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 3be0_1_A DATA FIRST_RESID 8 DATA SEQUENCE TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG DATA SEQUENCE YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK DATA SEQUENCE PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL DATA SEQUENCE GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DATA SEQUENCE DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDATARFL SSVFWRLAWD DATA SEQUENCE IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT DATA SEQUENCE AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA DATA SEQUENCE RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.748 174.700 0.080 0.000 1.109 8 T CA 0.000 62.134 62.100 0.056 0.000 1.349 8 T CB 0.000 68.895 68.868 0.046 0.000 0.612 9 S N 0.518 116.281 115.700 0.105 0.000 2.651 9 S HA 0.763 5.635 4.470 0.670 0.000 0.291 9 S C 1.026 175.723 174.600 0.162 0.000 1.141 9 S CA -1.127 57.175 58.200 0.169 0.000 1.027 9 S CB 1.530 64.864 63.200 0.222 0.000 1.043 9 S HN 0.324 nan 8.310 nan 0.000 0.530 10 L N -0.124 121.190 121.223 0.152 0.000 2.446 10 L HA 0.177 4.919 4.340 0.670 0.000 0.219 10 L C 1.489 178.340 176.870 -0.031 0.000 1.116 10 L CA 0.497 55.368 54.840 0.051 0.000 0.844 10 L CB -0.454 41.591 42.059 -0.023 0.000 0.970 10 L HN 0.648 nan 8.230 nan 0.000 0.457 11 F N -0.209 119.715 119.950 -0.043 0.000 2.216 11 F HA -0.230 4.700 4.527 0.671 0.000 0.300 11 F C 2.776 178.521 175.800 -0.092 0.000 1.085 11 F CA 1.585 59.522 58.000 -0.105 0.000 1.326 11 F CB -1.095 37.850 39.000 -0.091 0.000 1.027 11 F HN 0.024 nan 8.300 nan 0.000 0.497 12 T N -0.572 114.075 114.554 0.155 0.000 2.653 12 T HA -0.268 4.484 4.350 0.670 0.000 0.267 12 T C 1.496 176.203 174.700 0.011 0.000 1.037 12 T CA 2.345 64.493 62.100 0.080 0.000 1.159 12 T CB -0.509 68.405 68.868 0.077 0.000 0.859 12 T HN 0.361 nan 8.240 nan 0.000 0.449 13 T N -1.158 113.404 114.554 0.014 0.000 3.380 13 T HA 0.753 5.505 4.350 0.670 0.000 0.289 13 T C -0.026 174.695 174.700 0.035 0.000 1.012 13 T CA 0.001 62.097 62.100 -0.007 0.000 0.944 13 T CB 0.266 69.127 68.868 -0.012 0.000 1.172 13 T HN 0.453 nan 8.240 nan 0.000 0.502 14 A N 1.454 124.292 122.820 0.030 0.000 2.492 14 A HA 0.499 5.221 4.320 0.670 0.000 0.254 14 A C 0.047 177.808 177.584 0.295 0.000 1.091 14 A CA -0.103 51.993 52.037 0.099 0.000 0.768 14 A CB 0.098 18.974 19.000 -0.207 0.000 1.028 14 A HN 0.529 nan 8.150 nan 0.000 0.498 15 D N 0.807 121.494 120.400 0.479 0.000 2.936 15 D HA 0.162 5.204 4.640 0.670 0.000 0.238 15 D C 0.608 177.323 176.300 0.691 0.000 1.248 15 D CA -0.354 53.933 54.000 0.477 0.000 0.903 15 D CB 0.882 41.779 40.800 0.160 0.000 1.544 15 D HN 0.699 nan 8.370 nan 0.000 0.543 16 H N 2.412 121.872 119.070 0.650 0.000 2.548 16 H HA -0.007 4.950 4.556 0.669 0.000 0.268 16 H C 0.285 175.804 175.328 0.319 0.000 0.975 16 H CA 0.444 56.708 56.048 0.361 0.000 1.195 16 H CB 0.144 29.944 29.762 0.062 0.000 1.397 16 H HN 0.371 nan 8.280 nan 0.000 0.572 17 Y N 1.162 121.344 120.300 -0.197 0.000 2.462 17 Y HA 0.161 5.114 4.550 0.673 0.000 0.261 17 Y C 0.320 176.035 175.900 -0.308 0.000 1.146 17 Y CA -0.097 57.873 58.100 -0.217 0.000 1.283 17 Y CB 0.463 38.785 38.460 -0.229 0.000 1.090 17 Y HN 0.312 nan 8.280 nan 0.000 0.526 18 H N -0.130 119.041 119.070 0.168 0.000 2.651 18 H HA 0.267 5.226 4.556 0.671 0.000 0.252 18 H C -0.416 174.975 175.328 0.106 0.000 1.365 18 H CA -0.187 55.921 56.048 0.100 0.000 1.539 18 H CB 0.663 30.448 29.762 0.038 0.000 1.621 18 H HN 0.012 nan 8.280 nan 0.000 0.526 19 T N 0.453 115.114 114.554 0.179 0.000 2.797 19 T HA 0.367 5.120 4.350 0.670 0.000 0.279 19 T C -2.590 172.018 174.700 -0.153 0.000 0.991 19 T CA -2.146 60.013 62.100 0.097 0.000 0.979 19 T CB 2.394 71.468 68.868 0.342 0.000 0.943 19 T HN 0.152 nan 8.240 nan 0.000 0.444 20 P HA 0.194 nan 4.420 nan 0.000 0.267 20 P C -0.637 176.484 177.300 -0.298 0.000 1.205 20 P CA -0.353 62.526 63.100 -0.368 0.000 0.765 20 P CB 0.627 32.021 31.700 -0.510 0.000 0.828 21 L N 2.836 123.922 121.223 -0.229 0.000 2.275 21 L HA 0.465 5.207 4.340 0.670 0.000 0.288 21 L C 1.483 178.242 176.870 -0.185 0.000 1.046 21 L CA -0.626 54.059 54.840 -0.259 0.000 0.805 21 L CB 1.188 43.106 42.059 -0.235 0.000 1.193 21 L HN 0.434 nan 8.230 nan 0.000 0.426 22 G N 2.758 111.450 108.800 -0.180 0.000 2.553 22 G HA2 0.245 4.607 3.960 0.670 0.000 0.278 22 G HA3 0.245 4.607 3.960 0.670 0.000 0.278 22 G C -1.366 173.486 174.900 -0.080 0.000 1.349 22 G CA -0.599 44.440 45.100 -0.101 0.000 1.037 22 G HN 0.532 nan 8.290 nan 0.000 0.508 23 P HA -0.073 nan 4.420 nan 0.000 0.217 23 P C 1.148 178.442 177.300 -0.010 0.000 1.151 23 P CA 1.506 64.590 63.100 -0.027 0.000 0.828 23 P CB -0.039 31.648 31.700 -0.021 0.000 0.788 24 D N -0.334 120.068 120.400 0.003 0.000 2.315 24 D HA -0.152 4.890 4.640 0.670 0.000 0.211 24 D C 1.581 177.944 176.300 0.104 0.000 0.977 24 D CA 1.685 55.730 54.000 0.076 0.000 0.894 24 D CB -0.832 40.047 40.800 0.131 0.000 0.910 24 D HN 0.348 nan 8.370 nan 0.000 0.490 25 G N 0.174 108.947 108.800 -0.046 0.000 2.284 25 G HA2 -0.272 4.090 3.960 0.670 0.000 0.230 25 G HA3 -0.272 4.090 3.960 0.670 0.000 0.230 25 G C 0.550 175.219 174.900 -0.385 0.000 1.021 25 G CA 0.640 45.653 45.100 -0.145 0.000 0.619 25 G HN 0.857 nan 8.290 nan 0.000 0.510 26 T N -0.356 113.917 114.554 -0.469 0.000 2.928 26 T HA 0.693 5.445 4.350 0.670 0.000 0.284 26 T C -1.770 172.421 174.700 -0.847 0.000 1.008 26 T CA -1.129 60.405 62.100 -0.943 0.000 1.057 26 T CB 2.748 71.082 68.868 -0.890 0.000 1.018 26 T HN 0.097 nan 8.240 nan 0.000 0.493 27 P HA 0.195 nan 4.420 nan 0.000 0.249 27 P C 0.279 177.021 177.300 -0.931 0.000 1.593 27 P CA 0.029 62.612 63.100 -0.863 0.000 0.896 27 P CB -0.631 30.560 31.700 -0.847 0.000 1.581 28 H N -0.353 118.390 119.070 -0.545 0.000 2.497 28 H HA 0.132 5.088 4.556 0.667 0.000 0.282 28 H C 2.208 177.450 175.328 -0.143 0.000 1.003 28 H CA 0.669 56.529 56.048 -0.313 0.000 1.307 28 H CB 0.227 29.965 29.762 -0.040 0.000 1.437 28 H HN 0.187 nan 8.280 nan 0.000 0.544 29 A N 1.163 123.990 122.820 0.011 0.000 1.940 29 A HA -0.221 4.501 4.320 0.670 0.000 0.219 29 A C 1.982 179.626 177.584 0.100 0.000 1.176 29 A CA 1.350 53.420 52.037 0.055 0.000 0.631 29 A CB -0.733 18.281 19.000 0.024 0.000 0.814 29 A HN 0.419 nan 8.150 nan 0.000 0.446 30 F N 0.132 119.995 119.950 -0.145 0.000 2.060 30 F HA -0.089 4.839 4.527 0.669 0.000 0.295 30 F C 1.942 177.787 175.800 0.075 0.000 1.120 30 F CA 1.057 59.005 58.000 -0.086 0.000 1.205 30 F CB -0.829 38.066 39.000 -0.175 0.000 0.986 30 F HN 0.230 nan 8.300 nan 0.000 0.470 31 F N 1.084 121.033 119.950 -0.001 0.000 2.065 31 F HA -0.206 4.721 4.527 0.667 0.000 0.298 31 F C 2.596 178.327 175.800 -0.115 0.000 1.112 31 F CA 1.661 59.596 58.000 -0.109 0.000 1.212 31 F CB -1.648 37.359 39.000 0.013 0.000 0.975 31 F HN 0.062 nan 8.300 nan 0.000 0.476 32 E N -0.120 120.167 120.200 0.145 0.000 2.097 32 E HA -0.216 4.536 4.350 0.670 0.000 0.196 32 E C 2.318 178.941 176.600 0.038 0.000 1.000 32 E CA 1.578 58.018 56.400 0.067 0.000 0.804 32 E CB -0.328 29.415 29.700 0.072 0.000 0.740 32 E HN 0.329 nan 8.360 nan 0.000 0.454 33 A N 0.149 122.988 122.820 0.031 0.000 1.854 33 A HA -0.109 4.613 4.320 0.670 0.000 0.214 33 A C 2.089 179.642 177.584 -0.052 0.000 1.192 33 A CA 1.054 53.099 52.037 0.014 0.000 0.611 33 A CB -0.648 18.387 19.000 0.057 0.000 0.832 33 A HN 0.297 nan 8.150 nan 0.000 0.442 34 L N 0.174 121.286 121.223 -0.185 0.000 2.083 34 L HA -0.137 4.605 4.340 0.670 0.000 0.209 34 L C 2.443 179.224 176.870 -0.148 0.000 1.083 34 L CA 2.145 56.805 54.840 -0.299 0.000 0.752 34 L CB -0.688 40.978 42.059 -0.654 0.000 0.899 34 L HN 0.448 nan 8.230 nan 0.000 0.433 35 R N 0.032 120.487 120.500 -0.076 0.000 2.117 35 R HA -0.200 4.542 4.340 0.670 0.000 0.243 35 R C 1.610 177.920 176.300 0.017 0.000 1.143 35 R CA 2.077 58.169 56.100 -0.013 0.000 0.968 35 R CB -0.841 29.461 30.300 0.003 0.000 0.863 35 R HN 0.481 nan 8.270 nan 0.000 0.444 36 D N 0.612 121.021 120.400 0.014 0.000 2.077 36 D HA -0.184 4.858 4.640 0.670 0.000 0.197 36 D C 1.714 178.047 176.300 0.055 0.000 0.983 36 D CA 1.333 55.355 54.000 0.036 0.000 0.841 36 D CB -0.558 40.263 40.800 0.034 0.000 0.992 36 D HN 0.387 nan 8.370 nan 0.000 0.450 37 E N 0.590 120.826 120.200 0.060 0.000 2.236 37 E HA -0.283 4.469 4.350 0.670 0.000 0.205 37 E C 1.786 178.486 176.600 0.166 0.000 1.028 37 E CA 1.443 57.916 56.400 0.121 0.000 0.827 37 E CB -0.076 29.723 29.700 0.166 0.000 0.735 37 E HN 0.221 nan 8.360 nan 0.000 0.470 38 A N 0.561 123.482 122.820 0.168 0.000 2.067 38 A HA -0.200 4.522 4.320 0.670 0.000 0.219 38 A C 1.754 179.400 177.584 0.104 0.000 1.158 38 A CA 1.371 53.516 52.037 0.179 0.000 0.661 38 A CB -0.387 18.717 19.000 0.173 0.000 0.801 38 A HN 0.380 nan 8.150 nan 0.000 0.452 39 E N -0.746 119.504 120.200 0.083 0.000 2.077 39 E HA -0.144 4.608 4.350 0.670 0.000 0.193 39 E C 1.884 178.514 176.600 0.049 0.000 0.989 39 E CA 1.631 58.069 56.400 0.063 0.000 0.800 39 E CB -0.318 29.416 29.700 0.055 0.000 0.746 39 E HN 0.571 nan 8.360 nan 0.000 0.452 40 T N 0.265 114.849 114.554 0.050 0.000 2.684 40 T HA -0.032 4.720 4.350 0.670 0.000 0.253 40 T C 1.071 175.780 174.700 0.014 0.000 1.057 40 T CA 1.032 63.151 62.100 0.032 0.000 1.162 40 T CB 0.028 68.919 68.868 0.037 0.000 0.868 40 T HN 0.006 nan 8.240 nan 0.000 0.409 41 T N 3.559 118.119 114.554 0.010 0.000 3.262 41 T HA 0.240 4.992 4.350 0.670 0.000 0.374 41 T C -1.845 172.811 174.700 -0.074 0.000 1.504 41 T CA -1.187 60.873 62.100 -0.068 0.000 1.158 41 T CB 1.388 70.165 68.868 -0.152 0.000 1.157 41 T HN 0.225 nan 8.240 nan 0.000 0.644 42 P HA -0.003 nan 4.420 nan 0.000 0.226 42 P C 0.073 177.377 177.300 0.007 0.000 1.146 42 P CA 0.841 63.959 63.100 0.031 0.000 0.773 42 P CB 0.431 32.144 31.700 0.023 0.000 0.772 43 I N -1.640 118.838 120.570 -0.153 0.000 2.722 43 I HA 0.576 5.148 4.170 0.670 0.000 0.295 43 I C 0.012 175.834 176.117 -0.492 0.000 1.161 43 I CA -0.967 60.240 61.300 -0.153 0.000 1.032 43 I CB 2.590 40.560 38.000 -0.050 0.000 1.244 43 I HN -0.179 nan 8.210 nan 0.000 0.421 44 G N 3.384 111.912 108.800 -0.453 0.000 2.672 44 G HA2 0.417 4.779 3.960 0.670 0.000 0.292 44 G HA3 0.417 4.779 3.960 0.670 0.000 0.292 44 G C -2.341 172.647 174.900 0.147 0.000 1.375 44 G CA -0.446 44.352 45.100 -0.505 0.000 0.890 44 G HN 0.596 nan 8.290 nan 0.000 0.476 45 W N 1.793 122.979 121.300 -0.190 0.000 2.433 45 W HA 0.668 5.731 4.660 0.671 0.000 0.315 45 W C -0.674 175.673 176.519 -0.288 0.000 1.087 45 W CA -0.699 56.351 57.345 -0.491 0.000 1.205 45 W CB 1.973 30.971 29.460 -0.770 0.000 1.288 45 W HN 0.507 nan 8.180 nan 0.000 0.504 46 S N 3.325 118.352 115.700 -1.122 0.000 2.501 46 S HA 0.227 5.099 4.470 0.670 0.000 0.301 46 S C 0.492 174.579 174.600 -0.855 0.000 1.096 46 S CA -0.389 57.336 58.200 -0.792 0.000 1.063 46 S CB 1.691 64.404 63.200 -0.812 0.000 1.042 46 S HN 0.627 nan 8.310 nan 0.000 0.494 47 E N 1.832 121.844 120.200 -0.312 0.000 2.478 47 E HA 0.182 4.934 4.350 0.670 0.000 0.194 47 E C 0.557 177.098 176.600 -0.098 0.000 1.045 47 E CA -0.098 56.235 56.400 -0.112 0.000 0.868 47 E CB 0.370 30.079 29.700 0.015 0.000 0.885 47 E HN 0.683 nan 8.360 nan 0.000 0.505 48 A N 0.353 123.088 122.820 -0.142 0.000 2.388 48 A HA 0.173 4.895 4.320 0.670 0.000 0.257 48 A C -0.511 177.034 177.584 -0.065 0.000 1.095 48 A CA -0.077 51.834 52.037 -0.210 0.000 0.791 48 A CB -0.326 18.460 19.000 -0.357 0.000 1.029 48 A HN 0.418 nan 8.150 nan 0.000 0.489 49 Y N 0.358 120.688 120.300 0.049 0.000 3.091 49 Y HA -0.251 4.700 4.550 0.669 0.000 0.189 49 Y C 1.691 177.643 175.900 0.086 0.000 1.520 49 Y CA 0.675 58.779 58.100 0.007 0.000 1.121 49 Y CB -1.589 36.798 38.460 -0.122 0.000 1.411 49 Y HN 2.021 nan 8.280 nan 0.000 0.459 50 G N -1.065 107.851 108.800 0.194 0.000 2.562 50 G HA2 -0.032 4.330 3.960 0.670 0.000 0.241 50 G HA3 -0.032 4.330 3.960 0.670 0.000 0.241 50 G C 0.613 175.641 174.900 0.213 0.000 1.120 50 G CA 0.716 45.927 45.100 0.185 0.000 0.673 50 G HN 2.113 nan 8.290 nan 0.000 0.519 51 G N -1.058 107.844 108.800 0.169 0.000 2.380 51 G HA2 0.697 5.059 3.960 0.670 0.000 0.250 51 G HA3 0.697 5.059 3.960 0.670 0.000 0.250 51 G C -0.841 173.785 174.900 -0.457 0.000 1.578 51 G CA 0.445 45.501 45.100 -0.073 0.000 0.974 51 G HN 2.435 nan 8.290 nan 0.000 0.680 52 H N -1.241 117.022 119.070 -1.345 0.000 2.960 52 H HA 0.774 5.732 4.556 0.670 0.000 0.323 52 H C -1.407 173.324 175.328 -0.995 0.000 1.326 52 H CA -1.633 53.900 56.048 -0.858 0.000 1.124 52 H CB 0.848 30.556 29.762 -0.089 0.000 1.853 52 H HN 0.563 nan 8.280 nan 0.000 0.536 53 W N 1.044 122.261 121.300 -0.138 0.000 2.496 53 W HA 0.583 5.644 4.660 0.669 0.000 0.327 53 W C -0.941 175.643 176.519 0.108 0.000 1.086 53 W CA -0.879 56.463 57.345 -0.004 0.000 1.222 53 W CB 2.045 31.587 29.460 0.136 0.000 1.304 53 W HN 0.402 nan 8.180 nan 0.000 0.547 54 V N 4.246 124.375 119.914 0.359 0.000 2.378 54 V HA 0.306 4.828 4.120 0.670 0.000 0.288 54 V C -0.450 175.802 176.094 0.265 0.000 1.016 54 V CA -1.033 61.418 62.300 0.251 0.000 0.840 54 V CB 1.188 33.054 31.823 0.071 0.000 0.994 54 V HN 0.274 nan 8.190 nan 0.000 0.431 55 V N 4.602 124.627 119.914 0.185 0.000 2.294 55 V HA 0.514 5.036 4.120 0.670 0.000 0.272 55 V C 0.880 177.048 176.094 0.123 0.000 1.027 55 V CA 0.311 62.683 62.300 0.120 0.000 0.823 55 V CB 0.908 32.746 31.823 0.025 0.000 1.030 55 V HN 0.981 nan 8.190 nan 0.000 0.457 56 A N 3.605 126.516 122.820 0.152 0.000 2.229 56 A HA 0.533 5.255 4.320 0.670 0.000 0.211 56 A C 1.334 179.002 177.584 0.139 0.000 1.193 56 A CA 0.511 52.630 52.037 0.137 0.000 0.879 56 A CB 0.136 19.193 19.000 0.094 0.000 0.911 56 A HN 0.828 nan 8.150 nan 0.000 0.492 57 G N -1.700 107.175 108.800 0.125 0.000 2.442 57 G