.346 411 R HA 0.305 4.645 4.340 0.000 0.000 0.311 411 R C 0.748 176.955 176.300 -0.154 0.000 0.983 411 R CA -0.127 55.892 56.100 -0.135 0.000 0.880 411 R CB 1.259 31.500 30.300 -0.097 0.000 1.100 411 R HN 0.241 nan 8.270 nan 0.000 0.453 412 G N 1.856 110.466 108.800 -0.317 0.000 2.491 412 G HA2 0.196 4.156 3.960 0.000 0.000 0.242 412 G HA3 0.196 4.156 3.960 0.000 0.000 0.242 412 G C -0.033 174.208 174.900 -1.099 0.000 1.266 412 G CA -0.314 44.401 45.100 -0.641 0.000 0.844 412 G HN 0.745 nan 8.290 nan 0.000 0.571 413 N N -1.112 117.193 118.700 -0.659 0.000 2.774 413 N HA 0.275 5.015 4.740 0.000 0.000 0.264 413 N C -0.277 175.342 175.510 0.181 0.000 1.415 413 N CA -1.038 51.849 53.050 -0.271 0.000 0.815 413 N CB 1.176 39.607 38.487 -0.094 0.000 1.514 413 N HN 0.196 nan 8.380 nan 0.000 0.523 414 N N -0.496 118.364 118.700 0.268 0.000 2.238 414 N HA 0.079 4.819 4.740 0.000 0.000 0.222 414 N C -0.498 175.134 175.510 0.202 0.000 1.133 414 N CA -0.004 53.227 53.050 0.303 0.000 0.854 414 N CB 0.188 38.846 38.487 0.285 0.000 1.041 414 N HN 0.534 nan 8.380 nan 0.000 0.510 415 D N 0.862 121.349 120.400 0.145 0.000 2.265 415 D HA -0.108 4.533 4.640 0.000 0.000 0.208 415 D C 1.500 177.871 176.300 0.118 0.000 0.977 415 D CA 0.896 54.957 54.000 0.102 0.000 0.871 415 D CB 0.192 41.028 40.800 0.059 0.000 0.925 415 D HN 0.577 nan 8.370 nan 0.000 0.485 416 I N -4.203 116.468 120.570 0.168 0.000 3.707 416 I HA 0.563 4.733 4.170 0.000 0.000 0.330 416 I C 0.562 176.865 176.117 0.310 0.000 1.572 416 I CA -0.435 60.983 61.300 0.197 0.000 1.104 416 I CB 0.669 38.765 38.000 0.161 0.000 1.240 416 I HN -0.070 nan 8.210 nan 0.000 0.475 417 G N 0.488 109.468 108.800 0.301 0.000 2.462 417 G HA2 0.118 4.079 3.960 0.000 0.000 0.685 417 G HA3 0.118 4.079 3.960 0.000 0.000 0.685 417 G C -0.967 174.155 174.900 0.369 0.000 1.295 417 G CA -0.305 45.001 45.100 0.343 0.000 0.941 417 G HN 0.327 nan 8.290 nan 0.000 0.554 418 S N -1.462 114.340 115.700 0.169 0.000 2.579 418 S HA 0.757 5.227 4.470 0.000 0.000 0.272 418 S C 0.769 175.302 174.600 -0.112 0.000 1.141 418 S CA 1.019 59.280 58.200 0.101 0.000 0.843 418 S CB 1.575 64.788 63.200 0.022 0.000 1.122 418 S HN 2.752 nan 8.310 nan 0.000 0.468 419 G N 1.169 109.953 108.800 -0.026 0.000 2.273 419 G HA2 -0.239 3.721 3.960 0.000 0.000 0.280 419 G HA3 -0.239 3.721 3.960 0.000 0.000 0.280 419 G C -0.313 174.483 174.900 -0.172 0.000 1.047 419 G CA -0.007 45.032 45.100 -0.101 0.000 0.869 419 G HN 0.463 nan 8.290 nan 0.000 0.502 420 F N 0.313 120.222 119.950 -0.068 0.000 2.438 420 F HA 0.325 4.853 4.527 0.000 0.000 0.360 420 F C 1.386 177.221 175.800 0.057 0.000 1.118 420 F CA -0.823 57.170 58.000 -0.011 0.000 1.164 420 F CB 0.854 39.820 39.000 -0.058 0.000 1.131 420 F HN -0.047 nan 8.300 nan 0.000 0.527 421 N N 1.859 120.693 118.700 0.224 0.000 2.494 421 N HA -0.140 4.600 4.740 0.000 0.000 0.182 421 N C 1.593 177.249 175.510 0.243 0.000 1.076 421 N CA 0.728 53.908 53.050 0.217 0.000 0.908 421 N CB -0.229 38.424 38.487 0.277 0.000 0.967 421 N HN 0.624 nan 8.380 nan 0.000 0.449 422 D N -0.139 120.471 120.400 0.351 0.000 2.277 422 D HA -0.111 4.529 4.640 0.000 0.000 0.208 422 D C 0.749 177.278 176.300 0.383 0.000 0.962 422 D CA 0.518 54.749 54.000 0.385 0.000 0.865 422 D CB -0.158 41.050 40.800 0.681 0.000 0.939 422 D HN -0.027 nan 8.370 nan 0.000 0.510 423 D N 1.787 122.455 120.400 0.446 0.000 2.106 423 D HA -0.130 4.510 4.640 0.000 0.000 0.191 423 D C -0.627 175.902 176.300 0.382 0.000 0.997 423 D CA 1.398 55.700 54.000 0.503 0.000 0.834 423 D CB -1.375 39.560 40.800 0.226 0.000 0.956 423 D HN 0.297 nan 8.370 nan 0.000 0.448 424 P HA -0.070 nan 4.420 nan 0.000 0.216 424 P C 1.651 179.086 177.300 0.225 0.000 1.150 424 P CA 0.819 63.994 63.100 0.125 0.000 0.837 424 P CB -0.084 31.585 31.700 -0.051 0.000 0.786 425 L N -3.296 117.991 121.223 0.105 0.000 2.291 425 L HA -0.053 4.287 4.340 0.000 0.000 0.214 425 L C 2.218 179.038 176.870 -0.082 0.000 1.120 425 L CA 0.991 55.840 54.840 0.014 0.000 0.799 425 L CB -1.001 41.045 42.059 -0.022 0.000 0.925 425 L HN 0.019 nan 8.230 nan 0.000 0.446 426 W N -0.162 121.263 121.300 0.208 0.000 2.350 426 W HA -0.220 4.440 4.660 0.000 0.000 0.289 426 W C 2.326 178.876 176.519 0.052 0.000 1.215 426 W CA -0.031 57.385 57.345 0.119 0.000 1.236 426 W CB -0.266 29.353 29.460 0.265 0.000 1.130 426 W HN 0.100 nan 8.180 nan 0.000 0.541 427 L N 0.632 122.073 121.223 0.365 0.000 2.042 427 L HA -0.206 4.134 4.340 0.000 0.000 0.210 427 L C 2.045 179.006 176.870 0.150 0.000 1.076 427 L CA 1.837 56.808 54.840 0.219 0.000 0.749 427 L CB -0.905 41.349 42.059 0.324 0.000 0.893 427 L HN 0.028 nan 8.230 nan 0.000 0.432 428 I N -0.850 119.801 120.570 0.135 0.000 2.226 428 I HA -0.322 3.848 4.170 0.000 0.000 0.245 428 I C 2.599 178.749 176.117 0.054 0.000 1.100 428 I CA 1.140 62.525 61.300 0.141 0.000 1.374 428 I CB -0.797 37.321 38.000 0.198 0.000 1.057 428 I HN 0.340 nan 8.210 nan 0.000 0.413 429 A N 1.270 123.957 122.820 -0.220 0.000 1.873 429 A HA -0.203 4.117 4.320 0.000 0.000 0.218 429 A C 2.465 180.096 177.584 0.079 0.000 1.193 429 A CA 2.284 54.165 52.037 -0.260 0.000 0.629 429 A CB -1.582 17.193 19.000 -0.375 0.000 0.826 429 A HN 0.473 nan 8.150 nan 0.000 0.447 430 G N -1.021 107.841 108.800 0.104 0.000 2.418 430 G HA2 -0.076 3.884 3.960 0.000 0.000 0.217 430 G HA3 -0.076 3.884 3.960 0.000 0.000 0.217 430 G C 1.506 176.493 174.900 0.145 0.000 1.158 430 G CA 1.247 46.418 45.100 0.118 0.000 0.771 430 G HN 0.347 nan 8.290 nan 0.000 0.545 431 V N 1.370 121.371 119.914 0.145 0.000 2.379 431 V HA -0.047 4.073 4.120 0.000 0.000 0.245 431 V C 3.305 179.526 176.094 0.213 0.000 1.044 431 V CA 1.840 64.249 62.300 0.181 0.000 1.036 431 V CB -0.710 31.217 31.823 0.173 0.000 0.664 431 V HN 0.466 nan 8.190 nan 0.000 0.453 432 A N 0.247 123.195 122.820 0.214 0.000 1.883 432 A HA -0.186 4.134 4.320 0.000 0.000 0.217 432 A C 2.401 180.049 177.584 0.106 0.000 1.186 432 A CA 2.340 54.518 52.037 0.234 0.000 0.624 432 A CB -0.870 18.322 19.000 0.320 0.000 0.822 432 A HN 0.580 nan 8.150 nan 0.000 0.444 433 A N -1.949 120.946 122.820 0.125 0.000 1.969 433 A HA -0.061 4.259 4.320 0.000 0.000 0.218 433 A C 2.108 179.726 177.584 0.056 0.000 1.169 433 A CA 1.533 53.614 52.037 0.073 0.000 0.635 433 A CB -0.718 18.349 19.000 0.113 0.000 0.810 433 A HN 0.781 nan 8.150 nan 0.000 0.445 434 Y N 0.293 120.592 120.300 -0.002 0.000 2.242 434 Y HA -0.106 4.444 4.550 0.000 0.000 0.291 434 Y C 1.871 177.713 175.900 -0.096 0.000 1.137 434 Y CA 1.795 59.877 58.100 -0.029 0.000 1.181 434 Y CB -0.098 38.358 38.460 -0.006 0.000 0.989 434 Y HN 0.260 nan 8.280 nan 0.000 0.527 435 I N -0.056 120.403 120.570 -0.185 0.000 2.406 435 I HA -0.217 3.954 4.170 0.000 0.000 0.249 435 I C 2.163 178.028 176.117 -0.420 0.000 1.122 435 I CA 1.024 62.075 61.300 -0.415 0.000 1.431 435 I CB -0.344 37.397 38.000 -0.432 0.000 1.087 435 I HN 0.118 nan 8.210 nan 0.000 0.424 436 K N 0.660 120.853 120.400 -0.346 0.000 2.063 436 K HA -0.263 4.058 4.320 0.000 0.000 0.208 436 K C 2.038 178.498 176.600 -0.234 0.000 1.048 436 K CA 1.784 57.856 56.287 -0.359 0.000 0.928 436 K CB -0.123 32.124 32.500 -0.422 0.000 0.713 436 K HN 0.156 nan 8.250 nan 0.000 0.442 437 E N 0.767 120.816 120.200 -0.250 0.000 2.047 437 E HA -0.128 4.222 4.350 0.000 0.000 0.191 437 E C 1.776 178.190 176.600 -0.310 0.000 0.987 437 E CA 2.024 58.293 56.400 -0.218 0.000 0.799 437 E CB 0.056 29.657 29.700 -0.166 0.000 0.752 437 E HN 0.250 nan 8.360 nan 0.000 0.449 438 S N -1.898 113.523 115.700 -0.465 0.000 2.497 438 S HA 0.273 4.743 4.470 0.000 0.000 0.218 438 S C 1.739 176.126 174.600 -0.356 0.000 1.023 438 S CA 0.333 58.261 58.200 -0.452 0.000 0.913 438 S CB 0.293 63.057 63.200 -0.726 0.000 0.800 438 S HN 0.571 nan 8.310 nan 0.000 0.505 439 G N 1.953 110.527 108.800 -0.377 0.000 2.155 439 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 439 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 439 G C -0.094 174.676 174.900 -0.216 0.000 0.983 439 G CA 0.327 45.279 45.100 -0.246 0.000 0.676 439 G HN 0.625 nan 8.290 nan 0.000 0.528 440 D N -0.140 120.085 120.400 -0.293 0.000 2.600 440 D HA 0.256 4.896 4.640 0.000 0.000 0.226 440 D C 1.269 177.572 176.300 0.005 0.000 1.119 440 D CA -0.766 53.203 54.000 -0.051 0.000 1.051 440 D CB -0.598 40.243 40.800 0.068 0.000 1.106 440 D HN 0.484 nan 8.370 nan 0.000 0.491 441 W N 1.656 123.009 121.300 0.089 0.000 2.421 441 W HA 0.025 4.685 4.660 0.000 0.000 0.270 441 W C 2.396 178.971 176.519 0.093 0.000 1.233 441 W CA 0.625 58.024 57.345 0.091 0.000 1.226 441 W CB 0.048 29.534 29.460 0.043 0.000 1.121 441 W HN 0.449 nan 8.180 nan 0.000 0.579 442 G N -0.072 108.888 108.800 0.268 0.000 2.744 442 G HA2 -0.155 3.805 3.960 0.000 0.000 0.211 442 G HA3 -0.155 3.805 3.960 0.000 0.000 0.211 442 G C 1.351 176.348 174.900 0.161 0.000 1.143 442 G CA 0.217 45.431 45.100 0.190 0.000 0.788 442 G HN 0.328 nan 8.290 nan 0.000 0.534 443 I N 0.197 120.875 120.570 0.180 0.000 2.394 443 I HA -0.033 4.138 4.170 0.000 0.000 0.251 443 I C 2.317 178.515 176.117 0.135 0.000 1.136 443 I CA 0.638 62.017 61.300 0.131 0.000 1.425 443 I CB 0.130 38.202 38.000 0.120 0.000 1.079 443 I HN 0.128 nan 8.210 nan 0.000 0.425 444 L N 0.316 121.657 121.223 0.197 0.000 2.265 444 L HA -0.204 4.136 4.340 0.000 0.000 0.215 444 L C 1.365 178.363 176.870 0.214 0.000 1.117 444 L CA 1.000 55.988 54.840 0.247 0.000 0.782 444 L CB -0.596 41.645 42.059 0.304 0.000 0.914 444 L HN 0.263 nan 8.230 nan 0.000 0.441 445 D N -0.663 119.832 120.400 0.158 0.000 2.339 445 D HA -0.014 4.626 4.640 0.000 0.000 0.217 445 D C 0.628 176.987 176.300 0.099 0.000 1.050 445 D CA 0.184 54.261 54.000 0.127 0.000 0.856 445 D CB 0.109 40.968 40.800 0.099 0.000 0.922 445 D HN 0.169 nan 8.370 nan 0.000 0.518 446 E N 2.200 122.450 120.200 0.083 0.000 2.417 446 E HA 0.070 4.421 4.350 0.000 0.000 0.261 446 E C -2.485 174.135 176.600 0.033 0.000 1.000 446 E CA -1.627 54.798 56.400 0.042 0.000 0.919 446 E CB 0.726 30.430 29.700 0.008 0.000 0.955 446 E HN -0.088 nan 8.360 nan 0.000 0.455 447 P HA 0.049 nan 4.420 nan 0.000 0.271 447 P C -1.205 176.083 177.300 -0.019 0.000 1.233 447 P CA -0.023 63.093 63.100 0.026 0.000 0.764 447 P CB 0.762 32.479 31.700 0.028 0.000 0.825 448 V N 6.493 126.389 119.914 -0.029 0.000 2.623 448 V HA 0.391 4.511 4.120 0.000 0.000 0.304 448 V C -2.147 173.911 176.094 -0.061 0.000 1.054 448 V CA -2.164 60.059 62.300 -0.129 0.000 0.882 448 V CB 2.300 33.859 31.823 -0.440 0.000 1.002 448 V HN 0.450 nan 8.190 nan 0.000 0.424 449 P HA 0.330 nan 4.420 nan 0.000 0.274 449 P C -1.044 176.189 177.300 -0.112 0.000 1.256 449 P CA -0.240 62.833 63.100 -0.045 0.000 0.795 449 P CB 0.689 32.392 31.700 0.005 0.000 1.038 450 F N -0.503 119.539 119.950 0.154 0.000 2.421 450 F HA 0.183 4.710 4.527 0.000 0.000 0.337 450 F C 1.239 177.084 175.800 0.076 0.000 1.105 450 F CA 0.198 58.272 58.000 0.124 0.000 1.049 450 F CB 0.029 39.075 39.000 0.078 0.000 1.139 450 F HN 0.346 nan 8.300 nan 0.000 0.479 451 D N 3.092 123.610 120.400 0.196 0.000 2.706 451 D HA -0.309 4.332 4.640 0.000 0.000 0.230 451 D C 0.318 176.688 176.300 0.116 0.000 1.184 451 D CA 1.029 55.099 54.000 0.117 0.000 0.628 451 D CB -1.008 39.898 40.800 0.177 0.000 1.019 451 D HN 0.740 nan 8.370 nan 0.000 0.415 452 N N -0.862 117.878 118.700 0.067 0.000 2.678 452 N HA -0.248 4.492 4.740 0.000 0.000 0.249 452 N C -0.674 174.873 175.510 0.062 0.000 1.119 452 N CA 1.087 54.157 53.050 0.033 0.000 0.718 452 N CB -0.513 37.973 38.487 -0.003 0.000 1.060 452 N HN 0.562 nan 8.380 nan 0.000 0.552 453 E N 1.046 121.308 120.200 0.104 0.000 2.265 453 E HA 0.177 4.527 4.350 0.000 0.000 0.272 453 E C -2.124 174.527 176.600 0.084 0.000 1.067 453 E CA -1.496 54.968 56.400 0.108 0.000 0.900 453 E CB 0.547 30.338 29.700 0.151 0.000 1.017 453 E HN 0.168 nan 8.360 nan 0.000 0.431 454 P HA 0.014 nan 4.420 nan 0.000 0.264 454 P C 0.730 178.069 177.300 0.065 0.000 1.193 454 P CA 0.649 63.781 63.100 0.054 0.000 0.763 454 P CB 0.607 32.333 31.700 0.044 0.000 0.810 455 G N 2.609 111.447 108.800 0.063 0.000 2.217 455 G HA2 -0.304 3.656 3.960 0.000 0.000 0.246 455 G HA3 -0.304 3.656 3.960 0.000 0.000 0.246 455 G C 1.062 176.018 174.900 0.093 0.000 0.990 455 G CA 0.454 45.596 45.100 0.070 0.000 0.627 455 G HN 0.620 nan 8.290 nan 0.000 0.522 456 S N 0.190 115.961 115.700 0.117 0.000 2.603 456 S HA 0.342 4.812 4.470 0.000 0.000 0.220 456 S C 0.562 175.261 174.600 0.166 0.000 0.967 456 S CA 0.811 59.119 58.200 0.180 0.000 0.920 456 S CB 0.217 63.569 63.200 0.253 0.000 0.773 456 S HN 0.565 nan 8.310 nan 0.000 0.529 457 E N 1.933 122.188 120.200 0.092 0.000 2.415 457 E HA 0.346 4.697 4.350 0.000 0.000 0.263 457 E C 0.068 176.715 176.600 0.080 0.000 0.995 457 E CA 0.047 56.479 56.400 0.053 0.000 0.915 457 E CB 0.917 30.641 29.700 0.041 0.000 0.951 457 E HN 0.422 nan 8.360 nan 0.000 0.449 458 V N 0.297 120.248 119.914 0.063 0.000 3.141 458 V HA 0.707 4.827 4.120 0.000 0.000 0.312 458 V C -2.657 173.523 176.094 0.143 0.000 1.157 458 V CA -3.151 59.218 62.300 0.115 0.000 1.041 458 V CB 1.862 33.774 31.823 0.148 0.000 1.071 458 V HN 0.396 nan 8.190 nan 0.000 0.441 459 P HA 0.207 nan 4.420 nan 0.000 0.271 459 P C 0.748 178.202 177.300 0.257 0.000 1.218 459 P CA -0.217 62.999 63.100 0.192 0.000 0.780 459 P CB 0.671 32.503 31.700 0.219 0.000 0.901 460 L N 3.437 124.773 121.223 0.188 0.000 2.089 460 L HA -0.210 4.130 4.340 0.000 0.000 0.213 460 L C 1.985 179.030 176.870 0.291 0.000 1.079 460 L CA 1.882 56.820 54.840 0.163 0.000 0.758 460 L CB -1.412 40.691 42.059 0.073 0.000 0.891 460 L HN 0.347 nan 8.230 nan 0.000 0.433 461 F N 0.299 120.369 119.950 0.199 0.000 2.161 461 F HA -0.256 4.271 4.527 0.000 0.000 0.300 461 F C 2.418 178.389 175.800 0.286 0.000 1.089 461 F CA 1.812 59.949 58.000 0.229 0.000 1.282 461 F CB -0.114 38.992 39.000 0.176 0.000 1.010 461 F HN 0.269 nan 8.300 nan 0.000 0.485 462 E N -0.171 120.166 120.200 0.228 0.000 2.085 462 E HA -0.250 4.100 4.350 0.000 0.000 0.194 462 E C 2.204 178.887 176.600 0.138 0.000 0.994 462 E CA 1.938 58.431 56.400 0.155 0.000 0.801 462 E CB -0.606 29.231 29.700 0.228 0.000 0.743 462 E HN 0.555 nan 8.360 nan 0.000 0.453 463 H N 0.070 119.218 119.070 0.130 0.000 2.319 463 H HA -0.145 4.411 4.556 0.000 0.000 0.297 463 H