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 2iv2_1_X DATA FIRST_RESID 1 DATA SEQUENCE MKKVVTVCPY CASGCKINLV VDNGKIVRAE AAQGKTNQGT LCLKGYYGWD DATA SEQUENCE FINDTQILTP RLKTPMIRRQ RGGKLEPVSW DEALNYVAER LSAIKEKYGP DATA SEQUENCE DAIQTTGSSR GTGNETNYVM QKFARAVIGT NNVDCCARVX HGPSVAGLHQ DATA SEQUENCE SVGNGAMSNA INEIDNTDLV FVFGYNPADS HPIVANHVIN AKRNGAKIIV DATA SEQUENCE CDPRKIETAR IADMHIALKN GSNIALLNAM GHVIIEENLY DKAFVASRTE DATA SEQUENCE GFEEYRKIVE GYTPESVEDI TGVSASEIRQ AARMYAQAKS AAILWGMGVT DATA SEQUENCE QFYQGVETVR SLTSLAMLTG NLGKPHAGVN PVRGQNNVQG ACDMGALPDT DATA SEQUENCE YPGYQYVKDP ANREKFAKAW GVESLPAHTG YRISELPHRA AHGEVRAAYI DATA SEQUENCE MGEDPLQTDA ELSAVRKAFE DLELVIVQDI FMTKTASAAD VILPSTSWGE DATA SEQUENCE HEGVFTAADR GFQRFFKAVE PKWDLKTDWQ IISEIATRMG YPMHYNNTQE DATA SEQUENCE IWDELRHLCP DFYGATYEKM GELGFIQWPC RDTSDADQGT SYLFKEKFDT DATA SEQUENCE PNGLAQFFTC DWVAPIDKLT DEYPMVLSTV REVGHYSCRS MTGNCAALAA DATA SEQUENCE LADEPGYAQI NTEDAKRLGI EDEALVWVHS RKGKIITRAQ VSDRPNKGAI DATA SEQUENCE YMTYQWWXXX XXXXXXXXXX XXXXXPEYKY CAVRVEPIAD QRAAEQYVID DATA SEQUENCE EYNKLKTRLR EAALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.255 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.067 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 2 K N 2.464 122.810 120.400 -0.091 0.000 2.512 2 K HA 0.776 5.096 4.320 0.001 0.000 0.263 2 K C -1.616 174.914 176.600 -0.117 0.000 0.966 2 K CA -1.231 54.998 56.287 -0.097 0.000 0.851 2 K CB 2.307 34.751 32.500 -0.094 0.000 1.395 2 K HN 0.423 nan 8.250 nan 0.000 0.440 3 K N 1.347 121.676 120.400 -0.117 0.000 2.240 3 K HA 0.362 4.682 4.320 0.001 0.000 0.271 3 K C -1.122 175.392 176.600 -0.143 0.000 1.018 3 K CA -0.753 55.456 56.287 -0.130 0.000 0.874 3 K CB 1.950 34.383 32.500 -0.112 0.000 1.098 3 K HN 0.348 nan 8.250 nan 0.000 0.458 4 V N 3.885 123.709 119.914 -0.149 0.000 2.398 4 V HA 0.256 4.376 4.120 0.001 0.000 0.286 4 V C -0.170 175.860 176.094 -0.108 0.000 1.026 4 V CA -1.047 61.164 62.300 -0.149 0.000 0.868 4 V CB 1.635 33.378 31.823 -0.134 0.000 0.982 4 V HN 0.450 nan 8.190 nan 0.000 0.443 5 V N 4.471 124.316 119.914 -0.114 0.000 2.498 5 V HA 0.532 4.652 4.120 0.001 0.000 0.279 5 V C 0.454 176.666 176.094 0.195 0.000 1.048 5 V CA 0.384 62.685 62.300 0.002 0.000 0.967 5 V CB 1.448 33.232 31.823 -0.065 0.000 0.988 5 V HN 1.037 nan 8.190 nan 0.000 0.473 6 T N 3.691 118.376 114.554 0.217 0.000 2.696 6 T HA 0.695 5.046 4.350 0.001 0.000 0.291 6 T C -1.316 173.618 174.700 0.389 0.000 1.095 6 T CA -0.352 61.949 62.100 0.335 0.000 1.026 6 T CB 1.964 70.972 68.868 0.235 0.000 1.390 6 T HN 0.316 nan 8.240 nan 0.000 0.513 7 V N 1.221 121.436 119.914 0.502 0.000 2.680 7 V HA 0.437 4.558 4.120 0.001 0.000 0.309 7 V C 0.601 176.954 176.094 0.432 0.000 1.052 7 V CA -1.132 61.430 62.300 0.437 0.000 0.908 7 V CB 1.412 33.502 31.823 0.444 0.000 1.001 7 V HN 1.145 nan 8.190 nan 0.000 0.431 8 C N 7.639 127.069 119.300 0.218 0.000 2.596 8 C HA 0.188 4.649 4.460 0.001 0.000 0.414 8 C C -0.754 173.998 174.990 -0.398 0.000 1.396 8 C CA -0.482 58.516 59.018 -0.033 0.000 1.698 8 C CB 0.214 27.981 27.740 0.045 0.000 2.572 8 C HN 0.826 nan 8.230 nan 0.000 0.604 9 P HA 0.116 nan 4.420 nan 0.000 0.258 9 P C -0.158 176.420 177.300 -1.203 0.000 1.416 9 P CA 0.643 63.033 63.100 -1.183 0.000 0.927 9 P CB 0.002 30.732 31.700 -1.617 0.000 1.444 10 Y N 0.805 120.701 120.300 -0.673 0.000 2.662 10 Y HA 0.125 4.675 4.550 0.001 0.000 0.205 10 Y C 2.111 177.588 175.900 -0.705 0.000 0.979 10 Y CA 0.080 57.603 58.100 -0.962 0.000 1.320 10 Y CB -1.077 36.956 38.460 -0.712 0.000 1.075 10 Y HN 0.047 nan 8.280 nan 0.000 0.472 11 C N 0.215 119.457 119.300 -0.098 0.000 2.345 11 C HA 0.793 5.253 4.460 0.001 0.000 0.369 11 C C 1.523 176.566 174.990 0.087 0.000 1.273 11 C CA -0.378 58.687 59.018 0.079 0.000 2.310 11 C CB 0.517 28.280 27.740 0.039 0.000 2.219 11 C HN 0.653 nan 8.230 nan 0.000 0.587 12 A N 0.956 123.916 122.820 0.233 0.000 2.276 12 A HA 0.189 4.509 4.320 0.001 0.000 0.212 12 A C 1.922 179.647 177.584 0.235 0.000 1.230 12 A CA 0.818 52.977 52.037 0.204 0.000 0.844 12 A CB -0.888 18.240 19.000 0.213 0.000 0.860 12 A HN 0.939 nan 8.150 nan 0.000 0.486 13 S N -0.608 115.265 115.700 0.290 0.000 2.419 13 S HA 0.132 4.602 4.470 0.001 0.000 0.233 13 S C 1.643 176.373 174.600 0.216 0.000 1.016 13 S CA 1.069 59.416 58.200 0.244 0.000 0.974 13 S CB -0.281 63.067 63.200 0.246 0.000 0.786 13 S HN 1.656 nan 8.310 nan 0.000 0.492 14 G N 0.575 109.496 108.800 0.201 0.000 2.160 14 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 14 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 14 G C 0.144 175.198 174.900 0.257 0.000 1.022 14 G CA -0.050 45.199 45.100 0.248 0.000 0.741 14 G HN 0.545 nan 8.290 nan 0.000 0.508 15 C N 1.315 120.736 119.300 0.201 0.000 2.596 15 C HA 0.335 4.796 4.460 0.001 0.000 0.414 15 C C 1.137 176.252 174.990 0.209 0.000 1.396 15 C CA -0.393 58.737 59.018 0.187 0.000 1.698 15 C CB 0.270 28.107 27.740 0.161 0.000 2.572 15 C HN 0.409 nan 8.230 nan 0.000 0.604 16 K N 3.326 123.843 120.400 0.196 0.000 2.249 16 K HA 0.573 4.894 4.320 0.001 0.000 0.280 16 K C -0.394 176.308 176.600 0.170 0.000 1.033 16 K CA 0.168 56.574 56.287 0.198 0.000 0.946 16 K CB 1.014 33.617 32.500 0.172 0.000 1.005 16 K HN 0.604 nan 8.250 nan 0.000 0.469 17 I N 2.512 123.195 120.570 0.188 0.000 2.545 17 I HA 0.158 4.328 4.170 0.001 0.000 0.292 17 I C -0.330 175.841 176.117 0.089 0.000 1.040 17 I CA -0.936 60.456 61.300 0.153 0.000 1.068 17 I CB 1.972 40.119 38.000 0.244 0.000 1.251 17 I HN 0.323 nan 8.210 nan 0.000 0.424 18 N N 7.000 125.710 118.700 0.016 0.000 2.420 18 N HA 0.386 5.127 4.740 0.001 0.000 0.249 18 N C -0.788 174.653 175.510 -0.116 0.000 1.033 18 N CA -0.270 52.751 53.050 -0.049 0.000 0.944 18 N CB 1.417 39.866 38.487 -0.064 0.000 1.113 18 N HN 0.421 nan 8.380 nan 0.000 0.502 19 L N 2.496 123.631 121.223 -0.147 0.000 2.278 19 L HA 0.276 4.617 4.340 0.001 0.000 0.287 19 L C 0.086 176.794 176.870 -0.270 0.000 1.072 19 L CA -0.762 53.919 54.840 -0.264 0.000 0.819 19 L CB 0.795 42.682 42.059 -0.287 0.000 1.176 19 L HN 0.069 nan 8.230 nan 0.000 0.435 20 V N 5.137 124.855 119.914 -0.326 0.000 2.488 20 V HA 0.169 4.289 4.120 0.001 0.000 0.277 20 V C 0.278 176.209 176.094 -0.272 0.000 1.046 20 V CA -0.371 61.773 62.300 -0.261 0.000 0.986 20 V CB 1.429 33.109 31.823 -0.238 0.000 0.989 20 V HN 0.408 nan 8.190 nan 0.000 0.475 21 V N 4.184 123.979 119.914 -0.198 0.000 2.409 21 V HA 0.483 4.603 4.120 0.001 0.000 0.291 21 V C -0.678 175.341 176.094 -0.126 0.000 1.020 21 V CA -0.444 61.753 62.300 -0.171 0.000 0.848 21 V CB 1.866 33.597 31.823 -0.154 0.000 0.990 21 V HN 0.948 nan 8.190 nan 0.000 0.430 22 D N 3.800 124.136 120.400 -0.108 0.000 2.542 22 D HA 0.347 4.987 4.640 0.001 0.000 0.252 22 D C 0.092 176.355 176.300 -0.062 0.000 1.222 22 D CA -0.411 53.543 54.000 -0.077 0.000 0.895 22 D CB 0.685 41.446 40.800 -0.066 0.000 1.207 22 D HN 0.596 nan 8.370 nan 0.000 0.558 23 N N 3.046 121.712 118.700 -0.057 0.000 2.756 23 N HA -0.186 4.555 4.740 0.001 0.000 0.248 23 N C 0.876 176.353 175.510 -0.055 0.000 1.062 23 N CA 0.974 53.995 53.050 -0.049 0.000 0.696 23 N CB -0.769 37.696 38.487 -0.037 0.000 0.946 23 N HN 0.798 nan 8.380 nan 0.000 0.548 24 G N -1.010 107.750 108.800 -0.067 0.000 2.189 24 G HA2 -0.365 3.595 3.960 0.001 0.000 0.267 24 G HA3 -0.365 3.595 3.960 0.001 0.000 0.267 24 G C -0.052 174.798 174.900 -0.083 0.000 0.975 24 G CA 1.097 46.152 45.100 -0.075 0.000 0.644 24 G HN 0.513 nan 8.290 nan 