HA2 0.291 4.653 3.960 0.670 0.000 0.249 57 G HA3 0.291 4.653 3.960 0.670 0.000 0.249 57 G C 0.447 175.446 174.900 0.165 0.000 1.263 57 G CA -0.154 45.026 45.100 0.134 0.000 0.846 57 G HN 0.258 nan 8.290 nan 0.000 0.555 58 Y N 2.050 122.402 120.300 0.087 0.000 2.114 58 Y HA -0.232 4.720 4.550 0.670 0.000 0.284 58 Y C 2.854 178.790 175.900 0.060 0.000 1.143 58 Y CA 2.516 60.678 58.100 0.104 0.000 1.135 58 Y CB 0.038 38.579 38.460 0.135 0.000 0.980 58 Y HN 0.668 nan 8.280 nan 0.000 0.499 59 K N -0.722 119.694 120.400 0.026 0.000 2.152 59 K HA -0.203 4.519 4.320 0.670 0.000 0.206 59 K C 1.624 178.165 176.600 -0.099 0.000 1.048 59 K CA 1.947 58.183 56.287 -0.084 0.000 0.933 59 K CB -0.328 32.178 32.500 0.009 0.000 0.721 59 K HN 0.290 nan 8.250 nan 0.000 0.447 60 E N 1.314 121.486 120.200 -0.047 0.000 2.051 60 E HA 0.045 4.797 4.350 0.670 0.000 0.189 60 E C 2.016 178.560 176.600 -0.093 0.000 0.979 60 E CA 0.834 57.198 56.400 -0.059 0.000 0.803 60 E CB -0.112 29.573 29.700 -0.025 0.000 0.761 60 E HN 0.247 nan 8.360 nan 0.000 0.451 61 I N 0.813 121.344 120.570 -0.064 0.000 2.493 61 I HA -0.246 4.326 4.170 0.670 0.000 0.254 61 I C 2.362 178.419 176.117 -0.101 0.000 1.160 61 I CA 1.013 62.268 61.300 -0.076 0.000 1.445 61 I CB -0.129 37.878 38.000 0.012 0.000 1.086 61 I HN 0.178 nan 8.210 nan 0.000 0.433 62 Q N 0.574 120.275 119.800 -0.164 0.000 2.369 62 Q HA -0.087 4.655 4.340 0.670 0.000 0.206 62 Q C 2.082 177.989 176.000 -0.154 0.000 0.963 62 Q CA 1.049 56.729 55.803 -0.205 0.000 0.894 62 Q CB 0.167 28.656 28.738 -0.414 0.000 0.965 62 Q HN 0.548 nan 8.270 nan 0.000 0.475 63 A N -0.832 121.898 122.820 -0.149 0.000 2.081 63 A HA 0.037 4.759 4.320 0.670 0.000 0.214 63 A C 1.876 179.359 177.584 -0.169 0.000 1.158 63 A CA 0.287 52.252 52.037 -0.121 0.000 0.724 63 A CB 0.212 19.156 19.000 -0.094 0.000 0.826 63 A HN 0.225 nan 8.150 nan 0.000 0.463 64 V N 0.909 120.653 119.914 -0.284 0.000 2.331 64 V HA -0.157 4.365 4.120 0.670 0.000 0.242 64 V C 2.442 178.273 176.094 -0.438 0.000 1.034 64 V CA 1.613 63.553 62.300 -0.600 0.000 1.027 64 V CB -0.627 30.782 31.823 -0.689 0.000 0.667 64 V HN 0.741 nan 8.190 nan 0.000 0.457 65 I N -1.139 119.299 120.570 -0.220 0.000 2.530 65 I HA -0.260 4.312 4.170 0.670 0.000 0.257 65 I C 2.170 178.270 176.117 -0.029 0.000 1.179 65 I CA 1.715 62.969 61.300 -0.078 0.000 1.440 65 I CB -0.543 37.479 38.000 0.036 0.000 1.087 65 I HN 0.333 nan 8.210 nan 0.000 0.440 66 Q N 1.036 120.810 119.800 -0.043 0.000 2.250 66 Q HA 0.045 4.787 4.340 0.670 0.000 0.200 66 Q C 0.833 176.847 176.000 0.022 0.000 0.941 66 Q CA 0.353 56.152 55.803 -0.006 0.000 0.872 66 Q CB -0.117 28.614 28.738 -0.012 0.000 0.965 66 Q HN 0.531 nan 8.270 nan 0.000 0.480 67 N N 1.974 120.707 118.700 0.055 0.000 2.968 67 N HA -0.020 5.122 4.740 0.670 0.000 0.271 67 N C 0.783 176.412 175.510 0.198 0.000 1.174 67 N CA 0.173 53.304 53.050 0.135 0.000 1.096 67 N CB 0.710 39.326 38.487 0.215 0.000 1.403 67 N HN 0.182 nan 8.380 nan 0.000 0.522 68 T N -0.237 114.379 114.554 0.103 0.000 2.897 68 T HA -0.181 4.571 4.350 0.670 0.000 0.271 68 T C 1.678 176.426 174.700 0.081 0.000 1.084 68 T CA 1.059 63.213 62.100 0.090 0.000 1.123 68 T CB 0.117 68.996 68.868 0.020 0.000 0.865 68 T HN 0.402 nan 8.240 nan 0.000 0.496 69 K N 1.420 121.854 120.400 0.057 0.000 1.969 69 K HA -0.022 4.700 4.320 0.670 0.000 0.216 69 K C 2.605 179.177 176.600 -0.046 0.000 1.048 69 K CA 1.540 57.830 56.287 0.004 0.000 0.948 69 K CB -0.714 31.781 32.500 -0.008 0.000 0.726 69 K HN 0.414 nan 8.250 nan 0.000 0.442 70 A N 0.027 122.776 122.820 -0.117 0.000 2.119 70 A HA 0.058 4.780 4.320 0.670 0.000 0.217 70 A C 0.141 177.378 177.584 -0.579 0.000 1.153 70 A CA 0.601 52.397 52.037 -0.402 0.000 0.692 70 A CB -0.133 18.485 19.000 -0.637 0.000 0.799 70 A HN 0.251 nan 8.150 nan 0.000 0.458 71 F N -0.356 119.578 119.950 -0.027 0.000 2.427 71 F HA 0.499 5.429 4.527 0.671 0.000 0.348 71 F C 0.502 176.290 175.800 -0.020 0.000 1.125 71 F CA -0.668 57.315 58.000 -0.028 0.000 0.989 71 F CB 1.715 40.694 39.000 -0.035 0.000 1.165 71 F HN -0.080 nan 8.300 nan 0.000 0.442 72 S N 1.573 117.345 115.700 0.120 0.000 2.554 72 S HA 0.259 5.131 4.470 0.670 0.000 0.278 72 S C 0.731 175.363 174.600 0.052 0.000 1.242 72 S CA -0.489 57.754 58.200 0.071 0.000 1.051 72 S CB 0.710 63.930 63.200 0.033 0.000 0.986 72 S HN 0.677 nan 8.310 nan 0.000 0.502 73 N N 2.238 120.960 118.700 0.036 0.000 2.398 73 N HA 0.162 5.304 4.740 0.670 0.000 0.188 73 N C 0.968 176.453 175.510 -0.040 0.000 1.122 73 N CA 0.194 53.218 53.050 -0.044 0.000 0.866 73 N CB 0.118 38.547 38.487 -0.096 0.000 0.970 73 N HN 0.563 nan 8.380 nan 0.000 0.462 74 K N -0.750 119.651 120.400 0.000 0.000 2.585 74 K HA 0.036 4.758 4.320 0.670 0.000 0.194 74 K C 0.872 177.467 176.600 -0.008 0.000 1.037 74 K CA 0.704 56.994 56.287 0.005 0.000 0.964 74 K CB 0.168 32.680 32.500 0.020 0.000 0.787 74 K HN 0.127 nan 8.250 nan 0.000 0.488 75 G N 0.205 108.990 108.800 -0.025 0.000 4.238 75 G HA2 0.021 4.383 3.960 0.670 0.000 0.292 75 G HA3 0.021 4.383 3.960 0.670 0.000 0.292 75 G C 0.749 175.613 174.900 -0.059 0.000 1.036 75 G CA -0.399 44.687 45.100 -0.024 0.000 0.812 75 G HN 0.057 nan 8.290 nan 0.000 0.489 76 V N 1.588 121.441 119.914 -0.101 0.000 2.282 76 V HA -0.052 4.470 4.120 0.670 0.000 0.249 76 V C 1.828 177.826 176.094 -0.159 0.000 1.057 76 V CA 2.542 64.748 62.300 -0.155 0.000 1.032 76 V CB -0.223 31.471 31.823 -0.214 0.000 0.645 76 V HN 0.495 nan 8.190 nan 0.000 0.447 77 T N -1.160 113.270 114.554 -0.207 0.000 2.806 77 T HA 0.490 5.242 4.350 0.670 0.000 0.290 77 T C -0.965 173.737 174.700 0.003 0.000 0.966 77 T CA -0.414 61.502 62.100 -0.306 0.000 1.060 77 T CB 1.154 69.557 68.868 -0.775 0.000 0.927 77 T HN 0.452 nan 8.240 nan 0.000 0.485 78 F N 4.427 124.308 119.950 -0.115 0.000 2.651 78 F HA 0.487 5.415 4.527 0.669 0.000 0.329 78 F C -2.893 172.832 175.800 -0.126 0.000 1.186 78 F CA -2.256 55.681 58.000 -0.106 0.000 1.046 78 F CB 1.730 40.668 39.000 -0.103 0.000 1.296 78 F HN 0.458 nan 8.300 nan 0.000 0.497 79 P HA 0.038 nan 4.420 nan 0.000 0.263 79 P C -0.353 176.828 177.300 -0.198 0.000 1.195 79 P CA -0.078 62.653 63.100 -0.615 0.000 0.762 79 P CB 0.789 32.041 31.700 -0.746 0.000 0.799 80 R N 3.093 123.546 120.500 -0.078 0.000 2.519 80 R HA -0.198 4.544 4.340 0.670 0.000 0.265 80 R C -0.595 175.728 176.300 0.037 0.000 0.911 80 R CA 0.881 56.973 56.100 -0.014 0.000 1.087 80 R CB -0.728 29.550 30.300 -0.037 0.000 0.857 80 R HN 0.339 nan 8.270 nan 0.000 0.429 81 Y N 3.003 123.226 120.300 -0.128 0.000 2.377 81 Y HA 0.098 5.049 4.550 0.668 0.000 0.330 81 Y C 0.456 176.213 175.900 -0.239 0.000 1.108 81 Y CA -0.624 57.383 58.100 -0.155 0.000 1.308 81 Y CB 0.858 39.263 38.460 -0.092 0.000 1.216 81 Y HN 0.619 nan 8.280 nan 0.000 0.518 82 E N 1.718 121.768 120.200 -0.250 0.000 2.175 82 E HA 0.009 4.761 4.350 0.670 0.000 0.247 82 E C 0.197 176.396 176.600 -0.669 0.000 1.259 82 E CA 0.626 56.808 56.400 -0.364 0.000 0.969 82 E CB -0.325 29.179 29.700 -0.326 0.000 1.051 82 E HN 0.644 nan 8.360 nan 0.000 0.448 83 T N 1.060 115.228 114.554 -0.644 0.000 3.328 83 T HA 0.432 5.184 4.350 0.670 0.000 0.305 83 T C 1.031 175.502 174.700 -0.382 0.000 0.939 83 T CA -0.104 61.375 62.100 -1.035 0.000 0.950 83 T CB 0.054 68.679 68.868 -0.405 0.000 1.182 83 T HN 0.547 nan 8.240 nan 0.000 0.545 84 G N 2.510 111.186 108.800 -0.206 0.000 2.591 84 G HA2 -0.307 4.055 3.960 0.670 0.000 0.298 84 G HA3 -0.307 4.055 3.960 0.670 0.000 0.298 84 G C 0.037 174.945 174.900 0.013 0.000 1.195 84 G CA 0.428 45.546 45.100 0.029 0.000 0.989 84 G HN 0.568 nan 8.290 nan 0.000 0.551 85 E N 0.713 120.897 120.200 -0.025 0.000 2.598 85 E HA 0.581 5.333 4.350 0.670 0.000 0.233 85 E C -0.825 175.520 176.600 -0.425 0.000 1.173 85 E CA -0.193 56.087 56.400 -0.199 0.000 1.473 85 E CB -0.224 29.328 29.700 -0.246 0.000 1.398 85 E HN 0.298 nan 8.360 nan 0.000 0.431 86 F N 0.457 120.437 119.950 0.049 0.000 2.536 86 F HA 0.371 5.301 4.527 0.671 0.000 0.322 86 F C 0.485 176.316 175.800 0.052 0.000 1.144 86 F CA -1.014 57.036 58.000 0.082 0.000 0.924 86 F CB 1.557 40.656 39.000 0.164 0.000 1.181 86 F HN -0.180 nan 8.300 nan 0.000 0.438 87 E N 3.698 124.023 120.200 0.209 0.000 2.249 87 E HA 0.324 5.076 4.350 0.670 0.000 0.280 87 E C -0.437 176.240 176.600 0.129 0.000 1.016 87 E CA -0.607 55.874 56.400 0.136 0.000 0.830 87 E CB 1.795 31.560 29.700 0.108 0.000 1.081 87 E HN 0.585 nan 8.360 nan 0.000 0.395 88 L N 4.004 125.273 121.223 0.078 0.000 2.597 88 L HA 0.026 4.768 4.340 0.670 0.000 0.271 88 L C 0.868 177.733 176.870 -0.009 0.000 1.157 88 L CA 0.028 54.886 54.840 0.031 0.000 0.928 88 L CB -0.174 41.884 42.059 -0.003 0.000 1.216 88 L HN 0.398 nan 8.230 nan 0.000 0.481 89 M N 4.690 124.232 119.600 -0.098 0.000 2.249 89 M HA 0.016 4.898 4.480 0.670 0.000 0.340 89 M C 0.894 177.095 176.300 -0.164 0.000 1.166 89 M CA 0.842 56.017 55.300 -0.208 0.000 1.115 89 M CB 0.380 32.594 32.600 -0.643 0.000 1.606 89 M HN 0.611 nan 8.290 nan 0.000 0.448 90 M N 1.530 121.144 119.600 0.023 0.000 2.703 90 M HA -0.346 4.536 4.480 0.670 0.000 0.186 90 M C 0.316 176.803 176.300 0.313 0.000 0.582 90 M CA 1.122 56.536 55.300 0.189 0.000 0.578 90 M CB -2.279 30.250 32.600 -0.117 0.000 2.115 90 M HN 0.768 nan 8.290 nan 0.000 0.611 91 A N -1.565 121.349 122.820 0.156 0.000 2.167 91 A HA 0.626 5.348 4.320 0.670 0.000 0.184 91 A C 1.539 179.079 177.584 -0.074 0.000 1.675 91 A CA 0.413 52.448 52.037 -0.004 0.000 1.215 91 A CB 0.201 19.156 19.000 -0.075 0.000 1.427 91 A HN 0.658 nan 8.150 nan 0.000 0.457 92 G N -0.087 108.721 108.800 0.013 0.000 3.441 92 G HA2 0.415 4.777 3.960 0.670 0.000 0.263 92 G HA3 0.415 4.777 3.960 0.670 0.000 0.263 92 G C 0.084 175.022 174.900 0.064 0.000 1.014 92 G CA -0.051 45.049 45.100 -0.000 0.000 0.833 92 G HN 0.419 nan 8.290 nan 0.000 0.514 93 Q N 1.004 120.887 119.800 0.137 0.000 2.312 93 Q HA 0.430 5.172 4.340 0.670 0.000 0.263 93 Q C -1.325 174.777 176.000 0.170 0.000 0.995 93 Q CA -0.895 55.010 55.803 0.170 0.000 0.853 93 Q CB 2.178 31.067 28.738 0.251 0.000 1.300 93 Q HN 0.058 nan 8.270 nan 0.000 0.448 94 D N 0.959 121.423 120.400 0.107 0.000 2.387 94 D HA 0.209 5.251 4.640 0.670 0.000 0.255 94 D C -0.476 175.863 176.300 0.065 0.000 1.081 94 D CA -0.406 53.627 54.000 0.055 0.000 0.994 94 D CB 0.942 41.764 40.800 0.037 0.000 1.127 94 D HN 0.338 nan 8.370 nan 0.000 0.513 95 D N 0.783 121.198 120.400 0.026 0.000 2.382 95 D HA 0.050 5.092 4.640 0.670 0.000 0.240 95 D C -0.857 175.454 176.300 0.019 0.000 1.146 95 D CA -0.787 53.242 54.000 0.048 0.000 0.897 95 D CB 0.837 41.653 40.800 0.026 0.000 1.197 95 D HN 0.186 nan 8.370 nan 0.000 0.432 96 P HA -0.087 nan 4.420 nan 0.000 0.219 96 P C 1.513 178.798 177.300 -0.025 0.000 1.150 96 P CA 0.462 63.559 63.100 -0.006 0.000 0.814 96 P CB 0.323 32.008 31.700 -0.025 0.000 0.787 97 V N 1.056 120.941 119.914 -0.048 0.000 2.277 97 V HA -0.318 4.204 4.120 0.670 0.000 0.253 97 V C 2.793 178.859 176.094 -0.046 0.000 1.067 97 V CA 2.276 64.487 62.300 -0.148 0.000 1.047 97 V CB -1.580 30.206 31.823 -0.062 0.000 0.649 97 V HN 0.340 nan 8.190 nan 0.000 0.447 98 H N 0.566 119.637 119.070 0.002 0.000 2.253 98 H HA -0.203 4.754 4.556 0.669 0.000 0.299 98 H C 2.540 177.890 175.328 0.036 0.000 1.064 98 H CA 2.376 58.457 56.048 0.054 0.000 1.264 98 H CB -0.109 29.657 29.762 0.007 0.000 1.371 98 H HN 0.346 nan 8.280 nan 0.000 0.493 99 K N 0.805 121.243 120.400 0.063 0.000 2.107 99 K HA -0.208 4.514 4.320 0.670 0.000 0.211 99 K C 2.298 178.883 176.600 -0.026 0.000 1.049 99 K CA 1.916 58.202 56.287 -0.003 0.000 0.927 99 K CB 0.019 32.536 32.500 0.029 0.000 0.714 99 K HN 0.287 nan 8.250 nan 0.000 0.452 100 K N -0.619 119.768 120.400 -0.022 0.000 1.973 100 K HA -0.140 4.582 4.320 0.670 0.000 0.210 100 K C 2.255 178.903 176.600 0.081 0.000 1.045 100 K CA 1.553 57.831 56.287 -0.015 0.000 0.937 100 K CB -0.397 32.045 32.500 -0.096 0.000 0.721 100 K HN 0.094 nan 8.250 nan 0.000 0.438 101 Y N 1.467 121.802 120.300 0.058 0.000 2.139 101 Y HA -0.257 4.696 4.550 0.670 0.000 0.282 101 Y C 2.533 178.529 175.900 0.160 0.000 1.179 101 Y CA 1.417 59.606 58.100 0.147 0.000 1.161 101 Y CB -0.614 37.947 38.460 0.168 0.000 0.970 101 Y HN 0.108 nan 8.280 nan 0.000 0.511 102 R N 0.405 120.991 120.500 0.142 0.000 2.081 102 R HA -0.172 4.570 4.340 0.670 0.000 0.235 102 R C 1.921 178.276 176.300 0.093 0.000 1.131 102 R CA 1.598 57.717 56.100 0.032 0.000 0.960 102 R CB -0.303 29.864 30.300 -0.222 0.000 0.856 102 R HN 0.401 nan 8.270 nan 0.000 0.436 103 Q N 0.222 120.063 119.800 0.068 0.000 2.576 103 Q HA -0.120 4.622 4.340 0.670 0.000 0.218 103 Q C 1.448 177.511 176.000 0.105 0.000 0.983 103 Q CA 0.577 56.423 55.803 0.072 0.000 0.920 103 Q CB 0.044 28.810 28.738 0.048 0.000 0.973 103 Q HN 0.478 nan 8.270 nan 0.000 0.528 104 L N -0.540 120.776 121.223 0.156 0.000 2.529 104 L HA 0.010 4.752 4.340 0.670 0.000 0.223 104 L C 1.374 178.338 176.870 0.157 0.000 1.113 104 L CA 0.327 55.247 54.840 0.134 0.000 0.861 104 L CB 0.466 42.594 42.059 0.116 0.000 1.012 104 L HN 0.129 nan 8.230 nan 0.000 0.461 105 V N -6.318 113.736 119.914 0.235 0.000 3.329 105 V HA 0.414 4.936 4.120 0.670 0.000 0.317 105 V C 1.733 178.028 176.094 0.334 0.000 1.495 105 V CA 0.309 62.803 62.300 0.322 0.000 1.105 105 V CB 0.005 32.122 31.823 0.490 0.000 0.985 105 V HN 0.060 nan 8.190 nan 0.000 0.475 106 A N 1.603 124.543 122.820 0.200 0.000 1.865 106 A HA -0.108 4.614 4.320 0.670 0.000 0.217 106 A C 2.239 179.934 177.584 0.185 0.000 1.191 106 A CA 2.170 54.303 52.037 0.160 0.000 0.623 106 A CB -0.410 18.645 19.000 0.091 0.000 0.826 106 A HN 0.420 nan 8.150 nan 0.000 0.444 107 K N -0.648 119.837 120.400 0.141 0.000 2.025 107 K HA -0.051 4.671 4.320 0.670 0.000 0.207 107 K C -0.585 