C 2.203 177.614 175.328 0.139 0.000 1.097 463 H CA 1.791 57.946 56.048 0.179 0.000 1.285 463 H CB -0.179 29.635 29.762 0.086 0.000 1.368 463 H HN 0.246 nan 8.280 nan 0.000 0.495 464 L N 0.372 121.701 121.223 0.176 0.000 2.131 464 L HA -0.157 4.183 4.340 0.000 0.000 0.210 464 L C 2.915 179.757 176.870 -0.047 0.000 1.092 464 L CA 1.728 56.627 54.840 0.098 0.000 0.759 464 L CB -0.752 41.383 42.059 0.127 0.000 0.903 464 L HN 0.364 nan 8.230 nan 0.000 0.435 465 T N -2.231 112.267 114.554 -0.094 0.000 2.942 465 T HA -0.074 4.276 4.350 0.000 0.000 0.265 465 T C 2.119 176.843 174.700 0.040 0.000 1.062 465 T CA 0.261 62.305 62.100 -0.094 0.000 1.139 465 T CB -0.026 68.876 68.868 0.057 0.000 0.883 465 T HN 0.126 nan 8.240 nan 0.000 0.468 466 R N 1.427 121.982 120.500 0.091 0.000 2.083 466 R HA 0.025 4.365 4.340 0.000 0.000 0.237 466 R C 2.903 179.289 176.300 0.144 0.000 1.137 466 R CA 1.540 57.711 56.100 0.119 0.000 0.951 466 R CB -1.419 28.964 30.300 0.138 0.000 0.851 466 R HN 0.454 nan 8.270 nan 0.000 0.434 467 S N 0.888 116.677 115.700 0.149 0.000 2.359 467 S HA -0.139 4.331 4.470 0.000 0.000 0.224 467 S C 1.645 176.338 174.600 0.155 0.000 1.035 467 S CA 1.336 59.631 58.200 0.159 0.000 1.018 467 S CB -0.368 62.938 63.200 0.176 0.000 0.876 467 S HN 0.342 nan 8.310 nan 0.000 0.448 468 F N 2.326 122.200 119.950 -0.125 0.000 2.102 468 F HA -0.135 4.392 4.527 0.000 0.000 0.298 468 F C 2.556 178.345 175.800 -0.019 0.000 1.105 468 F CA 1.387 59.279 58.000 -0.180 0.000 1.239 468 F CB -0.249 38.264 39.000 -0.812 0.000 0.991 468 F HN 0.083 nan 8.300 nan 0.000 0.474 469 Q N -0.258 119.578 119.800 0.060 0.000 2.167 469 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 469 Q C 2.162 178.103 176.000 -0.098 0.000 0.970 469 Q CA 1.482 57.268 55.803 -0.029 0.000 0.855 469 Q CB -0.933 27.855 28.738 0.082 0.000 0.911 469 Q HN 0.580 nan 8.270 nan 0.000 0.438 470 F N 1.622 121.499 119.950 -0.122 0.000 2.095 470 F HA -0.238 4.289 4.527 0.000 0.000 0.298 470 F C 2.110 177.786 175.800 -0.207 0.000 1.104 470 F CA 1.833 59.756 58.000 -0.129 0.000 1.232 470 F CB -0.246 38.714 39.000 -0.067 0.000 0.987 470 F HN 0.003 nan 8.300 nan 0.000 0.475 471 T N 0.196 114.710 114.554 -0.067 0.000 2.746 471 T HA -0.198 4.152 4.350 0.000 0.000 0.267 471 T C 2.246 176.557 174.700 -0.648 0.000 1.039 471 T CA 1.678 63.580 62.100 -0.329 0.000 1.142 471 T CB -0.865 67.832 68.868 -0.286 0.000 0.866 471 T HN 0.352 nan 8.240 nan 0.000 0.444 472 V N 0.848 120.336 119.914 -0.711 0.000 2.490 472 V HA -0.135 3.986 4.120 0.000 0.000 0.250 472 V C 1.688 177.420 176.094 -0.602 0.000 1.061 472 V CA 1.681 63.489 62.300 -0.820 0.000 1.064 472 V CB -0.622 30.587 31.823 -1.025 0.000 0.670 472 V HN 0.497 nan 8.190 nan 0.000 0.461 473 Q N 0.291 119.788 119.800 -0.504 0.000 2.280 473 Q HA 0.270 4.610 4.340 0.000 0.000 0.201 473 Q C -0.035 175.689 176.000 -0.460 0.000 0.890 473 Q CA -0.005 55.551 55.803 -0.412 0.000 0.947 473 Q CB 0.220 28.758 28.738 -0.333 0.000 1.081 473 Q HN 0.655 nan 8.270 nan 0.000 0.502 474 N N 0.968 119.342 118.700 -0.543 0.000 2.679 474 N HA 0.208 4.948 4.740 0.000 0.000 0.302 474 N C -0.997 174.288 175.510 -0.375 0.000 1.941 474 N CA -0.017 52.723 53.050 -0.516 0.000 0.875 474 N CB 0.857 38.856 38.487 -0.813 0.000 1.278 474 N HN 0.049 nan 8.380 nan 0.000 0.490 475 R N -0.729 119.575 120.500 -0.328 0.000 2.758 475 R HA 0.684 5.024 4.340 0.000 0.000 0.265 475 R C 0.839 177.018 176.300 -0.202 0.000 1.016 475 R CA -0.667 55.279 56.100 -0.258 0.000 1.040 475 R CB 1.337 31.475 30.300 -0.269 0.000 1.152 475 R HN 0.111 nan 8.270 nan 0.000 0.503 476 G N 0.393 109.097 108.800 -0.160 0.000 2.857 476 G HA2 0.267 4.227 3.960 0.000 0.000 0.217 476 G HA3 0.267 4.227 3.960 0.000 0.000 0.217 476 G C -1.924 172.862 174.900 -0.191 0.000 1.357 476 G CA -0.943 44.059 45.100 -0.163 0.000 1.033 476 G HN 0.330 nan 8.290 nan 0.000 0.571 477 P HA 0.037 nan 4.420 nan 0.000 0.221 477 P C 0.709 177.721 177.300 -0.480 0.000 1.150 477 P CA 1.083 63.956 63.100 -0.379 0.000 0.800 477 P CB 0.079 31.480 31.700 -0.498 0.000 0.787 478 H N -2.142 116.713 119.070 -0.359 0.000 2.539 478 H HA 0.336 4.892 4.556 0.000 0.000 0.269 478 H C 1.434 176.654 175.328 -0.180 0.000 0.980 478 H CA 0.674 56.433 56.048 -0.482 0.000 1.152 478 H CB -0.376 29.060 29.762 -0.544 0.000 1.407 478 H HN 0.073 nan 8.280 nan 0.000 0.564 479 G N 0.404 109.176 108.800 -0.047 0.000 2.159 479 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 479 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 479 G C 0.016 174.907 174.900 -0.016 0.000 0.977 479 G CA 0.149 45.244 45.100 -0.009 0.000 0.652 479 G HN 0.260 nan 8.290 nan 0.000 0.531 480 L N 0.626 121.850 121.223 0.001 0.000 2.360 480 L HA 0.549 4.889 4.340 0.000 0.000 0.271 480 L C -2.031 174.785 176.870 -0.091 0.000 1.057 480 L CA -2.606 52.227 54.840 -0.011 0.000 0.803 480 L CB 1.262 43.372 42.059 0.086 0.000 1.207 480 L HN -0.175 nan 8.230 nan 0.000 0.445 481 P HA 0.116 nan 4.420 nan 0.000 0.271 481 P C -0.589 176.662 177.300 -0.081 0.000 1.216 481 P CA -0.209 62.789 63.100 -0.169 0.000 0.771 481 P CB 0.369 31.961 31.700 -0.180 0.000 0.864 482 L N 3.788 124.947 121.223 -0.106 0.000 2.514 482 L HA 0.040 4.380 4.340 0.000 0.000 0.280 482 L C 2.006 178.882 176.870 0.009 0.000 1.223 482 L CA 0.261 55.064 54.840 -0.061 0.000 0.864 482 L CB 0.111 42.108 42.059 -0.103 0.000 1.118 482 L HN 0.469 nan 8.230 nan 0.000 0.494 483 I N 0.987 121.573 120.570 0.028 0.000 2.584 483 I HA 0.043 4.213 4.170 0.000 0.000 0.255 483 I C 1.466 177.620 176.117 0.060 0.000 1.145 483 I CA 1.232 62.572 61.300 0.066 0.000 1.462 483 I CB -0.008 38.026 38.000 0.056 0.000 1.102 483 I HN 0.934 nan 8.210 nan 0.000 0.433 484 G N 1.069 109.883 108.800 0.023 0.000 2.547 484 G HA2 -0.482 3.478 3.960 0.000 0.000 0.271 484 G HA3 -0.482 3.478 3.960 0.000 0.000 0.271 484 G C 0.810 175.662 174.900 -0.080 0.000 1.209 484 G CA 0.667 45.758 45.100 -0.015 0.000 0.959 484 G HN 0.534 nan 8.290 nan 0.000 0.563 485 R N 0.520 120.889 120.500 -0.218 0.000 2.083 485 R HA 0.392 4.732 4.340 0.000 0.000 0.237 485 R C 1.243 177.372 176.300 -0.286 0.000 1.137 485 R CA 3.334 59.209 56.100 -0.375 0.000 0.951 485 R CB -0.569 29.235 30.300 -0.827 0.000 0.851 485 R HN 2.317 nan 8.270 nan 0.000 0.434 486 A N -0.715 121.978 122.820 -0.212 0.000 2.544 486 A HA 0.413 4.733 4.320 0.000 0.000 0.291 486 A C -1.527 176.211 177.584 0.258 0.000 1.055 486 A CA -0.428 51.654 52.037 0.075 0.000 0.651 486 A CB 0.612 19.730 19.000 0.197 0.000 1.296 486 A HN 0.403 nan 8.150 nan 0.000 0.431 487 D N -0.627 119.944 120.400 0.285 0.000 2.466 487 D HA 0.358 4.998 4.640 0.000 0.000 0.271 487 D C 1.027 177.573 176.300 0.410 0.000 1.193 487 D CA 0.198 54.435 54.000 0.395 0.000 1.103 487 D CB -0.402 40.648 40.800 0.417 0.000 1.184 487 D HN 0.555 nan 8.370 nan 0.000 0.593 488 F N -0.059 119.982 119.950 0.151 0.000 2.333 488 F HA 0.004 4.531 4.527 0.000 0.000 0.300 488 F C 0.625 176.418 175.800 -0.012 0.000 1.083 488 F CA 0.431 58.463 58.000 0.053 0.000 1.395 488 F CB -0.006 38.838 39.000 -0.259 0.000 1.056 488 F HN 0.082 nan 8.300 nan 0.000 0.529 489 N N 1.694 120.398 118.700 0.006 0.000 2.437 489 N HA -0.023 4.718 4.740 0.000 0.000 0.243 489 N C 0.181 175.698 175.510 0.012 0.000 1.041 489 N CA 0.054 53.052 53.050 -0.087 0.000 0.940 489 N CB 0.415 38.950 38.487 0.080 0.000 1.133 489 N HN 0.189 nan 8.380 nan 0.000 0.506 490 D N 2.156 122.537 120.400 -0.030 0.000 2.351 490 D HA -0.055 4.585 4.640 0.000 0.000 0.216 490 D C 0.953 177.325 176.300 0.119 0.000 0.968 490 D CA 0.745 54.825 54.000 0.132 0.000 0.899 490 D CB 0.198 41.056 40.800 0.096 0.000 0.907 490 D HN 0.516 nan 8.370 nan 0.000 0.514 491 C N 0.027 119.348 119.300 0.036 0.000 2.791 491 C HA 0.234 4.694 4.460 0.000 0.000 0.270 491 C C 0.888 175.877 174.990 -0.001 0.000 1.257 491 C CA -0.661 58.362 59.018 0.008 0.000 1.699 491 C CB -0.618 27.131 27.740 0.015 0.000 1.904 491 C HN 0.135 nan 8.230 nan 0.000 0.603 492 L N 3.218 124.472 121.223 0.052 0.000 2.358 492 L HA 0.327 4.667 4.340 0.000 0.000 0.274 492 L C -0.667 176.195 176.870 -0.014 0.000 1.136 492 L CA 0.464 55.320 54.840 0.027 0.000 0.970 492 L CB -1.015 41.062 42.059 0.031 0.000 1.314 492 L HN 0.238 nan 8.230 nan 0.000 0.427 493 N N 4.808 123.474 118.700 -0.057 0.000 2.707 493 N HA 0.264 5.004 4.740 0.000 0.000 0.235 493 N C 0.501 175.955 175.510 -0.094 0.000 1.028 493 N CA -0.311 52.709 53.050 -0.049 0.000 0.906 493 N CB 0.969 39.456 38.487 0.001 0.000 1.131 493 N HN 0.503 nan 8.380 nan 0.000 0.509 494 L N 0.366 121.548 121.223 -0.068 0.000 2.591 494 L HA 0.150 4.490 4.340 0.000 0.000 0.228 494 L C 0.618 177.503 176.870 0.026 0.000 1.133 494 L CA 0.413 55.208 54.840 -0.075 0.000 0.880 494 L CB 0.006 42.056 42.059 -0.015 0.000 1.033 494 L HN 0.491 nan 8.230 nan 0.000 0.450 495 N N -1.450 117.284 118.700 0.057 0.000 2.389 495 N HA 0.091 4.831 4.740 0.000 0.000 0.260 495 N C 0.661 176.250 175.510 0.133 0.000 1.191 495 N CA 0.065 53.224 53.050 0.182 0.000 0.885 495 N CB 0.856 39.432 38.487 0.149 0.000 1.162 495 N HN 0.194 nan 8.380 nan 0.000 0.512 496 C N -0.743 118.586 119.300 0.049 0.000 2.508 496 C HA 0.294 4.755 4.460 0.000 0.000 0.303 496 C C 0.318 175.405 174.990 0.161 0.000 1.496 496 C CA 0.104 59.165 59.018 0.072 0.000 2.041 496 C CB -0.882 26.910 27.740 0.087 0.000 2.011 496 C HN 0.485 nan 8.230 nan 0.000 0.655 497 F N 2.291 122.237 119.950 -0.006 0.000 2.829 497 F HA -0.134 4.393 4.527 0.000 0.000 0.237 497 F C 0.559 176.374 175.800 0.026 0.000 1.017 497 F CA 0.817 58.803 58.000 -0.023 0.000 0.882 497 F CB -1.782 37.154 39.000 -0.108 0.000 0.795 497 F HN 0.291 nan 8.300 nan 0.000 0.848 498 S N 0.259 116.073 115.700 0.189 0.000 2.452 498 S HA 0.499 4.969 4.470 0.000 0.000 0.284 498 S C 1.030 175.739 174.600 0.182 0.000 1.171 498 S CA 0.124 58.397 58.200 0.121 0.000 1.064 498 S CB 0.891 64.063 63.200 -0.046 0.000 0.967 498 S HN 0.419 nan 8.310 nan 0.000 0.484 499 T N 0.955 115.577 114.554 0.113 0.000 3.054 499 T HA 0.240 4.590 4.350 0.000 0.000 0.255 499 T C 0.352 175.075 174.700 0.039 0.000 1.035 499 T CA -0.234 61.940 62.100 0.123 0.000 0.941 499 T CB 0.036 68.963 68.868 0.099 0.000 1.026 499 T HN 0.488 nan 8.240 nan 0.000 0.533 500 T N 5.227 119.769 114.554 -0.019 0.000 2.756 500 T HA 0.506 4.857 4.350 0.000 0.000 0.290 500 T C -2.367 172.266 174.700 -0.112 0.000 0.985 500 T CA -1.127 60.940 62.100 -0.055 0.000 0.955 500 T CB 1.478 70.314 68.868 -0.055 0.000 0.930 500 T HN 0.236 nan 8.240 nan 0.000 0.451 501 P HA 0.322 nan 4.420 nan 0.000 0.272 501 P C 0.909 178.140 177.300 -0.115 0.000 1.240 501 P CA 0.001 63.031 63.100 -0.117 0.000 0.791 501 P CB 0.428 32.079 31.700 -0.081 0.000 0.978 502 G N -0.170 108.559 108.800 -0.119 0.000 2.184 502 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 502 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 502 G C 0.031 174.871 174.900 -0.100 0.000 0.975 502 G CA 0.578 45.623 45.100 -0.091 0.000 0.642 502 G HN 0.817 nan 8.290 nan 0.000 0.536 503 E N 0.807 120.916 120.200 -0.151 0.000 2.155 503 E HA 0.592 4.942 4.350 0.000 0.000 0.264 503 E C 0.465 176.936 176.600 -0.215 0.000 0.886 503 E CA -0.005 56.306 56.400 -0.148 0.000 0.752 503 E CB 1.023 30.641 29.700 -0.136 0.000 1.133 503 E HN 0.407 nan 8.360 nan 0.000 0.414 504 S N 4.350 119.981 115.700 -0.116 0.000 2.593 504 S HA -0.077 4.393 4.470 0.000 0.000 0.300 504 S C 0.725 175.271 174.600 -0.091 0.000 1.267 504 S CA -0.015 58.151 58.200 -0.057 0.000 1.065 504 S CB 0.026 63.243 63.200 0.028 0.000 0.807 504 S HN 0.615 nan 8.310 nan 0.000 0.499 505 F N 2.773 122.724 119.950 0.001 0.000 2.161 505 F HA -0.141 4.386 4.527 0.000 0.000 0.300 505 F C 2.635 178.451 175.800 0.026 0.000 1.089 505 F CA 1.370 59.375 58.000 0.007 0.000 1.282 505 F CB -0.255 38.749 39.000 0.007 0.000 1.010 505 F HN 0.548 nan 8.300 nan 0.000 0.485 506 Q N -0.965 118.988 119.800 0.256 0.000 2.248 506 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 506 Q C 2.071 178.168 176.000 0.162 0.000 0.984 506 Q CA 1.864 57.810 55.803 0.237 0.000 0.875 506 Q CB -0.923 27.960 28.738 0.243 0.000 0.910 506 Q HN 0.324 nan 8.270 nan 0.000 0.433 507 T N -0.769 113.843 114.554 0.097 0.000 2.975 507 T HA 0.052 4.402 4.350 0.000 0.000 0.261 507 T C 0.394 175.104 174.700 0.018 0.000 0.984 507 T CA 0.084 62.224 62.100 0.066 0.000 0.911 507 T CB 0.465 69.373 68.868 0.067 0.000 1.127 507 T HN 0.146 nan 8.240 nan 0.000 0.514 508 T N 2.597 117.146 114.554 -0.009 0.000 2.899 508 T HA 0.227 4.577 4.350 0.000 0.000 0.295 508 T C -0.005 174.680 174.700 -0.025 0.000 1.033 508 T CA -0.561 61.514 62.100 -0.041 0.000 1.084 508 T CB 0.710 69.514 68.868 -0.108 0.000 0.979 508 T HN 0.532 nan 8.240 nan 0.000 0.532 509 E N 3.516 123.701 120.200 -0.024 0.000 2.384 509 E HA 0.095 4.445 4.350 0.000 0.000 0.266 509 E C -0.321 176.274 176.600 -0.008 0.000 1.012 509 E CA -0.488 55.902 56.400 -0.017 0.000 0.901 509 E CB 0.407 30.098 29.700 -0.015 0.000 0.967 509 E HN 0.404 nan 8.360 nan 0.000 0.435 510 N N 2.300 120.994 118.700 -0.009 0.000 2.477 510 N HA 0.150 4.890 4.740 0.000 0.000 0.284 510 N C -0.923 174.601 175.510 0.024 0.000 1.182 510 N CA -0.605 52.451 53.050 0.010 0.000 0.949 510 N CB 1.245 39.724 38.487 -0.012 0.000 1.204 510 N HN 0.492 nan 8.380 nan 0.000 0.526 511 Q N 0.403 120.239 119.800 0.060 0.000 2.243 511 Q HA 0.524 4.864 4.340 0.000 0.000 0.252 511 Q C -0.440 175.631 176.000 0.119 0.000 0.909 511 Q CA -0.608 55.233 55.803 0.064 0.000 0.922 511 Q CB 1.339 30.083 28.738 0.010 0.000 1.215 511 Q HN 0.618 nan 8.270 nan 0.000 0.427 512 A N 1.374 124.245 122.820 0.084 0.000 2.351 512 A HA 0.666 4.986 4.320 0.000 0.000 0.257 512 A C 0.775 178.434 177.584 0.126 0.000 1.087 512 A CA 0.768 52.846 52.037 0.068 0.000 0.798 512 A CB 0.036 19.046 19.000 0.018 0.000 1.033 512 A HN 0.926 nan 8.150 nan 0.000 0.488 513 G N -0.252 108.547 108.800 -0.002 0.000 2.568 513 G HA2 0.507 4.467 3.960 0.000 0.000 0.222 513 G HA3 0.507 4.467 3.960 0.000 0.000 0.222 513 G C 1.171 175.769 174.900 -0.502 0.000 1.321 513 G CA 0.395 45.412 45.100 -0.137 0.000 0.893 513 G HN 3.097 nan 8.290 nan 0.000 0.569 514 G N -2.976 105.250 108.800 -0.957 0.000 2.877 514 G HA2 0.327 4.287 3.960 0.000 0.000 0.279 514 G HA3 0.327 4.287 3.960 0.000 0.000 0.279 514 G C 0.787 175.275 174.900 -0.686 0.000 1.431 514 G CA 1.651 45.810 45.100 -1.569 0.000 0.883 514 G HN 2.494 nan 8.290 nan 0.000 0.547 515 V N -3.705 115.899 119.914 -0.516 0.000 2.925 515 V HA 0.779 4.899 4.120 0.000 0.000 0.361 515 V C 0.966 176.982 176.094 -0.129 0.000 1.361 515 V CA 0.816 62.960 62.300 -0.259 0.000 1.184 515 V CB 0.202 31.900 31.823 -0.207 0.000 1.245 515 V HN 2.438 nan 8.190 nan 0.000 0.575 516 A N 0.827 123.577 122.820 -0.115 0.000 2.454 516 A HA 0.640 4.960 4.320 0.000 0.000 0.260 516 A C 0.219 177.814 177.584 0.018 0.000 1.106 516 A CA 0.207 52.246 52.037 0.003 0.000 0.780 516 A CB 0.016 19.033 19.000 0.028 0.000 1.044 516 A HN 0.747 nan 8.150 nan 0.000 0.498 517 E N 1.058 121.309 120.200 0.084 0.000 2.312 517 E HA 0.510 4.860 4.350 0.000 0.000 0.267 517 E C -0.972 175.683 176.600 0.092 0.000 0.894 517 E CA -0.659 55.794 56.400 0.088 0.000 0.773 517 E CB 2.091 31.882 29.700 0.152 0.000 1.241 517 E HN 0.524 nan 8.360 nan 0.000 0.432 518 S N 1.217 116.961 115.700 0.073 0.000 2.449 518 S HA 0.208 4.678 4.470 0.000 0.000 0.310 518 S C 0.640 175.286 174.600 0.077 0.000 1.096 518 S CA -0.646 57.603 58.200 0.080 0.000 1.095 518 S CB 1.180 64.458 63.200 0.131 0.000 1.007 518 S HN 0.351 nan 8.310 nan 0.000 0.474 519 V N 6.011 125.970 119.914 0.075 0.000 2.548 519 V HA -0.022 4.098 4.120 0.000 0.000 0.249 519 V C 1.789 177.912 176.094 0.049 0.000 1.055 519 V CA 1.722 64.067 62.300 0.076 0.000 1.065 519 V CB -1.069 30.813 31.823 0.097 0.000 0.681 519 V HN 0.934 nan 8.190 nan 0.000 0.462 520 F N 1.139 121.086 119.950 -0.005 0.000 2.102 520 F HA -0.165 4.362 4.527 0.000 0.000 0.298 520 F C 2.098 177.846 175.800 -0.087 0.000 1.105 520 F CA 1.835 59.805 58.000 -0.049 0.000 1.239 520 F CB -0.176 38.820 39.000 -0.006 0.000 0.991 520 F HN 0.063 nan 8.300 nan 0.000 0.474 521 I N 0.642 121.088 120.570 -0.207 0.000 2.361 521 I HA -0.270 3.901 4.170 0.000 0.000 0.251 521 I C 2.720 178.701 176.117 -0.226 0.000 1.133 521 I CA 0.914 62.042 61.300 -0.286 0.000 1.413 521 I CB -1.142 36.855 38.000 -0.004 0.000 1.073 521 I HN 0.310 nan 8.210 nan 0.000 0.424 522 A N 1.285 124.026 122.820 -0.132 0.000 1.865 522 A HA -0.221 4.100 4.320 0.000 0.000 0.217 522 A C 2.584 180.132 177.584 -0.060 0.000 1.191 522 A CA 2.172 54.181 52.037 -0.047 0.000 0.623 522 A CB -0.919 18.079 19.000 -0.003 0.000 0.826 522 A HN 0.428 nan 8.150 nan 0.000 0.444 523 A N -1.081 121.633 122.820 -0.177 0.000 2.015 523 A HA -0.183 4.137 4.320 0.000 0.000 0.219 523 A C 2.187 179.684 177.584 -0.144 0.000 1.163 523 A CA 1.752 53.690 52.037 -0.165 0.000 0.646 523 A CB -0.507 18.398 19.000 -0.158 0.000 0.806 523 A HN 0.716 nan 8.150 nan 0.000 0.448 524 Q N -1.594 117.970 119.800 -0.393 0.000 2.123 524 Q HA -0.146 4.194 4.340 0.000 0.000 0.199 524 Q C 1.875 177.814 176.000 -0.103 0.000 0.966 524 Q CA 1.483 57.075 55.803 -0.350 0.000 0.845 524 Q CB -0.239 27.951 28.738 -0.914 0.000 0.907 524 Q HN 0.672 nan 8.270 nan 0.000 0.439 525 F N 0.524 120.356 119.950 -0.197 0.000 2.102 525 F HA -0.218 4.309 4.527 0.000 0.000 0.298 525 F C 1.989 177.773 175.800 -0.025 0.000 1.105 525 F CA 1.406 59.356 58.000 -0.083 0.000 1.239 525 F CB -0.173 38.757 39.000 -0.117 0.000 0.991 525 F HN -0.102 nan 8.300 nan 0.000 0.474 526 V N 0.749 120.648 119.914 -0.026 0.000 2.282 526 V HA -0.331 3.789 4.120 0.000 0.000 0.249 526 V C 2.297 178.276 176.094 -0.192 0.000 1.057 526 V CA 2.044 64.277 62.300 -0.111 0.000 1.032 526 V CB -0.930 30.867 31.823 -0.043 0.000 0.645 526 V HN 0.471 nan 8.190 nan 0.000 0.447 527 L N -0.749 120.306 121.223 -0.279 0.000 1.988 527 L HA -0.143 4.197 4.340 0.000 0.000 0.207 527 L C 2.264 178.952 176.870 -0.304 0.000 1.071 527 L CA 2.079 56.672 54.840 -0.413 0.000 0.744 527 L CB -0.575 41.031 42.059 -0.756 0.000 0.893 527 L HN 0.388 nan 8.230 nan 0.000 0.433 528 Y N -1.029 119.262 120.300 -0.014 0.000 2.475 528 Y HA 0.115 4.665 4.550 0.000 0.000 0.289 528 Y C 2.381 178.327 175.900 0.078 0.000 1.121 528 Y CA 0.283 58.418 58.100 0.059 0.000 1.257 528 Y CB -0.664 37.836 38.460 0.067 0.000 1.026 528 Y HN 0.275 nan 8.280 nan 0.000 0.555 529 G N 0.659 109.477 108.800 0.029 0.000 2.476 529 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 529 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 529 G C 1.892 176.880 174.900 0.147 0.000 1.164 529 G CA 1.199 46.321 45.100 0.037 0.000 0.768 529 G HN 0.453 nan 8.290 nan 0.000 0.560 530 A N 0.439 123.291 122.820 0.053 0.000 1.902 530 A HA -0.011 4.309 4.320 0.000 0.000 0.217 530 A C 2.259 179.923 177.584 0.134 0.000 1.181 530 A CA 1.958 54.038 52.037 0.072 0.000 0.623 530 A CB -0.332 18.684 19.000 0.027 0.000 0.818 530 A HN 0.301 nan 8.150 nan 0.000 0.443 531 E N -1.026 119.297 120.200 0.205 0.000 2.085 531 E HA -0.222 4.128 4.350 0.000 0.000 0.194 531 E C 1.815 178.580 176.600 0.275 0.000 0.994 531 E CA 1.604 58.181 56.400 0.294 0.000 0.801 531 E CB -0.600 29.345 29.700 0.408 0.000 0.743 531 E HN 0.810 nan 8.360 nan 0.000 0.453 532 Y N 1.463 121.853 120.300 0.150 0.000 2.128 532 Y HA -0.253 4.297 4.550 0.000 0.000 0.284 532 Y C 2.307 178.223 175.900 0.027 0.000 1.154 532 Y CA 1.887 60.035 58.100 0.080 0.000 1.149 532 Y CB -0.519 37.922 38.460 -0.031 0.000 0.976 532 Y HN 0.015 nan 8.280 nan 0.000 0.505 533 A N -0.586 122.181 122.820 -0.090 0.000 1.948 533 A HA -0.231 4.090 4.320 0.000 0.000 0.220 533 A C 2.219 179.719 177.584 -0.140 0.000 1.177 533 A CA 2.450 54.386 52.037 -0.169 0.000 0.636 533 A CB -1.376 17.605 19.000 -0.033 0.000 0.815 533 A HN 0.555 nan 8.150 nan 0.000 0.449 534 T N 0.451 114.968 114.554 -0.060 0.000 2.777 534 T HA -0.043 4.307 4.350 0.000 0.000 0.266 534 T C 1.780 176.404 174.700 -0.127 0.000 1.040 534 T CA 1.358 63.403 62.100 -0.092 0.000 1.141 534 T CB -0.375 68.454 68.868 -0.065 0.000 0.868 534 T HN 0.390 nan 8.240 nan 0.000 0.444 535 L N 0.772 121.971 121.223 -0.040 0.000 2.131 535 L HA -0.090 4.250 4.340 0.000 0.000 0.210 535 L C 2.984 179.810 176.870 -0.075 0.000 1.092 535 L CA 1.144 56.038 54.840 0.089 0.000 0.759 535 L CB -0.664 41.562 42.059 0.279 0.000 0.903 535 L HN 0.259 nan 8.230 nan 0.000 0.435 536 A N -0.103 122.608 122.820 -0.182 0.000 1.898 536 A HA -0.153 4.167 4.320 0.000 0.000 0.214 536 A C 2.145 179.580 177.584 -0.249 0.000 1.183 536 A CA 1.084 52.957 52.037 -0.274 0.000 0.622 536 A CB -0.282 18.563 19.000 -0.258 0.000 0.824 536 A HN 0.397 nan 8.150 nan 0.000 0.444 537 E N -0.403 119.678 120.200 -0.198 0.000 2.038 537 E HA -0.225 4.125 4.350 0.000 0.000 0.195 537 E C 2.221 178.681 176.600 -0.234 0.000 1.000 537 E CA 1.183 57.475 56.400 -0.179 0.000 0.803 537 E CB -0.198 29.416 29.700 -0.143 0.000 0.750 537 E HN 0.211 nan 8.360 nan 0.000 0.448 538 R N 0.719 121.044 120.500 -0.291 0.000 2.139 538 R HA -0.098 4.242 4.340 0.000 0.000 0.243 538 R C 1.960 178.014 176.300 -0.411 0.000 1.145 538 R CA 1.167 56.999 56.100 -0.446 0.000 0.976 538 R CB -0.509 29.329 30.300 -0.771 0.000 0.866 538 R HN 0.165 nan 8.270 nan 0.000 0.449 539 R N -0.965 119.321 120.500 -0.356 0.000 2.313 539 R HA 0.086 4.427 4.340 0.000 0.000 0.199 539 R C 0.849 176.992 176.300 -0.261 0.000 0.958 539 R CA 0.634 56.530 56.100 -0.341 0.000 1.047 539 R CB 0.280 30.279 30.300 -0.502 0.000 0.955 539 R HN 0.427 nan 8.270 nan 0.000 0.481 540 G N 0.283 108.948 108.800 -0.225 0.000 2.157 540 G HA2 -0.200 3.760 3.960 0.000 0.000 0.239 540 G HA3 -0.200 3.760 3.960 0.000 0.000 0.239 540 G C -0.103 174.721 174.900 -0.128 0.000 0.982 540 G CA -0.499 44.506 45.100 -0.158 0.000 0.650 540 G HN 0.085 nan 8.290 nan 0.000 0.527 541 L N 1.691 122.824 121.223 -0.151 0.000 2.437 541 L HA 0.623 4.963 4.340 0.000 0.000 0.243 541 L C 2.041 178.871 176.870 -0.066 0.000 1.346 541 L CA 0.513 55.297 54.840 -0.093 0.000 1.233 541 L CB -0.531 41.471 42.059 -0.096 0.000 1.436 541 L HN 0.394 nan 8.230 nan 0.000 0.416 542 A N 1.231 124.018 122.820 -0.056 0.000 1.930 542 A HA -0.192 4.128 4.320 0.000 0.000 0.217 542 A C 1.816 179.388 177.584 -0.020 0.000 1.175 542 A CA 1.493 53.503 52.037 -0.045 0.000 0.627 542 A CB -0.211 18.764 19.000 -0.043 0.000 0.815 542 A HN 0.631 nan 8.150 nan 0.000 0.443 543 D N 0.143 120.541 120.400 -0.003 0.000 2.087 543 D HA -0.157 4.483 4.640 0.000 0.000 0.192 543 D C 1.595 177.918 176.300 0.038 0.000 0.993 543 D CA 1.594 55.605 54.000 0.019 0.000 0.828 543 D CB -0.983 39.835 40.800 0.031 0.000 0.968 543 D HN 0.161 nan 8.370 nan 0.000 0.448 544 V N 0.931 120.878 119.914 0.056 0.000 2.332 544 V HA -0.246 3.875 4.120 0.000 0.000 0.248 544 V C 2.677 178.795 176.094 0.040 0.000 1.055 544 V CA 2.020 64.375 62.300 0.092 0.000 1.038 544 V CB -1.082 30.817 31.823 0.128 0.000 0.651 544 V HN 0.439 nan 8.190 nan 0.000 0.450 545 A N -0.781 122.024 122.820 -0.024 0.000 1.933 545 A HA -0.222 4.099 4.320 0.000 0.000 0.218 545 A C 2.388 179.966 177.584 -0.011 0.000 1.175 545 A CA 2.514 54.517 52.037 -0.056 0.000 0.628 545 A CB -0.790 18.160 19.000 -0.083 0.000 0.814 545 A HN 0.507 nan 8.150 nan 0.000 0.444 546 T N -0.845 113.708 114.554 -0.003 0.000 2.809 546 T HA -0.080 4.270 4.350 0.000 0.000 0.260 546 T C 1.898 176.595 174.700 -0.006 0.000 1.039 546 T CA 1.300 63.397 62.100 -0.004 0.000 1.141 546 T CB -0.167 68.694 68.868 -0.011 0.000 0.869 546 T HN 0.752 nan 8.240 nan 0.000 0.437 547 E N 1.334 121.532 120.200 -0.003 0.000 2.049 547 E HA -0.200 4.150 4.350 0.000 0.000 0.198 547 E C 2.363 178.967 176.600 0.007 0.000 1.007 547 E CA 1.374 57.736 56.400 -0.064 0.000 0.809 547 E CB -0.317 29.398 29.700 0.025 0.000 0.749 547 E HN 0.420 nan 8.360 nan 0.000 0.450 548 A N 1.543 124.487 122.820 0.207 0.000 1.892 548 A HA -0.237 4.083 4.320 0.000 0.000 0.218 548 A C 2.266 180.062 177.584 0.354 0.000 1.188 548 A CA 1.936 54.224 52.037 0.418 0.000 0.631 548 A CB -0.677 18.357 19.000 0.057 0.000 0.822 548 A HN 0.280 nan 8.150 nan 0.000 0.447 549 R N -0.354 120.237 120.500 0.152 0.000 2.120 549 R HA -0.148 4.192 4.340 0.000 0.000 0.234 549 R C 2.288 178.655 176.300 0.110 0.000 1.123 549 R CA 1.521 57.690 56.100 0.114 0.000 0.975 549 R CB -0.365 29.967 30.300 0.053 0.000 0.866 549 R HN 0.766 nan 8.270 nan 0.000 0.446 550 K N 0.795 121.224 120.400 0.048 0.000 2.002 550 K HA -0.183 4.138 4.320 0.000 0.000 0.209 550 K C 1.812 178.465 176.600 0.088 0.000 1.048 550 K CA 1.573 57.851 56.287 -0.015 0.000 0.930 550 K CB -0.444 31.967 32.500 -0.148 0.000 0.714 550 K HN 0.167 nan 8.250 nan 0.000 0.438 551 Y N 0.757 121.201 120.300 0.242 0.000 2.114 551 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 551 Y C 2.440 178.564 175.900 0.373 0.000 1.165 551 Y CA 0.905 59.188 58.100 0.304 0.000 1.148 551 Y CB -0.319 38.393 38.460 0.421 0.000 0.972 551 Y HN -0.090 nan 8.280 nan 0.000 0.504 552 V N 0.456 120.646 119.914 0.461 0.000 2.252 552 V HA -0.362 3.758 4.120 0.000 0.000 0.249 552 V C 1.897 178.123 176.094 0.219 0.000 1.056 552 V CA 2.213 64.661 62.300 0.246 0.000 1.022 552 V CB -0.577 31.293 31.823 0.077 0.000 0.641 552 V HN 0.479 nan 8.190 nan 0.000 0.445 553 D N -0.611 119.889 120.400 0.168 0.000 2.133 553 D HA -0.202 4.438 4.640 0.000 0.000 0.195 553 D C 2.195 178.577 176.300 0.137 0.000 0.997 553 D CA 1.571 55.644 54.000 0.121 0.000 0.840 553 D CB -0.103 40.746 40.800 0.083 0.000 0.947 553 D HN 0.597 nan 8.370 nan 0.000 0.452 554 E N 0.158 120.465 120.200 0.180 0.000 2.038 554 E HA -0.138 4.212 4.350 0.000 0.000 0.195 554 E C 2.372 179.066 176.600 0.158 0.000 1.000 554 E CA 0.769 57.267 56.400 0.163 0.000 0.803 554 E CB 0.082 29.903 29.700 0.202 0.000 0.750 554 E HN 0.056 nan 8.360 nan 0.000 0.448 555 V N 1.241 121.279 119.914 0.206 0.000 2.287 555 V HA -0.308 3.812 4.120 0.000 0.000 0.248 555 V C 2.456 178.640 176.094 0.150 0.000 1.053 555 V CA 2.162 64.570 62.300 0.179 0.000 1.027 555 V CB -0.611 31.385 31.823 0.289 0.000 0.646 555 V HN 0.257 nan 8.190 nan 0.000 0.447 556 R N 0.380 120.964 120.500 0.140 0.000 2.096 556 R HA -0.221 4.119 4.340 0.000 0.000 0.240 556 R C 2.290 178.642 176.300 0.086 0.000 1.139 556 R CA 1.924 58.079 56.100 0.092 0.000 0.952 556 R CB -0.497 29.843 30.300 0.066 0.000 0.854 556 R HN 0.485 nan 8.270 nan 0.000 0.436 557 A N 0.852 123.721 122.820 0.082 0.000 1.877 557 A HA -0.118 4.202 4.320 0.000 0.000 0.216 557 A C 2.440 180.064 177.584 0.067 0.000 1.186 557 A CA 1.793 53.865 52.037 0.059 0.000 0.620 557 A CB -0.981 18.052 19.000 0.055 0.000 0.822 557 A HN 0.573 nan 8.150 nan 0.000 0.443 558 A N -0.602 122.288 122.820 0.117 0.000 1.927 558 A HA -0.109 4.211 4.320 0.000 0.000 0.220 558 A C 2.242 179.943 177.584 0.196 0.000 1.185 558 A CA 2.119 54.271 52.037 0.191 0.000 0.639 558 A CB -1.028 18.098 19.000 0.210 0.000 0.820 558 A HN 0.465 nan 8.150 nan 0.000 0.451 559 V N -0.362 119.655 119.914 0.172 0.000 2.358 559 V HA -0.216 3.904 4.120 0.000 0.000 0.246 559 V C 2.516 178.778 176.094 0.280 0.000 1.047 559 V CA 1.878 64.314 62.300 0.227 0.000 1.035 559 V CB -0.641 31.285 31.823 0.172 0.000 0.658 559 V HN 0.565 nan 8.190 nan 0.000 0.452 560 L N -0.636 120.692 121.223 0.175 0.000 2.109 560 L HA -0.132 4.209 4.340 0.000 0.000 0.207 560 L C 2.489 179.391 176.870 0.054 0.000 1.086 560 L CA 1.383 56.283 54.840 0.101 0.000 0.760 560 L CB -0.343 41.718 42.059 0.002 0.000 0.910 560 L HN 0.309 nan 8.230 nan 0.000 0.437 561 E N -1.224 118.960 120.200 -0.026 0.000 2.051 561 E HA -0.095 4.255 4.350 0.000 0.000 0.189 561 E C 1.756 178.233 176.600 -0.204 0.000 0.979 561 E CA 0.912 57.183 56.400 -0.215 0.000 0.803 561 E CB 0.221 29.643 29.700 -0.464 0.000 0.761 561 E HN 0.427 nan 8.360 nan 0.000 0.451 562 H N -2.579 116.599 119.070 0.181 0.000 3.046 562 H HA 0.341 4.897 4.556 0.000 0.000 0.262 562 H C 0.966 176.425 175.328 0.218 0.000 1.044 562 H CA 0.739 56.892 56.048 0.175 0.000 1.209 562 H CB 1.222 31.064 29.762 0.134 0.000 1.507 562 H HN 0.144 nan 8.280 nan 0.000 0.507 563 G N -0.398 108.608 108.800 0.343 0.000 3.774 563 G HA2 0.033 3.994 3.960 0.000 0.000 0.287 563 G HA3 0.033 3.994 3.960 0.000 0.000 0.287 563 G C -0.485 174.648 174.900 0.388 0.000 1.030 563 G CA -0.246 45.044 45.100 0.317 0.000 0.824 563 G HN 0.176 nan 8.290 nan 0.000 0.518 564 W N 1.185 122.536 121.300 0.084 0.000 2.529 564 W HA 0.424 5.084 4.660 0.000 0.000 0.321 564 W C -0.895 175.543 176.519 -0.135 0.000 1.047 564 W CA -0.681 56.626 57.345 -0.064 0.000 1.216 564 W CB 2.123 31.512 29.460 -0.120 0.000 1.357 564 W HN 0.160 nan 8.180 