0.000 0.537 25 K N -0.322 120.033 120.400 -0.076 0.000 2.316 25 K HA 0.667 4.988 4.320 0.001 0.000 0.251 25 K C 0.155 176.697 176.600 -0.096 0.000 0.934 25 K CA -1.113 55.136 56.287 -0.064 0.000 0.802 25 K CB 2.045 34.531 32.500 -0.024 0.000 1.171 25 K HN 0.152 nan 8.250 nan 0.000 0.426 26 I N 2.215 122.720 120.570 -0.108 0.000 2.556 26 I HA -0.078 4.092 4.170 0.001 0.000 0.284 26 I C 0.984 176.922 176.117 -0.298 0.000 1.114 26 I CA 0.065 61.204 61.300 -0.268 0.000 1.418 26 I CB 0.813 38.602 38.000 -0.352 0.000 1.394 26 I HN 0.466 nan 8.210 nan 0.000 0.552 27 V N 6.041 125.697 119.914 -0.431 0.000 2.908 27 V HA 0.204 4.325 4.120 0.001 0.000 0.240 27 V C 0.511 176.396 176.094 -0.349 0.000 1.117 27 V CA 0.765 62.920 62.300 -0.243 0.000 1.133 27 V CB 0.078 31.809 31.823 -0.152 0.000 0.857 27 V HN 0.950 nan 8.190 nan 0.000 0.478 28 R N -0.702 119.398 120.500 -0.667 0.000 2.764 28 R HA 0.758 5.099 4.340 0.001 0.000 0.276 28 R C -1.351 174.421 176.300 -0.879 0.000 1.021 28 R CA -0.284 55.412 56.100 -0.674 0.000 0.870 28 R CB 1.673 31.841 30.300 -0.221 0.000 1.293 28 R HN 0.009 nan 8.270 nan 0.000 0.469 29 A N 0.502 122.907 122.820 -0.692 0.000 2.365 29 A HA 0.687 5.007 4.320 0.001 0.000 0.318 29 A C -1.090 176.244 177.584 -0.416 0.000 1.091 29 A CA -0.631 51.109 52.037 -0.496 0.000 0.763 29 A CB 1.519 20.355 19.000 -0.274 0.000 1.248 29 A HN 0.808 nan 8.150 nan 0.000 0.442 30 E N 0.799 120.859 120.200 -0.233 0.000 2.383 30 E HA 0.686 5.037 4.350 0.001 0.000 0.275 30 E C -0.425 176.168 176.600 -0.011 0.000 0.918 30 E CA -0.975 55.344 56.400 -0.135 0.000 0.764 30 E CB 1.786 31.427 29.700 -0.099 0.000 1.252 30 E HN 0.972 nan 8.360 nan 0.000 0.449 31 A N 1.409 124.266 122.820 0.062 0.000 2.520 31 A HA 0.513 4.833 4.320 0.001 0.000 0.245 31 A C 0.213 177.828 177.584 0.050 0.000 1.072 31 A CA 0.417 52.502 52.037 0.080 0.000 0.761 31 A CB 0.013 19.071 19.000 0.097 0.000 1.004 31 A HN 0.727 nan 8.150 nan 0.000 0.499 32 A N 2.074 124.929 122.820 0.059 0.000 2.248 32 A HA 0.597 4.917 4.320 0.001 0.000 0.316 32 A C 0.306 177.922 177.584 0.054 0.000 1.101 32 A CA -0.581 51.484 52.037 0.046 0.000 0.875 32 A CB 0.421 19.451 19.000 0.049 0.000 1.207 32 A HN 0.734 nan 8.150 nan 0.000 0.504 33 Q N 0.918 120.744 119.800 0.042 0.000 3.179 33 Q HA 0.186 4.527 4.340 0.001 0.000 0.328 33 Q C 0.595 176.628 176.000 0.055 0.000 1.336 33 Q CA 0.102 55.929 55.803 0.040 0.000 0.939 33 Q CB -0.400 28.354 28.738 0.025 0.000 1.658 33 Q HN 0.768 nan 8.270 nan 0.000 0.486 34 G N 0.744 109.590 108.800 0.077 0.000 2.636 34 G HA2 0.037 3.997 3.960 0.001 0.000 0.246 34 G HA3 0.037 3.997 3.960 0.001 0.000 0.246 34 G C 0.975 175.900 174.900 0.042 0.000 1.216 34 G CA -0.334 44.825 45.100 0.099 0.000 0.854 34 G HN 0.280 nan 8.290 nan 0.000 0.572 35 K N -0.446 119.950 120.400 -0.006 0.000 2.032 35 K HA -0.158 4.162 4.320 0.001 0.000 0.209 35 K C 2.669 179.157 176.600 -0.186 0.000 1.048 35 K CA 2.683 58.866 56.287 -0.173 0.000 0.927 35 K CB -0.549 31.677 32.500 -0.457 0.000 0.712 35 K HN 0.587 nan 8.250 nan 0.000 0.441 36 T N -1.218 113.224 114.554 -0.186 0.000 2.937 36 T HA -0.051 4.300 4.350 0.001 0.000 0.260 36 T C 1.507 176.322 174.700 0.192 0.000 1.051 36 T CA 0.976 63.065 62.100 -0.018 0.000 1.141 36 T CB -0.431 68.419 68.868 -0.031 0.000 0.879 36 T HN 0.381 nan 8.240 nan 0.000 0.459 37 N N 1.143 119.908 118.700 0.108 0.000 2.454 37 N HA -0.045 4.696 4.740 0.001 0.000 0.177 37 N C 0.355 175.893 175.510 0.046 0.000 1.049 37 N CA 0.230 53.335 53.050 0.093 0.000 0.887 37 N CB -0.480 38.071 38.487 0.108 0.000 1.095 37 N HN 0.549 nan 8.380 nan 0.000 0.446 38 Q N 0.327 120.151 119.800 0.040 0.000 2.443 38 Q HA -0.139 4.201 4.340 0.001 0.000 0.337 38 Q C 0.419 176.430 176.000 0.019 0.000 1.401 38 Q CA 0.513 56.328 55.803 0.020 0.000 0.943 38 Q CB -2.084 26.652 28.738 -0.003 0.000 1.177 38 Q HN 0.719 nan 8.270 nan 0.000 0.394 39 G N -0.891 107.930 108.800 0.036 0.000 2.143 39 G HA2 -0.335 3.625 3.960 0.001 0.000 0.248 39 G HA3 -0.335 3.625 3.960 0.001 0.000 0.248 39 G C 0.114 175.040 174.900 0.044 0.000 0.991 39 G CA 0.499 45.621 45.100 0.038 0.000 0.689 39 G HN 1.020 nan 8.290 nan 0.000 0.522 40 T N -1.784 112.799 114.554 0.049 0.000 2.893 40 T HA 0.823 5.173 4.350 0.001 0.000 0.291 40 T C -0.375 174.376 174.700 0.084 0.000 1.028 40 T CA -0.936 61.195 62.100 0.052 0.000 0.995 40 T CB 2.899 71.779 68.868 0.020 0.000 1.051 40 T HN 0.654 nan 8.240 nan 0.000 0.470 41 L N 1.365 122.647 121.223 0.098 0.000 2.376 41 L HA 0.680 5.020 4.340 0.001 0.000 0.258 41 L C 0.725 177.642 176.870 0.079 0.000 1.013 41 L CA -1.360 53.553 54.840 0.121 0.000 0.822 41 L CB 2.285 44.462 42.059 0.196 0.000 1.388 41 L HN 1.120 nan 8.230 nan 0.000 0.413 42 C N -0.420 118.924 119.300 0.073 0.000 2.470 42 C HA 0.346 4.807 4.460 0.001 0.000 0.350 42 C C 1.925 176.948 174.990 0.054 0.000 1.341 42 C CA -0.756 58.284 59.018 0.037 0.000 2.440 42 C CB 0.381 28.137 27.740 0.027 0.000 2.295 42 C HN 0.794 nan 8.230 nan 0.000 0.645 43 L N 1.326 122.571 121.223 0.036 0.000 2.085 43 L HA -0.200 4.140 4.340 0.001 0.000 0.218 43 L C 2.686 179.632 176.870 0.127 0.000 1.080 43 L CA 2.047 56.955 54.840 0.114 0.000 0.776 43 L CB -1.034 41.067 42.059 0.071 0.000 0.891 43 L HN 0.827 nan 8.230 nan 0.000 0.437 44 K N -1.672 118.713 120.400 -0.024 0.000 2.062 44 K HA -0.049 4.271 4.320 0.001 0.000 0.205 44 K C 2.050 178.652 176.600 0.004 0.000 1.051 44 K CA 1.122 57.284 56.287 -0.209 0.000 0.941 44 K CB -0.608 31.580 32.500 -0.521 0.000 0.719 44 K HN 0.458 nan 8.250 nan 0.000 0.440 45 G N 0.355 109.234 108.800 0.132 0.000 2.422 45 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 45 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 45 G C 1.390 176.467 174.900 0.294 0.000 1.146 45 G CA 0.622 45.870 45.100 0.247 0.000 0.769 45 G HN 0.256 nan 8.290 nan 0.000 0.547 46 Y N -0.295 120.059 120.300 0.090 0.000 2.184 46 Y HA 0.026 4.576 4.550 0.001 0.000 0.290 46 Y C 2.101 178.034 175.900 0.056 0.000 1.129 46 Y CA 1.364 59.456 58.100 -0.015 0.000 1.144 46 Y CB 0.196 38.496 38.460 -0.268 0.000 0.995 46 Y HN 0.219 nan 8.280 nan 0.000 0.513 47 Y N -1.705 118.797 120.300 0.337 0.000 2.449 47 Y HA 0.301 4.851 4.550 0.001 0.000 0.254 47 Y C 2.048 177.891 175.900 -0.095 0.000 1.140 47 Y CA 0.293 58.465 58.100 0.121 0.000 1.272 47 Y CB 0.062 38.562 38.460 0.067 0.000 1.114 47 Y HN 0.078 nan 8.280 nan 0.000 0.525 48 G N -0.140 108.794 108.800 0.224 0.000 3.314 48 G HA2 -0.067 3.894 3.960 0.001 0.000 0.238 48 G HA3 -0.067 3.894 3.960 0.001 0.000 0.238 48 G C 0.882 176.091 174.900 0.515 0.000 1.184 48 G CA -0.180 45.082 45.100 0.270 0.000 0.806 48 G HN 0.593 nan 8.290 nan 0.000 0.536 49 W N -0.465 121.075 121.300 0.399 0.000 3.197 49 W HA 0.214 4.874 4.660 0.001 0.000 0.274 49 W C 0.625 177.197 176.519 0.088 0.000 1.297 49 W CA 0.234 57.798 57.345 0.365 0.000 1.662 49 W CB -0.010 29.643 29.460 0.322 0.000 1.106 49 W HN 0.189 nan 8.180 nan 0.000 0.663 50 D N 2.284 122.400 120.400 -0.474 0.000 2.219 50 D HA -0.207 4.434 4.640 0.001 0.000 0.205 50 D C 1.956 178.196 176.300 -0.100 0.000 0.970 50 D CA 1.517 55.181 54.000 -0.561 0.000 0.851 50 D CB -0.644 39.781 40.800 -0.626 0.000 0.943 50 D HN 0.173 nan 8.370 nan 0.000 0.488 51 F N 0.024 120.056 119.950 0.136 0.000 2.250 51 F HA -0.052 4.476 4.527 0.001 0.000 0.301 51 F C 1.949 177.982 175.800 0.388 0.000 1.077 51 F CA 0.578 58.762 58.000 0.306 0.000 1.348 51 F CB -0.944 38.298 39.000 0.403 0.000 1.040 51 F HN -0.054 nan 8.300 nan 0.000 0.509 52 I