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 2ij7_1_D DATA FIRST_RESID 6 DATA SEQUENCE LLEVPFSARG DRIPDAVAEL RTREPIRKVR TITGAEAWLV SSYALCTQVL DATA SEQUENCE EDRRFSMKET AAAGAPRLNA LTVPPEVVNN MGNIADAGLR KAVMKAITPK DATA SEQUENCE APGLEQFLRD TANSLLDNLI TEGAPADLRN DFADPLATAL HCKVLGIPQE DATA SEQUENCE DGPKLFRSLS IAFMSSADPI PAAKINWDRD IEYMAGILEN PNITTGLMGE DATA SEQUENCE LSRLRKDPAY SHVSDELFAT IGVTFFGAGV ISTGSFLTTA LISLIQRPQL DATA SEQUENCE RNLLHEKPEL IPAGVEELLR INLSFADGLP RLATADIQVG DVLVRKGELV DATA SEQUENCE LVLLEGANFD PEHFPNPGSI ELDRPNPTSH LAFGRGQHFC PGSALGRRHA DATA SEQUENCE QIGIEALLKK MPGVDLAVPI DQLVWRTRFQ RRIPERLPVL W 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.873 176.870 0.004 0.000 1.165 6 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 6 L CB 0.000 42.027 42.059 -0.053 0.000 0.961 7 L N 3.461 124.705 121.223 0.035 0.000 2.456 7 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 7 L C 0.327 177.222 176.870 0.042 0.000 1.189 7 L CA 0.538 55.431 54.840 0.089 0.000 0.846 7 L CB 0.292 42.465 42.059 0.190 0.000 1.111 7 L HN 0.467 nan 8.230 nan 0.000 0.475 8 E N 3.143 123.369 120.200 0.044 0.000 2.197 8 E HA 0.416 4.766 4.350 -0.000 0.000 0.281 8 E C -0.861 175.635 176.600 -0.174 0.000 0.995 8 E CA -0.419 55.955 56.400 -0.043 0.000 0.808 8 E CB 1.781 31.475 29.700 -0.010 0.000 1.093 8 E HN 0.384 nan 8.360 nan 0.000 0.394 9 V N 0.457 120.210 119.914 -0.268 0.000 2.769 9 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 9 V C -2.334 173.614 176.094 -0.242 0.000 1.058 9 V CA -2.350 59.683 62.300 -0.445 0.000 0.952 9 V CB 1.367 32.887 31.823 -0.505 0.000 1.019 9 V HN 0.444 nan 8.190 nan 0.000 0.445 10 P HA 0.386 nan 4.420 nan 0.000 0.276 10 P C 0.132 177.301 177.300 -0.219 0.000 1.244 10 P CA -0.200 62.732 63.100 -0.279 0.000 0.801 10 P CB 0.846 32.475 31.700 -0.117 0.000 1.006 11 F N -0.499 119.439 119.950 -0.021 0.000 2.270 11 F HA 0.010 4.537 4.527 -0.000 0.000 0.295 11 F C 1.531 177.307 175.800 -0.040 0.000 1.087 11 F CA 0.740 58.723 58.000 -0.029 0.000 1.365 11 F CB 0.184 39.163 39.000 -0.035 0.000 1.056 11 F HN 0.309 nan 8.300 nan 0.000 0.506 12 S N -0.543 115.235 115.700 0.129 0.000 2.572 12 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 12 S C -0.061 174.517 174.600 -0.036 0.000 1.150 12 S CA -0.392 57.822 58.200 0.022 0.000 0.944 12 S CB 1.767 64.955 63.200 -0.021 0.000 1.071 12 S HN 0.132 nan 8.310 nan 0.000 0.479 13 A N 3.290 126.080 122.820 -0.050 0.000 2.238 13 A HA 0.297 4.617 4.320 -0.000 0.000 0.208 13 A C 1.009 178.440 177.584 -0.255 0.000 1.177 13 A CA -0.043 51.965 52.037 -0.048 0.000 0.804 13 A CB -0.241 18.798 19.000 0.064 0.000 0.823 13 A HN 0.795 nan 8.150 nan 0.000 0.482 14 R N -0.477 119.720 120.500 -0.505 0.000 2.442 14 R HA 0.283 4.623 4.340 -0.000 0.000 0.291 14 R C 1.049 176.744 176.300 -1.009 0.000 1.069 14 R CA 0.446 55.831 56.100 -1.192 0.000 1.022 14 R CB 0.620 30.439 30.300 -0.802 0.000 0.976 14 R HN 0.247 nan 8.270 nan 0.000 0.443 15 G N 1.646 109.483 108.800 -1.605 0.000 3.277 15 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.243 15 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.243 15 G C 0.559 175.297 174.900 -0.271 0.000 1.107 15 G CA -0.203 44.541 45.100 -0.592 0.000 0.771 15 G HN 0.698 nan 8.290 nan 0.000 0.544 16 D N -0.355 119.839 120.400 -0.343 0.000 2.324 16 D HA 0.081 4.721 4.640 -0.000 0.000 0.212 16 D C 1.042 177.321 176.300 -0.035 0.000 0.984 16 D CA 0.035 54.033 54.000 -0.002 0.000 0.885 16 D CB 0.589 41.500 40.800 0.184 0.000 0.996 16 D HN 0.234 nan 8.370 nan 0.000 0.505 17 R N -0.203 120.224 120.500 -0.122 0.000 2.673 17 R HA 0.516 4.856 4.340 -0.000 0.000 0.281 17 R C -1.241 174.957 176.300 -0.170 0.000 0.991 17 R CA -0.802 55.233 56.100 -0.107 0.000 0.896 17 R CB 2.345 32.599 30.300 -0.077 0.000 1.201 17 R HN 0.015 nan 8.270 nan 0.000 0.457 18 I N 4.906 125.341 120.570 -0.225 0.000 2.496 18 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 18 I C -1.991 173.991 176.117 -0.225 0.000 1.080 18 I CA -2.104 59.010 61.300 -0.309 0.000 1.404 18 I CB 1.281 38.885 38.000 -0.660 0.000 1.403 18 I HN 0.538 nan 8.210 nan 0.000 0.539 19 P HA 0.113 nan 4.420 nan 0.000 0.271 19 P C -0.181 177.026 177.300 -0.154 0.000 1.216 19 P CA -0.152 62.859 63.100 -0.148 0.000 0.771 19 P CB 0.512 32.131 31.700 -0.136 0.000 0.864 20 D N 2.356 122.682 120.400 -0.123 0.000 2.239 20 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 20 D C 1.734 177.964 176.300 -0.117 0.000 0.993 20 D CA 1.692 55.629 54.000 -0.105 0.000 0.874 20 D CB -0.415 40.340 40.800 -0.076 0.000 0.922 20 D HN 0.419 nan 8.370 nan 0.000 0.464 21 A N 0.213 122.941 122.820 -0.153 0.000 2.119 21 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 21 A C 2.410 179.868 177.584 -0.209 0.000 1.153 21 A CA 0.416 52.337 52.037 -0.193 0.000 0.692 21 A CB -0.269 18.569 19.000 -0.271 0.000 0.799 21 A HN 0.138 nan 8.150 nan 0.000 0.458 22 V N -0.110 119.697 119.914 -0.179 0.000 2.295 22 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 22 V C 3.047 179.107 176.094 -0.058 0.000 1.049 22 V CA 2.022 64.253 62.300 -0.115 0.000 1.024 22 V CB -1.123 30.648 31.823 -0.087 0.000 0.648 22 V HN 0.599 nan 8.190 nan 0.000 0.447 23 A N -0.573 122.215 122.820 -0.053 0.000 1.930 23 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 23 A C 2.185 179.761 177.584 -0.014 0.000 1.175 23 A CA 1.498 53.529 52.037 -0.010 0.000 0.627 23 A CB -0.361 18.636 19.000 -0.005 0.000 0.815 23 A HN 0.558 nan 8.150 nan 0.000 0.443 24 E N -0.475 119.699 120.200 -0.043 0.000 2.072 24 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 24 E C 1.975 178.557 176.600 -0.030 0.000 0.985 24 E CA 1.207 57.584 56.400 -0.038 0.000 0.801 24 E CB -0.447 29.219 29.700 -0.058 0.000 0.750 24 E HN 0.542 nan 8.360 nan 0.000 0.452 25 L N 1.442 122.636 121.223 -0.048 0.000 2.056 25 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 25 L C 2.535 179.417 176.870 0.021 0.000 1.078 25 L CA 1.585 56.413 54.840 -0.021 0.000 0.749 25 L CB -0.342 41.691 42.059 -0.044 0.000 0.901 25 L HN -0.062 nan 8.230 nan 0.000 0.433 26 R N -1.246 119.271 120.500 0.028 0.000 2.096 26 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 26 R C 1.908 178.234 176.300 0.043 0.000 1.127 26 R CA 1.991 58.121 56.100 0.050 0.000 0.968 26 R CB -0.363 29.977 30.300 0.067 0.000 0.861 26 R HN 0.412 nan 8.270 nan 0.000 0.440 27 T N 0.110 114.683 114.554 0.032 0.000 2.857 27 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 27 T C 1.762 176.476 174.700 0.024 0.000 1.048 27 T CA 1.142 63.259 62.100 0.028 0.000 1.139 27 T CB -0.017 68.863 68.868 0.020 0.000 0.874 27 T HN 0.348 nan 8.240 nan 0.000 0.455 28 R N 0.332 120.844 120.500 0.020 0.000 2.175 28 R HA 0.259 4.599 4.340 -0.000 0.000 0.202 28 R C 0.998 177.316 176.300 0.030 0.000 1.018 28 R CA 0.519 56.632 56.100 0.021 0.000 1.029 28 R CB 0.499 30.808 30.300 0.015 0.000 0.959 28 R HN 0.249 nan 8.270 nan 0.000 0.480 29 E N 0.369 120.592 120.200 0.039 0.000 3.544 29 E HA 0.134 4.484 4.350 -0.000 0.000 0.264 29 E C -2.174 174.466 176.600 0.067 0.000 1.225 29 E CA -1.294 55.139 56.400 0.056 0.000 1.045 29 E CB 1.130 30.872 29.700 0.071 0.000 1.338 29 E HN -0.036 nan 8.360 nan 0.000 0.395 30 P HA -0.054 nan 4.420 nan 0.000 0.230 30 P C 0.386 177.719 177.300 0.055 0.000 1.158 30 P CA 0.707 63.839 63.100 0.053 0.000 0.769 30 P CB 0.535 32.259 31.700 0.039 0.000 0.807 31 I N -0.523 120.081 120.570 0.057 0.000 2.478 31 I HA 0.562 4.732 4.170 -0.000 0.000 0.287 31 I C -0.961 175.271 176.117 0.190 0.000 1.042 31 I CA -1.273 60.077 61.300 0.083 0.000 1.067 31 I CB 1.596 39.572 38.000 -0.040 0.000 1.233 31 I HN -0.303 nan 8.210 nan 0.000 0.431 32 R N 5.891 126.583 120.500 0.320 0.000 2.651 32 R HA 0.478 4.818 4.340 -0.000 0.000 0.278 32 R C -1.738 174.760 176.300 0.330 0.000 1.010 32 R CA -0.825 55.470 56.100 0.326 0.000 0.896 32 R CB 1.343 31.763 30.300 0.200 0.000 1.211 32 R HN 0.477 nan 8.270 nan 0.000 0.456 33 K N 3.001 123.500 120.400 0.165 0.000 2.322 33 K HA 0.448 4.768 4.320 -0.000 0.000 0.283 33 K C -0.670 175.852 176.600 -0.129 0.000 1.042 33 K CA -0.048 56.081 56.287 -0.262 0.000 0.958 33 K CB 0.746 32.986 32.500 -0.434 0.000 0.984 33 K HN 0.521 nan 8.250 nan 0.000 0.473 34 V N 0.910 120.719 119.914 -0.175 0.000 3.167 34 V HA 0.678 4.798 4.120 -0.000 0.000 0.310 34 V C -0.969 175.039 176.094 -0.145 0.000 1.207 34 V CA -1.216 61.020 62.300 -0.106 0.000 1.059 34 V CB 1.864 33.638 31.823 -0.082 0.000 1.079 34 V HN 0.777 nan 8.190 nan 0.000 0.446 35 R N 0.819 121.251 120.500 -0.113 0.000 2.494 35 R HA 0.662 5.002 4.340 -0.000 0.000 0.305 35 R C 0.045 176.279 176.300 -0.110 0.000 0.959 35 R CA 0.198 56.233 56.100 -0.109 0.000 0.864 35 R CB 1.899 32.151 30.300 -0.081 0.000 1.159 35 R HN 1.184 nan 8.270 nan 0.000 0.446 36 T N 0.673 115.164 114.554 -0.104 0.000 2.824 36 T HA 0.140 4.490 4.350 -0.000 0.000 0.277 36 T C 1.301 175.954 174.700 -0.079 0.000 0.975 36 T CA -0.663 61.377 62.100 -0.099 0.000 0.966 36 T CB 0.720 69.535 68.868 -0.088 0.000 1.054 36 T HN 0.557 nan 8.240 nan 0.000 0.533 37 I N 1.264 121.791 120.570 -0.072 0.000 2.493 37 I HA -0.059 4.111 4.170 -0.000 0.000 0.254 37 I C 2.549 178.638 176.117 -0.047 0.000 1.160 37 I CA 1.928 63.196 61.300 -0.054 0.000 1.445 37 I CB -0.420 37.552 38.000 -0.046 0.000 1.086 37 I HN 0.996 nan 8.210 nan 0.000 0.433 38 T N -2.694 111.829 114.554 -0.051 0.000 3.148 38 T HA 0.252 4.602 4.350 -0.000 0.000 0.253 38 T C 1.613 176.286 174.700 -0.045 0.000 1.134 38 T CA 0.461 62.534 62.100 -0.046 0.000 1.051 38 T CB -0.214 68.624 68.868 -0.049 0.000 0.959 38 T HN 0.553 nan 8.240 nan 0.000 0.525 39 G N 0.960 109.730 108.800 -0.050 0.000 2.195 39 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.246 39 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.246 39 G C 0.387 175.250 174.900 -0.060 0.000 0.984 39 G CA -0.088 44.981 45.100 -0.050 0.000 0.633 39 G HN 1.187 nan 8.290 nan 0.000 0.525 40 A N 0.123 122.904 122.820 -0.065 0.000 2.406 40 A HA 0.591 4.911 4.320 -0.000 0.000 0.243 40 A C 0.492 178.014 177.584 -0.102 0.000 1.082 40 A CA 0.351 52.343 52.037 -0.075 0.000 0.786 40 A CB 0.282 19.241 19.000 -0.067 0.000 1.029 40 A HN 0.497 nan 8.150 nan 0.000 0.495 41 E N -0.501 119.624 120.200 -0.125 0.000 2.343 41 E HA 0.515 4.865 4.350 -0.000 0.000 0.269 41 E C -0.116 176.352 176.600 -0.219 0.000 1.047 41 E CA 0.125 56.408 56.400 -0.194 0.000 0.874 41 E CB 1.320 30.881 29.700 -0.231 0.000 1.033 41 E HN 0.814 nan 8.360 nan 0.000 0.409 42 A N 2.500 125.142 122.820 -0.295 0.000 2.606 42 A HA 0.446 4.766 4.320 -0.000 0.000 0.293 42 A C -2.056 175.308 177.584 -0.366 0.000 1.082 42 A CA -0.775 51.109 52.037 -0.255 0.000 0.685 42 A CB 0.758 19.686 19.000 -0.119 0.000 1.284 42 A HN 0.629 nan 8.150 nan 0.000 0.408 43 W N 1.004 122.298 121.300 -0.011 0.000 2.316 43 W HA 0.546 5.206 4.660 -0.000 0.000 0.308 43 W C -0.195 176.307 176.519 -0.028 0.000 1.106 43 W CA -0.235 57.104 57.345 -0.010 0.000 1.262 43 W CB 1.514 30.970 29.460 -0.007 0.000 1.233 43 W HN 0.541 nan 8.180 nan 0.000 0.447 44 L N 5.656 127.011 121.223 0.219 0.000 2.265 44 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 44 L C -0.523 176.428 176.870 0.134 0.000 1.058 44 L CA -0.428 54.490 54.840 0.129 0.000 0.809 44 L CB 0.662 42.782 42.059 0.101 0.000 1.179 44 L HN 0.161 nan 8.230 nan 0.000 0.429 45 V N 4.527 124.484 119.914 0.071 0.000 2.398 45 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 45 V C 0.542 176.659 176.094 0.039 0.000 1.026 45 V CA 0.270 62.589 62.300 0.032 0.000 0.868 45 V CB 1.303 33.099 31.823 -0.045 0.000 0.982 45 V HN 0.937 nan 8.190 nan 0.000 0.443 46 S N 0.958 116.691 115.700 0.055 0.000 2.847 46 S HA 0.177 4.646 4.470 -0.000 0.000 0.254 46 S C 0.473 175.125 174.600 0.086 0.000 1.039 46 S CA 0.088 58.335 58.200 0.079 0.000 1.113 46 S CB 0.370 63.633 63.200 0.105 0.000 1.092 46 S HN 0.799 nan 8.310 nan 0.000 0.620 47 S N 0.342 116.082 115.700 0.066 0.000 2.608 47 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 47 S C 0.493 175.148 174.600 0.092 0.000 1.146 47 S CA -0.681 57.576 58.200 0.094 0.000 1.043 47 S CB 0.910 64.155 63.200 0.075 0.000 1.037 47 S HN 0.217 nan 8.310 nan 0.000 0.520 48 Y N 2.496 122.804 120.300 0.013 0.000 2.128 48 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 48 Y C 2.516 178.373 175.900 -0.072 0.000 1.154 48 Y CA 2.346 60.416 58.100 -0.050 0.000 1.149 48 Y CB -0.918 37.474 38.460 -0.113 0.000 0.976 48 Y HN 0.902 nan 8.280 nan 0.000 0.505 49 A N 0.162 123.061 122.820 0.131 0.000 1.883 49 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 49 A C 2.279 179.840 177.584 -0.038 0.000 1.186 49 A CA 2.059 54.127 52.037 0.052 0.000 0.624 49 A CB -1.123 17.917 19.000 0.067 0.000 0.822 49 A HN 0.549 nan 8.150 nan 0.000 0.444 50 L N -1.132 120.068 121.223 -0.038 0.000 2.131 50 L HA -0.167 4.172 4.340 -0.000 0.000 0.206 50 L C 2.728 179.523 176.870 -0.125 0.000 1.087 50 L CA 0.835 55.633 54.840 -0.071 0.000 0.767 50 L CB -0.751 41.276 42.059 -0.053 0.000 0.917 50 L HN 0.484 nan 8.230 nan 0.000 0.441 51 C N 0.128 119.345 119.300 -0.140 0.000 2.413 51 C HA -0.196 4.264 4.460 -0.000 0.000 0.277 51 C C 3.129 177.984 174.990 -0.225 0.000 1.228 51 C CA 1.776 60.684 59.018 -0.182 0.000 1.731 51 C CB -1.013 26.617 27.740 -0.183 0.000 2.042 51 C HN 0.664 nan 8.230 nan 0.000 0.468 52 T N -0.818 113.552 114.554 -0.308 0.000 2.821 52 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 52 T C 1.764 176.382 174.700 -0.136 0.000 1.046 52 T CA 1.729 63.664 62.100 -0.275 0.000 1.139 52 T CB -0.582 68.059 68.868 -0.378 0.000 0.871 52 T HN 0.711 nan 8.240 nan 0.000 0.454 53 Q N 0.739 120.476 119.800 -0.105 0.000 2.045 53 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 53 Q C 2.403 178.399 176.000 -0.006 0.000 0.991 53 Q CA 2.175 57.957 55.803 -0.035 0.000 0.851 53 Q CB -0.414 28.311 