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 3i3r_1_B DATA FIRST_RESID 5 DATA SEQUENCE YEGCGDLTIF VAVALNKVIG HKNQIPWPHI THDFRFLRNG TTYIPPXXXX DATA SEQUENCE XXPDIQNVVI FGRKTYEXXX XXXXXLKNRI NVILSRTVKE VPGCLVYEDL DATA SEQUENCE STAIRDLRAN VPHNKIFILG GSFLYKEVLD NGLCDKIYLT RLNKEYPGDT DATA SEQUENCE YFPDIPDTFE ITAISPTFST DFVSYDFVIY ERKXXXXXXX XPPFDQLLMT DATA SEQUENCE GTDISXXKPK YVACPGVRIR NHEEFQYLDI LADVLSHGVL KPNRTGTDAY DATA SEQUENCE SKFGYQMRFD LSRSFPLLTT KKVALRSIIE ELLWFIKGST NGNDLLAKNV DATA SEQUENCE RIWELNGRRD FLDKNGFTDR EEHDLGPIYG FQWRHFGAEY LDMHADYTGK DATA SEQUENCE GIDQLAEIIN RIKTNPNDRR LIVCSWNVSD LKKMALPPCH CFFQFYVSDN DATA SEQUENCE KLSCMMHQRS CDLGLGVPFN IASYSILTAM VAQVCGLGLG EFVHNLADAH DATA SEQUENCE IYVDHVDAVT TQIARIPHPF PRLRLNPDIR NIEDFTIDDI VVEDYVSHPP DATA SEQUENCE I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.904 175.900 0.007 0.000 1.272 5 Y CA 0.000 58.105 58.100 0.008 0.000 1.940 5 Y CB 0.000 38.468 38.460 0.013 0.000 1.050 6 E N 0.063 120.314 120.200 0.084 0.000 2.338 6 E HA 0.506 4.855 4.350 -0.001 0.000 0.272 6 E C 1.334 177.966 176.600 0.054 0.000 1.029 6 E CA 0.095 56.530 56.400 0.059 0.000 0.872 6 E CB 0.617 30.334 29.700 0.027 0.000 1.015 6 E HN 1.208 nan 8.360 nan 0.000 0.417 7 G N 0.418 109.248 108.800 0.051 0.000 2.162 7 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 7 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 7 G C 0.939 175.870 174.900 0.052 0.000 0.976 7 G CA 0.656 45.781 45.100 0.041 0.000 0.655 7 G HN 1.216 nan 8.290 nan 0.000 0.533 8 C N 1.119 120.467 119.300 0.080 0.000 3.000 8 C HA 0.634 5.093 4.460 -0.001 0.000 0.286 8 C C 1.922 176.951 174.990 0.064 0.000 1.343 8 C CA -0.395 58.676 59.018 0.089 0.000 1.742 8 C CB -0.668 27.183 27.740 0.186 0.000 2.200 8 C HN 0.884 nan 8.230 nan 0.000 0.621 9 G N -0.078 108.753 108.800 0.052 0.000 2.621 9 G HA2 0.405 4.364 3.960 -0.001 0.000 0.271 9 G HA3 0.405 4.364 3.960 -0.001 0.000 0.271 9 G C -0.191 174.730 174.900 0.035 0.000 1.236 9 G CA 0.305 45.428 45.100 0.039 0.000 0.958 9 G HN 0.448 nan 8.290 nan 0.000 0.512 10 D N -1.958 118.465 120.400 0.038 0.000 2.746 10 D HA -0.158 4.482 4.640 -0.001 0.000 0.241 10 D C -0.146 176.176 176.300 0.037 0.000 1.140 10 D CA 0.484 54.508 54.000 0.040 0.000 0.707 10 D CB -1.377 39.439 40.800 0.026 0.000 1.034 10 D HN 0.326 nan 8.370 nan 0.000 0.423 11 L N 0.455 121.714 121.223 0.059 0.000 2.325 11 L HA 0.572 4.912 4.340 -0.001 0.000 0.278 11 L C 0.748 177.695 176.870 0.129 0.000 1.023 11 L CA -0.778 54.099 54.840 0.061 0.000 0.811 11 L CB 2.050 44.148 42.059 0.065 0.000 1.249 11 L HN -0.018 nan 8.230 nan 0.000 0.431 12 T N 3.370 118.014 114.554 0.150 0.000 2.779 12 T HA 0.544 4.894 4.350 -0.001 0.000 0.280 12 T C -0.049 174.910 174.700 0.431 0.000 0.987 12 T CA -0.308 61.974 62.100 0.304 0.000 0.966 12 T CB 1.180 70.285 68.868 0.397 0.000 0.933 12 T HN 0.259 nan 8.240 nan 0.000 0.442 13 I N 3.145 123.936 120.570 0.368 0.000 2.396 13 I HA 0.408 4.578 4.170 -0.001 0.000 0.292 13 I C -0.700 175.610 176.117 0.321 0.000 0.999 13 I CA -0.461 61.077 61.300 0.395 0.000 1.310 13 I CB 0.805 38.976 38.000 0.284 0.000 1.404 13 I HN 0.507 nan 8.210 nan 0.000 0.496 14 F N 5.644 125.799 119.950 0.342 0.000 2.507 14 F HA 0.696 5.223 4.527 -0.001 0.000 0.325 14 F C -0.199 175.717 175.800 0.193 0.000 1.116 14 F CA -0.563 57.582 58.000 0.241 0.000 0.930 14 F CB 1.931 41.011 39.000 0.135 0.000 1.146 14 F HN 0.070 nan 8.300 nan 0.000 0.447 15 V N 2.412 122.433 119.914 0.178 0.000 3.167 15 V HA 0.858 4.977 4.120 -0.001 0.000 0.293 15 V C -1.788 174.287 176.094 -0.032 0.000 1.379 15 V CA -0.631 61.675 62.300 0.010 0.000 1.019 15 V CB 2.076 33.582 31.823 -0.529 0.000 1.115 15 V HN 0.914 nan 8.190 nan 0.000 0.442 16 A N 4.681 127.531 122.820 0.049 0.000 2.303 16 A HA 0.897 5.217 4.320 -0.001 0.000 0.320 16 A C -1.242 176.420 177.584 0.130 0.000 1.192 16 A CA -0.497 51.583 52.037 0.071 0.000 0.821 16 A CB 1.601 20.732 19.000 0.219 0.000 1.188 16 A HN 1.248 nan 8.150 nan 0.000 0.492 17 V N 1.890 121.768 119.914 -0.061 0.000 2.638 17 V HA 0.676 4.796 4.120 -0.001 0.000 0.306 17 V C 0.630 176.662 176.094 -0.103 0.000 1.052 17 V CA -0.403 61.885 62.300 -0.019 0.000 0.885 17 V CB 1.386 33.136 31.823 -0.122 0.000 0.999 17 V HN 1.263 nan 8.190 nan 0.000 0.424 18 A N 2.911 125.738 122.820 0.011 0.000 2.259 18 A HA 0.597 4.916 4.320 -0.001 0.000 0.278 18 A C 0.966 178.566 177.584 0.027 0.000 1.107 18 A CA -0.259 51.776 52.037 -0.003 0.000 0.828 18 A CB 0.240 19.380 19.000 0.233 0.000 1.111 18 A HN 0.919 nan 8.150 nan 0.000 0.498 19 L N 0.196 121.428 121.223 0.014 0.000 2.265 19 L HA -0.111 4.228 4.340 -0.001 0.000 0.215 19 L C 1.480 178.369 176.870 0.031 0.000 1.117 19 L CA 2.270 57.106 54.840 -0.006 0.000 0.782 19 L CB -0.590 41.441 42.059 -0.048 0.000 0.914 19 L HN 0.842 nan 8.230 nan 0.000 0.441 20 N N -1.300 117.445 118.700 0.075 0.000 2.251 20 N HA -0.004 4.736 4.740 -0.001 0.000 0.217 20 N C 0.280 175.926 175.510 0.226 0.000 1.124 20 N CA 0.103 53.230 53.050 0.129 0.000 0.843 20 N CB -0.034 38.531 38.487 0.130 0.000 1.024 20 N HN 0.315 nan 8.380 nan 0.000 0.501 21 K N -1.655 118.857 120.400 0.187 0.000 3.512 21 K HA -0.117 4.203 4.320 -0.001 0.000 0.309 21 K C -0.730 175.986 176.600 0.194 0.000 1.350 21 K CA 0.558 56.996 56.287 0.253 0.000 0.960 21 K CB -1.991 30.714 32.500 0.342 0.000 1.290 21 K HN 0.086 nan 8.250 nan 0.000 0.454 22 V N 2.456 122.367 119.914 -0.006 0.000 2.585 22 V HA 0.019 4.139 4.120 -0.001 0.000 0.296 22 V C 1.723 177.867 176.094 0.082 0.000 1.035 22 V CA 0.981 63.136 62.300 -0.241 0.000 1.084 22 V CB 0.753 32.462 31.823 -0.189 0.000 0.953 22 V HN 0.364 nan 8.190 nan 0.000 0.483 23 I N 1.754 122.341 120.570 0.028 0.000 4.323 23 I HA 0.619 4.789 4.170 -0.001 0.000 0.328 23 I C 0.758 176.829 176.117 -0.077 0.000 1.310 23 I CA 0.228 61.595 61.300 0.112 0.000 1.186 23 I CB 0.782 38.907 38.000 0.208 0.000 1.130 23 I HN 0.601 nan 8.210 nan 0.000 0.411 24 G N 0.279 109.022 108.800 -0.095 0.000 2.659 24 G HA2 0.567 4.527 3.960 -0.001 0.000 0.296 24 G HA3 0.567 4.527 3.960 -0.001 0.000 0.296 24 G C -2.281 172.603 174.900 -0.028 0.000 1.369 24 G CA -0.370 44.667 45.100 -0.105 0.000 0.937 24 G HN 0.284 nan 8.290 nan 0.000 0.485 25 H N -0.009 118.970 119.070 -0.151 0.000 2.840 25 H HA 0.538 5.093 4.556 -0.000 0.000 0.340 25 H C 0.430 175.709 175.328 -0.081 0.000 1.004 25 H CA 0.403 56.392 56.048 -0.099 0.000 1.288 25 H CB 1.207 30.914 29.762 -0.090 0.000 1.607 25 H HN 1.203 nan 8.280 nan 0.000 0.522 26 K N 3.586 123.791 120.400 -0.324 0.000 3.311 26 K HA -0.289 4.031 4.320 -0.001 0.000 0.270 26 K C 0.697 177.202 176.600 -0.159 0.000 0.927 26 K CA 1.170 57.294 56.287 -0.271 0.000 0.706 26 K CB -2.833 29.434 32.500 -0.389 0.000 1.418 26 K HN 0.994 nan 8.250 nan 0.000 0.459 27 N N -1.120 117.516 118.700 -0.107 0.000 2.681 27 N HA -0.170 4.569 4.740 -0.001 0.000 0.250 27 N C -0.191 175.260 175.510 -0.098 0.000 1.133 27 N CA 1.814 54.813 53.050 -0.085 0.000 0.732 27 N CB -0.268 38.176 38.487 -0.071 0.000 1.107 27 N HN 0.929 nan 8.380 nan 0.000 0.559 28 Q N -0.243 119.488 119.800 -0.116 0.000 2.445 28 Q HA 0.492 4.832 4.340 -0.001 0.000 0.281 28 Q C 0.533 176.417 176.000 -0.193 0.000 1.101 28 Q CA -0.676 55.047 55.803 -0.133 0.000 0.833 28 Q CB 1.439 30.104 28.738 -0.122 0.000 1.416 28 Q HN 0.195 nan 8.270 nan 0.000 0.451 29 I N 3.469 123.879 120.570 -0.267 0.000 2.452 29 I HA 0.035 4.205 4.170 -0.001 0.000 0.287 29 I C -1.299 174.430 176.117 -0.647 0.000 1.079 29 I CA -1.420 59.553 61.300 -0.545 0.000 1.387 29 I CB 0.667 38.364 38.000 -0.507 0.000 1.404 29 I HN 0.314 nan 8.210 nan 0.000 0.522 30 P HA -0.074 nan 4.420 nan 0.000 0.230 30 P C -0.821 176.245 177.300 -0.389 0.000 1.158 30 P CA 0.867 63.730 63.100 -0.394 0.000 0.769 30 P CB -0.075 31.504 31.700 -0.201 0.000 0.807 31 W N -1.413 119.616 121.300 -0.451 0.000 2.820 31 W HA 0.707 5.366 4.660 -0.000 0.000 0.350 31 W C -2.875 173.426 176.519 -0.362 0.000 1.116 31 W CA -3.240 53.676 57.345 -0.715 0.000 1.146 31 W CB -1.121 27.650 29.460 -1.147 0.000 1.433 31 W HN -0.388 nan 8.180 nan 0.000 0.561 32 P HA -0.037 nan 4.420 nan 0.000 0.266 32 P C -0.496 176.918 177.300 0.191 0.000 1.195 32 P CA 0.172 63.144 63.100 -0.214 0.000 0.768 32 P CB 0.277 31.507 31.700 -0.785 0.000 0.838 33 H N 2.347 121.506 119.070 0.149 0.000 3.140 33 H HA 0.026 4.582 4.556 -0.001 0.000 0.316 33 H C -0.118 175.494 175.328 0.474 0.000 0.986 33 H CA 0.784 57.022 56.048 0.317 0.000 1.397 33 H CB -0.288 29.562 29.762 0.146 0.000 1.377 33 H HN 0.246 nan 8.280 nan 0.000 0.585 34 I N 5.900 126.567 120.570 0.162 0.000 2.347 34 I HA 0.026 4.196 4.170 -0.001 0.000 0.283 34 I C 1.250 177.388 176.117 0.035 0.000 1.058 34 I CA -0.340 60.998 61.300 0.063 0.000 1.202 34 I CB 1.183 39.070 38.000 -0.188 0.000 1.386 34 I HN 0.731 nan 8.210 nan 0.000 0.475 35 T N 2.176 116.845 114.554 0.192 0.000 2.699 35 T HA -0.270 4.079 4.350 -0.001 0.000 0.268 35 T C 1.827 176.714 174.700 0.312 0.000 1.036 35 T CA 1.805 64.100 62.100 0.325 0.000 1.147 35 T CB -0.377 68.676 68.868 0.308 0.000 0.862 35 T HN 0.608 nan 8.240 nan 0.000 0.446 36 H N 0.430 119.567 119.070 0.112 0.000 2.319 36 H HA -0.149 4.407 4.556 -0.001 0.000 0.299 36 H C 2.378 177.793 175.328 0.145 0.000 1.092 36 H CA 1.569 57.687 56.048 0.117 0.000 1.302 36 H CB -0.084 29.758 29.762 0.133 0.000 1.373 36 H HN 0.290 nan 8.280 nan 0.000 0.497 37 D N -0.224 120.184 120.400 0.014 0.000 2.149 37 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 37 D C 1.844 178.035 176.300 -0.183 0.000 0.990 37 D CA 1.178 55.108 54.000 -0.118 0.000 0.839 37 D CB -0.291 40.277 40.800 -0.387 0.000 0.948 37 D HN 0.318 nan 8.370 nan 0.000 0.460 38 F N 0.040 120.022 119.950 0.053 0.000 2.293 38 F HA 0.207 4.733 4.527 -0.001 0.000 0.297 38 F C 2.611 178.436 175.800 0.042 0.000 1.089 38 F CA 0.393 58.426 58.000 0.055 0.000 1.377 38 F CB -0.320 38.728 39.000 0.081 0.000 1.051 38 F HN -0.160 nan 8.300 nan 0.000 0.511 39 R N -0.402 120.230 120.500 0.220 0.000 2.091 39 R HA -0.208 4.132 4.340 -0.001 0.000 0.238 39 R C 2.247 178.555 176.300 0.013 0.000 1.136 39 R CA 1.735 57.911 56.100 0.127 0.000 0.959 39 R CB -0.610 29.803 30.300 0.188 0.000 0.856 39 R HN 0.297 nan 8.270 nan 0.000 0.437 40 F N 0.766 120.596 119.950 -0.199 0.000 2.075 40 F HA -0.226 4.301 4.527 -0.001 0.000 0.297 40 F C 1.964 177.569 175.800 -0.326 0.000 1.113 40 F CA 1.314 59.084 58.000 -0.384 0.000 1.218 40 F CB -0.454 38.089 39.000 -0.762 0.000 0.984 40 F HN 0.012 nan 8.300 nan 0.000 0.472 41 L N 1.608 122.754 121.223 -0.127 0.000 2.042 41 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 41 L C 2.702 179.231 176.870 -0.568 0.000 1.076 41 L CA 2.623 57.215 54.840 -0.414 0.000 0.749 41 L CB -1.631 40.331 42.059 -0.163 0.000 0.893 41 L HN 0.211 nan 8.230 nan 0.000 0.432 42 R N -0.096 120.234 120.500 -0.282 0.000 2.080 42 R HA -0.181 4.158 4.340 -0.001 0.000 0.236 42 R C 2.062 178.175 176.300 -0.313 0.000 1.137 42 R CA 1.902 57.861 56.100 -0.235 0.000 0.943 42 R CB -2.025 28.227 30.300 -0.081 0.000 0.846 42 R HN 0.639 nan 8.270 nan 0.000 0.431 43 N N 0.213 118.726 118.700 -0.312 0.000 2.104 43 N HA -0.106 4.634 4.740 -0.001 0.000 0.190 43 N C 2.163 177.440 175.510 -0.388 0.000 1.024 43 N CA 1.792 54.668 53.050 -0.289 0.000 0.853 43 N CB -0.675 37.654 38.487 -0.265 0.000 1.008 43 N HN 0.592 nan 8.380 nan 0.000 0.424 44 G N 0.078 108.486 108.800 -0.653 0.000 2.422 44 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 44 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 44 G C 1.487 175.910 174.900 -0.796 0.000 1.140 44 G CA 1.573 46.252 45.100 -0.702 0.000 0.775 44 G HN 0.501 nan 8.290 nan 0.000 0.545 45 T N -2.089 111.873 114.554 -0.986 0.000 3.107 45 T HA 0.079 4.428 4.350 -0.001 0.000 0.249 45 T C 1.869 176.343 174.700 -0.378 0.000 1.096 45 T CA 1.373 62.825 62.100 -1.080 0.000 1.012 45 T CB 0.117 68.372 68.868 -1.022 0.000 0.977 45 T HN 0.284 nan 8.240 nan 0.000 0.527 46 T N -1.973 112.450 114.554 -0.219 0.000 3.044 46 T HA 0.260 4.610 4.350 -0.001 0.000 0.260 46 T C 0.090 174.806 174.700 0.027 0.000 1.019 46 T CA -0.725 61.339 62.100 -0.059 0.000 0.921 46 T CB -0.657 68.172 68.868 -0.065 0.000 1.053 46 T HN 0.406 nan 8.240 nan 0.000 0.533 47 Y N 3.153 123.417 120.300 -0.061 0.000 2.402 47 Y HA 0.516 5.065 4.550 -0.000 0.000 0.333 47 Y C -0.589 175.340 175.900 0.048 0.000 1.076 47 Y CA -1.787 56.305 58.100 -0.013 0.000 1.299 47 Y CB 0.235 38.680 38.460 -0.025 0.000 1.197 47 Y HN 0.116 nan 8.280 nan 0.000 0.517 48 I N 8.973 129.140 120.570 -0.671 0.000 2.418 48 I HA 0.299 4.469 4.170 -0.001 0.000 0.287 48 I C -2.338 173.264 176.117 -0.860 0.000 1.008 48 I CA -2.615 58.330 61.300 -0.591 0.000 1.104 48 I CB 1.132 38.984 38.000 -0.246 0.000 1.264 48 I HN 0.568 nan 8.210 nan 0.000 0.438 49 P HA 0.080 nan 4.420 nan 0.000 0.263 49 P C -2.030 175.163 177.300 -0.178 0.000 1.175 49 P CA -0.294 62.601 63.100 -0.342 0.000 0.761 49 P CB -0.285 31.349 31.700 -0.110 0.000 0.794 58 D N 0.013 120.409 120.400 -0.007 0.000 2.479 58 D HA 0.228 4.867 4.640 -0.001 0.000 0.218 58 D C 0.585 176.887 176.300 0.004 0.000 1.177 58 D CA -0.282 53.718 54.000 -0.001 0.000 0.830 58 D CB 1.007 41.809 40.800 0.004 0.000 1.014 58 D HN 0.232 nan 8.370 nan 0.000 0.503 59 I N 1.329 121.897 120.570 -0.002 0.000 2.754 59 I HA 0.047 4.216 4.170 -0.001 0.000 0.285 59 I C -0.236 175.889 176.117 0.014 0.000 1.166 59 I CA 0.314 61.617 61.300 0.006 0.000 1.417 59 I CB 0.533 38.527 38.000 -0.011 0.000 1.382 59 I HN -0.033 nan 8.210 nan 0.000 0.588 60 Q N 5.040 124.865 119.800 0.042 0.000 2.458 60 Q HA 0.425 4.765 4.340 -0.001 0.000 0.282 60 Q C -1.165 174.892 176.000 0.095 0.000 1.106 60 Q CA -1.053 54.782 55.803 0.053 0.000 0.814 60 Q CB 1.671 30.439 28.738 0.049 0.000 1.425 60 Q HN 0.577 nan 8.270 nan 0.000 0.437 61 N N -0.007 118.760 118.700 0.112 0.000 2.493 61 N HA 0.338 5.077 4.740 -0.001 0.000 0.275 61 N C -0.938 174.646 175.510 0.124 0.000 1.186 61 N CA -0.126 53.028 53.050 0.174 0.000 0.978 61 N CB 1.301 39.990 38.487 0.336 0.000 1.184 61 N HN 0.182 nan 8.380 nan 0.000 0.487 62 V N 1.274 121.231 119.914 0.073 0.000 2.532 62 V HA 0.359 4.479 4.120 -0.001 0.000 0.295 62 V C 0.091 176.201 176.094 0.027 0.000 1.041 62 V CA -0.678 61.604 62.300 -0.029 0.000 0.926 62 V CB 1.903 33.591 31.823 -0.224 0.000 0.992 62 V HN 0.270 nan 8.190 nan 0.000 0.457 63 V N 6.108 125.980 119.914 -0.069 0.000 2.444 63 V HA 0.514 4.634 4.120 -0.001 0.000 0.294 63 V C -0.326 175.468 176.094 -0.500 0.000 1.022 63 V CA -0.333 61.853 62.300 -0.190 0.000 0.850 63 V CB 1.719 33.415 31.823 -0.210 0.000 0.992 63 V HN 0.658 nan 8.190 nan 0.000 0.426 64 I N 6.304 126.607 120.570 -0.445 0.000 2.404 64 I HA 0.651 4.821 4.170 -0.001 0.000 0.293 64 I C -0.691 175.135 176.117 -0.485 0.000 0.992 64 I CA -0.385 60.654 61.300 -0.435 0.000 1.149 64 I CB 1.419 39.328 38.000 -0.153 0.000 1.315 64 I HN 0.555 nan 8.210 nan 0.000 0.446 65 F N 2.181 122.158 119.950 0.043 0.000 2.643 65 F HA 0.800 5.327 4.527 -0.001 0.000 0.314 65 F C 0.534 176.344 175.800 0.018 0.000 1.096 65 F CA -1.270 56.737 58.000 0.012 0.000 0.953 65 F CB 0.892 39.903 39.000 0.017 0.000 1.345 65 F HN 0.435 nan 8.300 nan 0.000 0.468 66 G N -0.484 108.455 108.800 0.232 0.000 2.621 66 G HA2 0.453 4.413 3.960 -0.001 0.000 0.271 66 G HA3 0.453 4.413 3.960 -0.001 0.000 0.271 66 G C 0.765 175.739 174.900 0.123 0.000 1.236 66 G CA -0.244 44.948 45.100 0.154 0.000 0.958 66 G HN 1.060 nan 8.290 nan 0.000 0.512 67 R N -0.720 119.839 120.500 0.097 0.000 2.092 67 R HA 0.048 4.388 4.340 -0.001 0.000 0.231 67 R C 2.758 179.069 176.300 0.018 0.000 1.119 67 R CA 2.382 58.516 56.100 0.056 0.000 0.970 67 R CB -1.604 28.732 30.300 0.059 0.000 0.864 67 R HN 0.860 nan 8.270 nan 0.000 0.440 68 K N 0.180 120.600 120.400 0.033 0.000 2.026 68 K HA -0.039 4.281 4.320 -0.001 0.000 0.208 68 K C 1.635 178.212 176.600 -0.037 0.000 1.048 68 K CA 1.389 57.679 56.287 0.005 0.000 0.929 68 K CB -1.445 31.069 32.500 0.022 0.000 0.713 68 K HN 0.524 nan 8.250 nan 0.000 0.439 69 T N 0.768 115.296 114.554 -0.043 0.000 2.695 69 T HA 0.287 4.637 4.350 -0.001 0.000 0.264 69 T C 0.142 174.738 174.700 -0.174 0.000 0.993 69 T CA 0.844 62.891 62.100 -0.088 0.000 1.248 69 T CB -1.267 67.566 68.868 -0.058 0.000 0.946 69 T HN 0.469 nan 8.240 nan 0.000 0.526 70 Y N 0.253 120.474 120.300 -0.132 0.000 2.700 70 Y HA 0.661 5.211 4.550 -0.001 0.000 0.333 70 Y C 0.371 176.186 175.900 -0.142 0.000 1.036 70 Y CA -1.531 56.487 58.100 -0.137 0.000 1.287 70 Y CB -0.801 37.599 38.460 -0.099 