N 1.383 121.592 120.570 -0.601 0.000 2.236 52 I HA -0.357 3.813 4.170 0.001 0.000 0.249 52 I C 1.464 177.620 176.117 0.065 0.000 1.102 52 I CA 1.620 62.759 61.300 -0.268 0.000 1.365 52 I CB -0.723 37.129 38.000 -0.247 0.000 1.051 52 I HN 0.251 nan 8.210 nan 0.000 0.420 53 N N 0.721 119.477 118.700 0.094 0.000 2.515 53 N HA -0.086 4.655 4.740 0.001 0.000 0.191 53 N C -0.094 175.561 175.510 0.242 0.000 1.182 53 N CA 0.565 53.701 53.050 0.142 0.000 0.879 53 N CB -0.472 38.083 38.487 0.115 0.000 0.984 53 N HN 0.264 nan 8.380 nan 0.000 0.453 54 D N -0.277 120.321 120.400 0.330 0.000 2.828 54 D HA -0.146 4.494 4.640 0.001 0.000 0.241 54 D C 1.016 177.473 176.300 0.262 0.000 1.142 54 D CA 0.982 55.199 54.000 0.361 0.000 0.755 54 D CB -1.049 40.012 40.800 0.435 0.000 1.014 54 D HN 0.412 nan 8.370 nan 0.000 0.420 55 T N -1.879 112.814 114.554 0.233 0.000 2.915 55 T HA -0.190 4.160 4.350 0.001 0.000 0.269 55 T C 1.387 176.168 174.700 0.136 0.000 1.071 55 T CA 1.530 63.721 62.100 0.152 0.000 1.132 55 T CB -0.168 68.767 68.868 0.111 0.000 0.878 55 T HN 0.559 nan 8.240 nan 0.000 0.479 56 Q N -0.480 119.418 119.800 0.165 0.000 2.489 56 Q HA -0.180 4.160 4.340 0.001 0.000 0.259 56 Q C 1.031 177.083 176.000 0.086 0.000 0.934 56 Q CA 0.835 56.715 55.803 0.128 0.000 1.131 56 Q CB -2.310 26.493 28.738 0.109 0.000 1.472 56 Q HN 0.608 nan 8.270 nan 0.000 0.560 57 I N -0.591 120.023 120.570 0.075 0.000 2.252 57 I HA -0.243 3.928 4.170 0.001 0.000 0.245 57 I C 1.998 178.156 176.117 0.069 0.000 1.102 57 I CA 1.551 62.888 61.300 0.062 0.000 1.385 57 I CB -0.069 37.956 38.000 0.043 0.000 1.064 57 I HN 0.282 nan 8.210 nan 0.000 0.414 58 L N -1.733 119.500 121.223 0.016 0.000 2.519 58 L HA 0.285 4.626 4.340 0.001 0.000 0.194 58 L C 0.665 177.546 176.870 0.018 0.000 1.072 58 L CA 1.141 55.974 54.840 -0.013 0.000 0.845 58 L CB 0.750 42.679 42.059 -0.218 0.000 1.138 58 L HN 0.057 nan 8.230 nan 0.000 0.487 59 T N 0.133 114.693 114.554 0.010 0.000 2.932 59 T HA 0.537 4.887 4.350 0.001 0.000 0.318 59 T C -2.924 171.912 174.700 0.227 0.000 1.265 59 T CA -1.494 60.678 62.100 0.120 0.000 1.036 59 T CB 1.781 70.765 68.868 0.193 0.000 1.209 59 T HN -0.188 nan 8.240 nan 0.000 0.484 60 P HA 0.368 nan 4.420 nan 0.000 0.274 60 P C -0.408 177.089 177.300 0.330 0.000 1.231 60 P CA -0.673 62.569 63.100 0.235 0.000 0.790 60 P CB 0.439 32.191 31.700 0.085 0.000 0.951 61 R N 1.545 122.135 120.500 0.149 0.000 2.640 61 R HA 0.131 4.472 4.340 0.001 0.000 0.270 61 R C 0.104 176.227 176.300 -0.295 0.000 1.024 61 R CA -0.103 55.856 56.100 -0.235 0.000 1.085 61 R CB -0.372 29.741 30.300 -0.311 0.000 0.963 61 R HN 0.544 nan 8.270 nan 0.000 0.426 62 L N 4.189 125.253 121.223 -0.265 0.000 2.418 62 L HA 0.084 4.424 4.340 0.001 0.000 0.274 62 L C 1.514 178.157 176.870 -0.377 0.000 1.135 62 L CA 0.425 55.126 54.840 -0.232 0.000 0.870 62 L CB 0.487 42.482 42.059 -0.105 0.000 1.154 62 L HN 0.479 nan 8.230 nan 0.000 0.462 63 K N 0.923 121.052 120.400 -0.452 0.000 2.365 63 K HA 0.136 4.456 4.320 0.001 0.000 0.195 63 K C 0.380 176.823 176.600 -0.261 0.000 1.079 63 K CA 0.361 56.304 56.287 -0.573 0.000 0.979 63 K CB 0.792 32.787 32.500 -0.841 0.000 0.929 63 K HN 0.764 nan 8.250 nan 0.000 0.523 64 T N -0.660 113.737 114.554 -0.262 0.000 2.883 64 T HA 0.403 4.753 4.350 0.001 0.000 0.301 64 T C -3.122 171.335 174.700 -0.404 0.000 1.158 64 T CA -2.480 59.437 62.100 -0.305 0.000 1.007 64 T CB 2.299 71.021 68.868 -0.242 0.000 1.186 64 T HN -0.314 nan 8.240 nan 0.000 0.499 65 P HA 0.337 nan 4.420 nan 0.000 0.268 65 P C -0.734 176.356 177.300 -0.350 0.000 1.208 65 P CA -0.177 62.567 63.100 -0.593 0.000 0.777 65 P CB 0.295 31.511 31.700 -0.806 0.000 0.875 66 M N 1.717 121.158 119.600 -0.266 0.000 2.593 66 M HA 0.546 5.026 4.480 0.001 0.000 0.290 66 M C -0.663 175.510 176.300 -0.211 0.000 1.244 66 M CA -0.579 54.597 55.300 -0.206 0.000 0.857 66 M CB 2.372 34.880 32.600 -0.154 0.000 1.738 66 M HN 0.113 nan 8.290 nan 0.000 0.461 67 I N 1.097 121.534 120.570 -0.221 0.000 2.569 67 I HA 0.441 4.612 4.170 0.001 0.000 0.290 67 I C -0.618 175.378 176.117 -0.201 0.000 1.088 67 I CA -0.636 60.495 61.300 -0.282 0.000 1.047 67 I CB 2.428 40.145 38.000 -0.472 0.000 1.237 67 I HN 0.642 nan 8.210 nan 0.000 0.421 68 R N 5.542 125.949 120.500 -0.154 0.000 2.204 68 R HA 0.373 4.713 4.340 0.001 0.000 0.341 68 R C 0.750 177.002 176.300 -0.079 0.000 1.035 68 R CA -0.491 55.554 56.100 -0.091 0.000 0.887 68 R CB 0.667 30.939 30.300 -0.046 0.000 1.114 68 R HN 0.636 nan 8.270 nan 0.000 0.473 69 R N 1.648 122.102 120.500 -0.076 0.000 2.057 69 R HA -0.087 4.253 4.340 0.001 0.000 0.229 69 R C 0.655 176.964 176.300 0.016 0.000 1.136 69 R CA 1.232 57.311 56.100 -0.035 0.000 0.952 69 R CB -0.150 30.127 30.300 -0.038 0.000 0.848 69 R HN 0.670 nan 8.270 nan 0.000 0.430 70 Q N 0.597 120.399 119.800 0.004 0.000 2.230 70 Q HA 0.199 4.539 4.340 0.001 0.000 0.248 70 Q C 0.580 176.588 176.000 0.012 0.000 0.915 70 Q CA -0.628 55.183 55.803 0.014 0.000 0.900 70 Q CB 1.522 30.265 28.738 0.008 0.000 1.229 70 Q HN -0.187 nan 8.270 nan 0.000 0.439 71 R N 2.288 122.799 120.500 0.019 0.000 2.081 71 R HA -0.052 4.289 4.340 0.001 0.000 0.235 71 R C 1.298 177.608 176.300 0.016 0.000 1.131 71 R CA 1.606 57.718 56.100 0.021 0.000 0.960 71 R CB -0.684 29.630 30.300 0.024 0.000 0.856 71 R HN 0.906 nan 8.270 nan 0.000 0.436 72 G N 0.024 108.831 108.800 0.012 0.000 3.639 72 G HA2 0.353 4.314 3.960 0.001 0.000 0.279 72 G HA3 0.353 4.314 3.960 0.001 0.000 0.279 72 G C 0.139 175.040 174.900 0.003 0.000 1.312 72 G CA 0.183 45.288 45.100 0.009 0.000 1.355 72 G HN 0.363 nan 8.290 nan 0.000 0.595 73 G N -0.324 108.476 108.800 -0.000 0.000 3.075 73 G HA2 0.584 4.544 3.960 0.001 0.000 0.253 73 G HA3 0.584 4.544 3.960 0.001 0.000 0.253 73 G C -0.634 174.258 174.900 -0.014 0.000 1.353 73 G CA -0.897 44.198 45.100 -0.008 0.000 1.051 73 G HN 0.208 nan 8.290 nan 0.000 0.553 74 K N 0.018 120.405 120.400 -0.022 0.000 2.130 74 K HA 0.360 4.680 4.320 0.001 0.000 0.268 74 K C -0.575 176.000 176.600 -0.042 0.000 0.983 74 K CA -0.721 55.550 56.287 -0.028 0.000 0.893 74 K CB 1.461 33.944 32.500 -0.029 0.000 1.066 74 K HN 0.032 nan 8.250 nan 0.000 0.450 75 L N 3.516 124.713 121.223 -0.044 0.000 2.513 75 L HA 0.030 4.370 4.340 0.001 0.000 0.272 75 L C 0.297 177.123 176.870 -0.074 0.000 1.187 75 L CA 1.025 55.827 54.840 -0.064 0.000 0.895 75 L CB -0.092 41.933 42.059 -0.057 0.000 1.147 75 L HN 0.567 nan 8.230 nan 0.000 0.483 76 E N 5.749 125.892 120.200 -0.096 0.000 2.199 76 E HA 0.427 4.778 4.350 0.001 0.000 0.269 76 E C -2.332 174.195 176.600 -0.122 0.000 0.899 76 E CA -2.008 54.334 56.400 -0.096 0.000 0.772 76 E CB 1.789 31.435 29.700 -0.090 0.000 1.155 76 E HN 0.297 nan 8.360 nan 0.000 0.408 77 P HA 0.049 nan 4.420 nan 0.000 0.268 77 P C -0.240 176.975 177.300 -0.141 0.000 1.205 77 P CA -0.095 62.920 63.100 -0.140 0.000 0.771 77 P CB 0.778 32.407 31.700 -0.119 0.000 0.858 78 V N -0.639 119.167 119.914 -0.179 0.000 3.206 78 V HA 0.670 4.790 4.120 0.001 0.000 0.305 78 V C -0.027 175.957 176.094 -0.183 0.000 1.257 78 V CA -1.141 61.065 62.300 -0.157 0.000 1.057 78 V CB 1.325 33.050 31.823 -0.164 0.000 1.075 78 V HN 0.633 nan 8.190 nan 0.000 0.443 79 S N -0.004 115.630 115.700 -0.111 0.000 2.584 79 S HA 0.201 4.672 4.470 0.001 0.000 0.270 79 S C 0.504 175.062 174.600 -0.070 0.000 1.346 79 S CA 0.259 58.418 58.200 -0.069 0.000 1.018 79 S CB 0.220 63.430 63.200 0.018 0.000 0.899 79 S HN 0.923 nan 8.310 nan 0.000 0.542 80 W N 0.979 122.273 