176.066 176.600 0.085 0.000 1.049 107 K CA 1.463 57.811 56.287 0.102 0.000 0.933 107 K CB -1.677 30.863 32.500 0.067 0.000 0.714 107 K HN 0.460 nan 8.250 nan 0.000 0.438 108 P HA -0.117 nan 4.420 nan 0.000 0.229 108 P C 0.724 177.843 177.300 -0.303 0.000 1.150 108 P CA 1.112 64.149 63.100 -0.105 0.000 0.765 108 P CB -0.078 31.536 31.700 -0.143 0.000 0.783 109 F N -0.046 119.943 119.950 0.065 0.000 2.704 109 F HA 0.099 5.027 4.527 0.667 0.000 0.304 109 F C 1.579 177.429 175.800 0.083 0.000 1.094 109 F CA -0.158 57.879 58.000 0.063 0.000 1.275 109 F CB -0.224 38.803 39.000 0.046 0.000 1.073 109 F HN -0.173 nan 8.300 nan 0.000 0.586 110 S N 0.761 116.574 115.700 0.188 0.000 2.566 110 S HA 0.032 4.904 4.470 0.670 0.000 0.280 110 S C -1.689 173.000 174.600 0.147 0.000 1.343 110 S CA -0.944 57.339 58.200 0.137 0.000 1.036 110 S CB 0.757 64.007 63.200 0.085 0.000 0.866 110 S HN -0.084 nan 8.310 nan 0.000 0.526 111 P HA -0.175 nan 4.420 nan 0.000 0.216 111 P C 1.167 178.539 177.300 0.120 0.000 1.154 111 P CA 1.626 64.757 63.100 0.052 0.000 0.865 111 P CB -0.008 31.510 31.700 -0.302 0.000 0.789 112 E N -0.201 120.035 120.200 0.059 0.000 2.013 112 E HA -0.190 4.562 4.350 0.670 0.000 0.202 112 E C 2.221 178.868 176.600 0.078 0.000 1.018 112 E CA 1.852 58.286 56.400 0.057 0.000 0.834 112 E CB -1.492 28.228 29.700 0.033 0.000 0.770 112 E HN 0.129 nan 8.360 nan 0.000 0.459 113 A N 0.506 123.369 122.820 0.072 0.000 2.024 113 A HA -0.158 4.565 4.320 0.670 0.000 0.220 113 A C 2.143 179.795 177.584 0.114 0.000 1.164 113 A CA 2.028 54.106 52.037 0.068 0.000 0.643 113 A CB -1.051 17.970 19.000 0.036 0.000 0.806 113 A HN 0.390 nan 8.150 nan 0.000 0.451 114 T N -3.999 110.633 114.554 0.130 0.000 3.278 114 T HA 0.238 4.990 4.350 0.670 0.000 0.251 114 T C 0.283 175.090 174.700 0.178 0.000 1.039 114 T CA 0.625 62.809 62.100 0.140 0.000 0.935 114 T CB 0.036 68.966 68.868 0.103 0.000 1.034 114 T HN 0.241 nan 8.240 nan 0.000 0.575 115 D N 0.725 121.231 120.400 0.177 0.000 2.514 115 D HA 0.263 5.305 4.640 0.670 0.000 0.249 115 D C 1.893 178.259 176.300 0.110 0.000 1.036 115 D CA 0.070 54.160 54.000 0.150 0.000 0.911 115 D CB -0.000 40.877 40.800 0.129 0.000 1.145 115 D HN 0.333 nan 8.370 nan 0.000 0.495 116 L N -0.183 121.084 121.223 0.073 0.000 2.661 116 L HA -0.086 4.656 4.340 0.670 0.000 0.236 116 L C 1.062 177.817 176.870 -0.192 0.000 1.176 116 L CA 0.782 55.583 54.840 -0.065 0.000 0.836 116 L CB -0.383 41.597 42.059 -0.132 0.000 0.960 116 L HN -0.008 nan 8.230 nan 0.000 0.455 117 F N -1.318 118.625 119.950 -0.012 0.000 2.724 117 F HA 0.060 4.987 4.527 0.667 0.000 0.306 117 F C 2.236 178.030 175.800 -0.010 0.000 1.100 117 F CA 0.032 58.022 58.000 -0.017 0.000 1.255 117 F CB -0.150 38.832 39.000 -0.030 0.000 1.072 117 F HN -0.109 nan 8.300 nan 0.000 0.589 118 T N 0.060 114.706 114.554 0.153 0.000 2.217 118 T HA -0.348 4.404 4.350 0.670 0.000 0.206 118 T C 1.488 176.230 174.700 0.070 0.000 1.634 118 T CA 1.925 64.082 62.100 0.094 0.000 1.183 118 T CB -0.493 68.418 68.868 0.073 0.000 0.861 118 T HN 0.023 nan 8.240 nan 0.000 0.392 119 E N 1.041 121.267 120.200 0.044 0.000 2.445 119 E HA -0.039 4.713 4.350 0.670 0.000 0.204 119 E C 1.746 178.365 176.600 0.031 0.000 1.194 119 E CA 0.166 56.585 56.400 0.032 0.000 0.950 119 E CB -0.120 29.591 29.700 0.018 0.000 0.976 119 E HN 0.305 nan 8.360 nan 0.000 0.519 120 Q N -0.719 119.113 119.800 0.052 0.000 2.350 120 Q HA 0.116 4.858 4.340 0.670 0.000 0.225 120 Q C 1.491 177.538 176.000 0.079 0.000 0.878 120 Q CA 0.164 56.003 55.803 0.060 0.000 0.935 120 Q CB 0.343 29.125 28.738 0.074 0.000 1.099 120 Q HN 0.409 nan 8.270 nan 0.000 0.527 121 L N 0.093 121.364 121.223 0.080 0.000 2.270 121 L HA 0.043 4.785 4.340 0.670 0.000 0.210 121 L C 2.563 179.456 176.870 0.039 0.000 1.104 121 L CA 0.507 55.383 54.840 0.060 0.000 0.804 121 L CB -0.114 41.976 42.059 0.052 0.000 0.937 121 L HN 0.084 nan 8.230 nan 0.000 0.450 122 R N -0.252 120.270 120.500 0.037 0.000 2.066 122 R HA -0.208 4.534 4.340 0.670 0.000 0.232 122 R C 2.273 178.587 176.300 0.023 0.000 1.131 122 R CA 1.369 57.486 56.100 0.027 0.000 0.955 122 R CB -0.026 30.289 30.300 0.025 0.000 0.851 122 R HN 0.141 nan 8.270 nan 0.000 0.432 123 Q N 0.482 120.298 119.800 0.026 0.000 1.967 123 Q HA -0.219 4.524 4.340 0.670 0.000 0.210 123 Q C 2.091 178.106 176.000 0.025 0.000 1.005 123 Q CA 2.972 58.789 55.803 0.024 0.000 0.862 123 Q CB -0.425 28.329 28.738 0.026 0.000 0.939 123 Q HN 0.501 nan 8.270 nan 0.000 0.417 124 S N -1.551 114.168 115.700 0.031 0.000 2.402 124 S HA -0.195 4.677 4.470 0.670 0.000 0.233 124 S C 2.008 176.618 174.600 0.017 0.000 1.030 124 S CA 1.663 59.881 58.200 0.029 0.000 1.003 124 S CB -0.852 62.369 63.200 0.035 0.000 0.813 124 S HN 0.408 nan 8.310 nan 0.000 0.477 125 T N 2.664 117.224 114.554 0.010 0.000 2.698 125 T HA 0.037 4.789 4.350 0.670 0.000 0.260 125 T C 1.729 176.425 174.700 -0.007 0.000 1.044 125 T CA 1.165 63.258 62.100 -0.010 0.000 1.149 125 T CB -0.525 68.344 68.868 0.001 0.000 0.864 125 T HN 0.412 nan 8.240 nan 0.000 0.419 126 N N 1.278 119.982 118.700 0.007 0.000 2.573 126 N HA -0.061 5.081 4.740 0.670 0.000 0.187 126 N C 0.745 176.268 175.510 0.021 0.000 1.107 126 N CA 0.697 53.752 53.050 0.008 0.000 0.918 126 N CB -0.037 38.453 38.487 0.006 0.000 0.966 126 N HN 0.305 nan 8.380 nan 0.000 0.448 127 D N -0.413 120.004 120.400 0.028 0.000 2.407 127 D HA 0.176 5.218 4.640 0.670 0.000 0.208 127 D C 1.501 177.840 176.300 0.065 0.000 1.083 127 D CA -0.039 53.985 54.000 0.041 0.000 0.844 127 D CB 0.809 41.630 40.800 0.035 0.000 0.967 127 D HN 0.183 nan 8.370 nan 0.000 0.506 128 L N 0.497 121.759 121.223 0.065 0.000 2.590 128 L HA 0.105 4.847 4.340 0.670 0.000 0.227 128 L C 1.613 178.613 176.870 0.216 0.000 1.099 128 L CA 0.196 55.107 54.840 0.117 0.000 0.872 128 L CB 0.376 42.456 42.059 0.036 0.000 1.088 128 L HN -0.019 nan 8.230 nan 0.000 0.479 129 I N -4.005 116.641 120.570 0.127 0.000 3.251 129 I HA -0.014 4.558 4.170 0.670 0.000 0.277 129 I C 1.535 177.781 176.117 0.216 0.000 1.268 129 I CA 0.953 62.363 61.300 0.182 0.000 1.449 129 I CB -0.511 37.515 38.000 0.043 0.000 1.083 129 I HN -0.034 nan 8.210 nan 0.000 0.464 130 D N 2.043 122.533 120.400 0.151 0.000 2.194 130 D HA 0.014 5.056 4.640 0.670 0.000 0.204 130 D C 2.388 178.759 176.300 0.119 0.000 0.964 130 D CA 1.475 55.538 54.000 0.106 0.000 0.846 130 D CB -0.042 40.798 40.800 0.067 0.000 0.962 130 D HN 0.459 nan 8.370 nan 0.000 0.490 131 A N 1.086 124.005 122.820 0.167 0.000 1.971 131 A HA -0.224 4.498 4.320 0.670 0.000 0.222 131 A C 1.844 179.412 177.584 -0.026 0.000 1.182 131 A CA 1.686 53.785 52.037 0.102 0.000 0.649 131 A CB -0.238 18.877 19.000 0.192 0.000 0.818 131 A HN 0.253 nan 8.150 nan 0.000 0.458 132 R N -2.352 118.139 120.500 -0.015 0.000 2.539 132 R HA 0.382 5.124 4.340 0.670 0.000 0.342 132 R C 1.200 177.563 176.300 0.105 0.000 0.941 132 R CA 0.135 56.135 56.100 -0.166 0.000 1.146 132 R CB -0.157 29.685 30.300 -0.762 0.000 1.541 132 R HN 0.442 nan 8.270 nan 0.000 0.525 133 I N 1.742 122.421 120.570 0.181 0.000 2.953 133 I HA -0.180 4.392 4.170 0.670 0.000 0.271 133 I C 0.892 177.116 176.117 0.178 0.000 1.286 133 I CA 1.516 62.908 61.300 0.154 0.000 1.449 133 I CB 0.226 38.245 38.000 0.033 0.000 1.086 133 I HN 0.238 nan 8.210 nan 0.000 0.483 134 E N -0.642 119.633 120.200 0.125 0.000 2.498 134 E HA 0.026 4.778 4.350 0.670 0.000 0.203 134 E C 1.505 178.141 176.600 0.059 0.000 1.013 134 E CA 0.026 56.477 56.400 0.085 0.000 0.927 134 E CB 0.568 30.291 29.700 0.039 0.000 1.012 134 E HN 0.376 nan 8.360 nan 0.000 0.482 135 L N -0.794 120.456 121.223 0.046 0.000 2.221 135 L HA 0.212 4.954 4.340 0.670 0.000 0.202 135 L C 1.778 178.583 176.870 -0.107 0.000 1.074 135 L CA 1.543 56.352 54.840 -0.053 0.000 0.795 135 L CB 0.228 42.205 42.059 -0.136 0.000 0.960 135 L HN 0.277 nan 8.230 nan 0.000 0.458 136 G N -1.131 107.574 108.800 -0.159 0.000 2.352 136 G HA2 -0.178 4.184 3.960 0.670 0.000 0.204 136 G HA3 -0.178 4.184 3.960 0.670 0.000 0.204 136 G C 0.260 174.281 174.900 -1.465 0.000 1.004 136 G CA 0.285 45.046 45.100 -0.564 0.000 0.648 136 G HN 0.448 nan 8.290 nan 0.000 0.491 137 E N -1.272 118.373 120.200 -0.925 0.000 2.391 137 E HA 0.754 5.506 4.350 0.670 0.000 0.256 137 E C -0.010 176.368 176.600 -0.370 0.000 0.975 137 E CA -0.336 55.656 56.400 -0.680 0.000 0.881 137 E CB 1.138 30.625 29.700 -0.354 0.000 1.728 137 E HN 1.837 nan 8.360 nan 0.000 0.446 138 G N 0.123 108.842 108.800 -0.135 0.000 2.277 138 G HA2 0.177 4.539 3.960 0.670 0.000 0.272 138 G HA3 0.177 4.539 3.960 0.670 0.000 0.272 138 G C -1.656 173.409 174.900 0.275 0.000 1.692 138 G CA -0.603 44.426 45.100 -0.119 0.000 0.926 138 G HN 0.587 nan 8.290 nan 0.000 0.720 139 D N 1.753 122.285 120.400 0.221 0.000 2.380 139 D HA 0.291 5.333 4.640 0.670 0.000 0.270 139 D C 1.776 178.272 176.300 0.327 0.000 1.363 139 D CA 0.722 54.875 54.000 0.255 0.000 1.057 139 D CB 0.898 41.818 40.800 0.200 0.000 1.096 139 D HN 0.710 nan 8.370 nan 0.000 0.524 140 A N 3.665 126.637 122.820 0.253 0.000 2.139 140 A HA -0.158 4.564 4.320 0.670 0.000 0.221 140 A C 1.988 179.543 177.584 -0.049 0.000 1.159 140 A CA 1.859 53.860 52.037 -0.060 0.000 0.662 140 A CB -0.015 18.841 19.000 -0.241 0.000 0.796 140 A HN 0.607 nan 8.150 nan 0.000 0.463 141 A N -0.415 122.436 122.820 0.051 0.000 1.843 141 A HA 0.042 4.764 4.320 0.670 0.000 0.213 141 A C 2.478 180.049 177.584 -0.021 0.000 1.239 141 A CA 2.192 54.224 52.037 -0.008 0.000 0.606 141 A CB -1.421 17.531 19.000 -0.081 0.000 0.903 141 A HN 0.769 nan 8.150 nan 0.000 0.455 142 T N -3.639 110.921 114.554 0.009 0.000 2.708 142 T HA -0.244 4.508 4.350 0.670 0.000 0.266 142 T C 1.714 176.484 174.700 0.117 0.000 1.037 142 T CA 1.844 63.963 62.100 0.032 0.000 1.146 142 T CB -0.587 68.323 68.868 0.069 0.000 0.865 142 T HN 0.632 nan 8.240 nan 0.000 0.435 143 W N 1.859 123.131 121.300 -0.047 0.000 2.381 143 W HA 0.218 5.335 4.660 0.762 0.000 0.301 143 W C 1.607 178.087 176.519 -0.065 0.000 1.205 143 W CA 0.729 58.045 57.345 -0.049 0.000 1.285 143 W CB -0.356 29.078 29.460 -0.042 0.000 1.133 143 W HN 0.313 nan 8.180 nan 0.000 0.521 144 L N -1.262 119.786 121.223 -0.292 0.000 2.678 144 L HA 0.275 5.017 4.340 0.670 0.000 0.211 144 L C 2.522 179.301 176.870 -0.153 0.000 1.043 144 L CA 0.674 55.253 54.840 -0.436 0.000 0.881 144 L CB -1.429 40.072 42.059 -0.929 0.000 1.361 144 L HN -0.156 nan 8.230 nan 0.000 0.484 145 A N 1.580 124.369 122.820 -0.051 0.000 1.896 145 A HA -0.294 4.428 4.320 0.670 0.000 0.220 145 A C 1.877 179.438 177.584 -0.037 0.000 1.206 145 A CA 2.859 54.905 52.037 0.015 0.000 0.647 145 A CB -0.861 18.141 19.000 0.004 0.000 0.828 145 A HN 0.520 nan 8.150 nan 0.000 0.455 146 N N -0.245 118.428 118.700 -0.046 0.000 2.135 146 N HA -0.078 5.064 4.740 0.670 0.000 0.186 146 N C 1.666 177.161 175.510 -0.026 0.000 1.027 146 N CA 1.406 54.432 53.050 -0.040 0.000 0.849 146 N CB -0.245 38.215 38.487 -0.045 0.000 1.002 146 N HN 0.490 nan 8.380 nan 0.000 0.425 147 E N 0.597 120.784 120.200 -0.022 0.000 2.106 147 E HA -0.064 4.688 4.350 0.670 0.000 0.192 147 E C 2.045 178.636 176.600 -0.016 0.000 0.984 147 E CA 0.590 56.985 56.400 -0.008 0.000 0.806 147 E CB -0.219 29.487 29.700 0.009 0.000 0.750 147 E HN 0.483 nan 8.360 nan 0.000 0.458 148 I N 1.756 122.307 120.570 -0.032 0.000 2.226 148 I HA -0.184 4.388 4.170 0.670 0.000 0.245 148 I C -0.413 175.687 176.117 -0.028 0.000 1.100 148 I CA 1.163 62.446 61.300 -0.028 0.000 1.374 148 I CB -1.457 36.525 38.000 -0.031 0.000 1.057 148 I HN 0.096 nan 8.210 nan 0.000 0.413 149 P HA 0.020 nan 4.420 nan 0.000 0.222 149 P C 1.441 178.713 177.300 -0.046 0.000 1.157 149 P CA 1.354 64.432 63.100 -0.036 0.000 0.816 149 P CB 0.222 31.907 31.700 -0.026 0.000 0.813 150 A N 0.951 123.752 122.820 -0.031 0.000 1.898 150 A HA -0.117 4.605 4.320 0.670 0.000 0.216 150 A C 2.447 180.015 177.584 -0.026 0.000 1.181 150 A CA 1.091 53.112 52.037 -0.026 0.000 0.620 150 A CB -1.031 17.978 19.000 0.015 0.000 0.819 150 A HN 0.029 nan 8.150 nan 0.000 0.442 151 R N -1.052 119.443 120.500 -0.008 0.000 2.066 151 R HA -0.091 4.651 4.340 0.670 0.000 0.232 151 R C 2.138 178.421 176.300 -0.027 0.000 1.131 151 R CA 1.344 57.447 56.100 0.004 0.000 0.955 151 R CB -0.616 29.695 30.300 0.018 0.000 0.851 151 R HN 0.473 nan 8.270 nan 0.000 0.432 152 L N 1.115 122.305 121.223 -0.055 0.000 2.012 152 L HA -0.188 4.554 4.340 0.670 0.000 0.210 152 L C 1.839 178.599 176.870 -0.184 0.000 1.073 152 L CA 2.040 56.807 54.840 -0.122 0.000 0.748 152 L CB -1.205 40.774 42.059 -0.134 0.000 0.891 152 L HN 0.105 nan 8.230 nan 0.000 0.431 153 T N 0.469 114.934 114.554 -0.149 0.000 2.595 153 T HA -0.230 4.522 4.350 0.670 0.000 0.264 153 T C 1.916 176.525 174.700 -0.153 0.000 1.058 153 T CA 2.123 64.127 62.100 -0.160 0.000 1.166 153 T CB -0.777 67.995 68.868 -0.160 0.000 0.863 153 T HN 0.593 nan 8.240 nan 0.000 0.415 154 A N 1.681 124.413 122.820 -0.146 0.000 1.969 154 A HA -0.197 4.525 4.320 0.670 0.000 0.223 154 A C 2.094 179.657 177.584 -0.036 0.000 1.218 154 A CA 1.833 53.808 52.037 -0.104 0.000 0.667 154 A CB -0.908 18.075 19.000 -0.027 0.000 0.826 154 A HN 0.515 nan 8.150 nan 0.000 0.472 155 I N -0.622 119.923 120.570 -0.041 0.000 2.830 155 I HA -0.121 4.451 4.170 0.670 0.000 0.263 155 I C 2.126 178.232 176.117 -0.019 0.000 1.230 155 I CA 0.886 62.193 61.300 0.011 0.000 1.480 155 I CB -1.240 36.797 38.000 0.061 0.000 1.095 155 I HN 0.348 nan 8.210 nan 0.000 0.455 156 L N -0.359 120.784 121.223 -0.133 0.000 2.253 156 L HA 0.045 4.787 4.340 0.670 0.000 0.205 156 L C 1.723 178.577 176.870 -0.026 0.000 1.078 156 L CA 0.580 55.334 54.840 -0.142 0.000 0.805 156 L CB -0.348 41.559 42.059 -0.254 0.000 0.963 156 L HN 0.056 nan 8.230 nan 0.000 0.459 