0.000 1.132 70 Y HN 0.970 nan 8.280 nan 0.000 0.510 81 K N 0.985 121.407 120.400 0.036 0.000 2.276 81 K HA 0.593 4.913 4.320 -0.001 0.000 0.259 81 K C 1.036 177.647 176.600 0.018 0.000 1.001 81 K CA 0.416 56.717 56.287 0.023 0.000 0.927 81 K CB -0.072 32.435 32.500 0.012 0.000 0.969 81 K HN 2.285 nan 8.250 nan 0.000 0.490 82 N N -0.751 117.959 118.700 0.017 0.000 2.713 82 N HA -0.174 4.566 4.740 -0.001 0.000 0.251 82 N C -0.541 174.980 175.510 0.018 0.000 1.117 82 N CA 1.719 54.777 53.050 0.013 0.000 0.770 82 N CB -1.071 37.418 38.487 0.003 0.000 1.137 82 N HN 0.737 nan 8.380 nan 0.000 0.566 83 R N -0.668 119.849 120.500 0.028 0.000 2.799 83 R HA 0.600 4.940 4.340 -0.001 0.000 0.270 83 R C -0.343 175.983 176.300 0.043 0.000 1.010 83 R CA -0.802 55.319 56.100 0.036 0.000 0.916 83 R CB 1.536 31.852 30.300 0.028 0.000 1.228 83 R HN 0.005 nan 8.270 nan 0.000 0.469 84 I N 1.768 122.360 120.570 0.037 0.000 2.371 84 I HA 0.174 4.343 4.170 -0.001 0.000 0.290 84 I C -0.176 175.952 176.117 0.018 0.000 1.028 84 I CA -0.080 61.238 61.300 0.031 0.000 1.345 84 I CB 0.752 38.762 38.000 0.017 0.000 1.407 84 I HN 0.342 nan 8.210 nan 0.000 0.501 85 N N 5.971 124.707 118.700 0.060 0.000 2.419 85 N HA 0.458 5.198 4.740 -0.001 0.000 0.277 85 N C -1.157 174.416 175.510 0.104 0.000 1.006 85 N CA -0.524 52.584 53.050 0.096 0.000 0.923 85 N CB 2.610 41.253 38.487 0.261 0.000 1.140 85 N HN 0.207 nan 8.380 nan 0.000 0.488 86 V N 3.533 123.471 119.914 0.040 0.000 2.531 86 V HA 0.434 4.553 4.120 -0.001 0.000 0.301 86 V C -0.270 175.936 176.094 0.187 0.000 1.034 86 V CA -0.673 61.700 62.300 0.120 0.000 0.865 86 V CB 1.563 33.422 31.823 0.060 0.000 0.995 86 V HN 0.526 nan 8.190 nan 0.000 0.424 87 I N 5.217 125.938 120.570 0.251 0.000 2.412 87 I HA 0.430 4.599 4.170 -0.001 0.000 0.296 87 I C -0.272 175.976 176.117 0.217 0.000 0.987 87 I CA -0.160 61.297 61.300 0.260 0.000 1.180 87 I CB 1.712 39.832 38.000 0.200 0.000 1.340 87 I HN 0.381 nan 8.210 nan 0.000 0.455 88 L N 5.468 126.804 121.223 0.189 0.000 2.283 88 L HA 0.539 4.879 4.340 -0.001 0.000 0.281 88 L C -0.153 176.793 176.870 0.127 0.000 1.033 88 L CA -0.119 54.818 54.840 0.161 0.000 0.848 88 L CB 0.919 43.060 42.059 0.136 0.000 1.226 88 L HN 0.579 nan 8.230 nan 0.000 0.429 89 S N 2.374 118.138 115.700 0.108 0.000 2.569 89 S HA 0.531 5.000 4.470 -0.001 0.000 0.280 89 S C 0.141 174.776 174.600 0.058 0.000 1.111 89 S CA -0.635 57.610 58.200 0.075 0.000 0.887 89 S CB 2.026 65.262 63.200 0.060 0.000 1.095 89 S HN 0.691 nan 8.310 nan 0.000 0.476 90 R N 1.107 121.631 120.500 0.041 0.000 2.543 90 R HA 0.248 4.588 4.340 -0.001 0.000 0.323 90 R C 0.043 176.353 176.300 0.018 0.000 1.002 90 R CA 0.098 56.214 56.100 0.027 0.000 1.106 90 R CB 0.531 30.842 30.300 0.019 0.000 1.280 90 R HN 0.545 nan 8.270 nan 0.000 0.549 91 T N -0.129 114.437 114.554 0.021 0.000 3.145 91 T HA 0.200 4.549 4.350 -0.001 0.000 0.281 91 T C -0.767 173.940 174.700 0.011 0.000 1.003 91 T CA -0.002 62.107 62.100 0.014 0.000 0.901 91 T CB 1.017 69.895 68.868 0.017 0.000 1.112 91 T HN -0.014 nan 8.240 nan 0.000 0.535 92 V N -0.017 119.903 119.914 0.011 0.000 2.963 92 V HA 0.613 4.732 4.120 -0.001 0.000 0.272 92 V C -0.796 175.298 176.094 -0.000 0.000 1.559 92 V CA -0.003 62.300 62.300 0.004 0.000 0.959 92 V CB 1.374 33.201 31.823 0.007 0.000 1.202 92 V HN 0.050 nan 8.190 nan 0.000 0.447 93 K N 2.555 122.948 120.400 -0.012 0.000 2.412 93 K HA 0.835 5.155 4.320 -0.001 0.000 0.202 93 K C 0.382 176.961 176.600 -0.035 0.000 1.102 93 K CA 1.216 57.486 56.287 -0.029 0.000 1.027 93 K CB 0.593 33.071 32.500 -0.036 0.000 0.931 93 K HN 1.685 nan 8.250 nan 0.000 0.557 94 E N 0.118 120.305 120.200 -0.021 0.000 2.199 94 E HA 0.667 5.016 4.350 -0.001 0.000 0.265 94 E C -0.945 175.649 176.600 -0.010 0.000 0.882 94 E CA -0.644 55.744 56.400 -0.019 0.000 0.759 94 E CB 1.702 31.392 29.700 -0.018 0.000 1.148 94 E HN 0.362 nan 8.360 nan 0.000 0.412 95 V N 2.469 122.380 119.914 -0.005 0.000 2.925 95 V HA 0.623 4.743 4.120 -0.001 0.000 0.311 95 V C -2.447 173.648 176.094 0.003 0.000 1.104 95 V CA -1.930 60.371 62.300 0.001 0.000 0.954 95 V CB 2.128 33.960 31.823 0.015 0.000 1.022 95 V HN 0.775 nan 8.190 nan 0.000 0.427 96 P HA 0.329 nan 4.420 nan 0.000 0.265 96 P C 0.882 178.190 177.300 0.013 0.000 1.222 96 P CA 1.300 64.401 63.100 0.002 0.000 0.767 96 P CB 0.405 32.103 31.700 -0.003 0.000 0.801 97 G N 1.789 110.598 108.800 0.016 0.000 2.225 97 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.254 97 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.254 97 G C 0.245 175.169 174.900 0.041 0.000 0.988 97 G CA 0.024 45.139 45.100 0.026 0.000 0.625 97 G HN 0.647 nan 8.290 nan 0.000 0.527 98 C N 1.204 120.531 119.300 0.044 0.000 2.470 98 C HA 0.802 5.262 4.460 -0.001 0.000 0.341 98 C C 0.826 175.842 174.990 0.043 0.000 1.190 98 C CA -1.122 57.937 59.018 0.069 0.000 1.904 98 C CB 1.181 28.984 27.740 0.105 0.000 2.354 98 C HN 0.442 nan 8.230 nan 0.000 0.509 99 L N 1.910 123.171 121.223 0.062 0.000 2.350 99 L HA 0.696 5.036 4.340 -0.001 0.000 0.275 99 L C -0.456 176.422 176.870 0.013 0.000 1.099 99 L CA -0.264 54.587 54.840 0.018 0.000 0.808 99 L CB 0.589 42.715 42.059 0.112 0.000 1.149 99 L HN 0.398 nan 8.230 nan 0.000 0.442 100 V N 2.330 122.137 119.914 -0.179 0.000 2.735 100 V HA 0.538 4.657 4.120 -0.001 0.000 0.310 100 V C -1.037 174.836 176.094 -0.370 0.000 1.061 100 V CA -0.727 61.502 62.300 -0.119 0.000 0.913 100 V CB 1.828 33.606 31.823 -0.074 0.000 1.005 100 V HN 0.497 nan 8.190 nan 0.000 0.428 101 Y N 0.375 120.695 120.300 0.033 0.000 2.588 101 Y HA 0.595 5.144 4.550 -0.001 0.000 0.343 101 Y C 0.972 176.890 175.900 0.031 0.000 1.065 101 Y CA -0.296 57.821 58.100 0.027 0.000 1.038 101 Y CB 2.110 40.586 38.460 0.026 0.000 1.297 101 Y HN 0.604 nan 8.280 nan 0.000 0.467 102 E N -0.169 120.143 120.200 0.188 0.000 2.340 102 E HA 0.104 4.454 4.350 -0.001 0.000 0.194 102 E C -0.348 176.318 176.600 0.109 0.000 0.996 102 E CA 1.050 57.518 56.400 0.112 0.000 0.869 102 E CB 0.251 29.993 29.700 0.070 0.000 0.835 102 E HN 0.588 nan 8.360 nan 0.000 0.493 103 D N -1.385 119.094 120.400 0.131 0.000 2.671 103 D HA 0.322 4.962 4.640 -0.001 0.000 0.232 103 D C 0.640 176.986 176.300 0.076 0.000 1.114 103 D CA -0.602 53.452 54.000 0.090 0.000 0.858 103 D CB 2.298 43.129 40.800 0.051 0.000 1.544 103 D HN 0.087 nan 8.370 nan 0.000 0.471 104 L N 2.653 123.935 121.223 0.100 0.000 2.044 104 L HA -0.086 4.254 4.340 -0.001 0.000 0.205 104 L C 2.455 179.375 176.870 0.085 0.000 1.075 104 L CA 2.500 57.396 54.840 0.095 0.000 0.747 104 L CB -1.115 41.045 42.059 0.168 0.000 0.903 104 L HN 0.663 nan 8.230 nan 0.000 0.435 105 S N -1.661 114.114 115.700 0.126 0.000 2.368 105 S HA -0.333 4.137 4.470 -0.001 0.000 0.226 105 S C 2.146 176.722 174.600 -0.041 0.000 1.044 105 S CA 2.749 60.943 58.200 -0.011 0.000 1.062 105 S CB -1.344 61.702 63.200 -0.256 0.000 0.931 105 S HN 0.517 nan 8.310 nan 0.000 0.440 106 T N 0.565 115.098 114.554 -0.035 0.000 2.777 106 T HA 0.172 4.522 4.350 -0.001 0.000 0.266 106 T C 2.131 176.729 174.700 -0.170 0.000 1.040 106 T CA 1.835 63.923 62.100 -0.019 0.000 1.141 106 T CB -0.560 68.362 68.868 0.090 0.000 0.868 106 T HN 0.588 nan 8.240 nan 0.000 0.444 107 A N 1.419 124.007 122.820 -0.387 0.000 1.898 107 A HA 0.030 4.350 4.320 -0.001 0.000 0.216 107 A C 2.195 179.427 177.584 -0.587 0.000 1.181 107 A CA 1.200 52.603 52.037 -1.056 0.000 0.620 107 A CB -0.517 17.976 19.000 -0.845 0.000 0.819 107 A HN 0.515 nan 8.150 nan 0.000 0.442 108 I N -0.463 119.946 120.570 -0.269 0.000 2.233 108 I HA -0.140 4.030 4.170 -0.001 0.000 0.243 108 I C 2.524 178.591 176.117 -0.085 0.000 1.093 108 I CA 1.346 62.561 61.300 -0.142 0.000 1.380 108 I CB -1.467 36.508 38.000 -0.041 0.000 1.067 108 I HN 0.298 nan 8.210 nan 0.000 0.413 109 R N 0.693 121.157 120.500 -0.061 0.000 2.091 109 R HA -0.235 4.105 4.340 -0.001 0.000 0.238 109 R C 2.025 178.320 176.300 -0.008 0.000 1.136 109 R CA 2.096 58.184 56.100 -0.020 0.000 0.959 109 R CB -0.368 29.924 30.300 -0.013 0.000 0.856 109 R HN 0.385 nan 8.270 nan 0.000 0.437 110 D N 0.022 120.403 120.400 -0.032 0.000 2.091 110 D HA -0.091 4.548 4.640 -0.001 0.000 0.199 110 D C 1.765 178.095 176.300 0.051 0.000 0.980 110 D CA 0.942 54.968 54.000 0.044 0.000 0.831 110 D CB 0.069 40.970 40.800 0.169 0.000 0.987 110 D HN 0.069 nan 8.370 nan 0.000 0.460 111 L N -0.074 121.137 121.223 -0.019 0.000 2.042 111 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 111 L C 2.627 179.586 176.870 0.149 0.000 1.076 111 L CA 1.173 56.017 54.840 0.007 0.000 0.749 111 L CB -0.305 41.644 42.059 -0.184 0.000 0.893 111 L HN 0.006 nan 8.230 nan 0.000 0.432 112 R N -0.736 119.850 120.500 0.143 0.000 2.235 112 R HA -0.017 4.323 4.340 -0.001 0.000 0.213 112 R C 2.138 178.493 176.300 0.091 0.000 1.059 112 R CA 0.858 57.071 56.100 0.188 0.000 0.997 112 R CB -0.142 30.227 30.300 0.115 0.000 0.884 112 R HN 0.367 nan 8.270 nan 0.000 0.462 113 A N 0.674 123.537 122.820 0.071 0.000 1.920 113 A HA 0.037 4.357 4.320 -0.001 0.000 0.209 113 A C 1.426 179.043 177.584 0.054 0.000 1.229 113 A CA 0.583 52.650 52.037 0.049 0.000 0.671 113 A CB 0.218 19.242 19.000 0.040 0.000 0.886 113 A HN 0.164 nan 8.150 nan 0.000 0.461 114 N N -0.865 117.879 118.700 0.073 0.000 2.257 114 N HA 0.152 4.891 4.740 -0.001 0.000 0.200 114 N C -0.562 174.998 175.510 0.083 0.000 1.163 114 N CA 0.413 53.504 53.050 0.069 0.000 0.891 114 N CB 1.381 39.908 38.487 0.068 0.000 1.067 114 N HN 0.153 nan 8.380 nan 0.000 0.497 115 V N 4.429 124.415 119.914 0.119 0.000 2.293 115 V HA 0.307 4.426 4.120 -0.001 0.000 0.275 115 V C -2.319 173.905 176.094 0.217 0.000 1.021 115 V CA -1.680 60.702 62.300 0.137 0.000 0.815 115 V CB 1.591 33.485 31.823 0.118 0.000 1.025 115 V HN -0.059 nan 8.190 nan 0.000 0.448 116 P HA 0.196 nan 4.420 nan 0.000 0.266 116 P C -0.619 176.758 177.300 0.127 0.000 1.215 116 P CA 0.594 63.740 63.100 0.076 0.000 0.763 116 P CB 0.291 32.008 31.700 0.028 0.000 0.806 117 H N 1.318 120.386 119.070 -0.004 0.000 2.990 117 H HA 0.294 4.850 4.556 -0.001 0.000 0.336 117 H C -0.147 175.170 175.328 -0.019 0.000 1.306 117 H CA -0.693 55.351 56.048 -0.008 0.000 1.118 117 H CB 0.578 30.336 29.762 -0.007 0.000 1.856 117 H HN 0.170 nan 8.280 nan 0.000 0.538 118 N N 0.263 118.980 118.700 0.029 0.000 2.187 118 N HA 0.026 4.766 4.740 -0.001 0.000 0.190 118 N C -0.180 175.337 175.510 0.011 0.000 1.052 118 N CA 1.001 54.030 53.050 -0.036 0.000 0.863 118 N CB 0.505 38.990 38.487 -0.004 0.000 1.041 118 N HN 0.566 nan 8.380 nan 0.000 0.447 119 K N -0.358 120.106 120.400 0.106 0.000 2.477 119 K HA 0.427 4.747 4.320 -0.001 0.000 0.255 119 K C -1.430 175.082 176.600 -0.146 0.000 0.952 119 K CA -0.629 55.632 56.287 -0.043 0.000 0.826 119 K CB 1.491 33.860 32.500 -0.219 0.000 1.331 119 K HN 0.127 nan 8.250 nan 0.000 0.437 120 I N 3.532 123.940 120.570 -0.270 0.000 2.354 120 I HA 0.320 4.489 4.170 -0.001 0.000 0.292 120 I C -0.853 175.007 176.117 -0.428 0.000 0.989 120 I CA -0.716 60.421 61.300 -0.272 0.000 1.188 120 I CB 0.748 38.655 38.000 -0.155 0.000 1.342 120 I HN 0.394 nan 8.210 nan 0.000 0.457 121 F N 5.959 125.934 119.950 0.041 0.000 2.507 121 F HA 0.523 5.050 4.527 -0.001 0.000 0.327 121 F C 0.063 175.896 175.800 0.055 0.000 1.068 121 F CA -0.880 57.184 58.000 0.107 0.000 0.965 121 F CB 1.428 40.497 39.000 0.115 0.000 1.192 121 F HN 0.111 nan 8.300 nan 0.000 0.476 122 I N 4.017 124.795 120.570 0.346 0.000 2.354 122 I HA 0.225 4.394 4.170 -0.001 0.000 0.286 122 I C 0.222 176.543 176.117 0.340 0.000 1.007 122 I CA -0.086 61.358 61.300 0.241 0.000 1.167 122 I CB 1.251 39.415 38.000 0.274 0.000 1.320 122 I HN 0.694 nan 8.210 nan 0.000 0.458 123 L N 5.063 126.396 121.223 0.184 0.000 2.640 123 L HA 0.408 4.748 4.340 -0.001 0.000 0.230 123 L C 0.982 178.004 176.870 0.253 0.000 1.123 123 L CA 0.086 55.108 54.840 0.303 0.000 0.900 123 L CB 0.355 42.589 42.059 0.292 0.000 1.146 123 L HN 0.888 nan 8.230 nan 0.000 0.484 124 G N -0.578 108.144 108.800 -0.130 0.000 2.280 124 G HA2 0.290 4.250 3.960 -0.001 0.000 0.277 124 G HA3 0.290 4.250 3.960 -0.001 0.000 0.277 124 G C -0.232 174.453 174.900 -0.359 0.000 1.288 124 G CA -0.253 44.452 45.100 -0.658 0.000 1.075 124 G HN 0.433 nan 8.290 nan 0.000 0.480 125 G N -1.804 106.850 108.800 -0.244 0.000 3.172 125 G HA2 0.289 4.249 3.960 -0.001 0.000 0.686 125 G HA3 0.289 4.249 3.960 -0.001 0.000 0.686 125 G C 0.902 175.670 174.900 -0.220 0.000 1.009 125 G CA 0.583 45.586 45.100 -0.161 0.000 0.787 125 G HN 1.924 nan 8.290 nan 0.000 0.559 126 S N 1.485 117.110 115.700 -0.125 0.000 2.383 126 S HA -0.119 4.351 4.470 -0.001 0.000 0.229 126 S C 2.065 176.623 174.600 -0.071 0.000 1.030 126 S CA 2.305 60.473 58.200 -0.053 0.000 1.002 126 S CB -0.256 62.811 63.200 -0.221 0.000 0.829 126 S HN 0.566 nan 8.310 nan 0.000 0.467 127 F N 0.931 120.909 119.950 0.047 0.000 2.186 127 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 127 F C 2.018 177.823 175.800 0.010 0.000 1.090 127 F CA -0.134 57.883 58.000 0.029 0.000 1.307 127 F CB -1.074 37.944 39.000 0.030 0.000 1.019 127 F HN 0.142 nan 8.300 nan 0.000 0.489 128 L N -0.770 120.527 121.223 0.122 0.000 2.017 128 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 128 L C 2.234 179.132 176.870 0.047 0.000 1.073 128 L CA 1.895 56.751 54.840 0.026 0.000 0.745 128 L CB -1.168 40.834 42.059 -0.095 0.000 0.894 128 L HN 0.071 nan 8.230 nan 0.000 0.432 129 Y N 0.304 120.647 120.300 0.073 0.000 2.181 129 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 129 Y C 2.707 178.550 175.900 -0.095 0.000 1.146 129 Y CA 1.821 59.920 58.100 -0.000 0.000 1.164 129 Y CB -1.395 37.042 38.460 -0.038 0.000 0.982 129 Y HN 0.256 nan 8.280 nan 0.000 0.515 130 K N 0.639 121.096 120.400 0.095 0.000 2.057 130 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 130 K C 2.018 178.634 176.600 0.027 0.000 1.050 130 K CA 1.689 57.993 56.287 0.028 0.000 0.935 130 K CB -0.938 31.614 32.500 0.088 0.000 0.715 130 K HN 0.564 nan 8.250 nan 0.000 0.439 131 E N 0.111 120.344 120.200 0.055 0.000 2.072 131 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 131 E C 2.023 178.574 176.600 -0.081 0.000 0.985 131 E CA 1.144 57.542 56.400 -0.004 0.000 0.801 131 E CB -0.053 29.670 29.700 0.038 0.000 0.750 131 E HN 0.263 nan 8.360 nan 0.000 0.452 132 V N 1.239 121.143 119.914 -0.016 0.000 2.343 132 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 132 V C 2.406 178.490 176.094 -0.016 0.000 1.051 132 V CA 1.438 63.729 62.300 -0.015 0.000 1.036 132 V CB -0.377 31.498 31.823 0.087 0.000 0.654 132 V HN 0.322 nan 8.190 nan 0.000 0.451 133 L N -0.396 120.821 121.223 -0.009 0.000 2.072 133 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 133 L C 2.305 179.167 176.870 -0.013 0.000 1.079 133 L CA 1.422 56.251 54.840 -0.017 0.000 0.752 133 L CB -0.663 41.330 42.059 -0.111 0.000 0.906 133 L HN 0.300 nan 8.230 nan 0.000 0.436 134 D N -0.030 120.346 120.400 -0.041 0.000 2.178 134 D HA -0.127 4.513 4.640 -0.001 0.000 0.201 134 D C 1.292 177.564 176.300 -0.047 0.000 0.980 134 D CA 0.983 54.963 54.000 -0.033 0.000 0.842 134 D CB -0.171 40.614 40.800 -0.025 0.000 0.948 134 D HN 0.246 nan 8.370 nan 0.000 0.472 135 N N -0.224 118.405 118.700 -0.119 0.000 2.279 135 N HA 0.165 4.904 4.740 -0.001 0.000 0.226 135 N C 0.803 176.259 175.510 -0.090 0.000 1.126 135 N CA 0.419 53.377 53.050 -0.155 0.000 0.846 135 N CB 0.912 39.120 38.487 -0.466 0.000 1.050 135 N HN 0.094 nan 8.380 nan 0.000 0.502 136 G N 1.091 109.878 108.800 -0.022 0.000 2.283 136 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.280 136 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.280 136 G C 0.675 175.588 174.900 0.022 0.000 1.029 136 G CA 0.221 45.336 45.100 0.026 0.000 0.840 136 G HN 0.428 nan 8.290 nan 0.000 0.505 137 L N -1.244 119.981 121.223 0.004 0.000 2.592 137 L HA 0.255 4.595 4.340 -0.001 0.000 0.227 137 L C 1.572 178.485 176.870 0.071 0.000 1.127 137 L CA -0.038 54.807 54.840 0.008 0.000 0.884 137 L CB 0.283 42.306 42.059 -0.058 0.000 1.065 137 L HN 0.462 nan 8.230 nan 0.000 0.457 138 C N 0.247 119.634 119.300 0.145 0.000 2.303 138 C HA 0.349 4.809 4.460 -0.001 0.000 0.326 138 C C 1.064 176.220 174.990 0.276 0.000 1.285 138 C CA -0.481 58.671 59.018 0.223 0.000 1.675 138 C CB 0.803 28.703 27.740 0.267 0.000 2.289 138 C HN 0.283 nan 8.230 nan 0.000 0.512 139 D N 2.143 122.665 120.400 0.202 0.000 2.379 139 D HA 0.199 4.839 4.640 -0.001 0.000 0.208 139 D C 0.050 176.474 176.300 0.208 0.000 1.065 139 D CA 0.832 54.911 54.000 0.132 0.000 