121.300 -0.009 0.000 2.321 80 W HA -0.136 4.524 4.660 0.001 0.000 0.306 80 W C 2.247 178.764 176.519 -0.004 0.000 1.217 80 W CA 1.499 58.839 57.345 -0.009 0.000 1.257 80 W CB -0.404 29.053 29.460 -0.005 0.000 1.145 80 W HN 0.936 nan 8.180 nan 0.000 0.509 81 D N 0.025 120.573 120.400 0.246 0.000 2.104 81 D HA -0.266 4.374 4.640 0.001 0.000 0.194 81 D C 1.932 178.300 176.300 0.113 0.000 0.994 81 D CA 1.929 56.019 54.000 0.150 0.000 0.830 81 D CB -0.215 40.646 40.800 0.102 0.000 0.959 81 D HN 0.225 nan 8.370 nan 0.000 0.452 82 E N -0.572 119.673 120.200 0.074 0.000 2.051 82 E HA -0.188 4.163 4.350 0.001 0.000 0.192 82 E C 1.992 178.628 176.600 0.060 0.000 0.991 82 E CA 1.051 57.479 56.400 0.047 0.000 0.799 82 E CB -0.208 29.487 29.700 -0.010 0.000 0.748 82 E HN 0.332 nan 8.360 nan 0.000 0.449 83 A N 1.073 123.910 122.820 0.028 0.000 1.858 83 A HA -0.150 4.171 4.320 0.001 0.000 0.216 83 A C 2.229 179.893 177.584 0.133 0.000 1.190 83 A CA 1.299 53.349 52.037 0.022 0.000 0.617 83 A CB -0.734 18.220 19.000 -0.076 0.000 0.827 83 A HN 0.323 nan 8.150 nan 0.000 0.443 84 L N -0.083 121.246 121.223 0.178 0.000 2.093 84 L HA -0.178 4.163 4.340 0.001 0.000 0.208 84 L C 2.627 179.565 176.870 0.114 0.000 1.085 84 L CA 1.411 56.345 54.840 0.156 0.000 0.755 84 L CB -0.710 41.451 42.059 0.170 0.000 0.904 84 L HN 0.616 nan 8.230 nan 0.000 0.435 85 N N 0.233 119.005 118.700 0.119 0.000 2.084 85 N HA -0.288 4.453 4.740 0.001 0.000 0.190 85 N C 2.113 177.691 175.510 0.113 0.000 1.030 85 N CA 1.587 54.697 53.050 0.100 0.000 0.849 85 N CB -0.171 38.371 38.487 0.093 0.000 1.012 85 N HN 0.280 nan 8.380 nan 0.000 0.423 86 Y N 1.745 122.050 120.300 0.008 0.000 2.081 86 Y HA -0.246 4.304 4.550 0.001 0.000 0.280 86 Y C 2.480 178.372 175.900 -0.012 0.000 1.163 86 Y CA 1.939 60.035 58.100 -0.005 0.000 1.135 86 Y CB -0.406 38.043 38.460 -0.018 0.000 0.970 86 Y HN -0.111 nan 8.280 nan 0.000 0.498 87 V N 0.211 120.198 119.914 0.121 0.000 2.261 87 V HA -0.340 3.781 4.120 0.001 0.000 0.246 87 V C 2.660 178.738 176.094 -0.026 0.000 1.047 87 V CA 1.828 64.127 62.300 -0.002 0.000 1.015 87 V CB -1.628 30.173 31.823 -0.036 0.000 0.642 87 V HN 0.580 nan 8.190 nan 0.000 0.446 88 A N -0.313 122.518 122.820 0.019 0.000 1.892 88 A HA -0.269 4.051 4.320 0.001 0.000 0.218 88 A C 2.185 179.779 177.584 0.017 0.000 1.188 88 A CA 2.051 54.117 52.037 0.048 0.000 0.631 88 A CB -0.520 18.518 19.000 0.063 0.000 0.822 88 A HN 0.636 nan 8.150 nan 0.000 0.447 89 E N -0.852 119.335 120.200 -0.021 0.000 2.110 89 E HA -0.186 4.164 4.350 0.001 0.000 0.193 89 E C 2.302 178.847 176.600 -0.093 0.000 0.988 89 E CA 0.893 57.262 56.400 -0.052 0.000 0.804 89 E CB -0.196 29.463 29.700 -0.068 0.000 0.745 89 E HN 0.346 nan 8.360 nan 0.000 0.458 90 R N 0.741 121.142 120.500 -0.165 0.000 2.062 90 R HA -0.006 4.334 4.340 0.001 0.000 0.229 90 R C 2.542 178.805 176.300 -0.063 0.000 1.128 90 R CA 0.671 56.668 56.100 -0.170 0.000 0.960 90 R CB -1.017 29.111 30.300 -0.286 0.000 0.855 90 R HN 0.229 nan 8.270 nan 0.000 0.432 91 L N 0.448 121.654 121.223 -0.028 0.000 2.042 91 L HA -0.171 4.169 4.340 0.001 0.000 0.210 91 L C 2.370 179.257 176.870 0.028 0.000 1.076 91 L CA 1.376 56.232 54.840 0.028 0.000 0.749 91 L CB -0.518 41.594 42.059 0.089 0.000 0.893 91 L HN 0.120 nan 8.230 nan 0.000 0.432 92 S N 0.021 115.733 115.700 0.021 0.000 2.348 92 S HA -0.193 4.277 4.470 0.001 0.000 0.221 92 S C 2.218 176.821 174.600 0.006 0.000 1.033 92 S CA 1.313 59.523 58.200 0.017 0.000 1.010 92 S CB -0.362 62.849 63.200 0.018 0.000 0.891 92 S HN 0.504 nan 8.310 nan 0.000 0.442 93 A N 1.178 123.993 122.820 -0.007 0.000 1.908 93 A HA -0.071 4.250 4.320 0.001 0.000 0.218 93 A C 2.088 179.677 177.584 0.008 0.000 1.181 93 A CA 1.302 53.331 52.037 -0.014 0.000 0.627 93 A CB -0.714 18.268 19.000 -0.030 0.000 0.818 93 A HN 0.493 nan 8.150 nan 0.000 0.445 94 I N -0.629 119.971 120.570 0.050 0.000 2.252 94 I HA -0.238 3.932 4.170 0.001 0.000 0.245 94 I C 2.511 178.710 176.117 0.136 0.000 1.102 94 I CA 1.748 63.136 61.300 0.147 0.000 1.385 94 I CB -0.180 37.906 38.000 0.143 0.000 1.064 94 I HN 0.409 nan 8.210 nan 0.000 0.414 95 K N 0.897 121.338 120.400 0.069 0.000 2.026 95 K HA -0.216 4.104 4.320 0.001 0.000 0.208 95 K C 1.979 178.596 176.600 0.027 0.000 1.048 95 K CA 1.478 57.794 56.287 0.049 0.000 0.929 95 K CB 0.047 32.556 32.500 0.015 0.000 0.713 95 K HN 0.153 nan 8.250 nan 0.000 0.439 96 E N 0.732 120.931 120.200 -0.001 0.000 2.152 96 E HA -0.157 4.193 4.350 0.001 0.000 0.192 96 E C 1.858 178.412 176.600 -0.076 0.000 0.983 96 E CA 1.056 57.439 56.400 -0.029 0.000 0.818 96 E CB 0.052 29.733 29.700 -0.031 0.000 0.758 96 E HN 0.320 nan 8.360 nan 0.000 0.467 97 K N -0.574 119.743 120.400 -0.139 0.000 2.044 97 K HA -0.070 4.250 4.320 0.001 0.000 0.204 97 K C 1.338 177.682 176.600 -0.428 0.000 1.049 97 K CA 0.983 57.055 56.287 -0.359 0.000 0.945 97 K CB 0.087 32.244 32.500 -0.571 0.000 0.724 97 K HN 0.047 nan 8.250 nan 0.000 0.440 98 Y N -0.931 119.377 120.300 0.014 0.000 2.444 98 Y HA 0.348 4.899 4.550 0.001 0.000 0.252 98 Y C 0.575 176.492 175.900 0.029 0.000 1.091 98 Y CA 0.159 58.273 58.100 0.024 0.000 1.276 98 Y CB 1.443 39.922 38.460 0.032 0.000 1.170 98 Y HN 0.203 nan 8.280 nan 0.000 0.517 99 G N 0.621 109.502 108.800 0.136 0.000 2.619 99 G HA2 -0.141 3.819 3.960 0.001 0.000 0.686 99 G HA3 -0.141 3.819 3.960 0.001 0.000 0.686 99 G C -2.275 172.678 174.900 0.089 0.000 1.256 99 G CA -0.609 44.546 45.100 0.092 0.000 0.826 99 G HN -0.095 nan 8.290 nan 0.000 0.619 100 P HA 0.029 nan 4.420 nan 0.000 0.220 100 P C 0.928 178.242 177.300 0.024 0.000 1.148 100 P CA 1.475 64.587 63.100 0.019 0.000 0.803 100 P CB 0.088 31.781 31.700 -0.012 0.000 0.782 101 D N -0.307 120.120 120.400 0.045 0.000 2.371 101 D HA 0.019 4.659 4.640 0.001 0.000 0.221 101 D C 1.718 178.097 176.300 0.133 0.000 0.986 101 D CA 0.583 54.595 54.000 0.020 0.000 0.899 101 D CB -0.407 40.387 40.800 -0.009 0.000 0.902 101 D HN 0.137 nan 8.370 nan 0.000 0.530 102 A N 0.093 122.995 122.820 0.137 0.000 2.235 102 A HA 0.085 4.405 4.320 0.001 0.000 0.208 102 A C 0.977 178.623 177.584 0.102 0.000 1.172 102 A CA 0.189 52.303 52.037 0.129 0.000 0.786 102 A CB -0.107 18.974 19.000 0.134 0.000 0.804 102 A HN 0.137 nan 8.150 nan 0.000 0.479 103 I N -0.313 120.317 120.570 0.099 0.000 2.433 103 I HA 0.341 4.511 4.170 0.001 0.000 0.292 103 I C -0.424 175.759 176.117 0.109 0.000 1.001 103 I CA -0.718 60.638 61.300 0.093 0.000 1.119 103 I CB 2.015 40.057 38.000 0.069 0.000 1.289 103 I HN 0.085 nan 8.210 nan 0.000 0.438 104 Q N 4.697 124.576 119.800 0.132 0.000 2.316 104 Q HA 0.513 4.854 4.340 0.001 0.000 0.264 104 Q C -0.654 175.434 176.000 0.147 0.000 0.987 104 Q CA -0.542 55.344 55.803 0.139 0.000 0.852 104 Q CB 1.684 30.514 28.738 0.153 0.000 1.287 104 Q HN 0.735 nan 8.270 nan 0.000 0.448 105 T N 0.112 114.732 114.554 0.110 0.000 2.940 105 T HA 0.816 5.166 4.350 0.001 0.000 0.288 105 T C -0.146 174.578 174.700 0.040 0.000 1.033 105 T CA -0.443 61.706 62.100 0.082 0.000 1.033 105 T CB 1.498 70.401 68.868 0.058 0.000 1.079 105 T HN 0.647 nan 8.240 nan 0.000 0.496 106 T N -0.622 113.931 114.554 -0.002 0.000 2.887 106 T HA 0.751 5.101 4.350 0.001 0.000 0.288 106 T C 0.677 175.363 174.700 -0.023 0.000 1.021 106 T CA -0.453 61.655 62.100 0.012 0.000 1.000 106 T CB 1.275 70.175 68.868 0.052 0.000 1.034 106 T HN 1.020 nan 8.240 nan 0.000 0.467 107 G N 0.391 109.198 108.800 0.011 0.000 2.535 107 G HA2 0.519 4.480 3.960 0.001 0.000 0.282 107 G HA3 