nan 0.000 0.489 565 D N 2.330 122.062 120.400 -1.114 0.000 2.360 565 D HA 0.222 4.862 4.640 0.000 0.000 0.210 565 D C 1.505 177.132 176.300 -1.122 0.000 1.047 565 D CA 1.395 54.827 54.000 -0.947 0.000 0.854 565 D CB 0.461 40.732 40.800 -0.882 0.000 0.936 565 D HN 0.736 nan 8.370 nan 0.000 0.514 566 G N -0.009 107.796 108.800 -1.659 0.000 2.792 566 G HA2 -0.228 3.732 3.960 0.000 0.000 0.201 566 G HA3 -0.228 3.732 3.960 0.000 0.000 0.201 566 G C 0.936 175.383 174.900 -0.756 0.000 1.322 566 G CA 0.104 44.697 45.100 -0.844 0.000 0.910 566 G HN 0.231 nan 8.290 nan 0.000 0.535 567 Q N -0.467 118.653 119.800 -1.133 0.000 2.189 567 Q HA 0.334 4.674 4.340 0.000 0.000 0.223 567 Q C 0.075 175.802 176.000 -0.454 0.000 0.828 567 Q CA 0.775 56.241 55.803 -0.562 0.000 0.967 567 Q CB 1.278 29.861 28.738 -0.258 0.000 1.139 567 Q HN 0.847 nan 8.270 nan 0.000 0.497 568 W N -1.766 118.954 121.300 -0.968 0.000 2.937 568 W HA 0.605 5.265 4.660 0.000 0.000 0.360 568 W C -1.342 174.722 176.519 -0.758 0.000 1.215 568 W CA -1.486 55.519 57.345 -0.568 0.000 1.183 568 W CB -0.282 29.096 29.460 -0.136 0.000 1.458 568 W HN -0.236 nan 8.180 nan 0.000 0.574 569 F N 2.369 122.495 119.950 0.295 0.000 2.429 569 F HA 0.362 4.889 4.527 0.000 0.000 0.348 569 F C 0.904 176.873 175.800 0.282 0.000 1.109 569 F CA -0.357 57.812 58.000 0.283 0.000 1.232 569 F CB 0.149 39.356 39.000 0.347 0.000 1.157 569 F HN 0.074 nan 8.300 nan 0.000 0.564 570 L N 2.621 124.025 121.223 0.301 0.000 2.473 570 L HA 0.129 4.469 4.340 0.000 0.000 0.268 570 L C 1.344 178.275 176.870 0.101 0.000 1.215 570 L CA 0.302 55.218 54.840 0.126 0.000 0.823 570 L CB 0.363 42.397 42.059 -0.042 0.000 1.099 570 L HN 0.632 nan 8.230 nan 0.000 0.483 571 R N 1.708 122.156 120.500 -0.086 0.000 2.103 571 R HA 0.545 4.885 4.340 0.000 0.000 0.212 571 R C -0.490 175.678 176.300 -0.219 0.000 1.107 571 R CA 1.008 56.987 56.100 -0.202 0.000 1.025 571 R CB 0.203 30.108 30.300 -0.658 0.000 0.929 571 R HN 0.756 nan 8.270 nan 0.000 0.456 572 A N -2.001 120.632 122.820 -0.313 0.000 2.564 572 A HA 0.577 4.897 4.320 0.000 0.000 0.291 572 A C -1.845 175.524 177.584 -0.358 0.000 1.102 572 A CA -0.638 51.259 52.037 -0.234 0.000 0.660 572 A CB 0.443 19.301 19.000 -0.238 0.000 1.283 572 A HN 0.123 nan 8.150 nan 0.000 0.430 573 Y N 1.069 121.336 120.300 -0.055 0.000 2.376 573 Y HA 0.455 5.005 4.550 0.000 0.000 0.340 573 Y C 0.277 176.178 175.900 0.002 0.000 0.965 573 Y CA -0.420 57.669 58.100 -0.018 0.000 1.078 573 Y CB 1.831 40.299 38.460 0.013 0.000 1.193 573 Y HN 0.920 nan 8.280 nan 0.000 0.452 574 D N 0.545 121.052 120.400 0.178 0.000 2.440 574 D HA -0.081 4.560 4.640 0.000 0.000 0.269 574 D C 1.007 177.419 176.300 0.185 0.000 1.249 574 D CA -0.275 53.813 54.000 0.146 0.000 1.055 574 D CB 0.003 40.889 40.800 0.144 0.000 1.104 574 D HN 0.600 nan 8.370 nan 0.000 0.561 575 Y N -0.901 119.425 120.300 0.043 0.000 2.333 575 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 575 Y C 1.052 176.819 175.900 -0.222 0.000 1.144 575 Y CA 1.457 59.494 58.100 -0.105 0.000 1.228 575 Y CB -0.112 38.277 38.460 -0.119 0.000 0.985 575 Y HN 0.329 nan 8.280 nan 0.000 0.542 576 Y N -0.614 119.872 120.300 0.309 0.000 2.458 576 Y HA 0.337 4.887 4.550 0.000 0.000 0.256 576 Y C 1.732 177.701 175.900 0.115 0.000 1.159 576 Y CA 0.018 58.234 58.100 0.194 0.000 1.261 576 Y CB 0.480 39.072 38.460 0.220 0.000 1.119 576 Y HN 0.145 nan 8.280 nan 0.000 0.524 577 G N 0.229 109.175 108.800 0.243 0.000 2.141 577 G HA2 -0.263 3.697 3.960 0.000 0.000 0.242 577 G HA3 -0.263 3.697 3.960 0.000 0.000 0.242 577 G C -0.199 174.923 174.900 0.369 0.000 0.982 577 G CA -0.306 44.939 45.100 0.241 0.000 0.662 577 G HN 0.274 nan 8.290 nan 0.000 0.527 578 N N 2.112 121.009 118.700 0.329 0.000 2.497 578 N HA 0.360 5.100 4.740 0.000 0.000 0.271 578 N C -2.391 173.240 175.510 0.202 0.000 1.142 578 N CA -0.896 52.314 53.050 0.267 0.000 0.965 578 N CB 1.340 39.944 38.487 0.195 0.000 1.077 578 N HN 0.209 nan 8.380 nan 0.000 0.462 579 P HA 0.055 nan 4.420 nan 0.000 0.268 579 P C -0.450 176.739 177.300 -0.186 0.000 1.205 579 P CA -0.086 62.819 63.100 -0.325 0.000 0.771 579 P CB 0.787 32.342 31.700 -0.242 0.000 0.858 580 V N 1.927 121.672 119.914 -0.282 0.000 2.495 580 V HA 0.638 4.758 4.120 0.000 0.000 0.298 580 V C 0.983 176.951 176.094 -0.210 0.000 1.031 580 V CA 0.220 62.400 62.300 -0.199 0.000 0.871 580 V CB 0.827 32.462 31.823 -0.312 0.000 0.988 580 V HN 0.945 nan 8.190 nan 0.000 0.432 581 G N 2.712 111.520 108.800 0.013 0.000 2.248 581 G HA2 -0.178 3.782 3.960 0.000 0.000 0.252 581 G HA3 -0.178 3.782 3.960 0.000 0.000 0.252 581 G C -0.013 175.075 174.900 0.312 0.000 1.085 581 G CA 0.294 45.513 45.100 0.199 0.000 0.845 581 G HN 1.014 nan 8.290 nan 0.000 0.494 582 T N -1.499 113.202 114.554 0.244 0.000 2.912 582 T HA 0.534 4.884 4.350 0.000 0.000 0.288 582 T C 1.017 175.892 174.700 0.291 0.000 1.030 582 T CA 0.318 62.550 62.100 0.220 0.000 1.020 582 T CB 1.613 70.505 68.868 0.041 0.000 1.056 582 T HN 0.073 nan 8.240 nan 0.000 0.480 583 D N 2.067 122.625 120.400 0.263 0.000 2.371 583 D HA 0.142 4.782 4.640 0.000 0.000 0.221 583 D C 1.818 178.190 176.300 0.120 0.000 0.986 583 D CA 0.949 55.114 54.000 0.275 0.000 0.899 583 D CB -0.110 40.776 40.800 0.144 0.000 0.902 583 D HN 0.588 nan 8.370 nan 0.000 0.530 584 A N -0.286 122.577 122.820 0.071 0.000 2.168 584 A HA -0.012 4.308 4.320 0.000 0.000 0.215 584 A C 1.008 178.629 177.584 0.063 0.000 1.152 584 A CA 0.586 52.653 52.037 0.050 0.000 0.716 584 A CB -0.018 19.001 19.000 0.031 0.000 0.794 584 A HN -0.055 nan 8.150 nan 0.000 0.465 585 K N -0.285 120.166 120.400 0.085 0.000 2.123 585 K HA 0.330 4.650 4.320 0.000 0.000 0.259 585 K C -2.120 174.509 176.600 0.048 0.000 0.960 585 K CA -2.212 54.123 56.287 0.081 0.000 0.872 585 K CB 1.377 33.950 32.500 0.121 0.000 1.079 585 K HN -0.051 nan 8.250 nan 0.000 0.440 586 P HA -0.033 nan 4.420 nan 0.000 0.222 586 P C -0.511 176.721 177.300 -0.113 0.000 1.153 586 P CA 1.016 64.100 63.100 -0.027 0.000 0.798 586 P CB 0.689 32.381 31.700 -0.014 0.000 0.796 587 E N -1.315 118.815 120.200 -0.115 0.000 2.317 587 E HA 0.480 4.830 4.350 0.000 0.000 0.270 587 E C -0.131 176.220 176.600 -0.414 0.000 0.885 587 E CA -0.904 55.288 56.400 -0.348 0.000 0.760 587 E CB 1.510 30.987 29.700 -0.371 0.000 1.227 587 E HN -0.006 nan 8.360 nan 0.000 0.434 588 G N 2.481 110.871 108.800 -0.683 0.000 2.338 588 G HA2 -0.356 3.604 3.960 0.000 0.000 0.296 588 G HA3 -0.356 3.604 3.960 0.000 0.000 0.296 588 G C 0.595 175.543 174.900 0.080 0.000 1.040 588 G CA 0.911 45.803 45.100 -0.345 0.000 1.004 588 G HN 0.548 nan 8.290 nan 0.000 0.509 589 K N -0.921 119.437 120.400 -0.070 0.000 2.057 589 K HA 0.115 4.435 4.320 0.000 0.000 0.207 589 K C 1.385 177.988 176.600 0.005 0.000 1.049 589 K CA 1.297 57.624 56.287 0.067 0.000 0.931 589 K CB 0.429 32.944 32.500 0.026 0.000 0.714 589 K HN 0.617 nan 8.250 nan 0.000 0.440 590 I N 0.308 120.694 120.570 -0.307 0.000 2.466 590 I HA 0.237 4.407 4.170 0.000 0.000 0.289 590 I C -1.682 174.388 176.117 -0.078 0.000 1.026 590 I CA -0.979 59.972 61.300 -0.582 0.000 1.078 590 I CB 1.070 38.326 38.000 -1.239 0.000 1.249 590 I HN -0.027 nan 8.210 nan 0.000 0.429 591 W N 6.755 127.947 121.300 -0.179 0.000 2.606 591 W HA 0.461 5.121 4.660 0.000 0.000 0.332 591 W C 0.852 177.373 176.519 0.003 0.000 1.052 591 W CA -0.528 56.788 57.345 -0.048 0.000 1.223 591 W CB 1.398 30.876 29.460 0.031 0.000 1.383 591 W HN 0.386 nan 8.180 nan 0.000 0.524 592 I N 1.616 122.310 120.570 0.205 0.000 2.546 592 I HA -0.252 3.918 4.170 0.000 0.000 0.255 592 I C 1.439 177.720 176.117 0.273 0.000 1.163 592 I CA 1.498 62.900 61.300 0.169 0.000 1.457 592 I CB 0.272 38.316 38.000 0.073 0.000 1.092 592 I HN 0.518 nan 8.210 nan 0.000 0.434 593 E N 1.132 121.536 120.200 0.340 0.000 2.047 593 E HA -0.152 4.198 4.350 0.000 0.000 0.191 593 E C -0.857 176.005 176.600 0.437 0.000 0.987 593 E CA 1.313 57.966 56.400 0.422 0.000 0.799 593 E CB -1.403 28.517 29.700 0.366 0.000 0.752 593 E HN 0.484 nan 8.360 nan 0.000 0.449 594 P HA -0.110 nan 4.420 nan 0.000 0.223 594 P C 0.849 178.261 177.300 0.186 0.000 1.151 594 P CA 1.074 64.320 63.100 0.243 0.000 0.787 594 P CB 0.215 32.048 31.700 0.221 0.000 0.788 595 Q N 0.234 120.230 119.800 0.327 0.000 2.020 595 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 595 Q C 2.532 178.687 176.000 0.259 0.000 0.982 595 Q CA 2.203 58.236 55.803 0.383 0.000 0.838 595 Q CB -1.924 27.034 28.738 0.366 0.000 0.899 595 Q HN 0.297 nan 8.270 nan 0.000 0.423 596 G N -0.611 108.349 108.800 0.266 0.000 2.403 596 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 596 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 596 G C 1.244 176.182 174.900 0.065 0.000 1.154 596 G CA 0.164 45.398 45.100 0.224 0.000 0.784 596 G HN 0.261 nan 8.290 nan 0.000 0.538 597 F N 1.639 121.526 119.950 -0.105 0.000 2.270 597 F HA 0.270 4.797 4.527 0.000 0.000 0.295 597 F C 2.848 178.430 175.800 -0.363 0.000 1.087 597 F CA 0.886 58.653 58.000 -0.389 0.000 1.365 597 F CB 0.114 38.788 39.000 -0.544 0.000 1.056 597 F HN 0.209 nan 8.300 nan 0.000 0.506 598 A N -0.444 122.253 122.820 -0.206 0.000 1.908 598 A HA -0.165 4.156 4.320 0.000 0.000 0.218 598 A C 2.193 179.617 177.584 -0.267 0.000 1.181 598 A CA 2.111 53.912 52.037 -0.394 0.000 0.627 598 A CB -1.230 17.169 19.000 -1.002 0.000 0.818 598 A HN 0.206 nan 8.150 nan 0.000 0.445 599 V N -0.538 119.287 119.914 -0.149 0.000 2.591 599 V HA -0.228 3.892 4.120 0.000 0.000 0.249 599 V C 2.531 178.532 176.094 -0.155 0.000 1.053 599 V CA 1.840 64.104 62.300 -0.060 0.000 1.068 599 V CB -0.687 31.173 31.823 0.062 0.000 0.689 599 V HN 0.552 nan 8.190 nan 0.000 0.462 600 M N 0.348 119.773 119.600 -0.292 0.000 2.149 600 M HA -0.158 4.323 4.480 0.000 0.000 0.261 600 M C 2.094 178.157 176.300 -0.395 0.000 1.064 600 M CA 2.133 57.183 55.300 -0.417 0.000 1.102 600 M CB -0.442 31.713 32.600 -0.741 0.000 1.369 600 M HN 0.373 nan 8.290 nan 0.000 0.408 601 A N -0.368 122.195 122.820 -0.428 0.000 2.235 601 A HA 0.294 4.614 4.320 0.000 0.000 0.208 601 A C 1.590 179.068 177.584 -0.177 0.000 1.172 601 A CA 0.812 52.656 52.037 -0.321 0.000 0.786 601 A CB -1.063 17.745 19.000 -0.320 0.000 0.804 601 A HN 0.696 nan 8.150 nan 0.000 0.479 602 G N -0.787 107.930 108.800 -0.139 0.000 2.153 602 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 602 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 602 G C 0.098 174.977 174.900 -0.036 0.000 0.994 602 G CA 0.318 45.378 45.100 -0.067 0.000 0.698 602 G HN 0.514 nan 8.290 nan 0.000 0.521 603 I N 0.577 121.121 120.570 -0.043 0.000 2.396 603 I HA 0.413 4.583 4.170 0.000 0.000 0.289 603 I C 1.631 177.827 176.117 0.132 0.000 1.056 603 I CA 1.233 62.546 61.300 0.021 0.000 1.365 603 I CB 0.835 38.818 38.000 -0.028 0.000 1.407 603 I HN 0.761 nan 8.210 nan 0.000 0.509 604 G N 4.287 113.137 108.800 0.083 0.000 2.157 604 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 604 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 604 G C 0.109 175.013 174.900 0.007 0.000 0.979 604 G CA -0.224 44.894 45.100 0.030 0.000 0.650 604 G HN 0.448 nan 8.290 nan 0.000 0.529 605 V N 0.572 120.497 119.914 0.018 0.000 2.637 605 V HA 0.601 4.721 4.120 0.000 0.000 0.296 605 V C 1.413 177.501 176.094 -0.010 0.000 1.046 605 V CA 0.740 63.047 62.300 0.011 0.000 1.066 605 V CB 1.080 32.910 31.823 0.011 0.000 0.968 605 V HN 0.672 nan 8.190 nan 0.000 0.483 606 G N 2.281 111.077 108.800 -0.007 0.000 3.247 606 G HA2 0.368 4.328 3.960 0.000 0.000 0.163 606 G HA3 0.368 4.328 3.960 0.000 0.000 0.163 606 G C 0.358 175.255 174.900 -0.006 0.000 1.206 606 G CA -0.089 45.002 45.100 -0.015 0.000 0.918 606 G HN 0.523 nan 8.290 nan 0.000 0.625 607 E N -0.084 120.114 120.200 -0.005 0.000 2.318 607 E HA 0.295 4.645 4.350 0.000 0.000 0.193 607 E C 0.988 177.591 176.600 0.005 0.000 0.998 607 E CA 0.775 57.175 56.400 -0.001 0.000 0.859 607 E CB 0.733 30.431 29.700 -0.003 0.000 0.812 607 E HN 0.662 nan 8.360 nan 0.000 0.492 608 G N -0.164 108.641 108.800 0.009 0.000 2.313 608 G HA2 0.114 4.074 3.960 0.000 0.000 0.296 608 G HA3 0.114 4.074 3.960 0.000 0.000 0.296 608 G C -2.434 172.478 174.900 0.020 0.000 1.356 608 G CA -0.561 44.547 45.100 0.014 0.000 0.833 608 G HN -0.282 nan 8.290 nan 0.000 0.552 609 P HA -0.051 nan 4.420 nan 0.000 0.221 609 P C 0.531 177.848 177.300 0.028 0.000 1.141 609 P CA 1.946 65.063 63.100 0.029 0.000 0.794 609 P CB 0.066 31.781 31.700 0.025 0.000 0.764 610 D N -2.596 117.817 120.400 0.022 0.000 2.469 610 D HA 0.014 4.654 4.640 0.000 0.000 0.215 610 D C 0.127 176.438 176.300 0.018 0.000 1.154 610 D CA -0.315 53.698 54.000 0.020 0.000 0.832 610 D CB -0.851 39.958 40.800 0.016 0.000 1.008 610 D HN -0.059 nan 8.370 nan 0.000 0.506 611 D N 1.138 121.547 120.400 0.016 0.000 2.416 611 D HA 0.257 4.898 4.640 0.000 0.000 0.240 611 D C 1.067 177.376 176.300 0.014 0.000 1.250 611 D CA -0.189 53.817 54.000 0.010 0.000 0.967 611 D CB 0.716 41.518 40.800 0.003 0.000 1.059 611 D HN 0.140 nan 8.370 nan 0.000 0.512 612 A N 3.543 126.373 122.820 0.017 0.000 2.209 612 A HA -0.075 4.245 4.320 0.000 0.000 0.212 612 A C 1.497 179.093 177.584 0.020 0.000 1.158 612 A CA 0.490 52.543 52.037 0.026 0.000 0.742 612 A CB 0.143 19.159 19.000 0.027 0.000 0.790 612 A HN 0.429 nan 8.150 nan 0.000 0.472 613 D N 0.052 120.453 120.400 0.001 0.000 2.349 613 D HA 0.230 4.870 4.640 0.000 0.000 0.215 613 D C 0.706 176.977 176.300 -0.049 0.000 1.016 613 D CA 0.689 54.679 54.000 -0.016 0.000 0.870 613 D CB 0.186 40.972 40.800 -0.024 0.000 0.917 613 D HN 0.400 nan 8.370 nan 0.000 0.524 614 A N 1.423 124.218 122.820 -0.040 0.000 2.301 614 A HA 0.411 4.732 4.320 0.000 0.000 0.298 614 A C -1.582 175.935 177.584 -0.111 0.000 1.185 614 A CA -1.175 50.814 52.037 -0.080 0.000 0.830 614 A CB 1.148 20.126 19.000 -0.036 0.000 1.112 614 A HN -0.163 nan 8.150 nan 0.000 0.508 615 P HA -0.212 nan 4.420 nan 0.000 0.215 615 P C 1.724 178.972 177.300 -0.086 0.000 1.157 615 P CA 2.383 65.149 63.100 -0.558 0.000 0.874 615 P CB 0.173 31.185 31.700 -1.147 0.000 0.790 616 A N -0.669 122.172 122.820 0.034 0.000 1.917 616 A HA -0.199 4.121 4.320 0.000 0.000 0.219 616 A C 2.357 180.051 177.584 0.183 0.000 1.182 616 A CA 2.168 54.324 52.037 0.198 0.000 0.633 616 A CB -1.766 17.322 19.000 