157 L N 1.111 122.329 121.223 -0.009 0.000 2.715 157 L HA 0.248 4.990 4.340 0.670 0.000 0.238 157 L C 0.719 177.647 176.870 0.097 0.000 1.212 157 L CA -0.264 54.617 54.840 0.068 0.000 1.017 157 L CB -0.953 41.144 42.059 0.064 0.000 1.269 157 L HN 0.367 nan 8.230 nan 0.000 0.452 158 G N 1.574 110.416 108.800 0.071 0.000 2.290 158 G HA2 -0.261 4.101 3.960 0.670 0.000 0.270 158 G HA3 -0.261 4.101 3.960 0.670 0.000 0.270 158 G C -0.400 174.558 174.900 0.097 0.000 0.891 158 G CA 0.297 45.445 45.100 0.080 0.000 1.321 158 G HN 0.326 nan 8.290 nan 0.000 0.425 159 L N 1.133 122.408 121.223 0.088 0.000 2.327 159 L HA 0.542 5.284 4.340 0.670 0.000 0.258 159 L C -2.221 174.726 176.870 0.127 0.000 1.024 159 L CA -2.715 52.196 54.840 0.119 0.000 0.825 159 L CB 2.529 44.636 42.059 0.081 0.000 1.386 159 L HN -0.071 nan 8.230 nan 0.000 0.417 160 P HA 0.126 nan 4.420 nan 0.000 0.268 160 P C -2.130 175.276 177.300 0.177 0.000 1.282 160 P CA -0.964 62.233 63.100 0.161 0.000 0.880 160 P CB 0.416 32.217 31.700 0.167 0.000 0.971 161 P HA -0.227 nan 4.420 nan 0.000 0.218 161 P C 0.544 177.904 177.300 0.100 0.000 1.154 161 P CA 1.534 64.696 63.100 0.103 0.000 0.872 161 P CB 0.135 31.878 31.700 0.071 0.000 0.790 162 E N -0.083 120.158 120.200 0.068 0.000 2.360 162 E HA 0.097 4.849 4.350 0.670 0.000 0.253 162 E C -0.886 175.697 176.600 -0.029 0.000 1.189 162 E CA 0.050 56.466 56.400 0.028 0.000 1.252 162 E CB -1.365 28.343 29.700 0.014 0.000 1.408 162 E HN 0.118 nan 8.360 nan 0.000 0.464 163 D N 0.482 120.845 120.400 -0.062 0.000 2.602 163 D HA 0.153 5.195 4.640 0.670 0.000 0.265 163 D C 1.427 177.448 176.300 -0.465 0.000 1.454 163 D CA 0.182 53.976 54.000 -0.344 0.000 0.795 163 D CB 0.720 41.156 40.800 -0.607 0.000 1.140 163 D HN 0.412 nan 8.370 nan 0.000 0.486 164 G N 1.244 109.978 108.800 -0.110 0.000 2.624 164 G HA2 -0.379 3.983 3.960 0.670 0.000 0.221 164 G HA3 -0.379 3.983 3.960 0.670 0.000 0.221 164 G C 1.335 176.133 174.900 -0.170 0.000 1.169 164 G CA 1.288 46.376 45.100 -0.020 0.000 0.771 164 G HN 0.228 nan 8.290 nan 0.000 0.598 165 D N -0.187 120.090 120.400 -0.205 0.000 2.133 165 D HA -0.133 4.909 4.640 0.670 0.000 0.192 165 D C 2.577 178.676 176.300 -0.335 0.000 1.001 165 D CA 1.804 55.673 54.000 -0.219 0.000 0.844 165 D CB -0.602 40.094 40.800 -0.174 0.000 0.944 165 D HN 0.274 nan 8.370 nan 0.000 0.447 166 T N 0.477 114.714 114.554 -0.529 0.000 2.652 166 T HA -0.174 4.578 4.350 0.670 0.000 0.267 166 T C 1.856 175.919 174.700 -1.062 0.000 1.039 166 T CA 1.125 62.772 62.100 -0.754 0.000 1.153 166 T CB -0.378 67.969 68.868 -0.869 0.000 0.863 166 T HN 0.145 nan 8.240 nan 0.000 0.428 167 Y N 1.344 121.174 120.300 -0.783 0.000 2.089 167 Y HA -0.033 4.917 4.550 0.668 0.000 0.282 167 Y C 2.625 178.334 175.900 -0.318 0.000 1.139 167 Y CA 0.653 58.323 58.100 -0.716 0.000 1.123 167 Y CB -0.819 37.411 38.460 -0.382 0.000 0.980 167 Y HN 0.072 nan 8.280 nan 0.000 0.493 168 R N 0.049 120.516 120.500 -0.055 0.000 2.185 168 R HA -0.230 4.512 4.340 0.670 0.000 0.247 168 R C 2.422 178.752 176.300 0.050 0.000 1.159 168 R CA 1.575 57.676 56.100 0.001 0.000 0.988 168 R CB -0.315 29.948 30.300 -0.062 0.000 0.871 168 R HN 0.357 nan 8.270 nan 0.000 0.458 169 R N 0.056 120.526 120.500 -0.050 0.000 2.073 169 R HA -0.145 4.597 4.340 0.670 0.000 0.229 169 R C 1.589 178.058 176.300 0.282 0.000 1.120 169 R CA 1.330 57.473 56.100 0.071 0.000 0.967 169 R CB -0.068 30.212 30.300 -0.034 0.000 0.862 169 R HN 0.214 nan 8.270 nan 0.000 0.436 170 W N 0.336 121.709 121.300 0.121 0.000 2.378 170 W HA -0.064 5.000 4.660 0.673 0.000 0.313 170 W C 2.143 178.759 176.519 0.162 0.000 1.197 170 W CA 0.206 57.624 57.345 0.121 0.000 1.304 170 W CB -1.148 28.366 29.460 0.090 0.000 1.148 170 W HN -0.072 nan 8.180 nan 0.000 0.494 171 V N 0.003 120.150 119.914 0.387 0.000 2.568 171 V HA -0.289 4.233 4.120 0.670 0.000 0.253 171 V C 2.022 178.260 176.094 0.241 0.000 1.072 171 V CA 1.567 64.024 62.300 0.261 0.000 1.084 171 V CB -0.956 30.983 31.823 0.195 0.000 0.676 171 V HN 0.339 nan 8.190 nan 0.000 0.469 172 W N 0.190 121.531 121.300 0.069 0.000 2.465 172 W HA -0.119 4.943 4.660 0.670 0.000 0.268 172 W C 2.083 178.628 176.519 0.043 0.000 1.242 172 W CA 1.064 58.428 57.345 0.031 0.000 1.248 172 W CB 0.155 29.631 29.460 0.027 0.000 1.118 172 W HN 0.335 nan 8.180 nan 0.000 0.587 173 A N -0.022 122.865 122.820 0.112 0.000 1.997 173 A HA 0.009 4.731 4.320 0.670 0.000 0.212 173 A C 1.836 179.374 177.584 -0.076 0.000 1.178 173 A CA 0.665 52.712 52.037 0.017 0.000 0.698 173 A CB -0.647 18.447 19.000 0.157 0.000 0.842 173 A HN 0.222 nan 8.150 nan 0.000 0.458 174 I N -0.946 119.605 120.570 -0.032 0.000 2.163 174 I HA -0.193 4.379 4.170 0.670 0.000 0.240 174 I C 2.604 178.366 176.117 -0.590 0.000 1.081 174 I CA 1.757 62.936 61.300 -0.202 0.000 1.353 174 I CB -0.754 37.235 38.000 -0.018 0.000 1.054 174 I HN 0.279 nan 8.210 nan 0.000 0.407 175 T N -1.010 113.252 114.554 -0.486 0.000 2.869 175 T HA -0.247 4.505 4.350 0.670 0.000 0.270 175 T C 0.409 174.883 174.700 -0.376 0.000 1.082 175 T CA 1.300 63.075 62.100 -0.542 0.000 1.123 175 T CB -0.585 68.121 68.868 -0.271 0.000 0.856 175 T HN 0.562 nan 8.240 nan 0.000 0.499 176 H N -2.368 116.408 119.070 -0.490 0.000 4.882 176 H HA -0.132 4.826 4.556 0.670 0.000 0.307 176 H C -1.173 173.837 175.328 -0.529 0.000 0.642 176 H CA -0.033 55.789 56.048 -0.376 0.000 0.772 176 H CB -0.645 29.006 29.762 -0.185 0.000 1.125 176 H HN 0.053 nan 8.280 nan 0.000 0.328 177 V N 5.193 124.960 119.914 -0.244 0.000 2.947 177 V HA 0.058 4.580 4.120 0.670 0.000 0.381 177 V C 0.759 176.734 176.094 -0.198 0.000 1.376 177 V CA 0.587 62.632 62.300 -0.425 0.000 1.292 177 V CB 0.596 32.148 31.823 -0.451 0.000 1.295 177 V HN 0.874 nan 8.190 nan 0.000 0.617 178 E N 0.979 120.950 120.200 -0.381 0.000 2.609 178 E HA -0.271 4.481 4.350 0.670 0.000 0.253 178 E C 0.657 177.284 176.600 0.044 0.000 1.237 178 E CA 0.770 57.054 56.400 -0.192 0.000 0.720 178 E CB -0.462 29.136 29.700 -0.169 0.000 1.300 178 E HN 0.779 nan 8.360 nan 0.000 0.420 179 N N 0.901 119.652 118.700 0.085 0.000 2.515 179 N HA 0.114 5.256 4.740 0.670 0.000 0.279 179 N C -0.956 174.590 175.510 0.061 0.000 1.164 179 N CA -1.304 51.785 53.050 0.064 0.000 0.982 179 N CB 1.152 39.672 38.487 0.054 0.000 1.170 179 N HN -0.223 nan 8.380 nan 0.000 0.474 180 P HA -0.165 nan 4.420 nan 0.000 0.207 180 P C 0.259 177.561 177.300 0.004 0.000 0.938 180 P CA 1.882 64.995 63.100 0.022 0.000 0.948 180 P CB 0.143 31.857 31.700 0.023 0.000 0.643 181 E N -1.744 118.462 120.200 0.010 0.000 2.562 181 E HA 0.078 4.830 4.350 0.670 0.000 0.214 181 E C 1.524 178.139 176.600 0.025 0.000 0.979 181 E CA 0.174 56.577 56.400 0.004 0.000 1.002 181 E CB -0.847 28.858 29.700 0.008 0.000 1.048 181 E HN 0.315 nan 8.360 nan 0.000 0.488 182 E N 0.827 121.049 120.200 0.038 0.000 2.455 182 E HA -0.076 4.676 4.350 0.670 0.000 0.202 182 E C 1.532 178.175 176.600 0.070 0.000 1.045 182 E CA 0.901 57.335 56.400 0.058 0.000 0.872 182 E CB -0.121 29.619 29.700 0.066 0.000 0.792 182 E HN 0.556 nan 8.360 nan 0.000 0.542 183 G N 0.569 109.396 108.800 0.045 0.000 2.494 183 G HA2 -0.064 4.298 3.960 0.670 0.000 0.216 183 G HA3 -0.064 4.298 3.960 0.670 0.000 0.216 183 G C 1.528 176.476 174.900 0.080 0.000 1.140 183 G CA 0.528 45.653 45.100 0.042 0.000 0.801 183 G HN 0.308 nan 8.290 nan 0.000 0.536 184 A N 1.003 123.859 122.820 0.060 0.000 1.874 184 A HA 0.095 4.817 4.320 0.670 0.000 0.214 184 A C 2.068 179.727 177.584 0.125 0.000 1.189 184 A CA 1.758 53.855 52.037 0.098 0.000 0.615 184 A CB -0.470 18.559 19.000 0.050 0.000 0.830 184 A HN 0.416 nan 8.150 nan 0.000 0.443 185 E N 0.166 120.417 120.200 0.085 0.000 2.070 185 E HA -0.230 4.522 4.350 0.670 0.000 0.197 185 E C 1.779 178.421 176.600 0.069 0.000 1.004 185 E CA 1.875 58.317 56.400 0.070 0.000 0.805 185 E CB -0.285 29.452 29.700 0.062 0.000 0.744 185 E HN 0.652 nan 8.360 nan 0.000 0.451 186 I N -0.034 120.596 120.570 0.100 0.000 2.617 186 I HA -0.131 4.441 4.170 0.670 0.000 0.256 186 I C 2.167 178.315 176.117 0.052 0.000 1.167 186 I CA 0.374 61.741 61.300 0.112 0.000 1.469 186 I CB -0.204 37.908 38.000 0.187 0.000 1.098 186 I HN 0.162 nan 8.210 nan 0.000 0.436 187 F N 2.022 121.947 119.950 -0.041 0.000 2.407 187 F HA -0.011 4.918 4.527 0.669 0.000 0.299 187 F C 2.370 178.062 175.800 -0.180 0.000 1.097 187 F CA 0.851 58.789 58.000 -0.104 0.000 1.422 187 F CB -0.082 38.888 39.000 -0.050 0.000 1.067 187 F HN -0.026 nan 8.300 nan 0.000 0.539 188 A N 0.192 122.942 122.820 -0.116 0.000 2.067 188 A HA -0.137 4.585 4.320 0.670 0.000 0.219 188 A C 2.026 179.417 177.584 -0.321 0.000 1.158 188 A CA 1.605 53.542 52.037 -0.165 0.000 0.661 188 A CB -0.621 18.369 19.000 -0.017 0.000 0.801 188 A HN 0.586 nan 8.150 nan 0.000 0.452 189 E N -0.329 119.635 120.200 -0.394 0.000 2.076 189 E HA -0.052 4.700 4.350 0.670 0.000 0.190 189 E C 1.952 177.966 176.600 -0.977 0.000 0.979 189 E CA 0.817 56.934 56.400 -0.471 0.000 0.807 189 E CB -0.333 29.189 29.700 -0.297 0.000 0.761 189 E HN 0.587 nan 8.360 nan 0.000 0.454 190 L N 1.372 121.691 121.223 -1.506 0.000 2.042 190 L HA -0.181 4.561 4.340 0.670 0.000 0.210 190 L C 2.267 178.485 176.870 -1.086 0.000 1.076 190 L CA 1.043 54.710 54.840 -1.955 0.000 0.749 190 L CB -0.026 41.182 42.059 -1.419 0.000 0.893 190 L HN -0.019 nan 8.230 nan 0.000 0.432 191 V N 0.002 119.359 119.914 -0.928 0.000 2.515 191 V HA -0.226 4.296 4.120 0.670 0.000 0.250 191 V C 2.701 178.551 176.094 -0.407 0.000 1.058 191 V CA 1.423 63.337 62.300 -0.645 0.000 1.064 191 V CB -0.993 30.511 31.823 -0.531 0.000 0.675 191 V HN 0.602 nan 8.190 nan 0.000 0.461 192 A N -0.605 122.010 122.820 -0.340 0.000 1.841 192 A HA -0.214 4.508 4.320 0.670 0.000 0.214 192 A C 2.099 179.644 177.584 -0.065 0.000 1.195 192 A CA 1.798 53.753 52.037 -0.136 0.000 0.611 192 A CB -0.907 18.076 19.000 -0.028 0.000 0.835 192 A HN 0.653 nan 8.150 nan 0.000 0.443 193 H N -0.675 118.234 119.070 -0.268 0.000 2.353 193 H HA -0.082 4.875 4.556 0.670 0.000 0.300 193 H C 2.556 177.703 175.328 -0.301 0.000 1.090 193 H CA 0.788 56.750 56.048 -0.144 0.000 1.327 193 H CB -0.051 29.781 29.762 0.118 0.000 1.383 193 H HN 0.558 nan 8.280 nan 0.000 0.508 194 A N 1.653 124.226 122.820 -0.412 0.000 1.917 194 A HA -0.218 4.504 4.320 0.670 0.000 0.219 194 A C 2.386 179.689 177.584 -0.468 0.000 1.182 194 A CA 1.423 52.991 52.037 -0.782 0.000 0.633 194 A CB -0.404 18.129 19.000 -0.779 0.000 0.819 194 A HN 0.322 nan 8.150 nan 0.000 0.448 195 R N -1.222 119.099 120.500 -0.299 0.000 2.062 195 R HA -0.088 4.654 4.340 0.670 0.000 0.231 195 R C 2.377 178.590 176.300 -0.145 0.000 1.136 195 R CA 1.817 57.804 56.100 -0.188 0.000 0.948 195 R CB -1.021 29.203 30.300 -0.127 0.000 0.845 195 R HN 0.554 nan 8.270 nan 0.000 0.430 196 T N 2.932 117.410 114.554 -0.126 0.000 2.635 196 T HA -0.151 4.601 4.350 0.670 0.000 0.267 196 T C 1.761 176.404 174.700 -0.095 0.000 1.040 196 T CA 1.271 63.313 62.100 -0.097 0.000 1.156 196 T CB -0.366 68.441 68.868 -0.102 0.000 0.863 196 T HN 0.148 nan 8.240 nan 0.000 0.430 197 L N 1.225 122.377 121.223 -0.118 0.000 2.043 197 L HA -0.120 4.622 4.340 0.670 0.000 0.212 197 L C 2.216 179.031 176.870 -0.092 0.000 1.075 197 L CA 1.898 56.682 54.840 -0.093 0.000 0.752 197 L CB -1.093 40.896 42.059 -0.116 0.000 0.891 197 L HN 0.360 nan 8.230 nan 0.000 0.432 198 I N 0.843 121.332 120.570 -0.136 0.000 2.091 198 I HA -0.309 4.263 4.170 0.670 0.000 0.239 198 I C 2.827 178.908 176.117 -0.059 0.000 1.061 198 I CA 1.602 62.844 61.300 -0.097 0.000 1.317 198 I CB -0.739 37.195 38.000 -0.110 0.000 1.031 198 I HN 0.331 nan 8.210 nan 0.000 0.401 199 A N 0.005 122.790 122.820 -0.058 0.000 2.070 199 A HA -0.149 4.573 4.320 0.670 0.000 0.220 199 A C 1.807 179.373 177.584 -0.029 0.000 1.159 199 A CA 1.394 53.408 52.037 -0.039 0.000 0.656 199 A CB -0.364 18.613 19.000 -0.038 0.000 0.800 199 A HN 0.433 nan 8.150 nan 0.000 0.453 200 E N -0.804 119.378 120.200 -0.031 0.000 2.419 200 E HA 0.114 4.866 4.350 0.670 0.000 0.190 200 E C 1.045 177.639 176.600 -0.010 0.000 1.040 200 E CA -0.057 56.332 56.400 -0.019 0.000 0.900 200 E CB 0.208 29.896 29.700 -0.019 0.000 1.054 200 E HN 0.514 nan 8.360 nan 0.000 0.462 201 R N -0.180 120.312 120.500 -0.013 0.000 2.243 201 R HA 0.180 4.922 4.340 0.670 0.000 0.193 201 R C 1.853 178.150 176.300 -0.006 0.000 0.933 201 R CA -0.153 55.944 56.100 -0.005 0.000 1.105 201 R CB 0.120 30.417 30.300 -0.004 0.000 1.169 201 R HN -0.026 nan 8.270 nan 0.000 0.599 202 R N 2.145 122.638 120.500 -0.011 0.000 2.369 202 R HA -0.066 4.676 4.340 0.670 0.000 0.200 202 R C 0.861 177.157 176.300 -0.007 0.000 1.046 202 R CA 1.465 57.559 56.100 -0.010 0.000 1.057 202 R CB 0.126 30.418 30.300 -0.013 0.000 0.888 202 R HN 0.291 nan 8.270 nan 0.000 0.474 203 T N -3.429 111.122 114.554 -0.006 0.000 3.286 203 T HA 0.046 4.798 4.350 0.670 0.000 0.237 203 T C 0.821 175.520 174.700 -0.002 0.000 0.969 203 T CA -0.169 61.929 62.100 -0.004 0.000 1.298 203 T CB -0.058 68.807 68.868 -0.005 0.000 1.053 203 T HN 0.021 nan 8.240 nan 0.000 0.402 204 N N 2.850 121.550 118.700 -0.000 0.000 2.851 204 N HA 0.371 5.513 4.740 0.670 0.000 0.248 204 N C -2.746 172.767 175.510 0.005 0.000 1.221 204 N CA -1.309 51.742 53.050 0.003 0.000 0.847 204 N CB 1.192 39.681 38.487 0.003 0.000 1.150 204 N HN 0.169 nan 8.380 nan 0.000 0.507 205 P HA 0.227 nan 4.420 nan 0.000 0.287 205 P C 0.288 177.597 177.300 0.014 0.000 1.282 205 P CA 0.006 63.111 63.100 0.009 0.000 0.804 205 P CB 0.463 32.166 31.700 0.006 0.000 1.323 206 G N -1.748 107.062 108.800 0.016 0.000 2.561 206 G HA2 0.128 4.490 3.960 0.670 0.000 0.310 206 G HA3 0.128 4.490 3.960 0.670 0.000 0.310 206 G C -0.305 174.608 174.900 0.021 0.000 1.292 206 G CA -0.193 44.920 45.100 0.021 