28.738 -0.021 0.000 0.911 53 Q HN 0.515 nan 8.270 nan 0.000 0.418 54 V N 1.207 121.046 119.914 -0.126 0.000 2.261 54 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 54 V C 2.425 178.493 176.094 -0.044 0.000 1.047 54 V CA 1.783 63.926 62.300 -0.261 0.000 1.015 54 V CB -0.591 30.896 31.823 -0.558 0.000 0.642 54 V HN 0.402 nan 8.190 nan 0.000 0.446 55 L N -0.379 120.808 121.223 -0.060 0.000 2.191 55 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 55 L C 2.324 179.225 176.870 0.050 0.000 1.103 55 L CA 1.420 56.265 54.840 0.008 0.000 0.769 55 L CB -0.541 41.503 42.059 -0.024 0.000 0.908 55 L HN 0.415 nan 8.230 nan 0.000 0.438 56 E N -0.875 119.345 120.200 0.033 0.000 2.478 56 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 56 E C 0.044 176.685 176.600 0.068 0.000 1.045 56 E CA 0.003 56.425 56.400 0.036 0.000 0.868 56 E CB 0.248 29.951 29.700 0.005 0.000 0.885 56 E HN 0.207 nan 8.360 nan 0.000 0.505 57 D N 0.354 120.835 120.400 0.136 0.000 2.453 57 D HA 0.121 4.761 4.640 -0.000 0.000 0.238 57 D C 0.445 176.840 176.300 0.158 0.000 1.088 57 D CA -0.372 53.715 54.000 0.145 0.000 0.854 57 D CB 0.636 41.566 40.800 0.217 0.000 1.076 57 D HN -0.177 nan 8.370 nan 0.000 0.533 58 R N 2.257 122.805 120.500 0.082 0.000 2.328 58 R HA 0.043 4.383 4.340 -0.000 0.000 0.207 58 R C 1.614 177.941 176.300 0.045 0.000 1.056 58 R CA 0.471 56.621 56.100 0.082 0.000 1.016 58 R CB 0.325 30.651 30.300 0.043 0.000 0.872 58 R HN 0.361 nan 8.270 nan 0.000 0.471 59 R N -0.325 120.149 120.500 -0.043 0.000 2.148 59 R HA -0.056 4.284 4.340 -0.000 0.000 0.227 59 R C -0.018 176.155 176.300 -0.210 0.000 1.103 59 R CA 0.676 56.680 56.100 -0.160 0.000 0.983 59 R CB -0.012 30.124 30.300 -0.274 0.000 0.874 59 R HN 0.001 nan 8.270 nan 0.000 0.451 60 F N 1.070 121.035 119.950 0.024 0.000 2.494 60 F HA 0.090 4.617 4.527 -0.000 0.000 0.351 60 F C 0.645 176.474 175.800 0.048 0.000 1.205 60 F CA -0.158 57.860 58.000 0.031 0.000 1.125 60 F CB 0.688 39.703 39.000 0.024 0.000 1.268 60 F HN -0.200 nan 8.300 nan 0.000 0.593 61 S N 4.986 120.801 115.700 0.193 0.000 2.457 61 S HA 0.261 4.731 4.470 -0.000 0.000 0.289 61 S C 1.156 175.807 174.600 0.086 0.000 1.163 61 S CA -0.792 57.488 58.200 0.134 0.000 1.078 61 S CB 0.739 63.987 63.200 0.081 0.000 0.987 61 S HN 0.829 nan 8.310 nan 0.000 0.482 62 M N 5.114 124.733 119.600 0.032 0.000 2.156 62 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 62 M C 2.107 178.367 176.300 -0.066 0.000 1.067 62 M CA 1.567 56.793 55.300 -0.123 0.000 1.131 62 M CB -0.341 31.949 32.600 -0.516 0.000 1.368 62 M HN 0.813 nan 8.290 nan 0.000 0.416 63 K N 0.078 120.474 120.400 -0.007 0.000 2.063 63 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 63 K C 1.415 178.015 176.600 0.001 0.000 1.048 63 K CA 1.675 57.967 56.287 0.008 0.000 0.928 63 K CB -0.066 32.464 32.500 0.049 0.000 0.713 63 K HN 0.324 nan 8.250 nan 0.000 0.442 64 E N 0.222 120.431 120.200 0.014 0.000 2.418 64 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 64 E C 1.819 178.421 176.600 0.003 0.000 1.026 64 E CA 1.295 57.702 56.400 0.011 0.000 0.862 64 E CB -0.223 29.491 29.700 0.023 0.000 0.799 64 E HN 0.589 nan 8.360 nan 0.000 0.518 65 T N -1.577 112.974 114.554 -0.005 0.000 2.881 65 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 65 T C 1.786 176.467 174.700 -0.032 0.000 1.068 65 T CA 1.119 63.209 62.100 -0.016 0.000 1.131 65 T CB -0.064 68.787 68.868 -0.029 0.000 0.871 65 T HN 0.105 nan 8.240 nan 0.000 0.479 66 A N 0.908 123.705 122.820 -0.038 0.000 2.251 66 A HA 0.732 5.052 4.320 -0.000 0.000 0.209 66 A C 1.363 178.925 177.584 -0.038 0.000 1.187 66 A CA 0.124 52.132 52.037 -0.049 0.000 0.823 66 A CB -0.716 18.249 19.000 -0.059 0.000 0.846 66 A HN 0.783 nan 8.150 nan 0.000 0.486 67 A N 0.199 123.005 122.820 -0.024 0.000 2.407 67 A HA 0.585 4.905 4.320 -0.000 0.000 0.248 67 A C 0.819 178.390 177.584 -0.022 0.000 1.082 67 A CA 0.153 52.179 52.037 -0.018 0.000 0.785 67 A CB -0.106 18.889 19.000 -0.008 0.000 1.020 67 A HN 1.303 nan 8.150 nan 0.000 0.489 68 A N 0.993 123.800 122.820 -0.021 0.000 2.511 68 A HA 0.482 4.802 4.320 -0.000 0.000 0.242 68 A C 1.620 179.194 177.584 -0.017 0.000 1.069 68 A CA 0.796 52.820 52.037 -0.022 0.000 0.763 68 A CB -0.714 18.275 19.000 -0.019 0.000 1.001 68 A HN 2.743 nan 8.150 nan 0.000 0.498 69 G N 0.852 109.640 108.800 -0.019 0.000 2.225 69 G HA2 0.116 4.076 3.960 -0.000 0.000 0.254 69 G HA3 0.116 4.076 3.960 -0.000 0.000 0.254 69 G C 0.668 175.561 174.900 -0.013 0.000 0.988 69 G CA 0.460 45.551 45.100 -0.015 0.000 0.625 69 G HN 2.252 nan 8.290 nan 0.000 0.527 70 A N 1.660 124.472 122.820 -0.013 0.000 2.477 70 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 70 A C -1.132 176.441 177.584 -0.017 0.000 1.078 70 A CA -0.310 51.721 52.037 -0.009 0.000 0.770 70 A CB 0.035 19.030 19.000 -0.008 0.000 1.011 70 A HN 0.271 nan 8.150 nan 0.000 0.494 71 P HA 0.148 nan 4.420 nan 0.000 0.266 71 P C -0.531 176.750 177.300 -0.032 0.000 1.195 71 P CA 0.299 63.383 63.100 -0.027 0.000 0.768 71 P CB 0.416 32.098 31.700 -0.029 0.000 0.838 72 R N 1.927 122.402 120.500 -0.043 0.000 2.534 72 R HA 0.232 4.572 4.340 -0.000 0.000 0.301 72 R C 0.971 177.238 176.300 -0.055 0.000 0.961 72 R CA -0.950 55.121 56.100 -0.048 0.000 0.871 72 R CB 1.740 32.009 30.300 -0.052 0.000 1.170 72 R HN 0.326 nan 8.270 nan 0.000 0.446 73 L N 3.157 124.347 121.223 -0.055 0.000 2.017 73 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 73 L C 0.263 177.094 176.870 -0.065 0.000 1.073 73 L CA 1.867 56.670 54.840 -0.061 0.000 0.745 73 L CB -0.248 41.778 42.059 -0.055 0.000 0.894 73 L HN 0.778 nan 8.230 nan 0.000 0.432 74 N N -2.209 116.450 118.700 -0.067 0.000 2.927 74 N HA 0.456 5.196 4.740 -0.000 0.000 0.248 74 N C -1.029 174.435 175.510 -0.076 0.000 1.443 74 N CA -0.407 52.602 53.050 -0.069 0.000 0.870 74 N CB 1.192 39.634 38.487 -0.075 0.000 1.444 74 N HN 0.089 nan 8.380 nan 0.000 0.519 75 A N 0.900 123.675 122.820 -0.075 0.000 2.462 75 A HA 0.297 4.617 4.320 -0.000 0.000 0.243 75 A C 0.572 178.090 177.584 -0.109 0.000 1.076 75 A CA -0.365 51.623 52.037 -0.081 0.000 0.773 75 A CB -0.143 18.815 19.000 -0.069 0.000 1.010 75 A HN 0.583 nan 8.150 nan 0.000 0.493 76 L N 1.687 122.839 121.223 -0.118 0.000 2.514 76 L HA 0.074 4.414 4.340 -0.000 0.000 0.280 76 L C 1.637 178.396 176.870 -0.185 0.000 1.223 76 L CA 0.829 55.574 54.840 -0.159 0.000 0.864 76 L CB 0.611 42.576 42.059 -0.158 0.000 1.118 76 L HN 0.999 nan 8.230 nan 0.000 0.494 77 T N -1.110 113.295 114.554 -0.248 0.000 3.043 77 T HA 0.312 4.662 4.350 -0.000 0.000 0.272 77 T C -0.036 174.428 174.700 -0.393 0.000 0.990 77 T CA -0.015 61.924 62.100 -0.267 0.000 0.897 77 T CB 0.078 68.786 68.868 -0.267 0.000 1.111 77 T HN 0.352 nan 8.240 nan 0.000 0.529 78 V N -2.371 117.254 119.914 -0.481 0.000 3.102 78 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 78 V C -3.172 172.585 176.094 -0.562 0.000 1.135 78 V CA -3.176 58.654 62.300 -0.782 0.000 1.022 78 V CB 1.399 32.726 31.823 -0.827 0.000 1.056 78 V HN -0.158 nan 8.190 nan 0.000 0.436 79 P HA 0.249 nan 4.420 nan 0.000 0.266 79 P C -2.295 174.873 177.300 -0.219 0.000 1.195 79 P CA -1.010 61.908 63.100 -0.304 0.000 0.768 79 P CB -0.063 31.519 31.700 -0.196 0.000 0.838 80 P HA -0.228 nan 4.420 nan 0.000 0.217 80 P C 1.371 178.626 177.300 -0.075 0.000 1.151 80 P CA 1.541 64.580 63.100 -0.101 0.000 0.849 80 P CB -0.179 31.480 31.700 -0.068 0.000 0.787 81 E N -0.375 119.794 120.200 -0.052 0.000 2.347 81 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 81 E C 1.645 178.243 176.600 -0.004 0.000 1.008 81 E CA 1.001 57.393 56.400 -0.013 0.000 0.852 81 E CB -1.210 28.497 29.700 0.012 0.000 0.783 81 E HN 0.124 nan 8.360 nan 0.000 0.505 82 V N 1.439 121.329 119.914 -0.039 0.000 2.809 82 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 82 V C 2.492 178.567 176.094 -0.031 0.000 1.080 82 V CA 0.992 63.281 62.300 -0.020 0.000 1.102 82 V CB -0.138 31.609 31.823 -0.126 0.000 0.705 82 V HN 0.114 nan 8.190 nan 0.000 0.475 83 V N 0.508 120.384 119.914 -0.064 0.000 2.626 83 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 83 V C 1.772 177.850 176.094 -0.025 0.000 1.067 83 V CA 1.818 64.079 62.300 -0.064 0.000 1.081 83 V CB -0.724 31.050 31.823 -0.081 0.000 0.686 83 V HN 0.609 nan 8.190 nan 0.000 0.468 84 N N 0.345 119.050 118.700 0.009 0.000 2.376 84 N HA 0.042 4.782 4.740 -0.000 0.000 0.249 84 N C 1.166 176.726 175.510 0.084 0.000 1.140 84 N CA 0.004 53.086 53.050 0.052 0.000 0.870 84 N CB -0.511 38.006 38.487 0.050 0.000 1.124 84 N HN 0.350 nan 8.380 nan 0.000 0.505 85 N N 0.134 118.887 118.700 0.089 0.000 2.104 85 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 85 N C 1.475 177.085 175.510 0.166 0.000 1.024 85 N CA 1.306 54.436 53.050 0.132 0.000 0.853 85 N CB 0.073 38.657 38.487 0.163 0.000 1.008 85 N HN 0.212 nan 8.380 nan 0.000 0.424 86 M N -0.371 119.335 119.600 0.177 0.000 2.200 86 M HA 0.056 4.536 4.480 -0.000 0.000 0.265 86 M C 2.068 178.455 176.300 0.145 0.000 1.066 86 M CA 1.076 56.494 55.300 0.196 0.000 1.127 86 M CB -1.385 31.339 32.600 0.207 0.000 1.379 86 M HN 0.294 nan 8.290 nan 0.000 0.420 87 G N 0.771 109.653 108.800 0.137 0.000 2.446 87 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 87 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 87 G C 1.334 176.278 174.900 0.073 0.000 1.168 87 G CA 0.947 46.105 45.100 0.097 0.000 0.771 87 G HN 0.407 nan 8.290 nan 0.000 0.551 88 N N 0.713 119.457 118.700 0.073 0.000 2.166 88 N HA -0.047 4.693 4.740 -0.000 0.000 0.186 88 N C 2.198 177.728 175.510 0.034 0.000 1.019 88 N CA 0.761 53.840 53.050 0.049 0.000 0.856 88 N CB -0.311 38.204 38.487 0.047 0.000 0.993 88 N HN 0.375 nan 8.380 nan 0.000 0.426 89 I N 1.057 121.660 120.570 0.054 0.000 2.179 89 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 89 I C 2.295 178.438 176.117 0.044 0.000 1.088 89 I CA 1.119 62.441 61.300 0.037 0.000 1.357 89 I CB -0.287 37.764 38.000 0.085 0.000 1.051 89 I HN 0.081 nan 8.210 nan 0.000 0.409 90 A N 0.271 123.127 122.820 0.060 0.000 1.858 90 A HA -0.314 4.006 4.320 -0.000 0.000 0.216 90 A C 2.014 179.625 177.584 0.045 0.000 1.190 90 A CA 2.425 54.494 52.037 0.053 0.000 0.617 90 A CB -0.867 18.163 19.000 0.050 0.000 0.827 90 A HN 0.422 nan 8.150 nan 0.000 0.443 91 D N -0.498 119.926 120.400 0.039 0.000 2.178 91 D HA 0.014 4.654 4.640 -0.000 0.000 0.201 91 D C 1.814 178.135 176.300 0.034 0.000 0.980 91 D CA 1.251 55.269 54.000 0.030 0.000 0.842 91 D CB -0.137 40.678 40.800 0.025 0.000 0.948 91 D HN 0.369 nan 8.370 nan 0.000 0.472 92 A N -0.742 122.103 122.820 0.042 0.000 2.239 92 A HA 0.357 4.677 4.320 -0.000 0.000 0.209 92 A C 1.773 179.458 177.584 0.169 0.000 1.171 92 A CA 1.061 53.141 52.037 0.071 0.000 0.768 92 A CB -0.598 18.403 19.000 0.003 0.000 0.790 92 A HN 0.406 nan 8.150 nan 0.000 0.478 93 G N -1.487 107.394 108.800 0.135 0.000 2.137 93 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.237 93 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.237 93 G C 0.433 175.478 174.900 0.241 0.000 1.002 93 G CA 0.426 45.641 45.100 0.191 0.000 0.702 93 G HN 0.552 nan 8.290 nan 0.000 0.515 94 L N -0.930 120.370 121.223 0.128 0.000 2.766 94 L HA 0.328 4.668 4.340 -0.000 0.000 0.242 94 L C 2.434 179.318 176.870 0.023 0.000 1.136 94 L CA 0.239 55.110 54.840 0.051 0.000 0.933 94 L CB 0.063 42.105 42.059 -0.030 0.000 1.241 94 L HN 0.279 nan 8.230 nan 0.000 0.522 95 R N 1.015 121.542 120.500 0.045 0.000 2.073 95 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 95 R C 2.163 178.482 176.300 0.032 0.000 1.134 95 R CA 1.413 57.539 56.100 0.042 0.000 0.952 95 R CB 0.128 30.461 30.300 0.055 0.000 0.850 95 R HN 0.144 nan 8.270 nan 0.000 0.433 96 K N 0.011 120.433 120.400 0.037 0.000 2.057 96 K HA -0.116 4.203 4.320 -0.000 0.000 0.207 96 K C 2.058 178.666 176.600 0.013 0.000 1.049 96 K CA 1.345 57.650 56.287 0.029 0.000 0.931 96 K CB -0.224 32.298 32.500 0.037 0.000 0.714 96 K HN 0.281 nan 8.250 nan 0.000 0.440 97 A N 1.091 123.913 122.820 0.004 0.000 1.877 97 A HA -0.137 4.182 4.320 -0.000 0.000 0.216 97 A C 2.447 180.003 177.584 -0.047 0.000 1.186 97 A CA 1.670 53.694 52.037 -0.022 0.000 0.620 97 A CB -0.752 18.227 19.000 -0.035 0.000 0.822 97 A HN 0.077 nan 8.150 nan 0.000 0.443 98 V N -0.006 119.866 119.914 -0.070 0.000 2.295 98 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 98 V C 2.704 178.760 176.094 -0.063 0.000 1.049 98 V CA 2.063 64.278 62.300 -0.141 0.000 1.024 98 V CB -0.700 30.984 31.823 -0.232 0.000 0.648 98 V HN 0.497 nan 8.190 nan 0.000 0.447 99 M N -0.109 119.490 119.600 -0.002 0.000 2.108 99 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 99 M C 2.186 178.499 176.300 0.022 0.000 1.066 99 M CA 1.849 57.170 55.300 0.036 0.000 1.107 99 M CB -1.252 31.375 32.600 0.045 0.000 1.356 99 M HN 0.307 nan 8.290 nan 0.000 0.406 100 K N 0.660 121.063 120.400 0.005 0.000 2.097 100 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 100 K C 1.850 178.448 176.600 -0.005 0.000 1.050 100 K CA 1.694 57.983 56.287 0.002 0.000 0.938 100 K CB -0.534 31.965 32.500 -0.002 0.000 0.718 100 K HN 0.214 nan 8.250 nan 0.000 0.442 101 A N 0.880 123.689 122.820 -0.018 0.000 1.969 101 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 101 A C 1.945 179.525 177.584 -0.006 0.000 1.169 101 A CA 1.456 53.479 52.037 -0.024 0.000 0.635 101 A CB -0.738 18.234 19.000 -0.047 0.000 0.810 101 A HN 0.530 nan 8.150 nan 0.000 0.445 102 I N -3.769 116.811 120.570 0.015 0.000 3.904 102 I HA 0.219 4.389 4.170 -0.000 0.000 0.333 102 I C 0.589 176.729 176.117 0.038 0.000 1.361 102 I CA 0.046 61.374 61.300 0.046 0.000 1.116 102 I CB 0.007 38.084 38.000 0.129 0.000 1.028 102 I HN 0.032 nan 8.210 nan 0.000 0.398 103 T N 3.065 117.634 114.554 0.025 0.000 2.817 103 T HA 0.330 4.680 4.350 -0.000 0.000 0.293 103 T C -1.081 173.631 174.700 