0.519 4.480 3.960 0.001 0.000 0.282 107 G C -0.637 174.296 174.900 0.055 0.000 1.350 107 G CA -0.667 44.450 45.100 0.028 0.000 1.039 107 G HN 1.063 nan 8.290 nan 0.000 0.509 108 S N -2.073 113.676 115.700 0.082 0.000 2.614 108 S HA 0.430 4.900 4.470 0.001 0.000 0.275 108 S C 0.320 174.985 174.600 0.108 0.000 1.161 108 S CA -0.490 57.769 58.200 0.098 0.000 0.969 108 S CB 1.513 64.779 63.200 0.111 0.000 1.059 108 S HN 0.424 nan 8.310 nan 0.000 0.482 109 S N 3.866 119.618 115.700 0.087 0.000 2.605 109 S HA 0.238 4.709 4.470 0.001 0.000 0.217 109 S C 1.093 175.683 174.600 -0.017 0.000 0.958 109 S CA -0.260 57.977 58.200 0.061 0.000 0.919 109 S CB -0.013 63.230 63.200 0.072 0.000 0.780 109 S HN 0.507 nan 8.310 nan 0.000 0.507 110 R N 0.891 121.388 120.500 -0.006 0.000 2.261 110 R HA 0.415 4.755 4.340 0.001 0.000 0.116 110 R C 2.071 178.306 176.300 -0.109 0.000 1.533 110 R CA 0.219 56.249 56.100 -0.116 0.000 1.423 110 R CB -1.188 29.085 30.300 -0.046 0.000 1.225 110 R HN 0.194 nan 8.270 nan 0.000 0.476 111 G N -0.058 108.765 108.800 0.039 0.000 2.679 111 G HA2 -0.176 3.785 3.960 0.001 0.000 0.212 111 G HA3 -0.176 3.785 3.960 0.001 0.000 0.212 111 G C 1.243 176.564 174.900 0.701 0.000 1.137 111 G CA 1.152 46.438 45.100 0.310 0.000 0.787 111 G HN 0.437 nan 8.290 nan 0.000 0.534 112 T N -0.058 114.818 114.554 0.537 0.000 2.777 112 T HA 0.362 4.713 4.350 0.001 0.000 0.266 112 T C 1.250 176.289 174.700 0.564 0.000 1.040 112 T CA 2.031 64.421 62.100 0.483 0.000 1.141 112 T CB -0.489 68.542 68.868 0.272 0.000 0.868 112 T HN 1.285 nan 8.240 nan 0.000 0.444 113 G N 0.188 109.374 108.800 0.644 0.000 2.555 113 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 113 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 113 G C 0.062 175.194 174.900 0.387 0.000 1.275 113 G CA -0.029 45.427 45.100 0.594 0.000 0.871 113 G HN 0.201 nan 8.290 nan 0.000 0.603 114 N N 0.062 118.958 118.700 0.326 0.000 2.120 114 N HA -0.049 4.691 4.740 0.001 0.000 0.188 114 N C 2.127 177.786 175.510 0.248 0.000 1.024 114 N CA 1.946 55.169 53.050 0.289 0.000 0.852 114 N CB -0.226 38.450 38.487 0.315 0.000 1.003 114 N HN 0.691 nan 8.380 nan 0.000 0.424 115 E N -0.239 120.062 120.200 0.168 0.000 2.058 115 E HA -0.096 4.255 4.350 0.001 0.000 0.194 115 E C 1.933 178.591 176.600 0.095 0.000 0.997 115 E CA 1.443 57.871 56.400 0.048 0.000 0.801 115 E CB -0.557 29.017 29.700 -0.210 0.000 0.746 115 E HN 0.266 nan 8.360 nan 0.000 0.450 116 T N 1.104 115.770 114.554 0.187 0.000 2.699 116 T HA -0.167 4.183 4.350 0.001 0.000 0.268 116 T C 1.552 176.356 174.700 0.174 0.000 1.036 116 T CA 1.400 63.647 62.100 0.246 0.000 1.147 116 T CB -0.310 68.712 68.868 0.256 0.000 0.862 116 T HN 0.184 nan 8.240 nan 0.000 0.446 117 N N 0.046 118.854 118.700 0.181 0.000 2.188 117 N HA -0.086 4.654 4.740 0.001 0.000 0.184 117 N C 1.722 177.312 175.510 0.133 0.000 1.018 117 N CA 0.997 54.131 53.050 0.141 0.000 0.858 117 N CB -0.321 38.259 38.487 0.156 0.000 0.989 117 N HN 0.478 nan 8.380 nan 0.000 0.426 118 Y N 2.225 122.564 120.300 0.066 0.000 2.165 118 Y HA -0.174 4.377 4.550 0.001 0.000 0.286 118 Y C 2.269 178.195 175.900 0.043 0.000 1.155 118 Y CA 1.191 59.330 58.100 0.065 0.000 1.164 118 Y CB -0.365 38.120 38.460 0.041 0.000 0.978 118 Y HN -0.233 nan 8.280 nan 0.000 0.513 119 V N 0.139 120.085 119.914 0.052 0.000 2.358 119 V HA -0.318 3.802 4.120 0.001 0.000 0.246 119 V C 2.390 178.458 176.094 -0.043 0.000 1.047 119 V CA 2.021 64.312 62.300 -0.015 0.000 1.035 119 V CB -0.705 31.204 31.823 0.144 0.000 0.658 119 V HN 0.512 nan 8.190 nan 0.000 0.452 120 M N 1.374 120.971 119.600 -0.005 0.000 2.108 120 M HA -0.232 4.249 4.480 0.001 0.000 0.261 120 M C 2.199 178.490 176.300 -0.015 0.000 1.066 120 M CA 2.414 57.712 55.300 -0.003 0.000 1.107 120 M CB -0.635 31.934 32.600 -0.052 0.000 1.356 120 M HN 0.578 nan 8.290 nan 0.000 0.406 121 Q N -0.536 119.212 119.800 -0.087 0.000 2.172 121 Q HA -0.130 4.210 4.340 0.001 0.000 0.200 121 Q C 1.987 177.854 176.000 -0.222 0.000 0.964 121 Q CA 1.989 57.725 55.803 -0.112 0.000 0.855 121 Q CB -0.823 27.872 28.738 -0.072 0.000 0.918 121 Q HN 0.622 nan 8.270 nan 0.000 0.444 122 K N -0.261 119.876 120.400 -0.439 0.000 2.032 122 K HA -0.183 4.137 4.320 0.001 0.000 0.209 122 K C 1.786 178.035 176.600 -0.585 0.000 1.048 122 K CA 1.448 57.219 56.287 -0.860 0.000 0.927 122 K CB -0.335 31.549 32.500 -1.026 0.000 0.712 122 K HN 0.301 nan 8.250 nan 0.000 0.441 123 F N 1.287 120.987 119.950 -0.418 0.000 2.102 123 F HA -0.153 4.374 4.527 0.001 0.000 0.298 123 F C 1.989 177.655 175.800 -0.224 0.000 1.105 123 F CA 1.547 59.376 58.000 -0.286 0.000 1.239 123 F CB -0.748 38.180 39.000 -0.121 0.000 0.991 123 F HN 0.103 nan 8.300 nan 0.000 0.474 124 A N 0.392 123.022 122.820 -0.317 0.000 1.908 124 A HA -0.196 4.125 4.320 0.001 0.000 0.218 124 A C 2.345 179.742 177.584 -0.311 0.000 1.181 124 A CA 2.070 53.908 52.037 -0.333 0.000 0.627 124 A CB -0.641 18.269 19.000 -0.148 0.000 0.818 124 A HN 0.496 nan 8.150 nan 0.000 0.445 125 R N -1.299 119.054 120.500 -0.245 0.000 2.064 125 R HA 0.214 4.554 4.340 0.001 0.000 0.221 125 R C 2.484 178.716 176.300 -0.113 0.000 1.136 125 R CA 1.020 57.059 56.100 -0.101 0.000 0.980 125 R CB -0.311 30.069 30.300 0.133 0.000 0.876 125 R HN 0.450 nan 8.270 nan 0.000 0.437 126 A N 0.222 122.863 122.820 -0.299 0.000 1.975 126 A HA 0.008 4.329 4.320 0.001 0.000 0.215 126 A C 2.059 179.350 177.584 -0.488 0.000 1.170 126 A CA 0.877 52.713 52.037 -0.335 0.000 0.656 126 A CB -0.011 18.600 19.000 -0.649 0.000 0.821 126 A HN 0.087 nan 8.150 nan 0.000 0.449 127 V N -0.033 119.526 119.914 -0.592 0.000 2.391 127 V HA -0.044 4.076 4.120 0.001 0.000 0.237 127 V C 2.308 178.188 176.094 -0.356 0.000 1.046 127 V CA 0.947 62.959 62.300 -0.479 0.000 1.053 127 V CB -0.607 30.961 31.823 -0.425 0.000 0.704 127 V HN 0.385 nan 8.190 nan 0.000 0.475 128 I N 0.940 121.197 120.570 -0.522 0.000 2.202 128 I HA 0.010 4.181 4.170 0.001 0.000 0.242 128 I C 1.890 177.891 176.117 -0.194 0.000 1.091 128 I CA 2.032 63.116 61.300 -0.360 0.000 1.368 128 I CB -1.518 36.229 38.000 -0.421 0.000 1.058 128 I HN 0.656 nan 8.210 nan 0.000 0.410 129 G N 0.698 109.386 108.800 -0.186 0.000 2.145 129 G HA2 -0.178 3.782 3.960 0.001 0.000 0.176 129 G HA3 -0.178 3.782 3.960 0.001 0.000 0.176 129 G C 0.373 175.224 174.900 -0.081 0.000 1.013 129 G CA 0.369 45.416 45.100 -0.089 0.000 0.689 129 G HN 0.530 nan 8.290 nan 0.000 0.506 130 T N -0.826 113.648 114.554 -0.133 0.000 2.906 130 T HA 0.591 4.941 4.350 0.001 0.000 0.295 130 T C 0.689 175.271 174.700 -0.196 0.000 1.061 130 T CA -0.367 61.638 62.100 -0.160 0.000 1.000 130 T CB 1.031 69.819 68.868 -0.133 0.000 1.103 130 T HN -0.013 nan 8.240 nan 0.000 0.486 131 N N 2.789 121.322 118.700 -0.278 0.000 2.322 131 N HA 0.063 4.804 4.740 0.001 0.000 0.194 131 N C -0.290 175.103 175.510 -0.195 0.000 1.126 131 N CA -0.038 52.857 53.050 -0.258 0.000 0.845 131 N CB 0.000 38.286 38.487 -0.335 0.000 0.976 131 N HN 0.452 nan 8.380 nan 0.000 0.475 132 N N 1.198 119.797 118.700 -0.169 0.000 2.670 132 N HA 0.006 4.746 4.740 0.001 0.000 0.296 132 N C -0.632 174.860 175.510 -0.029 0.000 1.216 132 N CA 0.267 53.271 53.050 -0.077 0.000 1.123 132 N CB 0.324 38.797 38.487 -0.023 0.000 1.459 132 N HN -0.037 nan 8.380 nan 0.000 0.509 133 V N 0.716 120.608 119.914 -0.038 0.000 2.808 133 V HA 0.578 4.699 4.120 0.001 0.000 0.308 133 V C -1.422 174.666 176.094 -0.010 0.000 1.099 133 V CA -0.638 61.649 62.300 -0.022 0.000 0.920 133 V CB 2.643 34.436 