0.848 139 D CB 0.300 41.138 40.800 0.065 0.000 0.949 139 D HN 0.612 nan 8.370 nan 0.000 0.509 140 K N 0.454 121.032 120.400 0.297 0.000 2.570 140 K HA 0.397 4.716 4.320 -0.001 0.000 0.256 140 K C -1.758 174.950 176.600 0.180 0.000 0.939 140 K CA -0.456 55.961 56.287 0.216 0.000 0.833 140 K CB 1.676 34.257 32.500 0.135 0.000 1.318 140 K HN -0.198 nan 8.250 nan 0.000 0.433 141 I N 3.878 124.496 120.570 0.080 0.000 2.439 141 I HA 0.287 4.456 4.170 -0.001 0.000 0.285 141 I C -1.122 174.923 176.117 -0.120 0.000 1.021 141 I CA -0.858 60.446 61.300 0.007 0.000 1.091 141 I CB 1.151 39.112 38.000 -0.064 0.000 1.242 141 I HN 0.467 nan 8.210 nan 0.000 0.439 142 Y N 6.772 126.902 120.300 -0.283 0.000 2.535 142 Y HA 0.469 5.018 4.550 -0.001 0.000 0.349 142 Y C -0.159 175.644 175.900 -0.162 0.000 0.992 142 Y CA -0.386 57.522 58.100 -0.321 0.000 1.248 142 Y CB 0.919 38.788 38.460 -0.986 0.000 1.124 142 Y HN 0.442 nan 8.280 nan 0.000 0.520 143 L N 3.461 124.728 121.223 0.073 0.000 2.325 143 L HA 0.524 4.864 4.340 -0.001 0.000 0.281 143 L C -0.291 176.598 176.870 0.032 0.000 1.004 143 L CA -0.357 54.479 54.840 -0.007 0.000 0.823 143 L CB 1.132 43.168 42.059 -0.039 0.000 1.236 143 L HN 0.446 nan 8.230 nan 0.000 0.415 144 T N 5.145 119.705 114.554 0.010 0.000 2.738 144 T HA 0.288 4.638 4.350 -0.001 0.000 0.293 144 T C 0.075 174.685 174.700 -0.149 0.000 0.913 144 T CA -0.196 61.861 62.100 -0.072 0.000 1.103 144 T CB -0.086 68.737 68.868 -0.076 0.000 0.880 144 T HN 0.504 nan 8.240 nan 0.000 0.526 145 R N 3.040 123.451 120.500 -0.148 0.000 2.221 145 R HA 0.416 4.756 4.340 -0.001 0.000 0.327 145 R C -0.887 175.326 176.300 -0.144 0.000 1.033 145 R CA -0.807 55.221 56.100 -0.120 0.000 0.887 145 R CB 0.612 30.878 30.300 -0.057 0.000 1.057 145 R HN 0.344 nan 8.270 nan 0.000 0.455 146 L N 2.909 124.017 121.223 -0.192 0.000 2.296 146 L HA 0.248 4.588 4.340 -0.001 0.000 0.286 146 L C 0.575 177.387 176.870 -0.096 0.000 1.023 146 L CA -0.246 54.478 54.840 -0.193 0.000 0.812 146 L CB 1.483 43.275 42.059 -0.444 0.000 1.223 146 L HN 0.444 nan 8.230 nan 0.000 0.421 147 N N 2.466 121.138 118.700 -0.045 0.000 2.416 147 N HA 0.075 4.815 4.740 -0.001 0.000 0.215 147 N C -0.390 175.093 175.510 -0.044 0.000 1.208 147 N CA 0.300 53.324 53.050 -0.043 0.000 0.834 147 N CB -0.052 38.425 38.487 -0.017 0.000 1.072 147 N HN 0.425 nan 8.380 nan 0.000 0.472 148 K N 0.324 120.701 120.400 -0.039 0.000 2.464 148 K HA 0.247 4.567 4.320 -0.001 0.000 0.253 148 K C -0.911 175.629 176.600 -0.099 0.000 0.933 148 K CA -0.517 55.708 56.287 -0.103 0.000 0.801 148 K CB 1.957 34.359 32.500 -0.163 0.000 1.271 148 K HN 0.045 nan 8.250 nan 0.000 0.430 149 E N 2.141 122.249 120.200 -0.153 0.000 2.316 149 E HA 0.111 4.460 4.350 -0.001 0.000 0.275 149 E C -1.163 175.306 176.600 -0.218 0.000 1.029 149 E CA 0.053 56.399 56.400 -0.089 0.000 0.871 149 E CB 0.675 30.335 29.700 -0.067 0.000 1.022 149 E HN 0.304 nan 8.360 nan 0.000 0.418 150 Y N 2.073 122.403 120.300 0.050 0.000 2.446 150 Y HA 0.267 4.817 4.550 -0.001 0.000 0.345 150 Y C -2.046 173.828 175.900 -0.043 0.000 0.984 150 Y CA -2.650 55.482 58.100 0.054 0.000 1.058 150 Y CB 1.526 40.114 38.460 0.212 0.000 1.220 150 Y HN 0.443 nan 8.280 nan 0.000 0.455 151 P HA 0.235 nan 4.420 nan 0.000 0.266 151 P C -0.181 176.922 177.300 -0.330 0.000 1.193 151 P CA 0.263 63.247 63.100 -0.192 0.000 0.770 151 P CB 0.643 32.141 31.700 -0.336 0.000 0.836 152 G N 1.129 109.781 108.800 -0.246 0.000 2.506 152 G HA2 0.451 4.411 3.960 -0.001 0.000 0.292 152 G HA3 0.451 4.411 3.960 -0.001 0.000 0.292 152 G C -1.182 173.756 174.900 0.062 0.000 1.425 152 G CA -0.601 44.443 45.100 -0.095 0.000 0.788 152 G HN 0.453 nan 8.290 nan 0.000 0.490 153 D N -2.040 118.419 120.400 0.099 0.000 2.525 153 D HA 0.261 4.900 4.640 -0.001 0.000 0.231 153 D C 0.426 176.827 176.300 0.170 0.000 1.216 153 D CA 0.157 54.265 54.000 0.180 0.000 0.813 153 D CB 1.053 41.951 40.800 0.164 0.000 1.108 153 D HN 0.401 nan 8.370 nan 0.000 0.524 154 T N -0.087 114.464 114.554 -0.005 0.000 2.886 154 T HA 0.530 4.879 4.350 -0.001 0.000 0.292 154 T C -1.469 173.201 174.700 -0.050 0.000 1.012 154 T CA -0.428 61.704 62.100 0.053 0.000 0.982 154 T CB 1.496 70.364 68.868 -0.001 0.000 1.018 154 T HN -0.017 nan 8.240 nan 0.000 0.451 155 Y N 0.619 120.959 120.300 0.067 0.000 2.553 155 Y HA 0.603 5.152 4.550 -0.001 0.000 0.347 155 Y C -0.592 175.401 175.900 0.154 0.000 1.019 155 Y CA -1.402 56.768 58.100 0.116 0.000 1.032 155 Y CB 1.586 40.091 38.460 0.075 0.000 1.284 155 Y HN 0.638 nan 8.280 nan 0.000 0.466 156 F N 5.137 125.195 119.950 0.180 0.000 2.410 156 F HA 0.507 5.034 4.527 -0.001 0.000 0.348 156 F C -2.247 173.579 175.800 0.044 0.000 1.106 156 F CA -2.828 55.209 58.000 0.062 0.000 1.163 156 F CB 0.705 39.669 39.000 -0.058 0.000 1.129 156 F HN 0.215 nan 8.300 nan 0.000 0.516 157 P HA 0.061 nan 4.420 nan 0.000 0.269 157 P C -1.026 176.055 177.300 -0.365 0.000 1.215 157 P CA -0.193 62.683 63.100 -0.373 0.000 0.780 157 P CB 0.469 31.940 31.700 -0.381 0.000 0.898 158 D N 0.904 121.202 120.400 -0.170 0.000 2.506 158 D HA 0.022 4.662 4.640 -0.001 0.000 0.234 158 D C 0.439 176.626 176.300 -0.188 0.000 1.143 158 D CA 0.555 54.486 54.000 -0.114 0.000 0.871 158 D CB 0.129 40.893 40.800 -0.060 0.000 1.190 158 D HN 0.219 nan 8.370 nan 0.000 0.459 159 I N 4.016 124.477 120.570 -0.181 0.000 2.352 159 I HA 0.129 4.299 4.170 -0.001 0.000 0.290 159 I C -1.705 174.350 176.117 -0.104 0.000 1.036 159 I CA -1.763 59.369 61.300 -0.280 0.000 1.336 159 I CB 0.689 38.389 38.000 -0.501 0.000 1.407 159 I HN 0.093 nan 8.210 nan 0.000 0.497 160 P HA 0.060 nan 4.420 nan 0.000 0.269 160 P C -0.125 177.280 177.300 0.176 0.000 1.209 160 P CA -0.217 62.940 63.100 0.095 0.000 0.776 160 P CB 0.637 32.424 31.700 0.145 0.000 0.876 161 D N -0.029 120.443 120.400 0.120 0.000 2.417 161 D HA -0.104 4.536 4.640 -0.001 0.000 0.225 161 D C 1.488 177.866 176.300 0.129 0.000 0.983 161 D CA 1.181 55.253 54.000 0.119 0.000 0.949 161 D CB -0.505 40.340 40.800 0.074 0.000 0.879 161 D HN 0.353 nan 8.370 nan 0.000 0.520 162 T N -1.241 113.408 114.554 0.158 0.000 3.113 162 T HA 0.057 4.406 4.350 -0.001 0.000 0.256 162 T C 0.213 174.884 174.700 -0.048 0.000 1.131 162 T CA 0.053 62.180 62.100 0.045 0.000 1.074 162 T CB -0.024 68.848 68.868 0.006 0.000 0.944 162 T HN -0.070 nan 8.240 nan 0.000 0.516 163 F N 1.760 121.747 119.950 0.062 0.000 2.507 163 F HA 0.526 5.052 4.527 -0.001 0.000 0.327 163 F C 0.328 176.229 175.800 0.168 0.000 1.068 163 F CA -1.167 56.904 58.000 0.118 0.000 0.965 163 F CB 1.551 40.636 39.000 0.142 0.000 1.192 163 F HN 0.118 nan 8.300 nan 0.000 0.476 164 E N 1.083 121.484 120.200 0.335 0.000 2.393 164 E HA 0.558 4.908 4.350 -0.001 0.000 0.273 164 E C -1.488 175.152 176.600 0.067 0.000 0.918 164 E CA -0.952 55.573 56.400 0.208 0.000 0.773 164 E CB 2.177 31.927 29.700 0.083 0.000 1.275 164 E HN 0.480 nan 8.360 nan 0.000 0.451 165 I N 2.105 122.571 120.570 -0.174 0.000 2.471 165 I HA 0.050 4.220 4.170 -0.001 0.000 0.286 165 I C 1.018 177.042 176.117 -0.155 0.000 1.079 165 I CA 0.149 61.231 61.300 -0.364 0.000 1.398 165 I CB 1.027 38.751 38.000 -0.459 0.000 1.403 165 I HN 0.803 nan 8.210 nan 0.000 0.530 166 T N 1.746 116.222 114.554 -0.129 0.000 2.985 166 T HA 0.550 4.900 4.350 -0.001 0.000 0.254 166 T C 0.288 174.942 174.700 -0.077 0.000 1.021 166 T CA -0.101 61.949 62.100 -0.083 0.000 0.957 166 T CB 0.474 69.305 68.868 -0.060 0.000 1.047 166 T HN 0.607 nan 8.240 nan 0.000 0.511 167 A N 1.008 123.784 122.820 -0.075 0.000 2.547 167 A HA 0.775 5.095 4.320 -0.001 0.000 0.297 167 A C -1.489 176.107 177.584 0.020 0.000 1.056 167 A CA -0.932 51.093 52.037 -0.020 0.000 0.688 167 A CB 1.225 20.224 19.000 -0.003 0.000 1.282 167 A HN 0.420 nan 8.150 nan 0.000 0.400 168 I N 1.930 122.556 120.570 0.093 0.000 2.607 168 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 168 I C 0.549 176.758 176.117 0.154 0.000 1.129 168 I CA -0.604 60.774 61.300 0.130 0.000 1.042 168 I CB 2.420 40.543 38.000 0.205 0.000 1.242 168 I HN 0.787 nan 8.210 nan 0.000 0.421 169 S N 5.545 121.332 115.700 0.145 0.000 2.686 169 S HA 0.604 5.074 4.470 -0.001 0.000 0.270 169 S C -2.642 171.940 174.600 -0.029 0.000 1.194 169 S CA -1.211 57.096 58.200 0.178 0.000 0.990 169 S CB 0.869 64.326 63.200 0.428 0.000 1.029 169 S HN 0.278 nan 8.310 nan 0.000 0.560 170 P HA 0.174 nan 4.420 nan 0.000 0.269 170 P C -0.478 176.347 177.300 -0.791 0.000 1.217 170 P CA -0.074 62.734 63.100 -0.487 0.000 0.783 170 P CB -0.035 31.308 31.700 -0.595 0.000 0.898 171 T N 2.587 116.648 114.554 -0.821 0.000 2.870 171 T HA 0.305 4.654 4.350 -0.001 0.000 0.300 171 T C -0.021 174.145 174.700 -0.890 0.000 0.989 171 T CA 0.552 62.220 62.100 -0.720 0.000 1.139 171 T CB -0.439 68.153 68.868 -0.460 0.000 0.920 171 T HN 0.121 nan 8.240 nan 0.000 0.537 172 F N 0.728 120.310 119.950 -0.613 0.000 2.639 172 F HA 0.730 5.257 4.527 -0.000 0.000 0.339 172 F C 0.620 176.006 175.800 -0.691 0.000 1.071 172 F CA -0.879 56.739 58.000 -0.636 0.000 0.994 172 F CB 1.826 40.392 39.000 -0.724 0.000 1.341 172 F HN 0.615 nan 8.300 nan 0.000 0.498 173 S N -1.174 114.452 115.700 -0.124 0.000 2.547 173 S HA 0.725 5.194 4.470 -0.001 0.000 0.270 173 S C -0.853 173.799 174.600 0.086 0.000 1.150 173 S CA -0.647 57.553 58.200 0.001 0.000 0.850 173 S CB 1.497 64.680 63.200 -0.028 0.000 1.118 173 S HN 0.855 nan 8.310 nan 0.000 0.461 174 T N -1.440 113.082 114.554 -0.054 0.000 2.844 174 T HA 0.571 4.920 4.350 -0.001 0.000 0.274 174 T C -0.155 174.402 174.700 -0.238 0.000 0.991 174 T CA -0.451 61.505 62.100 -0.241 0.000 0.983 174 T CB 0.318 68.744 68.868 -0.737 0.000 1.310 174 T HN 0.387 nan 8.240 nan 0.000 0.596 175 D N -0.231 120.063 120.400 -0.177 0.000 2.350 175 D HA 0.095 4.735 4.640 -0.001 0.000 0.216 175 D C 1.030 177.379 176.300 0.080 0.000 0.968 175 D CA 0.901 54.908 54.000 0.011 0.000 0.894 175 D CB -0.296 40.586 40.800 0.137 0.000 0.909 175 D HN 0.639 nan 8.370 nan 0.000 0.520 176 F N -2.100 117.918 119.950 0.114 0.000 2.789 176 F HA 0.424 4.951 4.527 -0.000 0.000 0.320 176 F C 0.139 176.018 175.800 0.132 0.000 1.079 176 F CA -0.615 57.458 58.000 0.122 0.000 1.205 176 F CB 0.601 39.694 39.000 0.156 0.000 1.046 176 F HN -0.205 nan 8.300 nan 0.000 0.586 177 V N 0.743 120.583 119.914 -0.123 0.000 3.147 177 V HA 0.648 4.768 4.120 -0.001 0.000 0.299 177 V C -1.005 175.111 176.094 0.035 0.000 1.302 177 V CA -0.395 61.933 62.300 0.048 0.000 1.015 177 V CB 2.324 34.262 31.823 0.192 0.000 1.086 177 V HN 0.427 nan 8.190 nan 0.000 0.437 178 S N 4.475 120.215 115.700 0.066 0.000 2.608 178 S HA 0.960 5.429 4.470 -0.001 0.000 0.291 178 S C -0.913 173.731 174.600 0.074 0.000 1.146 178 S CA -0.306 57.916 58.200 0.036 0.000 1.043 178 S CB 1.689 64.883 63.200 -0.009 0.000 1.037 178 S HN 1.694 nan 8.310 nan 0.000 0.520 179 Y N -1.434 118.780 120.300 -0.143 0.000 2.677 179 Y HA 0.743 5.292 4.550 -0.000 0.000 0.334 179 Y C -1.600 174.115 175.900 -0.308 0.000 1.196 179 Y CA -1.089 56.865 58.100 -0.242 0.000 1.059 179 Y CB 0.549 38.819 38.460 -0.317 0.000 1.315 179 Y HN 0.808 nan 8.280 nan 0.000 0.455 180 D N 0.203 120.414 120.400 -0.316 0.000 2.759 180 D HA 0.519 5.159 4.640 -0.001 0.000 0.321 180 D C -1.813 174.103 176.300 -0.641 0.000 1.267 180 D CA -0.703 52.981 54.000 -0.527 0.000 0.933 180 D CB 1.261 41.855 40.800 -0.344 0.000 1.431 180 D HN 0.366 nan 8.370 nan 0.000 0.504 181 F N -0.223 119.656 119.950 -0.119 0.000 2.469 181 F HA 0.614 5.141 4.527 -0.001 0.000 0.332 181 F C 0.404 176.153 175.800 -0.085 0.000 1.103 181 F CA -1.008 56.852 58.000 -0.234 0.000 0.979 181 F CB 2.096 40.752 39.000 -0.572 0.000 1.137 181 F HN 0.391 nan 8.300 nan 0.000 0.463 182 V N 0.479 120.455 119.914 0.103 0.000 3.074 182 V HA 0.722 4.841 4.120 -0.001 0.000 0.314 182 V C -0.792 175.301 176.094 -0.002 0.000 1.117 182 V CA -1.077 61.234 62.300 0.018 0.000 1.014 182 V CB 2.399 34.157 31.823 -0.107 0.000 1.057 182 V HN 0.661 nan 8.190 nan 0.000 0.438 183 I N 1.850 122.351 120.570 -0.114 0.000 2.436 183 I HA 0.494 4.664 4.170 -0.001 0.000 0.289 183 I C -1.291 174.730 176.117 -0.160 0.000 1.010 183 I CA -0.459 60.715 61.300 -0.211 0.000 1.098 183 I CB 1.876 39.688 38.000 -0.313 0.000 1.266 183 I HN 0.647 nan 8.210 nan 0.000 0.434 184 Y N 4.376 124.630 120.300 -0.077 0.000 2.361 184 Y HA 0.474 5.023 4.550 -0.000 0.000 0.332 184 Y C 0.203 176.207 175.900 0.173 0.000 1.101 184 Y CA -0.339 57.807 58.100 0.077 0.000 1.137 184 Y CB 1.473 39.990 38.460 0.096 0.000 1.207 184 Y HN 0.495 nan 8.280 nan 0.000 0.463 185 E N 1.678 122.073 120.200 0.326 0.000 2.369 185 E HA 0.446 4.796 4.350 -0.001 0.000 0.270 185 E C -1.067 175.507 176.600 -0.044 0.000 0.909 185 E CA -1.323 55.175 56.400 0.164 0.000 0.775 185 E CB 1.964 31.683 29.700 0.031 0.000 1.270 185 E HN 0.484 nan 8.360 nan 0.000 0.445 186 R N 1.899 122.183 120.500 -0.359 0.000 2.491 186 R HA 0.285 4.625 4.340 -0.001 0.000 0.283 186 R C -0.379 175.771 176.300 -0.250 0.000 1.072 186 R CA 0.440 56.196 56.100 -0.574 0.000 1.048 186 R CB 0.356 30.303 30.300 -0.589 0.000 0.983 186 R HN 0.495 nan 8.270 nan 0.000 0.450 197 P HA 0.010 nan 4.420 nan 0.000 0.264 197 P C 0.766 178.126 177.300 0.100 0.000 1.179 197 P CA -0.269 62.875 63.100 0.073 0.000 0.763 197 P CB 0.504 32.231 31.700 0.046 0.000 0.806 198 F N 2.553 122.500 119.950 -0.006 0.000 2.126 198 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 198 F C 1.628 177.424 175.800 -0.007 0.000 1.096 198 F CA 1.840 59.836 58.000 -0.007 0.000 1.255 198 F CB -0.246 38.750 39.000 -0.006 0.000 0.997 198 F HN 0.266 nan 8.300 nan 0.000 0.479 199 D N -0.052 120.305 120.400 -0.071 0.000 2.221 199 D HA -0.194 4.446 4.640 -0.001 0.000 0.204 199 D C 2.180 178.375 176.300 -0.176 0.000 0.982 199 D CA 1.201 55.107 54.000 -0.158 0.000 0.857 199 D CB -0.392 40.392 40.800 -0.028 0.000 0.934 199 D HN 0.513 nan 8.370 nan 0.000 0.475 200 Q N -0.328 119.400 119.800 -0.120 0.000 2.224 200 Q HA -0.015 4.324 4.340 -0.001 0.000 0.203 200 Q C 2.304 178.220 176.000 -0.140 0.000 0.970 200 Q CA 0.571 56.313 55.803 -0.101 0.000 0.865 200 Q CB 0.159 28.863 28.738 -0.055 0.000 0.922 200 Q HN 0.352 nan 8.270 nan 0.000 0.445 201 L N -0.413 120.684 121.223 -0.210 0.000 2.102 201 L HA -0.103 4.237 4.340 -0.001 0.000 0.202 201 L C 2.253 178.938 176.870 -0.308 0.000 1.076 201 L CA 0.311 55.015 54.840 -0.227 0.000 0.761 201 L CB -0.416 41.517 42.059 -0.210 0.000 0.921 201 L HN 0.223 nan 8.230 nan 0.000 0.444 202 L N -0.002 120.901 121.223 -0.533 0.000 2.046 202 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 202 L C 2.264 178.993 176.870 -0.235 0.000 1.077 202 L CA 1.777 56.337 54.840 -0.466 0.000 0.747 202 L CB -0.357 41.306 42.059 -0.659 0.000 0.896 202 L HN 0.190 nan 8.230 nan 0.000 0.432 203 M N -0.549 118.932 119.600 -0.198 0.000 2.682 203 M HA 0.021 4.501 4.480 -0.001 0.000 0.235 203 M C 1.860 178.103 176.300 -0.095 0.000 1.114 203 M CA 1.040 56.269 55.300 -0.119 0.000 1.053 203 M CB -1.916 30.628 32.600 -0.095 0.000 1.599 203 M HN 0.522 nan 8.290 nan 0.000 0.520 204 T N -3.251 111.240 114.554 -0.105 0.000 3.023 204 T HA 0.191 4.541 4.350 -0.001 0.000 0.266 204 T C 1.722 176.380 174.700 -0.069 0.000 1.093 204 T CA 1.150 63.202 62.100 -0.080 0.000 1.129 204 T CB -0.129 68.691 68.868 -0.080 0.000 0.899 204 T HN 0.540 nan 8.240 nan 0.000 0.491 205 G N 1.292 110.047 108.800 -0.074 0.000 2.205 205 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.261 205 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.261 205 G C 0.398 175.268 174.900 -0.050 0.000 0.980 205 G CA 0.750 45.816 45.100 -0.057 0.000 0.632 205 G HN 1.174 nan 8.290 nan 0.000 0.533 206 T N -2.587 111.934 114.554 -0.055 0.000 2.922 206 T HA 0.656 5.006 4.350 -0.001 0.000 0.281 206 T C 0.275 174.951 174.700 -0.040 0.000 1.005 206 T CA 0.748 62.822 62.100 -0.044 0.000 0.982 206 T CB 1.089 69.928 68.868 -0.047 0.000 1.158 206 T HN 1.381 nan 8.240 nan 0.000 0.566 207 D N -0.767 119.618 120.400 -0.026 0.000 2.533 207 D HA 0.426 5.065 4.640 -0.001 0.000 0.236 207 D C 1.607 177.899 176.300 -0.014 0.000 1.137 207 D CA 0.294 54.287 54.000 -0.012 0.000 0.867 207 D CB -0.243 40.555 40.800 -0.003 0.000 1.170 207 D HN 1.030 nan 8.370 nan 0.000 0.474 208 I N -0.198 120.373 120.570 0.002 0.000 2.546 208 I HA 0.431 4.601 4.170 -0.001 0.000 0.255 208 I C 1.896 178.033 176.117 0.034 0.000 1.163 208 I CA 2.150 63.457 61.300 0.012 0.000 1.457 208 I CB -1.356 36.696 38.000 0.086 0.000 1.092 208 I HN 1.094 nan 8.210 nan 0.000 0.434 213 P HA 0.152 nan 4.420 nan 0.000 0.264 213 P C 