0.019 0.000 0.964 103 T CA -1.557 60.556 62.100 0.023 0.000 1.085 103 T CB 1.031 69.911 68.868 0.021 0.000 0.921 103 T HN 0.123 nan 8.240 nan 0.000 0.502 104 P HA -0.052 nan 4.420 nan 0.000 0.221 104 P C 0.962 178.280 177.300 0.030 0.000 1.145 104 P CA 0.952 64.071 63.100 0.032 0.000 0.795 104 P CB 0.190 31.916 31.700 0.043 0.000 0.775 105 K N -0.168 120.247 120.400 0.025 0.000 2.515 105 K HA 0.100 4.419 4.320 -0.000 0.000 0.196 105 K C 0.913 177.524 176.600 0.017 0.000 1.038 105 K CA -0.049 56.252 56.287 0.022 0.000 0.967 105 K CB -0.259 32.253 32.500 0.020 0.000 0.780 105 K HN 0.093 nan 8.250 nan 0.000 0.483 106 A N 3.748 126.576 122.820 0.013 0.000 2.546 106 A HA 0.074 4.393 4.320 -0.000 0.000 0.243 106 A C -2.067 175.522 177.584 0.008 0.000 1.063 106 A CA -1.007 51.033 52.037 0.005 0.000 0.757 106 A CB -0.281 18.717 19.000 -0.004 0.000 0.991 106 A HN 0.039 nan 8.150 nan 0.000 0.503 107 P HA 0.207 nan 4.420 nan 0.000 0.270 107 P C 1.121 178.428 177.300 0.012 0.000 1.223 107 P CA 1.159 64.265 63.100 0.011 0.000 0.785 107 P CB 0.520 32.224 31.700 0.007 0.000 0.923 108 G N 0.667 109.483 108.800 0.026 0.000 2.270 108 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.268 108 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.268 108 G C 0.818 175.761 174.900 0.071 0.000 0.982 108 G CA 0.398 45.523 45.100 0.041 0.000 0.628 108 G HN 0.574 nan 8.290 nan 0.000 0.544 109 L N 0.777 122.033 121.223 0.055 0.000 2.068 109 L HA 0.182 4.522 4.340 -0.000 0.000 0.204 109 L C 2.436 179.393 176.870 0.145 0.000 1.076 109 L CA 2.905 57.789 54.840 0.074 0.000 0.753 109 L CB -0.717 41.361 42.059 0.031 0.000 0.910 109 L HN 0.544 nan 8.230 nan 0.000 0.439 110 E N -0.511 119.749 120.200 0.100 0.000 2.110 110 E HA -0.321 4.029 4.350 -0.000 0.000 0.193 110 E C 2.109 178.764 176.600 0.091 0.000 0.988 110 E CA 1.502 57.957 56.400 0.090 0.000 0.804 110 E CB 0.099 29.836 29.700 0.061 0.000 0.745 110 E HN 0.381 nan 8.360 nan 0.000 0.458 111 Q N -0.291 119.568 119.800 0.097 0.000 2.123 111 Q HA -0.121 4.219 4.340 -0.000 0.000 0.199 111 Q C 1.754 177.810 176.000 0.094 0.000 0.966 111 Q CA 1.432 57.281 55.803 0.078 0.000 0.845 111 Q CB -0.519 28.261 28.738 0.070 0.000 0.907 111 Q HN 0.430 nan 8.270 nan 0.000 0.439 112 F N -0.067 119.890 119.950 0.010 0.000 2.120 112 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 112 F C 1.661 177.467 175.800 0.009 0.000 1.095 112 F CA 1.395 59.402 58.000 0.011 0.000 1.249 112 F CB -0.176 38.832 39.000 0.013 0.000 0.995 112 F HN 0.136 nan 8.300 nan 0.000 0.480 113 L N 0.012 121.293 121.223 0.098 0.000 2.017 113 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 113 L C 2.770 179.581 176.870 -0.099 0.000 1.073 113 L CA 1.481 56.317 54.840 -0.008 0.000 0.745 113 L CB -0.505 41.598 42.059 0.073 0.000 0.894 113 L HN 0.075 nan 8.230 nan 0.000 0.432 114 R N -0.208 120.263 120.500 -0.048 0.000 2.083 114 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 114 R C 1.870 178.120 176.300 -0.084 0.000 1.137 114 R CA 1.805 57.876 56.100 -0.048 0.000 0.951 114 R CB -0.641 29.651 30.300 -0.014 0.000 0.851 114 R HN 0.395 nan 8.270 nan 0.000 0.434 115 D N -0.122 120.208 120.400 -0.116 0.000 2.104 115 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 115 D C 1.884 178.063 176.300 -0.202 0.000 0.994 115 D CA 1.621 55.537 54.000 -0.140 0.000 0.830 115 D CB -0.490 40.224 40.800 -0.143 0.000 0.959 115 D HN 0.179 nan 8.370 nan 0.000 0.452 116 T N 0.500 114.842 114.554 -0.354 0.000 2.708 116 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 116 T C 2.027 176.632 174.700 -0.158 0.000 1.037 116 T CA 1.668 63.564 62.100 -0.340 0.000 1.146 116 T CB -0.436 68.105 68.868 -0.544 0.000 0.865 116 T HN 0.216 nan 8.240 nan 0.000 0.435 117 A N 2.474 125.225 122.820 -0.115 0.000 1.877 117 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 117 A C 2.299 179.930 177.584 0.078 0.000 1.186 117 A CA 1.530 53.586 52.037 0.032 0.000 0.620 117 A CB -0.669 18.352 19.000 0.035 0.000 0.822 117 A HN 0.444 nan 8.150 nan 0.000 0.443 118 N N 0.040 118.734 118.700 -0.010 0.000 2.142 118 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 118 N C 2.019 177.506 175.510 -0.039 0.000 1.023 118 N CA 1.508 54.539 53.050 -0.032 0.000 0.852 118 N CB -0.314 38.149 38.487 -0.041 0.000 0.998 118 N HN 0.424 nan 8.380 nan 0.000 0.424 119 S N 1.428 117.100 115.700 -0.047 0.000 2.370 119 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 119 S C 2.187 176.773 174.600 -0.024 0.000 1.033 119 S CA 0.726 58.900 58.200 -0.043 0.000 1.011 119 S CB -0.208 62.956 63.200 -0.060 0.000 0.852 119 S HN 0.227 nan 8.310 nan 0.000 0.457 120 L N 0.788 122.015 121.223 0.006 0.000 2.046 120 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 120 L C 2.222 179.099 176.870 0.012 0.000 1.077 120 L CA 1.033 55.905 54.840 0.053 0.000 0.747 120 L CB -0.491 41.667 42.059 0.164 0.000 0.896 120 L HN 0.287 nan 8.230 nan 0.000 0.432 121 L N -0.734 120.462 121.223 -0.045 0.000 2.056 121 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 121 L C 2.233 178.995 176.870 -0.180 0.000 1.078 121 L CA 0.933 55.641 54.840 -0.219 0.000 0.749 121 L CB -0.609 41.264 42.059 -0.309 0.000 0.901 121 L HN 0.236 nan 8.230 nan 0.000 0.433 122 D N 0.158 120.494 120.400 -0.107 0.000 2.116 122 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 122 D C 1.927 178.201 176.300 -0.043 0.000 0.998 122 D CA 1.231 55.190 54.000 -0.070 0.000 0.836 122 D CB -0.352 40.421 40.800 -0.045 0.000 0.951 122 D HN 0.283 nan 8.370 nan 0.000 0.449 123 N N 0.265 118.946 118.700 -0.033 0.000 2.166 123 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 123 N C 2.102 177.613 175.510 0.001 0.000 1.019 123 N CA 0.374 53.419 53.050 -0.009 0.000 0.856 123 N CB -0.441 38.044 38.487 -0.003 0.000 0.993 123 N HN 0.268 nan 8.380 nan 0.000 0.426 124 L N 0.555 121.758 121.223 -0.032 0.000 2.046 124 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 124 L C 2.124 179.044 176.870 0.083 0.000 1.077 124 L CA 0.899 55.731 54.840 -0.013 0.000 0.747 124 L CB -0.356 41.611 42.059 -0.154 0.000 0.896 124 L HN 0.088 nan 8.230 nan 0.000 0.432 125 I N -0.744 119.825 120.570 -0.002 0.000 2.315 125 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 125 I C 2.500 178.725 176.117 0.182 0.000 1.117 125 I CA 1.260 62.661 61.300 0.168 0.000 1.404 125 I CB -0.403 37.601 38.000 0.007 0.000 1.071 125 I HN 0.233 nan 8.210 nan 0.000 0.419 126 T N 0.225 114.830 114.554 0.084 0.000 2.708 126 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 126 T C 1.774 176.515 174.700 0.069 0.000 1.037 126 T CA 1.218 63.355 62.100 0.062 0.000 1.146 126 T CB -0.162 68.725 68.868 0.033 0.000 0.865 126 T HN 0.298 nan 8.240 nan 0.000 0.435 127 E N 0.510 120.757 120.200 0.078 0.000 2.268 127 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 127 E C 1.288 177.933 176.600 0.074 0.000 0.995 127 E CA 0.535 56.975 56.400 0.067 0.000 0.836 127 E CB -0.478 29.260 29.700 0.064 0.000 0.763 127 E HN 0.592 nan 8.360 nan 0.000 0.491 128 G N 0.767 109.649 108.800 0.137 0.000 2.733 128 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 128 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 128 G C -0.037 174.851 174.900 -0.019 0.000 1.373 128 G CA -0.395 44.739 45.100 0.057 0.000 0.838 128 G HN 0.418 nan 8.290 nan 0.000 0.588 129 A N 2.340 124.913 122.820 -0.412 0.000 2.466 129 A HA 0.689 5.009 4.320 -0.000 0.000 0.238 129 A C -0.633 176.827 177.584 -0.205 0.000 1.074 129 A CA 0.158 51.908 52.037 -0.478 0.000 0.774 129 A CB -0.197 18.253 19.000 -0.918 0.000 1.015 129 A HN 1.124 nan 8.150 nan 0.000 0.498 130 P HA 0.520 nan 4.420 nan 0.000 0.279 130 P C -0.743 176.607 177.300 0.083 0.000 1.239 130 P CA -0.079 63.001 63.100 -0.034 0.000 0.789 130 P CB 1.394 33.075 31.700 -0.031 0.000 0.933 131 A N 1.678 124.626 122.820 0.214 0.000 2.337 131 A HA 0.397 4.717 4.320 -0.000 0.000 0.329 131 A C -0.390 177.254 177.584 0.099 0.000 1.146 131 A CA -0.520 51.632 52.037 0.191 0.000 0.800 131 A CB 0.658 19.814 19.000 0.260 0.000 1.220 131 A HN 0.514 nan 8.150 nan 0.000 0.472 132 D N 2.619 123.054 120.400 0.059 0.000 2.441 132 D HA 0.277 4.917 4.640 -0.000 0.000 0.221 132 D C 0.698 177.028 176.300 0.049 0.000 1.156 132 D CA -0.149 53.872 54.000 0.035 0.000 0.896 132 D CB 0.380 41.190 40.800 0.017 0.000 1.028 132 D HN 0.432 nan 8.370 nan 0.000 0.509 133 L N 3.034 124.289 121.223 0.053 0.000 2.465 133 L HA 0.022 4.362 4.340 -0.000 0.000 0.224 133 L C 2.339 179.293 176.870 0.140 0.000 1.145 133 L CA 0.280 55.188 54.840 0.115 0.000 0.834 133 L CB -0.065 42.045 42.059 0.084 0.000 0.944 133 L HN 0.331 nan 8.230 nan 0.000 0.451 134 R N 0.481 121.017 120.500 0.060 0.000 2.046 134 R HA -0.052 4.287 4.340 -0.000 0.000 0.223 134 R C 2.023 178.330 176.300 0.011 0.000 1.179 134 R CA 1.141 57.261 56.100 0.033 0.000 0.952 134 R CB 0.029 30.331 30.300 0.004 0.000 0.843 134 R HN 0.292 nan 8.270 nan 0.000 0.439 135 N N 0.532 119.233 118.700 0.002 0.000 2.331 135 N HA -0.094 4.646 4.740 -0.000 0.000 0.180 135 N C 0.095 175.587 175.510 -0.029 0.000 1.019 135 N CA 1.004 54.038 53.050 -0.026 0.000 0.881 135 N CB 0.157 38.639 38.487 -0.009 0.000 0.972 135 N HN 0.322 nan 8.380 nan 0.000 0.435 136 D N -1.396 119.017 120.400 0.023 0.000 2.431 136 D HA 0.138 4.778 4.640 -0.000 0.000 0.213 136 D C 0.515 176.892 176.300 0.128 0.000 1.130 136 D CA -0.096 53.928 54.000 0.041 0.000 0.834 136 D CB 0.514 41.337 40.800 0.039 0.000 0.985 136 D HN 0.203 nan 8.370 nan 0.000 0.504 137 F N 0.295 120.201 119.950 -0.073 0.000 1.832 137 F HA 0.264 4.791 4.527 -0.000 0.000 0.236 137 F C 1.870 177.635 175.800 -0.058 0.000 1.180 137 F CA 0.303 58.255 58.000 -0.079 0.000 1.297 137 F CB -0.079 38.865 39.000 -0.093 0.000 1.748 137 F HN -0.141 nan 8.300 nan 0.000 0.453 138 A N 0.480 123.167 122.820 -0.222 0.000 1.877 138 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 138 A C 1.643 179.143 177.584 -0.140 0.000 1.186 138 A CA 2.329 54.201 52.037 -0.274 0.000 0.620 138 A CB -0.976 17.991 19.000 -0.055 0.000 0.822 138 A HN 0.531 nan 8.150 nan 0.000 0.443 139 D N -0.641 119.689 120.400 -0.118 0.000 2.103 139 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 139 D C -0.438 175.723 176.300 -0.231 0.000 0.978 139 D CA 1.334 55.236 54.000 -0.163 0.000 0.829 139 D CB -1.543 39.105 40.800 -0.253 0.000 0.981 139 D HN 0.280 nan 8.370 nan 0.000 0.464 140 P HA -0.115 nan 4.420 nan 0.000 0.215 140 P C 1.777 179.023 177.300 -0.091 0.000 1.153 140 P CA 0.635 63.636 63.100 -0.165 0.000 0.853 140 P CB 0.013 31.641 31.700 -0.121 0.000 0.788 141 L N -0.090 121.044 121.223 -0.148 0.000 2.013 141 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 141 L C 2.286 179.232 176.870 0.128 0.000 1.073 141 L CA 2.309 57.079 54.840 -0.116 0.000 0.753 141 L CB -1.537 40.274 42.059 -0.413 0.000 0.890 141 L HN -0.097 nan 8.230 nan 0.000 0.432 142 A N -1.957 120.987 122.820 0.206 0.000 1.902 142 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 142 A C 2.268 179.962 177.584 0.184 0.000 1.181 142 A CA 2.257 54.392 52.037 0.164 0.000 0.623 142 A CB -1.144 17.834 19.000 -0.037 0.000 0.818 142 A HN 0.523 nan 8.150 nan 0.000 0.443 143 T N 0.014 114.625 114.554 0.095 0.000 2.821 143 T HA 0.072 4.422 4.350 -0.000 0.000 0.267 143 T C 2.207 177.080 174.700 0.288 0.000 1.046 143 T CA 1.371 63.579 62.100 0.180 0.000 1.139 143 T CB -0.329 68.621 68.868 0.136 0.000 0.871 143 T HN 0.574 nan 8.240 nan 0.000 0.454 144 A N 1.509 124.468 122.820 0.233 0.000 1.872 144 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 144 A C 2.210 180.039 177.584 0.410 0.000 1.187 144 A CA 1.128 53.359 52.037 0.324 0.000 0.614 144 A CB -0.869 18.291 19.000 0.265 0.000 0.826 144 A HN 0.393 nan 8.150 nan 0.000 0.442 145 L N -0.200 121.235 121.223 0.353 0.000 1.997 145 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 145 L C 2.214 179.099 176.870 0.024 0.000 1.074 145 L CA 2.826 57.801 54.840 0.225 0.000 0.763 145 L CB -1.111 41.038 42.059 0.149 0.000 0.890 145 L HN 0.559 nan 8.230 nan 0.000 0.434 146 H N -2.045 117.111 119.070 0.144 0.000 2.423 146 H HA -0.074 4.482 4.556 -0.000 0.000 0.297 146 H C 2.337 177.832 175.328 0.278 0.000 1.075 146 H CA 1.590 57.733 56.048 0.159 0.000 1.342 146 H CB -0.537 29.220 29.762 -0.008 0.000 1.395 146 H HN 0.428 nan 8.280 nan 0.000 0.530 147 C N 0.431 119.964 119.300 0.388 0.000 2.429 147 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 147 C C 2.646 177.686 174.990 0.082 0.000 1.262 147 C CA 1.119 60.293 59.018 0.259 0.000 1.733 147 C CB -0.387 27.489 27.740 0.226 0.000 2.010 147 C HN 0.463 nan 8.230 nan 0.000 0.483 148 K N 1.116 121.493 120.400 -0.038 0.000 2.025 148 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 148 K C 1.809 178.328 176.600 -0.136 0.000 1.049 148 K CA 1.448 57.588 56.287 -0.244 0.000 0.933 148 K CB -0.653 31.472 32.500 -0.624 0.000 0.714 148 K HN 0.272 nan 8.250 nan 0.000 0.438 149 V N 0.685 120.553 119.914 -0.076 0.000 2.332 149 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 149 V C 2.014 178.115 176.094 0.012 0.000 1.055 149 V CA 1.564 63.839 62.300 -0.041 0.000 1.038 149 V CB -0.372 31.414 31.823 -0.061 0.000 0.651 149 V HN 0.218 nan 8.190 nan 0.000 0.450 150 L N 0.226 121.494 121.223 0.076 0.000 2.418 150 L HA 0.272 4.612 4.340 -0.000 0.000 0.218 150 L C 1.813 178.705 176.870 0.037 0.000 1.125 150 L CA 1.487 56.381 54.840 0.091 0.000 0.835 150 L CB -0.719 41.451 42.059 0.185 0.000 0.953 150 L HN 0.492 nan 8.230 nan 0.000 0.454 151 G N 0.345 109.150 108.800 0.008 0.000 2.147 151 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 151 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 151 G C 0.423 175.324 174.900 0.002 0.000 1.005 151 G CA 0.494 45.583 45.100 -0.019 0.000 0.713 151 G HN 0.465 nan 8.290 nan 0.000 0.515 152 I N -2.187 118.409 120.570 0.043 0.000 2.577 152 I HA 0.734 4.904 4.170 -0.000 0.000 0.300 152 I C -2.084 174.075 176.117 0.070 0.000 0.990 152 I CA -3.159 58.184 61.300 0.071 0.000 1.283 152 I CB 1.022 39.105 38.000 0.140 0.000 1.411 152 I HN -0.151 nan 8.210 nan 0.000 0.515 153 P HA 0.032 nan 4.420 nan 0.000 0.264 153 P C 0.074 177.420 177.300 0.077 0.000 1.193 153 P CA -0.072 63.069 63.100 0.069 0.000 0.763 153 P CB 0.515 32.259 31.700 0.075 0.000 0.810 154 Q N 3.149 122.998 119.800 0.082 0.000 2.152 154 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 154 Q C 1.707 177.756 176.000 0.081 0.000 0.985 154 Q CA 1.866 57.734 55.803 0.107 0.000 0.863 154 Q CB -0.358 28.461 28.738 0.136 0.000 0.904 154 Q HN 0.688 nan 8.270 nan 0.000 0.422 155 E N 0.420 120.656 120.200 0.060 0.000 2.267 155 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 155 E C 0.385 176.992 176.600 0.013 0.000 0.998 155 E CA 1.249 57.673 56.400 0.039 0.000 0.830 155 E CB -0.067 29.655 29.700 0.036 0.000 0.751 155 E HN 0.250 nan 8.360 nan 0.000 0.491 156 D N 0.820 121.220 120.400 -0.001 0.000 2.349 156 D HA 0.033 4.673 4.640 -0.000 0.000 0.215 156 D C 1.786 177.992 176.300 -0.157 0.000 1.016 156 D CA 0.834 54.770 54.000 -0.105 0.000 0.870 156 D CB 0.042 40.779 40.800 -0.105 0.000 0.917 156 D HN 0.375 nan 8.370 nan 0.000 0.524 157 G N 2.165 110.952 108.800 -0.022 0.000 2.433 157 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 157 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 157 G C -0.651 174.329 174.900 0.133 0.000 1.186 157 G CA 0.349 45.493 45.100 0.074 0.000 0.779 157 G HN 0.272 nan 8.290 nan 0.000 0.543 158 P HA -0.112 nan 4.420 nan 0.000 0.216 158 P C 1.850 179.241 177.300 0.151 0.000 1.153 158 P CA 1.903 65.093 63.100 0.150 0.000 0.858 158 P CB -0.082 31.664 31.700 0.077 0.000 0.789 159 K N -0.001 120.412 120.400 0.020 0.000 2.001 159 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 159 K C 2.094 178.658 176.600 -0.061 0.000 1.048 159 K CA 1.407 57.673 56.287 -0.034 0.000 0.932 159 K CB -1.432 31.000 32.500 -0.113 0.000 0.715 159 K HN 0.124 nan 8.250 nan 0.000 0.437 160 L N 0.400 121.512 121.223 -0.184 0.000 2.042 160 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 160 L C 2.735 179.685 176.870 0.133 0.000 1.076 160 L CA 1.512 56.216 54.840 -0.226 0.000 0.749 160 L CB -0.578 41.004 42.059 -0.795 0.000 0.893 160 L HN 0.158 nan 8.230 nan 0.000 0.432 161 F N 0.927 121.006 119.950 0.216 0.000 2.161 161 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 161 F C 2.745 178.648 175.800 0.172 0.000 1.089 161 F CA 1.614 59.794 58.000 0.299 0.000 1.282 161 F CB -0.262 38.876 39.000 0.230 0.000 1.010 161 F HN -0.100 nan 8.300 nan 0.000 0.485 162 R N 0.004 120.529 120.500 0.041 0.000 2.127 162 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 162 R C 2.121 178.367 176.300 -0.090 0.000 1.134 162 R CA 1.611 57.691 56.100 -0.034 0.000 0.975 162 R CB -0.424 29.907 30.300 0.052 0.000 0.865 162 R HN 0.297 nan 8.270 nan 0.000 0.447 163 S N 0.768 116.444 115.700 -0.040 0.000 2.442 163 S HA -0.072 4.398 4.470 -0.000 0.000 0.236 163 S C 1.699 176.314 174.600 0.025 0.000 1.007 163 S CA 0.887 59.093 58.200 0.011 0.000 0.965 163 S CB -0.081 63.155 63.200 0.061 0.000 0.773 163 S HN 0.334 nan 8.310 nan 0.000 0.504 164 L N 1.749 122.941 121.223 -0.052 0.000 2.217 164 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 164 L C 2.544 179.538 176.870 0.207 0.000 1.107 164 L CA 1.130 56.024 54.840 0.090 0.000 0.783 164 L CB -0.747 41.264 42.059 -0.080 0.000 0.919 164 L HN 0.409 nan 8.230 nan 0.000 0.442 165 S N -0.558 115.160 115.700 0.030 0.000 2.481 165 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 165 S C 1.697 176.434 174.600 0.227 0.000 0.996 165 S CA 0.624 58.870 58.200 0.076 0.000 0.942 165 S CB -0.212 62.924 63.200 -0.107 0.000 0.768 165 S HN 0.418 nan 8.310 nan 0.000 0.520 166 I N 0.860 121.528 120.570 0.164 0.000 3.039 166 I HA 0.212 4.382 4.170 -0.000 0.000 0.270 166 I C 2.835 179.001 176.117 0.081 0.000 1.150 166 I CA 0.612 61.986 61.300 0.123 0.000 1.448 166 I CB -0.472 37.563 38.000 0.058 0.000 1.197 166 I HN 0.344 nan 8.210 nan 0.000 0.450 167 A N 0.806 123.660 122.820 0.057 0.000 1.978 167 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 167 A C 1.603 178.935 177.584 -0.419 0.000 1.170 167 A CA 1.669 53.629 52.037 -0.127 0.000 0.636 167 A CB -0.698 18.265 19.000 -0.062 0.000 0.810 167 A HN 0.435 nan 8.150 nan 0.000 0.448 168 F N -0.864 119.005 119.950 -0.135 0.000 2.647 168 F HA 0.378 4.905 4.527 -0.000 0.000 0.300 168 F C 0.790 176.175 175.800 -0.693 0.000 1.106 168 F CA -0.379 57.332 58.000 -0.481 0.000 1.313 168 F CB -0.157 38.426 39.000 -0.694 0.000 1.007 168 F HN 0.026 nan 8.300 nan 0.000 0.536 169 M N -0.079 119.472 119.600 -0.082 0.000 2.240 169 M HA -0.000 4.480 4.480 -0.000 0.000 0.317 169 M C 0.680 176.929 176.300 -0.085 0.000 1.087 169 M CA 0.635 55.966 55.300 0.050 0.000 1.176 169 M CB 0.527 33.193 32.600 0.111 0.000 1.439 169 M HN -0.069 nan 8.290 nan 0.000 0.452 170 S N 1.413 117.101 115.700 -0.019 0.000 2.399 170 S HA 0.352 4.822 4.470 -0.000 0.000 0.215 170 S C -0.892 173.698 174.600 -0.017 0.000 1.456 170 S CA -0.531 57.641 58.200 -0.046 0.000 1.199 170 S CB 0.572 63.743 63.200 -0.049 0.000 1.063 170 S HN 0.653 nan 8.310 nan 0.000 0.476 171 S N 2.879 118.560 115.700 -0.031 0.000 2.501 171 S HA 0.706 5.176 4.470 -0.000 0.000 0.301 171 S C 1.205 175.786 174.600 -0.033 0.000 1.096 171 S CA -0.166 58.022 58.200 -0.021 0.000 1.063 171 S CB 1.389 64.577 63.200 -0.021 0.000 1.042 171 S HN 0.813 nan 8.310 nan 0.000 0.494 172 A N 3.299 126.103 122.820 -0.026 0.000 2.019 172 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 172 A C 0.481 178.046 177.584 -0.032 0.000 1.164 172 A CA 1.128 53.147 52.037 -0.030 0.000 0.644 172 A CB -0.281 18.704 19.000 -0.024 0.000 0.805 172 A HN 0.813 nan 8.150 nan 0.000 0.449 173 D N -1.537 118.846 120.400 -0.029 0.000 2.490 173 D HA 0.476 5.116 4.640 -0.000 0.000 0.232 173 D C -2.970 173.309 176.300 -0.035 0.000 1.053 173 D CA -1.619 52.363 54.000 -0.030 0.000 0.914 173 D CB 1.012 41.800 40.800 -0.021 0.000 1.431 173 D HN -0.141 nan 8.370 nan 0.000 0.483 174 P HA 0.178 nan 4.420 nan 0.000 0.267 174 P C -0.428 176.852 177.300 -0.034 0.000 1.200 174 P CA 0.140 63.213 63.100 -0.044 0.000 0.772 174 P CB 0.573 32.249 31.700 -0.041 0.000 0.855 175 I N 4.268 124.815 120.570 -0.037 0.000 2.390 175 I HA 0.214 4.384 4.170 -0.000 0.000 0.283 175 I C -1.508 174.600 176.117 -0.016 0.000 1.016 175 I CA -2.115 59.171 61.300 -0.023 0.000 1.151 175 I CB 1.777 39.764 38.000 -0.022 0.000 1.293 175 I HN 0.240 nan 8.210 nan 0.000 0.458 176 P HA -0.268 nan 4.420 nan 0.000 0.216 176 P C 1.627 178.934 177.300 0.012 0.000 1.157 176 P CA 1.470 64.571 63.100 0.001 0.000 0.880 176 P CB 0.283 31.985 31.700 0.003 0.000 0.791 177 A N -0.310 122.518 122.820 0.013 0.000 1.978 177 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 177 A C 2.324 179.929 177.584 0.035 0.000 1.170 177 A CA 2.187 54.238 52.037 0.023 0.000 0.636 177 A CB -1.541 17.472 19.000 0.021 0.000 0.810 177 A HN 0.227 nan 8.150 nan 0.000 0.448 178 A N -0.318 122.514 122.820 0.021 0.000 1.902 178 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 178 A C 2.142 179.771 177.584 0.075 0.000 1.181 178 A CA 1.993 54.045 52.037 0.026 0.000 0.623 178 A CB -0.424 18.555 19.000 -0.035 0.000 0.818 178 A HN 0.559 nan 8.150 nan 0.000 0.443 179 K N -0.375 120.056 120.400 0.052 0.000 2.097 179 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 179 K C 1.810 178.493 176.600 0.139 0.000 1.050 179 K CA 1.278 57.623 56.287 0.098 0.000 0.938 179 K CB -0.303 32.224 32.500 0.044 0.000 0.718 179 K HN 0.504 nan 8.250 nan 0.000 0.442 180 I N 1.694 122.316 120.570 0.087 0.000 2.127 180 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 180 I C 1.993 178.160 176.117 0.083 0.000 1.075 180 I CA 1.234 62.578 61.300 0.073 0.000 1.334 180 I CB -0.434 37.593 38.000 0.045 0.000 1.040 180 I HN 0.232 nan 8.210 nan 0.000 0.405 181 N N 0.200 118.954 118.700 0.090 0.000 2.120 181 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 181 N C 1.560 177.137 175.510 0.112 0.000 1.024 181 N CA 1.242 54.340 53.050 0.081 0.000 0.852 181 N CB -0.502 38.032 38.487 0.078 0.000 1.003 181 N HN 0.553 nan 8.380 nan 0.000 0.424 182 W N 2.641 123.939 121.300 -0.004 0.000 2.333 182 W HA -0.198 4.462 4.660 -0.000 0.000 0.316 182 W C 0.877 177.408 176.519 0.020 0.000 1.215 182 W CA 1.433 58.780 57.345 0.004 0.000 1.278 182 W CB -0.209 29.243 29.460 -0.014 0.000 1.154 182 W HN 0.058 nan 8.180 nan 0.000 0.486 183 D N -0.218 120.254 120.400 0.120 0.000 2.117 183 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 183 D C 2.193 178.462 176.300 -0.052 0.000 0.987 183 D CA 1.773 55.786 54.000 0.021 0.000 0.829 183 D CB -0.604 40.255 40.800 0.099 0.000 0.961 183 D HN 0.249 nan 8.370 nan 0.000 0.460 184 R N 0.748 121.238 120.500 -0.018 0.000 2.096 184 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 184 R C 1.261 177.537 176.300 -0.040 0.000 1.127 184 R CA 1.459 57.548 56.100 -0.018 0.000 0.968 184 R CB 0.076 30.374 30.300 -0.002 0.000 0.861 184 R HN -0.011 nan 8.270 nan 0.000 0.440 185 D N 0.558 120.896 120.400 -0.103 0.000 2.117 185 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 185 D C 1.928 178.129 176.300 -0.165 0.000 0.982 185 D CA 0.858 54.783 54.000 -0.126 0.000 0.828 185 D CB -0.046 40.647 40.800 -0.178 0.000 0.967 185 D HN 0.208 nan 8.370 nan 0.000 0.464 186 I N 1.196 121.551 120.570 -0.358 0.000 2.142 186 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 186 I C 2.405 178.438 176.117 -0.141 0.000 1.078 186 I CA 1.103 62.206 61.300 -0.328 0.000 1.343 186 I CB -0.941 36.808 38.000 -0.419 0.000 1.046 186 I HN 0.148 nan 8.210 nan 0.000 0.405 187 E N 0.306 120.452 120.200 -0.092 0.000 2.085 187 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 187 E C 2.405 178.986 176.600 -0.032 0.000 0.994 187 E CA 1.488 57.861 56.400 -0.045 0.000 0.801 187 E CB -0.348 29.342 29.700 -0.018 0.000 0.743 187 E HN 0.476 nan 8.360 nan 0.000 0.453 188 Y N 0.555 120.791 120.300 -0.107 0.000 2.128 188 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 188 Y C 2.156 177.999 175.900 -0.095 0.000 1.154 188 Y CA 1.947 59.988 58.100 -0.098 0.000 1.149 188 Y CB -0.155 38.235 38.460 -0.116 0.000 0.976 188 Y HN 0.089 nan 8.280 nan 0.000 0.505 189 M N 0.055 119.548 119.600 -0.179 0.000 2.175 189 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 189 M C 2.479 178.647 176.300 -0.220 0.000 1.063 189 M CA 1.499 56.659 55.300 -0.232 0.000 1.119 189 M CB -1.759 30.799 32.600 -0.069 0.000 1.377 189 M HN 0.489 nan 8.290 nan 0.000 0.415 190 A N 0.257 122.984 122.820 -0.154 0.000 1.883 190 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 190 A C 2.418 179.911 177.584 -0.152 0.000 1.186 190 A CA 2.125 54.093 52.037 -0.114 0.000 0.624 190 A CB -1.501 17.456 19.000 -0.073 0.000 0.822 190 A HN 0.508 nan 8.150 nan 0.000 0.444 191 G N -0.178 108.503 108.800 -0.198 0.000 2.422 191 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 191 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 191 G C 1.373 176.126 174.900 -0.245 0.000 1.146 191 G CA 1.076 46.054 45.100 -0.204 0.000 0.769 191 G HN 0.357 nan 8.290 nan 0.000 0.547 192 I N 0.731 121.081 120.570 -0.367 0.000 2.264 192 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 192 I C 2.801 178.799 176.117 -0.197 0.000 1.111 192 I CA 0.854 61.961 61.300 -0.322 0.000 1.382 192 I CB -0.931 36.824 38.000 -0.409 0.000 1.060 192 I HN 0.160 nan 8.210 nan 0.000 0.418 193 L N 0.035 121.151 121.223 -0.179 0.000 2.056 193 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 193 L C 2.479 179.262 176.870 -0.145 0.000 1.078 193 L CA 1.096 55.844 54.840 -0.154 0.000 0.749 193 L CB -0.473 41.497 42.059 -0.148 0.000 0.901 193 L HN 0.190 nan 8.230 nan 0.000 0.433 194 E N -0.319 119.802 120.200 -0.133 0.000 2.208 194 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 194 E C 0.675 177.216 176.600 -0.098 0.000 0.988 194 E CA 0.141 56.475 56.400 -0.109 0.000 0.828 194 E CB -0.458 29.186 29.700 -0.094 0.000 0.763 194 E HN 0.302 nan 8.360 nan 0.000 0.478 195 N N 2.580 121.215 118.700 -0.107 0.000 2.438 195 N HA -0.031 4.709 4.740 -0.000 0.000 0.267 195 N C -1.722 173.741 175.510 -0.079 0.000 1.222 195 N CA -1.157 51.839 53.050 -0.090 0.000 0.930 195 N CB 1.039 39.465 38.487 -0.103 0.000 1.083 195 N HN -0.110 nan 8.380 nan 0.000 0.476 196 P HA 0.055 nan 4.420 nan 0.000 0.245 196 P C -0.077 177.195 177.300 -0.048 0.000 1.212 196 P CA 0.350 63.416 63.100 -0.056 0.000 0.774 196 P CB 0.456 32.128 31.700 -0.048 0.000 0.999 197 N N 0.029 118.702 118.700 -0.046 0.000 2.422 197 N HA 0.046 4.786 4.740 -0.000 0.000 0.181 197 N C 0.573 176.060 175.510 -0.040 0.000 1.080 197 N CA 0.426 53.454 53.050 -0.037 0.000 0.893 197 N CB 0.218 38.688 38.487 -0.028 0.000 0.973 197 N HN 0.193 nan 8.380 nan 0.000 0.456 198 I N 1.967 122.506 120.570 -0.052 0.000 2.282 198 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 198 I C 0.972 177.054 176.117 -0.057 0.000 1.090 198 I CA 0.294 61.562 61.300 -0.054 0.000 1.231 198 I CB -0.004 37.956 38.000 -0.068 0.000 1.434 198 I HN -0.033 nan 8.210 nan 0.000 0.487 199 T N -0.289 114.236 114.554 -0.049 0.000 3.091 199 T HA 0.132 4.482 4.350 -0.000 0.000 0.277 199 T C 0.693 175.365 174.700 -0.045 0.000 0.996 199 T CA -0.257 61.813 62.100 -0.049 0.000 0.897 199 T CB 0.078 68.921 68.868 -0.042 0.000 1.109 199 T HN 0.495 nan 8.240 nan 0.000 0.534 200 T N -1.008 113.520 114.554 -0.044 0.000 2.952 200 T HA 0.706 5.055 4.350 -0.000 0.000 0.286 200 T C 0.888 175.562 174.700 -0.044 0.000 1.024 200 T CA -0.099 61.974 62.100 -0.044 0.000 1.029 200 T CB 1.106 69.945 68.868 -0.048 0.000 1.094 200 T HN 1.119 nan 8.240 nan 0.000 0.515 201 G N 0.570 109.343 108.800 -0.045 0.000 2.749 201 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.242 