31.823 -0.050 0.000 1.014 133 V HN 0.338 nan 8.190 nan 0.000 0.425 134 D N 3.676 124.086 120.400 0.016 0.000 2.653 134 D HA 0.564 5.204 4.640 0.001 0.000 0.258 134 D C -1.508 174.819 176.300 0.045 0.000 1.252 134 D CA -0.044 53.975 54.000 0.031 0.000 0.777 134 D CB 2.131 42.967 40.800 0.060 0.000 1.339 134 D HN 0.760 nan 8.370 nan 0.000 0.422 135 C N 1.262 120.594 119.300 0.054 0.000 2.493 135 C HA 0.435 4.895 4.460 0.001 0.000 0.326 135 C C 2.059 177.101 174.990 0.087 0.000 1.200 135 C CA -0.692 58.369 59.018 0.071 0.000 1.739 135 C CB 0.971 28.755 27.740 0.072 0.000 2.300 135 C HN 0.860 nan 8.230 nan 0.000 0.500 136 C N 1.708 121.066 119.300 0.097 0.000 2.396 136 C HA -0.005 4.455 4.460 0.001 0.000 0.281 136 C C 1.658 176.717 174.990 0.114 0.000 1.208 136 C CA 1.617 60.700 59.018 0.108 0.000 1.754 136 C CB -0.965 26.842 27.740 0.111 0.000 2.044 136 C HN 0.969 nan 8.230 nan 0.000 0.449 137 A N 1.274 124.163 122.820 0.115 0.000 2.363 137 A HA 0.629 4.949 4.320 0.001 0.000 0.270 137 A C 0.075 177.726 177.584 0.111 0.000 1.121 137 A CA -0.087 52.022 52.037 0.120 0.000 0.800 137 A CB 0.143 19.217 19.000 0.124 0.000 1.052 137 A HN 0.792 nan 8.150 nan 0.000 0.493 138 R N 1.219 121.787 120.500 0.113 0.000 2.680 138 R HA 0.620 4.960 4.340 0.001 0.000 0.269 138 R C -0.409 175.966 176.300 0.124 0.000 1.026 138 R CA -0.657 55.508 56.100 0.109 0.000 0.889 138 R CB 0.732 31.087 30.300 0.092 0.000 1.241 138 R HN 0.736 nan 8.270 nan 0.000 0.463 142 G N 0.598 109.115 108.800 -0.472 0.000 2.547 142 G HA2 0.377 4.337 3.960 0.001 0.000 0.291 142 G HA3 0.377 4.337 3.960 0.001 0.000 0.291 142 G C -1.505 173.391 174.900 -0.006 0.000 1.211 142 G CA -0.701 44.272 45.100 -0.212 0.000 0.950 142 G HN 0.294 nan 8.290 nan 0.000 0.504 143 P HA 0.013 nan 4.420 nan 0.000 0.225 143 P C 1.548 178.867 177.300 0.031 0.000 1.156 143 P CA 0.762 63.869 63.100 0.012 0.000 0.787 143 P CB 0.494 32.181 31.700 -0.022 0.000 0.802 144 S N -0.883 114.842 115.700 0.041 0.000 2.470 144 S HA 0.080 4.550 4.470 0.001 0.000 0.225 144 S C 0.902 175.522 174.600 0.034 0.000 1.006 144 S CA 0.313 58.533 58.200 0.032 0.000 0.934 144 S CB 0.007 63.229 63.200 0.037 0.000 0.778 144 S HN -0.050 nan 8.310 nan 0.000 0.517 145 V N 1.685 121.643 119.914 0.074 0.000 2.525 145 V HA 0.635 4.755 4.120 0.001 0.000 0.299 145 V C 0.023 176.208 176.094 0.151 0.000 1.034 145 V CA -1.301 61.047 62.300 0.079 0.000 0.863 145 V CB 1.228 33.093 31.823 0.071 0.000 0.999 145 V HN 0.317 nan 8.190 nan 0.000 0.423 146 A N 3.637 126.473 122.820 0.027 0.000 2.492 146 A HA 0.781 5.101 4.320 0.001 0.000 0.236 146 A C 0.810 178.367 177.584 -0.044 0.000 1.078 146 A CA 0.939 52.903 52.037 -0.122 0.000 0.773 146 A CB 0.251 19.110 19.000 -0.235 0.000 1.023 146 A HN 1.619 nan 8.150 nan 0.000 0.504 147 G N -1.389 107.229 108.800 -0.302 0.000 2.435 147 G HA2 0.361 4.322 3.960 0.001 0.000 0.296 147 G HA3 0.361 4.322 3.960 0.001 0.000 0.296 147 G C 0.412 175.212 174.900 -0.167 0.000 1.240 147 G CA -0.159 44.911 45.100 -0.050 0.000 0.872 147 G HN 0.697 nan 8.290 nan 0.000 0.480 148 L N 0.988 122.292 121.223 0.135 0.000 2.127 148 L HA -0.099 4.242 4.340 0.001 0.000 0.211 148 L C 2.989 179.897 176.870 0.064 0.000 1.089 148 L CA 2.098 57.023 54.840 0.142 0.000 0.757 148 L CB -0.444 41.797 42.059 0.304 0.000 0.899 148 L HN 0.766 nan 8.230 nan 0.000 0.434 149 H N -1.618 117.483 119.070 0.052 0.000 2.387 149 H HA -0.212 4.344 4.556 0.001 0.000 0.299 149 H C 1.839 177.147 175.328 -0.033 0.000 1.099 149 H CA 1.047 57.115 56.048 0.033 0.000 1.315 149 H CB -0.586 29.198 29.762 0.038 0.000 1.380 149 H HN 0.366 nan 8.280 nan 0.000 0.513 150 Q N 0.735 120.303 119.800 -0.388 0.000 2.297 150 Q HA 0.029 4.369 4.340 0.001 0.000 0.204 150 Q C 2.349 178.217 176.000 -0.220 0.000 0.962 150 Q CA 0.745 56.377 55.803 -0.285 0.000 0.879 150 Q CB 0.195 28.713 28.738 -0.366 0.000 0.947 150 Q HN 0.475 nan 8.270 nan 0.000 0.462 151 S N -0.270 115.295 115.700 -0.224 0.000 2.362 151 S HA -0.062 4.409 4.470 0.001 0.000 0.221 151 S C 1.767 176.149 174.600 -0.363 0.000 1.032 151 S CA 1.287 59.333 58.200 -0.257 0.000 0.973 151 S CB 0.264 63.332 63.200 -0.220 0.000 0.849 151 S HN 0.387 nan 8.310 nan 0.000 0.465 152 V N -3.062 116.680 119.914 -0.288 0.000 3.398 152 V HA 0.655 4.775 4.120 0.001 0.000 0.298 152 V C 1.050 177.047 176.094 -0.161 0.000 1.496 152 V CA 0.285 62.325 62.300 -0.432 0.000 1.044 152 V CB -0.279 31.241 31.823 -0.506 0.000 0.880 152 V HN 0.493 nan 8.190 nan 0.000 0.443 153 G N 0.842 109.643 108.800 0.002 0.000 2.148 153 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 153 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 153 G C -0.044 175.007 174.900 0.252 0.000 0.981 153 G CA 0.544 45.717 45.100 0.122 0.000 0.670 153 G HN 0.821 nan 8.290 nan 0.000 0.528 154 N N -0.797 118.092 118.700 0.314 0.000 2.406 154 N HA 0.473 5.214 4.740 0.001 0.000 0.283 154 N C 1.003 176.690 175.510 0.295 0.000 1.074 154 N CA 0.348 53.594 53.050 0.326 0.000 0.916 154 N CB 1.159 39.909 38.487 0.439 0.000 1.639 154 N HN 0.282 nan 8.380 nan 0.000 0.485 155 G N 0.674 109.602 108.800 0.212 0.000 2.880 155 G HA2 0.248 4.209 3.960 0.001 0.000 0.209 155 G HA3 0.248 4.209 3.960 0.001 0.000 0.209 155 G C 0.580 175.563 174.900 0.138 0.000 1.157 155 G CA 0.429 45.657 45.100 0.212 0.000 0.779 155 G HN 0.705 nan 8.290 nan 0.000 0.539 156 A N 0.151 123.030 122.820 0.098 0.000 2.406 156 A HA 0.567 4.888 4.320 0.001 0.000 0.243 156 A C 0.642 178.183 177.584 -0.071 0.000 1.082 156 A CA -0.359 51.676 52.037 -0.004 0.000 0.786 156 A CB 0.150 19.077 19.000 -0.122 0.000 1.029 156 A HN 0.273 nan 8.150 nan 0.000 0.495 157 M N 1.968 121.476 119.600 -0.154 0.000 2.338 157 M HA -0.056 4.425 4.480 0.001 0.000 0.360 157 M C 1.589 177.783 176.300 -0.177 0.000 1.547 157 M CA 0.515 55.700 55.300 -0.191 0.000 1.001 157 M CB 0.482 32.957 32.600 -0.208 0.000 2.008 157 M HN 0.968 nan 8.290 nan 0.000 0.464 158 S N 2.611 118.252 115.700 -0.098 0.000 2.453 158 S HA -0.006 4.464 4.470 0.001 0.000 0.231 158 S C 0.247 174.773 174.600 -0.122 0.000 1.005 158 S CA 0.623 58.753 58.200 -0.117 0.000 0.949 158 S CB -0.109 63.166 63.200 0.125 0.000 0.774 158 S HN 0.785 nan 8.310 nan 0.000 0.510 159 N N 0.224 118.870 118.700 -0.091 0.000 2.262 159 N HA 0.714 5.454 4.740 0.001 0.000 0.295 159 N C -0.934 174.526 175.510 -0.084 0.000 1.161 159 N CA -0.229 52.786 53.050 -0.057 0.000 0.767 159 N CB 1.656 40.111 38.487 -0.053 0.000 1.499 159 N HN 0.315 nan 8.380 nan 0.000 0.476 160 A N 0.531 123.315 122.820 -0.061 0.000 2.406 160 A HA 0.246 4.566 4.320 0.001 0.000 0.243 160 A C 1.237 178.764 177.584 -0.095 0.000 1.082 160 A CA -0.147 51.853 52.037 -0.062 0.000 0.786 160 A CB -0.200 18.780 19.000 -0.033 0.000 1.029 160 A HN 0.818 nan 8.150 nan 0.000 0.495 161 I N 0.494 120.982 120.570 -0.137 0.000 2.226 161 I HA -0.247 3.924 4.170 0.001 0.000 0.245 161 I C 1.572 177.462 176.117 -0.378 0.000 1.100 161 I CA 1.647 62.795 61.300 -0.252 0.000 1.374 161 I CB -0.303 37.514 38.000 -0.305 0.000 1.057 161 I HN 0.727 nan 8.210 nan 0.000 0.413 162 N N 0.573 119.079 118.700 -0.323 0.000 2.520 162 N HA -0.130 4.610 4.740 0.001 0.000 0.185 162 N C 1.410 176.931 175.510 0.018 0.000 1.068 162 N CA 0.663 53.605 53.050 -0.179 0.000 0.911 162 N CB -0.095 38.318 38.487 -0.125 0.000 0.961 162 N HN 0.390 nan 8.380 nan 0.000 0.446 163 E N -0.097 120.118 120.200 0.026 0.000 2.358 163 E HA 0.038 4.388 4.350 0.001 0.000 0.195 163 E C 1.366 178.122 176.600 0.260 0.000 1.010 163 E CA 0.201 