0.674 177.907 177.300 -0.112 0.000 1.183 213 P CA -0.279 62.793 63.100 -0.047 0.000 0.763 213 P CB 1.205 32.876 31.700 -0.049 0.000 0.807 214 K N 1.296 121.596 120.400 -0.166 0.000 2.148 214 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 214 K C -0.225 176.049 176.600 -0.543 0.000 1.050 214 K CA 1.067 57.150 56.287 -0.340 0.000 0.942 214 K CB 0.015 32.280 32.500 -0.391 0.000 0.724 214 K HN 0.489 nan 8.250 nan 0.000 0.446 215 Y N -0.418 119.796 120.300 -0.144 0.000 2.376 215 Y HA 0.375 4.924 4.550 -0.000 0.000 0.340 215 Y C -0.704 175.126 175.900 -0.117 0.000 0.965 215 Y CA -1.100 56.923 58.100 -0.127 0.000 1.078 215 Y CB 2.148 40.519 38.460 -0.149 0.000 1.193 215 Y HN -0.377 nan 8.280 nan 0.000 0.452 216 V N 2.501 122.439 119.914 0.041 0.000 2.638 216 V HA 0.722 4.841 4.120 -0.001 0.000 0.306 216 V C -0.317 175.780 176.094 0.005 0.000 1.052 216 V CA -1.235 61.065 62.300 0.000 0.000 0.885 216 V CB 1.753 33.556 31.823 -0.032 0.000 0.999 216 V HN 0.896 nan 8.190 nan 0.000 0.424 217 A N 2.265 125.084 122.820 -0.002 0.000 2.409 217 A HA 0.445 4.765 4.320 -0.001 0.000 0.262 217 A C 0.703 178.296 177.584 0.015 0.000 1.113 217 A CA -0.001 52.048 52.037 0.020 0.000 0.790 217 A CB -0.357 18.677 19.000 0.056 0.000 1.046 217 A HN 1.555 nan 8.150 nan 0.000 0.496 218 C N 3.320 122.639 119.300 0.031 0.000 2.977 218 C HA -0.104 4.356 4.460 -0.001 0.000 0.252 218 C C -0.458 174.505 174.990 -0.045 0.000 1.310 218 C CA -0.003 59.028 59.018 0.023 0.000 2.393 218 C CB -2.150 25.677 27.740 0.144 0.000 1.512 218 C HN 0.849 nan 8.230 nan 0.000 0.453 219 P HA -0.082 nan 4.420 nan 0.000 0.218 219 P C 1.675 178.933 177.300 -0.070 0.000 1.149 219 P CA 2.275 65.337 63.100 -0.064 0.000 0.817 219 P CB -0.002 31.670 31.700 -0.048 0.000 0.785 220 G N 0.304 109.072 108.800 -0.053 0.000 2.448 220 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.219 220 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.219 220 G C 0.606 175.463 174.900 -0.071 0.000 1.127 220 G CA 0.190 45.260 45.100 -0.051 0.000 0.766 220 G HN 0.224 nan 8.290 nan 0.000 0.552 221 V N 1.215 121.073 119.914 -0.094 0.000 2.405 221 V HA 0.481 4.601 4.120 -0.001 0.000 0.264 221 V C 1.572 177.553 176.094 -0.189 0.000 1.048 221 V CA 0.548 62.769 62.300 -0.132 0.000 0.966 221 V CB 0.445 32.186 31.823 -0.137 0.000 1.015 221 V HN 0.461 nan 8.190 nan 0.000 0.477 222 R N 4.760 125.179 120.500 -0.135 0.000 2.175 222 R HA 0.386 4.726 4.340 -0.001 0.000 0.202 222 R C 0.732 176.959 176.300 -0.121 0.000 1.018 222 R CA 0.637 56.664 56.100 -0.122 0.000 1.029 222 R CB -0.075 30.180 30.300 -0.075 0.000 0.959 222 R HN 0.697 nan 8.270 nan 0.000 0.480 223 I N 2.013 122.525 120.570 -0.097 0.000 2.307 223 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 223 I C -0.321 175.747 176.117 -0.082 0.000 1.021 223 I CA -0.696 60.566 61.300 -0.064 0.000 1.224 223 I CB 1.808 39.807 38.000 -0.002 0.000 1.376 223 I HN 0.217 nan 8.210 nan 0.000 0.470 224 R N 4.713 125.134 120.500 -0.132 0.000 2.868 224 R HA 0.292 4.631 4.340 -0.001 0.000 0.289 224 R C 0.220 176.573 176.300 0.088 0.000 1.443 224 R CA -0.107 55.852 56.100 -0.234 0.000 1.651 224 R CB 0.015 29.887 30.300 -0.714 0.000 1.242 224 R HN 0.582 nan 8.270 nan 0.000 0.621 225 N N -0.395 118.410 118.700 0.174 0.000 2.353 225 N HA -0.052 4.688 4.740 -0.001 0.000 0.185 225 N C 0.077 175.682 175.510 0.158 0.000 1.098 225 N CA -0.112 53.025 53.050 0.146 0.000 0.872 225 N CB 0.299 38.852 38.487 0.110 0.000 0.970 225 N HN 0.304 nan 8.380 nan 0.000 0.467 226 H N 2.080 121.232 119.070 0.137 0.000 2.929 226 H HA 0.029 4.584 4.556 -0.001 0.000 0.317 226 H C 0.694 175.980 175.328 -0.069 0.000 1.031 226 H CA 0.797 56.787 56.048 -0.097 0.000 1.466 226 H CB 0.701 30.273 29.762 -0.317 0.000 1.482 226 H HN 0.209 nan 8.280 nan 0.000 0.561 227 E N 3.026 123.347 120.200 0.202 0.000 2.267 227 E HA -0.206 4.144 4.350 -0.001 0.000 0.197 227 E C 1.563 178.357 176.600 0.323 0.000 0.998 227 E CA 0.940 57.501 56.400 0.267 0.000 0.830 227 E CB 0.234 30.206 29.700 0.453 0.000 0.751 227 E HN 0.741 nan 8.360 nan 0.000 0.491 228 E N 0.066 120.344 120.200 0.130 0.000 2.268 228 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 228 E C 1.260 177.799 176.600 -0.101 0.000 0.995 228 E CA 0.456 56.804 56.400 -0.087 0.000 0.836 228 E CB 0.002 29.296 29.700 -0.678 0.000 0.763 228 E HN 0.173 nan 8.360 nan 0.000 0.491 229 F N 1.594 121.516 119.950 -0.047 0.000 2.250 229 F HA -0.169 4.358 4.527 -0.001 0.000 0.301 229 F C 2.277 178.069 175.800 -0.013 0.000 1.077 229 F CA 1.163 59.135 58.000 -0.045 0.000 1.348 229 F CB -0.465 38.501 39.000 -0.056 0.000 1.040 229 F HN 0.107 nan 8.300 nan 0.000 0.509 230 Q N -1.390 118.517 119.800 0.179 0.000 2.096 230 Q HA -0.276 4.063 4.340 -0.001 0.000 0.204 230 Q C 2.032 178.064 176.000 0.054 0.000 0.982 230 Q CA 2.114 57.962 55.803 0.074 0.000 0.850 230 Q CB -0.531 28.205 28.738 -0.003 0.000 0.901 230 Q HN 0.534 nan 8.270 nan 0.000 0.422 231 Y N 0.796 121.106 120.300 0.017 0.000 2.206 231 Y HA -0.115 4.435 4.550 -0.001 0.000 0.292 231 Y C 1.847 177.698 175.900 -0.081 0.000 1.123 231 Y CA 1.049 59.129 58.100 -0.033 0.000 1.142 231 Y CB -0.010 38.462 38.460 0.020 0.000 1.006 231 Y HN -0.008 nan 8.280 nan 0.000 0.518 232 L N -0.213 121.052 121.223 0.071 0.000 2.042 232 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 232 L C 1.907 178.732 176.870 -0.074 0.000 1.076 232 L CA 1.651 56.491 54.840 -0.001 0.000 0.749 232 L CB -0.686 41.426 42.059 0.089 0.000 0.893 232 L HN 0.209 nan 8.230 nan 0.000 0.432 233 D N 0.219 120.596 120.400 -0.039 0.000 2.178 233 D HA -0.126 4.514 4.640 -0.001 0.000 0.201 233 D C 2.265 178.453 176.300 -0.186 0.000 0.980 233 D CA 1.174 55.127 54.000 -0.077 0.000 0.842 233 D CB -0.021 40.757 40.800 -0.038 0.000 0.948 233 D HN 0.345 nan 8.370 nan 0.000 0.472 234 I N 0.289 120.659 120.570 -0.332 0.000 2.286 234 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 234 I C 2.327 178.150 176.117 -0.491 0.000 1.104 234 I CA 0.405 61.368 61.300 -0.562 0.000 1.397 234 I CB -0.070 37.419 38.000 -0.851 0.000 1.072 234 I HN -0.038 nan 8.210 nan 0.000 0.417 235 L N 0.761 121.694 121.223 -0.483 0.000 1.990 235 L HA -0.282 4.058 4.340 -0.001 0.000 0.213 235 L C 2.859 179.557 176.870 -0.287 0.000 1.072 235 L CA 1.779 56.392 54.840 -0.379 0.000 0.755 235 L CB -0.842 41.021 42.059 -0.327 0.000 0.889 235 L HN 0.262 nan 8.230 nan 0.000 0.432 236 A N -0.562 122.126 122.820 -0.220 0.000 1.978 236 A HA -0.291 4.029 4.320 -0.001 0.000 0.220 236 A C 1.942 179.436 177.584 -0.150 0.000 1.170 236 A CA 2.195 54.139 52.037 -0.155 0.000 0.636 236 A CB -0.626 18.331 19.000 -0.070 0.000 0.810 236 A HN 0.490 nan 8.150 nan 0.000 0.448 237 D N -0.891 119.429 120.400 -0.134 0.000 2.149 237 D HA -0.076 4.564 4.640 -0.001 0.000 0.201 237 D C 1.784 178.073 176.300 -0.019 0.000 0.972 237 D CA 1.303 55.285 54.000 -0.031 0.000 0.835 237 D CB 0.035 40.874 40.800 0.065 0.000 0.966 237 D HN 0.146 nan 8.370 nan 0.000 0.476 238 V N 0.456 120.321 119.914 -0.083 0.000 2.379 238 V HA -0.147 3.973 4.120 -0.001 0.000 0.245 238 V C 2.563 178.586 176.094 -0.119 0.000 1.044 238 V CA 1.019 63.297 62.300 -0.036 0.000 1.036 238 V CB -0.401 31.379 31.823 -0.072 0.000 0.664 238 V HN 0.308 nan 8.190 nan 0.000 0.453 239 L N -0.360 120.690 121.223 -0.288 0.000 2.083 239 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 239 L C 2.578 179.262 176.870 -0.311 0.000 1.083 239 L CA 1.525 56.055 54.840 -0.518 0.000 0.752 239 L CB -0.542 40.951 42.059 -0.943 0.000 0.899 239 L HN 0.322 nan 8.230 nan 0.000 0.433 240 S N -1.514 114.074 115.700 -0.187 0.000 2.357 240 S HA -0.129 4.341 4.470 -0.001 0.000 0.221 240 S C 1.390 175.843 174.600 -0.246 0.000 1.031 240 S CA 1.090 59.154 58.200 -0.227 0.000 0.982 240 S CB -0.130 62.730 63.200 -0.567 0.000 0.853 240 S HN 0.570 nan 8.310 nan 0.000 0.458 241 H N -0.570 118.528 119.070 0.047 0.000 3.058 241 H HA 0.359 4.914 4.556 -0.001 0.000 0.266 241 H C 0.913 176.292 175.328 0.086 0.000 1.135 241 H CA -0.341 55.744 56.048 0.062 0.000 1.174 241 H CB 0.489 30.284 29.762 0.056 0.000 1.581 241 H HN 0.307 nan 8.280 nan 0.000 0.553 242 G N 1.028 109.942 108.800 0.190 0.000 2.503 242 G HA2 0.348 4.308 3.960 -0.001 0.000 0.257 242 G HA3 0.348 4.308 3.960 -0.001 0.000 0.257 242 G C -0.252 174.796 174.900 0.246 0.000 1.214 242 G CA -0.314 44.912 45.100 0.209 0.000 0.839 242 G HN 0.045 nan 8.290 nan 0.000 0.559 243 V N 2.221 122.240 119.914 0.176 0.000 2.465 243 V HA 0.186 4.305 4.120 -0.001 0.000 0.279 243 V C 0.251 176.374 176.094 0.049 0.000 1.045 243 V CA -0.774 61.599 62.300 0.122 0.000 0.938 243 V CB 1.339 33.198 31.823 0.060 0.000 0.986 243 V HN 0.615 nan 8.190 nan 0.000 0.467 244 L N 7.259 128.456 121.223 -0.043 0.000 2.369 244 L HA 0.448 4.787 4.340 -0.001 0.000 0.279 244 L C 0.058 176.830 176.870 -0.163 0.000 1.108 244 L CA 0.399 55.057 54.840 -0.304 0.000 0.852 244 L CB -0.336 41.458 42.059 -0.440 0.000 1.169 244 L HN 0.862 nan 8.230 nan 0.000 0.452 245 K N 5.908 126.218 120.400 -0.150 0.000 2.509 245 K HA 0.759 5.078 4.320 -0.001 0.000 0.266 245 K C -3.141 173.407 176.600 -0.087 0.000 0.987 245 K CA -1.760 54.472 56.287 -0.092 0.000 0.868 245 K CB 2.091 34.554 32.500 -0.061 0.000 1.421 245 K HN 0.241 nan 8.250 nan 0.000 0.444 246 P HA 0.292 nan 4.420 nan 0.000 0.281 246 P C -1.444 175.841 177.300 -0.026 0.000 1.281 246 P CA -0.491 62.588 63.100 -0.035 0.000 0.811 246 P CB 0.635 32.321 31.700 -0.025 0.000 1.154 247 N N -2.410 116.292 118.700 0.002 0.000 3.116 247 N HA 0.180 4.920 4.740 -0.001 0.000 0.244 247 N C 0.727 176.261 175.510 0.040 0.000 1.485 247 N CA -1.029 52.030 53.050 0.014 0.000 0.884 247 N CB 0.465 38.953 38.487 0.001 0.000 1.415 247 N HN 0.237 nan 8.380 nan 0.000 0.524 248 R N -0.800 119.732 120.500 0.054 0.000 2.211 248 R HA -0.165 4.175 4.340 -0.001 0.000 0.240 248 R C 0.657 176.999 176.300 0.069 0.000 1.144 248 R CA 2.430 58.569 56.100 0.065 0.000 0.992 248 R CB -0.815 29.539 30.300 0.090 0.000 0.869 248 R HN 0.835 nan 8.270 nan 0.000 0.462 249 T N -4.110 110.488 114.554 0.073 0.000 3.023 249 T HA 0.194 4.544 4.350 -0.001 0.000 0.266 249 T C 1.515 176.217 174.700 0.004 0.000 1.093 249 T CA 0.941 63.064 62.100 0.038 0.000 1.129 249 T CB 0.310 69.163 68.868 -0.025 0.000 0.899 249 T HN 0.490 nan 8.240 nan 0.000 0.491 250 G N 0.772 109.579 108.800 0.011 0.000 2.659 250 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.212 250 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.212 250 G C 0.358 175.251 174.900 -0.012 0.000 1.226 250 G CA 0.032 45.130 45.100 -0.004 0.000 0.739 250 G HN 0.734 nan 8.290 nan 0.000 0.528 251 T N 3.173 117.702 114.554 -0.041 0.000 2.884 251 T HA 0.507 4.857 4.350 -0.001 0.000 0.298 251 T C -0.135 174.614 174.700 0.082 0.000 0.998 251 T CA 0.027 62.105 62.100 -0.036 0.000 1.124 251 T CB 1.359 70.129 68.868 -0.163 0.000 0.931 251 T HN 0.335 nan 8.240 nan 0.000 0.531 252 D N 1.217 121.654 120.400 0.060 0.000 2.383 252 D HA 0.630 5.269 4.640 -0.001 0.000 0.248 252 D C -0.194 176.151 176.300 0.076 0.000 1.170 252 D CA -0.238 53.782 54.000 0.033 0.000 0.977 252 D CB 1.191 41.952 40.800 -0.064 0.000 1.120 252 D HN 0.662 nan 8.370 nan 0.000 0.481 253 A N 0.715 123.488 122.820 -0.079 0.000 2.520 253 A HA 0.462 4.782 4.320 -0.001 0.000 0.298 253 A C -1.531 175.932 177.584 -0.201 0.000 1.051 253 A CA -0.718 51.238 52.037 -0.135 0.000 0.690 253 A CB 0.611 19.409 19.000 -0.337 0.000 1.281 253 A HN 0.419 nan 8.150 nan 0.000 0.402 254 Y N 1.089 121.380 120.300 -0.015 0.000 2.442 254 Y HA 0.448 4.998 4.550 -0.000 0.000 0.330 254 Y C 1.186 177.098 175.900 0.021 0.000 1.129 254 Y CA 1.114 59.214 58.100 0.000 0.000 1.365 254 Y CB 1.191 39.643 38.460 -0.013 0.000 1.233 254 Y HN 0.630 nan 8.280 nan 0.000 0.529 255 S N 3.878 119.678 115.700 0.166 0.000 2.547 255 S HA 0.705 5.175 4.470 -0.001 0.000 0.281 255 S C -1.234 173.466 174.600 0.167 0.000 1.118 255 S CA -0.835 57.456 58.200 0.152 0.000 0.947 255 S CB 1.133 64.385 63.200 0.086 0.000 1.053 255 S HN 0.689 nan 8.310 nan 0.000 0.482 256 K N 2.361 122.885 120.400 0.207 0.000 2.532 256 K HA 0.596 4.915 4.320 -0.001 0.000 0.265 256 K C -2.073 174.679 176.600 0.253 0.000 0.948 256 K CA -0.711 55.706 56.287 0.217 0.000 0.842 256 K CB 1.475 34.122 32.500 0.245 0.000 1.392 256 K HN 0.519 nan 8.250 nan 0.000 0.436 257 F N 1.563 121.481 119.950 -0.054 0.000 2.482 257 F HA 0.606 5.133 4.527 -0.000 0.000 0.331 257 F C 0.024 175.646 175.800 -0.296 0.000 1.115 257 F CA -0.009 57.929 58.000 -0.102 0.000 0.955 257 F CB 1.971 40.927 39.000 -0.073 0.000 1.136 257 F HN 0.624 nan 8.300 nan 0.000 0.452 258 G N 4.790 113.094 108.800 -0.826 0.000 3.110 258 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.506 258 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.506 258 G C -1.786 172.619 174.900 -0.825 0.000 1.077 258 G CA -0.659 43.948 45.100 -0.822 0.000 0.960 258 G HN 0.769 nan 8.290 nan 0.000 0.434 259 Y N -0.103 120.020 120.300 -0.295 0.000 2.588 259 Y HA 0.775 5.324 4.550 -0.000 0.000 0.343 259 Y C 0.177 175.936 175.900 -0.234 0.000 1.065 259 Y CA -0.949 57.015 58.100 -0.226 0.000 1.038 259 Y CB 2.345 40.679 38.460 -0.209 0.000 1.297 259 Y HN 0.641 nan 8.280 nan 0.000 0.467 260 Q N 2.369 122.155 119.800 -0.024 0.000 2.285 260 Q HA 0.678 5.017 4.340 -0.001 0.000 0.269 260 Q C -1.800 174.126 176.000 -0.125 0.000 1.030 260 Q CA -0.624 55.117 55.803 -0.103 0.000 0.788 260 Q CB 1.696 30.363 28.738 -0.117 0.000 1.266 260 Q HN 0.767 nan 8.270 nan 0.000 0.438 261 M N 2.868 122.358 119.600 -0.183 0.000 2.535 261 M HA 0.614 5.094 4.480 -0.001 0.000 0.314 261 M C -0.902 175.131 176.300 -0.443 0.000 1.153 261 M CA -0.687 54.434 55.300 -0.299 0.000 0.924 261 M CB 2.401 34.863 32.600 -0.231 0.000 1.710 261 M HN 0.471 nan 8.290 nan 0.000 0.451 262 R N 1.510 121.644 120.500 -0.611 0.000 2.670 262 R HA 0.781 5.121 4.340 -0.001 0.000 0.289 262 R C -1.741 174.070 176.300 -0.816 0.000 0.965 262 R CA -0.612 55.174 56.100 -0.522 0.000 0.899 262 R CB 1.830 31.973 30.300 -0.261 0.000 1.173 262 R HN 0.441 nan 8.270 nan 0.000 0.456 263 F N 0.380 120.341 119.950 0.018 0.000 2.536 263 F HA 0.176 4.703 4.527 -0.001 0.000 0.322 263 F C -0.132 175.699 175.800 0.053 0.000 1.144 263 F CA -1.108 56.923 58.000 0.053 0.000 0.924 263 F CB 1.814 40.845 39.000 0.052 0.000 1.181 263 F HN 0.388 nan 8.300 nan 0.000 0.438 264 D N 4.193 124.704 120.400 0.184 0.000 2.374 264 D HA 0.181 4.821 4.640 -0.001 0.000 0.240 264 D C 0.821 177.189 176.300 0.112 0.000 1.229 264 D CA 0.237 54.309 54.000 0.119 0.000 0.895 264 D CB 0.819 41.657 40.800 0.063 0.000 1.046 264 D HN 0.601 nan 8.370 nan 0.000 0.498 265 L N 2.672 123.969 121.223 0.122 0.000 2.478 265 L HA -0.089 4.250 4.340 -0.001 0.000 0.223 265 L C 2.299 179.215 176.870 0.077 0.000 1.140 265 L CA 0.432 55.332 54.840 0.100 0.000 0.842 265 L CB -0.293 41.836 42.059 0.118 0.000 0.953 265 L HN 0.347 nan 8.230 nan 0.000 0.452 266 S N -0.533 115.211 115.700 0.073 0.000 2.481 266 S HA -0.126 4.344 4.470 -0.001 0.000 0.231 266 S C 2.003 176.633 174.600 0.051 0.000 0.996 266 S CA 0.536 58.773 58.200 0.061 0.000 0.942 266 S CB 0.022 63.262 63.200 0.067 0.000 0.768 266 S HN 0.371 nan 8.310 nan 0.000 0.520 267 R N 0.993 121.515 120.500 0.038 0.000 2.121 267 R HA 0.282 4.621 4.340 -0.001 0.000 0.206 267 R C 0.386 176.671 176.300 -0.025 0.000 1.094 267 R CA 0.991 57.092 56.100 0.002 0.000 1.055 267 R CB 0.602 30.866 30.300 -0.060 0.000 0.964 267 R HN 0.574 nan 8.270 nan 0.000 0.473 268 S N -1.927 113.775 115.700 0.004 0.000 2.643 268 S HA 0.347 4.817 4.470 -0.001 0.000 0.270 268 S C -1.535 173.072 174.600 0.011 0.000 1.166 268 S CA -0.956 57.259 58.200 0.025 0.000 0.815 268 S CB 1.128 64.371 63.200 0.073 0.000 1.139 268 S HN 0.054 nan 8.310 nan 0.000 0.472 269 F N 3.416 123.245 119.950 -0.201 0.000 2.388 269 F HA 0.607 5.134 4.527 -0.001 0.000 0.358 269 F C -2.401 172.970 175.800 -0.716 0.000 1.122 269 F CA -2.421 55.373 58.000 -0.344 0.000 1.056 269 F CB 1.968 40.809 39.000 -0.264 0.000 1.155 269 F HN 0.369 nan 8.300 nan 0.000 0.461 270 P HA 0.064 nan 4.420 nan 0.000 0.230 270 P C -0.763 175.523 177.300 -1.689 0.000 1.791 270 P CA 0.040 61.820 63.100 -2.200 0.000 1.020 270 P CB 0.228 30.893 31.700 -1.726 0.000 1.977 271 L N 2.769 123.248 121.223 -1.239 0.000 2.264 271 L HA 0.255 4.595 4.340 -0.001 0.000 0.289 271 L C 0.065 176.833 176.870 -0.169 0.000 1.044 271 L CA -0.784 53.677 54.840 -0.633 0.000 0.807 271 L CB 0.532 42.321 42.059 -0.450 0.000 1.192 271 L HN 0.063 nan 8.230 nan 0.000 0.425 272 L N 4.347 125.485 