201 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.242 201 G C 0.405 175.283 174.900 -0.036 0.000 1.364 201 G CA 0.045 45.122 45.100 -0.039 0.000 0.888 201 G HN 1.280 nan 8.290 nan 0.000 0.566 202 L N -0.579 120.627 121.223 -0.029 0.000 1.990 202 L HA -0.052 4.288 4.340 -0.000 0.000 0.213 202 L C 3.032 179.880 176.870 -0.037 0.000 1.072 202 L CA 3.279 58.094 54.840 -0.042 0.000 0.755 202 L CB -0.619 41.409 42.059 -0.051 0.000 0.889 202 L HN 0.649 nan 8.230 nan 0.000 0.432 203 M N -0.590 118.997 119.600 -0.022 0.000 2.159 203 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 203 M C 2.300 178.563 176.300 -0.061 0.000 1.063 203 M CA 1.465 56.745 55.300 -0.032 0.000 1.110 203 M CB -2.362 30.219 32.600 -0.031 0.000 1.374 203 M HN 0.391 nan 8.290 nan 0.000 0.411 204 G N -0.199 108.567 108.800 -0.058 0.000 2.421 204 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 204 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 204 G C 1.527 176.381 174.900 -0.076 0.000 1.171 204 G CA 1.265 46.325 45.100 -0.068 0.000 0.775 204 G HN 0.469 nan 8.290 nan 0.000 0.543 205 E N 0.603 120.763 120.200 -0.066 0.000 2.077 205 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 205 E C 2.493 179.037 176.600 -0.093 0.000 0.989 205 E CA 0.760 57.118 56.400 -0.071 0.000 0.800 205 E CB -0.535 29.131 29.700 -0.057 0.000 0.746 205 E HN 0.424 nan 8.360 nan 0.000 0.452 206 L N -0.061 121.119 121.223 -0.073 0.000 2.017 206 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 206 L C 2.648 179.359 176.870 -0.264 0.000 1.073 206 L CA 1.429 56.234 54.840 -0.057 0.000 0.745 206 L CB -0.738 41.375 42.059 0.091 0.000 0.894 206 L HN 0.204 nan 8.230 nan 0.000 0.432 207 S N 0.274 115.840 115.700 -0.222 0.000 2.368 207 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 207 S C 1.902 176.343 174.600 -0.266 0.000 1.044 207 S CA 2.021 60.064 58.200 -0.262 0.000 1.062 207 S CB -0.166 62.933 63.200 -0.169 0.000 0.931 207 S HN 0.517 nan 8.310 nan 0.000 0.440 208 R N 0.280 120.666 120.500 -0.189 0.000 2.310 208 R HA 0.250 4.590 4.340 -0.000 0.000 0.202 208 R C 1.747 177.957 176.300 -0.150 0.000 0.933 208 R CA 0.422 56.434 56.100 -0.146 0.000 1.054 208 R CB -0.232 30.012 30.300 -0.094 0.000 0.985 208 R HN 0.371 nan 8.270 nan 0.000 0.489 209 L N 0.131 121.215 121.223 -0.231 0.000 2.221 209 L HA 0.174 4.514 4.340 -0.000 0.000 0.202 209 L C 2.707 179.406 176.870 -0.286 0.000 1.074 209 L CA 0.452 55.113 54.840 -0.299 0.000 0.795 209 L CB -0.297 41.471 42.059 -0.485 0.000 0.960 209 L HN 0.152 nan 8.230 nan 0.000 0.458 210 R N 0.529 120.709 120.500 -0.535 0.000 2.170 210 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 210 R C 1.850 178.011 176.300 -0.232 0.000 1.145 210 R CA 1.136 56.858 56.100 -0.631 0.000 0.984 210 R CB 0.156 29.728 30.300 -1.213 0.000 0.869 210 R HN 0.141 nan 8.270 nan 0.000 0.455 211 K N 0.555 120.848 120.400 -0.178 0.000 2.366 211 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 211 K C 0.310 176.909 176.600 -0.002 0.000 1.044 211 K CA 0.250 56.488 56.287 -0.081 0.000 0.973 211 K CB -0.277 32.173 32.500 -0.083 0.000 0.767 211 K HN 0.251 nan 8.250 nan 0.000 0.475 212 D N 1.950 122.385 120.400 0.058 0.000 2.382 212 D HA 0.005 4.645 4.640 -0.000 0.000 0.245 212 D C -1.536 174.861 176.300 0.162 0.000 1.120 212 D CA -1.578 52.510 54.000 0.146 0.000 0.890 212 D CB 1.703 42.678 40.800 0.292 0.000 1.201 212 D HN -0.094 nan 8.370 nan 0.000 0.433 213 P HA -0.094 nan 4.420 nan 0.000 0.218 213 P C 1.001 178.337 177.300 0.059 0.000 1.149 213 P CA 0.791 63.932 63.100 0.068 0.000 0.817 213 P CB 0.072 31.796 31.700 0.040 0.000 0.785 214 A N -1.005 121.828 122.820 0.022 0.000 2.076 214 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 214 A C 1.408 178.841 177.584 -0.253 0.000 1.160 214 A CA 1.119 53.070 52.037 -0.143 0.000 0.653 214 A CB -1.586 17.253 19.000 -0.269 0.000 0.801 214 A HN 0.224 nan 8.150 nan 0.000 0.455 215 Y N 0.140 120.504 120.300 0.106 0.000 2.625 215 Y HA 0.094 4.644 4.550 -0.000 0.000 0.285 215 Y C 2.244 178.237 175.900 0.155 0.000 1.168 215 Y CA 0.249 58.442 58.100 0.156 0.000 1.250 215 Y CB 0.074 38.660 38.460 0.210 0.000 1.130 215 Y HN 0.424 nan 8.280 nan 0.000 0.526 216 S N -1.348 114.463 115.700 0.185 0.000 2.447 216 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 216 S C 1.189 175.777 174.600 -0.020 0.000 1.006 216 S CA 1.217 59.458 58.200 0.069 0.000 0.957 216 S CB -0.373 62.823 63.200 -0.006 0.000 0.773 216 S HN 0.542 nan 8.310 nan 0.000 0.507 217 H N 0.255 119.380 119.070 0.092 0.000 2.529 217 H HA 0.377 4.933 4.556 -0.000 0.000 0.277 217 H C -0.358 175.032 175.328 0.103 0.000 1.004 217 H CA -0.070 56.025 56.048 0.078 0.000 1.167 217 H CB 0.449 30.235 29.762 0.040 0.000 1.445 217 H HN 0.267 nan 8.280 nan 0.000 0.554 218 V N 3.280 123.351 119.914 0.263 0.000 2.408 218 V HA 0.008 4.128 4.120 -0.000 0.000 0.267 218 V C 0.738 176.990 176.094 0.264 0.000 1.047 218 V CA -0.544 61.888 62.300 0.220 0.000 0.937 218 V CB 1.012 32.995 31.823 0.267 0.000 0.999 218 V HN 0.359 nan 8.190 nan 0.000 0.472 219 S N 2.814 118.603 115.700 0.148 0.000 2.562 219 S HA 0.049 4.519 4.470 -0.000 0.000 0.281 219 S C 0.859 175.624 174.600 0.275 0.000 1.333 219 S CA -0.489 57.809 58.200 0.163 0.000 1.052 219 S CB 0.753 64.011 63.200 0.097 0.000 0.884 219 S HN 0.687 nan 8.310 nan 0.000 0.506 220 D N 1.529 122.094 120.400 0.274 0.000 2.190 220 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 220 D C 1.687 178.122 176.300 0.226 0.000 0.992 220 D CA 1.625 55.796 54.000 0.285 0.000 0.854 220 D CB -0.258 40.609 40.800 0.113 0.000 0.936 220 D HN 0.899 nan 8.370 nan 0.000 0.462 221 E N -0.122 120.163 120.200 0.142 0.000 2.058 221 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 221 E C 2.111 178.768 176.600 0.096 0.000 0.997 221 E CA 0.562 57.026 56.400 0.105 0.000 0.801 221 E CB -0.091 29.667 29.700 0.096 0.000 0.746 221 E HN 0.120 nan 8.360 nan 0.000 0.450 222 L N 0.329 121.578 121.223 0.043 0.000 2.017 222 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 222 L C 2.001 178.813 176.870 -0.097 0.000 1.073 222 L CA 1.689 56.488 54.840 -0.067 0.000 0.745 222 L CB -0.759 41.171 42.059 -0.215 0.000 0.894 222 L HN 0.137 nan 8.230 nan 0.000 0.432 223 F N -0.091 119.872 119.950 0.022 0.000 2.102 223 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 223 F C 2.557 178.349 175.800 -0.014 0.000 1.105 223 F CA 1.528 59.521 58.000 -0.012 0.000 1.239 223 F CB -1.232 37.744 39.000 -0.039 0.000 0.991 223 F HN 0.194 nan 8.300 nan 0.000 0.474 224 A N -0.243 122.677 122.820 0.167 0.000 1.883 224 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 224 A C 2.213 179.812 177.584 0.025 0.000 1.186 224 A CA 2.441 54.508 52.037 0.049 0.000 0.624 224 A CB -1.425 17.573 19.000 -0.003 0.000 0.822 224 A HN 0.366 nan 8.150 nan 0.000 0.444 225 T N 0.269 114.858 114.554 0.058 0.000 2.759 225 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 225 T C 1.745 176.559 174.700 0.190 0.000 1.042 225 T CA 1.581 63.755 62.100 0.124 0.000 1.140 225 T CB -0.452 68.548 68.868 0.220 0.000 0.864 225 T HN 0.443 nan 8.240 nan 0.000 0.455 226 I N 0.959 121.622 120.570 0.155 0.000 2.226 226 I HA -0.104 4.066 4.170 -0.000 0.000 0.245 226 I C 2.866 179.132 176.117 0.249 0.000 1.100 226 I CA 1.314 62.733 61.300 0.198 0.000 1.374 226 I CB -0.617 37.395 38.000 0.022 0.000 1.057 226 I HN 0.303 nan 8.210 nan 0.000 0.413 227 G N 0.208 109.103 108.800 0.159 0.000 2.408 227 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 227 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 227 G C 1.689 176.737 174.900 0.246 0.000 1.150 227 G CA 0.801 46.011 45.100 0.184 0.000 0.776 227 G HN 0.247 nan 8.290 nan 0.000 0.542 228 V N 1.688 121.688 119.914 0.144 0.000 2.453 228 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 228 V C 3.315 179.590 176.094 0.301 0.000 1.048 228 V CA 2.376 64.742 62.300 0.110 0.000 1.049 228 V CB -0.770 30.884 31.823 -0.281 0.000 0.672 228 V HN 0.650 nan 8.190 nan 0.000 0.457 229 T N -2.143 112.626 114.554 0.359 0.000 2.812 229 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 229 T C 1.820 176.696 174.700 0.293 0.000 1.042 229 T CA 1.288 63.615 62.100 0.378 0.000 1.140 229 T CB -0.528 68.560 68.868 0.367 0.000 0.870 229 T HN 0.283 nan 8.240 nan 0.000 0.445 230 F N 0.583 120.664 119.950 0.218 0.000 2.163 230 F HA 0.213 4.740 4.527 -0.000 0.000 0.297 230 F C 2.050 177.954 175.800 0.174 0.000 1.094 230 F CA 0.086 58.199 58.000 0.188 0.000 1.290 230 F CB -0.747 38.363 39.000 0.184 0.000 1.017 230 F HN 0.118 nan 8.300 nan 0.000 0.483 231 F N 0.753 120.876 119.950 0.288 0.000 2.065 231 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 231 F C 2.413 178.231 175.800 0.030 0.000 1.112 231 F CA 2.002 60.098 58.000 0.160 0.000 1.212 231 F CB -1.001 38.101 39.000 0.170 0.000 0.975 231 F HN -0.043 nan 8.300 nan 0.000 0.476 232 G N -0.499 108.445 108.800 0.241 0.000 2.433 232 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 232 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 232 G C 1.815 176.668 174.900 -0.077 0.000 1.186 232 G CA 1.040 46.268 45.100 0.215 0.000 0.779 232 G HN 0.657 nan 8.290 nan 0.000 0.543 233 A N 0.790 123.625 122.820 0.025 0.000 1.883 233 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 233 A C 2.710 180.108 177.584 -0.311 0.000 1.186 233 A CA 2.332 54.288 52.037 -0.134 0.000 0.624 233 A CB -1.139 17.808 19.000 -0.088 0.000 0.822 233 A HN 0.584 nan 8.150 nan 0.000 0.444 234 G N -1.034 107.557 108.800 -0.349 0.000 2.394 234 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 234 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 234 G C 1.498 175.912 174.900 -0.810 0.000 1.165 234 G CA 1.108 45.936 45.100 -0.454 0.000 0.784 234 G HN 0.312 nan 8.290 nan 0.000 0.535 235 V N 0.766 120.054 119.914 -1.044 0.000 2.307 235 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 235 V C 2.585 178.447 176.094 -0.386 0.000 1.045 235 V CA 1.428 63.288 62.300 -0.734 0.000 1.024 235 V CB -0.327 31.010 31.823 -0.811 0.000 0.651 235 V HN 0.328 nan 8.190 nan 0.000 0.449 236 I N 0.040 120.342 120.570 -0.446 0.000 2.286 236 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 236 I C 2.464 178.387 176.117 -0.322 0.000 1.115 236 I CA 1.646 62.693 61.300 -0.422 0.000 1.392 236 I CB -0.227 37.214 38.000 -0.932 0.000 1.065 236 I HN 0.224 nan 8.210 nan 0.000 0.418 237 S N -0.498 115.006 115.700 -0.328 0.000 2.357 237 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 237 S C 1.985 176.572 174.600 -0.021 0.000 1.031 237 S CA 1.778 59.886 58.200 -0.154 0.000 0.982 237 S CB -0.781 62.371 63.200 -0.081 0.000 0.853 237 S HN 0.708 nan 8.310 nan 0.000 0.458 238 T N 0.316 114.814 114.554 -0.093 0.000 2.812 238 T HA 0.043 4.393 4.350 -0.000 0.000 0.264 238 T C 2.055 176.725 174.700 -0.049 0.000 1.042 238 T CA 1.216 63.249 62.100 -0.111 0.000 1.140 238 T CB -1.051 67.501 68.868 -0.527 0.000 0.870 238 T HN 0.360 nan 8.240 nan 0.000 0.445 239 G N 1.270 110.019 108.800 -0.085 0.000 2.418 239 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 239 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 239 G C 1.879 176.812 174.900 0.056 0.000 1.158 239 G CA 1.045 46.155 45.100 0.016 0.000 0.771 239 G HN 0.566 nan 8.290 nan 0.000 0.545 240 S N 0.193 115.926 115.700 0.054 0.000 2.387 240 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 240 S C 1.868 176.545 174.600 0.129 0.000 1.026 240 S CA 0.846 59.099 58.200 0.089 0.000 0.972 240 S CB -0.314 62.928 63.200 0.070 0.000 0.814 240 S HN 0.407 nan 8.310 nan 0.000 0.477 241 F N 2.612 122.589 119.950 0.044 0.000 2.146 241 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 241 F C 1.830 177.684 175.800 0.091 0.000 1.096 241 F CA 0.753 58.791 58.000 0.063 0.000 1.275 241 F CB -0.576 38.453 39.000 0.048 0.000 1.008 241 F HN 0.149 nan 8.300 nan 0.000 0.480 242 L N 0.309 121.449 121.223 -0.138 0.000 2.046 242 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 242 L C 2.227 178.997 176.870 -0.166 0.000 1.077 242 L CA 2.475 57.183 54.840 -0.220 0.000 0.747 242 L CB -1.416 40.678 42.059 0.057 0.000 0.896 242 L HN 0.204 nan 8.230 nan 0.000 0.432 243 T N -0.774 113.748 114.554 -0.053 0.000 2.652 243 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 243 T C 1.742 176.432 174.700 -0.016 0.000 1.039 243 T CA 2.328 64.426 62.100 -0.004 0.000 1.153 243 T CB -0.690 68.198 68.868 0.034 0.000 0.863 243 T HN 0.698 nan 8.240 nan 0.000 0.428 244 T N 0.677 115.221 114.554 -0.017 0.000 2.904 244 T HA 0.182 4.531 4.350 -0.000 0.000 0.267 244 T C 2.250 176.907 174.700 -0.071 0.000 1.059 244 T CA 0.942 63.061 62.100 0.033 0.000 1.137 244 T CB -0.497 68.452 68.868 0.134 0.000 0.879 244 T HN 0.329 nan 8.240 nan 0.000 0.467 245 A N 1.941 124.574 122.820 -0.311 0.000 1.908 245 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 245 A C 2.391 179.891 177.584 -0.140 0.000 1.181 245 A CA 1.391 53.226 52.037 -0.337 0.000 0.627 245 A CB -0.958 17.597 19.000 -0.741 0.000 0.818 245 A HN 0.541 nan 8.150 nan 0.000 0.445 246 L N -0.575 120.586 121.223 -0.103 0.000 2.046 246 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 246 L C 2.469 179.340 176.870 0.002 0.000 1.077 246 L CA 1.226 56.050 54.840 -0.027 0.000 0.747 246 L CB -0.560 41.504 42.059 0.009 0.000 0.896 246 L HN 0.379 nan 8.230 nan 0.000 0.432 247 I N -0.666 119.916 120.570 0.020 0.000 2.163 247 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 247 I C 2.630 178.779 176.117 0.053 0.000 1.085 247 I CA 1.397 62.732 61.300 0.058 0.000 1.347 247 I CB -0.348 37.724 38.000 0.120 0.000 1.044 247 I HN 0.190 nan 8.210 nan 0.000 0.408 248 S N 0.807 116.532 115.700 0.041 0.000 2.370 248 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 248 S C 2.014 176.634 174.600 0.033 0.000 1.033 248 S CA 1.248 59.474 58.200 0.044 0.000 1.011 