0.000 0.811 206 G HN 0.497 nan 8.290 nan 0.000 0.482 207 N N 0.237 118.954 118.700 0.028 0.000 2.356 207 N HA -0.031 5.111 4.740 0.670 0.000 0.178 207 N C 0.340 175.876 175.510 0.043 0.000 1.075 207 N CA 0.648 53.715 53.050 0.027 0.000 0.889 207 N CB 0.012 38.510 38.487 0.018 0.000 0.999 207 N HN 0.738 nan 8.380 nan 0.000 0.464 208 D N 0.822 121.255 120.400 0.056 0.000 2.341 208 D HA -0.115 4.927 4.640 0.670 0.000 0.235 208 D C 1.776 178.099 176.300 0.038 0.000 1.265 208 D CA 0.000 54.037 54.000 0.061 0.000 0.888 208 D CB 0.887 41.726 40.800 0.065 0.000 1.192 208 D HN 0.133 nan 8.370 nan 0.000 0.462 209 I N -0.999 119.588 120.570 0.029 0.000 2.193 209 I HA -0.243 4.329 4.170 0.670 0.000 0.240 209 I C 2.694 178.846 176.117 0.058 0.000 1.084 209 I CA 0.448 61.770 61.300 0.037 0.000 1.365 209 I CB -0.449 37.579 38.000 0.048 0.000 1.064 209 I HN 0.259 nan 8.210 nan 0.000 0.410 210 M N 1.232 120.882 119.600 0.084 0.000 2.128 210 M HA -0.249 4.633 4.480 0.670 0.000 0.253 210 M C 2.508 178.830 176.300 0.036 0.000 1.079 210 M CA 2.022 57.378 55.300 0.094 0.000 1.082 210 M CB -1.188 31.493 32.600 0.135 0.000 1.335 210 M HN 0.270 nan 8.290 nan 0.000 0.401 211 S N -0.160 115.558 115.700 0.031 0.000 2.357 211 S HA -0.133 4.739 4.470 0.670 0.000 0.221 211 S C 1.621 176.219 174.600 -0.004 0.000 1.031 211 S CA 1.402 59.609 58.200 0.011 0.000 0.982 211 S CB -0.467 62.744 63.200 0.018 0.000 0.853 211 S HN 0.575 nan 8.310 nan 0.000 0.458 212 R N 1.516 122.018 120.500 0.003 0.000 2.154 212 R HA -0.115 4.627 4.340 0.670 0.000 0.248 212 R C 1.638 177.920 176.300 -0.029 0.000 1.155 212 R CA 1.789 57.887 56.100 -0.003 0.000 0.979 212 R CB -0.910 29.397 30.300 0.012 0.000 0.869 212 R HN 0.307 nan 8.270 nan 0.000 0.452 213 V N 0.996 120.871 119.914 -0.064 0.000 2.788 213 V HA -0.069 4.453 4.120 0.670 0.000 0.251 213 V C 2.405 178.426 176.094 -0.121 0.000 1.068 213 V CA 1.095 63.308 62.300 -0.145 0.000 1.090 213 V CB -0.344 31.286 31.823 -0.322 0.000 0.710 213 V HN 0.276 nan 8.190 nan 0.000 0.467 214 I N -0.061 120.462 120.570 -0.079 0.000 2.099 214 I HA -0.255 4.317 4.170 0.670 0.000 0.239 214 I C 2.578 178.672 176.117 -0.038 0.000 1.066 214 I CA 1.535 62.802 61.300 -0.056 0.000 1.324 214 I CB -0.401 37.578 38.000 -0.035 0.000 1.037 214 I HN 0.249 nan 8.210 nan 0.000 0.401 215 M N 0.393 119.977 119.600 -0.026 0.000 2.337 215 M HA -0.086 4.796 4.480 0.670 0.000 0.261 215 M C 1.232 177.523 176.300 -0.014 0.000 1.067 215 M CA 0.890 56.181 55.300 -0.015 0.000 1.074 215 M CB -1.743 30.852 32.600 -0.009 0.000 1.395 215 M HN 0.090 nan 8.290 nan 0.000 0.431 216 S N 1.398 117.083 115.700 -0.026 0.000 2.569 216 S HA 0.208 5.080 4.470 0.670 0.000 0.274 216 S C 0.418 175.015 174.600 -0.006 0.000 1.353 216 S CA 0.077 58.266 58.200 -0.019 0.000 1.023 216 S CB 0.721 63.894 63.200 -0.045 0.000 0.876 216 S HN 0.263 nan 8.310 nan 0.000 0.540 217 K N 0.917 121.324 120.400 0.010 0.000 2.543 217 K HA 0.476 5.198 4.320 0.670 0.000 0.255 217 K C -1.430 175.191 176.600 0.035 0.000 0.934 217 K CA -0.357 55.944 56.287 0.022 0.000 0.810 217 K CB 1.785 34.295 32.500 0.016 0.000 1.315 217 K HN 0.442 nan 8.250 nan 0.000 0.433 218 I N 2.846 123.444 120.570 0.047 0.000 2.389 218 I HA 0.162 4.734 4.170 0.670 0.000 0.288 218 I C -0.388 175.746 176.117 0.028 0.000 0.999 218 I CA -0.124 61.204 61.300 0.046 0.000 1.129 218 I CB 1.552 39.596 38.000 0.073 0.000 1.288 218 I HN 0.757 nan 8.210 nan 0.000 0.444 219 D N 4.444 124.853 120.400 0.016 0.000 2.876 219 D HA -0.159 4.883 4.640 0.670 0.000 0.196 219 D C 0.954 177.261 176.300 0.011 0.000 1.014 219 D CA 1.596 55.602 54.000 0.009 0.000 1.012 219 D CB -1.131 39.673 40.800 0.007 0.000 1.080 219 D HN 1.068 nan 8.370 nan 0.000 0.438 220 G N 0.585 109.394 108.800 0.015 0.000 2.184 220 G HA2 -0.261 4.101 3.960 0.670 0.000 0.206 220 G HA3 -0.261 4.101 3.960 0.670 0.000 0.206 220 G C -0.034 174.875 174.900 0.014 0.000 0.995 220 G CA 0.478 45.585 45.100 0.013 0.000 0.651 220 G HN 0.589 nan 8.290 nan 0.000 0.511 221 E N 0.791 121.002 120.200 0.018 0.000 2.238 221 E HA 0.688 5.440 4.350 0.670 0.000 0.267 221 E C 0.828 177.444 176.600 0.026 0.000 0.887 221 E CA -0.241 56.172 56.400 0.020 0.000 0.769 221 E CB 1.226 30.939 29.700 0.022 0.000 1.187 221 E HN 0.125 nan 8.360 nan 0.000 0.416 222 S N 1.694 117.408 115.700 0.022 0.000 2.775 222 S HA 0.059 4.931 4.470 0.670 0.000 0.250 222 S C -0.103 174.519 174.600 0.037 0.000 1.391 222 S CA -0.070 58.143 58.200 0.021 0.000 0.972 222 S CB 0.129 63.337 63.200 0.014 0.000 0.963 222 S HN 0.369 nan 8.310 nan 0.000 0.570 223 L N 0.460 121.702 121.223 0.032 0.000 2.341 223 L HA 0.457 5.199 4.340 0.670 0.000 0.267 223 L C 0.268 177.167 176.870 0.049 0.000 1.009 223 L CA -0.444 54.430 54.840 0.057 0.000 0.819 223 L CB 1.734 43.822 42.059 0.048 0.000 1.323 223 L HN 0.707 nan 8.230 nan 0.000 0.425 224 S N -0.752 114.993 115.700 0.075 0.000 2.592 224 S HA 0.178 5.050 4.470 0.670 0.000 0.271 224 S C 0.800 175.447 174.600 0.078 0.000 1.326 224 S CA -0.180 58.064 58.200 0.073 0.000 1.024 224 S CB 0.680 63.933 63.200 0.088 0.000 0.921 224 S HN 0.778 nan 8.310 nan 0.000 0.527 225 E N 0.243 120.487 120.200 0.074 0.000 2.478 225 E HA -0.136 4.616 4.350 0.670 0.000 0.198 225 E C 0.034 176.732 176.600 0.164 0.000 1.046 225 E CA 0.961 57.407 56.400 0.077 0.000 0.870 225 E CB -0.426 29.302 29.700 0.046 0.000 0.818 225 E HN 0.706 nan 8.360 nan 0.000 0.527 226 D N 0.804 121.342 120.400 0.230 0.000 2.363 226 D HA -0.038 5.004 4.640 0.670 0.000 0.226 226 D C 0.702 177.225 176.300 0.372 0.000 1.020 226 D CA 0.579 54.838 54.000 0.432 0.000 0.892 226 D CB 0.248 41.177 40.800 0.214 0.000 0.900 226 D HN 0.215 nan 8.370 nan 0.000 0.531 227 D N -0.989 119.542 120.400 0.219 0.000 2.454 227 D HA 0.117 5.159 4.640 0.670 0.000 0.219 227 D C 2.034 178.425 176.300 0.151 0.000 1.081 227 D CA 0.073 54.166 54.000 0.155 0.000 0.867 227 D CB 0.748 41.597 40.800 0.082 0.000 1.054 227 D HN 0.211 nan 8.370 nan 0.000 0.500 228 L N 0.581 121.859 121.223 0.092 0.000 2.102 228 L HA 0.107 4.849 4.340 0.670 0.000 0.202 228 L C 2.349 179.276 176.870 0.095 0.000 1.076 228 L CA 0.704 55.568 54.840 0.040 0.000 0.761 228 L CB -0.292 41.757 42.059 -0.017 0.000 0.921 228 L HN -0.103 nan 8.230 nan 0.000 0.444 229 I N 0.549 121.137 120.570 0.030 0.000 2.916 229 I HA -0.115 4.457 4.170 0.670 0.000 0.267 229 I C 2.403 178.514 176.117 -0.011 0.000 1.263 229 I CA 0.916 62.156 61.300 -0.100 0.000 1.471 229 I CB -0.590 37.208 38.000 -0.336 0.000 1.089 229 I HN 0.247 nan 8.210 nan 0.000 0.468 230 G N 0.519 109.407 108.800 0.148 0.000 2.411 230 G HA2 -0.147 4.215 3.960 0.670 0.000 0.213 230 G HA3 -0.147 4.215 3.960 0.670 0.000 0.213 230 G C 1.397 176.414 174.900 0.195 0.000 1.166 230 G CA 0.181 45.404 45.100 0.203 0.000 0.802 230 G HN 0.153 nan 8.290 nan 0.000 0.533 231 F N 0.284 120.252 119.950 0.030 0.000 2.039 231 F HA 0.103 5.032 4.527 0.669 0.000 0.294 231 F C 2.301 178.155 175.800 0.091 0.000 1.130 231 F CA 0.849 58.867 58.000 0.029 0.000 1.189 231 F CB -0.895 38.118 39.000 0.022 0.000 0.983 231 F HN 0.127 nan 8.300 nan 0.000 0.471 232 F N 1.149 121.215 119.950 0.193 0.000 2.063 232 F HA -0.417 4.514 4.527 0.673 0.000 0.296 232 F C 2.434 178.276 175.800 0.069 0.000 1.093 232 F CA 2.594 60.651 58.000 0.095 0.000 1.229 232 F CB -1.104 37.912 39.000 0.027 0.000 0.971 232 F HN -0.029 nan 8.300 nan 0.000 0.491 233 T N 1.566 116.237 114.554 0.196 0.000 2.622 233 T HA -0.239 4.513 4.350 0.670 0.000 0.266 233 T C 2.094 176.811 174.700 0.029 0.000 1.047 233 T CA 1.550 63.720 62.100 0.116 0.000 1.159 233 T CB -0.644 68.359 68.868 0.226 0.000 0.863 233 T HN 0.227 nan 8.240 nan 0.000 0.422 234 I N 1.161 121.741 120.570 0.016 0.000 2.185 234 I HA -0.147 4.425 4.170 0.670 0.000 0.246 234 I C 2.234 178.307 176.117 -0.073 0.000 1.088 234 I CA 1.574 62.846 61.300 -0.046 0.000 1.347 234 I CB -0.856 37.053 38.000 -0.151 0.000 1.041 234 I HN 0.290 nan 8.210 nan 0.000 0.415 235 L N -0.735 120.438 121.223 -0.084 0.000 2.044 235 L HA -0.181 4.561 4.340 0.670 0.000 0.205 235 L C 2.351 179.131 176.870 -0.150 0.000 1.075 235 L CA 0.614 55.402 54.840 -0.086 0.000 0.747 235 L CB -0.746 41.311 42.059 -0.004 0.000 0.903 235 L HN 0.202 nan 8.230 nan 0.000 0.435 236 L N -0.123 120.923 121.223 -0.295 0.000 2.549 236 L HA -0.152 4.590 4.340 0.670 0.000 0.230 236 L C 1.716 178.511 176.870 -0.126 0.000 1.162 236 L CA 1.391 56.031 54.840 -0.333 0.000 0.834 236 L CB -0.173 41.544 42.059 -0.570 0.000 0.947 236 L HN 0.192 nan 8.230 nan 0.000 0.452 237 L N -2.168 119.017 121.223 -0.064 0.000 2.672 237 L HA 0.466 5.208 4.340 0.670 0.000 0.236 237 L C 1.975 178.848 176.870 0.005 0.000 1.092 237 L CA 1.073 55.923 54.840 0.016 0.000 0.887 237 L CB -0.216 41.891 42.059 0.081 0.000 1.168 237 L HN 0.077 nan 8.230 nan 0.000 0.502 238 G N -0.504 108.275 108.800 -0.035 0.000 2.396 238 G HA2 0.006 4.369 3.960 0.670 0.000 0.214 238 G HA3 0.006 4.369 3.960 0.670 0.000 0.214 238 G C 1.058 175.937 174.900 -0.035 0.000 1.166 238 G CA 0.487 45.561 45.100 -0.044 0.000 0.793 238 G HN 0.477 nan 8.290 nan 0.000 0.533 239 G N -0.278 108.499 108.800 -0.038 0.000 4.486 239 G HA2 0.506 4.868 3.960 0.670 0.000 0.306 239 G HA3 0.506 4.868 3.960 0.670 0.000 0.306 239 G C 0.365 175.242 174.900 -0.038 0.000 1.331 239 G CA -0.250 44.831 45.100 -0.033 0.000 1.113 239 G HN 0.355 nan 8.290 nan 0.000 0.594 240 I N -1.813 118.741 120.570 -0.025 0.000 5.183 240 I HA 0.147 4.719 4.170 0.670 0.000 0.343 240 I C 1.238 177.354 176.117 -0.001 0.000 1.230 240 I CA 0.031 61.319 61.300 -0.020 0.000 1.473 240 I CB 0.937 38.923 38.000 -0.024 0.000 1.569 240 I HN 0.052 nan 8.210 nan 0.000 0.544 241 D N 1.535 121.942 120.400 0.011 0.000 2.628 241 D HA 0.171 5.213 4.640 0.670 0.000 0.258 241 D C 2.181 178.485 176.300 0.007 0.000 1.165 241 D CA 1.574 55.586 54.000 0.019 0.000 0.991 241 D CB 0.041 40.868 40.800 0.046 0.000 1.104 241 D HN 0.097 nan 8.370 nan 0.000 0.438 242 A N 0.094 122.921 122.820 0.012 0.000 1.884 242 A HA -0.253 4.469 4.320 0.670 0.000 0.219 242 A C 2.259 179.868 177.584 0.042 0.000 1.197 242 A CA 3.432 55.477 52.037 0.012 0.000 0.637 242 A CB -1.436 17.560 19.000 -0.006 0.000 0.827 242 A HN 0.453 nan 8.150 nan 0.000 0.450 243 T N 0.401 114.976 114.554 0.034 0.000 2.595 243 T HA -0.058 4.694 4.350 0.670 0.000 0.264 243 T C 2.212 176.946 174.700 0.057 0.000 1.058 243 T CA 2.110 64.255 62.100 0.075 0.000 1.166 243 T CB -1.004 67.883 68.868 0.031 0.000 0.863 243 T HN 0.770 nan 8.240 nan 0.000 0.415 244 A N 2.492 125.313 122.820 0.002 0.000 1.915 244 A HA -0.281 4.441 4.320 0.670 0.000 0.220 244 A C 2.470 180.018 177.584 -0.059 0.000 1.198 244 A CA 1.871 53.887 52.037 -0.035 0.000 0.647 244 A CB -0.592 18.382 19.000 -0.044 0.000 0.825 244 A HN 0.318 nan 8.150 nan 0.000 0.456 245 R N -1.722 118.749 120.500 -0.049 0.000 2.075 245 R HA -0.100 4.642 4.340 0.670 0.000 0.230 245 R C 2.078 178.352 176.300 -0.044 0.000 1.140 245 R CA 1.459 57.502 56.100 -0.096 0.000 0.928 245 R CB -1.440 28.790 30.300 -0.118 0.000 0.834 245 R HN 0.651 nan 8.270 nan 0.000 0.429 246 F N 1.985 121.873 119.950 -0.102 0.000 2.048 246 F HA -0.324 4.622 4.527 0.697 0.000 0.296 246 F C 2.266 177.976 175.800 -0.151 0.000 1.109 246 F CA 1.718 59.677 58.000 -0.068 0.000 1.214 246 F CB -0.278 38.696 39.000 -0.045 0.000 0.963 246 F HN -0.068 nan 8.300 nan 0.000 0.491 247 L N -0.472 120.531 121.223 -0.367 0.000 2.046 247 L HA -0.254 4.488 4.340 0.670 0.000 0.208 247 L C 2.504 179.024 176.870 -0.584 0.000 1.077 247 L CA 1.451 55.893 54.840 -0.663 0.000 0.747 247 L CB -1.065 40.730 42.059 -0.440 0.000 0.896 247 L HN 0.121 nan 8.230 nan 0.000 0.432 248 S N -0.505 115.041 115.700 -0.257 0.000 2.402 248 S HA -0.198 4.674 4.470 0.670 0.000 0.233 248 S C 2.214 176.758 174.600 -0.093 0.000 1.030 248 S CA 1.594 59.733 58.200 -0.101 0.000 1.003 248 S CB -0.174 62.961 63.200 -0.108 0.000 0.813 248 S HN 0.370 nan 8.310 nan 0.000 0.477 249 S N 0.931 116.495 115.700 -0.226 0.000 2.348 249 S HA -0.063 4.809 4.470 0.670 0.000 0.219 249 S C 2.285 176.665 174.600 -0.368 0.000 1.033 249 S CA 1.175 59.233 58.200 -0.238 0.000 0.974 249 S CB -0.461 62.569 63.200 -0.282 0.000 0.868 249 S HN 0.570 nan 8.310 nan 0.000 0.459 250 V N -0.092 119.457 119.914 -0.607 0.000 2.594 250 V HA -0.104 4.418 4.120 0.670 0.000 0.253 250 V C 1.688 177.608 176.094 -0.290 0.000 1.069 250 V CA 1.640 63.626 62.300 -0.524 0.000 1.082 250 V CB -1.246 30.178 31.823 -0.665 0.000 0.680 250 V HN 0.506 nan 8.190 nan 0.000 0.469 251 F N -0.785 119.049 119.950 -0.193 0.000 2.163 251 F HA -0.003 4.598 4.527 0.123 0.000 0.297 251 F C 2.236 178.075 175.800 0.065 0.000 1.094 251 F CA 1.388 59.309 58.000 -0.132 0.000 1.290 251 F CB -0.364 38.465 39.000 -0.285 0.000 1.017 251 F HN 0.401 nan 8.300 nan 0.000 0.483 252 W N 1.522 122.882 121.300 0.100 0.000 2.465 252 W HA -0.131 4.925 4.660 0.659 0.000 0.268 252 W C 2.349 178.885 176.519 0.028 0.000 1.242 252 W CA 0.952 58.380 57.345 0.138 0.000 1.248 252 W CB -0.124 29.422 29.460 0.143 0.000 1.118 252 W HN -0.229 nan 8.180 nan 0.000 0.587 253 R N 0.568 120.962 120.500 -0.177 0.000 2.127 253 R HA 0.053 4.795 4.340 0.670 0.000 0.217 253 R C 1.828 177.708 176.300 -0.700 0.000 1.074 253 R CA 1.578 57.301 56.100 -0.628 0.000 0.991 253 R CB -0.891 29.197 30.300 -0.354 0.000 0.895 253 R HN 0.349 nan 8.270 nan 0.000 0.450 254 L N -0.247 120.839 121.223 -0.228 0.000 2.558 254 L HA 0.262 5.004 4.340 0.670 0.000 0.225 254 L C 1.989 178.806 176.870 -0.089 0.000 1.128 254 L CA 0.580 55.385 54.840 -0.058 0.000 0.868 254 L CB -0.300 41.959 42.059 0.333 0.000 1.006 254 L HN 0.182 nan 8.230 nan 0.000 0.454 255 A N 0.965 123.769 122.820 -0.025 0.000 1.929 255 A HA -0.149 4.573 4.320 0.670 0.000 0.216 255 A C 2.024 179.469 