121.223 -0.141 0.000 2.514 272 L HA 0.122 4.461 4.340 -0.001 0.000 0.280 272 L C 1.263 178.267 176.870 0.224 0.000 1.223 272 L CA 0.494 55.363 54.840 0.049 0.000 0.864 272 L CB 0.500 42.427 42.059 -0.219 0.000 1.118 272 L HN 0.853 nan 8.230 nan 0.000 0.494 273 T N -4.694 109.978 114.554 0.198 0.000 3.010 273 T HA -0.027 4.322 4.350 -0.001 0.000 0.257 273 T C 1.356 176.153 174.700 0.161 0.000 1.020 273 T CA 0.328 62.555 62.100 0.211 0.000 0.938 273 T CB -0.012 68.985 68.868 0.215 0.000 1.049 273 T HN 0.719 nan 8.240 nan 0.000 0.522 274 T N 0.370 114.932 114.554 0.012 0.000 3.085 274 T HA 0.180 4.529 4.350 -0.001 0.000 0.263 274 T C 0.550 175.228 174.700 -0.036 0.000 1.127 274 T CA 0.132 62.177 62.100 -0.091 0.000 1.103 274 T CB -0.401 68.354 68.868 -0.189 0.000 0.921 274 T HN 0.791 nan 8.240 nan 0.000 0.510 275 K N -0.044 120.370 120.400 0.023 0.000 2.556 275 K HA 0.441 4.760 4.320 -0.001 0.000 0.274 275 K C -1.526 175.120 176.600 0.078 0.000 0.966 275 K CA -1.153 55.158 56.287 0.039 0.000 0.865 275 K CB 1.729 34.220 32.500 -0.016 0.000 1.444 275 K HN -0.095 nan 8.250 nan 0.000 0.433 276 K N 2.022 122.471 120.400 0.081 0.000 2.383 276 K HA 0.178 4.497 4.320 -0.001 0.000 0.286 276 K C -1.044 175.645 176.600 0.148 0.000 1.051 276 K CA -0.471 55.905 56.287 0.148 0.000 0.974 276 K CB 0.797 33.355 32.500 0.097 0.000 0.968 276 K HN 0.431 nan 8.250 nan 0.000 0.475 277 V N 3.771 123.814 119.914 0.214 0.000 2.417 277 V HA 0.441 4.560 4.120 -0.001 0.000 0.291 277 V C -0.078 176.087 176.094 0.119 0.000 1.024 277 V CA -1.016 61.327 62.300 0.072 0.000 0.861 277 V CB 1.255 33.004 31.823 -0.123 0.000 0.985 277 V HN 0.920 nan 8.190 nan 0.000 0.436 278 A N 4.607 127.544 122.820 0.194 0.000 2.310 278 A HA 0.772 5.091 4.320 -0.001 0.000 0.299 278 A C 0.434 178.091 177.584 0.121 0.000 1.147 278 A CA -0.338 51.773 52.037 0.123 0.000 0.818 278 A CB 0.722 19.776 19.000 0.091 0.000 1.096 278 A HN 0.901 nan 8.150 nan 0.000 0.495 279 L N 1.341 122.572 121.223 0.013 0.000 2.749 279 L HA 0.166 4.506 4.340 -0.001 0.000 0.242 279 L C 2.366 179.190 176.870 -0.078 0.000 1.103 279 L CA 0.105 54.934 54.840 -0.017 0.000 0.906 279 L CB -0.201 41.828 42.059 -0.049 0.000 1.228 279 L HN 1.022 nan 8.230 nan 0.000 0.517 280 R N 0.446 120.898 120.500 -0.080 0.000 2.140 280 R HA -0.215 4.125 4.340 -0.001 0.000 0.250 280 R C 2.162 178.383 176.300 -0.131 0.000 1.150 280 R CA 2.226 58.268 56.100 -0.097 0.000 0.966 280 R CB -0.034 30.218 30.300 -0.080 0.000 0.869 280 R HN 0.181 nan 8.270 nan 0.000 0.445 281 S N 0.229 115.832 115.700 -0.163 0.000 2.368 281 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 281 S C 1.833 176.294 174.600 -0.232 0.000 1.029 281 S CA 0.888 58.959 58.200 -0.215 0.000 0.988 281 S CB -0.107 62.931 63.200 -0.270 0.000 0.838 281 S HN 0.230 nan 8.310 nan 0.000 0.462 282 I N 1.905 122.339 120.570 -0.226 0.000 2.208 282 I HA -0.156 4.014 4.170 -0.001 0.000 0.245 282 I C 2.018 178.030 176.117 -0.175 0.000 1.097 282 I CA 1.269 62.458 61.300 -0.185 0.000 1.363 282 I CB -1.217 36.730 38.000 -0.088 0.000 1.051 282 I HN 0.290 nan 8.210 nan 0.000 0.413 283 I N 0.007 120.485 120.570 -0.154 0.000 2.286 283 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 283 I C 2.422 178.453 176.117 -0.144 0.000 1.104 283 I CA 0.830 62.042 61.300 -0.147 0.000 1.397 283 I CB -0.375 37.545 38.000 -0.134 0.000 1.072 283 I HN 0.147 nan 8.210 nan 0.000 0.417 284 E N 0.821 120.931 120.200 -0.149 0.000 2.085 284 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 284 E C 1.963 178.452 176.600 -0.185 0.000 0.994 284 E CA 1.206 57.518 56.400 -0.147 0.000 0.801 284 E CB -0.298 29.301 29.700 -0.168 0.000 0.743 284 E HN 0.535 nan 8.360 nan 0.000 0.453 285 E N 0.479 120.520 120.200 -0.266 0.000 2.051 285 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 285 E C 2.206 178.450 176.600 -0.593 0.000 0.991 285 E CA 0.698 56.861 56.400 -0.395 0.000 0.799 285 E CB -0.046 29.433 29.700 -0.369 0.000 0.748 285 E HN 0.062 nan 8.360 nan 0.000 0.449 286 L N 1.281 122.260 121.223 -0.408 0.000 1.989 286 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 286 L C 2.291 179.113 176.870 -0.081 0.000 1.071 286 L CA 1.642 56.342 54.840 -0.234 0.000 0.749 286 L CB -0.709 41.269 42.059 -0.134 0.000 0.890 286 L HN 0.230 nan 8.230 nan 0.000 0.431 287 L N -2.031 119.162 121.223 -0.050 0.000 2.081 287 L HA -0.273 4.066 4.340 -0.001 0.000 0.212 287 L C 2.426 179.349 176.870 0.088 0.000 1.080 287 L CA 1.864 56.727 54.840 0.039 0.000 0.754 287 L CB -0.856 41.223 42.059 0.033 0.000 0.893 287 L HN 0.555 nan 8.230 nan 0.000 0.433 288 W N 0.406 121.589 121.300 -0.195 0.000 2.418 288 W HA -0.158 4.502 4.660 -0.001 0.000 0.292 288 W C 2.205 178.655 176.519 -0.115 0.000 1.213 288 W CA 0.867 58.103 57.345 -0.182 0.000 1.283 288 W CB -0.181 29.113 29.460 -0.277 0.000 1.119 288 W HN -0.043 nan 8.180 nan 0.000 0.542 289 F N 0.816 120.658 119.950 -0.181 0.000 2.095 289 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 289 F C 2.263 177.879 175.800 -0.307 0.000 1.104 289 F CA 1.370 59.044 58.000 -0.542 0.000 1.232 289 F CB -1.527 36.959 39.000 -0.855 0.000 0.987 289 F HN -0.140 nan 8.300 nan 0.000 0.475 290 I N 0.388 121.056 120.570 0.164 0.000 2.286 290 I HA -0.291 3.878 4.170 -0.001 0.000 0.248 290 I C 2.554 178.751 176.117 0.134 0.000 1.115 290 I CA 1.783 63.230 61.300 0.244 0.000 1.392 290 I CB -0.875 37.271 38.000 0.243 0.000 1.065 290 I HN 0.168 nan 8.210 nan 0.000 0.418 291 K N 0.822 121.261 120.400 0.065 0.000 2.439 291 K HA 0.153 4.473 4.320 -0.001 0.000 0.197 291 K C 1.636 178.245 176.600 0.015 0.000 1.041 291 K CA 0.947 57.262 56.287 0.047 0.000 0.970 291 K CB -1.158 31.373 32.500 0.052 0.000 0.773 291 K HN 0.637 nan 8.250 nan 0.000 0.479 292 G N -0.294 108.472 108.800 -0.058 0.000 2.143 292 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.248 292 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.248 292 G C 0.379 175.208 174.900 -0.119 0.000 0.991 292 G CA 0.648 45.725 45.100 -0.040 0.000 0.689 292 G HN 1.115 nan 8.290 nan 0.000 0.522 293 S N -0.108 115.363 115.700 -0.383 0.000 2.548 293 S HA 0.568 5.037 4.470 -0.001 0.000 0.277 293 S C 1.502 175.678 174.600 -0.707 0.000 1.315 293 S CA 1.013 58.941 58.200 -0.453 0.000 1.050 293 S CB 0.906 63.807 63.200 -0.498 0.000 0.918 293 S HN 1.171 nan 8.310 nan 0.000 0.497 294 T N 1.177 115.559 114.554 -0.286 0.000 3.129 294 T HA 0.266 4.615 4.350 -0.001 0.000 0.267 294 T C 0.112 174.837 174.700 0.042 0.000 1.018 294 T CA -0.553 61.410 62.100 -0.228 0.000 0.903 294 T CB -0.318 68.453 68.868 -0.162 0.000 1.067 294 T HN 0.450 nan 8.240 nan 0.000 0.549 295 N N 1.439 120.245 118.700 0.176 0.000 2.462 295 N HA 0.355 5.095 4.740 -0.001 0.000 0.242 295 N C 1.370 177.091 175.510 0.352 0.000 1.010 295 N CA -0.148 53.035 53.050 0.220 0.000 0.939 295 N CB 1.232 39.802 38.487 0.138 0.000 1.127 295 N HN 0.347 nan 8.380 nan 0.000 0.509 296 G N 3.149 112.077 108.800 0.213 0.000 2.509 296 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 296 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 296 G C 1.174 175.970 174.900 -0.173 0.000 1.124 296 G CA 0.343 45.438 45.100 -0.008 0.000 0.776 296 G HN 0.628 nan 8.290 nan 0.000 0.547 297 N N 0.792 119.456 118.700 -0.061 0.000 2.309 297 N HA -0.057 4.683 4.740 -0.001 0.000 0.182 297 N C 1.392 176.850 175.510 -0.087 0.000 1.018 297 N CA 1.003 53.998 53.050 -0.092 0.000 0.876 297 N CB -0.005 38.492 38.487 0.017 0.000 0.972 297 N HN 0.127 nan 8.380 nan 0.000 0.434 298 D N 0.704 121.086 120.400 -0.030 0.000 2.149 298 D HA -0.109 4.530 4.640 -0.001 0.000 0.198 298 D C 1.873 178.046 176.300 -0.211 0.000 0.990 298 D CA 0.788 54.771 54.000 -0.028 0.000 0.839 298 D CB -0.182 40.730 40.800 0.186 0.000 0.948 298 D HN 0.287 nan 8.370 nan 0.000 0.460 299 L N -0.057 120.897 121.223 -0.448 0.000 2.072 299 L HA -0.052 4.287 4.340 -0.001 0.000 0.205 299 L C 2.487 179.175 176.870 -0.303 0.000 1.079 299 L CA 0.522 55.066 54.840 -0.494 0.000 0.752 299 L CB -0.351 41.260 42.059 -0.747 0.000 0.906 299 L HN 0.042 nan 8.230 nan 0.000 0.436 300 L N -0.031 121.026 121.223 -0.276 0.000 2.083 300 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 300 L C 2.875 179.658 176.870 -0.146 0.000 1.083 300 L CA 1.087 55.800 54.840 -0.212 0.000 0.752 300 L CB -0.733 41.180 42.059 -0.242 0.000 0.899 300 L HN 0.224 nan 8.230 nan 0.000 0.433 301 A N 0.048 122.793 122.820 -0.124 0.000 2.032 301 A HA -0.231 4.089 4.320 -0.001 0.000 0.221 301 A C 2.117 179.652 177.584 -0.081 0.000 1.165 301 A CA 1.732 53.721 52.037 -0.081 0.000 0.645 301 A CB -0.343 18.624 19.000 -0.055 0.000 0.807 301 A HN 0.366 nan 8.150 nan 0.000 0.453 302 K N -0.340 119.994 120.400 -0.109 0.000 2.410 302 K HA 0.095 4.415 4.320 -0.001 0.000 0.200 302 K C -0.310 176.225 176.600 -0.108 0.000 1.023 302 K CA -0.031 56.195 56.287 -0.102 0.000 1.149 302 K CB 0.170 32.600 32.500 -0.116 0.000 0.859 302 K HN 0.425 nan 8.250 nan 0.000 0.514 303 N N 0.797 119.430 118.700 -0.112 0.000 2.714 303 N HA -0.163 4.577 4.740 -0.001 0.000 0.253 303 N C -1.266 174.166 175.510 -0.130 0.000 1.024 303 N CA 0.610 53.595 53.050 -0.108 0.000 0.726 303 N CB -1.173 37.267 38.487 -0.080 0.000 0.908 303 N HN -0.058 nan 8.380 nan 0.000 0.542 304 V N 1.065 120.877 119.914 -0.170 0.000 2.384 304 V HA 0.320 4.440 4.120 -0.001 0.000 0.287 304 V C 1.323 177.297 176.094 -0.200 0.000 1.020 304 V CA -0.485 61.697 62.300 -0.197 0.000 0.850 304 V CB 2.085 33.758 31.823 -0.249 0.000 0.987 304 V HN 0.221 nan 8.190 nan 0.000 0.436 305 R N 3.076 123.473 120.500 -0.171 0.000 2.476 305 R HA 0.328 4.668 4.340 -0.001 0.000 0.276 305 R C 1.643 177.860 176.300 -0.139 0.000 0.941 305 R CA -0.077 55.937 56.100 -0.143 0.000 1.088 305 R CB 0.404 30.636 30.300 -0.112 0.000 1.216 305 R HN 0.646 nan 8.270 nan 0.000 0.533 306 I N 0.221 120.684 120.570 -0.178 0.000 2.178 306 I HA -0.347 3.823 4.170 -0.001 0.000 0.243 306 I C 1.227 177.163 176.117 -0.302 0.000 1.019 306 I CA 2.204 63.355 61.300 -0.248 0.000 1.294 306 I CB -0.160 37.700 38.000 -0.233 0.000 0.996 306 I HN 0.270 nan 8.210 nan 0.000 0.415 307 W N 0.393 121.581 121.300 -0.187 0.000 3.278 307 W HA 0.109 4.768 4.660 -0.001 0.000 0.308 307 W C 2.173 178.640 176.519 -0.086 0.000 1.253 307 W CA -0.171 57.100 57.345 -0.123 0.000 1.759 307 W CB -0.133 29.239 29.460 -0.146 0.000 1.093 307 W HN 0.133 nan 8.180 nan 0.000 0.648 308 E N 0.963 121.194 120.200 0.052 0.000 2.023 308 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 308 E C 1.916 178.600 176.600 0.140 0.000 1.003 308 E CA 1.550 58.002 56.400 0.086 0.000 0.809 308 E CB -0.348 29.355 29.700 0.006 0.000 0.755 308 E HN 0.244 nan 8.360 nan 0.000 0.449 309 L N 0.604 121.835 121.223 0.013 0.000 2.127 309 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 309 L C 1.859 178.653 176.870 -0.127 0.000 1.089 309 L CA 1.404 56.224 54.840 -0.034 0.000 0.757 309 L CB -0.466 41.539 42.059 -0.091 0.000 0.899 309 L HN 0.178 nan 8.230 nan 0.000 0.434 310 N N -0.452 118.129 118.700 -0.197 0.000 2.467 310 N HA -0.036 4.703 4.740 -0.001 0.000 0.184 310 N C 1.530 177.044 175.510 0.007 0.000 1.106 310 N CA 0.742 53.567 53.050 -0.375 0.000 0.892 310 N CB 0.129 38.438 38.487 -0.296 0.000 0.969 310 N HN 0.264 nan 8.380 nan 0.000 0.454 311 G N -0.439 108.445 108.800 0.140 0.000 3.126 311 G HA2 0.095 4.055 3.960 -0.001 0.000 0.224 311 G HA3 0.095 4.055 3.960 -0.001 0.000 0.224 311 G C 0.487 175.290 174.900 -0.163 0.000 1.142 311 G CA -0.323 44.856 45.100 0.132 0.000 0.759 311 G HN 0.089 nan 8.290 nan 0.000 0.550 312 R N -0.399 120.078 120.500 -0.039 0.000 2.615 312 R HA 0.329 4.669 4.340 -0.001 0.000 0.270 312 R C 1.568 177.882 176.300 0.023 0.000 1.081 312 R CA -0.722 55.340 56.100 -0.063 0.000 1.154 312 R CB 0.725 31.053 30.300 0.046 0.000 1.063 312 R HN 0.000 nan 8.270 nan 0.000 0.519 313 R N 1.665 122.163 120.500 -0.004 0.000 2.094 313 R HA -0.200 4.140 4.340 -0.001 0.000 0.239 313 R C 1.341 177.683 176.300 0.069 0.000 1.137 313 R CA 2.536 58.654 56.100 0.030 0.000 0.943 313 R CB -0.482 29.827 30.300 0.016 0.000 0.850 313 R HN 0.784 nan 8.270 nan 0.000 0.433 314 D N -0.484 119.963 120.400 0.079 0.000 2.108 314 D HA -0.255 4.384 4.640 -0.001 0.000 0.190 314 D C 1.966 178.335 176.300 0.115 0.000 0.995 314 D CA 1.426 55.476 54.000 0.084 0.000 0.834 314 D CB -1.028 39.824 40.800 0.088 0.000 0.967 314 D HN 0.322 nan 8.370 nan 0.000 0.446 315 F N 1.215 121.191 119.950 0.042 0.000 2.161 315 F HA -0.096 4.431 4.527 0.000 0.000 0.300 315 F C 2.417 178.278 175.800 0.102 0.000 1.089 315 F CA 1.004 59.044 58.000 0.066 0.000 1.282 315 F CB -0.111 38.932 39.000 0.071 0.000 1.010 315 F HN -0.134 nan 8.300 nan 0.000 0.485 316 L N -0.305 121.078 121.223 0.266 0.000 1.988 316 L HA -0.227 4.113 4.340 -0.001 0.000 0.207 316 L C 2.232 179.193 176.870 0.152 0.000 1.071 316 L CA 1.564 56.564 54.840 0.267 0.000 0.744 316 L CB -0.835 41.356 42.059 0.220 0.000 0.893 316 L HN 0.055 nan 8.230 nan 0.000 0.433 317 D N 0.522 120.966 120.400 0.073 0.000 2.123 317 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 317 D C 2.359 178.626 176.300 -0.055 0.000 0.992 317 D CA 1.872 55.879 54.000 0.012 0.000 0.833 317 D CB -0.152 40.654 40.800 0.010 0.000 0.954 317 D HN 0.274 nan 8.370 nan 0.000 0.455 318 K N 1.337 121.685 120.400 -0.086 0.000 2.103 318 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 318 K C 1.646 178.119 176.600 -0.212 0.000 1.048 318 K CA 1.307 57.502 56.287 -0.153 0.000 0.930 318 K CB -0.941 31.440 32.500 -0.197 0.000 0.716 318 K HN 0.251 nan 8.250 nan 0.000 0.444 319 N N -0.723 117.833 118.700 -0.240 0.000 2.276 319 N HA 0.163 4.903 4.740 -0.001 0.000 0.212 319 N C 0.685 175.983 175.510 -0.353 0.000 1.127 319 N CA 0.603 53.511 53.050 -0.236 0.000 0.834 319 N CB 0.820 39.206 38.487 -0.167 0.000 1.014 319 N HN 0.609 nan 8.380 nan 0.000 0.491 320 G N 0.951 109.573 108.800 -0.296 0.000 2.176 320 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.253 320 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.253 320 G C 0.075 174.717 174.900 -0.430 0.000 0.979 320 G CA -0.369 44.501 45.100 -0.383 0.000 0.641 320 G HN 0.320 nan 8.290 nan 0.000 0.530 321 F N 2.170 122.108 119.950 -0.020 0.000 2.954 321 F HA 0.347 4.874 4.527 0.001 0.000 0.300 321 F C 2.098 177.901 175.800 0.005 0.000 1.206 321 F CA 0.571 58.572 58.000 0.003 0.000 1.345 321 F CB -0.222 38.794 39.000 0.026 0.000 1.206 321 F HN 0.052 nan 8.300 nan 0.000 0.537 322 T N 0.278 114.878 114.554 0.076 0.000 2.649 322 T HA -0.269 4.081 4.350 -0.001 0.000 0.268 322 T C 1.576 176.318 174.700 0.070 0.000 1.036 322 T CA 2.271 64.402 62.100 0.051 0.000 1.157 322 T CB -0.202 68.670 68.868 0.007 0.000 0.861 322 T HN 0.465 nan 8.240 nan 0.000 0.445 323 D N 0.275 120.724 120.400 0.082 0.000 2.349 323 D HA 0.005 4.645 4.640 -0.001 0.000 0.224 323 D C 0.786 177.135 176.300 0.081 0.000 1.029 323 D CA 0.146 54.188 54.000 0.070 0.000 0.879 323 D CB -0.113 40.720 40.800 0.056 0.000 0.906 323 D HN 0.261 nan 8.370 nan 0.000 0.528 324 R N 0.893 121.459 120.500 0.110 0.000 2.474 324 R HA 0.292 4.632 4.340 -0.001 0.000 0.295 324 R C 0.202 176.539 176.300 0.062 0.000 0.980 324 R CA -0.633 55.520 56.100 0.087 0.000 0.934 324 R CB 1.580 31.935 30.300 0.093 0.000 1.101 324 R HN 0.140 nan 8.270 nan 0.000 0.469 325 E N 1.701 121.932 120.200 0.051 0.000 2.436 325 E HA -0.099 4.251 4.350 -0.001 0.000 0.262 325 E C -0.225 176.385 176.600 0.017 0.000 1.063 325 E CA 0.391 56.821 56.400 0.049 0.000 0.944 325 E CB 0.603 30.352 29.700 0.081 0.000 0.950 325 E HN 0.365 nan 8.360 nan 0.000 0.444 326 E N 1.346 121.536 120.200 -0.017 0.000 2.452 326 E HA -0.151 4.198 4.350 -0.001 0.000 0.261 326 E C -0.372 176.164 176.600 -0.106 0.000 0.987 326 E CA 0.154 56.463 56.400 -0.152 0.000 0.926 326 E CB 0.177 29.748 29.700 -0.215 0.000 0.934 326 E HN 0.531 nan 8.360 nan 0.000 0.452 327 H N 0.853 119.957 119.070 0.057 0.000 3.211 327 H HA -0.209 4.347 4.556 -0.000 0.000 0.240 327 H C -0.475 174.872 175.328 0.032 0.000 1.148 327 H CA 1.147 57.225 56.048 0.050 0.000 1.160 327 H CB -1.370 28.417 29.762 0.042 0.000 1.232 327 H HN 0.517 nan 8.280 nan 0.000 0.321 328 D N 0.986 121.428 120.400 0.071 0.000 2.352 328 D HA 0.194 4.833 4.640 -0.001 0.000 0.245 328 D C 1.220 177.504 176.300 -0.027 0.000 1.224 328 D CA -0.264 53.748 54.000 0.020 0.000 0.879 328 D CB 0.341 41.140 40.800 -0.001 0.000 1.057 328 D HN 0.329 nan 8.370 nan 0.000 0.491 329 L N 3.044 124.240 121.223 -0.044 0.000 2.607 329 L HA 0.280 4.619 4.340 -0.001 0.000 0.228 329 L C 1.478 178.170 176.870 -0.297 