0.147 0.000 0.819 616 A HN 0.069 nan 8.150 nan 0.000 0.448 617 V N -0.208 119.775 119.914 0.116 0.000 2.379 617 V HA -0.225 3.895 4.120 0.000 0.000 0.245 617 V C 2.404 178.592 176.094 0.158 0.000 1.044 617 V CA 2.241 64.613 62.300 0.120 0.000 1.036 617 V CB -0.636 31.233 31.823 0.076 0.000 0.664 617 V HN 0.550 nan 8.190 nan 0.000 0.453 618 K N 0.487 120.994 120.400 0.179 0.000 2.057 618 K HA -0.139 4.181 4.320 0.000 0.000 0.207 618 K C 2.301 179.078 176.600 0.296 0.000 1.049 618 K CA 1.516 57.945 56.287 0.237 0.000 0.931 618 K CB -0.427 32.259 32.500 0.310 0.000 0.714 618 K HN 0.474 nan 8.250 nan 0.000 0.440 619 A N 1.483 124.520 122.820 0.362 0.000 1.858 619 A HA -0.136 4.185 4.320 0.000 0.000 0.216 619 A C 2.149 179.922 177.584 0.315 0.000 1.190 619 A CA 1.278 53.553 52.037 0.397 0.000 0.617 619 A CB -0.723 18.586 19.000 0.514 0.000 0.827 619 A HN 0.152 nan 8.150 nan 0.000 0.443 620 L N -0.394 120.992 121.223 0.271 0.000 2.083 620 L HA -0.204 4.136 4.340 0.000 0.000 0.209 620 L C 2.069 179.058 176.870 0.199 0.000 1.083 620 L CA 1.446 56.424 54.840 0.230 0.000 0.752 620 L CB -0.749 41.436 42.059 0.210 0.000 0.899 620 L HN 0.335 nan 8.230 nan 0.000 0.433 621 D N -0.307 120.201 120.400 0.179 0.000 2.144 621 D HA -0.127 4.514 4.640 0.000 0.000 0.199 621 D C 2.375 178.759 176.300 0.140 0.000 0.984 621 D CA 1.477 55.565 54.000 0.146 0.000 0.834 621 D CB -0.030 40.847 40.800 0.128 0.000 0.955 621 D HN 0.237 nan 8.370 nan 0.000 0.465 622 S N 0.233 116.042 115.700 0.181 0.000 2.383 622 S HA -0.081 4.389 4.470 0.000 0.000 0.227 622 S C 2.396 177.028 174.600 0.054 0.000 1.026 622 S CA 0.377 58.675 58.200 0.162 0.000 0.981 622 S CB -0.274 63.128 63.200 0.336 0.000 0.818 622 S HN 0.080 nan 8.310 nan 0.000 0.472 623 V N 2.841 122.802 119.914 0.080 0.000 2.287 623 V HA -0.265 3.856 4.120 0.000 0.000 0.248 623 V C 2.370 178.464 176.094 0.001 0.000 1.053 623 V CA 2.197 64.508 62.300 0.018 0.000 1.027 623 V CB -1.013 30.849 31.823 0.065 0.000 0.646 623 V HN 0.520 nan 8.190 nan 0.000 0.447 624 N N 0.168 118.921 118.700 0.089 0.000 2.043 624 N HA -0.244 4.496 4.740 0.000 0.000 0.193 624 N C 1.853 177.376 175.510 0.022 0.000 1.037 624 N CA 1.862 54.983 53.050 0.117 0.000 0.851 624 N CB -0.215 38.377 38.487 0.174 0.000 1.027 624 N HN 0.500 nan 8.380 nan 0.000 0.422 625 E N 0.053 120.257 120.200 0.008 0.000 2.047 625 E HA -0.099 4.252 4.350 0.000 0.000 0.191 625 E C 1.756 178.271 176.600 -0.141 0.000 0.987 625 E CA 1.648 58.025 56.400 -0.039 0.000 0.799 625 E CB -0.149 29.548 29.700 -0.004 0.000 0.752 625 E HN 0.557 nan 8.360 nan 0.000 0.449 626 M N -0.927 118.563 119.600 -0.183 0.000 2.534 626 M HA 0.187 4.667 4.480 0.000 0.000 0.263 626 M C 1.536 177.569 176.300 -0.445 0.000 1.152 626 M CA 0.452 55.525 55.300 -0.380 0.000 1.145 626 M CB 0.441 32.866 32.600 -0.292 0.000 1.333 626 M HN 0.035 nan 8.290 nan 0.000 0.477 627 L N -0.639 120.431 121.223 -0.255 0.000 2.616 627 L HA 0.321 4.661 4.340 0.000 0.000 0.229 627 L C 1.080 177.842 176.870 -0.179 0.000 1.110 627 L CA -0.517 54.197 54.840 -0.210 0.000 0.884 627 L CB -0.162 41.800 42.059 -0.162 0.000 1.115 627 L HN 0.160 nan 8.230 nan 0.000 0.481 628 G N 0.506 109.215 108.800 -0.152 0.000 2.444 628 G HA2 0.453 4.413 3.960 0.000 0.000 0.268 628 G HA3 0.453 4.413 3.960 0.000 0.000 0.268 628 G C -0.223 174.620 174.900 -0.094 0.000 1.203 628 G CA 0.203 45.240 45.100 -0.105 0.000 0.835 628 G HN 0.106 nan 8.290 nan 0.000 0.543 629 T N -0.866 113.644 114.554 -0.073 0.000 2.792 629 T HA 0.535 4.886 4.350 0.000 0.000 0.303 629 T C -2.396 172.252 174.700 -0.086 0.000 1.310 629 T CA -1.286 60.773 62.100 -0.068 0.000 1.007 629 T CB 2.027 70.872 68.868 -0.038 0.000 1.335 629 T HN 0.113 nan 8.240 nan 0.000 0.504 630 P HA 0.015 nan 4.420 nan 0.000 0.223 630 P C 0.510 177.587 177.300 -0.372 0.000 1.144 630 P CA 1.202 64.133 63.100 -0.281 0.000 0.783 630 P CB -0.187 31.271 31.700 -0.402 0.000 0.771 631 H N -2.433 116.609 119.070 -0.046 0.000 2.652 631 H HA 0.455 5.011 4.556 0.000 0.000 0.274 631 H C 1.140 176.432 175.328 -0.060 0.000 1.021 631 H CA 0.312 56.331 56.048 -0.048 0.000 1.187 631 H CB 0.453 30.185 29.762 -0.050 0.000 1.505 631 H HN 0.109 nan 8.280 nan 0.000 0.530 632 G N 0.139 108.943 108.800 0.006 0.000 2.331 632 G HA2 -0.073 3.888 3.960 0.000 0.000 0.402 632 G HA3 -0.073 3.888 3.960 0.000 0.000 0.402 632 G C -1.644 173.196 174.900 -0.100 0.000 1.275 632 G CA -1.090 43.981 45.100 -0.048 0.000 1.003 632 G HN 0.088 nan 8.290 nan 0.000 0.500 633 L N 0.731 121.859 121.223 -0.159 0.000 2.282 633 L HA 0.645 4.985 4.340 0.000 0.000 0.288 633 L C 1.225 178.020 176.870 -0.125 0.000 1.033 633 L CA -1.247 53.482 54.840 -0.185 0.000 0.807 633 L CB 1.342 43.233 42.059 -0.280 0.000 1.209 633 L HN 0.823 nan 8.230 nan 0.000 0.423 634 V N 1.377 121.220 119.914 -0.119 0.000 3.003 634 V HA 0.139 4.259 4.120 0.000 0.000 0.305 634 V C 1.190 177.216 176.094 -0.112 0.000 1.078 634 V CA -0.284 61.952 62.300 -0.107 0.000 1.083 634 V CB 1.519 33.275 31.823 -0.112 0.000 1.039 634 V HN 0.885 nan 8.190 nan 0.000 0.481 635 L N 0.800 121.953 121.223 -0.115 0.000 2.017 635 L HA 0.003 4.344 4.340 0.000 0.000 0.208 635 L C 1.287 178.007 176.870 -0.250 0.000 1.073 635 L CA 1.844 56.601 54.840 -0.138 0.000 0.745 635 L CB -0.134 41.829 42.059 -0.160 0.000 0.894 635 L HN 1.095 nan 8.230 nan 0.000 0.432 636 Q N -1.773 117.799 119.800 -0.379 0.000 2.565 636 Q HA 0.221 4.561 4.340 0.000 0.000 0.294 636 Q C -1.850 173.960 176.000 -0.317 0.000 1.005 636 Q CA -0.734 54.772 55.803 -0.496 0.000 0.771 636 Q CB 1.788 29.825 28.738 -1.169 0.000 1.486 636 Q HN 0.079 nan 8.270 nan 0.000 0.422 637 Y N 0.492 120.531 120.300 -0.434 0.000 2.433 637 Y HA 0.573 5.123 4.550 0.000 0.000 0.337 637 Y C -2.921 172.785 175.900 -0.323 0.000 1.026 637 Y CA -1.792 56.102 58.100 -0.342 0.000 1.037 637 Y CB 2.615 40.909 38.460 -0.276 0.000 1.245 637 Y HN 0.495 nan 8.280 nan 0.000 0.443 638 P HA 0.379 nan 4.420 nan 0.000 0.276 638 P C -1.090 175.822 177.300 -0.648 0.000 1.261 638 P CA -0.286 62.177 63.100 -1.063 0.000 0.800 638 P CB 0.753 31.886 31.700 -0.946 0.000 1.066 639 A N 0.689 123.250 122.820 -0.431 0.000 2.425 639 A HA 0.217 4.537 4.320 0.000 0.000 0.242 639 A C -0.634 176.709 177.584 -0.400 0.000 1.077 639 A CA 0.018 51.833 52.037 -0.370 0.000 0.781 639 A CB -0.701 18.196 19.000 -0.173 0.000 1.020 639 A HN 0.433 nan 8.150 nan 0.000 0.494 640 Y N 0.643 120.886 120.300 -0.095 0.000 2.465 640 Y HA 0.190 4.740 4.550 0.000 0.000 0.331 640 Y C 1.925 177.819 175.900 -0.009 0.000 1.102 640 Y CA 0.899 58.977 58.100 -0.037 0.000 1.358 640 Y CB 0.564 39.025 38.460 0.002 0.000 1.213 640 Y HN 0.754 nan 8.280 nan 0.000 0.525 641 T N -2.473 112.149 114.554 0.112 0.000 3.060 641 T HA 0.123 4.473 4.350 0.000 0.000 0.249 641 T C 0.411 175.179 174.700 0.113 0.000 1.079 641 T CA 0.422 62.573 62.100 0.085 0.000 1.013 641 T CB -0.237 68.652 68.868 0.035 0.000 0.975 641 T HN 0.628 nan 8.240 nan 0.000 0.518 642 T N -1.328 113.319 114.554 0.155 0.000 2.903 642 T HA 0.466 4.816 4.350 0.000 0.000 0.299 642 T C -0.874 173.937 174.700 0.185 0.000 1.093 642 T CA -1.060 61.128 62.100 0.146 0.000 1.002 642 T CB 1.273 70.208 68.868 0.112 0.000 1.127 642 T HN 0.245 nan 8.240 nan 0.000 0.488 643 Y N 2.384 122.700 120.300 0.026 0.000 2.745 643 Y HA 0.077 4.627 4.550 0.000 0.000 0.335 643 Y C 0.258 176.139 175.900 -0.032 0.000 1.212 643 Y CA -0.472 57.623 58.100 -0.007 0.000 1.535 643 Y CB 0.418 38.883 38.460 0.009 0.000 1.220 643 Y HN 0.488 nan 8.280 nan 0.000 0.531 644 Q N 8.038 127.683 119.800 -0.258 0.000 2.509 644 Q HA 0.056 4.396 4.340 0.000 0.000 0.230 644 Q C 0.892 176.497 176.000 -0.659 0.000 1.089 644 Q CA -0.252 55.304 55.803 -0.411 0.000 0.901 644 Q CB 1.122 29.645 28.738 -0.358 0.000 1.208 644 Q HN 0.927 nan 8.270 nan 0.000 0.529 645 I N 2.799 122.865 120.570 -0.840 0.000 2.315 645 I HA -0.307 3.863 4.170 0.000 0.000 0.251 645 I C 2.002 177.750 176.117 -0.616 0.000 1.125 645 I CA 1.954 62.764 61.300 -0.816 0.000 1.392 645 I CB 0.144 37.883 38.000 -0.434 0.000 1.065 645 I HN 0.549 nan 8.210 nan 0.000 0.424 646 E N 0.438 120.295 120.200 -0.572 0.000 2.435 646 E HA -0.127 4.223 4.350 0.000 0.000 0.195 646 E C 1.810 178.071 176.600 -0.564 0.000 1.029 646 E CA 0.957 56.846 56.400 -0.853 0.000 0.865 646 E CB -0.595 28.907 29.700 -0.330 0.000 0.833 646 E HN 0.604 nan 8.360 nan 0.000 0.510 647 L N -0.067 120.916 121.223 -0.401 0.000 2.529 647 L HA 0.267 4.607 4.340 0.000 0.000 0.223 647 L C 1.498 178.221 176.870 -0.244 0.000 1.113 647 L CA 0.275 54.944 54.840 -0.285 0.000 0.861 647 L CB -0.227 41.662 42.059 -0.283 0.000 1.012 647 L HN 0.359 nan 8.230 nan 0.000 0.461 648 G N 1.250 109.898 108.800 -0.254 0.000 2.554 648 G HA2 -0.383 3.578 3.960 0.000 0.000 0.253 648 G HA3 -0.383 3.578 3.960 0.000 0.000 0.253 648 G C 0.602 175.133 174.900 -0.614 0.000 1.172 648 G CA 0.399 45.366 45.100 -0.222 0.000 0.950 648 G HN 0.291 nan 8.290 nan 0.000 0.557 649 E N -0.100 119.539 120.200 -0.935 0.000 2.208 649 E HA 0.109 4.459 4.350 0.000 0.000 0.193 649 E C 2.570 178.905 176.600 -0.442 0.000 0.988 649 E CA 1.502 57.183 56.400 -1.198 0.000 0.828 649 E CB -0.054 29.139 29.700 -0.845 0.000 0.763 649 E HN 0.676 nan 8.360 nan 0.000 0.478 650 V N 1.260 121.056 119.914 -0.196 0.000 2.252 650 V HA -0.299 3.821 4.120 0.000 0.000 0.249 650 V C 2.211 178.330 176.094 0.040 0.000 1.056 650 V CA 2.670 64.971 62.300 0.001 0.000 1.022 650 V CB -0.491 31.386 31.823 0.090 0.000 0.641 650 V HN 0.571 nan 8.190 nan 0.000 0.445 651 S N -0.837 114.831 115.700 -0.053 0.000 2.603 651 S HA -0.114 4.357 4.470 0.000 0.000 0.229 651 S C 1.765 176.412 174.600 0.080 0.000 0.972 651 S CA 1.190 59.422 58.200 0.053 0.000 0.935 651 S CB -0.605 62.579 63.200 -0.026 0.000 0.769 651 S HN 0.884 nan 8.310 nan 0.000 0.536 652 T N -1.952 112.569 114.554 -0.056 0.000 3.043 652 T HA 0.142 4.492 4.350 0.000 0.000 0.263 652 T C 0.457 175.052 174.700 -0.174 0.000 1.094 652 T CA -0.134 61.856 62.100 -0.182 0.000 1.127 652 T CB -0.738 67.934 68.868 -0.326 0.000 0.905 652 T HN 0.438 nan 8.240 nan 0.000 0.490 653 Y N 2.733 123.034 120.300 0.002 0.000 2.411 653 Y HA 0.379 4.929 4.550 0.000 0.000 0.333 653 Y C -2.115 173.833 175.900 0.080 0.000 1.186 653 Y CA -2.550 55.576 58.100 0.042 0.000 1.381 653 Y CB 0.304 38.802 38.460 0.064 0.000 1.273 653 Y HN 0.093 nan 8.280 nan 0.000 0.546 654 P HA 0.071 nan 4.420 nan 0.000 0.271 654 P C -2.565 174.910 177.300 0.293 0.000 1.218 654 P CA -1.150 62.099 63.100 0.247 0.000 0.780 654 P CB 0.229 32.069 31.700 0.234 0.000 0.901 655 P HA 0.021 nan 4.420 nan 0.000 0.262 655 P C 0.899 178.162 177.300 -0.061 0.000 1.182 655 P CA 1.561 64.691 63.100 0.049 0.000 0.761 655 P CB -0.000 31.706 31.700 0.011 0.000 0.795 656 G N 1.383 110.085 108.800 -0.164 0.000 2.175 656 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 656 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 656 G C -0.465 174.107 174.900 -0.548 0.000 0.982 656 G CA -0.444 44.435 45.100 -0.368 0.000 0.641 656 G HN 0.458 nan 8.290 nan 0.000 0.527 657 Y N 0.265 120.522 120.300 -0.071 0.000 2.393 657 Y HA 0.616 5.166 4.550 0.000 0.000 0.341 657 Y C 1.233 176.969 175.900 -0.274 0.000 0.988 657 Y CA -0.614 57.408 58.100 -0.131 0.000 1.078 657 Y CB 1.441 39.861 38.460 -0.066 0.000 1.203 657 Y HN 0.117 nan 8.280 nan 0.000 0.453 658 K N 0.635 120.951 120.400 -0.139 0.000 1.779 658 K HA -0.333 3.987 4.320 0.000 0.000 0.128 658 K C 0.875 177.408 176.600 -0.112 0.000 1.288 658 K CA 1.856 58.032 56.287 -0.185 0.000 0.398 658 K CB -0.717 31.247 32.500 -0.893 0.000 0.609 658 K HN 0.888 nan 8.250 nan 0.000 0.874 659 E N 1.460 121.435 120.200 -0.376 0.000 2.427 659 E HA 0.010 4.360 4.350 0.000 0.000 0.196 659 E C 0.820 177.302 176.600 -0.197 0.000 1.028 659 E CA 0.390 56.586 56.400 -0.340 0.000 0.864 659 E CB -0.114 29.401 29.700 -0.309 0.000 0.813 659 E HN 0.298 nan 8.360 nan 0.000 0.514 660 N N -0.266 118.370 118.700 -0.107 0.000 3.194 660 N HA 0.158 4.898 4.740 0.000 0.000 0.271 660 N C -0.106 175.346 175.510 -0.096 0.000 1.308 660 N CA 0.327 53.352 53.050 -0.042 0.000 1.042 660 N CB 0.259 38.829 38.487 0.138 0.000 1.310 660 N HN 0.210 nan 8.380 nan 0.000 0.502 661 G N 1.241 109.936 108.800 -0.175 0.000 2.157 661 G HA2 -0.213 3.747 3.960 0.000 0.000 0.239 661 G HA3 -0.213 3.747 3.960 0.000 0.000 0.239 661 G C 0.383 175.190 174.900 -0.155 0.000 0.982 661 G CA -0.177 44.821 45.100 -0.169 0.000 0.650 661 G HN 0.662 nan 8.290 nan 0.000 0.527 662 G N -0.553 108.170 108.800 -0.127 0.000 2.537 662 G HA2 0.570 4.530 3.960 0.000 0.000 0.273 662 G HA3 0.570 4.530 3.960 0.000 0.000 0.273 662 G C 0.238 175.101 174.900 -0.063 0.000 1.189 662 G CA -0.805 44.227 45.100 -0.114 0.000 0.881 662 G HN 0.635 nan 8.290 nan 0.000 0.535 663 I N 0.716 121.232 120.570 -0.089 0.000 2.329 663 I HA 0.089 4.259 4.170 0.000 0.000 0.295 663 I C -0.532 175.551 176.117 -0.056 0.000 1.109 663 I CA 0.015 61.276 61.300 -0.064 0.000 1.297 663 I CB 0.235 38.188 38.000 -0.078 0.000 1.433 663 I HN 0.215 nan 8.210 nan 0.000 0.509 664 F N 6.207 126.084 119.950 -0.123 0.000 2.406 664 F HA 0.190 4.717 4.527 0.000 0.000 0.358 664 F C 1.373 177.152 175.800 -0.036 0.000 1.161 664 F CA -0.247 57.689 58.000 -0.106 0.000 1.185 664 F CB 0.406 39.359 39.000 -0.078 0.000 1.421 664 F HN 0.598 nan 8.300 nan 0.000 0.576 665 C N 1.441 120.659 119.300 -0.135 0.000 2.411 665 C HA -0.241 4.220 4.460 0.000 0.000 0.279 665 C C 2.699 177.686 174.990 -0.004 0.000 1.288 665 C CA 1.685 60.662 59.018 -0.068 0.000 1.764 665 C CB -1.915 25.773 27.740 -0.087 0.000 1.974 665 C HN 0.892 nan 8.230 nan 0.000 0.498 666 H N 1.803 120.786 119.070 -0.145 0.000 2.561 666 H HA -0.020 4.536 4.556 0.000 0.000 0.278 666 H C 1.430 176.470 175.328 -0.480 0.000 1.014 666 H CA 1.174 57.123 56.048 -0.165 0.000 1.211 666 H CB -0.463 29.299 29.762 -0.001 0.000 1.365 666 H HN 0.667 nan 8.280 nan 0.000 0.594 667 N N -0.183 118.285 118.700 -0.386 0.000 2.205 667 N HA -0.040 4.700 4.740 0.000 0.000 0.201 667 N C 0.704 175.942 175.510 -0.454 0.000 1.128 667 N CA 0.039 52.588 53.050 -0.835 0.000 0.867 667 N CB -0.067 38.166 38.487 -0.424 0.000 0.996 667 N HN 0.176 nan 8.380 nan 0.000 0.503 668 N N 1.438 119.985 118.700 -0.256 0.000 2.106 668 N HA 0.011 4.751 4.740 0.000 0.000 0.188 668 N C -1.133 