177.584 -0.231 0.000 1.176 255 A CA 1.221 53.206 52.037 -0.087 0.000 0.628 255 A CB -0.404 18.723 19.000 0.212 0.000 0.816 255 A HN 0.710 nan 8.150 nan 0.000 0.444 256 W N -1.690 119.437 121.300 -0.288 0.000 2.866 256 W HA 0.237 5.312 4.660 0.691 0.000 0.258 256 W C -0.181 176.208 176.519 -0.217 0.000 1.183 256 W CA 0.478 57.666 57.345 -0.262 0.000 1.451 256 W CB -0.254 29.029 29.460 -0.296 0.000 0.959 256 W HN 0.237 nan 8.180 nan 0.000 0.622 257 D N 4.067 123.953 120.400 -0.857 0.000 2.745 257 D HA -0.006 5.036 4.640 0.670 0.000 0.229 257 D C 1.977 178.097 176.300 -0.300 0.000 1.088 257 D CA 0.201 53.792 54.000 -0.682 0.000 1.054 257 D CB -0.592 39.560 40.800 -1.080 0.000 1.132 257 D HN 0.412 nan 8.370 nan 0.000 0.464 258 I N -1.839 118.642 120.570 -0.149 0.000 2.399 258 I HA -0.238 4.334 4.170 0.670 0.000 0.254 258 I C 1.858 177.923 176.117 -0.087 0.000 1.146 258 I CA 1.169 62.394 61.300 -0.125 0.000 1.412 258 I CB -0.259 37.694 38.000 -0.078 0.000 1.076 258 I HN 0.113 nan 8.210 nan 0.000 0.432 259 E N 1.193 121.357 120.200 -0.060 0.000 2.110 259 E HA -0.245 4.507 4.350 0.670 0.000 0.193 259 E C 2.178 178.742 176.600 -0.060 0.000 0.988 259 E CA 1.405 57.781 56.400 -0.039 0.000 0.804 259 E CB -0.029 29.663 29.700 -0.013 0.000 0.745 259 E HN 0.576 nan 8.360 nan 0.000 0.458 260 L N 0.791 121.948 121.223 -0.109 0.000 2.162 260 L HA -0.007 4.735 4.340 0.670 0.000 0.205 260 L C 2.381 179.207 176.870 -0.074 0.000 1.086 260 L CA 1.302 56.079 54.840 -0.106 0.000 0.778 260 L CB -0.403 41.550 42.059 -0.177 0.000 0.928 260 L HN -0.027 nan 8.230 nan 0.000 0.446 261 R N 0.529 120.971 120.500 -0.095 0.000 2.088 261 R HA -0.219 4.523 4.340 0.670 0.000 0.232 261 R C 2.462 178.747 176.300 -0.025 0.000 1.136 261 R CA 2.150 58.223 56.100 -0.046 0.000 0.926 261 R CB -0.377 29.861 30.300 -0.103 0.000 0.837 261 R HN 0.539 nan 8.270 nan 0.000 0.429 262 R N 0.159 120.633 120.500 -0.043 0.000 2.127 262 R HA -0.159 4.583 4.340 0.670 0.000 0.238 262 R C 2.267 178.561 176.300 -0.010 0.000 1.134 262 R CA 1.944 58.027 56.100 -0.028 0.000 0.975 262 R CB -0.556 29.724 30.300 -0.033 0.000 0.865 262 R HN 0.159 nan 8.270 nan 0.000 0.447 263 R N 0.707 121.205 120.500 -0.003 0.000 2.115 263 R HA 0.046 4.788 4.340 0.670 0.000 0.226 263 R C 2.113 178.445 176.300 0.053 0.000 1.100 263 R CA 1.044 57.161 56.100 0.028 0.000 0.980 263 R CB -0.065 30.247 30.300 0.021 0.000 0.875 263 R HN 0.325 nan 8.270 nan 0.000 0.445 264 L N 0.083 121.327 121.223 0.035 0.000 2.095 264 L HA -0.063 4.679 4.340 0.670 0.000 0.204 264 L C 2.307 179.204 176.870 0.046 0.000 1.080 264 L CA 0.788 55.660 54.840 0.052 0.000 0.759 264 L CB -0.241 41.845 42.059 0.045 0.000 0.914 264 L HN 0.215 nan 8.230 nan 0.000 0.439 265 I N 0.273 120.857 120.570 0.023 0.000 2.315 265 I HA -0.302 4.270 4.170 0.670 0.000 0.251 265 I C 1.895 178.000 176.117 -0.019 0.000 1.125 265 I CA 1.356 62.658 61.300 0.002 0.000 1.392 265 I CB -0.125 37.869 38.000 -0.010 0.000 1.065 265 I HN 0.228 nan 8.210 nan 0.000 0.424 266 A N -1.570 121.233 122.820 -0.028 0.000 2.545 266 A HA 0.189 4.911 4.320 0.670 0.000 0.277 266 A C 0.015 177.470 177.584 -0.216 0.000 1.301 266 A CA 0.085 52.051 52.037 -0.117 0.000 0.935 266 A CB -0.162 18.759 19.000 -0.132 0.000 1.093 266 A HN 0.428 nan 8.150 nan 0.000 0.519 267 H N -1.161 117.911 119.070 0.003 0.000 3.225 267 H HA 0.136 5.092 4.556 0.666 0.000 0.316 267 H C -2.783 172.552 175.328 0.011 0.000 1.462 267 H CA -0.787 55.264 56.048 0.006 0.000 1.491 267 H CB 0.632 30.397 29.762 0.005 0.000 2.294 267 H HN 0.115 nan 8.280 nan 0.000 0.687 268 P HA -0.085 nan 4.420 nan 0.000 0.229 268 P C 1.622 178.971 177.300 0.081 0.000 1.160 268 P CA 0.682 63.833 63.100 0.086 0.000 0.777 268 P CB 0.412 32.147 31.700 0.058 0.000 0.814 269 E N -0.149 120.110 120.200 0.098 0.000 2.209 269 E HA -0.170 4.582 4.350 0.670 0.000 0.196 269 E C 1.271 177.896 176.600 0.043 0.000 0.993 269 E CA 1.194 57.632 56.400 0.064 0.000 0.819 269 E CB -0.918 28.819 29.700 0.061 0.000 0.745 269 E HN 0.191 nan 8.360 nan 0.000 0.477 270 L N 0.862 122.110 121.223 0.042 0.000 2.270 270 L HA 0.099 4.841 4.340 0.670 0.000 0.210 270 L C 2.387 179.282 176.870 0.042 0.000 1.104 270 L CA 0.634 55.488 54.840 0.024 0.000 0.804 270 L CB -0.486 41.573 42.059 0.001 0.000 0.937 270 L HN 0.103 nan 8.230 nan 0.000 0.450 271 I N 0.894 121.497 120.570 0.054 0.000 2.143 271 I HA -0.316 4.256 4.170 0.670 0.000 0.245 271 I C -0.272 175.880 176.117 0.058 0.000 1.068 271 I CA 1.870 63.203 61.300 0.054 0.000 1.326 271 I CB -1.277 36.758 38.000 0.057 0.000 1.028 271 I HN 0.268 nan 8.210 nan 0.000 0.412 272 P HA -0.178 nan 4.420 nan 0.000 0.214 272 P C 1.128 178.472 177.300 0.073 0.000 1.163 272 P CA 1.946 65.088 63.100 0.070 0.000 0.883 272 P CB -0.154 31.587 31.700 0.069 0.000 0.788 273 N N 0.376 119.112 118.700 0.059 0.000 2.039 273 N HA -0.114 5.028 4.740 0.670 0.000 0.193 273 N C 1.956 177.501 175.510 0.060 0.000 1.044 273 N CA 1.815 54.900 53.050 0.058 0.000 0.847 273 N CB -1.007 37.505 38.487 0.040 0.000 1.030 273 N HN 0.006 nan 8.380 nan 0.000 0.422 274 A N -0.271 122.578 122.820 0.048 0.000 2.234 274 A HA -0.058 4.664 4.320 0.670 0.000 0.216 274 A C 2.152 179.775 177.584 0.065 0.000 1.167 274 A CA 0.807 52.870 52.037 0.044 0.000 0.698 274 A CB -0.602 18.415 19.000 0.029 0.000 0.779 274 A HN 0.230 nan 8.150 nan 0.000 0.475 275 V N -0.362 119.602 119.914 0.083 0.000 2.719 275 V HA -0.173 4.349 4.120 0.670 0.000 0.252 275 V C 1.816 177.997 176.094 0.145 0.000 1.065 275 V CA 2.298 64.673 62.300 0.125 0.000 1.086 275 V CB -0.352 31.546 31.823 0.124 0.000 0.700 275 V HN 0.592 nan 8.190 nan 0.000 0.467 276 D N -0.687 119.769 120.400 0.094 0.000 2.194 276 D HA -0.130 4.912 4.640 0.670 0.000 0.204 276 D C 2.086 178.321 176.300 -0.107 0.000 0.964 276 D CA 0.778 54.802 54.000 0.041 0.000 0.846 276 D CB 0.079 40.958 40.800 0.131 0.000 0.962 276 D HN 0.416 nan 8.370 nan 0.000 0.490 277 E N 0.138 120.330 120.200 -0.013 0.000 2.208 277 E HA -0.034 4.718 4.350 0.670 0.000 0.193 277 E C 1.702 178.318 176.600 0.027 0.000 0.988 277 E CA 0.630 57.016 56.400 -0.023 0.000 0.828 277 E CB -0.103 29.606 29.700 0.015 0.000 0.763 277 E HN 0.269 nan 8.360 nan 0.000 0.478 278 L N -0.143 121.152 121.223 0.119 0.000 2.179 278 L HA -0.035 4.707 4.340 0.670 0.000 0.208 278 L C 2.194 179.328 176.870 0.441 0.000 1.096 278 L CA 0.516 55.540 54.840 0.307 0.000 0.779 278 L CB -0.208 42.026 42.059 0.291 0.000 0.922 278 L HN 0.248 nan 8.230 nan 0.000 0.443 279 L N -0.503 120.839 121.223 0.198 0.000 2.093 279 L HA -0.197 4.545 4.340 0.670 0.000 0.208 279 L C 2.824 179.603 176.870 -0.152 0.000 1.085 279 L CA 1.116 55.929 54.840 -0.045 0.000 0.755 279 L CB -0.409 41.526 42.059 -0.206 0.000 0.904 279 L HN 0.233 nan 8.230 nan 0.000 0.435 280 R N -0.428 119.837 120.500 -0.393 0.000 2.066 280 R HA -0.196 4.546 4.340 0.670 0.000 0.232 280 R C 2.332 178.530 176.300 -0.169 0.000 1.131 280 R CA 1.693 57.589 56.100 -0.341 0.000 0.955 280 R CB -0.317 29.738 30.300 -0.409 0.000 0.851 280 R HN 0.202 nan 8.270 nan 0.000 0.432 281 F N -0.524 119.291 119.950 -0.224 0.000 2.367 281 F HA -0.054 4.874 4.527 0.669 0.000 0.298 281 F C 0.597 176.150 175.800 -0.412 0.000 1.094 281 F CA 0.987 58.773 58.000 -0.357 0.000 1.409 281 F CB 0.379 39.127 39.000 -0.420 0.000 1.064 281 F HN 0.037 nan 8.300 nan 0.000 0.528 282 Y N -0.472 120.074 120.300 0.409 0.000 2.716 282 Y HA 0.367 5.325 4.550 0.681 0.000 0.260 282 Y C 0.940 177.110 175.900 0.451 0.000 1.141 282 Y CA -0.849 57.557 58.100 0.510 0.000 1.168 282 Y CB 0.017 38.796 38.460 0.532 0.000 1.189 282 Y HN -0.140 nan 8.280 nan 0.000 0.549 283 G N 2.798 111.788 108.800 0.316 0.000 2.389 283 G HA2 0.140 4.502 3.960 0.670 0.000 0.287 283 G HA3 0.140 4.502 3.960 0.670 0.000 0.287 283 G C -1.275 173.739 174.900 0.190 0.000 1.126 283 G CA -0.737 44.459 45.100 0.159 0.000 1.073 283 G HN 0.125 nan 8.290 nan 0.000 0.429 284 P HA 0.047 nan 4.420 nan 0.000 0.233 284 P C 0.882 178.222 177.300 0.067 0.000 1.167 284 P CA 0.387 63.562 63.100 0.125 0.000 0.770 284 P CB 0.459 32.203 31.700 0.072 0.000 0.837 285 A N 0.981 123.841 122.820 0.066 0.000 2.454 285 A HA 0.472 5.194 4.320 0.670 0.000 0.260 285 A C 0.075 177.762 177.584 0.172 0.000 1.106 285 A CA 0.098 52.187 52.037 0.088 0.000 0.780 285 A CB -0.454 18.584 19.000 0.064 0.000 1.044 285 A HN 0.222 nan 8.150 nan 0.000 0.498 286 M N 3.937 123.576 119.600 0.065 0.000 2.277 286 M HA 0.495 5.377 4.480 0.670 0.000 0.282 286 M C -1.064 175.150 176.300 -0.144 0.000 1.074 286 M CA -0.539 54.706 55.300 -0.091 0.000 0.954 286 M CB 1.970 34.410 32.600 -0.267 0.000 1.672 286 M HN 0.819 nan 8.290 nan 0.000 0.471 287 V N 1.345 121.111 119.914 -0.246 0.000 3.155 287 V HA 1.134 5.656 4.120 0.670 0.000 0.313 287 V C -0.492 175.453 176.094 -0.248 0.000 1.162 287 V CA -0.270 61.908 62.300 -0.203 0.000 1.048 287 V CB 1.754 33.505 31.823 -0.121 0.000 1.092 287 V HN 0.892 nan 8.190 nan 0.000 0.447 288 G N 0.336 109.023 108.800 -0.189 0.000 2.733 288 G HA2 0.810 5.172 3.960 0.670 0.000 0.288 288 G HA3 0.810 5.172 3.960 0.670 0.000 0.288 288 G C -1.434 173.368 174.900 -0.163 0.000 1.373 288 G CA -1.027 43.958 45.100 -0.191 0.000 0.895 288 G HN 0.739 nan 8.290 nan 0.000 0.479 289 R N -1.323 119.098 120.500 -0.131 0.000 2.905 289 R HA 0.639 5.381 4.340 0.670 0.000 0.260 289 R C -1.696 174.604 176.300 0.001 0.000 1.086 289 R CA -0.954 55.125 56.100 -0.035 0.000 0.978 289 R CB 1.873 32.188 30.300 0.026 0.000 1.215 289 R HN 0.437 nan 8.270 nan 0.000 0.480 290 L N 0.870 122.132 121.223 0.066 0.000 2.349 290 L HA 0.390 5.132 4.340 0.670 0.000 0.278 290 L C -0.963 175.943 176.870 0.060 0.000 0.996 290 L CA -0.647 54.217 54.840 0.040 0.000 0.825 290 L CB 1.919 43.984 42.059 0.010 0.000 1.243 290 L HN 0.287 nan 8.230 nan 0.000 0.412 291 V N 4.431 124.369 119.914 0.040 0.000 2.446 291 V HA 0.171 4.693 4.120 0.670 0.000 0.276 291 V C 1.331 177.364 176.094 -0.102 0.000 1.030 291 V CA 0.698 62.940 62.300 -0.097 0.000 1.033 291 V CB 0.488 32.282 31.823 -0.047 0.000 0.993 291 V HN 0.970 nan 8.190 nan 0.000 0.477 292 T N 1.027 115.478 114.554 -0.172 0.000 3.023 292 T HA 0.281 5.034 4.350 0.670 0.000 0.253 292 T C 0.280 174.907 174.700 -0.120 0.000 1.038 292 T CA 0.066 62.099 62.100 -0.111 0.000 0.962 292 T CB 0.079 68.894 68.868 -0.087 0.000 1.018 292 T HN 0.796 nan 8.240 nan 0.000 0.521 293 Q N -0.062 119.631 119.800 -0.178 0.000 2.503 293 Q HA 0.369 5.111 4.340 0.670 0.000 0.268 293 Q C -1.747 174.150 176.000 -0.171 0.000 0.982 293 Q CA -0.919 54.798 55.803 -0.144 0.000 0.907 293 Q CB 0.622 29.283 28.738 -0.127 0.000 1.467 293 Q HN 0.201 nan 8.270 nan 0.000 0.394 294 E N 1.004 121.136 120.200 -0.113 0.000 2.652 294 E HA 0.178 4.931 4.350 0.670 0.000 0.255 294 E C -0.793 175.730 176.600 -0.130 0.000 0.952 294 E CA 0.516 56.854 56.400 -0.104 0.000 0.947 294 E CB 1.058 30.719 29.700 -0.066 0.000 0.912 294 E HN 0.404 nan 8.360 nan 0.000 0.489 295 V N 3.090 122.916 119.914 -0.146 0.000 3.048 295 V HA 0.292 4.814 4.120 0.670 0.000 0.303 295 V C -1.080 174.951 176.094 -0.106 0.000 1.214 295 V CA -0.464 61.756 62.300 -0.133 0.000 0.984 295 V CB 2.896 34.599 31.823 -0.201 0.000 1.054 295 V HN 0.652 nan 8.190 nan 0.000 0.430 296 T N 4.925 119.434 114.554 -0.074 0.000 2.770 296 T HA 0.578 5.330 4.350 0.670 0.000 0.283 296 T C -0.757 173.909 174.700 -0.057 0.000 0.988 296 T CA -0.255 61.797 62.100 -0.079 0.000 0.957 296 T CB 1.286 70.115 68.868 -0.065 0.000 0.930 296 T HN 0.555 nan 8.240 nan 0.000 0.443 297 V N 3.973 123.837 119.914 -0.084 0.000 2.313 297 V HA 0.593 5.115 4.120 0.670 0.000 0.278 297 V C 1.289 177.332 176.094 -0.085 0.000 1.017 297 V CA 0.353 62.612 62.300 -0.068 0.000 0.823 297 V CB 0.315 32.096 31.823 -0.070 0.000 1.010 297 V HN 1.195 nan 8.190 nan 0.000 0.443 298 G N 4.386 113.151 108.800 -0.059 0.000 4.825 298 G HA2 -0.290 4.072 3.960 0.670 0.000 0.224 298 G HA3 -0.290 4.072 3.960 0.670 0.000 0.224 298 G C 0.443 175.311 174.900 -0.053 0.000 1.356 298 G CA 0.835 45.904 45.100 -0.052 0.000 0.966 298 G HN 0.636 nan 8.290 nan 0.000 0.690 299 D N -0.589 119.768 120.400 -0.071 0.000 2.489 299 D HA 0.217 5.259 4.640 0.670 0.000 0.343 299 D C 0.127 176.379 176.300 -0.080 0.000 1.295 299 D CA -0.119 53.844 54.000 -0.061 0.000 0.908 299 D CB 0.889 41.661 40.800 -0.046 0.000 1.382 299 D HN 0.371 nan 8.370 nan 0.000 0.468 300 I N 1.532 122.023 120.570 -0.133 0.000 2.648 300 I HA 0.331 4.903 4.170 0.670 0.000 0.304 300 I C 0.269 176.247 176.117 -0.232 0.000 1.009 300 I CA -0.071 61.107 61.300 -0.203 0.000 1.114 300 I CB 1.871 39.639 38.000 -0.386 0.000 1.293 300 I HN -0.307 nan 8.210 nan 0.000 0.449 301 T N 6.172 120.604 114.554 -0.204 0.000 2.807 301 T HA 0.624 5.376 4.350 0.670 0.000 0.279 301 T C -0.133 174.463 174.700 -0.173 0.000 0.993 301 T CA -0.565 61.439 62.100 -0.159 0.000 0.970 301 T CB 1.482 70.306 68.868 -0.073 0.000 0.950 301 T HN 0.339 nan 8.240 nan 0.000 0.441 302 M N 3.323 122.809 119.600 -0.190 0.000 2.243 302 M HA 0.406 5.288 4.480 0.670 0.000 0.324 302 M C -0.215 176.071 176.300 -0.022 0.000 1.031 302 M CA -0.841 54.399 55.300 -0.100 0.000 0.949 302 M CB 1.901 34.349 32.600 -0.253 0.000 1.615 302 M HN 0.308 nan 8.290 nan 0.000 0.430 303 K N 3.974 124.419 120.400 0.076 0.000 2.172 303 K HA 0.463 5.185 4.320 0.670 0.000 0.276 303 K C -2.514 174.114 176.600 0.046 0.000 1.013 303 K CA -1.760 54.550 56.287 0.038 0.000 0.913 303 K CB 0.561 33.091 32.500 0.051 0.000 1.055 303 K HN 0.327 nan 8.250 nan 0.000 0.461 304 P HA -0.142 nan 4.420 nan 0.000 0.264 304 P C 0.554 177.877 177.300 0.038 0.000 1.183 304 P CA 0.908 64.003 63.100 -0.009 0.000 0.763 304 P CB 0.663 32.342 31.700 -0.035 0.000 0.807 305 G N 2.038 110.868 108.800 0.050 0.000 2.352 305 G HA2 -0.153 4.209 3.960 