0.000 1.123 329 L CA 0.248 55.026 54.840 -0.102 0.000 0.890 329 L CB -0.336 41.698 42.059 -0.040 0.000 1.103 329 L HN 0.652 nan 8.230 nan 0.000 0.468 330 G N 1.007 109.572 108.800 -0.391 0.000 2.698 330 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.225 330 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.225 330 G C -2.577 171.639 174.900 -1.140 0.000 1.345 330 G CA -0.552 44.068 45.100 -0.801 0.000 0.871 330 G HN -0.010 nan 8.290 nan 0.000 0.540 331 P HA 0.275 nan 4.420 nan 0.000 0.231 331 P C 0.836 177.821 177.300 -0.524 0.000 1.756 331 P CA 0.016 62.429 63.100 -1.145 0.000 0.990 331 P CB -1.012 29.999 31.700 -1.148 0.000 1.973 332 I N -3.329 116.953 120.570 -0.479 0.000 3.432 332 I HA 0.151 4.321 4.170 -0.001 0.000 0.291 332 I C 1.538 177.431 176.117 -0.373 0.000 1.127 332 I CA -0.866 60.178 61.300 -0.427 0.000 0.962 332 I CB -0.262 37.510 38.000 -0.380 0.000 1.550 332 I HN -0.083 nan 8.210 nan 0.000 0.736 333 Y N 1.940 122.024 120.300 -0.360 0.000 2.044 333 Y HA -0.364 4.186 4.550 0.000 0.000 0.212 333 Y C 2.626 178.059 175.900 -0.778 0.000 1.239 333 Y CA 2.554 60.267 58.100 -0.645 0.000 0.969 333 Y CB -1.861 35.829 38.460 -1.283 0.000 0.768 333 Y HN 0.794 nan 8.280 nan 0.000 0.544 334 G N -1.489 106.958 108.800 -0.589 0.000 2.440 334 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.218 334 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.218 334 G C 1.565 176.380 174.900 -0.141 0.000 1.154 334 G CA 0.994 45.823 45.100 -0.451 0.000 0.767 334 G HN 0.435 nan 8.290 nan 0.000 0.552 335 F N 1.250 121.046 119.950 -0.257 0.000 2.102 335 F HA -0.092 4.435 4.527 -0.001 0.000 0.298 335 F C 2.904 178.685 175.800 -0.032 0.000 1.105 335 F CA 1.853 59.773 58.000 -0.133 0.000 1.239 335 F CB -0.002 38.805 39.000 -0.322 0.000 0.991 335 F HN 0.081 nan 8.300 nan 0.000 0.474 336 Q N -0.573 119.250 119.800 0.039 0.000 2.119 336 Q HA -0.200 4.140 4.340 -0.001 0.000 0.201 336 Q C 2.105 178.278 176.000 0.287 0.000 0.972 336 Q CA 1.586 57.458 55.803 0.116 0.000 0.847 336 Q CB -1.072 27.789 28.738 0.205 0.000 0.903 336 Q HN 0.527 nan 8.270 nan 0.000 0.433 337 W N 1.357 122.659 121.300 0.004 0.000 2.338 337 W HA -0.117 4.542 4.660 -0.001 0.000 0.304 337 W C 2.020 178.484 176.519 -0.092 0.000 1.212 337 W CA 0.864 58.213 57.345 0.007 0.000 1.264 337 W CB -0.306 29.191 29.460 0.062 0.000 1.142 337 W HN 0.158 nan 8.180 nan 0.000 0.512 338 R N -1.763 118.740 120.500 0.006 0.000 2.254 338 R HA 0.091 4.431 4.340 -0.001 0.000 0.193 338 R C 0.346 176.223 176.300 -0.706 0.000 0.929 338 R CA 0.730 56.616 56.100 -0.356 0.000 1.038 338 R CB -0.544 29.446 30.300 -0.517 0.000 1.009 338 R HN 0.309 nan 8.270 nan 0.000 0.512 339 H N -0.999 117.898 119.070 -0.287 0.000 2.907 339 H HA 0.154 4.710 4.556 -0.001 0.000 0.233 339 H C -0.721 174.322 175.328 -0.476 0.000 1.285 339 H CA -0.795 54.962 56.048 -0.485 0.000 0.981 339 H CB -0.365 28.803 29.762 -0.991 0.000 2.255 339 H HN -0.038 nan 8.280 nan 0.000 0.601 340 F N 1.926 121.741 119.950 -0.225 0.000 2.612 340 F HA 0.210 4.737 4.527 -0.001 0.000 0.389 340 F C 1.493 177.263 175.800 -0.049 0.000 1.055 340 F CA 2.132 60.067 58.000 -0.109 0.000 1.232 340 F CB 0.500 39.475 39.000 -0.042 0.000 1.044 340 F HN 0.558 nan 8.300 nan 0.000 0.560 341 G N 3.377 112.092 108.800 -0.141 0.000 2.195 341 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.246 341 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.246 341 G C 0.193 175.146 174.900 0.089 0.000 0.984 341 G CA -0.123 45.014 45.100 0.061 0.000 0.633 341 G HN 1.269 nan 8.290 nan 0.000 0.525 342 A N 0.235 123.107 122.820 0.086 0.000 2.407 342 A HA 0.576 4.896 4.320 -0.001 0.000 0.248 342 A C 0.516 178.278 177.584 0.297 0.000 1.082 342 A CA 0.632 52.782 52.037 0.188 0.000 0.785 342 A CB 0.353 19.454 19.000 0.168 0.000 1.020 342 A HN 0.631 nan 8.150 nan 0.000 0.489 343 E N 0.934 121.290 120.200 0.261 0.000 2.257 343 E HA 0.176 4.526 4.350 -0.001 0.000 0.278 343 E C -1.277 175.494 176.600 0.285 0.000 1.049 343 E CA -0.174 56.354 56.400 0.214 0.000 0.876 343 E CB 0.302 30.088 29.700 0.144 0.000 1.035 343 E HN 0.562 nan 8.360 nan 0.000 0.419 344 Y N 5.195 125.488 120.300 -0.012 0.000 2.319 344 Y HA 0.135 4.685 4.550 -0.001 0.000 0.328 344 Y C 0.130 176.025 175.900 -0.009 0.000 1.133 344 Y CA 0.105 58.086 58.100 -0.199 0.000 1.265 344 Y CB 0.570 38.690 38.460 -0.566 0.000 1.218 344 Y HN 0.564 nan 8.280 nan 0.000 0.508 345 L N 2.440 123.339 121.223 -0.540 0.000 3.087 345 L HA 0.372 4.712 4.340 -0.001 0.000 0.169 345 L C -0.562 175.934 176.870 -0.624 0.000 1.276 345 L CA -0.128 54.480 54.840 -0.387 0.000 0.865 345 L CB 0.061 41.989 42.059 -0.217 0.000 1.368 345 L HN 0.626 nan 8.230 nan 0.000 0.548 346 D N -1.613 118.401 120.400 -0.643 0.000 2.664 346 D HA 0.219 4.859 4.640 -0.001 0.000 0.292 346 D C 0.558 176.649 176.300 -0.348 0.000 1.214 346 D CA -0.683 53.021 54.000 -0.494 0.000 0.932 346 D CB 0.695 41.389 40.800 -0.177 0.000 1.420 346 D HN 0.240 nan 8.370 nan 0.000 0.471 347 M N -0.882 118.606 119.600 -0.186 0.000 2.460 347 M HA 0.009 4.488 4.480 -0.001 0.000 0.263 347 M C 0.291 176.496 176.300 -0.159 0.000 1.071 347 M CA 1.103 56.340 55.300 -0.105 0.000 1.096 347 M CB -0.343 32.157 32.600 -0.167 0.000 1.408 347 M HN 0.322 nan 8.290 nan 0.000 0.463 348 H N 0.911 119.974 119.070 -0.012 0.000 2.562 348 H HA 0.435 4.991 4.556 -0.001 0.000 0.267 348 H C 1.000 176.260 175.328 -0.113 0.000 0.959 348 H CA 0.465 56.492 56.048 -0.036 0.000 1.204 348 H CB -0.261 29.477 29.762 -0.041 0.000 1.430 348 H HN 0.503 nan 8.280 nan 0.000 0.545 349 A N 1.439 124.179 122.820 -0.133 0.000 2.448 349 A HA 0.014 4.334 4.320 -0.001 0.000 0.239 349 A C 0.224 177.483 177.584 -0.541 0.000 1.080 349 A CA -0.159 51.628 52.037 -0.417 0.000 0.779 349 A CB 0.197 18.763 19.000 -0.724 0.000 1.026 349 A HN 0.163 nan 8.150 nan 0.000 0.499 350 D N 0.332 120.427 120.400 -0.508 0.000 2.359 350 D HA 0.339 4.979 4.640 -0.001 0.000 0.230 350 D C -0.673 175.358 176.300 -0.449 0.000 1.118 350 D CA 0.049 53.846 54.000 -0.338 0.000 0.844 350 D CB 0.279 40.980 40.800 -0.164 0.000 1.059 350 D HN 0.415 nan 8.370 nan 0.000 0.493 351 Y N 1.342 121.574 120.300 -0.114 0.000 2.507 351 Y HA 0.138 4.687 4.550 -0.001 0.000 0.254 351 Y C 1.096 176.951 175.900 -0.075 0.000 1.171 351 Y CA -0.348 57.613 58.100 -0.232 0.000 1.238 351 Y CB 0.239 38.293 38.460 -0.676 0.000 1.148 351 Y HN 0.180 nan 8.280 nan 0.000 0.525 352 T N 0.764 115.403 114.554 0.142 0.000 2.905 352 T HA 0.247 4.597 4.350 -0.001 0.000 0.299 352 T C 1.333 176.123 174.700 0.150 0.000 1.024 352 T CA 1.390 63.603 62.100 0.188 0.000 1.151 352 T CB 0.180 69.112 68.868 0.107 0.000 0.987 352 T HN 0.739 nan 8.240 nan 0.000 0.535 353 G N 1.081 109.976 108.800 0.158 0.000 2.168 353 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.263 353 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.263 353 G C 0.080 175.056 174.900 0.126 0.000 0.977 353 G CA 0.508 45.675 45.100 0.112 0.000 0.659 353 G HN 1.087 nan 8.290 nan 0.000 0.533 354 K N -0.130 120.384 120.400 0.190 0.000 2.292 354 K HA 0.989 5.308 4.320 -0.001 0.000 0.257 354 K C 1.422 178.139 176.600 0.195 0.000 0.940 354 K CA 0.902 57.297 56.287 0.181 0.000 0.811 354 K CB 1.276 33.899 32.500 0.205 0.000 1.120 354 K HN 2.231 nan 8.250 nan 0.000 0.428 355 G N 0.363 109.243 108.800 0.132 0.000 2.741 355 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.222 355 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.222 355 G C -0.343 174.607 174.900 0.084 0.000 1.364 355 G CA -0.204 44.959 45.100 0.104 0.000 0.866 355 G HN 1.128 nan 8.290 nan 0.000 0.555 356 I N 0.670 121.290 120.570 0.084 0.000 2.339 356 I HA 0.245 4.415 4.170 -0.001 0.000 0.290 356 I C -0.361 175.750 176.117 -0.010 0.000 0.994 356 I CA -0.514 60.809 61.300 0.038 0.000 1.191 356 I CB 1.737 39.756 38.000 0.031 0.000 1.343 356 I HN 0.468 nan 8.210 nan 0.000 0.458 357 D N 6.440 126.811 120.400 -0.047 0.000 2.470 357 D HA 0.068 4.708 4.640 -0.001 0.000 0.226 357 D C 1.053 177.320 176.300 -0.054 0.000 1.196 357 D CA 0.192 54.142 54.000 -0.083 0.000 0.979 357 D CB 0.667 41.415 40.800 -0.086 0.000 1.059 357 D HN 0.502 nan 8.370 nan 0.000 0.515 358 Q N 1.483 121.253 119.800 -0.050 0.000 2.030 358 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 358 Q C 1.755 177.707 176.000 -0.081 0.000 0.986 358 Q CA 1.033 56.782 55.803 -0.091 0.000 0.843 358 Q CB 0.064 28.723 28.738 -0.132 0.000 0.904 358 Q HN 0.428 nan 8.270 nan 0.000 0.420 359 L N 0.708 121.908 121.223 -0.038 0.000 2.017 359 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 359 L C 2.203 179.076 176.870 0.005 0.000 1.073 359 L CA 2.189 57.029 54.840 -0.001 0.000 0.745 359 L CB -0.866 41.252 42.059 0.098 0.000 0.894 359 L HN 0.150 nan 8.230 nan 0.000 0.432 360 A N -1.013 121.807 122.820 -0.000 0.000 1.902 360 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 360 A C 2.187 179.759 177.584 -0.020 0.000 1.181 360 A CA 1.770 53.804 52.037 -0.006 0.000 0.623 360 A CB -0.642 18.352 19.000 -0.009 0.000 0.818 360 A HN 0.599 nan 8.150 nan 0.000 0.443 361 E N -0.553 119.629 120.200 -0.030 0.000 2.077 361 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 361 E C 1.816 178.394 176.600 -0.037 0.000 0.989 361 E CA 1.101 57.480 56.400 -0.035 0.000 0.800 361 E CB -0.203 29.470 29.700 -0.046 0.000 0.746 361 E HN 0.508 nan 8.360 nan 0.000 0.452 362 I N 0.880 121.427 120.570 -0.038 0.000 2.439 362 I HA -0.180 3.990 4.170 -0.001 0.000 0.251 362 I C 2.263 178.353 176.117 -0.044 0.000 1.139 362 I CA 0.979 62.265 61.300 -0.025 0.000 1.438 362 I CB -0.746 37.261 38.000 0.013 0.000 1.085 362 I HN 0.125 nan 8.210 nan 0.000 0.427 363 I N 0.729 121.267 120.570 -0.053 0.000 2.202 363 I HA -0.319 3.850 4.170 -0.001 0.000 0.242 363 I C 2.321 178.402 176.117 -0.060 0.000 1.091 363 I CA 1.390 62.643 61.300 -0.079 0.000 1.368 363 I CB -0.419 37.549 38.000 -0.053 0.000 1.058 363 I HN 0.241 nan 8.210 nan 0.000 0.410 364 N N 1.074 119.750 118.700 -0.040 0.000 2.061 364 N HA -0.261 4.479 4.740 -0.001 0.000 0.193 364 N C 1.989 177.478 175.510 -0.035 0.000 1.030 364 N CA 1.615 54.646 53.050 -0.033 0.000 0.856 364 N CB -0.146 38.327 38.487 -0.024 0.000 1.023 364 N HN 0.086 nan 8.380 nan 0.000 0.424 365 R N -0.123 120.355 120.500 -0.035 0.000 2.120 365 R HA 0.040 4.379 4.340 -0.001 0.000 0.234 365 R C 2.052 178.329 176.300 -0.039 0.000 1.123 365 R CA 0.993 57.074 56.100 -0.032 0.000 0.975 365 R CB -0.207 30.076 30.300 -0.028 0.000 0.866 365 R HN 0.335 nan 8.270 nan 0.000 0.446 366 I N 0.661 121.198 120.570 -0.054 0.000 2.179 366 I HA -0.303 3.866 4.170 -0.001 0.000 0.242 366 I C 2.077 178.158 176.117 -0.060 0.000 1.088 366 I CA 1.537 62.795 61.300 -0.069 0.000 1.357 366 I CB -0.203 37.725 38.000 -0.121 0.000 1.051 366 I HN 0.141 nan 8.210 nan 0.000 0.409 367 K N -0.262 120.105 120.400 -0.055 0.000 2.147 367 K HA -0.133 4.186 4.320 -0.001 0.000 0.205 367 K C 1.952 178.532 176.600 -0.034 0.000 1.049 367 K CA 1.642 57.904 56.287 -0.042 0.000 0.936 367 K CB -0.159 32.320 32.500 -0.036 0.000 0.722 367 K HN 0.273 nan 8.250 nan 0.000 0.446 368 T N -0.343 114.191 114.554 -0.032 0.000 3.023 368 T HA 0.020 4.370 4.350 -0.001 0.000 0.249 368 T C 0.090 174.775 174.700 -0.025 0.000 1.050 368 T CA 0.365 62.449 62.100 -0.026 0.000 1.088 368 T CB 0.173 69.027 68.868 -0.023 0.000 0.946 368 T HN 0.068 nan 8.240 nan 0.000 0.480 369 N N 0.751 119.433 118.700 -0.030 0.000 2.785 369 N HA 0.198 4.938 4.740 -0.001 0.000 0.224 369 N C -2.500 172.987 175.510 -0.038 0.000 1.448 369 N CA -1.340 51.692 53.050 -0.030 0.000 0.748 369 N CB 1.243 39.717 38.487 -0.023 0.000 1.385 369 N HN -0.065 nan 8.380 nan 0.000 0.538 370 P HA -0.049 nan 4.420 nan 0.000 0.225 370 P C 0.260 177.506 177.300 -0.090 0.000 1.148 370 P CA 0.910 63.969 63.100 -0.068 0.000 0.779 370 P CB 0.380 32.035 31.700 -0.074 0.000 0.780 371 N N 0.123 118.779 118.700 -0.073 0.000 2.461 371 N HA -0.039 4.700 4.740 -0.001 0.000 0.188 371 N C 0.330 175.815 175.510 -0.041 0.000 1.134 371 N CA 0.250 53.254 53.050 -0.076 0.000 0.878 371 N CB -0.449 38.006 38.487 -0.052 0.000 0.972 371 N HN 0.258 nan 8.380 nan 0.000 0.456 372 D N 0.938 121.321 120.400 -0.028 0.000 2.525 372 D HA -0.065 4.575 4.640 -0.001 0.000 0.235 372 D C 0.658 176.968 176.300 0.016 0.000 1.137 372 D CA 0.396 54.392 54.000 -0.006 0.000 0.868 372 D CB 0.701 41.496 40.800 -0.008 0.000 1.180 372 D HN 0.032 nan 8.370 nan 0.000 0.465 373 R N 2.967 123.486 120.500 0.032 0.000 2.466 373 R HA 0.199 4.539 4.340 -0.001 0.000 0.279 373 R C 0.318 176.650 176.300 0.054 0.000 0.976 373 R CA -0.018 56.121 56.100 0.065 0.000 1.081 373 R CB 0.425 30.766 30.300 0.069 0.000 1.215 373 R HN 0.322 nan 8.270 nan 0.000 0.546 374 R N 0.641 121.158 120.500 0.029 0.000 2.727 374 R HA 0.246 4.586 4.340 -0.001 0.000 0.410 374 R C -0.399 175.887 176.300 -0.023 0.000 1.101 374 R CA -0.179 55.923 56.100 0.003 0.000 1.045 374 R CB 0.609 30.903 30.300 -0.009 0.000 1.380 374 R HN -0.020 nan 8.270 nan 0.000 0.587 375 L N 1.974 123.203 121.223 0.010 0.000 2.423 375 L HA 0.357 4.696 4.340 -0.001 0.000 0.249 375 L C -0.298 176.535 176.870 -0.062 0.000 1.276 375 L CA 0.216 55.075 54.840 0.032 0.000 1.199 375 L CB -0.189 41.961 42.059 0.153 0.000 1.407 375 L HN 0.158 nan 8.230 nan 0.000 0.410 376 I N 0.709 121.148 120.570 -0.217 0.000 2.509 376 I HA 0.387 4.556 4.170 -0.001 0.000 0.293 376 I C -0.477 175.270 176.117 -0.618 0.000 1.020 376 I CA -0.815 60.187 61.300 -0.497 0.000 1.088 376 I CB 2.674 40.382 38.000 -0.487 0.000 1.267 376 I HN -0.098 nan 8.210 nan 0.000 0.430 377 V N 5.344 124.641 119.914 -1.029 0.000 2.378 377 V HA 0.256 4.376 4.120 -0.001 0.000 0.288 377 V C -0.536 175.027 176.094 -0.885 0.000 1.016 377 V CA -0.546 61.147 62.300 -1.012 0.000 0.840 377 V CB 1.569 32.475 31.823 -1.528 0.000 0.994 377 V HN 0.831 nan 8.190 nan 0.000 0.431 378 C N 4.095 123.152 119.300 -0.406 0.000 2.298 378 C HA 0.510 4.969 4.460 -0.001 0.000 0.323 378 C C 1.581 176.749 174.990 0.297 0.000 1.284 378 C CA -0.110 58.897 59.018 -0.019 0.000 1.577 378 C CB 0.885 28.695 27.740 0.117 0.000 2.249 378 C HN 0.957 nan 8.230 nan 0.000 0.497 379 S N 3.663 119.620 115.700 0.428 0.000 2.524 379 S HA 0.062 4.532 4.470 -0.001 0.000 0.216 379 S C 0.600 175.413 174.600 0.354 0.000 0.987 379 S CA -0.249 58.214 58.200 0.438 0.000 0.909 379 S CB 0.019 63.506 63.200 0.479 0.000 0.781 379 S HN 0.900 nan 8.310 nan 0.000 0.521 380 W N 4.673 126.132 121.300 0.264 0.000 1.438 380 W HA 0.251 4.910 4.660 -0.001 0.000 0.455 380 W C -0.305 176.350 176.519 0.225 0.000 0.656 380 W CA -0.566 56.892 57.345 0.188 0.000 2.049 380 W CB -0.657 28.904 29.460 0.168 0.000 1.683 380 W HN 0.096 nan 8.180 nan 0.000 0.228 381 N N 2.426 121.151 118.700 0.042 0.000 2.415 381 N HA -0.016 4.724 4.740 -0.001 0.000 0.250 381 N C 0.850 176.230 175.510 -0.217 0.000 1.127 381 N CA 0.192 53.199 53.050 -0.072 0.000 0.945 381 N CB 1.170 39.324 38.487 -0.556 0.000 1.196 381 N HN 0.090 nan 8.380 nan 0.000 0.499 382 V N 2.910 122.789 119.914 -0.058 0.000 2.490 382 V HA -0.189 3.931 4.120 -0.001 0.000 0.250 382 V C 2.024 178.054 176.094 -0.107 0.000 1.061 382 V CA 1.612 63.852 62.300 -0.100 0.000 1.064 382 V CB -0.477 31.406 31.823 0.100 0.000 0.670 382 V HN 0.610 nan 8.190 nan 0.000 0.461 383 S N -0.226 115.430 115.700 -0.073 0.000 2.447 383 S HA -0.143 4.327 4.470 -0.001 0.000 0.233 383 S C 1.453 175.985 174.600 -0.113 0.000 1.006 383 S CA 1.220 59.380 58.200 -0.068 0.000 0.957 383 S CB -0.226 62.952 63.200 -0.036 0.000 0.773 383 S HN 0.607 nan 8.310 nan 0.000 0.507 384 D N 0.747 121.035 120.400 -0.187 0.000 2.360 384 D HA 0.233 4.873 4.640 -0.001 0.000 0.210 384 D C 1.623 177.790 176.300 -0.222 0.000 1.047 384 D CA -0.011 53.867 54.000 -0.205 0.000 0.854 384 D CB -0.094 40.549 40.800 -0.262 0.000 0.936 384 D HN 0.264 nan 8.370 nan 0.000 0.514 385 L N 0.930 121.996 121.223 -0.262 0.000 2.021 385 L HA -0.267 4.073 4.340 -0.001 0.000 0.215 385 L C 2.700 179.500 176.870 -0.117 0.000 1.074 385 L CA 2.044 56.718 54.840 -0.277 0.000 0.760 385 L CB -0.767 41.089 42.059 -0.339 0.000 0.889 385 L HN 0.120 nan 8.230 nan 0.000 0.433 386 K N 0.675 121.037 120.400 -0.063 0.000 2.442 386 K HA -0.157 4.162 4.320 -0.001 0.000 0.198 386 K C 1.843 178.531 176.600 0.147 0.000 1.044 386 K CA 1.536 57.829 56.287 0.011 0.000 0.948 386 K CB -0.578 31.912 32.500 -0.017 0.000 0.762 386 K HN 0.483 nan 8.250 nan 0.000 0.472 387 K N -0.941 119.528 120.400 0.115 0.000 2.358 387 K HA 0.323 4.643 4.320 -0.001 0.000 0.197 387 K C 0.211 176.768 176.600 -0.072 