248 S CB -0.366 62.860 63.200 0.043 0.000 0.852 248 S HN 0.344 nan 8.310 nan 0.000 0.457 249 L N 0.798 122.032 121.223 0.017 0.000 2.027 249 L HA -0.062 4.277 4.340 -0.000 0.000 0.206 249 L C 2.222 179.103 176.870 0.019 0.000 1.074 249 L CA 1.244 56.093 54.840 0.016 0.000 0.745 249 L CB -0.430 41.632 42.059 0.005 0.000 0.898 249 L HN 0.312 nan 8.230 nan 0.000 0.433 250 I N -0.512 120.069 120.570 0.019 0.000 2.208 250 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 250 I C 2.331 178.465 176.117 0.028 0.000 1.097 250 I CA 1.387 62.700 61.300 0.022 0.000 1.363 250 I CB -0.222 37.793 38.000 0.025 0.000 1.051 250 I HN 0.376 nan 8.210 nan 0.000 0.413 251 Q N 0.340 120.162 119.800 0.036 0.000 2.488 251 Q HA -0.016 4.324 4.340 -0.000 0.000 0.211 251 Q C 0.349 176.370 176.000 0.035 0.000 0.967 251 Q CA 0.618 56.445 55.803 0.040 0.000 0.926 251 Q CB 0.188 28.957 28.738 0.051 0.000 0.992 251 Q HN 0.426 nan 8.270 nan 0.000 0.506 252 R N 0.187 120.705 120.500 0.031 0.000 2.629 252 R HA 0.158 4.498 4.340 -0.000 0.000 0.277 252 R C -2.118 174.198 176.300 0.025 0.000 1.637 252 R CA -1.360 54.757 56.100 0.029 0.000 1.663 252 R CB 0.920 31.239 30.300 0.032 0.000 1.228 252 R HN -0.004 nan 8.270 nan 0.000 0.632 253 P HA -0.208 nan 4.420 nan 0.000 0.218 253 P C 0.876 178.191 177.300 0.024 0.000 1.148 253 P CA 1.128 64.240 63.100 0.020 0.000 0.822 253 P CB 0.401 32.111 31.700 0.016 0.000 0.784 254 Q N -0.606 119.209 119.800 0.025 0.000 2.096 254 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 254 Q C 2.210 178.228 176.000 0.031 0.000 0.982 254 Q CA 1.115 56.934 55.803 0.027 0.000 0.850 254 Q CB -1.148 27.605 28.738 0.024 0.000 0.901 254 Q HN 0.257 nan 8.270 nan 0.000 0.422 255 L N 1.123 122.364 121.223 0.030 0.000 2.056 255 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 255 L C 2.540 179.433 176.870 0.039 0.000 1.078 255 L CA 1.674 56.533 54.840 0.032 0.000 0.749 255 L CB -0.516 41.561 42.059 0.029 0.000 0.901 255 L HN 0.080 nan 8.230 nan 0.000 0.433 256 R N -0.518 120.003 120.500 0.035 0.000 2.083 256 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 256 R C 1.932 178.270 176.300 0.064 0.000 1.137 256 R CA 1.874 57.996 56.100 0.036 0.000 0.951 256 R CB -0.292 30.018 30.300 0.017 0.000 0.851 256 R HN 0.482 nan 8.270 nan 0.000 0.434 257 N N 1.008 119.745 118.700 0.061 0.000 2.142 257 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 257 N C 1.739 177.311 175.510 0.104 0.000 1.023 257 N CA 0.874 53.982 53.050 0.096 0.000 0.852 257 N CB -0.460 38.068 38.487 0.068 0.000 0.998 257 N HN 0.162 nan 8.380 nan 0.000 0.424 258 L N 1.561 122.823 121.223 0.065 0.000 1.970 258 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 258 L C 2.022 178.919 176.870 0.045 0.000 1.071 258 L CA 1.474 56.342 54.840 0.046 0.000 0.751 258 L CB -0.829 41.251 42.059 0.035 0.000 0.889 258 L HN 0.105 nan 8.230 nan 0.000 0.432 259 L N -1.082 120.174 121.223 0.056 0.000 2.131 259 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 259 L C 2.664 179.577 176.870 0.071 0.000 1.092 259 L CA 1.566 56.438 54.840 0.054 0.000 0.759 259 L CB -1.080 41.012 42.059 0.055 0.000 0.903 259 L HN 0.563 nan 8.230 nan 0.000 0.435 260 H N 0.842 119.913 119.070 0.002 0.000 2.326 260 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 260 H C 1.975 177.303 175.328 0.000 0.000 1.081 260 H CA 1.938 57.985 56.048 -0.003 0.000 1.334 260 H CB 0.338 30.098 29.762 -0.004 0.000 1.385 260 H HN 0.404 nan 8.280 nan 0.000 0.504 261 E N 0.518 120.636 120.200 -0.137 0.000 2.072 261 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 261 E C 0.528 177.052 176.600 -0.127 0.000 0.985 261 E CA 0.893 57.186 56.400 -0.179 0.000 0.801 261 E CB 0.232 29.904 29.700 -0.047 0.000 0.750 261 E HN 0.300 nan 8.360 nan 0.000 0.452 262 K N 0.813 121.177 120.400 -0.061 0.000 2.682 262 K HA 0.153 4.473 4.320 -0.000 0.000 0.189 262 K C -2.216 174.373 176.600 -0.019 0.000 1.062 262 K CA -1.288 54.978 56.287 -0.035 0.000 0.997 262 K CB 1.512 34.004 32.500 -0.013 0.000 1.405 262 K HN -0.037 nan 8.250 nan 0.000 0.588 263 P HA -0.248 nan 4.420 nan 0.000 0.221 263 P C 0.966 178.271 177.300 0.009 0.000 1.145 263 P CA 1.182 64.279 63.100 -0.005 0.000 0.795 263 P CB 0.274 31.966 31.700 -0.014 0.000 0.775 264 E N 0.692 120.895 120.200 0.005 0.000 2.333 264 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 264 E C 1.594 178.208 176.600 0.023 0.000 1.007 264 E CA 0.884 57.292 56.400 0.014 0.000 0.845 264 E CB -1.058 28.648 29.700 0.009 0.000 0.766 264 E HN 0.343 nan 8.360 nan 0.000 0.507 265 L N 0.494 121.730 121.223 0.023 0.000 2.592 265 L HA 0.175 4.515 4.340 -0.000 0.000 0.227 265 L C 2.284 179.179 176.870 0.041 0.000 1.127 265 L CA -0.161 54.697 54.840 0.030 0.000 0.884 265 L CB -0.179 41.896 42.059 0.026 0.000 1.065 265 L HN 0.002 nan 8.230 nan 0.000 0.457 266 I N 0.740 121.336 120.570 0.043 0.000 2.163 266 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 266 I C -0.251 175.910 176.117 0.072 0.000 1.085 266 I CA 1.512 62.845 61.300 0.055 0.000 1.347 266 I CB -1.140 36.891 38.000 0.052 0.000 1.044 266 I HN 0.219 nan 8.210 nan 0.000 0.408 267 P HA -0.225 nan 4.420 nan 0.000 0.215 267 P C 1.491 178.846 177.300 0.092 0.000 1.157 267 P CA 2.064 65.216 63.100 0.087 0.000 0.874 267 P CB -0.057 31.688 31.700 0.075 0.000 0.790 268 A N -0.487 122.377 122.820 0.074 0.000 1.933 268 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 268 A C 2.468 180.093 177.584 0.068 0.000 1.175 268 A CA 2.040 54.119 52.037 0.071 0.000 0.628 268 A CB -1.826 17.207 19.000 0.054 0.000 0.814 268 A HN 0.290 nan 8.150 nan 0.000 0.444 269 G N -0.581 108.257 108.800 0.064 0.000 2.404 269 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 269 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 269 G C 1.481 176.429 174.900 0.080 0.000 1.174 269 G CA 1.153 46.288 45.100 0.059 0.000 0.780 269 G HN 0.307 nan 8.290 nan 0.000 0.537 270 V N 0.651 120.632 119.914 0.112 0.000 2.490 270 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 270 V C 2.700 178.890 176.094 0.160 0.000 1.061 270 V CA 2.140 64.545 62.300 0.175 0.000 1.064 270 V CB -0.225 31.724 31.823 0.210 0.000 0.670 270 V HN 0.333 nan 8.190 nan 0.000 0.461 271 E N 0.034 120.309 120.200 0.124 0.000 2.106 271 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 271 E C 2.281 178.877 176.600 -0.007 0.000 0.984 271 E CA 0.965 57.435 56.400 0.117 0.000 0.806 271 E CB -0.140 29.660 29.700 0.166 0.000 0.750 271 E HN 0.498 nan 8.360 nan 0.000 0.458 272 E N -0.079 120.117 120.200 -0.008 0.000 2.107 272 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 272 E C 2.203 178.747 176.600 -0.094 0.000 0.982 272 E CA 0.476 56.824 56.400 -0.087 0.000 0.809 272 E CB -0.140 29.529 29.700 -0.052 0.000 0.756 272 E HN 0.344 nan 8.360 nan 0.000 0.459 273 L N 0.417 121.650 121.223 0.015 0.000 2.131 273 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 273 L C 2.542 179.514 176.870 0.170 0.000 1.092 273 L CA 0.700 55.604 54.840 0.107 0.000 0.759 273 L CB -0.387 41.777 42.059 0.174 0.000 0.903 273 L HN 0.119 nan 8.230 nan 0.000 0.435 274 L N -0.542 120.668 121.223 -0.021 0.000 2.027 274 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 274 L C 2.864 179.376 176.870 -0.596 0.000 1.074 274 L CA 1.169 55.737 54.840 -0.454 0.000 0.745 274 L CB -0.440 41.182 42.059 -0.728 0.000 0.898 274 L HN 0.221 nan 8.230 nan 0.000 0.433 275 R N 1.060 121.145 120.500 -0.692 0.000 2.105 275 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 275 R C 2.050 178.067 176.300 -0.472 0.000 1.135 275 R CA 1.926 57.652 56.100 -0.622 0.000 0.967 275 R CB -0.338 29.588 30.300 -0.624 0.000 0.861 275 R HN 0.558 nan 8.270 nan 0.000 0.442 276 I N -0.529 119.839 120.570 -0.337 0.000 3.812 276 I HA 0.126 4.296 4.170 -0.000 0.000 0.320 276 I C -0.206 176.006 176.117 0.158 0.000 1.276 276 I CA -0.573 60.599 61.300 -0.213 0.000 1.164 276 I CB -0.440 37.510 38.000 -0.083 0.000 1.009 276 I HN 0.025 nan 8.210 nan 0.000 0.431 277 N N 1.714 120.469 118.700 0.091 0.000 2.520 277 N HA 0.196 4.936 4.740 -0.000 0.000 0.273 277 N C -0.056 175.569 175.510 0.191 0.000 1.155 277 N CA -0.298 52.867 53.050 0.192 0.000 0.967 277 N CB 0.993 39.663 38.487 0.305 0.000 1.092 277 N HN 0.339 nan 8.380 nan 0.000 0.457 278 L N 2.002 123.333 121.223 0.181 0.000 3.017 278 L HA 0.183 4.523 4.340 -0.000 0.000 0.255 278 L C 1.622 178.583 176.870 0.152 0.000 1.247 278 L CA -0.275 54.648 54.840 0.138 0.000 1.038 278 L CB -0.277 41.812 42.059 0.051 0.000 1.380 278 L HN 0.818 nan 8.230 nan 0.000 0.548 279 S N -0.387 115.444 115.700 0.220 0.000 2.402 279 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 279 S C 0.662 175.363 174.600 0.169 0.000 1.021 279 S CA 0.462 58.791 58.200 0.214 0.000 0.974 279 S CB -0.332 63.025 63.200 0.262 0.000 0.800 279 S HN 0.181 nan 8.310 nan 0.000 0.484 280 F N 2.150 122.115 119.950 0.025 0.000 2.471 280 F HA 0.588 5.115 4.527 -0.000 0.000 0.365 280 F C 1.423 177.227 175.800 0.007 0.000 1.095 280 F CA -0.640 57.360 58.000 0.000 0.000 1.174 280 F CB 0.756 39.742 39.000 -0.022 0.000 1.105 280 F HN 0.211 nan 8.300 nan 0.000 0.535 281 A N 2.434 125.288 122.820 0.056 0.000 2.067 281 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 281 A C 0.391 177.995 177.584 0.032 0.000 1.156 281 A CA 0.797 52.859 52.037 0.042 0.000 0.683 281 A CB -0.272 18.742 19.000 0.023 0.000 0.808 281 A HN 0.606 nan 8.150 nan 0.000 0.455 282 D N -1.471 118.963 120.400 0.056 0.000 2.601 282 D HA 0.440 5.080 4.640 -0.000 0.000 0.230 282 D C 0.134 176.481 176.300 0.079 0.000 1.106 282 D CA -0.112 53.904 54.000 0.026 0.000 0.873 282 D CB 1.389 42.186 40.800 -0.005 0.000 1.515 282 D HN 0.148 nan 8.370 nan 0.000 0.468 283 G N 0.346 109.161 108.800 0.025 0.000 2.559 283 G HA2 0.272 4.232 3.960 -0.000 0.000 0.235 283 G HA3 0.272 4.232 3.960 -0.000 0.000 0.235 283 G C 0.347 175.268 174.900 0.036 0.000 1.266 283 G CA -0.336 44.779 45.100 0.025 0.000 0.847 283 G HN 0.365 nan 8.290 nan 0.000 0.583 284 L N 3.023 124.254 121.223 0.013 0.000 2.410 284 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 284 L C -1.672 175.191 176.870 -0.013 0.000 1.152 284 L CA -1.497 53.349 54.840 0.010 0.000 0.855 284 L CB 0.985 43.023 42.059 -0.035 0.000 1.129 284 L HN 0.357 nan 8.230 nan 0.000 0.463 285 P HA 0.396 nan 4.420 nan 0.000 0.290 285 P C -1.098 176.193 177.300 -0.014 0.000 1.276 285 P CA -0.658 62.432 63.100 -0.016 0.000 0.808 285 P CB 1.681 33.367 31.700 -0.022 0.000 0.966 286 R N 2.001 122.508 120.500 0.013 0.000 2.725 286 R HA 0.565 4.905 4.340 -0.000 0.000 0.277 286 R C -1.021 175.352 176.300 0.121 0.000 0.987 286 R CA -1.153 54.986 56.100 0.066 0.000 0.901 286 R CB 1.768 32.122 30.300 0.090 0.000 1.207 286 R HN 0.440 nan 8.270 nan 0.000 0.463 287 L N 1.407 122.714 121.223 0.140 0.000 2.305 287 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 287 L C -0.287 176.692 176.870 0.182 0.000 1.013 287 L CA -0.313 54.613 54.840 0.144 0.000 0.819 287 L CB 1.663 43.767 42.059 0.074 0.000 1.227 287 L HN 0.826 nan 8.230 nan 0.000 0.417 288 A N 2.514 125.463 122.820 0.214 0.000 2.451 288 A HA 0.379 4.699 4.320 -0.000 0.000 0.266 288 A C 1.053 178.628 177.584 -0.015 0.000 1.119 288 A CA 0.391 52.475 52.037 0.079 0.000 0.786 288 A CB -0.173 18.901 19.000 0.124 0.000 1.061 288 A HN 0.881 nan 8.150 nan 0.000 0.503 289 T N -0.597 113.900 114.554 -0.095 0.000 3.107 289 T HA 0.539 4.889 4.350 -0.000 0.000 0.249 289 T C 0.420 175.067 174.700 -0.089 0.000 1.096 289 T CA 0.572 62.632 62.100 -0.068 0.000 1.012 289 T CB -0.300 68.535 68.868 -0.055 0.000 0.977 289 T HN 1.633 nan 8.240 nan 0.000 0.527 290 A N 0.559 123.298 122.820 -0.135 0.000 2.610 290 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 290 A C -1.808 175.707 177.584 -0.115 0.000 1.086 290 A CA -1.007 50.960 52.037 -0.116 0.000 0.677 290 A CB 0.761 19.680 19.000 -0.136 0.000 1.278 290 A HN 0.177 nan 8.150 nan 0.000 0.414 291 D N 0.841 121.197 120.400 -0.072 0.000 2.383 291 D HA 0.516 5.156 4.640 -0.000 0.000 0.252 291 D C -0.494 175.756 176.300 -0.083 0.000 1.166 291 D CA 1.082 55.050 54.000 -0.054 0.000 0.879 291 D CB 0.372 41.154 40.800 -0.029 0.000 1.164 291 D HN 0.405 nan 8.370 nan 0.000 0.462 292 I N 1.695 122.219 120.570 -0.078 0.000 2.571 292 I HA 0.092 4.262 4.170 -0.000 0.000 0.289 292 I C -0.286 175.821 176.117 -0.016 0.000 1.115 292 I CA -1.066 60.188 61.300 -0.076 0.000 1.045 292 I CB 2.136 40.017 38.000 -0.198 0.000 1.238 292 I HN 0.020 nan 8.210 nan 0.000 0.424 293 Q N 4.691 124.479 119.800 -0.020 0.000 2.296 293 Q HA 0.433 4.773 4.340 -0.000 0.000 0.262 293 Q C -1.314 174.683 176.000 -0.005 0.000 0.981 293 Q CA 0.156 55.940 55.803 -0.032 0.000 0.905 293 Q CB 1.139 29.858 28.738 -0.031 0.000 1.186 293 Q HN 0.483 nan 8.270 nan 0.000 0.399 294 V N 5.333 125.214 119.914 -0.056 0.000 2.462 294 V HA 0.632 4.752 4.120 -0.000 0.000 0.288 294 V C 0.723 176.754 176.094 -0.104 0.000 1.020 294 V CA 0.010 62.273 62.300 -0.061 0.000 0.857 294 V CB 0.671 32.441 31.823 -0.087 0.000 1.013 294 V HN 1.058 nan 8.190 nan 0.000 0.431 295 G N 5.001 113.763 108.800 -0.064 0.000 2.614 295 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.303 295 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.303 295 G C 0.402 175.261 174.900 -0.068 0.000 1.270 295 G CA 0.805 45.871 45.100 -0.056 0.000 0.988 295 G HN 0.654 nan 8.290 nan 0.000 0.551 296 D N 0.192 120.551 120.400 -0.069 0.000 2.349 296 D HA 0.277 4.917 4.640 -0.000 0.000 0.224 296 D C 0.852 177.089 176.300 -0.106 0.000 1.029 296 D CA 0.590 54.552 54.000 -0.063 0.000 0.879 296 D CB 0.267 41.047 40.800 -0.034 0.000 0.906 296 D HN 0.321 nan 8.370 nan 0.000 0.528 297 V N 1.442 121.241 119.914 -0.192 0.000 2.513 297 V HA 0.232 4.352 4.120 -0.000 0.000 0.299 297 V C -0.252 175.667 176.094 -0.292 0.000 1.035 297 V CA -1.089 61.014 62.300 -0.329 0.000 0.889 297 