0.670 0.000 0.204 305 G HA3 -0.153 4.209 3.960 0.670 0.000 0.204 305 G C -0.006 174.963 174.900 0.115 0.000 1.004 305 G CA -0.364 44.780 45.100 0.074 0.000 0.648 305 G HN 0.597 nan 8.290 nan 0.000 0.491 306 Q N 0.655 120.553 119.800 0.162 0.000 2.212 306 Q HA 0.669 5.411 4.340 0.670 0.000 0.238 306 Q C -0.532 175.562 176.000 0.157 0.000 0.955 306 Q CA -0.062 55.881 55.803 0.234 0.000 0.906 306 Q CB 1.353 30.345 28.738 0.424 0.000 1.215 306 Q HN 0.149 nan 8.270 nan 0.000 0.478 307 T N 0.531 115.128 114.554 0.072 0.000 2.856 307 T HA 0.645 5.397 4.350 0.670 0.000 0.283 307 T C -1.147 173.536 174.700 -0.029 0.000 1.008 307 T CA -0.693 61.308 62.100 -0.165 0.000 0.997 307 T CB 1.403 69.782 68.868 -0.815 0.000 0.992 307 T HN 0.618 nan 8.240 nan 0.000 0.454 308 A N 3.952 126.769 122.820 -0.005 0.000 2.291 308 A HA 0.686 5.408 4.320 0.670 0.000 0.311 308 A C -0.170 177.407 177.584 -0.012 0.000 1.224 308 A CA -0.753 51.361 52.037 0.127 0.000 0.821 308 A CB 0.454 19.554 19.000 0.166 0.000 1.172 308 A HN 0.665 nan 8.150 nan 0.000 0.494 309 M N 2.770 122.428 119.600 0.097 0.000 2.162 309 M HA 0.267 5.149 4.480 0.670 0.000 0.356 309 M C -0.587 175.782 176.300 0.115 0.000 1.303 309 M CA -0.193 55.151 55.300 0.073 0.000 1.116 309 M CB 0.447 33.199 32.600 0.252 0.000 1.632 309 M HN 0.560 nan 8.290 nan 0.000 0.469 310 L N 3.806 124.955 121.223 -0.123 0.000 2.288 310 L HA 0.177 4.919 4.340 0.670 0.000 0.283 310 L C -0.645 175.995 176.870 -0.383 0.000 1.072 310 L CA -0.394 54.276 54.840 -0.282 0.000 0.862 310 L CB 0.292 42.019 42.059 -0.553 0.000 1.245 310 L HN 0.629 nan 8.230 nan 0.000 0.432 311 W N 3.964 125.066 121.300 -0.330 0.000 1.828 311 W HA 0.180 5.244 4.660 0.673 0.000 0.470 311 W C 1.057 177.448 176.519 -0.214 0.000 0.786 311 W CA -0.401 56.793 57.345 -0.251 0.000 1.816 311 W CB -0.693 28.684 29.460 -0.139 0.000 1.798 311 W HN 0.474 nan 8.180 nan 0.000 0.252 312 F N 2.388 122.329 119.950 -0.015 0.000 2.091 312 F HA -0.264 4.666 4.527 0.671 0.000 0.299 312 F C 0.115 175.850 175.800 -0.107 0.000 1.103 312 F CA 1.013 58.994 58.000 -0.032 0.000 1.228 312 F CB -1.788 37.186 39.000 -0.042 0.000 0.984 312 F HN 0.084 nan 8.300 nan 0.000 0.477 313 P HA -0.229 nan 4.420 nan 0.000 0.217 313 P C 1.517 178.624 177.300 -0.322 0.000 1.151 313 P CA 1.468 64.374 63.100 -0.322 0.000 0.849 313 P CB -0.095 31.118 31.700 -0.811 0.000 0.787 314 I N -1.220 119.229 120.570 -0.201 0.000 2.406 314 I HA -0.038 4.534 4.170 0.670 0.000 0.249 314 I C 2.024 178.152 176.117 0.019 0.000 1.122 314 I CA 1.046 62.300 61.300 -0.077 0.000 1.431 314 I CB -1.911 36.101 38.000 0.020 0.000 1.087 314 I HN -0.109 nan 8.210 nan 0.000 0.424 315 A N -0.295 122.592 122.820 0.112 0.000 2.238 315 A HA 0.076 4.798 4.320 0.670 0.000 0.208 315 A C 2.089 179.792 177.584 0.197 0.000 1.177 315 A CA 0.501 52.674 52.037 0.226 0.000 0.804 315 A CB -0.363 18.840 19.000 0.339 0.000 0.823 315 A HN 0.300 nan 8.150 nan 0.000 0.482 316 S N -0.678 115.020 115.700 -0.003 0.000 2.556 316 S HA 0.146 5.018 4.470 0.670 0.000 0.216 316 S C 1.295 175.613 174.600 -0.470 0.000 0.970 316 S CA -0.058 57.986 58.200 -0.260 0.000 0.912 316 S CB 0.046 63.099 63.200 -0.244 0.000 0.790 316 S HN 0.624 nan 8.310 nan 0.000 0.504 317 R N 0.721 121.086 120.500 -0.225 0.000 2.535 317 R HA 0.181 4.923 4.340 0.670 0.000 0.323 317 R C -0.625 175.666 176.300 -0.015 0.000 0.979 317 R CA -0.215 55.780 56.100 -0.174 0.000 1.120 317 R CB 0.400 30.604 30.300 -0.160 0.000 1.306 317 R HN 0.138 nan 8.270 nan 0.000 0.540 318 D N 1.656 122.096 120.400 0.065 0.000 2.401 318 D HA -0.001 5.041 4.640 0.670 0.000 0.254 318 D C 0.822 177.206 176.300 0.139 0.000 1.192 318 D CA 0.320 54.393 54.000 0.121 0.000 0.885 318 D CB 0.870 41.778 40.800 0.179 0.000 1.147 318 D HN 0.077 nan 8.370 nan 0.000 0.478 319 R N 1.411 121.969 120.500 0.097 0.000 2.189 319 R HA -0.073 4.669 4.340 0.670 0.000 0.223 319 R C 1.395 177.728 176.300 0.055 0.000 1.092 319 R CA 0.687 56.837 56.100 0.084 0.000 0.989 319 R CB -0.034 30.304 30.300 0.063 0.000 0.876 319 R HN 0.351 nan 8.270 nan 0.000 0.457 320 S N -0.812 114.918 115.700 0.051 0.000 2.767 320 S HA 0.417 5.289 4.470 0.670 0.000 0.253 320 S C 0.744 175.328 174.600 -0.026 0.000 1.082 320 S CA 0.084 58.300 58.200 0.026 0.000 1.148 320 S CB 0.922 64.155 63.200 0.054 0.000 0.808 320 S HN 0.307 nan 8.310 nan 0.000 0.466 321 A N 0.085 122.833 122.820 -0.120 0.000 2.461 321 A HA 0.463 5.185 4.320 0.670 0.000 0.149 321 A C -0.351 176.776 177.584 -0.761 0.000 1.814 321 A CA -0.230 51.537 52.037 -0.449 0.000 1.337 321 A CB 0.346 18.901 19.000 -0.741 0.000 1.556 321 A HN 0.455 nan 8.150 nan 0.000 0.392 322 F N 2.045 121.910 119.950 -0.142 0.000 2.557 322 F HA 0.445 5.374 4.527 0.671 0.000 0.316 322 F C -0.813 174.963 175.800 -0.041 0.000 1.141 322 F CA -1.073 56.873 58.000 -0.091 0.000 0.922 322 F CB 1.482 40.426 39.000 -0.093 0.000 1.194 322 F HN -0.026 nan 8.300 nan 0.000 0.443 323 D N 1.787 122.252 120.400 0.108 0.000 2.389 323 D HA 0.046 5.088 4.640 0.670 0.000 0.247 323 D C 0.311 176.674 176.300 0.104 0.000 1.128 323 D CA 0.432 54.478 54.000 0.077 0.000 0.884 323 D CB 1.276 42.102 40.800 0.042 0.000 1.194 323 D HN 0.616 nan 8.370 nan 0.000 0.441 324 S N 2.191 117.940 115.700 0.082 0.000 3.378 324 S HA -0.125 4.747 4.470 0.670 0.000 0.365 324 S C -1.182 173.478 174.600 0.100 0.000 0.951 324 S CA -0.151 58.097 58.200 0.079 0.000 1.274 324 S CB -0.379 62.858 63.200 0.061 0.000 0.915 324 S HN 0.536 nan 8.310 nan 0.000 0.513 325 P HA -0.119 nan 4.420 nan 0.000 0.218 325 P C 0.583 177.974 177.300 0.151 0.000 1.146 325 P CA 1.084 64.238 63.100 0.090 0.000 0.813 325 P CB 0.043 31.771 31.700 0.047 0.000 0.778 326 D N -0.408 120.092 120.400 0.165 0.000 2.324 326 D HA 0.055 5.097 4.640 0.670 0.000 0.235 326 D C 0.024 176.461 176.300 0.229 0.000 1.095 326 D CA 0.437 54.603 54.000 0.277 0.000 0.871 326 D CB -0.466 40.437 40.800 0.172 0.000 0.906 326 D HN 0.315 nan 8.370 nan 0.000 0.522 327 N N -0.053 118.712 118.700 0.109 0.000 2.272 327 N HA 0.305 5.447 4.740 0.670 0.000 0.305 327 N C -0.587 174.841 175.510 -0.137 0.000 1.103 327 N CA -0.653 52.369 53.050 -0.046 0.000 0.791 327 N CB 2.010 40.497 38.487 -0.001 0.000 1.356 327 N HN -0.194 nan 8.380 nan 0.000 0.486 328 I N 1.810 122.221 120.570 -0.265 0.000 2.308 328 I HA 0.174 4.746 4.170 0.670 0.000 0.293 328 I C -0.338 175.725 176.117 -0.090 0.000 1.078 328 I CA -0.452 60.715 61.300 -0.222 0.000 1.292 328 I CB -0.133 37.703 38.000 -0.273 0.000 1.423 328 I HN 0.223 nan 8.210 nan 0.000 0.493 329 V N 7.583 127.477 119.914 -0.033 0.000 2.259 329 V HA 0.163 4.685 4.120 0.670 0.000 0.267 329 V C 1.595 177.691 176.094 0.002 0.000 1.051 329 V CA -0.494 61.803 62.300 -0.006 0.000 0.830 329 V CB 0.827 32.662 31.823 0.021 0.000 1.080 329 V HN 0.702 nan 8.190 nan 0.000 0.467 330 I N 0.281 120.846 120.570 -0.008 0.000 2.953 330 I HA -0.164 4.408 4.170 0.670 0.000 0.271 330 I C 1.369 177.489 176.117 0.004 0.000 1.286 330 I CA 1.508 62.808 61.300 0.000 0.000 1.449 330 I CB -0.132 37.865 38.000 -0.005 0.000 1.086 330 I HN 0.553 nan 8.210 nan 0.000 0.483 331 E N 0.906 121.108 120.200 0.003 0.000 2.431 331 E HA 0.145 4.897 4.350 0.670 0.000 0.200 331 E C 0.809 177.419 176.600 0.016 0.000 0.995 331 E CA -0.385 56.015 56.400 -0.000 0.000 0.915 331 E CB -0.049 29.644 29.700 -0.012 0.000 0.930 331 E HN 0.329 nan 8.360 nan 0.000 0.496 332 R N 1.802 122.321 120.500 0.031 0.000 2.504 332 R HA -0.025 4.717 4.340 0.670 0.000 0.302 332 R C -0.796 175.536 176.300 0.054 0.000 0.893 332 R CA 1.061 57.191 56.100 0.050 0.000 1.138 332 R CB 0.026 30.375 30.300 0.082 0.000 0.880 332 R HN 0.015 nan 8.270 nan 0.000 0.415 333 T N 5.929 120.507 114.554 0.040 0.000 3.105 333 T HA 0.438 5.190 4.350 0.670 0.000 0.321 333 T C -2.434 172.276 174.700 0.016 0.000 1.135 333 T CA -1.222 60.899 62.100 0.036 0.000 1.053 333 T CB 1.229 70.113 68.868 0.026 0.000 1.133 333 T HN 0.666 nan 8.240 nan 0.000 0.463 334 P HA 0.502 nan 4.420 nan 0.000 0.278 334 P C -1.133 176.208 177.300 0.069 0.000 1.258 334 P CA -0.741 62.381 63.100 0.036 0.000 0.811 334 P CB 0.829 32.541 31.700 0.019 0.000 1.063 335 N N 1.204 119.982 118.700 0.131 0.000 2.469 335 N HA 0.139 5.281 4.740 0.670 0.000 0.253 335 N C -0.204 175.469 175.510 0.271 0.000 0.970 335 N CA -0.234 52.970 53.050 0.257 0.000 0.940 335 N CB 0.663 39.315 38.487 0.275 0.000 1.128 335 N HN 0.407 nan 8.380 nan 0.000 0.503 336 R N 3.033 123.689 120.500 0.260 0.000 2.767 336 R HA 0.089 4.831 4.340 0.670 0.000 0.377 336 R C 0.601 177.038 176.300 0.229 0.000 1.151 336 R CA -0.578 55.598 56.100 0.125 0.000 1.046 336 R CB -0.231 30.074 30.300 0.007 0.000 1.404 336 R HN 0.651 nan 8.270 nan 0.000 0.580 337 H N -0.380 118.868 119.070 0.296 0.000 2.385 337 H HA -0.030 4.929 4.556 0.672 0.000 0.377 337 H C 0.345 175.734 175.328 0.102 0.000 1.985 337 H CA 0.127 56.314 56.048 0.231 0.000 1.423 337 H CB 0.614 30.383 29.762 0.012 0.000 1.590 337 H HN 0.146 nan 8.280 nan 0.000 0.547 338 L N -0.192 120.997 121.223 -0.056 0.000 3.439 338 L HA 0.126 4.868 4.340 0.670 0.000 0.313 338 L C 1.200 177.647 176.870 -0.705 0.000 1.292 338 L CA -0.119 54.496 54.840 -0.375 0.000 1.020 338 L CB 0.556 42.416 42.059 -0.332 0.000 1.424 338 L HN 0.419 nan 8.230 nan 0.000 0.612 339 S N 0.601 116.143 115.700 -0.262 0.000 2.584 339 S HA 0.027 4.899 4.470 0.670 0.000 0.240 339 S C 1.486 175.918 174.600 -0.280 0.000 0.975 339 S CA 1.069 59.138 58.200 -0.218 0.000 0.949 339 S CB -0.035 63.192 63.200 0.045 0.000 0.761 339 S HN 0.420 nan 8.310 nan 0.000 0.536 340 L N -0.299 120.724 121.223 -0.335 0.000 3.086 340 L HA 0.352 5.094 4.340 0.670 0.000 0.274 340 L C 0.917 177.648 176.870 -0.230 0.000 1.184 340 L CA -0.046 54.658 54.840 -0.226 0.000 1.002 340 L CB 0.289 42.258 42.059 -0.151 0.000 1.383 340 L HN 0.341 nan 8.230 nan 0.000 0.582 341 G N -0.093 108.460 108.800 -0.411 0.000 2.814 341 G HA2 -0.226 4.136 3.960 0.670 0.000 0.677 341 G HA3 -0.226 4.136 3.960 0.670 0.000 0.677 341 G C -1.007 173.881 174.900 -0.020 0.000 1.429 341 G CA -0.430 44.531 45.100 -0.231 0.000 0.868 341 G HN 0.249 nan 8.290 nan 0.000 0.553 342 H N -0.534 118.496 119.070 -0.068 0.000 3.024 342 H HA 0.766 5.723 4.556 0.669 0.000 0.305 342 H C 0.967 176.290 175.328 -0.008 0.000 1.506 342 H CA 1.437 57.456 56.048 -0.048 0.000 1.324 342 H CB 1.343 31.071 29.762 -0.057 0.000 1.925 342 H HN 2.426 nan 8.280 nan 0.000 0.661 343 G N -0.272 108.482 108.800 -0.077 0.000 2.632 343 G HA2 -0.241 4.121 3.960 0.670 0.000 0.224 343 G HA3 -0.241 4.121 3.960 0.670 0.000 0.224 343 G C 0.992 175.830 174.900 -0.104 0.000 1.341 343 G CA 0.054 45.123 45.100 -0.052 0.000 0.880 343 G HN 0.959 nan 8.290 nan 0.000 0.566 344 I N -2.681 117.813 120.570 -0.126 0.000 2.916 344 I HA 0.103 4.675 4.170 0.670 0.000 0.267 344 I C 1.455 177.469 176.117 -0.171 0.000 1.263 344 I CA 1.474 62.678 61.300 -0.160 0.000 1.471 344 I CB -0.225 37.616 38.000 -0.266 0.000 1.089 344 I HN 0.420 nan 8.210 nan 0.000 0.468 345 H N 1.439 120.488 119.070 -0.035 0.000 2.505 345 H HA 0.314 5.272 4.556 0.670 0.000 0.289 345 H C 0.318 175.633 175.328 -0.023 0.000 1.052 345 H CA -0.414 55.627 56.048 -0.012 0.000 1.156 345 H CB 0.046 29.773 29.762 -0.058 0.000 1.507 345 H HN 0.144 nan 8.280 nan 0.000 0.548 346 R N 1.391 121.904 120.500 0.023 0.000 2.504 346 R HA -0.091 4.651 4.340 0.670 0.000 0.291 346 R C 0.115 176.397 176.300 -0.031 0.000 0.974 346 R CA 0.020 56.088 56.100 -0.053 0.000 1.077 346 R CB -0.636 29.571 30.300 -0.154 0.000 0.926 346 R HN 0.345 nan 8.270 nan 0.000 0.407 347 C N 5.966 125.238 119.300 -0.047 0.000 2.250 347 C HA -0.118 4.744 4.460 0.670 0.000 0.389 347 C C 2.452 177.396 174.990 -0.078 0.000 1.488 347 C CA -0.227 58.757 59.018 -0.058 0.000 1.514 347 C CB -0.757 26.940 27.740 -0.072 0.000 2.546 347 C HN 0.795 nan 8.230 nan 0.000 0.579 348 L N 5.953 127.098 121.223 -0.131 0.000 2.072 348 L HA 0.155 4.897 4.340 0.670 0.000 0.205 348 L C 2.012 178.757 176.870 -0.208 0.000 1.079 348 L CA 2.467 57.172 54.840 -0.224 0.000 0.752 348 L CB -1.416 40.402 42.059 -0.402 0.000 0.906 348 L HN 0.949 nan 8.230 nan 0.000 0.436 349 G N -0.951 107.745 108.800 -0.172 0.000 3.332 349 G HA2 0.221 4.583 3.960 0.670 0.000 0.242 349 G HA3 0.221 4.583 3.960 0.670 0.000 0.242 349 G C 1.465 176.374 174.900 0.015 0.000 1.276 349 G CA 0.531 45.614 45.100 -0.028 0.000 0.988 349 G HN 0.587 nan 8.290 nan 0.000 0.517 350 A N 0.930 123.755 122.820 0.009 0.000 1.881 350 A HA -0.285 4.437 4.320 0.670 0.000 0.219 350 A C 2.075 179.712 177.584 0.089 0.000 1.215 350 A CA 2.282 54.334 52.037 0.025 0.000 0.648 350 A CB -0.714 18.297 19.000 0.018 0.000 0.832 350 A HN 0.539 nan 8.150 nan 0.000 0.455 351 H N -1.134 117.959 119.070 0.038 0.000 2.470 351 H HA 0.075 5.036 4.556 0.674 0.000 0.289 351 H C 1.632 176.994 175.328 0.057 0.000 1.033 351 H CA 1.205 57.283 56.048 0.050 0.000 1.331 351 H CB -0.235 29.563 29.762 0.060 0.000 1.414 351 H HN 0.306 nan 8.280 nan 0.000 0.545 352 L N 1.121 122.291 121.223 -0.088 0.000 2.083 352 L HA -0.107 4.635 4.340 0.670 0.000 0.209 352 L C 2.053 178.849 176.870 -0.124 0.000 1.083 352 L CA 1.524 56.276 54.840 -0.147 0.000 0.752 352 L CB -0.576 41.484 42.059 0.002 0.000 0.899 352 L HN 0.542 nan 8.230 nan 0.000 0.433 353 I N -3.093 117.438 120.570 -0.065 0.000 2.761 353 I HA -0.101 4.471 4.170 0.670 0.000 0.261 353 I C 2.197 178.314 176.117 0.000 0.000 1.198 353 I CA 0.947 62.230 61.300 -0.028 0.000 1.482 353 I CB -1.308 36.666 38.000 -0.045 0.000 1.100 353 I HN 0.282 nan 8.210 nan 0.000 0.445 354 R N 1.197 121.685 120.500 -0.021 0.000 2.148 354 R HA 0.009 4.751 4.340 0.670 0.000 0.227 354 R C 2.404 178.709 176.300 0.008 0.000 1.103 354 R CA 1.079 57.201 56.100 0.036 0.000 0.983 354 R CB -0.192 30.167 30.300 0.099 0.000 