0.000 1.025 387 K CA -0.202 56.194 56.287 0.181 0.000 1.104 387 K CB 0.488 32.973 32.500 -0.025 0.000 0.855 387 K HN 0.307 nan 8.250 nan 0.000 0.531 388 M N 0.394 119.960 119.600 -0.056 0.000 2.277 388 M HA 0.243 4.723 4.480 -0.001 0.000 0.350 388 M C 1.141 177.407 176.300 -0.056 0.000 1.180 388 M CA -0.363 54.826 55.300 -0.184 0.000 1.103 388 M CB 1.581 34.068 32.600 -0.189 0.000 1.577 388 M HN 0.081 nan 8.290 nan 0.000 0.459 389 A N 3.370 126.124 122.820 -0.110 0.000 1.841 389 A HA 0.104 4.424 4.320 -0.001 0.000 0.216 389 A C 0.818 178.586 177.584 0.306 0.000 1.199 389 A CA 1.992 54.111 52.037 0.136 0.000 0.621 389 A CB -0.804 18.294 19.000 0.164 0.000 0.835 389 A HN 0.784 nan 8.150 nan 0.000 0.445 390 L N -0.240 121.126 121.223 0.237 0.000 2.365 390 L HA 0.734 5.074 4.340 -0.001 0.000 0.273 390 L C -2.666 174.270 176.870 0.109 0.000 1.000 390 L CA -2.259 52.712 54.840 0.218 0.000 0.819 390 L CB 0.981 43.168 42.059 0.213 0.000 1.284 390 L HN 0.288 nan 8.230 nan 0.000 0.418 391 P HA 0.376 nan 4.420 nan 0.000 0.271 391 P C -2.690 174.649 177.300 0.066 0.000 1.218 391 P CA -1.360 61.712 63.100 -0.046 0.000 0.780 391 P CB 0.134 31.805 31.700 -0.050 0.000 0.901 392 P HA 0.009 nan 4.420 nan 0.000 0.267 392 P C 0.487 178.017 177.300 0.384 0.000 1.200 392 P CA -0.111 62.977 63.100 -0.021 0.000 0.772 392 P CB 0.551 32.171 31.700 -0.134 0.000 0.855 393 C N 1.808 121.368 119.300 0.432 0.000 2.520 393 C HA 0.075 4.535 4.460 -0.001 0.000 0.291 393 C C 1.106 176.390 174.990 0.490 0.000 1.364 393 C CA 0.346 59.631 59.018 0.446 0.000 1.781 393 C CB -1.524 26.485 27.740 0.449 0.000 2.171 393 C HN 0.725 nan 8.230 nan 0.000 0.516 394 H N -0.551 118.886 119.070 0.612 0.000 2.908 394 H HA 0.362 4.918 4.556 -0.000 0.000 0.269 394 H C 0.756 176.483 175.328 0.664 0.000 1.303 394 H CA -0.332 56.025 56.048 0.516 0.000 1.341 394 H CB -0.408 29.590 29.762 0.392 0.000 1.519 394 H HN 0.336 nan 8.280 nan 0.000 0.505 395 C N 2.313 121.974 119.300 0.600 0.000 2.495 395 C HA 0.196 4.656 4.460 -0.001 0.000 0.275 395 C C 0.245 175.611 174.990 0.628 0.000 1.392 395 C CA -0.279 59.096 59.018 0.594 0.000 1.766 395 C CB -1.118 26.879 27.740 0.429 0.000 1.933 395 C HN 0.800 nan 8.230 nan 0.000 0.519 396 F N 1.301 121.470 119.950 0.365 0.000 2.670 396 F HA 0.544 5.071 4.527 -0.000 0.000 0.332 396 F C -1.189 174.741 175.800 0.217 0.000 1.179 396 F CA -1.580 56.529 58.000 0.182 0.000 1.076 396 F CB 0.768 39.811 39.000 0.072 0.000 1.322 396 F HN 0.178 nan 8.300 nan 0.000 0.515 397 F N 3.125 122.872 119.950 -0.338 0.000 2.603 397 F HA 0.775 5.302 4.527 -0.000 0.000 0.317 397 F C -1.468 173.988 175.800 -0.573 0.000 1.066 397 F CA -0.924 56.863 58.000 -0.356 0.000 0.941 397 F CB 1.975 40.784 39.000 -0.318 0.000 1.291 397 F HN 0.546 nan 8.300 nan 0.000 0.472 398 Q N 1.983 121.612 119.800 -0.284 0.000 2.305 398 Q HA 0.492 4.831 4.340 -0.001 0.000 0.271 398 Q C -2.127 173.754 176.000 -0.197 0.000 1.046 398 Q CA -0.661 54.974 55.803 -0.281 0.000 0.798 398 Q CB 2.073 30.764 28.738 -0.079 0.000 1.286 398 Q HN 0.703 nan 8.270 nan 0.000 0.435 399 F N 2.134 122.144 119.950 0.100 0.000 2.378 399 F HA 0.531 5.057 4.527 -0.000 0.000 0.325 399 F C -0.452 175.464 175.800 0.193 0.000 1.097 399 F CA -0.345 57.745 58.000 0.149 0.000 1.079 399 F CB 0.969 40.029 39.000 0.100 0.000 1.240 399 F HN 0.503 nan 8.300 nan 0.000 0.519 400 Y N 0.309 120.772 120.300 0.272 0.000 2.513 400 Y HA 0.667 5.217 4.550 -0.001 0.000 0.340 400 Y C -1.912 174.063 175.900 0.125 0.000 1.055 400 Y CA -1.084 57.106 58.100 0.151 0.000 1.020 400 Y CB 1.625 40.155 38.460 0.116 0.000 1.301 400 Y HN 0.328 nan 8.280 nan 0.000 0.453 401 V N 4.616 124.256 119.914 -0.457 0.000 2.531 401 V HA 0.686 4.805 4.120 -0.001 0.000 0.301 401 V C -0.883 174.930 176.094 -0.470 0.000 1.034 401 V CA -0.540 61.578 62.300 -0.303 0.000 0.865 401 V CB 1.524 33.248 31.823 -0.166 0.000 0.995 401 V HN 0.716 nan 8.190 nan 0.000 0.424 402 S N 3.299 118.886 115.700 -0.189 0.000 2.614 402 S HA 0.423 4.892 4.470 -0.001 0.000 0.275 402 S C -0.409 174.199 174.600 0.012 0.000 1.161 402 S CA -0.470 57.684 58.200 -0.077 0.000 0.969 402 S CB 1.202 64.467 63.200 0.109 0.000 1.059 402 S HN 0.898 nan 8.310 nan 0.000 0.482 403 D N 3.309 123.711 120.400 0.004 0.000 2.697 403 D HA -0.197 4.443 4.640 -0.001 0.000 0.235 403 D C 0.184 176.493 176.300 0.016 0.000 1.167 403 D CA 1.564 55.574 54.000 0.017 0.000 0.656 403 D CB -1.406 39.415 40.800 0.036 0.000 1.025 403 D HN 1.009 nan 8.370 nan 0.000 0.419 404 N N -1.139 117.560 118.700 -0.002 0.000 2.741 404 N HA -0.239 4.501 4.740 -0.001 0.000 0.251 404 N C -0.678 174.839 175.510 0.013 0.000 1.112 404 N CA 1.312 54.361 53.050 -0.001 0.000 0.750 404 N CB -0.193 38.297 38.487 0.004 0.000 1.119 404 N HN 0.447 nan 8.380 nan 0.000 0.561 405 K N 0.575 120.991 120.400 0.027 0.000 2.270 405 K HA 0.482 4.802 4.320 -0.001 0.000 0.255 405 K C -0.830 175.812 176.600 0.070 0.000 0.936 405 K CA -0.903 55.417 56.287 0.054 0.000 0.809 405 K CB 2.388 34.935 32.500 0.079 0.000 1.131 405 K HN -0.053 nan 8.250 nan 0.000 0.427 406 L N 1.585 122.855 121.223 0.079 0.000 2.275 406 L HA 0.307 4.647 4.340 -0.001 0.000 0.288 406 L C -0.630 176.364 176.870 0.205 0.000 1.046 406 L CA 0.327 55.234 54.840 0.112 0.000 0.805 406 L CB 1.500 43.584 42.059 0.041 0.000 1.193 406 L HN 0.546 nan 8.230 nan 0.000 0.426 407 S N 3.248 119.129 115.700 0.302 0.000 2.664 407 S HA 0.697 5.166 4.470 -0.001 0.000 0.304 407 S C -1.281 173.578 174.600 0.431 0.000 1.099 407 S CA -0.569 57.832 58.200 0.334 0.000 1.003 407 S CB 1.599 64.985 63.200 0.311 0.000 1.092 407 S HN 0.819 nan 8.310 nan 0.000 0.525 408 C N 3.185 122.707 119.300 0.370 0.000 2.686 408 C HA 0.758 5.218 4.460 -0.001 0.000 0.318 408 C C -0.785 174.347 174.990 0.238 0.000 1.160 408 C CA -0.668 58.527 59.018 0.296 0.000 1.396 408 C CB 0.570 28.499 27.740 0.316 0.000 1.924 408 C HN 0.986 nan 8.230 nan 0.000 0.471 409 M N 7.555 127.222 119.600 0.112 0.000 2.383 409 M HA 0.654 5.134 4.480 -0.001 0.000 0.325 409 M C -1.200 175.165 176.300 0.107 0.000 1.092 409 M CA -0.352 54.983 55.300 0.059 0.000 0.961 409 M CB 1.602 34.219 32.600 0.027 0.000 1.672 409 M HN 0.800 nan 8.290 nan 0.000 0.438 410 M N 4.228 123.879 119.600 0.086 0.000 2.395 410 M HA 0.323 4.803 4.480 -0.001 0.000 0.307 410 M C -1.983 174.422 176.300 0.175 0.000 1.091 410 M CA -0.373 54.987 55.300 0.101 0.000 0.919 410 M CB 1.765 34.262 32.600 -0.171 0.000 1.662 410 M HN 0.979 nan 8.290 nan 0.000 0.440 411 H N 3.009 122.198 119.070 0.199 0.000 2.552 411 H HA 0.366 4.921 4.556 -0.000 0.000 0.311 411 H C -1.101 174.363 175.328 0.228 0.000 1.071 411 H CA 0.008 56.167 56.048 0.184 0.000 1.307 411 H CB 0.978 30.828 29.762 0.148 0.000 1.416 411 H HN 0.680 nan 8.280 nan 0.000 0.464 412 Q N 5.189 124.989 119.800 0.000 0.000 2.381 412 Q HA 0.169 4.509 4.340 -0.001 0.000 0.263 412 Q C 0.847 176.889 176.000 0.069 0.000 1.030 412 Q CA -0.819 55.101 55.803 0.196 0.000 0.772 412 Q CB 0.741 29.679 28.738 0.334 0.000 1.232 412 Q HN 0.933 nan 8.270 nan 0.000 0.476 413 R N 1.304 121.955 120.500 0.253 0.000 2.115 413 R HA 0.087 4.427 4.340 -0.001 0.000 0.226 413 R C 0.318 176.751 176.300 0.222 0.000 1.100 413 R CA 0.717 56.962 56.100 0.240 0.000 0.980 413 R CB 0.268 30.701 30.300 0.222 0.000 0.875 413 R HN 0.286 nan 8.270 nan 0.000 0.445 414 S N -0.230 115.621 115.700 0.253 0.000 2.672 414 S HA 0.452 4.922 4.470 -0.001 0.000 0.291 414 S C -1.441 173.314 174.600 0.259 0.000 1.145 414 S CA -0.877 57.499 58.200 0.293 0.000 1.013 414 S CB 1.558 64.954 63.200 0.327 0.000 1.017 414 S HN 0.350 nan 8.310 nan 0.000 0.487 415 C N 4.126 123.509 119.300 0.138 0.000 2.437 415 C HA 0.426 4.886 4.460 -0.001 0.000 0.307 415 C C -0.203 174.503 174.990 -0.473 0.000 1.093 415 C CA -1.214 57.770 59.018 -0.056 0.000 1.463 415 C CB -0.102 27.603 27.740 -0.057 0.000 1.926 415 C HN 0.867 nan 8.230 nan 0.000 0.420 416 D N 2.264 122.474 120.400 -0.316 0.000 2.348 416 D HA 0.135 4.775 4.640 -0.001 0.000 0.259 416 D C 0.894 177.129 176.300 -0.109 0.000 1.296 416 D CA 0.065 53.885 54.000 -0.300 0.000 0.931 416 D CB 0.647 41.533 40.800 0.143 0.000 1.067 416 D HN 0.559 nan 8.370 nan 0.000 0.503 417 L N 2.917 124.036 121.223 -0.173 0.000 2.395 417 L HA 0.100 4.440 4.340 -0.001 0.000 0.218 417 L C 2.342 179.242 176.870 0.049 0.000 1.130 417 L CA 0.607 55.408 54.840 -0.066 0.000 0.826 417 L CB 0.017 41.935 42.059 -0.235 0.000 0.941 417 L HN 0.441 nan 8.230 nan 0.000 0.451 418 G N -0.113 108.722 108.800 0.057 0.000 2.404 418 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.213 418 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.213 418 G C 1.353 176.230 174.900 -0.039 0.000 1.189 418 G CA 0.410 45.528 45.100 0.031 0.000 0.796 418 G HN 0.142 nan 8.290 nan 0.000 0.532 419 L N -0.262 120.984 121.223 0.038 0.000 2.624 419 L HA 0.434 4.773 4.340 -0.001 0.000 0.222 419 L C 2.567 179.509 176.870 0.119 0.000 1.046 419 L CA 1.444 56.316 54.840 0.054 0.000 0.872 419 L CB -0.358 41.784 42.059 0.139 0.000 1.190 419 L HN 0.202 nan 8.230 nan 0.000 0.487 420 G N -1.066 107.836 108.800 0.170 0.000 2.417 420 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.212 420 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.212 420 G C 1.442 176.451 174.900 0.182 0.000 1.187 420 G CA 0.877 46.129 45.100 0.253 0.000 0.804 420 G HN 0.133 nan 8.290 nan 0.000 0.534 421 V N 2.181 122.171 119.914 0.127 0.000 2.332 421 V HA -0.114 4.005 4.120 -0.001 0.000 0.248 421 V C 0.192 176.317 176.094 0.051 0.000 1.055 421 V CA 2.162 64.568 62.300 0.177 0.000 1.038 421 V CB -1.131 30.833 31.823 0.234 0.000 0.651 421 V HN 0.275 nan 8.190 nan 0.000 0.450 422 P HA -0.117 nan 4.420 nan 0.000 0.216 422 P C 1.530 178.618 177.300 -0.353 0.000 1.150 422 P CA 1.463 64.300 63.100 -0.438 0.000 0.837 422 P CB -0.125 31.192 31.700 -0.639 0.000 0.786 423 F N -0.310 119.595 119.950 -0.074 0.000 2.146 423 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 423 F C 2.147 177.907 175.800 -0.066 0.000 1.096 423 F CA 1.045 58.999 58.000 -0.075 0.000 1.275 423 F CB -1.621 37.356 39.000 -0.038 0.000 1.008 423 F HN -0.053 nan 8.300 nan 0.000 0.480 424 N N 0.731 119.541 118.700 0.184 0.000 2.120 424 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 424 N C 2.099 177.624 175.510 0.024 0.000 1.024 424 N CA 1.518 54.653 53.050 0.141 0.000 0.852 424 N CB -0.478 38.161 38.487 0.255 0.000 1.003 424 N HN 0.292 nan 8.380 nan 0.000 0.424 425 I N 1.451 122.028 120.570 0.010 0.000 2.163 425 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 425 I C 2.501 178.391 176.117 -0.378 0.000 1.085 425 I CA 1.119 62.366 61.300 -0.087 0.000 1.347 425 I CB -0.369 37.510 38.000 -0.203 0.000 1.044 425 I HN 0.067 nan 8.210 nan 0.000 0.408 426 A N -0.248 122.357 122.820 -0.358 0.000 1.877 426 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 426 A C 2.490 179.988 177.584 -0.143 0.000 1.186 426 A CA 2.208 54.050 52.037 -0.325 0.000 0.620 426 A CB -0.882 18.037 19.000 -0.135 0.000 0.822 426 A HN 0.400 nan 8.150 nan 0.000 0.443 427 S N -1.479 114.126 115.700 -0.159 0.000 2.351 427 S HA -0.212 4.258 4.470 -0.001 0.000 0.220 427 S C 1.888 176.237 174.600 -0.418 0.000 1.035 427 S CA 1.858 59.913 58.200 -0.242 0.000 1.031 427 S CB -0.555 62.493 63.200 -0.255 0.000 0.928 427 S HN 0.613 nan 8.310 nan 0.000 0.433 428 Y N 1.623 121.607 120.300 -0.525 0.000 2.509 428 Y HA 0.067 4.617 4.550 -0.001 0.000 0.293 428 Y C 2.868 178.292 175.900 -0.794 0.000 1.133 428 Y CA 0.961 58.606 58.100 -0.758 0.000 1.283 428 Y CB -0.234 37.573 38.460 -1.089 0.000 1.001 428 Y HN 0.258 nan 8.280 nan 0.000 0.555 429 S N 0.016 115.371 115.700 -0.575 0.000 2.371 429 S HA -0.131 4.338 4.470 -0.001 0.000 0.224 429 S C 2.005 176.574 174.600 -0.052 0.000 1.029 429 S CA 1.174 59.201 58.200 -0.289 0.000 0.978 429 S CB -0.333 62.675 63.200 -0.319 0.000 0.833 429 S HN 0.378 nan 8.310 nan 0.000 0.466 430 I N 1.143 121.696 120.570 -0.028 0.000 2.202 430 I HA -0.166 4.004 4.170 -0.001 0.000 0.242 430 I C 2.326 178.316 176.117 -0.212 0.000 1.091 430 I CA 0.788 62.008 61.300 -0.133 0.000 1.368 430 I CB -0.346 37.541 38.000 -0.189 0.000 1.058 430 I HN 0.224 nan 8.210 nan 0.000 0.410 431 L N 0.495 121.577 121.223 -0.235 0.000 2.043 431 L HA -0.234 4.105 4.340 -0.001 0.000 0.212 431 L C 2.454 179.272 176.870 -0.086 0.000 1.075 431 L CA 2.163 56.887 54.840 -0.194 0.000 0.752 431 L CB -0.877 41.018 42.059 -0.274 0.000 0.891 431 L HN 0.174 nan 8.230 nan 0.000 0.432 432 T N -0.341 114.193 114.554 -0.032 0.000 2.777 432 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 432 T C 1.881 176.582 174.700 0.002 0.000 1.040 432 T CA 1.234 63.395 62.100 0.103 0.000 1.141 432 T CB -0.468 68.498 68.868 0.163 0.000 0.868 432 T HN 0.536 nan 8.240 nan 0.000 0.444 433 A N 1.133 123.926 122.820 -0.046 0.000 1.930 433 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 433 A C 2.301 179.816 177.584 -0.115 0.000 1.175 433 A CA 1.299 53.297 52.037 -0.066 0.000 0.627 433 A CB -0.617 18.332 19.000 -0.085 0.000 0.815 433 A HN 0.445 nan 8.150 nan 0.000 0.443 434 M N -0.798 118.669 119.600 -0.221 0.000 2.086 434 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 434 M C 2.074 178.335 176.300 -0.066 0.000 1.067 434 M CA 1.463 56.576 55.300 -0.312 0.000 1.116 434 M CB -0.402 31.854 32.600 -0.574 0.000 1.348 434 M HN 0.237 nan 8.290 nan 0.000 0.407 435 V N 0.294 120.151 119.914 -0.096 0.000 2.407 435 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 435 V C 2.593 178.612 176.094 -0.124 0.000 1.055 435 V CA 1.866 64.083 62.300 -0.138 0.000 1.049 435 V CB -1.282 30.329 31.823 -0.353 0.000 0.662 435 V HN 0.516 nan 8.190 nan 0.000 0.455 436 A N -0.514 122.251 122.820 -0.092 0.000 1.933 436 A HA -0.304 4.016 4.320 -0.001 0.000 0.218 436 A C 2.263 179.841 177.584 -0.009 0.000 1.175 436 A CA 2.125 54.131 52.037 -0.051 0.000 0.628 436 A CB -0.477 18.513 19.000 -0.017 0.000 0.814 436 A HN 0.619 nan 8.150 nan 0.000 0.444 437 Q N 0.150 119.967 119.800 0.029 0.000 2.016 437 Q HA -0.132 4.208 4.340 -0.001 0.000 0.200 437 Q C 1.980 178.013 176.000 0.056 0.000 0.978 437 Q CA 2.505 58.349 55.803 0.068 0.000 0.833 437 Q CB -0.371 28.461 28.738 0.157 0.000 0.895 437 Q HN 0.668 nan 8.270 nan 0.000 0.427 438 V N -1.657 118.303 119.914 0.076 0.000 2.759 438 V HA -0.148 3.972 4.120 -0.001 0.000 0.256 438 V C 1.801 177.894 176.094 -0.002 0.000 1.080 438 V CA 1.509 63.833 62.300 0.040 0.000 1.101 438 V CB -0.672 31.190 31.823 0.066 0.000 0.698 438 V HN 0.491 nan 8.190 nan 0.000 0.477 439 C N 1.188 120.476 119.300 -0.021 0.000 2.791 439 C HA 0.629 5.088 4.460 -0.001 0.000 0.270 439 C C 1.965 176.939 174.990 -0.028 0.000 1.257 439 C CA 0.208 59.202 59.018 -0.040 0.000 1.699 439 C CB -1.095 26.600 27.740 -0.076 0.000 1.904 439 C HN 1.030 nan 8.230 nan 0.000 0.603 440 G N 1.245 110.037 108.800 -0.013 0.000 2.198 440 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.257 440 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.257 440 G C -0.224 174.672 174.900 -0.007 0.000 1.042 440 G CA 0.078 45.174 45.100 -0.007 0.000 0.791 440 G HN 0.525 nan 8.290 nan 0.000 0.502 441 L N -0.322 120.895 121.223 -0.010 0.000 2.322 441 L HA 0.786 5.125 4.340 -0.001 0.000 0.269 441 L C 1.379 178.254 176.870 0.009 0.000 1.012 441 L CA -0.707 54.129 54.840 -0.006 0.000 0.815 441 L CB 1.517 43.564 42.059 -0.020 0.000 1.295 441 L HN 0.205 nan 8.230 nan 0.000 0.438 442 G N 0.819 109.630 108.800 0.018 0.000 2.588 442 G HA2 0.486 4.446 3.960 -0.001 0.000 0.278 442 G HA3 0.486 4.446 3.960 -0.001 0.000 0.278 442 G C -0.663 174.262 174.900 0.041 0.000 1.307 442 G CA -0.620 44.498 45.100 0.031 0.000 1.016 442 G HN 0.372 nan 8.290 nan 0.000 0.503 443 L N 0.351 121.606 121.223 0.054 0.000 2.307 443 L HA 0.535 4.875 4.340 -0.001 0.000 0.284 443 L C 1.130 178.056 176.870 0.093 0.000 1.023 443 L CA -0.418 54.466 54.840 0.073 0.000 0.810 443 L CB 1.829 43.929 42.059 0.068 0.000 1.231 443 L HN 0.737 nan 8.230 nan 0.000 0.423 444 G N 2.422 111.295 108.800 0.122 0.000 3.374 444 G HA2 0.347 4.307 3.960 -0.001 0.000 0.200 444 G HA3 0.347 4.307 3.960 -0.001 0.000 0.200 444 G C -0.523 174.466 174.900 0.149 0.000 1.801 444 G CA -0.166 45.016 45.100 0.135 0.000 0.842 444 G HN 0.539 nan 8.290 nan 0.000 0.688 445 E N -0.765 119.538 120.200 0.171 0.000 2.256 445 E HA 0.434 4.783 4.350 -0.001 0.000 0.267 445 E C -1.808 174.952 176.600 0.267 0.000 0.892 445 E CA -0.728 55.779 56.400 0.178 0.000 0.775 445 E CB 2.815 32.576 29.700 0.101 0.000 1.207 445 E HN 0.167 nan 8.360 nan 0.000 0.420 446 F N 2.854 