174.329 175.510 -0.080 0.000 1.029 668 N CA 0.934 53.895 53.050 -0.149 0.000 0.848 668 N CB -1.235 37.189 38.487 -0.105 0.000 1.007 668 N HN 0.279 nan 8.380 nan 0.000 0.423 669 P HA -0.099 nan 4.420 nan 0.000 0.221 669 P C 0.780 178.179 177.300 0.165 0.000 1.145 669 P CA 0.855 64.006 63.100 0.085 0.000 0.795 669 P CB -0.059 31.743 31.700 0.171 0.000 0.775 670 W N -0.696 120.544 121.300 -0.100 0.000 2.355 670 W HA -0.072 4.588 4.660 0.000 0.000 0.309 670 W C 2.153 178.641 176.519 -0.052 0.000 1.206 670 W CA 0.455 57.718 57.345 -0.136 0.000 1.284 670 W CB -1.780 27.604 29.460 -0.128 0.000 1.145 670 W HN -0.178 nan 8.180 nan 0.000 0.502 671 V N 0.819 120.865 119.914 0.220 0.000 2.343 671 V HA -0.306 3.815 4.120 0.000 0.000 0.247 671 V C 2.172 178.404 176.094 0.231 0.000 1.051 671 V CA 1.689 64.095 62.300 0.178 0.000 1.036 671 V CB -1.035 30.828 31.823 0.068 0.000 0.654 671 V HN 0.043 nan 8.190 nan 0.000 0.451 672 I N -0.178 120.539 120.570 0.245 0.000 2.118 672 I HA -0.312 3.858 4.170 0.000 0.000 0.241 672 I C 2.309 178.522 176.117 0.160 0.000 1.070 672 I CA 2.064 63.523 61.300 0.266 0.000 1.327 672 I CB -0.413 37.750 38.000 0.271 0.000 1.034 672 I HN 0.221 nan 8.210 nan 0.000 0.405 673 I N 0.510 121.133 120.570 0.088 0.000 2.179 673 I HA -0.291 3.879 4.170 0.000 0.000 0.242 673 I C 2.865 178.940 176.117 -0.071 0.000 1.088 673 I CA 1.273 62.520 61.300 -0.088 0.000 1.357 673 I CB -0.699 37.126 38.000 -0.292 0.000 1.051 673 I HN 0.221 nan 8.210 nan 0.000 0.409 674 A N 0.738 123.547 122.820 -0.018 0.000 1.884 674 A HA -0.274 4.046 4.320 0.000 0.000 0.219 674 A C 2.246 179.870 177.584 0.066 0.000 1.197 674 A CA 1.972 54.019 52.037 0.017 0.000 0.637 674 A CB -0.621 18.424 19.000 0.074 0.000 0.827 674 A HN 0.396 nan 8.150 nan 0.000 0.450 675 E N -0.654 119.615 120.200 0.114 0.000 2.110 675 E HA -0.158 4.193 4.350 0.000 0.000 0.193 675 E C 2.383 179.031 176.600 0.081 0.000 0.988 675 E CA 1.867 58.335 56.400 0.113 0.000 0.804 675 E CB -0.725 29.056 29.700 0.136 0.000 0.745 675 E HN 0.885 nan 8.360 nan 0.000 0.458 676 T N -1.234 113.370 114.554 0.083 0.000 2.812 676 T HA -0.073 4.277 4.350 0.000 0.000 0.264 676 T C 2.191 176.940 174.700 0.082 0.000 1.042 676 T CA 1.183 63.337 62.100 0.090 0.000 1.140 676 T CB -0.693 68.259 68.868 0.139 0.000 0.870 676 T HN -0.051 nan 8.240 nan 0.000 0.445 677 V N 1.235 121.185 119.914 0.059 0.000 2.453 677 V HA -0.110 4.010 4.120 0.000 0.000 0.252 677 V C 2.737 178.858 176.094 0.045 0.000 1.068 677 V CA 1.543 63.871 62.300 0.048 0.000 1.070 677 V CB -0.546 31.277 31.823 -0.001 0.000 0.664 677 V HN 0.464 nan 8.190 nan 0.000 0.461 678 V N -0.503 119.441 119.914 0.049 0.000 3.608 678 V HA 0.362 4.482 4.120 0.000 0.000 0.269 678 V C 1.619 177.739 176.094 0.044 0.000 1.245 678 V CA 1.139 63.468 62.300 0.048 0.000 1.138 678 V CB 0.087 31.948 31.823 0.062 0.000 0.841 678 V HN 0.748 nan 8.190 nan 0.000 0.451 679 G N 1.277 110.104 108.800 0.046 0.000 2.131 679 G HA2 -0.231 3.729 3.960 0.000 0.000 0.223 679 G HA3 -0.231 3.729 3.960 0.000 0.000 0.223 679 G C 0.300 175.221 174.900 0.034 0.000 0.990 679 G CA -0.212 44.911 45.100 0.038 0.000 0.671 679 G HN 0.463 nan 8.290 nan 0.000 0.521 680 R N 0.660 121.183 120.500 0.038 0.000 3.256 680 R HA 0.406 4.746 4.340 0.000 0.000 0.263 680 R C 1.819 178.133 176.300 0.023 0.000 1.388 680 R CA 0.161 56.277 56.100 0.025 0.000 1.580 680 R CB 0.489 30.803 30.300 0.023 0.000 1.255 680 R HN 0.251 nan 8.270 nan 0.000 0.640 681 G N 0.940 109.758 108.800 0.029 0.000 2.422 681 G HA2 -0.300 3.660 3.960 0.000 0.000 0.218 681 G HA3 -0.300 3.660 3.960 0.000 0.000 0.218 681 G C 1.433 176.365 174.900 0.052 0.000 1.146 681 G CA 0.891 46.014 45.100 0.038 0.000 0.769 681 G HN 0.509 nan 8.290 nan 0.000 0.547 682 A N 0.320 123.161 122.820 0.036 0.000 1.908 682 A HA -0.152 4.168 4.320 0.000 0.000 0.218 682 A C 2.282 179.863 177.584 -0.005 0.000 1.181 682 A CA 2.195 54.263 52.037 0.051 0.000 0.627 682 A CB -0.490 18.525 19.000 0.025 0.000 0.818 682 A HN 0.474 nan 8.150 nan 0.000 0.445 683 Q N -0.882 118.865 119.800 -0.088 0.000 2.049 683 Q HA 0.018 4.358 4.340 0.000 0.000 0.198 683 Q C 2.216 177.982 176.000 -0.389 0.000 0.971 683 Q CA 1.406 57.036 55.803 -0.288 0.000 0.833 683 Q CB -0.380 28.192 28.738 -0.278 0.000 0.896 683 Q HN 0.585 nan 8.270 nan 0.000 0.434 684 A N 0.496 123.243 122.820 -0.122 0.000 1.884 684 A HA -0.245 4.076 4.320 0.000 0.000 0.219 684 A C 1.907 179.579 177.584 0.146 0.000 1.197 684 A CA 1.686 53.753 52.037 0.050 0.000 0.637 684 A CB -1.190 17.879 19.000 0.114 0.000 0.827 684 A HN 0.629 nan 8.150 nan 0.000 0.450 685 F N 1.258 121.189 119.950 -0.032 0.000 2.171 685 F HA -0.146 4.381 4.527 0.000 0.000 0.300 685 F C 1.888 177.699 175.800 0.018 0.000 1.090 685 F CA 1.736 59.738 58.000 0.004 0.000 1.293 685 F CB -0.544 38.433 39.000 -0.038 0.000 1.013 685 F HN 0.406 nan 8.300 nan 0.000 0.486 686 D N -0.505 119.802 120.400 -0.154 0.000 2.106 686 D HA -0.280 4.360 4.640 0.000 0.000 0.191 686 D C 2.252 178.484 176.300 -0.113 0.000 0.997 686 D CA 1.949 55.800 54.000 -0.248 0.000 0.834 686 D CB -0.624 40.028 40.800 -0.246 0.000 0.956 686 D HN 0.291 nan 8.370 nan 0.000 0.448 687 Y N -0.293 119.977 120.300 -0.049 0.000 2.128 687 Y HA -0.179 4.371 4.550 0.000 0.000 0.284 687 Y C 2.416 178.301 175.900 -0.026 0.000 1.154 687 Y CA 0.926 59.011 58.100 -0.026 0.000 1.149 687 Y CB -1.660 36.820 38.460 0.034 0.000 0.976 687 Y HN 0.168 nan 8.280 nan 0.000 0.505 688 Y N 1.232 121.573 120.300 0.069 0.000 2.102 688 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 688 Y C 2.180 177.995 175.900 -0.142 0.000 1.178 688 Y CA 2.099 60.205 58.100 0.009 0.000 1.146 688 Y CB -0.377 38.112 38.460 0.050 0.000 0.968 688 Y HN 0.033 nan 8.280 nan 0.000 0.504 689 K N -0.220 119.893 120.400 -0.478 0.000 2.148 689 K HA -0.120 4.200 4.320 0.000 0.000 0.204 689 K C 2.142 178.499 176.600 -0.405 0.000 1.050 689 K CA 1.248 57.050 56.287 -0.809 0.000 0.942 689 K CB -0.145 31.724 32.500 -1.051 0.000 0.724 689 K HN 0.381 nan 8.250 nan 0.000 0.446 690 R N 0.828 121.193 120.500 -0.225 0.000 2.115 690 R HA -0.068 4.272 4.340 0.000 0.000 0.230 690 R C 2.120 178.376 176.300 -0.074 0.000 1.111 690 R CA 1.286 57.317 56.100 -0.114 0.000 0.976 690 R CB -0.220 30.055 30.300 -0.042 0.000 0.870 690 R HN 0.350 nan 8.270 nan 0.000 0.445 691 I N -3.160 117.361 120.570 -0.082 0.000 4.025 691 I HA 0.245 4.415 4.170 0.000 0.000 0.336 691 I C -0.298 175.798 176.117 -0.035 0.000 1.390 691 I CA -0.254 61.038 61.300 -0.013 0.000 1.099 691 I CB 0.957 38.986 38.000 0.049 0.000 1.049 691 I HN -0.276 nan 8.210 nan 0.000 0.394 692 T N 3.702 118.153 114.554 -0.171 0.000 2.806 692 T HA 0.300 4.650 4.350 0.000 0.000 0.290 692 T C -1.692 172.796 174.700 -0.354 0.000 0.966 692 T CA -0.893 61.023 62.100 -0.308 0.000 1.060 692 T CB 1.737 70.373 68.868 -0.386 0.000 0.927 692 T HN -0.033 nan 8.240 nan 0.000 0.485 693 P HA -0.190 nan 4.420 nan 0.000 0.213 693 P C 1.529 178.655 177.300 -0.290 0.000 1.176 693 P CA 1.350 64.132 63.100 -0.529 0.000 0.919 693 P CB -0.024 31.321 31.700 -0.591 0.000 0.791 694 A N -1.546 121.129 122.820 -0.242 0.000 1.971 694 A HA -0.257 4.063 4.320 0.000 0.000 0.222 694 A C 2.018 179.440 177.584 -0.271 0.000 1.182 694 A CA 2.005 53.885 52.037 -0.261 0.000 0.649 694 A CB -2.020 16.675 19.000 -0.509 0.000 0.818 694 A HN 0.264 nan 8.150 nan 0.000 0.458 695 Y N -1.573 118.643 120.300 -0.139 0.000 2.517 695 Y HA 0.128 4.678 4.550 0.000 0.000 0.281 695 Y C 2.349 178.182 175.900 -0.111 0.000 1.125 695 Y CA 0.788 58.821 58.100 -0.112 0.000 1.283 695 Y CB 0.118 38.488 38.460 -0.151 0.000 1.042 695 Y HN 0.189 nan 8.280 nan 0.000 0.547 696 R N -0.000 120.472 120.500 -0.046 0.000 2.334 696 R HA 0.001 4.342 4.340 0.000 0.000 0.216 696 R C 1.779 178.016 176.300 -0.105 0.000 0.905 696 R CA 0.099 56.142 56.100 -0.095 0.000 1.064 696 R CB 0.121 30.291 30.300 -0.217 0.000 1.046 696 R HN 0.368 nan 8.270 nan 0.000 0.508 697 E N 1.432 121.584 120.200 -0.080 0.000 2.110 697 E HA -0.219 4.132 4.350 0.000 0.000 0.193 697 E C 0.640 177.266 176.600 0.042 0.000 0.988 697 E CA 1.275 57.653 56.400 -0.036 0.000 0.804 697 E CB 0.154 29.899 29.700 0.075 0.000 0.745 697 E HN 0.169 nan 8.360 nan 0.000 0.458 698 D N 0.424 120.853 120.400 0.048 0.000 2.311 698 D HA -0.138 4.502 4.640 0.000 0.000 0.212 698 D C 1.258 177.600 176.300 0.071 0.000 0.972 698 D CA 0.984 55.020 54.000 0.059 0.000 0.887 698 D CB -0.068 40.762 40.800 0.049 0.000 0.915 698 D HN 0.474 nan 8.370 nan 0.000 0.497 699 I N -2.907 117.710 120.570 0.078 0.000 3.399 699 I HA 0.299 4.469 4.170 0.000 0.000 0.345 699 I C 1.103 177.319 176.117 0.164 0.000 1.512 699 I CA -0.411 60.958 61.300 0.115 0.000 1.047 699 I CB 0.892 38.964 38.000 0.120 0.000 1.552 699 I HN -0.374 nan 8.210 nan 0.000 0.494 700 S N 2.296 118.123 115.700 0.211 0.000 2.374 700 S HA -0.222 4.248 4.470 0.000 0.000 0.227 700 S C 1.787 176.623 174.600 0.393 0.000 1.037 700 S CA 2.265 60.663 58.200 0.330 0.000 1.024 700 S CB -0.353 63.183 63.200 0.560 0.000 0.861 700 S HN 0.853 nan 8.310 nan 0.000 0.456 701 D N 0.756 121.403 120.400 0.412 0.000 2.263 701 D HA -0.094 4.546 4.640 0.000 0.000 0.208 701 D C 1.412 177.832 176.300 0.200 0.000 0.971 701 D CA 1.320 55.523 54.000 0.339 0.000 0.867 701 D CB -0.699 40.274 40.800 0.289 0.000 0.929 701 D HN 0.341 nan 8.370 nan 0.000 0.492 702 T N -0.917 113.742 114.554 0.174 0.000 3.004 702 T HA -0.045 4.306 4.350 0.000 0.000 0.243 702 T C 1.591 176.331 174.700 0.066 0.000 1.020 702 T CA 0.760 62.924 62.100 0.107 0.000 1.145 702 T CB -0.389 68.551 68.868 0.120 0.000 0.876 702 T HN 0.291 nan 8.240 nan 0.000 0.449 703 H N 1.756 120.827 119.070 0.002 0.000 2.387 703 H HA -0.054 4.502 4.556 0.000 0.000 0.299 703 H C 1.410 176.714 175.328 -0.041 0.000 1.090 703 H CA 1.775 57.783 56.048 -0.066 0.000 1.332 703 H CB 0.147 29.849 29.762 -0.100 0.000 1.386 703 H HN 0.035 nan 8.280 nan 0.000 0.516 704 K N -2.897 117.579 120.400 0.126 0.000 3.467 704 K HA -0.201 4.120 4.320 0.000 0.000 0.375 704 K C 0.244 177.049 176.600 0.341 0.000 0.589 704 K CA 1.355 57.744 56.287 0.170 0.000 1.651 704 K CB -1.732 30.797 32.500 0.048 0.000 1.135 704 K HN 0.204 nan 8.250 nan 0.000 0.459 705 L N 2.035 123.317 121.223 0.098 0.000 2.642 705 L HA 0.245 4.585 4.340 0.000 0.000 0.229 705 L C 0.543 177.142 176.870 -0.452 0.000 1.179 705 L CA 0.039 54.916 54.840 0.062 0.000 0.834 705 L CB -0.105 41.856 42.059 -0.163 0.000 1.515 705 L HN 0.038 nan 8.230 nan 0.000 0.512 706 E N 2.307 121.985 120.200 -0.870 0.000 2.558 706 E HA -0.006 4.344 4.350 0.000 0.000 0.255 706 E C -1.803 173.896 176.600 -1.503 0.000 0.968 706 E CA -0.516 54.862 56.400 -1.702 0.000 0.939 706 E CB 0.114 28.878 29.700 -1.559 0.000 0.921 706 E HN 0.276 nan 8.360 nan 0.000 0.477 707 P HA -0.031 nan 4.420 nan 0.000 0.257 707 P C -0.566 176.131 177.300 -1.005 0.000 1.325 707 P CA 0.533 62.951 63.100 -1.137 0.000 0.850 707 P CB -0.049 31.064 31.700 -0.978 0.000 1.324 708 Y N -1.536 118.144 120.300 -1.033 0.000 2.563 708 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 708 Y C 0.292 175.782 175.900 -0.682 0.000 1.126 708 Y CA -1.092 56.474 58.100 -0.889 0.000 1.231 708 Y CB -0.053 37.586 38.460 -1.368 0.000 1.288 708 Y HN -0.247 nan 8.280 nan 0.000 0.537 709 V N -3.445 115.893 119.914 -0.961 0.000 3.049 709 V HA 0.520 4.640 4.120 0.000 0.000 0.309 709 V C -0.802 174.891 176.094 -0.669 0.000 1.148 709 V CA -1.896 59.927 62.300 -0.795 0.000 0.990 709 V CB 1.130 32.184 31.823 -1.282 0.000 1.039 709 V HN 0.120 nan 8.190 nan 0.000 0.430 710 Y N 1.541 121.639 120.300 -0.337 0.000 2.578 710 Y HA 0.548 5.098 4.550 0.000 0.000 0.339 710 Y C 1.000 176.757 175.900 -0.238 0.000 1.231 710 Y CA 1.303 59.266 58.100 -0.228 0.000 1.461 710 Y CB 0.783 39.172 38.460 -0.118 0.000 1.323 710 Y HN 1.099 nan 8.280 nan 0.000 0.590 711 A N 1.911 124.719 122.820 -0.020 0.000 2.346 711 A HA 0.302 4.622 4.320 0.000 0.000 0.313 711 A C 0.757 178.217 177.584 -0.207 0.000 1.140 711 A CA -0.783 51.168 52.037 -0.144 0.000 0.826 711 A CB 1.560 20.435 19.000 -0.208 0.000 1.332 711 A HN 0.855 nan 8.150 nan 0.000 0.457 712 Q N -0.795 118.796 119.800 -0.348 0.000 2.083 712 Q HA -0.010 4.330 4.340 0.000 0.000 0.198 712 Q C 0.166 175.746 176.000 -0.701 0.000 0.969 712 Q CA 1.647 57.119 55.803 -0.552 0.000 0.838 712 Q CB -0.056 28.309 28.738 -0.621 0.000 0.900 712 Q HN 0.787 nan 8.270 nan 0.000 0.436 713 M N -0.417 118.846 119.600 -0.561 0.000 2.324 713 M HA 0.477 4.957 4.480 0.000 0.000 0.288 713 M C -1.947 174.145 176.300 -0.346 0.000 1.097 713 M CA -0.442 54.550 55.300 -0.513 0.000 0.928 713 M CB 1.980 34.236 32.600 -0.573 0.000 1.648 713 M HN -0.077 nan 8.290 nan 0.000 0.460 714 I N 3.789 124.203 120.570 -0.260 0.000 2.389 714 I HA 0.709 4.880 4.170 0.000 0.000 0.288 714 I C 0.289 176.274 176.117 -0.220 0.000 0.999 714 I CA -1.156 60.004 61.300 -0.233 0.000 1.129 714 I CB 2.003 39.908 38.000 -0.159 0.000 1.288 714 I HN 1.059 nan 8.210 nan 0.000 0.444 715 A N 4.832 127.511 122.820 -0.235 0.000 2.567 715 A HA 0.431 4.751 4.320 0.000 0.000 0.240 715 A C 0.711 178.122 177.584 -0.289 0.000 1.053 715 A CA 0.441 52.304 52.037 -0.289 0.000 0.755 715 A CB -0.145 18.694 19.000 -0.269 0.000 0.978 715 A HN 0.883 nan 8.150 nan 0.000 0.507 716 G N 0.515 109.132 108.800 -0.306 0.000 2.537 716 G HA2 0.363 4.324 3.960 0.000 0.000 0.297 716 G HA3 0.363 4.324 3.960 0.000 0.000 0.297 716 G C 0.879 175.673 174.900 -0.177 0.000 1.310 716 G CA -0.005 44.974 45.100 -0.200 0.000 1.027 716 G HN 0.910 nan 8.290 nan 0.000 0.505 717 K N -0.516 119.822 120.400 -0.104 0.000 2.107 717 K HA -0.182 4.138 4.320 0.000 0.000 0.211 717 K C 1.866 178.420 176.600 -0.077 0.000 1.049 717 K CA 2.086 58.332 56.287 -0.069 0.000 0.927 717 K CB -0.083 32.383 32.500 -0.058 0.000 0.714 717 K HN 0.602 nan 8.250 nan 0.000 0.452 718 E N -0.473 119.666 120.200 -0.102 0.000 2.489 718 E HA 0.067 4.418 4.350 0.000 0.000 0.193 718 E C -0.413 176.109 176.600 -0.129 0.000 1.057 718 E CA -0.180 56.168 56.400 -0.087 0.000 0.866 718 E CB 0.633 30.291 29.700 -0.070 0.000 0.916 718 E HN 0.299 nan 8.360 nan 0.000 0.500 719 A N 0.597 123.281 122.820 -0.227 0.000 2.324 719 A HA 0.246 4.566 4.320 0.000 0.000 0.330 719 A C 0.808 178.310 177.584 -0.137 0.000 1.165 719 A CA -0.539 51.306 52.037 -0.319 0.000 0.813 