56.709 56.400 0.181 0.000 0.856 163 E CB 0.075 29.768 29.700 -0.013 0.000 0.795 163 E HN 0.438 nan 8.360 nan 0.000 0.504 164 I N 1.504 122.144 120.570 0.116 0.000 2.286 164 I HA -0.271 3.900 4.170 0.001 0.000 0.248 164 I C 1.388 177.583 176.117 0.129 0.000 1.115 164 I CA 1.214 62.587 61.300 0.122 0.000 1.392 164 I CB -0.235 37.825 38.000 0.100 0.000 1.065 164 I HN 0.010 nan 8.210 nan 0.000 0.418 165 D N 0.861 121.346 120.400 0.142 0.000 2.221 165 D HA -0.150 4.491 4.640 0.001 0.000 0.204 165 D C 1.090 177.385 176.300 -0.008 0.000 0.982 165 D CA 1.050 55.103 54.000 0.089 0.000 0.857 165 D CB -0.208 40.657 40.800 0.108 0.000 0.934 165 D HN 0.340 nan 8.370 nan 0.000 0.475 166 N N -0.307 118.333 118.700 -0.100 0.000 2.338 166 N HA 0.024 4.764 4.740 0.001 0.000 0.251 166 N C -0.182 175.169 175.510 -0.264 0.000 1.199 166 N CA 0.044 52.909 53.050 -0.309 0.000 0.879 166 N CB 1.066 39.160 38.487 -0.655 0.000 1.159 166 N HN 0.023 nan 8.380 nan 0.000 0.514 167 T N 0.043 114.577 114.554 -0.034 0.000 2.882 167 T HA 0.093 4.444 4.350 0.001 0.000 0.287 167 T C 0.901 175.610 174.700 0.016 0.000 1.014 167 T CA -0.001 62.123 62.100 0.042 0.000 1.049 167 T CB 1.164 70.095 68.868 0.104 0.000 1.001 167 T HN 0.051 nan 8.240 nan 0.000 0.525 168 D N 1.608 122.021 120.400 0.021 0.000 2.305 168 D HA 0.141 4.781 4.640 0.001 0.000 0.206 168 D C 0.270 176.599 176.300 0.049 0.000 0.974 168 D CA 0.543 54.553 54.000 0.017 0.000 0.871 168 D CB 0.465 41.264 40.800 -0.002 0.000 0.947 168 D HN 0.280 nan 8.370 nan 0.000 0.516 169 L N 0.778 122.050 121.223 0.081 0.000 2.505 169 L HA 0.245 4.585 4.340 0.001 0.000 0.266 169 L C -1.533 175.458 176.870 0.201 0.000 0.954 169 L CA -0.586 54.339 54.840 0.143 0.000 0.852 169 L CB 2.430 44.591 42.059 0.170 0.000 1.282 169 L HN -0.372 nan 8.230 nan 0.000 0.403 170 V N 4.595 124.631 119.914 0.203 0.000 2.364 170 V HA 0.289 4.409 4.120 0.001 0.000 0.272 170 V C -0.434 175.847 176.094 0.311 0.000 1.036 170 V CA -0.185 62.259 62.300 0.240 0.000 0.880 170 V CB 1.044 32.974 31.823 0.178 0.000 0.991 170 V HN 0.576 nan 8.190 nan 0.000 0.460 171 F N 5.837 125.932 119.950 0.241 0.000 2.303 171 F HA 0.535 5.063 4.527 0.001 0.000 0.368 171 F C 0.043 176.010 175.800 0.279 0.000 1.105 171 F CA -0.426 57.724 58.000 0.250 0.000 1.153 171 F CB 0.923 40.068 39.000 0.240 0.000 1.362 171 F HN 0.291 nan 8.300 nan 0.000 0.511 172 V N 7.367 127.336 119.914 0.092 0.000 2.385 172 V HA 0.186 4.307 4.120 0.001 0.000 0.269 172 V C -0.622 175.552 176.094 0.133 0.000 1.043 172 V CA -0.418 62.007 62.300 0.208 0.000 0.906 172 V CB 0.782 32.695 31.823 0.151 0.000 0.995 172 V HN 0.564 nan 8.190 nan 0.000 0.467 173 F N 3.731 123.817 119.950 0.227 0.000 2.499 173 F HA 0.674 5.202 4.527 0.001 0.000 0.333 173 F C 0.791 176.825 175.800 0.391 0.000 1.138 173 F CA -0.021 58.117 58.000 0.229 0.000 0.945 173 F CB 1.566 40.774 39.000 0.347 0.000 1.181 173 F HN 0.735 nan 8.300 nan 0.000 0.435 174 G N 4.589 113.440 108.800 0.084 0.000 2.338 174 G HA2 -0.299 3.662 3.960 0.001 0.000 0.296 174 G HA3 -0.299 3.662 3.960 0.001 0.000 0.296 174 G C -1.228 174.012 174.900 0.567 0.000 1.040 174 G CA 0.598 45.950 45.100 0.420 0.000 1.004 174 G HN 1.035 nan 8.290 nan 0.000 0.509 175 Y N -0.517 119.920 120.300 0.229 0.000 2.442 175 Y HA 0.578 5.129 4.550 0.001 0.000 0.330 175 Y C -0.875 175.103 175.900 0.130 0.000 1.100 175 Y CA -2.364 55.865 58.100 0.216 0.000 1.034 175 Y CB 1.813 40.417 38.460 0.240 0.000 1.285 175 Y HN 0.107 nan 8.280 nan 0.000 0.440 176 N N 7.677 126.196 118.700 -0.302 0.000 2.765 176 N HA 0.381 5.122 4.740 0.001 0.000 0.277 176 N C -2.401 172.883 175.510 -0.377 0.000 1.750 176 N CA -2.280 50.599 53.050 -0.285 0.000 0.827 176 N CB 1.085 39.515 38.487 -0.096 0.000 1.200 176 N HN 0.315 nan 8.380 nan 0.000 0.494 177 P HA -0.121 nan 4.420 nan 0.000 0.220 177 P C 1.139 178.378 177.300 -0.103 0.000 1.148 177 P CA 0.802 63.694 63.100 -0.347 0.000 0.803 177 P CB 0.249 31.759 31.700 -0.316 0.000 0.782 178 A N 0.744 123.493 122.820 -0.118 0.000 1.927 178 A HA -0.224 4.096 4.320 0.001 0.000 0.220 178 A C 2.038 179.593 177.584 -0.048 0.000 1.185 178 A CA 2.257 54.254 52.037 -0.066 0.000 0.639 178 A CB -1.135 17.817 19.000 -0.079 0.000 0.820 178 A HN 0.147 nan 8.150 nan 0.000 0.451 179 D N -1.749 118.615 120.400 -0.059 0.000 2.338 179 D HA 0.084 4.725 4.640 0.001 0.000 0.208 179 D C 1.959 178.236 176.300 -0.038 0.000 0.997 179 D CA 0.913 54.889 54.000 -0.039 0.000 0.880 179 D CB 0.276 41.056 40.800 -0.034 0.000 0.980 179 D HN 0.373 nan 8.370 nan 0.000 0.509 180 S N -0.533 115.143 115.700 -0.040 0.000 2.404 180 S HA -0.006 4.464 4.470 0.001 0.000 0.223 180 S C 0.149 174.582 174.600 -0.279 0.000 1.040 180 S CA 0.459 58.609 58.200 -0.083 0.000 0.957 180 S CB 0.278 63.553 63.200 0.125 0.000 0.826 180 S HN 0.270 nan 8.310 nan 0.000 0.491 181 H N -0.786 118.331 119.070 0.078 0.000 2.600 181 H HA 0.296 4.853 4.556 0.001 0.000 0.224 181 H C -2.375 173.003 175.328 0.084 0.000 1.413 181 H CA -1.167 54.956 56.048 0.125 0.000 1.401 181 H CB 0.910 30.800 29.762 0.213 0.000 1.772 181 H HN 0.075 nan 8.280 nan 0.000 0.528 182 P HA -0.212 nan 4.420 nan 0.000 0.217 182 P C 1.253 178.615 177.300 0.103 0.000 1.151 182 P CA 1.211 64.357 63.100 0.078 0.000 0.849 182 P CB 0.364 32.091 31.700 0.045 0.000 0.787 183 I N -1.616 119.041 120.570 0.145 0.000 2.353 183 I HA -0.153 4.018 4.170 0.001 0.000 0.248 183 I C 2.170 178.448 176.117 0.268 0.000 1.119 183 I CA 1.150 62.548 61.300 0.163 0.000 1.417 183 I CB -0.856 37.245 38.000 0.169 0.000 1.078 183 I HN -0.212 nan 8.210 nan 0.000 0.421 184 V N 0.639 120.720 119.914 0.280 0.000 2.343 184 V HA -0.287 3.834 4.120 0.001 0.000 0.247 184 V C 2.669 178.898 176.094 0.224 0.000 1.051 184 V CA 1.747 64.211 62.300 0.273 0.000 1.036 184 V CB -1.332 30.625 31.823 0.225 0.000 0.654 184 V HN 0.485 nan 8.190 nan 0.000 0.451 185 A N 0.518 123.427 122.820 0.149 0.000 1.940 185 A HA -0.240 4.080 4.320 0.001 0.000 0.219 185 A C 2.041 179.661 177.584 0.061 0.000 1.176 185 A CA 2.082 54.163 52.037 0.073 0.000 0.631 185 A CB -0.674 18.334 19.000 0.015 0.000 0.814 185 A HN 0.591 nan 8.150 nan 0.000 0.446 186 N N -0.299 118.431 118.700 0.050 0.000 2.166 186 N HA -0.127 4.614 4.740 0.001 0.000 0.186 186 N C 1.523 176.994 175.510 -0.065 0.000 1.019 186 N CA 1.390 54.423 53.050 -0.029 0.000 0.856 186 N CB -0.619 37.820 38.487 -0.081 0.000 0.993 186 N HN 0.644 nan 8.380 nan 0.000 0.426 187 H N -0.161 118.928 119.070 0.031 0.000 2.423 187 H HA 0.030 4.587 4.556 0.001 0.000 0.297 187 H C 1.930 177.280 175.328 0.037 0.000 1.075 187 H CA 0.875 56.941 56.048 0.030 0.000 1.342 187 H CB 0.069 29.852 29.762 0.035 0.000 1.395 187 H HN 0.018 nan 8.280 nan 0.000 0.530 188 V N 1.229 121.236 119.914 0.156 0.000 2.307 188 V HA -0.205 3.916 4.120 0.001 0.000 0.245 188 V C 2.667 178.797 176.094 0.061 0.000 1.045 188 V CA 1.263 63.628 62.300 0.109 0.000 1.024 188 V CB -0.451 31.432 31.823 0.101 0.000 0.651 188 V HN 0.265 nan 8.190 nan 0.000 0.449 189 I N 0.536 121.127 120.570 0.034 0.000 2.151 189 I HA -0.323 3.847 4.170 0.001 0.000 0.243 189 I C 2.497 178.615 176.117 0.001 0.000 1.080 189 I CA 2.124 63.429 61.300 0.008 0.000 1.339 189 I CB -0.582 37.412 38.000 -0.010 0.000 1.039 189 I HN 0.444 nan 8.210 nan 0.000 0.409 190 N N 0.892 119.587 118.700 -0.009 0.000 2.166 190 N HA -0.185 4.556 4.740 0.001 0.000 0.186 190 N C 1.958 177.472 175.510 0.006 0.000 1.019 190 N CA 1.268 54.307 53.050 -0.018 0.000 0.856 190 N CB 0.089 38.544 38.487 -0.053 0.000 