122.887 119.950 0.138 0.000 2.405 446 F HA 0.347 4.873 4.527 -0.001 0.000 0.355 446 F C -1.028 174.861 175.800 0.148 0.000 1.121 446 F CA -0.831 57.254 58.000 0.141 0.000 1.112 446 F CB 0.745 39.830 39.000 0.141 0.000 1.126 446 F HN 0.095 nan 8.300 nan 0.000 0.481 447 V N 6.788 126.443 119.914 -0.432 0.000 2.384 447 V HA 0.273 4.392 4.120 -0.001 0.000 0.287 447 V C -0.751 174.913 176.094 -0.717 0.000 1.020 447 V CA -0.727 61.293 62.300 -0.467 0.000 0.850 447 V CB 1.338 33.034 31.823 -0.211 0.000 0.987 447 V HN 0.813 nan 8.190 nan 0.000 0.436 448 H N 4.655 123.290 119.070 -0.724 0.000 2.587 448 H HA 0.456 5.011 4.556 -0.001 0.000 0.325 448 H C -0.650 174.528 175.328 -0.250 0.000 1.012 448 H CA -0.890 54.833 56.048 -0.542 0.000 1.213 448 H CB 0.948 30.475 29.762 -0.392 0.000 1.431 448 H HN 0.631 nan 8.280 nan 0.000 0.492 449 N N 5.989 124.701 118.700 0.020 0.000 2.422 449 N HA 0.208 4.948 4.740 -0.001 0.000 0.266 449 N C -0.802 174.569 175.510 -0.232 0.000 1.007 449 N CA -0.343 52.624 53.050 -0.138 0.000 0.941 449 N CB 1.665 40.071 38.487 -0.136 0.000 1.115 449 N HN 0.511 nan 8.380 nan 0.000 0.492 450 L N 1.434 122.491 121.223 -0.277 0.000 2.307 450 L HA 0.598 4.938 4.340 -0.001 0.000 0.284 450 L C 1.093 177.788 176.870 -0.292 0.000 1.023 450 L CA -0.604 54.086 54.840 -0.251 0.000 0.810 450 L CB 1.540 43.498 42.059 -0.168 0.000 1.231 450 L HN 0.493 nan 8.230 nan 0.000 0.423 451 A N 2.219 124.883 122.820 -0.260 0.000 2.901 451 A HA 0.051 4.371 4.320 -0.001 0.000 0.212 451 A C 0.503 178.109 177.584 0.036 0.000 2.026 451 A CA 0.121 51.986 52.037 -0.286 0.000 0.806 451 A CB -0.169 18.830 19.000 -0.002 0.000 1.353 451 A HN 0.691 nan 8.150 nan 0.000 0.496 452 D N 1.326 121.901 120.400 0.291 0.000 2.455 452 D HA 0.421 5.060 4.640 -0.001 0.000 0.234 452 D C -0.298 176.169 176.300 0.278 0.000 1.224 452 D CA 0.285 54.495 54.000 0.349 0.000 0.999 452 D CB -0.001 40.983 40.800 0.308 0.000 1.072 452 D HN 0.445 nan 8.370 nan 0.000 0.514 453 A N 5.252 128.194 122.820 0.203 0.000 2.289 453 A HA 0.475 4.795 4.320 -0.001 0.000 0.298 453 A C -0.144 177.486 177.584 0.076 0.000 1.208 453 A CA -0.477 51.596 52.037 0.059 0.000 0.845 453 A CB 0.425 19.469 19.000 0.074 0.000 1.125 453 A HN 0.725 nan 8.150 nan 0.000 0.517 454 H N 0.509 119.555 119.070 -0.039 0.000 2.961 454 H HA 0.650 5.206 4.556 -0.000 0.000 0.371 454 H C -1.853 173.398 175.328 -0.129 0.000 1.190 454 H CA -1.106 54.887 56.048 -0.093 0.000 1.138 454 H CB 1.202 30.856 29.762 -0.180 0.000 1.816 454 H HN 0.419 nan 8.280 nan 0.000 0.551 455 I N 2.611 123.202 120.570 0.036 0.000 2.389 455 I HA 0.156 4.326 4.170 -0.001 0.000 0.288 455 I C -0.657 175.516 176.117 0.094 0.000 0.999 455 I CA -0.868 60.468 61.300 0.060 0.000 1.129 455 I CB 0.991 39.024 38.000 0.056 0.000 1.288 455 I HN 0.397 nan 8.210 nan 0.000 0.444 456 Y N 4.881 125.287 120.300 0.176 0.000 2.497 456 Y HA -0.006 4.544 4.550 -0.001 0.000 0.334 456 Y C 1.606 177.496 175.900 -0.016 0.000 1.199 456 Y CA -0.247 57.855 58.100 0.003 0.000 1.425 456 Y CB 0.738 39.081 38.460 -0.196 0.000 1.291 456 Y HN 0.468 nan 8.280 nan 0.000 0.562 457 V N -0.834 119.182 119.914 0.169 0.000 2.453 457 V HA -0.282 3.838 4.120 -0.001 0.000 0.252 457 V C 1.407 177.564 176.094 0.105 0.000 1.068 457 V CA 2.140 64.541 62.300 0.168 0.000 1.070 457 V CB -0.314 31.560 31.823 0.086 0.000 0.664 457 V HN 0.700 nan 8.190 nan 0.000 0.461 458 D N 0.166 120.564 120.400 -0.002 0.000 2.218 458 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 458 D C 1.857 178.213 176.300 0.094 0.000 0.976 458 D CA 1.781 55.770 54.000 -0.017 0.000 0.853 458 D CB -0.427 40.302 40.800 -0.119 0.000 0.939 458 D HN 0.757 nan 8.370 nan 0.000 0.481 459 H N -0.959 118.190 119.070 0.132 0.000 2.529 459 H HA 0.166 4.722 4.556 -0.000 0.000 0.277 459 H C 1.766 177.121 175.328 0.046 0.000 1.004 459 H CA -0.455 55.650 56.048 0.094 0.000 1.167 459 H CB 0.797 30.632 29.762 0.121 0.000 1.445 459 H HN -0.082 nan 8.280 nan 0.000 0.554 460 V N 0.863 120.860 119.914 0.138 0.000 2.594 460 V HA -0.227 3.893 4.120 -0.001 0.000 0.253 460 V C 1.104 177.196 176.094 -0.002 0.000 1.069 460 V CA 2.041 64.353 62.300 0.020 0.000 1.082 460 V CB -0.123 31.707 31.823 0.012 0.000 0.680 460 V HN 0.524 nan 8.190 nan 0.000 0.469 461 D N 0.313 120.744 120.400 0.051 0.000 2.216 461 D HA 0.088 4.728 4.640 -0.001 0.000 0.208 461 D C 2.191 178.511 176.300 0.033 0.000 0.960 461 D CA 1.045 55.072 54.000 0.044 0.000 0.861 461 D CB -0.358 40.477 40.800 0.058 0.000 0.985 461 D HN 0.373 nan 8.370 nan 0.000 0.493 462 A N 0.786 123.634 122.820 0.047 0.000 1.883 462 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 462 A C 2.320 179.899 177.584 -0.008 0.000 1.186 462 A CA 1.337 53.386 52.037 0.020 0.000 0.624 462 A CB -0.964 18.045 19.000 0.016 0.000 0.822 462 A HN 0.149 nan 8.150 nan 0.000 0.444 463 V N -0.341 119.564 119.914 -0.014 0.000 2.358 463 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 463 V C 2.723 178.773 176.094 -0.074 0.000 1.047 463 V CA 2.400 64.667 62.300 -0.056 0.000 1.035 463 V CB -1.270 30.498 31.823 -0.091 0.000 0.658 463 V HN 0.616 nan 8.190 nan 0.000 0.452 464 T N -0.251 114.264 114.554 -0.066 0.000 2.720 464 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 464 T C 1.945 176.645 174.700 0.000 0.000 1.037 464 T CA 2.165 64.257 62.100 -0.013 0.000 1.144 464 T CB -0.382 68.521 68.868 0.059 0.000 0.864 464 T HN 0.572 nan 8.240 nan 0.000 0.444 465 T N 1.657 116.205 114.554 -0.010 0.000 2.737 465 T HA -0.136 4.213 4.350 -0.001 0.000 0.265 465 T C 2.047 176.713 174.700 -0.057 0.000 1.038 465 T CA 1.390 63.477 62.100 -0.022 0.000 1.144 465 T CB -0.325 68.534 68.868 -0.014 0.000 0.866 465 T HN 0.456 nan 8.240 nan 0.000 0.434 466 Q N 0.862 120.625 119.800 -0.061 0.000 2.061 466 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 466 Q C 2.325 178.263 176.000 -0.103 0.000 0.984 466 Q CA 1.785 57.535 55.803 -0.088 0.000 0.846 466 Q CB -0.430 28.274 28.738 -0.056 0.000 0.902 466 Q HN 0.778 nan 8.270 nan 0.000 0.421 467 I N -2.453 118.076 120.570 -0.068 0.000 2.916 467 I HA 0.041 4.210 4.170 -0.001 0.000 0.267 467 I C 1.860 177.953 176.117 -0.041 0.000 1.263 467 I CA 1.089 62.360 61.300 -0.048 0.000 1.471 467 I CB -0.243 37.736 38.000 -0.035 0.000 1.089 467 I HN 0.096 nan 8.210 nan 0.000 0.468 468 A N 1.220 124.005 122.820 -0.057 0.000 2.169 468 A HA 0.188 4.507 4.320 -0.001 0.000 0.212 468 A C 1.313 178.835 177.584 -0.103 0.000 1.153 468 A CA -0.015 51.990 52.037 -0.053 0.000 0.756 468 A CB -0.259 18.720 19.000 -0.036 0.000 0.813 468 A HN 0.424 nan 8.150 nan 0.000 0.471 469 R N 0.283 120.663 120.500 -0.201 0.000 2.441 469 R HA 0.379 4.718 4.340 -0.001 0.000 0.284 469 R C -0.721 175.390 176.300 -0.315 0.000 1.070 469 R CA -0.567 55.302 56.100 -0.384 0.000 1.047 469 R CB 0.774 30.597 30.300 -0.795 0.000 1.016 469 R HN 0.146 nan 8.270 nan 0.000 0.477 470 I N 5.269 125.705 120.570 -0.224 0.000 2.396 470 I HA 0.156 4.325 4.170 -0.001 0.000 0.289 470 I C -1.844 174.124 176.117 -0.250 0.000 1.056 470 I CA -2.936 58.267 61.300 -0.163 0.000 1.365 470 I CB 0.470 38.414 38.000 -0.093 0.000 1.407 470 I HN 0.329 nan 8.210 nan 0.000 0.509 471 P HA 0.167 nan 4.420 nan 0.000 0.274 471 P C -0.314 176.756 177.300 -0.382 0.000 1.231 471 P CA -0.030 62.773 63.100 -0.494 0.000 0.790 471 P CB 0.685 31.798 31.700 -0.978 0.000 0.951 472 H N 0.697 119.710 119.070 -0.096 0.000 2.499 472 H HA 0.299 4.855 4.556 -0.001 0.000 0.352 472 H C -1.931 173.413 175.328 0.026 0.000 1.237 472 H CA -1.744 54.276 56.048 -0.047 0.000 1.343 472 H CB -0.281 29.433 29.762 -0.079 0.000 1.578 472 H HN 0.222 nan 8.280 nan 0.000 0.577 473 P HA -0.077 nan 4.420 nan 0.000 0.265 473 P C 0.001 177.363 177.300 0.103 0.000 1.193 473 P CA 0.229 63.312 63.100 -0.027 0.000 0.765 473 P CB 0.073 31.728 31.700 -0.075 0.000 0.823 474 F N 4.635 124.588 119.950 0.006 0.000 2.633 474 F HA 0.060 4.587 4.527 -0.001 0.000 0.338 474 F C -1.175 174.649 175.800 0.040 0.000 1.206 474 F CA -1.312 56.712 58.000 0.040 0.000 1.378 474 F CB -1.089 37.879 39.000 -0.053 0.000 1.116 474 F HN 0.330 nan 8.300 nan 0.000 0.615 475 P HA 0.298 nan 4.420 nan 0.000 0.302 475 P C -1.010 176.372 177.300 0.137 0.000 1.307 475 P CA -0.421 62.803 63.100 0.207 0.000 0.754 475 P CB 1.026 32.865 31.700 0.232 0.000 1.298 476 R N -1.187 119.360 120.500 0.078 0.000 2.854 476 R HA 0.715 5.054 4.340 -0.001 0.000 0.271 476 R C -0.820 175.446 176.300 -0.057 0.000 0.996 476 R CA -1.047 55.073 56.100 0.033 0.000 0.961 476 R CB 0.965 31.269 30.300 0.007 0.000 1.182 476 R HN 0.304 nan 8.270 nan 0.000 0.479 477 L N 0.721 121.875 121.223 -0.115 0.000 2.322 477 L HA 0.664 5.004 4.340 -0.001 0.000 0.281 477 L C -0.679 176.094 176.870 -0.163 0.000 1.014 477 L CA -0.109 54.556 54.840 -0.292 0.000 0.815 477 L CB 1.540 43.309 42.059 -0.482 0.000 1.247 477 L HN 0.798 nan 8.230 nan 0.000 0.421 478 R N 5.842 126.249 120.500 -0.155 0.000 2.388 478 R HA 0.703 5.043 4.340 -0.001 0.000 0.314 478 R C -1.533 174.723 176.300 -0.073 0.000 0.959 478 R CA -0.417 55.636 56.100 -0.079 0.000 0.851 478 R CB 0.400 30.674 30.300 -0.044 0.000 1.168 478 R HN 0.741 nan 8.270 nan 0.000 0.472 479 L N 1.956 123.159 121.223 -0.033 0.000 2.334 479 L HA 0.396 4.736 4.340 -0.001 0.000 0.277 479 L C 0.459 177.374 176.870 0.075 0.000 1.075 479 L CA -1.283 53.580 54.840 0.038 0.000 0.804 479 L CB 1.643 43.754 42.059 0.088 0.000 1.174 479 L HN 0.709 nan 8.230 nan 0.000 0.438 480 N N 4.733 123.493 118.700 0.100 0.000 2.374 480 N HA -0.029 4.711 4.740 -0.001 0.000 0.269 480 N C -1.660 173.877 175.510 0.044 0.000 1.310 480 N CA -1.006 52.075 53.050 0.053 0.000 0.877 480 N CB 0.878 39.383 38.487 0.030 0.000 1.096 480 N HN 0.347 nan 8.380 nan 0.000 0.484 481 P HA 0.025 nan 4.420 nan 0.000 0.241 481 P C -0.031 177.257 177.300 -0.020 0.000 1.191 481 P CA 0.539 63.649 63.100 0.016 0.000 0.771 481 P CB 0.489 32.200 31.700 0.017 0.000 0.929 482 D N -0.249 120.124 120.400 -0.044 0.000 2.323 482 D HA 0.009 4.648 4.640 -0.001 0.000 0.209 482 D C 0.875 177.100 176.300 -0.125 0.000 0.973 482 D CA 0.470 54.429 54.000 -0.067 0.000 0.874 482 D CB 0.108 40.873 40.800 -0.059 0.000 0.930 482 D HN 0.152 nan 8.370 nan 0.000 0.521 483 I N 1.325 121.772 120.570 -0.205 0.000 2.452 483 I HA 0.047 4.217 4.170 -0.001 0.000 0.287 483 I C 1.250 177.185 176.117 -0.304 0.000 1.079 483 I CA 0.256 61.319 61.300 -0.396 0.000 1.387 483 I CB 1.008 38.456 38.000 -0.921 0.000 1.404 483 I HN -0.264 nan 8.210 nan 0.000 0.522 484 R N 3.583 123.947 120.500 -0.227 0.000 2.509 484 R HA 0.251 4.591 4.340 -0.001 0.000 0.297 484 R C -0.488 175.756 176.300 -0.094 0.000 0.951 484 R CA 0.021 56.049 56.100 -0.120 0.000 1.103 484 R CB 0.210 30.463 30.300 -0.078 0.000 1.283 484 R HN 0.555 nan 8.270 nan 0.000 0.534 485 N N 0.002 118.621 118.700 -0.136 0.000 2.258 485 N HA 0.119 4.859 4.740 -0.001 0.000 0.299 485 N C 0.396 175.885 175.510 -0.035 0.000 1.047 485 N CA -0.445 52.569 53.050 -0.061 0.000 0.814 485 N CB 2.227 40.684 38.487 -0.049 0.000 1.413 485 N HN -0.161 nan 8.380 nan 0.000 0.478 486 I N 2.140 122.771 120.570 0.102 0.000 2.335 486 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 486 I C 1.464 177.728 176.117 0.246 0.000 1.129 486 I CA 1.837 63.298 61.300 0.269 0.000 1.402 486 I CB 0.122 38.242 38.000 0.199 0.000 1.069 486 I HN 0.533 nan 8.210 nan 0.000 0.424 487 E N 0.098 120.369 120.200 0.119 0.000 2.347 487 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 487 E C 1.394 178.030 176.600 0.060 0.000 1.008 487 E CA 0.965 57.424 56.400 0.098 0.000 0.852 487 E CB -0.201 29.538 29.700 0.065 0.000 0.783 487 E HN 0.503 nan 8.360 nan 0.000 0.505 488 D N -0.198 120.188 120.400 -0.023 0.000 2.347 488 D HA -0.015 4.624 4.640 -0.001 0.000 0.213 488 D C -0.211 176.019 176.300 -0.116 0.000 0.985 488 D CA 0.213 54.155 54.000 -0.097 0.000 0.879 488 D CB -0.047 40.646 40.800 -0.179 0.000 0.919 488 D HN 0.096 nan 8.370 nan 0.000 0.526 489 F N 1.600 121.549 119.950 -0.003 0.000 2.572 489 F HA 0.126 4.653 4.527 -0.001 0.000 0.370 489 F C 1.639 177.431 175.800 -0.013 0.000 1.103 489 F CA 0.044 58.035 58.000 -0.014 0.000 1.286 489 F CB 0.552 39.541 39.000 -0.018 0.000 1.105 489 F HN -0.244 nan 8.300 nan 0.000 0.583 490 T N 0.484 115.138 114.554 0.168 0.000 2.888 490 T HA 0.389 4.739 4.350 -0.001 0.000 0.288 490 T C 0.878 175.616 174.700 0.063 0.000 1.063 490 T CA -0.796 61.355 62.100 0.085 0.000 1.010 490 T CB 1.179 70.070 68.868 0.038 0.000 1.214 490 T HN 0.593 nan 8.240 nan 0.000 0.533 491 I N 0.328 120.908 120.570 0.016 0.000 2.361 491 I HA -0.130 4.040 4.170 -0.001 0.000 0.251 491 I C 1.194 177.301 176.117 -0.017 0.000 1.133 491 I CA 1.570 62.861 61.300 -0.016 0.000 1.413 491 I CB -0.098 37.880 38.000 -0.037 0.000 1.073 491 I HN 0.589 nan 8.210 nan 0.000 0.424 492 D N 0.736 121.134 120.400 -0.004 0.000 2.312 492 D HA -0.128 4.512 4.640 -0.001 0.000 0.211 492 D C 1.241 177.545 176.300 0.006 0.000 0.964 492 D CA 0.816 54.812 54.000 -0.007 0.000 0.877 492 D CB -0.231 40.565 40.800 -0.006 0.000 0.924 492 D HN 0.443 nan 8.370 nan 0.000 0.515 493 D N 0.067 120.492 120.400 0.042 0.000 2.340 493 D HA 0.082 4.722 4.640 -0.001 0.000 0.220 493 D C 0.502 176.849 176.300 0.078 0.000 1.039 493 D CA 0.201 54.255 54.000 0.090 0.000 0.866 493 D CB 1.029 41.938 40.800 0.182 0.000 0.913 493 D HN 0.286 nan 8.370 nan 0.000 0.523 494 I N 1.363 121.928 120.570 -0.009 0.000 2.466 494 I HA 0.189 4.359 4.170 -0.001 0.000 0.279 494 I C -0.898 175.132 176.117 -0.145 0.000 1.033 494 I CA -0.613 60.624 61.300 -0.106 0.000 1.123 494 I CB 2.121 40.026 38.000 -0.158 0.000 1.237 494 I HN -0.408 nan 8.210 nan 0.000 0.460 495 V N 6.479 126.297 119.914 -0.160 0.000 2.588 495 V HA 0.441 4.560 4.120 -0.001 0.000 0.304 495 V C -0.075 175.890 176.094 -0.215 0.000 1.042 495 V CA -0.810 61.400 62.300 -0.150 0.000 0.877 495 V CB 2.453 34.224 31.823 -0.086 0.000 0.996 495 V HN 0.316 nan 8.190 nan 0.000 0.425 496 V N 4.196 123.980 119.914 -0.216 0.000 2.370 496 V HA 0.471 4.591 4.120 -0.001 0.000 0.279 496 V C -0.014 176.028 176.094 -0.086 0.000 1.029 496 V CA -0.464 61.703 62.300 -0.223 0.000 0.870 496 V CB 1.437 33.099 31.823 -0.268 0.000 0.984 496 V HN 0.849 nan 8.190 nan 0.000 0.451 497 E N 2.788 122.959 120.200 -0.048 0.000 2.212 497 E HA 0.367 4.717 4.350 -0.001 0.000 0.270 497 E C -0.555 176.072 176.600 0.046 0.000 0.956 497 E CA -0.474 55.925 56.400 -0.000 0.000 0.825 497 E CB 1.471 31.169 29.700 -0.004 0.000 1.167 497 E HN 0.729 nan 8.360 nan 0.000 0.400 498 D N 0.817 121.246 120.400 0.048 0.000 2.746 498 D HA -0.250 4.390 4.640 -0.001 0.000 0.236 498 D C -0.638 175.728 176.300 0.111 0.000 1.129 498 D CA 0.739 54.769 54.000 0.050 0.000 0.691 498 D CB -2.115 38.711 40.800 0.042 0.000 1.077 498 D HN 0.379 nan 8.370 nan 0.000 0.432 499 Y N 0.898 121.185 120.300 -0.021 0.000 2.504 499 Y HA 0.425 4.975 4.550 -0.000 0.000 0.351 499 Y C -0.396 175.472 175.900 -0.054 0.000 0.988 499 Y CA -0.748 57.347 58.100 -0.010 0.000 1.239 499 Y CB 0.566 39.027 38.460 0.002 0.000 1.128 499 Y HN -0.099 nan 8.280 nan 0.000 0.525 500 V N 6.306 126.020 119.914 -0.333 0.000 2.435 500 V HA 0.614 4.733 4.120 -0.001 0.000 0.290 500 V C -0.379 175.283 176.094 -0.719 0.000 1.030 500 V CA -0.376 61.596 62.300 -0.547 0.000 0.881 500 V CB 1.305 32.823 31.823 -0.508 0.000 0.983 500 V HN 0.816 nan 8.190 nan 0.000 0.445 501 S N 3.314 118.583 115.700 -0.718 0.000 2.556 501 S HA 0.543 5.012 4.470 -0.001 0.000 0.271 501 S C -0.639 173.835 174.600 -0.210 0.000 1.135 501 S CA -0.913 57.049 58.200 -0.397 0.000 0.858 501 S CB 1.427 64.320 63.200 -0.513 0.000 1.114 501 S HN 0.693 nan 8.310 nan 0.000 0.468 502 H N 1.239 120.331 119.070 0.037 0.000 2.895 502 H HA 0.192 4.748 4.556 -0.000 0.000 0.371 502 H C -2.232 173.083 175.328 -0.023 0.000 1.219 502 H CA 0.076 56.142 56.048 0.030 0.000 1.431 502 H CB -0.119 29.656 29.762 0.023 0.000 1.414 502 H HN 0.435 nan 8.280 nan 0.000 0.617 503 P HA 0.035 nan 4.420 nan 0.000 0.269 503 P C -2.370 174.961 177.300 0.052 0.000 1.215 503 P CA -0.980 62.152 63.100 0.053 0.000 0.780 503 P CB -0.282 31.448 31.700 0.049 0.000 0.898 504 P HA 0.016 nan 4.420 nan 0.000 0.266 504 P C -1.561 175.751 177.300 0.020 0.000 1.195 504 P CA 0.505 63.624 63.100 0.031 0.000 0.768 504 P CB 0.587 32.307 31.700 0.033 0.000 0.838 505 I N 0.000 120.573 120.570 0.005 0.000 2.984 505 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 505 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 505 I CB 0.000 37.989 38.000 -0.017 0.000 1.214 505 I HN 0.000 nan 8.210 nan 0.000 0.494