719 A CB 1.605 20.035 19.000 -0.949 0.000 1.197 719 A HN 0.081 nan 8.150 nan 0.000 0.484 720 V N 2.360 122.276 119.914 0.002 0.000 2.720 720 V HA -0.102 4.019 4.120 0.000 0.000 0.256 720 V C 1.678 177.795 176.094 0.038 0.000 1.082 720 V CA 1.905 64.229 62.300 0.040 0.000 1.101 720 V CB -0.676 31.195 31.823 0.081 0.000 0.693 720 V HN 0.831 nan 8.190 nan 0.000 0.479 721 R N 0.621 121.154 120.500 0.055 0.000 2.568 721 R HA 0.425 4.765 4.340 0.000 0.000 0.288 721 R C 0.704 176.953 176.300 -0.085 0.000 1.077 721 R CA 0.355 56.475 56.100 0.033 0.000 1.102 721 R CB 0.038 30.429 30.300 0.152 0.000 1.278 721 R HN 0.463 nan 8.270 nan 0.000 0.560 722 A N 0.725 123.471 122.820 -0.123 0.000 2.591 722 A HA 0.260 4.580 4.320 0.000 0.000 0.244 722 A C 1.412 178.821 177.584 -0.293 0.000 1.031 722 A CA 1.270 53.201 52.037 -0.177 0.000 0.767 722 A CB -0.306 18.648 19.000 -0.076 0.000 0.942 722 A HN 0.648 nan 8.150 nan 0.000 0.514 723 G N 1.784 110.247 108.800 -0.562 0.000 2.232 723 G HA2 -0.194 3.766 3.960 0.000 0.000 0.226 723 G HA3 -0.194 3.766 3.960 0.000 0.000 0.226 723 G C 0.016 174.647 174.900 -0.449 0.000 0.996 723 G CA 0.314 44.819 45.100 -0.992 0.000 0.626 723 G HN 0.879 nan 8.290 nan 0.000 0.509 724 E N 1.304 121.333 120.200 -0.285 0.000 2.194 724 E HA 0.586 4.936 4.350 0.000 0.000 0.284 724 E C 0.608 177.027 176.600 -0.302 0.000 1.035 724 E CA 0.152 56.415 56.400 -0.228 0.000 0.836 724 E CB 1.368 31.000 29.700 -0.114 0.000 1.070 724 E HN 0.626 nan 8.360 nan 0.000 0.401 725 A N 4.282 126.815 122.820 -0.479 0.000 2.286 725 A HA 0.452 4.773 4.320 0.000 0.000 0.286 725 A C -0.118 177.182 177.584 -0.472 0.000 1.097 725 A CA -0.327 51.378 52.037 -0.552 0.000 0.821 725 A CB 0.699 19.114 19.000 -0.974 0.000 1.076 725 A HN 0.550 nan 8.150 nan 0.000 0.490 726 K N 0.505 120.603 120.400 -0.504 0.000 2.512 726 K HA 0.380 4.701 4.320 0.000 0.000 0.263 726 K C -1.173 174.910 176.600 -0.862 0.000 0.966 726 K CA -1.066 54.808 56.287 -0.688 0.000 0.851 726 K CB 1.524 33.750 32.500 -0.457 0.000 1.395 726 K HN 0.691 nan 8.250 nan 0.000 0.440 727 N N 0.713 118.495 118.700 -1.530 0.000 2.699 727 N HA -0.144 4.596 4.740 0.000 0.000 0.257 727 N C -0.661 174.588 175.510 -0.434 0.000 1.077 727 N CA 0.914 53.405 53.050 -0.931 0.000 0.702 727 N CB -1.530 36.651 38.487 -0.510 0.000 0.886 727 N HN 0.738 nan 8.380 nan 0.000 0.549 728 S N -2.130 113.402 115.700 -0.280 0.000 2.603 728 S HA 0.538 5.009 4.470 0.000 0.000 0.268 728 S C 1.130 175.872 174.600 0.237 0.000 1.317 728 S CA 0.500 58.674 58.200 -0.042 0.000 1.012 728 S CB 1.477 64.686 63.200 0.014 0.000 0.926 728 S HN 0.671 nan 8.310 nan 0.000 0.539 729 W N -0.649 120.640 121.300 -0.018 0.000 0.375 729 W HA -0.238 4.422 4.660 0.000 0.000 0.214 729 W C -0.091 176.412 176.519 -0.027 0.000 0.914 729 W CA 0.724 58.084 57.345 0.024 0.000 0.327 729 W CB -1.186 28.376 29.460 0.170 0.000 1.907 729 W HN 0.599 nan 8.180 nan 0.000 1.200 730 L N 2.071 123.442 121.223 0.248 0.000 2.287 730 L HA 0.583 4.924 4.340 0.000 0.000 0.280 730 L C 0.326 177.189 176.870 -0.013 0.000 1.055 730 L CA 0.384 55.273 54.840 0.083 0.000 0.863 730 L CB 0.793 42.885 42.059 0.055 0.000 1.245 730 L HN -0.030 nan 8.230 nan 0.000 0.432 731 T N 0.039 114.578 114.554 -0.024 0.000 2.885 731 T HA 0.347 4.698 4.350 0.000 0.000 0.322 731 T C 0.927 175.624 174.700 -0.005 0.000 1.387 731 T CA 0.068 62.116 62.100 -0.085 0.000 1.041 731 T CB 1.719 70.491 68.868 -0.159 0.000 1.287 731 T HN 0.515 nan 8.240 nan 0.000 0.491 732 G N 1.241 110.075 108.800 0.056 0.000 2.625 732 G HA2 -0.017 3.943 3.960 0.000 0.000 0.214 732 G HA3 -0.017 3.943 3.960 0.000 0.000 0.214 732 G C 1.259 176.313 174.900 0.257 0.000 1.132 732 G CA 1.273 46.505 45.100 0.221 0.000 0.782 732 G HN 0.843 nan 8.290 nan 0.000 0.538 733 T N 1.474 116.100 114.554 0.119 0.000 2.778 733 T HA -0.127 4.223 4.350 0.000 0.000 0.269 733 T C 2.745 177.339 174.700 -0.176 0.000 1.050 733 T CA 1.474 63.559 62.100 -0.025 0.000 1.137 733 T CB -0.205 68.573 68.868 -0.149 0.000 0.860 733 T HN 0.406 nan 8.240 nan 0.000 0.468 734 A N 1.411 124.196 122.820 -0.058 0.000 1.854 734 A HA 0.276 4.596 4.320 0.000 0.000 0.214 734 A C 2.703 180.346 177.584 0.098 0.000 1.192 734 A CA 1.624 53.664 52.037 0.005 0.000 0.611 734 A CB -1.190 17.900 19.000 0.149 0.000 0.832 734 A HN 0.501 nan 8.150 nan 0.000 0.442 735 A N -1.489 121.391 122.820 0.101 0.000 1.908 735 A HA -0.181 4.139 4.320 0.000 0.000 0.218 735 A C 2.010 179.628 177.584 0.056 0.000 1.181 735 A CA 1.423 53.503 52.037 0.072 0.000 0.627 735 A CB -0.902 18.072 19.000 -0.044 0.000 0.818 735 A HN 0.752 nan 8.150 nan 0.000 0.445 736 W N -0.083 121.304 121.300 0.146 0.000 2.436 736 W HA -0.028 4.632 4.660 0.000 0.000 0.284 736 W C 2.267 178.856 176.519 0.116 0.000 1.225 736 W CA 0.782 58.225 57.345 0.164 0.000 1.271 736 W CB -0.065 29.470 29.460 0.124 0.000 1.114 736 W HN 0.313 nan 8.180 nan 0.000 0.559 737 N N -0.384 118.440 118.700 0.206 0.000 2.270 737 N HA -0.149 4.591 4.740 0.000 0.000 0.181 737 N C 1.505 177.170 175.510 0.259 0.000 1.016 737 N CA 1.037 54.194 53.050 0.178 0.000 0.870 737 N CB -0.549 37.867 38.487 -0.120 0.000 0.979 737 N HN 0.100 nan 8.380 nan 0.000 0.431 738 F N 1.749 121.772 119.950 0.122 0.000 2.186 738 F HA -0.092 4.436 4.527 0.000 0.000 0.299 738 F C 2.168 177.982 175.800 0.023 0.000 1.090 738 F CA 0.695 58.740 58.000 0.075 0.000 1.307 738 F CB -0.334 38.703 39.000 0.062 0.000 1.019 738 F HN -0.254 nan 8.300 nan 0.000 0.489 739 V N 0.601 120.569 119.914 0.091 0.000 2.233 739 V HA -0.352 3.768 4.120 0.000 0.000 0.247 739 V C 2.767 178.942 176.094 0.135 0.000 1.050 739 V CA 2.000 64.347 62.300 0.078 0.000 1.010 739 V CB -1.661 30.279 31.823 0.196 0.000 0.637 739 V HN 0.449 nan 8.190 nan 0.000 0.444 740 A N -0.616 122.353 122.820 0.249 0.000 1.884 740 A HA -0.246 4.074 4.320 0.000 0.000 0.219 740 A C 2.475 180.103 177.584 0.073 0.000 1.197 740 A CA 2.632 54.816 52.037 0.246 0.000 0.637 740 A CB -0.967 18.189 19.000 0.260 0.000 0.827 740 A HN 0.368 nan 8.150 nan 0.000 0.450 741 V N 0.249 120.105 119.914 -0.097 0.000 2.407 741 V HA -0.128 3.992 4.120 0.000 0.000 0.245 741 V C 2.858 178.722 176.094 -0.383 0.000 1.041 741 V CA 2.701 64.819 62.300 -0.303 0.000 1.040 741 V CB -0.244 31.347 31.823 -0.386 0.000 0.671 741 V HN 0.832 nan 8.190 nan 0.000 0.455 742 S N -0.966 114.347 115.700 -0.645 0.000 2.395 742 S HA -0.161 4.309 4.470 0.000 0.000 0.225 742 S C 1.800 176.158 174.600 -0.402 0.000 1.027 742 S CA 1.303 58.974 58.200 -0.882 0.000 0.965 742 S CB -0.253 61.789 63.200 -1.930 0.000 0.812 742 S HN 0.731 nan 8.310 nan 0.000 0.482 743 Q N -1.405 118.204 119.800 -0.319 0.000 2.396 743 Q HA 0.256 4.596 4.340 0.000 0.000 0.220 743 Q C 0.979 176.707 176.000 -0.453 0.000 0.900 743 Q CA 0.582 56.193 55.803 -0.320 0.000 0.925 743 Q CB 0.149 28.694 28.738 -0.323 0.000 1.065 743 Q HN 0.697 nan 8.270 nan 0.000 0.535 744 Y N -0.874 119.388 120.300 -0.064 0.000 2.589 744 Y HA 0.149 4.699 4.550 0.000 0.000 0.271 744 Y C 1.634 177.510 175.900 -0.040 0.000 1.107 744 Y CA -0.039 58.047 58.100 -0.023 0.000 1.273 744 Y CB 0.553 39.026 38.460 0.021 0.000 1.266 744 Y HN -0.069 nan 8.280 nan 0.000 0.504 745 L N -0.500 120.745 121.223 0.037 0.000 2.004 745 L HA -0.125 4.215 4.340 0.000 0.000 0.205 745 L C 1.962 178.759 176.870 -0.121 0.000 1.089 745 L CA 1.159 55.959 54.840 -0.067 0.000 0.756 745 L CB -0.839 41.119 42.059 -0.168 0.000 0.900 745 L HN 0.140 nan 8.230 nan 0.000 0.440 746 L N -0.104 120.997 121.223 -0.204 0.000 2.127 746 L HA -0.114 4.226 4.340 0.000 0.000 0.211 746 L C 1.526 178.419 176.870 0.037 0.000 1.089 746 L CA 1.073 55.807 54.840 -0.177 0.000 0.757 746 L CB -0.876 41.059 42.059 -0.206 0.000 0.899 746 L HN 0.694 nan 8.230 nan 0.000 0.434 747 G N -0.572 108.206 108.800 -0.037 0.000 2.141 747 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 747 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 747 G C 0.078 174.922 174.900 -0.093 0.000 0.982 747 G CA -0.030 45.029 45.100 -0.069 0.000 0.662 747 G HN 0.120 nan 8.290 nan 0.000 0.527 748 V N 2.020 121.910 119.914 -0.041 0.000 2.333 748 V HA 0.723 4.843 4.120 0.000 0.000 0.274 748 V C 0.564 176.615 176.094 -0.071 0.000 1.028 748 V CA 0.032 62.311 62.300 -0.035 0.000 0.851 748 V CB 1.013 32.852 31.823 0.026 0.000 1.000 748 V HN 0.699 nan 8.190 nan 0.000 0.456 749 R N 5.153 125.567 120.500 -0.143 0.000 2.522 749 R HA 0.554 4.894 4.340 0.000 0.000 0.283 749 R C -3.328 172.894 176.300 -0.130 0.000 1.074 749 R CA -1.801 54.202 56.100 -0.161 0.000 0.925 749 R CB 2.511 32.633 30.300 -0.296 0.000 1.205 749 R HN 0.354 nan 8.270 nan 0.000 0.436 750 P HA 0.108 nan 4.420 nan 0.000 0.276 750 P C -1.036 176.213 177.300 -0.085 0.000 1.243 750 P CA 0.153 63.242 63.100 -0.019 0.000 0.768 750 P CB 1.074 32.780 31.700 0.011 0.000 0.856 751 D N 1.307 121.660 120.400 -0.079 0.000 2.569 751 D HA 0.187 4.827 4.640 0.000 0.000 0.266 751 D C 1.095 177.365 176.300 -0.050 0.000 1.164 751 D CA -0.729 53.183 54.000 -0.147 0.000 1.071 751 D CB 0.664 41.409 40.800 -0.091 0.000 1.183 751 D HN 0.193 nan 8.370 nan 0.000 0.613 752 Y N 0.095 120.494 120.300 0.165 0.000 2.242 752 Y HA -0.002 4.548 4.550 0.000 0.000 0.291 752 Y C 0.868 176.979 175.900 0.351 0.000 1.137 752 Y CA 0.978 59.249 58.100 0.287 0.000 1.181 752 Y CB 0.193 38.868 38.460 0.358 0.000 0.989 752 Y HN 0.227 nan 8.280 nan 0.000 0.527 753 D N -0.516 120.067 120.400 0.305 0.000 3.010 753 D HA 0.476 5.116 4.640 0.000 0.000 0.347 753 D C -0.098 176.080 176.300 -0.204 0.000 1.340 753 D CA 0.267 54.366 54.000 0.164 0.000 0.858 753 D CB 0.487 41.367 40.800 0.134 0.000 1.111 753 D HN 0.341 nan 8.370 nan 0.000 0.482 754 G N 0.218 108.489 108.800 -0.882 0.000 2.357 754 G HA2 0.096 4.056 3.960 0.000 0.000 0.643 754 G HA3 0.096 4.056 3.960 0.000 0.000 0.643 754 G C -1.933 172.338 174.900 -1.049 0.000 1.358 754 G CA -1.224 43.056 45.100 -1.366 0.000 0.986 754 G HN 0.164 nan 8.290 nan 0.000 0.620 755 L N 1.094 121.846 121.223 -0.784 0.000 2.272 755 L HA 0.756 5.096 4.340 0.000 0.000 0.289 755 L C 0.554 177.243 176.870 -0.302 0.000 1.032 755 L CA -0.844 53.723 54.840 -0.455 0.000 0.810 755 L CB 1.437 43.170 42.059 -0.543 0.000 1.205 755 L HN 1.450 nan 8.230 nan 0.000 0.422 756 V N 6.368 126.150 119.914 -0.221 0.000 2.498 756 V HA 0.563 4.683 4.120 0.000 0.000 0.279 756 V C -0.719 175.287 176.094 -0.147 0.000 1.048 756 V CA -0.245 61.955 62.300 -0.167 0.000 0.967 756 V CB 1.607 33.349 31.823 -0.136 0.000 0.988 756 V HN 0.526 nan 8.190 nan 0.000 0.473 757 V N 6.096 125.942 119.914 -0.114 0.000 2.284 757 V HA 0.467 4.588 4.120 0.000 0.000 0.274 757 V C -0.393 175.663 176.094 -0.063 0.000 1.023 757 V CA -0.097 62.152 62.300 -0.085 0.000 0.808 757 V CB 0.923 32.702 31.823 -0.073 0.000 1.035 757 V HN 1.052 nan 8.190 nan 0.000 0.445 758 D N 5.519 125.883 120.400 -0.060 0.000 2.656 758 D HA 0.368 5.008 4.640 0.000 0.000 0.303 758 D C -2.739 173.555 176.300 -0.010 0.000 1.199 758 D CA -1.553 52.425 54.000 -0.037 0.000 0.797 758 D CB 1.460 42.233 40.800 -0.044 0.000 1.170 758 D HN 0.253 nan 8.370 nan 0.000 0.509 759 P HA 0.129 nan 4.420 nan 0.000 0.264 759 P C -0.776 176.550 177.300 0.042 0.000 1.179 759 P CA 0.223 63.362 63.100 0.065 0.000 0.763 759 P CB 0.559 32.317 31.700 0.097 0.000 0.806 760 Q N 2.541 122.362 119.800 0.035 0.000 3.891 760 Q HA 0.380 4.720 4.340 0.000 0.000 0.190 760 Q C -0.885 175.117 176.000 0.003 0.000 0.886 760 Q CA 0.146 55.967 55.803 0.031 0.000 0.747 760 Q CB -0.306 28.467 28.738 0.059 0.000 1.476 760 Q HN 0.440 nan 8.270 nan 0.000 0.452 761 I N -0.059 120.487 120.570 -0.040 0.000 4.557 761 I HA 0.516 4.686 4.170 0.000 0.000 0.333 761 I C 0.674 176.718 176.117 -0.123 0.000 1.332 761 I CA 0.622 61.832 61.300 -0.151 0.000 1.240 761 I CB 0.523 38.312 38.000 -0.352 0.000 1.312 761 I HN 0.669 nan 8.210 nan 0.000 0.457 762 G N 2.412 111.189 108.800 -0.039 0.000 2.750 762 G HA2 -0.230 3.731 3.960 0.000 0.000 0.228 762 G HA3 -0.230 3.731 3.960 0.000 0.000 0.228 762 G C -2.157 172.736 174.900 -0.011 0.000 1.367 762 G CA -0.067 45.031 45.100 -0.002 0.000 0.871 762 G HN 0.141 nan 8.290 nan 0.000 0.560 763 P HA 0.134 nan 4.420 nan 0.000 0.241 763 P C 0.552 177.875 177.300 0.039 0.000 1.191 763 P CA 1.238 64.353 63.100 0.026 0.000 0.771 763 P CB 0.131 31.850 31.700 0.032 0.000 0.929 764 D N -0.316 120.122 120.400 0.064 0.000 2.349 764 D HA 0.026 4.667 4.640 0.000 0.000 0.224 764 D C 0.362 176.703 176.300 0.069 0.000 1.029 764 D CA 0.591 54.664 54.000 0.122 0.000 0.879 764 D CB 0.150 41.124 40.800 0.291 0.000 0.906 764 D HN 0.066 nan 8.370 nan 0.000 0.528 765 V N 2.310 122.201 119.914 -0.037 0.000 2.383 765 V HA 0.120 4.240 4.120 0.000 0.000 0.261 765 V C -1.613 174.517 176.094 0.061 0.000 0.987 765 V CA -0.988 61.300 62.300 -0.021 0.000 0.853 765 V CB 1.883 33.582 31.823 -0.206 0.000 1.095 765 V HN -0.087 nan 8.190 nan 0.000 0.461 766 P HA -0.066 nan 4.420 nan 0.000 0.217 766 P C 0.547 177.868 177.300 0.035 0.000 1.150 766 P CA 1.223 64.348 63.100 0.041 0.000 0.832 766 P CB 0.408 32.127 31.700 0.031 0.000 0.787 767 S N -1.144 114.594 115.700 0.064 0.000 2.540 767 S HA 0.659 5.129 4.470 0.000 0.000 0.275 767 S C -1.049 173.626 174.600 0.125 0.000 1.123 767 S CA -0.778 57.429 58.200 0.011 0.000 0.907 767 S CB 1.639 64.827 63.200 -0.020 0.000 1.081 767 S HN 0.263 nan 8.310 nan 0.000 0.476 768 Y N -1.798 118.486 120.300 -0.028 0.000 2.656 768 Y HA 0.818 5.368 4.550 0.000 0.000 0.334 768 Y C -1.166 174.720 175.900 -0.024 0.000 1.179 768 Y CA -1.103 56.984 58.100 -0.021 0.000 1.050 768 Y CB 1.049 39.493 38.460 -0.027 0.000 1.308 768 Y HN 0.581 nan 8.280 nan 0.000 0.456 769 T N 2.288 116.936 114.554 0.156 0.000 2.847 769 T HA 0.540 4.890 4.350 0.000 0.000 0.291 769 T C -1.097 173.671 174.700 0.113 0.000 0.998 769 T CA -0.647 61.492 62.100 0.063 0.000 0.967 769 T CB 1.282 70.160 68.868 0.017 0.000 0.954 769 T HN 0.607 nan 8.240 nan 0.000 0.441 770 V N 3.805 123.767 119.914 0.080 0.000 2.439 770 V HA 0.415 4.535 4.120 0.000 0.000 0.282 770 V C 0.448 176.477 176.094 -0.109 0.000 1.039 770 V CA -0.502 61.770 62.300 -0.046 0.000 0.913 770 V CB 1.593 33.347 31.823 -0.115 0.000 0.983 770 V HN 0.947 nan 8.190 nan 0.000 0.460 771 T N 5.556 120.021 114.554 -0.149 0.000 2.770 771 T HA 0.503 4.853 4.350 0.000 0.000 0.297 771 T C -0.211 174.381 174.700 -0.180 0.000 0.997 771 T CA -0.452 61.584 62.100 -0.106 0.000 0.949 771 T CB 0.638 69.480 68.868 -0.043 0.000 0.941 771 T HN 0.538 nan 8.240 nan 0.000 0.457 772 R N 3.266 123.704 120.500 -0.105 0.000 2.451 772 R HA 0.511 4.851 4.340 0.000 0.000 0.307 772 R C -1.422 174.937 176.300 0.098 0.000 0.965 772 R CA -0.688 55.360 56.100 -0.087 0.000 0.865 772 R CB 0.543 30.746 30.300 -0.161 0.000 1.174 772 R HN 0.421 nan 8.270 nan 0.000 0.455 773 V N 3.959 123.925 119.914 0.086 0.000 2.432 773 V HA 0.716 4.836 4.120 0.000 0.000 0.271 773 V C 0.040 176.211 176.094 0.127 0.000 1.046 773 V CA -0.127 62.243 62.300 0.117 0.000 0.945 773 V CB 0.897 32.754 31.823 0.057 0.000 0.992 773 V HN 0.874 nan 8.190 nan 0.000 0.471 774 A N 5.666 128.609 122.820 0.205 0.000 2.398 774 A HA 0.769 5.089 4.320 0.000 0.000 0.301 774 A C 0.358 177.969 177.584 0.045 0.000 1.041 774 A CA -0.834 51.255 52.037 0.088 0.000 0.711 774 A CB 1.049 20.078 19.000 0.048 0.000 1.240 774 A HN 0.758 nan 8.150 nan 0.000 0.420 775 R N 1.412 121.835 120.500 -0.128 0.000 3.251 775 R HA -0.246 4.095 4.340 0.000 0.000 0.249 775 R C 1.057 177.329 176.300 -0.047 0.000 0.949 775 R CA 1.300 57.299 56.100 -0.168 0.000 0.645 775 R CB -2.303 27.777 30.300 -0.366 0.000 1.065 775 R HN 2.566 nan 8.270 nan 0.000 0.452 776 G N -2.188 106.599 108.800 -0.022 0.000 2.212 776 G HA2 -0.308 3.652 3.960 0.000 0.000 0.266 776 G HA3 -0.308 3.652 3.960 0.000 0.000 0.266 776 G C 0.246 175.143 174.900 -0.006 0.000 0.978 776 G CA 0.625 45.717 45.100 -0.013 0.000 0.632 776 G HN 1.118 nan 8.290 nan 0.000 0.537 777 A N -0.552 122.283 122.820 0.026 0.000 2.356 777 A HA 0.858 5.178 4.320 0.000 0.000 0.323 777 A C 0.043 177.591 177.584 -0.061 0.000 1.119 777 A CA 0.417 52.418 52.037 -0.060 0.000 0.790 777 A CB 1.363 20.286 19.000 -0.128 0.000 1.273 777 A HN 0.670 nan 8.150 nan 0.000 0.452 778 T N 1.927 116.373 114.554 -0.180 0.000 2.756 778 T HA 0.484 4.835 4.350 0.000 0.000 0.290 778 T C -1.212 173.337 174.700 -0.251 0.000 0.985 778 T CA 0.361 62.396 62.100 -0.108 0.000 0.955 778 T CB -0.114 68.713 68.868 -0.068 0.000 0.930 778 T HN 0.370 nan 8.240 nan 0.000 0.451 779 Y N 1.959 122.244 120.300 -0.025 0.000 2.335 779 Y HA 0.357 4.907 4.550 0.000 0.000 0.339 779 Y C 0.842 176.708 175.900 -0.056 0.000 0.987 779 Y CA -0.921 57.159 58.100 -0.033 0.000 1.140 779 Y CB 0.977 39.421 38.460 -0.027 0.000 1.173 779 Y HN 0.413 nan 8.280 nan 0.000 0.486 780 E N 5.027 125.252 120.200 0.042 0.000 2.073 780 E HA 0.342 4.693 4.350 0.000 0.000 0.269 780 E C -0.944 175.658 176.600 0.002 0.000 0.917 780 E CA -0.330 56.073 56.400 0.004 0.000 0.757 780 E CB 1.424 31.112 29.700 -0.020 0.000 1.111 780 E HN 0.622 nan 8.360 nan 0.000 0.410 781 I N 2.427 122.989 120.570 -0.013 0.000 2.359 781 I HA 0.146 4.316 4.170 0.000 0.000 0.284 781 I C 0.048 176.117 176.117 -0.081 0.000 1.018 781 I CA -0.295 60.984 61.300 -0.036 0.000 1.173 781 I CB 1.410 39.392 38.000 -0.031 0.000 1.326 781 I HN 0.058 nan 8.210 nan 0.000 0.462 782 T N 6.011 120.506 114.554 -0.099 0.000 2.743 782 T HA 0.427 4.778 4.350 0.000 0.000 0.292 782 T C -0.049 174.523 174.700 -0.213 0.000 0.972 782 T CA -0.418 61.601 62.100 -0.134 0.000 0.967 782 T CB 1.027 69.843 68.868 -0.086 0.000 0.926 782 T HN 0.156 nan 8.240 nan 0.000 0.459 783 V N 4.168 123.861 119.914 -0.368 0.000 2.384 783 V HA 0.468 4.588 4.120 0.000 0.000 0.287 783 V C 0.293 176.164 176.094 -0.372 0.000 1.020 783 V CA -0.804 61.197 62.300 -0.499 0.000 0.850 783 V CB 1.671 32.826 31.823 -1.113 0.000 0.987 783 V HN 0.877 nan 8.190 nan 0.000 0.436 784 T N 4.048 118.466 114.554 -0.227 0.000 2.770 784 T HA 0.410 4.760 4.350 0.000 0.000 0.283 784 T C -0.292 174.342 174.700 -0.111 0.000 0.988 784 T CA -0.400 61.616 62.100 -0.139 0.000 0.957 784 T CB 0.813 69.626 68.868 -0.091 0.000 0.930 784 T HN 0.671 nan 8.240 nan 0.000 0.443 785 N N 1.430 120.085 118.700 -0.075 0.000 2.617 785 N HA 0.213 4.954 4.740 0.000 0.000 0.263 785 N C 1.238 176.740 175.510 -0.013 0.000 1.074 785 N CA -0.453 52.574 53.050 -0.039 0.000 0.841 785 N CB 1.076 39.561 38.487 -0.003 0.000 1.221 785 N HN 0.416 nan 8.380 nan 0.000 0.529 786 S N 2.198 117.890 115.700 -0.014 0.000 2.383 786 S HA 0.005 4.475 4.470 0.000 0.000 0.229 786 S C 1.680 176.282 174.600 0.003 0.000 1.030 786 S CA 1.226 59.424 58.200 -0.004 0.000 1.002 786 S CB -0.689 62.508 63.200 -0.006 0.000 0.829 786 S HN 1.076 nan 8.310 nan 0.000 0.467 787 G N 1.283 110.085 108.800 0.003 0.000 2.205 787 G HA2 -0.140 3.820 3.960 0.000 0.000 0.261 787 G HA3 -0.140 3.820 3.960 0.000 0.000 0.261 787 G C 0.351 175.256 174.900 0.009 0.000 0.980 787 G CA 0.169 45.273 45.100 0.007 0.000 0.632 787 G HN 1.586 nan 8.290 nan 0.000 0.533 788 A N 1.907 124.731 122.820 0.007 0.000 2.591 788 A HA 0.450 4.770 4.320 0.000 0.000 0.244 788 A C -0.784 176.806 177.584 0.009 0.000 1.031 788 A CA 0.533 52.574 52.037 0.007 0.000 0.767 788 A CB -0.116 18.887 19.000 0.004 0.000 0.942 788 A HN 0.454 nan 8.150 nan 0.000 0.514 789 P HA 0.119 nan 4.420 nan 0.000 0.261 789 P C 1.054 178.362 177.300 0.013 0.000 1.183 789 P CA 1.517 64.625 63.100 0.013 0.000 0.761 789 P CB 0.521 32.229 31.700 0.013 0.000 0.785 790 G N 2.301 111.110 108.800 0.016 0.000 2.234 790 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 790 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 790 G C 0.406 175.313 174.900 0.013 0.000 0.987 790 G CA 0.138 45.248 45.100 0.016 0.000 0.625 790 G HN 0.903 nan 8.290 nan 0.000 0.532 791 A N 0.763 123.589 122.820 0.010 0.000 2.454 791 A HA 0.715 5.035 4.320 0.000 0.000 0.260 791 A C 0.780 178.366 177.584 0.005 0.000 1.106 791 A CA 0.298 52.337 52.037 0.005 0.000 0.780 791 A CB 0.264 19.265 19.000 0.002 0.000 1.044 791 A HN 0.543 nan 8.150 nan 0.000 0.498 792 R N 1.232 121.733 120.500 0.001 0.000 2.902 792 R HA 0.695 5.035 4.340 0.000 0.000 0.258 792 R C -0.115 176.179 176.300 -0.010 0.000 1.071 792 R CA -0.621 55.478 56.100 -0.000 0.000 1.024 792 R CB 1.901 32.203 30.300 0.004 0.000 1.184 792 R HN 0.775 nan 8.270 nan 0.000 0.492 793 A N 0.901 123.712 122.820 -0.015 0.000 2.340 793 A HA 0.429 4.749 4.320 0.000 0.000 0.268 793 A C -0.256 177.312 177.584 -0.027 0.000 1.100 793 A CA -0.407 51.614 52.037 -0.026 0.000 0.803 793 A CB 0.531 19.510 19.000 -0.035 0.000 1.043 793 A HN 0.703 nan 8.150 nan 0.000 0.488 794 S N 1.172 116.854 115.700 -0.030 0.000 2.503 794 S HA 0.773 5.243 4.470 0.000 0.000 0.301 794 S C -0.576 174.003 174.600 -0.035 0.000 1.087 794 S CA -0.703 57.479 58.200 -0.029 0.000 1.042 794 S CB 1.022 64.207 63.200 -0.025 0.000 1.043 794 S HN 0.567 nan 8.310 nan 0.000 0.489 795 L N 2.036 123.240 121.223 -0.033 0.000 2.330 795 L HA 0.783 5.124 4.340 0.000 0.000 0.271 795 L C 0.087 176.941 176.870 -0.027 0.000 1.013 795 L CA -0.773 54.047 54.840 -0.033 0.000 0.816 795 L CB 2.229 44.268 42.059 -0.032 0.000 1.287 795 L HN 0.939 nan 8.230 nan 0.000 0.435 796 T N -1.003 113.535 114.554 -0.026 0.000 2.876 796 T HA 0.739 5.089 4.350 0.000 0.000 0.289 796 T C -0.800 173.891 174.700 -0.015 0.000 1.014 796 T CA -0.712 61.376 62.100 -0.020 0.000 0.986 796 T CB 1.999 70.854 68.868 -0.022 0.000 1.021 796 T HN 0.226 nan 8.240 nan 0.000 0.458 797 V N 2.952 122.860 119.914 -0.010 0.000 2.443 797 V HA 0.389 4.509 4.120 0.000 0.000 0.293 797 V C -0.503 175.587 176.094 -0.007 0.000 1.021 797 V CA -0.683 61.617 62.300 -0.001 0.000 0.848 797 V CB 1.182 33.011 31.823 0.011 0.000 0.998 797 V HN 1.124 nan 8.190 nan 0.000 0.424 798 D N 4.400 124.792 120.400 -0.013 0.000 2.708 798 D HA -0.189 4.451 4.640 0.000 0.000 0.236 798 D C 1.302 177.591 176.300 -0.017 0.000 1.146 798 D CA 1.930 55.919 54.000 -0.019 0.000 0.662 798 D CB -1.031 39.756 40.800 -0.022 0.000 1.059 798 D HN 1.436 nan 8.370 nan 0.000 0.428 799 G N -1.754 107.036 108.800 -0.017 0.000 2.195 799 G HA2 -0.061 3.899 3.960 0.000 0.000 0.246 799 G HA3 -0.061 3.899 3.960 0.000 0.000 0.246 799 G C 0.331 175.222 174.900 -0.014 0.000 0.984 799 G CA 0.433 45.523 45.100 -0.016 0.000 0.633 799 G HN 1.298 nan 8.290 nan 0.000 0.525 800 A N 1.204 124.016 122.820 -0.013 0.000 2.318 800 A HA 0.838 5.158 4.320 0.000 0.000 0.317 800 A C -2.282 175.295 177.584 -0.013 0.000 1.159 800 A CA -1.435 50.595 52.037 -0.012 0.000 0.799 800 A CB 1.867 20.861 19.000 -0.010 0.000 1.194 800 A HN 0.150 nan 8.150 nan 0.000 0.479 801 P HA 0.348 nan 4.420 nan 0.000 0.271 801 P C -0.163 177.129 177.300 -0.014 0.000 1.216 801 P CA 0.097 63.188 63.100 -0.015 0.000 0.776 801 P CB 1.168 32.859 31.700 -0.015 0.000 0.881 802 V N -0.962 118.943 119.914 -0.016 0.000 3.126 802 V HA 0.600 4.720 4.120 0.000 0.000 0.314 802 V C -0.519 175.564 176.094 -0.018 0.000 1.138 802 V CA -1.001 61.290 62.300 -0.015 0.000 1.034 802 V CB 2.103 33.917 31.823 -0.016 0.000 1.075 802 V HN 0.242 nan 8.190 nan 0.000 0.442 803 D N 1.157 121.547 120.400 -0.017 0.000 2.255 803 D HA 0.609 5.249 4.640 0.000 0.000 0.249 803 D C 0.690 176.977 176.300 -0.022 0.000 1.078 803 D CA 1.687 55.676 54.000 -0.018 0.000 0.896 803 D CB 1.257 42.048 40.800 -0.015 0.000 1.194 803 D HN 1.469 nan 8.370 nan 0.000 0.429 804 G N 2.114 110.901 108.800 -0.021 0.000 2.698 804 G HA2 -0.295 3.665 3.960 0.000 0.000 0.233 804 G HA3 -0.295 3.665 3.960 0.000 0.000 0.233 804 G C 0.129 175.010 174.900 -0.032 0.000 1.352 804 G CA -0.439 44.646 45.100 -0.024 0.000 0.879 804 G HN 0.592 nan 8.290 nan 0.000 0.567 805 R N -0.357 120.120 120.500 -0.039 0.000 2.613 805 R HA 0.343 4.683 4.340 0.000 0.000 0.361 805 R C -0.156 176.100 176.300 -0.073 0.000 1.072 805 R CA 0.187 56.257 56.100 -0.050 0.000 1.089 805 R CB 0.833 31.106 30.300 -0.045 0.000 1.343 805 R HN 0.403 nan 8.270 nan 0.000 0.571 806 T N 1.119 115.627 114.554 -0.077 0.000 2.772 806 T HA 0.256 4.606 4.350 0.000 0.000 0.288 806 T C -0.177 174.454 174.700 -0.115 0.000 0.994 806 T CA -0.390 61.641 62.100 -0.115 0.000 0.951 806 T CB 2.146 70.948 68.868 -0.108 0.000 0.933 806 T HN -0.178 nan 8.240 nan 0.000 0.447 807 V N 7.293 127.119 119.914 -0.146 0.000 2.353 807 V HA 0.262 4.383 4.120 0.000 0.000 0.264 807 V C -1.885 174.110 176.094 -0.165 0.000 1.049 807 V CA -2.087 60.154 62.300 -0.098 0.000 0.896 807 V CB 0.156 31.962 31.823 -0.028 0.000 1.025 807 V HN 0.671 nan 8.190 nan 0.000 0.475 808 P HA -0.002 nan 4.420 nan 0.000 0.266 808 P C -0.686 176.604 177.300 -0.017 0.000 1.195 808 P CA -0.072 62.953 63.100 -0.124 0.000 0.768 808 P CB 0.286 31.971 31.700 -0.026 0.000 0.838 809 Y N 0.960 121.316 120.300 0.093 0.000 2.729 809 Y HA 0.172 4.722 4.550 0.000 0.000 0.331 809 Y C 1.483 177.475 175.900 0.154 0.000 1.208 809 Y CA 0.248 58.446 58.100 0.162 0.000 1.521 809 Y CB -0.752 37.777 38.460 0.115 0.000 1.233 809 Y HN 0.395 nan 8.280 nan 0.000 0.539 810 A N 6.940 129.975 122.820 0.359 0.000 2.287 810 A HA 0.524 4.844 4.320 0.000 0.000 0.273 810 A C -2.042 175.610 177.584 0.113 0.000 1.091 810 A CA -1.578 50.552 52.037 0.155 0.000 0.817 810 A CB -0.295 18.724 19.000 0.031 0.000 1.069 810 A HN 0.540 nan 8.150 nan 0.000 0.492 811 P HA 0.242 nan 4.420 nan 0.000 0.269 811 P C 0.027 177.331 177.300 0.006 0.000 1.217 811 P CA 0.224 63.342 63.100 0.031 0.000 0.783 811 P CB 0.252 31.960 31.700 0.013 0.000 0.898 812 A N 1.340 124.163 122.820 0.004 0.000 2.555 812 A HA 0.358 4.678 4.320 0.000 0.000 0.233 812 A C 1.588 179.159 177.584 -0.023 0.000 1.060 812 A CA 0.888 52.918 52.037 -0.011 0.000 0.759 812 A CB -1.397 17.598 19.000 -0.010 0.000 0.995 812 A HN 0.929 nan 8.150 nan 0.000 0.506 813 G N 1.068 109.848 108.800 -0.032 0.000 2.234 813 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 813 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 813 G C 0.589 175.454 174.900 -0.058 0.000 0.987 813 G CA 0.697 45.774 45.100 -0.038 0.000 0.625 813 G HN 1.592 nan 8.290 nan 0.000 0.532 814 S N -0.058 115.595 115.700 -0.079 0.000 2.614 814 S HA 0.636 5.106 4.470 0.000 0.000 0.265 814 S C 0.061 174.565 174.600 -0.161 0.000 1.303 814 S CA 0.287 58.422 58.200 -0.109 0.000 1.000 814 S CB 1.772 64.899 63.200 -0.121 0.000 0.935 814 S HN 0.465 nan 8.310 nan 0.000 0.551 815 T N 1.455 115.914 114.554 -0.158 0.000 2.809 815 T HA 0.515 4.865 4.350 0.000 0.000 0.284 815 T C -0.633 173.946 174.700 -0.202 0.000 0.992 815 T CA -0.574 61.418 62.100 -0.181 0.000 0.957 815 T CB 1.179 69.982 68.868 -0.108 0.000 0.942 815 T HN 0.614 nan 8.240 nan 0.000 0.439 816 V N 3.896 123.627 119.914 -0.304 0.000 2.513 816 V HA 0.694 4.814 4.120 0.000 0.000 0.299 816 V C -0.765 175.268 176.094 -0.102 0.000 1.035 816 V CA -1.002 61.172 62.300 -0.210 0.000 0.889 816 V CB 1.517 33.199 31.823 -0.235 0.000 0.988 816 V HN 0.805 nan 8.190 nan 0.000 0.440 817 R N 4.708 125.178 120.500 -0.050 0.000 2.239 817 R HA 0.579 4.919 4.340 0.000 0.000 0.332 817 R C -0.860 175.435 176.300 -0.008 0.000 0.988 817 R CA -0.435 55.649 56.100 -0.027 0.000 0.859 817 R CB 1.724 32.004 30.300 -0.033 0.000 1.148 817 R HN 0.792 nan 8.270 nan 0.000 0.482 818 V N 1.670 121.588 119.914 0.006 0.000 2.417 818 V HA 0.409 4.529 4.120 0.000 0.000 0.291 818 V C -0.687 175.390 176.094 -0.029 0.000 1.024 818 V CA -0.634 61.667 62.300 0.002 0.000 0.861 818 V CB 1.810 33.651 31.823 0.029 0.000 0.985 818 V HN 0.649 nan 8.190 nan 0.000 0.436 819 E N 4.295 124.473 120.200 -0.036 0.000 2.175 819 E HA 0.687 5.037 4.350 0.000 0.000 0.278 819 E C -1.269 175.294 176.600 -0.061 0.000 0.969 819 E CA -0.341 56.027 56.400 -0.053 0.000 0.796 819 E CB 1.922 31.596 29.700 -0.044 0.000 1.104 819 E HN 0.744 nan 8.360 nan 0.000 0.395 820 V N 3.996 123.858 119.914 -0.087 0.000 2.531 820 V HA 0.519 4.639 4.120 0.000 0.000 0.301 820 V C -0.675 175.359 176.094 -0.100 0.000 1.034 820 V CA -0.767 61.476 62.300 -0.095 0.000 0.865 820 V CB 2.195 33.942 31.823 -0.128 0.000 0.995 820 V HN 0.790 nan 8.190 nan 0.000 0.424 821 T N 4.027 118.537 114.554 -0.074 0.000 2.841 821 T HA 0.751 5.101 4.350 0.000 0.000 0.285 821 T C -0.356 174.313 174.700 -0.052 0.000 0.991 821 T CA -0.446 61.615 62.100 -0.064 0.000 0.966 821 T CB 1.821 70.660 68.868 -0.048 0.000 0.962 821 T HN 0.357 nan 8.240 nan 0.000 0.438 822 V N 0.000 119.884 119.914 -0.051 0.000 2.409 822 V HA 0.000 4.120 4.120 0.000 0.000 0.244 822 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 822 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 822 V HN 0.000 nan 8.190 nan 0.000 0.556