V CB 2.322 33.715 31.823 -0.716 0.000 0.988 297 V HN -0.089 nan 8.190 nan 0.000 0.440 298 L N 6.770 127.860 121.223 -0.220 0.000 2.261 298 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 298 L C -0.174 176.588 176.870 -0.179 0.000 1.059 298 L CA 0.373 55.128 54.840 -0.142 0.000 0.816 298 L CB 1.095 43.118 42.059 -0.059 0.000 1.191 298 L HN 0.450 nan 8.230 nan 0.000 0.431 299 V N 6.201 126.008 119.914 -0.178 0.000 2.530 299 V HA 0.446 4.566 4.120 -0.000 0.000 0.282 299 V C 0.619 176.745 176.094 0.054 0.000 1.048 299 V CA -0.701 61.544 62.300 -0.092 0.000 0.997 299 V CB 0.750 32.566 31.823 -0.012 0.000 0.987 299 V HN 0.657 nan 8.190 nan 0.000 0.477 300 R N 2.942 123.530 120.500 0.148 0.000 2.532 300 R HA 0.339 4.679 4.340 -0.000 0.000 0.272 300 R C 0.082 176.438 176.300 0.094 0.000 1.032 300 R CA -0.926 55.236 56.100 0.104 0.000 1.089 300 R CB 0.664 31.035 30.300 0.120 0.000 1.098 300 R HN 0.673 nan 8.270 nan 0.000 0.526 301 K N 0.353 120.779 120.400 0.044 0.000 2.447 301 K HA 0.059 4.379 4.320 -0.000 0.000 0.281 301 K C 0.581 177.210 176.600 0.048 0.000 1.031 301 K CA 1.300 57.603 56.287 0.026 0.000 1.019 301 K CB 0.016 32.517 32.500 0.002 0.000 0.918 301 K HN 0.772 nan 8.250 nan 0.000 0.476 302 G N 2.765 111.599 108.800 0.056 0.000 2.175 302 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 302 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 302 G C -0.337 174.611 174.900 0.080 0.000 0.982 302 G CA 0.055 45.188 45.100 0.056 0.000 0.641 302 G HN 0.672 nan 8.290 nan 0.000 0.527 303 E N -0.346 119.933 120.200 0.132 0.000 2.349 303 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 303 E C -0.103 176.606 176.600 0.181 0.000 1.064 303 E CA -0.860 55.641 56.400 0.169 0.000 0.886 303 E CB 1.644 31.526 29.700 0.303 0.000 1.036 303 E HN 0.188 nan 8.360 nan 0.000 0.413 304 L N 2.973 124.267 121.223 0.118 0.000 2.305 304 L HA 0.245 4.585 4.340 -0.000 0.000 0.281 304 L C -1.084 175.877 176.870 0.151 0.000 1.085 304 L CA -0.206 54.690 54.840 0.094 0.000 0.813 304 L CB 1.167 43.234 42.059 0.012 0.000 1.157 304 L HN 0.225 nan 8.230 nan 0.000 0.436 305 V N 6.308 126.302 119.914 0.133 0.000 2.604 305 V HA 0.505 4.625 4.120 -0.000 0.000 0.305 305 V C -0.343 175.760 176.094 0.015 0.000 1.043 305 V CA -0.668 61.692 62.300 0.101 0.000 0.888 305 V CB 1.859 33.666 31.823 -0.026 0.000 0.995 305 V HN 0.589 nan 8.190 nan 0.000 0.429 306 L N 4.415 125.644 121.223 0.010 0.000 2.343 306 L HA 0.574 4.914 4.340 -0.000 0.000 0.278 306 L C -0.760 176.095 176.870 -0.025 0.000 0.996 306 L CA -0.755 54.078 54.840 -0.013 0.000 0.831 306 L CB 2.066 44.117 42.059 -0.014 0.000 1.232 306 L HN 0.354 nan 8.230 nan 0.000 0.413 307 V N 4.637 124.524 119.914 -0.045 0.000 2.334 307 V HA 0.190 4.310 4.120 -0.000 0.000 0.267 307 V C 0.046 176.124 176.094 -0.028 0.000 1.040 307 V CA -0.377 61.889 62.300 -0.057 0.000 0.866 307 V CB 1.532 33.299 31.823 -0.093 0.000 1.019 307 V HN 0.438 nan 8.190 nan 0.000 0.468 308 L N 6.275 127.500 121.223 0.003 0.000 2.295 308 L HA 0.327 4.667 4.340 -0.000 0.000 0.288 308 L C 1.018 177.913 176.870 0.042 0.000 1.079 308 L CA 0.545 55.408 54.840 0.038 0.000 0.830 308 L CB 0.526 42.633 42.059 0.080 0.000 1.200 308 L HN 0.561 nan 8.230 nan 0.000 0.438 309 L N 3.612 124.847 121.223 0.020 0.000 2.046 309 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 309 L C 2.240 179.177 176.870 0.111 0.000 1.077 309 L CA 1.228 56.075 54.840 0.012 0.000 0.747 309 L CB -0.586 41.421 42.059 -0.086 0.000 0.896 309 L HN 0.759 nan 8.230 nan 0.000 0.432 310 E N 0.896 121.192 120.200 0.159 0.000 2.268 310 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 310 E C 2.013 178.803 176.600 0.317 0.000 0.995 310 E CA 1.225 57.809 56.400 0.305 0.000 0.836 310 E CB -0.454 29.389 29.700 0.239 0.000 0.763 310 E HN 0.427 nan 8.360 nan 0.000 0.491 311 G N 1.900 110.819 108.800 0.198 0.000 2.480 311 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 311 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 311 G C 1.823 176.864 174.900 0.236 0.000 1.200 311 G CA 1.826 47.035 45.100 0.182 0.000 0.782 311 G HN 0.487 nan 8.290 nan 0.000 0.554 312 A N 1.036 123.987 122.820 0.218 0.000 1.873 312 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 312 A C 2.249 180.120 177.584 0.479 0.000 1.186 312 A CA 1.895 54.114 52.037 0.303 0.000 0.616 312 A CB -0.442 18.647 19.000 0.149 0.000 0.823 312 A HN 0.348 nan 8.150 nan 0.000 0.442 313 N N -1.110 117.818 118.700 0.381 0.000 2.396 313 N HA -0.020 4.720 4.740 -0.000 0.000 0.180 313 N C 0.394 175.918 175.510 0.023 0.000 1.028 313 N CA 0.937 54.142 53.050 0.259 0.000 0.893 313 N CB -0.310 38.185 38.487 0.014 0.000 0.967 313 N HN 0.515 nan 8.380 nan 0.000 0.440 314 F N 0.132 120.201 119.950 0.198 0.000 2.639 314 F HA 0.194 4.721 4.527 -0.000 0.000 0.302 314 F C 0.541 176.452 175.800 0.186 0.000 1.097 314 F CA -0.863 57.227 58.000 0.150 0.000 1.294 314 F CB 0.286 39.333 39.000 0.078 0.000 1.027 314 F HN -0.245 nan 8.300 nan 0.000 0.550 315 D N 2.908 123.535 120.400 0.377 0.000 2.358 315 D HA 0.061 4.701 4.640 -0.000 0.000 0.258 315 D C -1.505 174.923 176.300 0.214 0.000 1.223 315 D CA -2.125 52.036 54.000 0.268 0.000 0.886 315 D CB 1.386 42.344 40.800 0.263 0.000 1.120 315 D HN 0.033 nan 8.370 nan 0.000 0.482 316 P HA -0.065 nan 4.420 nan 0.000 0.229 316 P C 0.779 178.106 177.300 0.044 0.000 1.160 316 P CA 0.496 63.660 63.100 0.106 0.000 0.777 316 P CB 0.548 32.301 31.700 0.088 0.000 0.814 317 E N -0.940 119.287 120.200 0.044 0.000 2.268 317 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 317 E C 1.637 178.199 176.600 -0.062 0.000 0.995 317 E CA 1.050 57.453 56.400 0.006 0.000 0.836 317 E CB -0.324 29.398 29.700 0.037 0.000 0.763 317 E HN 0.514 nan 8.360 nan 0.000 0.491 318 H N -1.566 117.357 119.070 -0.246 0.000 2.501 318 H HA 0.179 4.735 4.556 -0.000 0.000 0.281 318 H C -0.191 174.762 175.328 -0.625 0.000 0.988 318 H CA 0.188 55.879 56.048 -0.594 0.000 1.232 318 H CB 0.479 29.533 29.762 -1.180 0.000 1.455 318 H HN -0.118 nan 8.280 nan 0.000 0.501 319 F N 2.808 122.687 119.950 -0.119 0.000 2.307 319 F HA 0.364 4.891 4.527 -0.000 0.000 0.369 319 F C -2.271 173.489 175.800 -0.066 0.000 1.076 319 F CA -2.700 55.233 58.000 -0.111 0.000 1.149 319 F CB 1.157 40.131 39.000 -0.044 0.000 1.410 319 F HN 0.054 nan 8.300 nan 0.000 0.481 320 P HA -0.030 nan 4.420 nan 0.000 0.268 320 P C -0.369 176.969 177.300 0.063 0.000 1.208 320 P CA 0.093 63.220 63.100 0.045 0.000 0.777 320 P CB 0.384 32.086 31.700 0.003 0.000 0.875 321 N N 0.407 119.140 118.700 0.055 0.000 2.688 321 N HA -0.147 4.593 4.740 -0.000 0.000 0.258 321 N C -1.485 174.063 175.510 0.062 0.000 1.016 321 N CA 0.362 53.444 53.050 0.053 0.000 0.747 321 N CB -1.440 37.069 38.487 0.036 0.000 0.895 321 N HN 0.454 nan 8.380 nan 0.000 0.543 322 P HA -0.114 nan 4.420 nan 0.000 0.220 322 P C 1.430 178.776 177.300 0.078 0.000 1.148 322 P CA 1.633 64.787 63.100 0.090 0.000 0.803 322 P CB -0.059 31.758 31.700 0.196 0.000 0.782 323 G N -0.732 108.156 108.800 0.146 0.000 2.920 323 G HA2 0.006 3.966 3.960 -0.000 0.000 0.208 323 G HA3 0.006 3.966 3.960 -0.000 0.000 0.208 323 G C 0.409 175.361 174.900 0.087 0.000 1.159 323 G CA 0.051 45.253 45.100 0.171 0.000 0.784 323 G HN 0.254 nan 8.290 nan 0.000 0.535 324 S N 0.493 116.216 115.700 0.038 0.000 2.578 324 S HA 0.520 4.990 4.470 -0.000 0.000 0.283 324 S C -0.184 174.407 174.600 -0.014 0.000 1.195 324 S CA -0.621 57.590 58.200 0.018 0.000 1.050 324 S CB 1.855 65.066 63.200 0.019 0.000 1.012 324 S HN -0.008 nan 8.310 nan 0.000 0.511 325 I N 2.899 123.465 120.570 -0.006 0.000 2.379 325 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 325 I C 0.348 176.460 176.117 -0.008 0.000 1.063 325 I CA 0.262 61.551 61.300 -0.018 0.000 1.351 325 I CB -0.335 37.664 38.000 -0.001 0.000 1.410 325 I HN 0.686 nan 8.210 nan 0.000 0.505 326 E N 6.495 126.685 120.200 -0.016 0.000 2.218 326 E HA 0.330 4.680 4.350 -0.000 0.000 0.263 326 E C 0.239 176.843 176.600 0.007 0.000 0.879 326 E CA -0.493 55.907 56.400 0.001 0.000 0.762 326 E CB 2.318 32.021 29.700 0.005 0.000 1.166 326 E HN 0.484 nan 8.360 nan 0.000 0.415 327 L N 2.134 123.366 121.223 0.016 0.000 2.591 327 L HA 0.032 4.372 4.340 -0.000 0.000 0.228 327 L C 0.539 177.427 176.870 0.030 0.000 1.133 327 L CA 0.437 55.291 54.840 0.024 0.000 0.880 327 L CB -0.250 41.824 42.059 0.025 0.000 1.033 327 L HN 0.473 nan 8.230 nan 0.000 0.450 328 D N -1.472 118.944 120.400 0.027 0.000 2.650 328 D HA 0.060 4.700 4.640 -0.000 0.000 0.265 328 D C 0.483 176.801 176.300 0.031 0.000 1.339 328 D CA -0.426 53.590 54.000 0.028 0.000 0.816 328 D CB 0.107 40.919 40.800 0.020 0.000 1.091 328 D HN 0.017 nan 8.370 nan 0.000 0.483 329 R N 1.631 122.157 120.500 0.043 0.000 2.694 329 R HA 0.280 4.620 4.340 -0.000 0.000 0.268 329 R C -2.029 174.302 176.300 0.050 0.000 1.061 329 R CA -1.015 55.118 56.100 0.055 0.000 1.133 329 R CB 0.074 30.434 30.300 0.100 0.000 1.020 329 R HN 0.154 nan 8.270 nan 0.000 0.475 330 P HA -0.027 nan 4.420 nan 0.000 0.271 330 P C -1.045 176.275 177.300 0.035 0.000 1.216 330 P CA -0.125 62.982 63.100 0.010 0.000 0.776 330 P CB 0.268 31.950 31.700 -0.031 0.000 0.881 331 N N 1.631 120.355 118.700 0.039 0.000 2.666 331 N HA -0.163 4.577 4.740 -0.000 0.000 0.274 331 N C -1.501 174.086 175.510 0.129 0.000 1.043 331 N CA -0.055 53.034 53.050 0.065 0.000 0.782 331 N CB -0.884 37.634 38.487 0.052 0.000 0.912 331 N HN 0.485 nan 8.380 nan 0.000 0.556 332 P HA -0.159 nan 4.420 nan 0.000 0.226 332 P C 1.016 178.445 177.300 0.216 0.000 1.153 332 P CA 1.293 64.499 63.100 0.177 0.000 0.777 332 P CB 0.104 31.880 31.700 0.126 0.000 0.794 333 T N -3.461 111.168 114.554 0.126 0.000 3.144 333 T HA 0.049 4.399 4.350 -0.000 0.000 0.249 333 T C 1.543 176.147 174.700 -0.160 0.000 1.089 333 T CA 0.463 62.552 62.100 -0.019 0.000 0.989 333 T CB -0.991 67.898 68.868 0.036 0.000 0.992 333 T HN 0.133 nan 8.240 nan 0.000 0.540 334 S N 1.056 116.818 115.700 0.103 0.000 2.603 334 S HA -0.011 4.458 4.470 -0.000 0.000 0.229 334 S C 0.731 175.558 174.600 0.379 0.000 0.972 334 S CA -0.373 57.949 58.200 0.204 0.000 0.935 334 S CB -1.114 62.257 63.200 0.285 0.000 0.769 334 S HN 0.917 nan 8.310 nan 0.000 0.536 335 H N 0.386 119.786 119.070 0.550 0.000 2.730 335 H HA 0.409 4.965 4.556 -0.000 0.000 0.376 335 H C 0.576 176.063 175.328 0.264 0.000 1.299 335 H CA -0.642 55.689 56.048 0.472 0.000 1.447 335 H CB 0.195 30.034 29.762 0.128 0.000 1.493 335 H HN 0.142 nan 8.280 nan 0.000 0.619 336 L N 0.808 122.239 121.223 0.346 0.000 2.872 336 L HA 0.329 4.669 4.340 -0.000 0.000 0.245 336 L C 1.861 178.761 176.870 0.050 0.000 1.211 336 L CA 0.257 55.184 54.840 0.145 0.000 1.013 336 L CB -0.167 41.896 42.059 0.006 0.000 1.326 336 L HN 0.886 nan 8.230 nan 0.000 0.525 337 A N 0.145 123.049 122.820 0.141 0.000 2.019 337 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 337 A C 1.463 178.712 177.584 -0.557 0.000 1.164 337 A CA 1.496 53.333 52.037 -0.334 0.000 0.644 337 A CB -0.353 18.259 19.000 -0.647 0.000 0.805 337 A HN 0.396 nan 8.150 nan 0.000 0.449 338 F N -0.689 119.189 119.950 -0.121 0.000 2.647 338 F HA 0.442 4.969 4.527 -0.000 0.000 0.300 338 F C 1.555 177.111 175.800 -0.408 0.000 1.106 338 F CA 0.067 57.842 58.000 -0.375 0.000 1.313 338 F CB -0.232 38.424 39.000 -0.573 0.000 1.007 338 F HN 0.434 nan 8.300 nan 0.000 0.536 339 G N 1.252 110.006 108.800 -0.076 0.000 2.593 339 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.237 339 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.237 339 G C -0.544 174.497 174.900 0.234 0.000 1.312 339 G CA -0.273 44.828 45.100 0.001 0.000 0.896 339 G HN 0.515 nan 8.290 nan 0.000 0.574 340 R N -1.202 119.446 120.500 0.247 0.000 2.664 340 R HA 0.629 4.969 4.340 -0.000 0.000 0.260 340 R C 0.629 177.027 176.300 0.164 0.000 1.062 340 R CA 1.410 57.653 56.100 0.238 0.000 0.902 340 R CB 0.804 31.140 30.300 0.059 0.000 1.258 340 R HN 2.890 nan 8.270 nan 0.000 0.465 341 G N 2.184 111.045 108.800 0.102 0.000 2.498 341 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.245 341 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.245 341 G C 0.416 175.342 174.900 0.044 0.000 1.204 341 G CA 0.566 45.694 45.100 0.046 0.000 0.933 341 G HN 0.729 nan 8.290 nan 0.000 0.574 342 Q N -0.746 119.033 119.800 -0.034 0.000 2.152 342 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 342 Q C 1.879 177.710 176.000 -0.281 0.000 0.985 342 Q CA 2.659 58.345 55.803 -0.196 0.000 0.863 342 Q CB -0.239 28.291 28.738 -0.345 0.000 0.904 342 Q HN 0.735 nan 8.270 nan 0.000 0.422 343 H N -1.081 118.050 119.070 0.103 0.000 2.487 343 H HA 0.108 4.664 4.556 -0.000 0.000 0.290 343 H C -0.696 174.696 175.328 0.107 0.000 1.081 343 H CA -0.496 55.606 56.048 0.091 0.000 1.116 343 H CB -0.528 29.268 29.762 0.056 0.000 1.560 343 H HN 0.200 nan 8.280 nan 0.000 0.548 344 F N 1.907 121.897 119.950 0.067 0.000 2.629 344 F HA -0.057 4.470 4.527 -0.000 0.000 0.377 344 F C 0.846 176.682 175.800 0.061 0.000 1.101 344 F CA -0.437 57.597 58.000 0.056 0.000 1.301 344 F CB 0.475 39.486 39.000 0.018 0.000 1.062 344 F HN 0.156 nan 8.300 nan 0.000 0.583 345 C N 10.432 129.340 119.300 -0.653 0.000 2.601 345 C HA 0.098 4.558 4.460 -0.000 0.000 0.405 345 C C -0.689 174.140 174.990 -0.268 0.000 1.441 345 C CA -1.170 57.619 59.018 -0.382 0.000 1.555 345 C CB -0.485 27.055 27.740 -0.333 0.000 2.450 345 C HN 0.773 nan 8.230 nan 0.000 0.614 346 P HA 0.058 nan 4.420 nan 0.000 0.229 346 P C 1.080 178.395 177.300 0.025 0.000 1.160 346 P CA 1.473 64.608 63.100 0.059 0.000 0.777 346 P CB -0.008 31.791 31.700 0.165 0.000 0.814 347 G N 0.434 109.217 108.800 -0.029 0.000 3.233 347 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.227 347 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.227 347 G C 1.488 176.288 174.900 -0.167 0.000 1.175 347 G CA 