0.874 354 R HN 0.328 nan 8.270 nan 0.000 0.451 355 V N 1.248 121.105 119.914 -0.096 0.000 2.249 355 V HA -0.185 4.337 4.120 0.670 0.000 0.239 355 V C 2.011 178.091 176.094 -0.023 0.000 1.038 355 V CA 1.631 63.881 62.300 -0.083 0.000 1.005 355 V CB -0.571 31.139 31.823 -0.189 0.000 0.646 355 V HN 0.282 nan 8.190 nan 0.000 0.455 356 E N 0.778 120.959 120.200 -0.030 0.000 2.136 356 E HA -0.308 4.444 4.350 0.670 0.000 0.202 356 E C 2.230 178.834 176.600 0.007 0.000 1.019 356 E CA 1.616 58.011 56.400 -0.008 0.000 0.819 356 E CB -0.411 29.282 29.700 -0.011 0.000 0.739 356 E HN 0.602 nan 8.360 nan 0.000 0.458 357 A N 1.609 124.449 122.820 0.033 0.000 1.828 357 A HA -0.229 4.493 4.320 0.670 0.000 0.215 357 A C 2.121 179.720 177.584 0.025 0.000 1.203 357 A CA 1.660 53.716 52.037 0.032 0.000 0.614 357 A CB -0.710 18.372 19.000 0.136 0.000 0.844 357 A HN 0.117 nan 8.150 nan 0.000 0.445 358 R N -0.771 119.756 120.500 0.046 0.000 2.191 358 R HA -0.235 4.507 4.340 0.670 0.000 0.248 358 R C 2.022 178.349 176.300 0.045 0.000 1.127 358 R CA 2.567 58.697 56.100 0.049 0.000 0.943 358 R CB -0.736 29.596 30.300 0.054 0.000 0.891 358 R HN 0.360 nan 8.270 nan 0.000 0.439 359 V N 0.143 120.080 119.914 0.038 0.000 2.221 359 V HA -0.230 4.292 4.120 0.670 0.000 0.242 359 V C 2.429 178.557 176.094 0.057 0.000 1.041 359 V CA 1.875 64.200 62.300 0.042 0.000 0.995 359 V CB -1.064 30.779 31.823 0.033 0.000 0.635 359 V HN 0.640 nan 8.190 nan 0.000 0.448 360 A N 0.136 122.986 122.820 0.050 0.000 1.893 360 A HA -0.365 4.357 4.320 0.670 0.000 0.222 360 A C 2.258 179.947 177.584 0.176 0.000 1.309 360 A CA 2.936 55.028 52.037 0.091 0.000 0.681 360 A CB -0.944 18.081 19.000 0.043 0.000 0.842 360 A HN 0.573 nan 8.150 nan 0.000 0.468 361 I N -1.547 119.097 120.570 0.123 0.000 2.113 361 I HA -0.226 4.346 4.170 0.670 0.000 0.238 361 I C 2.497 178.711 176.117 0.162 0.000 1.070 361 I CA 2.402 63.813 61.300 0.185 0.000 1.332 361 I CB -0.495 37.545 38.000 0.067 0.000 1.044 361 I HN 0.396 nan 8.210 nan 0.000 0.402 362 T N 0.999 115.609 114.554 0.094 0.000 2.624 362 T HA -0.223 4.529 4.350 0.670 0.000 0.268 362 T C 1.756 176.487 174.700 0.051 0.000 1.041 362 T CA 1.917 64.056 62.100 0.065 0.000 1.159 362 T CB -0.255 68.643 68.868 0.049 0.000 0.863 362 T HN 0.417 nan 8.240 nan 0.000 0.434 363 E N 0.201 120.436 120.200 0.059 0.000 2.158 363 E HA 0.031 4.783 4.350 0.670 0.000 0.191 363 E C 1.800 178.409 176.600 0.015 0.000 0.982 363 E CA 0.418 56.835 56.400 0.028 0.000 0.823 363 E CB -0.404 29.314 29.700 0.029 0.000 0.766 363 E HN 0.549 nan 8.360 nan 0.000 0.468 364 F N 0.970 120.868 119.950 -0.087 0.000 2.365 364 F HA -0.032 4.690 4.527 0.324 0.000 0.300 364 F C 1.784 177.480 175.800 -0.174 0.000 1.090 364 F CA 0.808 58.694 58.000 -0.190 0.000 1.408 364 F CB 0.042 38.898 39.000 -0.239 0.000 1.060 364 F HN -0.091 nan 8.300 nan 0.000 0.534 365 L N -0.364 120.730 121.223 -0.216 0.000 2.477 365 L HA 0.023 4.765 4.340 0.670 0.000 0.220 365 L C 2.181 178.931 176.870 -0.201 0.000 1.106 365 L CA 0.518 55.213 54.840 -0.242 0.000 0.851 365 L CB -0.415 41.635 42.059 -0.014 0.000 0.994 365 L HN -0.026 nan 8.230 nan 0.000 0.462 366 K N -0.292 120.015 120.400 -0.156 0.000 2.400 366 K HA 0.015 4.737 4.320 0.670 0.000 0.194 366 K C 2.014 178.524 176.600 -0.151 0.000 1.033 366 K CA 0.246 56.464 56.287 -0.115 0.000 1.021 366 K CB 0.369 32.829 32.500 -0.066 0.000 0.808 366 K HN 0.132 nan 8.250 nan 0.000 0.505 367 R N -0.095 120.263 120.500 -0.237 0.000 2.087 367 R HA 0.224 4.966 4.340 0.670 0.000 0.213 367 R C 0.704 176.802 176.300 -0.338 0.000 1.137 367 R CA 0.568 56.519 56.100 -0.248 0.000 1.022 367 R CB 0.272 30.428 30.300 -0.239 0.000 0.920 367 R HN 0.059 nan 8.270 nan 0.000 0.451 368 I N 3.102 123.330 120.570 -0.570 0.000 2.503 368 I HA 0.208 4.780 4.170 0.670 0.000 0.277 368 I C -1.981 173.881 176.117 -0.424 0.000 1.078 368 I CA -1.664 59.285 61.300 -0.585 0.000 1.184 368 I CB 2.071 39.510 38.000 -0.934 0.000 1.353 368 I HN -0.171 nan 8.210 nan 0.000 0.490 369 P HA -0.003 nan 4.420 nan 0.000 0.245 369 P C 0.002 177.338 177.300 0.060 0.000 1.212 369 P CA 0.742 63.810 63.100 -0.054 0.000 0.774 369 P CB 0.221 31.884 31.700 -0.063 0.000 0.999 370 E N 0.448 120.728 120.200 0.133 0.000 2.290 370 E HA 0.509 5.261 4.350 0.670 0.000 0.274 370 E C -1.200 175.646 176.600 0.410 0.000 0.889 370 E CA -0.838 55.651 56.400 0.148 0.000 0.760 370 E CB 1.304 31.050 29.700 0.077 0.000 1.206 370 E HN -0.044 nan 8.360 nan 0.000 0.419 371 F N 0.436 120.462 119.950 0.127 0.000 3.122 371 F HA 0.733 5.705 4.527 0.742 0.000 0.325 371 F C -1.421 174.483 175.800 0.173 0.000 1.162 371 F CA -0.670 57.479 58.000 0.249 0.000 0.876 371 F CB 1.086 40.302 39.000 0.359 0.000 1.429 371 F HN 0.423 nan 8.300 nan 0.000 0.484 372 S N -0.042 115.853 115.700 0.325 0.000 2.678 372 S HA 0.371 5.243 4.470 0.670 0.000 0.290 372 S C -1.539 173.190 174.600 0.216 0.000 1.047 372 S CA -1.140 57.146 58.200 0.144 0.000 0.851 372 S CB 0.843 64.074 63.200 0.053 0.000 1.058 372 S HN 1.075 nan 8.310 nan 0.000 0.451 373 L N 2.629 123.969 121.223 0.195 0.000 2.737 373 L HA 0.019 4.761 4.340 0.670 0.000 0.275 373 L C 0.614 177.584 176.870 0.166 0.000 1.179 373 L CA 0.417 55.391 54.840 0.223 0.000 0.970 373 L CB -0.114 42.081 42.059 0.228 0.000 1.268 373 L HN 0.772 nan 8.230 nan 0.000 0.485 374 D N 6.634 127.130 120.400 0.160 0.000 2.531 374 D HA -0.038 5.004 4.640 0.670 0.000 0.239 374 D C -1.585 174.769 176.300 0.090 0.000 1.144 374 D CA -1.113 52.947 54.000 0.101 0.000 0.869 374 D CB 1.480 42.330 40.800 0.083 0.000 1.160 374 D HN 0.271 nan 8.370 nan 0.000 0.484 375 P HA -0.012 nan 4.420 nan 0.000 0.220 375 P C 0.441 177.766 177.300 0.041 0.000 1.152 375 P CA 0.600 63.730 63.100 0.051 0.000 0.812 375 P CB 0.304 32.024 31.700 0.034 0.000 0.792 376 N N 0.225 118.943 118.700 0.030 0.000 2.346 376 N HA 0.080 5.222 4.740 0.670 0.000 0.225 376 N C -0.240 175.282 175.510 0.020 0.000 1.144 376 N CA 0.520 53.581 53.050 0.019 0.000 0.837 376 N CB 0.081 38.571 38.487 0.005 0.000 1.069 376 N HN 0.283 nan 8.380 nan 0.000 0.487 377 K N 0.573 120.996 120.400 0.038 0.000 2.575 377 K HA 0.220 4.942 4.320 0.670 0.000 0.255 377 K C -1.111 175.530 176.600 0.067 0.000 0.953 377 K CA -0.593 55.717 56.287 0.038 0.000 0.840 377 K CB 2.113 34.635 32.500 0.036 0.000 1.303 377 K HN -0.128 nan 8.250 nan 0.000 0.438 378 E N 1.667 121.900 120.200 0.055 0.000 2.216 378 E HA 0.214 4.966 4.350 0.670 0.000 0.279 378 E C -0.156 176.498 176.600 0.090 0.000 0.997 378 E CA -0.555 55.893 56.400 0.079 0.000 0.817 378 E CB 1.095 30.829 29.700 0.057 0.000 1.096 378 E HN 0.594 nan 8.360 nan 0.000 0.393 379 C N 2.117 121.496 119.300 0.131 0.000 2.653 379 C HA 0.276 5.138 4.460 0.670 0.000 0.421 379 C C 0.833 175.875 174.990 0.087 0.000 1.334 379 C CA -0.697 58.399 59.018 0.129 0.000 1.885 379 C CB -0.594 27.225 27.740 0.131 0.000 2.645 379 C HN 0.648 nan 8.230 nan 0.000 0.601 380 E N 2.559 122.832 120.200 0.122 0.000 2.158 380 E HA 0.270 5.022 4.350 0.670 0.000 0.271 380 E C -1.135 175.546 176.600 0.136 0.000 0.911 380 E CA -0.468 56.012 56.400 0.132 0.000 0.767 380 E CB 0.961 30.764 29.700 0.171 0.000 1.120 380 E HN 0.876 nan 8.360 nan 0.000 0.405 381 W N 6.940 128.194 121.300 -0.077 0.000 2.438 381 W HA 0.366 5.425 4.660 0.666 0.000 0.324 381 W C -1.572 174.910 176.519 -0.062 0.000 1.119 381 W CA -0.863 56.413 57.345 -0.114 0.000 1.221 381 W CB 1.180 30.533 29.460 -0.180 0.000 1.253 381 W HN 0.476 nan 8.180 nan 0.000 0.555 382 L N 6.454 127.267 121.223 -0.682 0.000 2.357 382 L HA 0.447 5.189 4.340 0.670 0.000 0.273 382 L C -0.100 176.440 176.870 -0.550 0.000 1.080 382 L CA -0.249 54.306 54.840 -0.476 0.000 0.803 382 L CB 1.222 43.035 42.059 -0.410 0.000 1.174 382 L HN 0.447 nan 8.230 nan 0.000 0.443 383 M N 2.702 122.166 119.600 -0.228 0.000 2.821 383 M HA 0.818 5.700 4.480 0.670 0.000 0.304 383 M C 0.288 176.362 176.300 -0.376 0.000 1.233 383 M CA -0.342 54.874 55.300 -0.140 0.000 0.851 383 M CB 1.738 34.292 32.600 -0.077 0.000 1.723 383 M HN 0.822 nan 8.290 nan 0.000 0.493 384 G N 0.374 108.914 108.800 -0.434 0.000 2.331 384 G HA2 -0.108 4.254 3.960 0.670 0.000 0.479 384 G HA3 -0.108 4.254 3.960 0.670 0.000 0.479 384 G C -0.530 174.202 174.900 -0.280 0.000 1.262 384 G CA -0.638 43.927 45.100 -0.891 0.000 1.029 384 G HN 0.715 nan 8.290 nan 0.000 0.487 385 Q N -1.148 118.582 119.800 -0.117 0.000 2.488 385 Q HA 0.254 4.996 4.340 0.670 0.000 0.211 385 Q C 0.523 176.522 176.000 -0.002 0.000 0.967 385 Q CA 1.055 56.907 55.803 0.082 0.000 0.926 385 Q CB 0.527 29.383 28.738 0.195 0.000 0.992 385 Q HN 0.391 nan 8.270 nan 0.000 0.506 386 V N 0.550 120.422 119.914 -0.071 0.000 2.532 386 V HA 0.647 5.169 4.120 0.670 0.000 0.294 386 V C -0.815 175.182 176.094 -0.161 0.000 1.036 386 V CA -0.680 61.581 62.300 -0.066 0.000 0.876 386 V CB 1.509 33.318 31.823 -0.024 0.000 1.012 386 V HN 0.164 nan 8.190 nan 0.000 0.432 387 A N 3.315 126.034 122.820 -0.168 0.000 2.527 387 A HA 1.098 5.820 4.320 0.670 0.000 0.293 387 A C 0.058 177.224 177.584 -0.697 0.000 1.117 387 A CA -0.058 51.736 52.037 -0.406 0.000 0.723 387 A CB 2.261 21.194 19.000 -0.112 0.000 1.313 387 A HN 1.807 nan 8.150 nan 0.000 0.411 388 G N -0.305 107.529 108.800 -1.610 0.000 2.344 388 G HA2 0.476 4.838 3.960 0.670 0.000 0.282 388 G HA3 0.476 4.838 3.960 0.670 0.000 0.282 388 G C -1.339 172.858 174.900 -1.172 0.000 1.281 388 G CA -0.801 43.418 45.100 -1.468 0.000 0.877 388 G HN 0.639 nan 8.290 nan 0.000 0.494 389 M N 0.821 120.148 119.600 -0.456 0.000 2.180 389 M HA 0.430 5.312 4.480 0.670 0.000 0.358 389 M C 0.908 177.057 176.300 -0.251 0.000 1.233 389 M CA -0.591 54.568 55.300 -0.234 0.000 1.114 389 M CB 1.058 33.606 32.600 -0.086 0.000 1.594 389 M HN 0.523 nan 8.290 nan 0.000 0.467 390 L N 3.332 124.413 121.223 -0.236 0.000 2.388 390 L HA 0.206 4.948 4.340 0.670 0.000 0.209 390 L C -0.286 176.202 176.870 -0.637 0.000 1.061 390 L CA 1.260 55.868 54.840 -0.386 0.000 0.834 390 L CB 0.173 42.049 42.059 -0.305 0.000 1.029 390 L HN 0.739 nan 8.230 nan 0.000 0.473 391 H N -1.479 117.576 119.070 -0.026 0.000 2.840 391 H HA 0.636 5.595 4.556 0.672 0.000 0.340 391 H C -1.231 174.139 175.328 0.070 0.000 1.004 391 H CA -0.621 55.438 56.048 0.018 0.000 1.288 391 H CB 1.630 31.397 29.762 0.008 0.000 1.607 391 H HN -0.270 nan 8.280 nan 0.000 0.522 392 V N 4.690 124.722 119.914 0.196 0.000 2.383 392 V HA 0.260 4.782 4.120 0.670 0.000 0.264 392 V C -2.509 173.736 176.094 0.252 0.000 1.001 392 V CA -1.472 60.983 62.300 0.257 0.000 0.828 392 V CB 0.976 32.972 31.823 0.288 0.000 1.069 392 V HN 0.625 nan 8.190 nan 0.000 0.451 393 P HA 0.462 nan 4.420 nan 0.000 0.287 393 P C -0.753 176.678 177.300 0.219 0.000 1.294 393 P CA -0.103 63.117 63.100 0.199 0.000 0.776 393 P CB 1.857 33.641 31.700 0.139 0.000 0.889 394 I N 2.969 123.686 120.570 0.244 0.000 3.100 394 I HA 0.685 5.257 4.170 0.670 0.000 0.312 394 I C 0.210 176.417 176.117 0.151 0.000 1.063 394 I CA -1.513 59.958 61.300 0.284 0.000 1.031 394 I CB 1.022 39.306 38.000 0.475 0.000 1.243 394 I HN 0.318 nan 8.210 nan 0.000 0.483 395 I N 0.726 121.383 120.570 0.145 0.000 2.529 395 I HA 0.699 5.271 4.170 0.670 0.000 0.284 395 I C -1.487 174.664 176.117 0.057 0.000 1.088 395 I CA -0.534 60.729 61.300 -0.062 0.000 1.062 395 I CB 1.530 39.502 38.000 -0.046 0.000 1.218 395 I HN 0.700 nan 8.210 nan 0.000 0.442 396 F N 5.193 125.239 119.950 0.160 0.000 2.631 396 F HA 0.929 5.868 4.527 0.687 0.000 0.350 396 F C -2.679 173.172 175.800 0.084 0.000 1.080 396 F CA -3.030 55.061 58.000 0.152 0.000 1.026 396 F CB -0.214 38.909 39.000 0.204 0.000 1.347 396 F HN 0.192 nan 8.300 nan 0.000 0.501 397 P HA 0.111 nan 4.420 nan 0.000 0.280 397 P C -0.898 176.595 177.300 0.321 0.000 1.386 397 P CA -0.387 62.867 63.100 0.255 0.000 0.899 397 P CB 1.118 32.912 31.700 0.156 0.000 1.098 398 K N 2.720 123.273 120.400 0.255 0.000 2.427 398 K HA 0.015 4.737 4.320 0.670 0.000 0.262 398 K C 0.433 177.133 176.600 0.166 0.000 1.094 398 K CA 0.632 57.057 56.287 0.229 0.000 1.184 398 K CB -0.172 32.388 32.500 0.099 0.000 0.796 398 K HN 0.673 nan 8.250 nan 0.000 0.491 399 G N 3.827 112.719 108.800 0.154 0.000 3.209 399 G HA2 0.416 4.778 3.960 0.670 0.000 0.236 399 G HA3 0.416 4.778 3.960 0.670 0.000 0.236 399 G C -1.217 173.704 174.900 0.036 0.000 1.329 399 G CA -0.684 44.451 45.100 0.058 0.000 1.015 399 G HN 0.524 nan 8.290 nan 0.000 0.571 400 K N 0.214 120.618 120.400 0.008 0.000 2.270 400 K HA 0.398 5.120 4.320 0.670 0.000 0.255 400 K C -0.324 176.274 176.600 -0.003 0.000 0.936 400 K CA -0.580 55.711 56.287 0.006 0.000 0.809 400 K CB 2.312 34.814 32.500 0.002 0.000 1.131 400 K HN 0.653 nan 8.250 nan 0.000 0.427 401 R N 2.795 123.299 120.500 0.006 0.000 2.486 401 R HA 0.299 5.041 4.340 0.670 0.000 0.286 401 R C 0.400 176.702 176.300 0.004 0.000 0.999 401 R CA -0.674 55.431 56.100 0.007 0.000 0.993 401 R CB 0.564 30.877 30.300 0.022 0.000 1.084 401 R HN 0.528 nan 8.270 nan 0.000 0.487 402 L N 0.799 122.023 121.223 0.002 0.000 2.240 402 L HA 0.020 4.762 4.340 0.670 0.000 0.211 402 L C 1.110 177.984 176.870 0.006 0.000 1.106 402 L CA 0.499 55.340 54.840 0.001 0.000 0.793 402 L CB -0.074 41.984 42.059 -0.002 0.000 0.927 402 L HN 0.715 nan 8.230 nan 0.000 0.446 403 S N 0.595 116.302 115.700 0.011 0.000 2.516 403 S HA 0.160 5.032 4.470 0.670 0.000 0.282 403 S C 0.031 174.638 174.600 0.012 0.000 1.286 403 S CA -0.696 57.513 58.200 0.014 0.000 1.066 403 S CB -0.102 63.111 63.200 0.021 0.000 0.884 403 S HN 0.450 nan 8.310 nan 0.000 0.491 404 E N 0.000 120.206 120.200 0.009 0.000 2.725 404 E HA 0.000 4.752 4.350 0.670 0.000 0.291 404 E CA 0.000 56.404 56.400 0.007 0.000 0.976 404 E CB 0.000 29.705 29.700 0.008 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440