0.532 45.623 45.100 -0.015 0.000 0.781 347 G HN 0.362 nan 8.290 nan 0.000 0.542 348 S N 1.080 116.518 115.700 -0.437 0.000 2.365 348 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 348 S C 2.595 176.870 174.600 -0.542 0.000 1.039 348 S CA 1.637 59.195 58.200 -1.070 0.000 1.033 348 S CB -0.494 61.908 63.200 -1.329 0.000 0.887 348 S HN 0.495 nan 8.310 nan 0.000 0.447 349 A N 1.588 124.270 122.820 -0.231 0.000 1.902 349 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 349 A C 2.283 179.864 177.584 -0.006 0.000 1.181 349 A CA 1.546 53.538 52.037 -0.075 0.000 0.623 349 A CB -0.949 18.038 19.000 -0.021 0.000 0.818 349 A HN 0.530 nan 8.150 nan 0.000 0.443 350 L N 0.147 121.371 121.223 0.002 0.000 2.046 350 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 350 L C 2.455 179.393 176.870 0.113 0.000 1.077 350 L CA 2.157 57.028 54.840 0.051 0.000 0.747 350 L CB -1.075 41.005 42.059 0.035 0.000 0.896 350 L HN 0.331 nan 8.230 nan 0.000 0.432 351 G N -0.970 107.897 108.800 0.110 0.000 2.446 351 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 351 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 351 G C 1.770 176.860 174.900 0.317 0.000 1.168 351 G CA 0.808 46.047 45.100 0.232 0.000 0.771 351 G HN 0.364 nan 8.290 nan 0.000 0.551 352 R N -0.458 120.200 120.500 0.263 0.000 2.083 352 R HA -0.001 4.339 4.340 -0.000 0.000 0.237 352 R C 2.817 179.254 176.300 0.229 0.000 1.137 352 R CA 1.055 57.317 56.100 0.271 0.000 0.951 352 R CB -0.224 30.196 30.300 0.200 0.000 0.851 352 R HN 0.100 nan 8.270 nan 0.000 0.434 353 R N -0.092 120.514 120.500 0.176 0.000 2.075 353 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 353 R C 2.176 178.574 176.300 0.164 0.000 1.126 353 R CA 1.215 57.402 56.100 0.145 0.000 0.963 353 R CB -1.082 29.282 30.300 0.107 0.000 0.858 353 R HN 0.483 nan 8.270 nan 0.000 0.435 354 H N 0.589 119.721 119.070 0.103 0.000 2.289 354 H HA -0.140 4.416 4.556 -0.000 0.000 0.294 354 H C 1.513 176.899 175.328 0.097 0.000 1.095 354 H CA 2.245 58.346 56.048 0.088 0.000 1.256 354 H CB 0.194 30.020 29.762 0.106 0.000 1.359 354 H HN 0.169 nan 8.280 nan 0.000 0.487 355 A N 0.732 123.725 122.820 0.289 0.000 1.929 355 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 355 A C 2.517 180.171 177.584 0.116 0.000 1.176 355 A CA 1.335 53.506 52.037 0.223 0.000 0.628 355 A CB -0.478 18.802 19.000 0.467 0.000 0.816 355 A HN 0.589 nan 8.150 nan 0.000 0.444 356 Q N -0.455 119.427 119.800 0.137 0.000 2.050 356 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 356 Q C 2.026 178.059 176.000 0.054 0.000 0.980 356 Q CA 1.589 57.451 55.803 0.099 0.000 0.840 356 Q CB -0.291 28.511 28.738 0.106 0.000 0.898 356 Q HN 0.724 nan 8.270 nan 0.000 0.424 357 I N 0.193 120.780 120.570 0.029 0.000 2.202 357 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 357 I C 2.352 178.469 176.117 -0.001 0.000 1.091 357 I CA 1.107 62.410 61.300 0.006 0.000 1.368 357 I CB -0.682 37.312 38.000 -0.009 0.000 1.058 357 I HN 0.303 nan 8.210 nan 0.000 0.410 358 G N 1.245 110.007 108.800 -0.063 0.000 2.476 358 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 358 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 358 G C 1.698 176.695 174.900 0.163 0.000 1.164 358 G CA 0.847 45.955 45.100 0.013 0.000 0.768 358 G HN 0.324 nan 8.290 nan 0.000 0.560 359 I N 0.216 120.832 120.570 0.077 0.000 2.286 359 I HA -0.081 4.089 4.170 -0.000 0.000 0.245 359 I C 2.664 178.804 176.117 0.039 0.000 1.104 359 I CA 1.247 62.584 61.300 0.061 0.000 1.397 359 I CB -0.180 37.848 38.000 0.047 0.000 1.072 359 I HN 0.317 nan 8.210 nan 0.000 0.417 360 E N 1.367 121.592 120.200 0.041 0.000 2.051 360 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 360 E C 2.276 178.886 176.600 0.017 0.000 0.991 360 E CA 1.443 57.861 56.400 0.031 0.000 0.799 360 E CB -0.029 29.689 29.700 0.030 0.000 0.748 360 E HN 0.467 nan 8.360 nan 0.000 0.449 361 A N 1.217 124.049 122.820 0.020 0.000 1.902 361 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 361 A C 2.205 179.743 177.584 -0.076 0.000 1.181 361 A CA 1.300 53.334 52.037 -0.005 0.000 0.623 361 A CB -0.655 18.366 19.000 0.035 0.000 0.818 361 A HN 0.432 nan 8.150 nan 0.000 0.443 362 L N -0.764 120.397 121.223 -0.103 0.000 2.109 362 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 362 L C 2.224 178.980 176.870 -0.189 0.000 1.086 362 L CA 0.958 55.639 54.840 -0.264 0.000 0.760 362 L CB -0.154 41.696 42.059 -0.348 0.000 0.910 362 L HN 0.380 nan 8.230 nan 0.000 0.437 363 L N -0.138 121.036 121.223 -0.080 0.000 2.201 363 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 363 L C 2.539 179.423 176.870 0.024 0.000 1.105 363 L CA 1.221 56.043 54.840 -0.030 0.000 0.775 363 L CB -0.408 41.685 42.059 0.057 0.000 0.913 363 L HN 0.273 nan 8.230 nan 0.000 0.440 364 K N 0.417 120.833 120.400 0.026 0.000 2.103 364 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 364 K C 1.997 178.581 176.600 -0.026 0.000 1.052 364 K CA 1.118 57.437 56.287 0.053 0.000 0.945 364 K CB 0.211 32.725 32.500 0.023 0.000 0.722 364 K HN 0.163 nan 8.250 nan 0.000 0.443 365 K N -0.652 119.676 120.400 -0.120 0.000 2.262 365 K HA 0.120 4.440 4.320 -0.000 0.000 0.200 365 K C 0.530 176.966 176.600 -0.273 0.000 1.049 365 K CA 0.586 56.761 56.287 -0.188 0.000 0.979 365 K CB 0.428 32.776 32.500 -0.253 0.000 0.773 365 K HN 0.144 nan 8.250 nan 0.000 0.474 366 M N 1.064 120.484 119.600 -0.301 0.000 3.287 366 M HA 0.157 4.637 4.480 -0.000 0.000 0.336 366 M C -2.206 173.979 176.300 -0.192 0.000 1.573 366 M CA -1.274 53.834 55.300 -0.319 0.000 0.609 366 M CB 1.385 33.669 32.600 -0.526 0.000 1.421 366 M HN -0.183 nan 8.290 nan 0.000 0.476 367 P HA -0.112 nan 4.420 nan 0.000 0.219 367 P C 1.255 178.433 177.300 -0.203 0.000 1.146 367 P CA 1.440 64.312 63.100 -0.381 0.000 0.808 367 P CB 0.034 31.274 31.700 -0.767 0.000 0.779 368 G N -0.106 108.649 108.800 -0.074 0.000 3.314 368 G HA2 0.071 4.031 3.960 -0.000 0.000 0.238 368 G HA3 0.071 4.031 3.960 -0.000 0.000 0.238 368 G C 0.213 175.144 174.900 0.051 0.000 1.184 368 G CA -0.203 44.895 45.100 -0.004 0.000 0.806 368 G HN 0.255 nan 8.290 nan 0.000 0.536 369 V N 0.867 120.807 119.914 0.043 0.000 2.681 369 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 369 V C -0.453 175.671 176.094 0.049 0.000 1.077 369 V CA 0.554 62.898 62.300 0.073 0.000 1.224 369 V CB 1.159 32.973 31.823 -0.015 0.000 0.879 369 V HN 0.341 nan 8.190 nan 0.000 0.494 370 D N 3.957 124.398 120.400 0.068 0.000 2.599 370 D HA 0.359 4.999 4.640 -0.000 0.000 0.252 370 D C -0.707 175.616 176.300 0.038 0.000 1.232 370 D CA -0.611 53.412 54.000 0.038 0.000 0.819 370 D CB 1.540 42.353 40.800 0.023 0.000 1.401 370 D HN 0.515 nan 8.370 nan 0.000 0.429 371 L N 1.015 122.252 121.223 0.025 0.000 2.483 371 L HA 0.374 4.714 4.340 -0.000 0.000 0.276 371 L C 1.234 178.107 176.870 0.005 0.000 1.213 371 L CA 0.131 54.981 54.840 0.017 0.000 0.843 371 L CB 0.903 42.971 42.059 0.015 0.000 1.107 371 L HN 0.636 nan 8.230 nan 0.000 0.487 372 A N 3.104 125.922 122.820 -0.003 0.000 2.343 372 A HA 0.341 4.661 4.320 -0.000 0.000 0.223 372 A C 0.159 177.729 177.584 -0.024 0.000 1.214 372 A CA 0.200 52.224 52.037 -0.021 0.000 0.900 372 A CB 0.265 19.249 19.000 -0.026 0.000 0.942 372 A HN 0.467 nan 8.150 nan 0.000 0.507 373 V N -3.749 116.154 119.914 -0.018 0.000 3.001 373 V HA 0.685 4.805 4.120 -0.000 0.000 0.314 373 V C -3.287 172.802 176.094 -0.009 0.000 1.099 373 V CA -2.881 59.407 62.300 -0.019 0.000 0.989 373 V CB 1.258 33.063 31.823 -0.029 0.000 1.040 373 V HN 0.034 nan 8.190 nan 0.000 0.434 374 P HA 0.238 nan 4.420 nan 0.000 0.266 374 P C 0.835 178.146 177.300 0.019 0.000 1.195 374 P CA 0.078 63.184 63.100 0.009 0.000 0.768 374 P CB 0.593 32.299 31.700 0.009 0.000 0.838 375 I N 2.147 122.741 120.570 0.040 0.000 2.248 375 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 375 I C 1.193 177.368 176.117 0.096 0.000 1.107 375 I CA 1.869 63.212 61.300 0.072 0.000 1.373 375 I CB -0.182 37.879 38.000 0.102 0.000 1.055 375 I HN 0.260 nan 8.210 nan 0.000 0.418 376 D N 0.125 120.575 120.400 0.082 0.000 2.378 376 D HA -0.131 4.509 4.640 -0.000 0.000 0.222 376 D C 1.869 178.204 176.300 0.059 0.000 0.980 376 D CA 0.577 54.634 54.000 0.095 0.000 0.907 376 D CB -0.110 40.732 40.800 0.070 0.000 0.899 376 D HN 0.442 nan 8.370 nan 0.000 0.527 377 Q N -0.198 119.612 119.800 0.017 0.000 2.424 377 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 377 Q C 0.697 176.649 176.000 -0.080 0.000 0.933 377 Q CA -0.019 55.772 55.803 -0.020 0.000 0.929 377 Q CB 0.364 29.088 28.738 -0.024 0.000 1.037 377 Q HN 0.366 nan 8.270 nan 0.000 0.511 378 L N 1.043 122.189 121.223 -0.129 0.000 2.456 378 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 378 L C 0.058 176.673 176.870 -0.424 0.000 1.189 378 L CA -0.268 54.372 54.840 -0.333 0.000 0.846 378 L CB 0.543 42.293 42.059 -0.515 0.000 1.111 378 L HN -0.215 nan 8.230 nan 0.000 0.475 379 V N 2.388 122.047 119.914 -0.425 0.000 2.318 379 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 379 V C -0.428 175.456 176.094 -0.349 0.000 1.030 379 V CA -0.519 61.612 62.300 -0.281 0.000 0.844 379 V CB 0.368 32.099 31.823 -0.154 0.000 1.015 379 V HN 0.555 nan 8.190 nan 0.000 0.460 380 W N 4.402 125.700 121.300 -0.004 0.000 2.345 380 W HA 0.442 5.102 4.660 -0.000 0.000 0.308 380 W C 0.916 177.428 176.519 -0.013 0.000 1.273 380 W CA -0.482 56.862 57.345 -0.001 0.000 1.243 380 W CB 0.427 29.895 29.460 0.013 0.000 1.260 380 W HN 0.433 nan 8.180 nan 0.000 0.509 381 R N 2.741 123.349 120.500 0.181 0.000 2.449 381 R HA 0.116 4.456 4.340 -0.000 0.000 0.296 381 R C 0.401 176.779 176.300 0.129 0.000 1.047 381 R CA 0.218 56.350 56.100 0.054 0.000 1.018 381 R CB 0.394 30.634 30.300 -0.100 0.000 0.962 381 R HN 0.545 nan 8.270 nan 0.000 0.428 382 T N 1.589 116.199 114.554 0.092 0.000 2.943 382 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 382 T C -0.074 174.700 174.700 0.125 0.000 1.015 382 T CA -0.979 61.185 62.100 0.108 0.000 1.042 382 T CB 1.129 70.044 68.868 0.078 0.000 1.055 382 T HN 0.778 nan 8.240 nan 0.000 0.500 383 R N -0.199 120.369 120.500 0.114 0.000 3.225 383 R HA -0.160 4.180 4.340 -0.000 0.000 0.245 383 R C -1.066 175.355 176.300 0.202 0.000 0.928 383 R CA 0.230 56.395 56.100 0.110 0.000 0.632 383 R CB -2.027 28.316 30.300 0.071 0.000 1.038 383 R HN 0.594 nan 8.270 nan 0.000 0.461 384 F N -0.959 118.998 119.950 0.011 0.000 2.613 384 F HA 0.221 4.747 4.527 -0.000 0.000 0.314 384 F C 1.128 176.928 175.800 0.000 0.000 1.075 384 F CA -1.056 56.954 58.000 0.016 0.000 0.945 384 F CB 1.610 40.627 39.000 0.029 0.000 1.310 384 F HN -0.091 nan 8.300 nan 0.000 0.467 385 Q N 1.342 120.847 119.800 -0.492 0.000 2.472 385 Q HA 0.134 4.474 4.340 -0.000 0.000 0.208 385 Q C -0.201 175.601 176.000 -0.329 0.000 0.958 385 Q CA 0.605 56.193 55.803 -0.358 0.000 0.932 385 Q CB 0.316 28.847 28.738 -0.346 0.000 1.007 385 Q HN 0.204 nan 8.270 nan 0.000 0.508 386 R N 0.245 120.645 120.500 -0.167 0.000 2.803 386 R HA 0.441 4.781 4.340 -0.000 0.000 0.276 386 R C -0.660 175.783 176.300 0.239 0.000 0.978 386 R CA -0.669 55.439 56.100 0.014 0.000 0.939 386 R CB 1.250 31.565 30.300 0.025 0.000 1.179 386 R HN 0.011 nan 8.270 nan 0.000 0.472 387 R N 2.314 122.920 120.500 0.178 0.000 2.207 387 R HA 0.521 4.861 4.340 -0.000 0.000 0.334 387 R C 0.014 176.518 176.300 0.340 0.000 1.013 387 R CA -0.245 55.992 56.100 0.229 0.000 0.858 387 R CB 0.397 30.750 30.300 0.089 0.000 1.094 387 R HN 0.565 nan 8.270 nan 0.000 0.457 388 I N -0.292 120.536 120.570 0.430 0.000 2.841 388 I HA 0.536 4.706 4.170 -0.000 0.000 0.298 388 I C -2.841 173.354 176.117 0.130 0.000 1.304 388 I CA -2.946 58.545 61.300 0.319 0.000 1.019 388 I CB 2.876 40.964 38.000 0.147 0.000 1.282 388 I HN 0.332 nan 8.210 nan 0.000 0.432 389 P HA 0.244 nan 4.420 nan 0.000 0.284 389 P C -0.211 176.925 177.300 -0.274 0.000 1.253 389 P CA -0.065 62.681 63.100 -0.591 0.000 0.800 389 P CB 1.517 32.760 31.700 -0.763 0.000 0.961 390 E N 1.912 121.963 120.200 -0.248 0.000 2.150 390 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 390 E C 0.435 176.966 176.600 -0.115 0.000 0.985 390 E CA 1.240 57.552 56.400 -0.147 0.000 0.814 390 E CB 0.178 29.803 29.700 -0.125 0.000 0.752 390 E HN 0.522 nan 8.360 nan 0.000 0.466 391 R N -0.308 120.105 120.500 -0.145 0.000 2.725 391 R HA 0.421 4.761 4.340 -0.000 0.000 0.277 391 R C -1.122 175.103 176.300 -0.125 0.000 0.987 391 R CA -0.766 55.274 56.100 -0.101 0.000 0.901 391 R CB 1.663 31.917 30.300 -0.078 0.000 1.207 391 R HN -0.116 nan 8.270 nan 0.000 0.463 392 L N 3.512 124.691 121.223 -0.074 0.000 2.457 392 L HA 0.473 4.813 4.340 -0.000 0.000 0.252 392 L C -2.669 174.188 176.870 -0.022 0.000 1.132 392 L CA -2.181 52.621 54.840 -0.064 0.000 0.938 392 L CB 1.186 43.222 42.059 -0.039 0.000 1.246 392 L HN 0.391 nan 8.230 nan 0.000 0.476 393 P HA 0.328 nan 4.420 nan 0.000 0.287 393 P C -0.853 176.459 177.300 0.021 0.000 1.294 393 P CA -0.108 62.992 63.100 0.001 0.000 0.776 393 P CB 1.279 32.969 31.700 -0.018 0.000 0.889 394 V N 2.267 122.221 119.914 0.067 0.000 2.864 394 V HA 0.804 4.924 4.120 -0.000 0.000 0.314 394 V C -0.483 175.701 176.094 0.151 0.000 1.073 394 V CA -1.142 61.221 62.300 0.105 0.000 0.956 394 V CB 1.640 33.538 31.823 0.125 0.000 1.023 394 V HN 0.315 nan 8.190 nan 0.000 0.435 395 L N 0.848 122.133 121.223 0.105 0.000 2.256 395 L HA 1.104 5.444 4.340 -0.000 0.000 0.261 395 L C -0.438 176.542 176.870 0.184 0.000 1.022 395 L CA -0.631 54.190 54.840 -0.032 0.000 0.828 395 L CB 1.286 43.247 42.059 -0.164 0.000 1.374 395 L HN 1.112 nan 8.230 nan 0.000 0.436 396 W N 0.000 121.260 121.300 -0.066 0.000 2.388 396 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 396 W CA 0.000 57.300 57.345 -0.076 0.000 1.226 396 W CB 0.000 29.403 29.460 -0.094 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535