0.993 190 N HN 0.352 nan 8.380 nan 0.000 0.426 191 A N 1.443 124.282 122.820 0.033 0.000 1.908 191 A HA -0.204 4.117 4.320 0.001 0.000 0.218 191 A C 2.133 179.731 177.584 0.024 0.000 1.181 191 A CA 1.714 53.772 52.037 0.035 0.000 0.627 191 A CB -0.558 18.481 19.000 0.066 0.000 0.818 191 A HN 0.294 nan 8.150 nan 0.000 0.445 192 K N 0.174 120.590 120.400 0.026 0.000 2.057 192 K HA -0.091 4.229 4.320 0.001 0.000 0.207 192 K C 2.066 178.671 176.600 0.008 0.000 1.049 192 K CA 1.718 58.017 56.287 0.020 0.000 0.931 192 K CB -0.404 32.107 32.500 0.019 0.000 0.714 192 K HN 0.462 nan 8.250 nan 0.000 0.440 193 R N 0.220 120.721 120.500 0.001 0.000 2.103 193 R HA -0.074 4.266 4.340 0.001 0.000 0.242 193 R C 1.472 177.768 176.300 -0.007 0.000 1.142 193 R CA 1.570 57.667 56.100 -0.006 0.000 0.960 193 R CB -0.503 29.790 30.300 -0.013 0.000 0.858 193 R HN 0.277 nan 8.270 nan 0.000 0.439 194 N N -0.535 118.160 118.700 -0.008 0.000 2.571 194 N HA -0.011 4.729 4.740 0.001 0.000 0.189 194 N C 0.797 176.300 175.510 -0.012 0.000 1.154 194 N CA 1.133 54.175 53.050 -0.014 0.000 0.907 194 N CB 0.704 39.177 38.487 -0.023 0.000 0.977 194 N HN 0.491 nan 8.380 nan 0.000 0.449 195 G N -0.999 107.799 108.800 -0.002 0.000 2.141 195 G HA2 -0.207 3.754 3.960 0.001 0.000 0.231 195 G HA3 -0.207 3.754 3.960 0.001 0.000 0.231 195 G C 0.226 175.132 174.900 0.011 0.000 0.984 195 G CA 0.048 45.150 45.100 0.003 0.000 0.660 195 G HN 0.595 nan 8.290 nan 0.000 0.525 196 A N 0.023 122.853 122.820 0.017 0.000 2.445 196 A HA 0.630 4.950 4.320 0.001 0.000 0.242 196 A C 0.720 178.332 177.584 0.046 0.000 1.075 196 A CA 0.497 52.554 52.037 0.033 0.000 0.777 196 A CB 0.380 19.407 19.000 0.045 0.000 1.013 196 A HN 0.472 nan 8.150 nan 0.000 0.493 197 K N 0.435 120.872 120.400 0.062 0.000 2.126 197 K HA 0.594 4.915 4.320 0.001 0.000 0.257 197 K C -0.938 175.720 176.600 0.097 0.000 1.007 197 K CA 0.112 56.444 56.287 0.075 0.000 0.928 197 K CB 0.958 33.511 32.500 0.088 0.000 1.013 197 K HN 0.589 nan 8.250 nan 0.000 0.473 198 I N 2.823 123.447 120.570 0.090 0.000 2.512 198 I HA 0.323 4.494 4.170 0.001 0.000 0.287 198 I C -0.804 175.360 176.117 0.079 0.000 1.069 198 I CA -0.572 60.782 61.300 0.090 0.000 1.056 198 I CB 1.534 39.569 38.000 0.057 0.000 1.229 198 I HN 0.390 nan 8.210 nan 0.000 0.429 199 I N 6.625 127.242 120.570 0.077 0.000 2.404 199 I HA 0.455 4.626 4.170 0.001 0.000 0.293 199 I C -0.688 175.349 176.117 -0.134 0.000 0.992 199 I CA -0.926 60.370 61.300 -0.006 0.000 1.149 199 I CB 2.142 40.157 38.000 0.026 0.000 1.315 199 I HN 0.142 nan 8.210 nan 0.000 0.446 200 V N 5.459 125.313 119.914 -0.101 0.000 2.409 200 V HA 0.280 4.401 4.120 0.001 0.000 0.291 200 V C -0.522 175.513 176.094 -0.099 0.000 1.020 200 V CA -0.497 61.734 62.300 -0.115 0.000 0.848 200 V CB 1.651 33.414 31.823 -0.100 0.000 0.990 200 V HN 0.807 nan 8.190 nan 0.000 0.430 201 C N 4.234 123.397 119.300 -0.228 0.000 2.225 201 C HA 0.682 5.142 4.460 0.001 0.000 0.323 201 C C -0.240 174.562 174.990 -0.313 0.000 1.164 201 C CA -0.527 58.329 59.018 -0.270 0.000 1.565 201 C CB -0.855 26.634 27.740 -0.419 0.000 2.124 201 C HN 0.893 nan 8.230 nan 0.000 0.461 202 D N 3.127 123.459 120.400 -0.112 0.000 2.871 202 D HA 0.215 4.855 4.640 0.001 0.000 0.209 202 D C -2.184 174.148 176.300 0.054 0.000 1.292 202 D CA -0.968 52.981 54.000 -0.084 0.000 0.869 202 D CB 2.776 43.526 40.800 -0.083 0.000 1.663 202 D HN -0.018 nan 8.370 nan 0.000 0.557 203 P HA -0.086 nan 4.420 nan 0.000 0.216 203 P C 0.177 177.520 177.300 0.071 0.000 1.153 203 P CA 1.176 64.299 63.100 0.039 0.000 0.858 203 P CB 0.311 32.077 31.700 0.109 0.000 0.789 204 R N -0.087 120.392 120.500 -0.035 0.000 2.543 204 R HA 0.283 4.623 4.340 0.001 0.000 0.268 204 R C 0.354 176.617 176.300 -0.062 0.000 1.067 204 R CA -0.555 55.471 56.100 -0.125 0.000 1.142 204 R CB 0.427 30.482 30.300 -0.409 0.000 1.110 204 R HN -0.029 nan 8.270 nan 0.000 0.549 205 K N 2.947 123.299 120.400 -0.080 0.000 2.187 205 K HA 0.146 4.467 4.320 0.001 0.000 0.242 205 K C 0.387 176.850 176.600 -0.229 0.000 1.179 205 K CA -0.129 56.047 56.287 -0.185 0.000 1.097 205 K CB -0.379 32.091 32.500 -0.050 0.000 1.634 205 K HN 0.443 nan 8.250 nan 0.000 0.335 206 I N -2.224 118.172 120.570 -0.290 0.000 3.138 206 I HA 0.076 4.246 4.170 0.001 0.000 0.288 206 I C 1.382 177.383 176.117 -0.193 0.000 1.148 206 I CA -0.618 60.550 61.300 -0.219 0.000 1.315 206 I CB 0.761 38.638 38.000 -0.206 0.000 1.426 206 I HN 0.244 nan 8.210 nan 0.000 0.615 207 E N 1.810 121.924 120.200 -0.144 0.000 2.070 207 E HA -0.183 4.167 4.350 0.001 0.000 0.197 207 E C 2.026 178.557 176.600 -0.115 0.000 1.004 207 E CA 2.357 58.689 56.400 -0.114 0.000 0.805 207 E CB -0.520 29.126 29.700 -0.090 0.000 0.744 207 E HN 0.863 nan 8.360 nan 0.000 0.451 208 T N 1.067 115.547 114.554 -0.124 0.000 2.929 208 T HA -0.093 4.257 4.350 0.001 0.000 0.271 208 T C 1.863 176.489 174.700 -0.122 0.000 1.085 208 T CA 1.153 63.191 62.100 -0.104 0.000 1.125 208 T CB -0.143 68.667 68.868 -0.097 0.000 0.874 208 T HN 0.258 nan 8.240 nan 0.000 0.494 209 A N 1.755 124.453 122.820 -0.204 0.000 1.969 209 A HA -0.040 4.280 4.320 0.001 0.000 0.218 209 A C 2.384 179.884 177.584 -0.140 0.000 1.169 209 A CA 0.938 52.815 52.037 -0.266 0.000 0.635 209 A CB -0.449 18.164 19.000 -0.645 0.000 0.810 209 A HN 0.355 nan 8.150 nan 0.000 0.445 210 R N -0.242 120.188 120.500 -0.116 0.000 2.117 210 R HA -0.163 4.177 4.340 0.001 0.000 0.243 210 R C 1.717 177.994 176.300 -0.038 0.000 1.143 210 R CA 1.864 57.926 56.100 -0.064 0.000 0.968 210 R CB -0.529 29.735 30.300 -0.061 0.000 0.863 210 R HN 0.829 nan 8.270 nan 0.000 0.444 211 I N -2.974 117.572 120.570 -0.039 0.000 3.956 211 I HA 0.308 4.479 4.170 0.001 0.000 0.333 211 I C 0.419 176.533 176.117 -0.006 0.000 1.302 211 I CA -0.432 60.857 61.300 -0.019 0.000 1.122 211 I CB 0.402 38.392 38.000 -0.017 0.000 1.013 211 I HN -0.179 nan 8.210 nan 0.000 0.405 212 A N 1.348 124.161 122.820 -0.011 0.000 2.388 212 A HA 0.211 4.531 4.320 0.001 0.000 0.257 212 A C 0.389 177.991 177.584 0.031 0.000 1.095 212 A CA -0.094 51.950 52.037 0.010 0.000 0.791 212 A CB 0.182 19.183 19.000 0.001 0.000 1.029 212 A HN 0.397 nan 8.150 nan 0.000 0.489 213 D N 0.693 121.119 120.400 0.044 0.000 2.144 213 D HA 0.016 4.656 4.640 0.001 0.000 0.200 213 D C 0.237 176.572 176.300 0.058 0.000 0.978 213 D CA 1.425 55.456 54.000 0.051 0.000 0.833 213 D CB -0.010 40.826 40.800 0.061 0.000 0.961 213 D HN 0.578 nan 8.370 nan 0.000 0.470 214 M N -0.336 119.304 119.600 0.067 0.000 2.267 214 M HA 0.195 4.675 4.480 0.001 0.000 0.289 214 M C -1.162 175.196 176.300 0.097 0.000 1.043 214 M CA -0.477 54.867 55.300 0.073 0.000 0.928 214 M CB 2.932 35.576 32.600 0.074 0.000 1.613 214 M HN -0.007 nan 8.290 nan 0.000 0.450 215 H N 4.693 123.748 119.070 -0.025 0.000 2.685 215 H HA 0.457 5.014 4.556 0.001 0.000 0.286 215 H C -1.208 174.091 175.328 -0.047 0.000 1.102 215 H CA -0.577 55.441 56.048 -0.049 0.000 1.254 215 H CB 0.696 30.429 29.762 -0.048 0.000 1.397 215 H HN 0.686 nan 8.280 nan 0.000 0.473 216 I N 5.449 126.004 120.570 -0.026 0.000 2.278 216 I HA 0.096 4.267 4.170 0.001 0.000 0.296 216 I C 0.610 176.581 176.117 -0.242 0.000 1.121 216 I CA -0.197 61.026 61.300 -0.128 0.000 1.267 216 I CB 0.730 38.709 38.000 -0.034 0.000 1.447 216 I HN 0.629 nan 8.210 nan 0.000 0.509 217 A N 8.558 131.090 122.820 -0.479 0.000 3.056 217 A HA 0.378 4.698 4.320 0.001 0.000 0.274 217 A C 0.306 177.775 177.584 -0.191 0.000 1.661 217 A CA -0.485 51.275 52.037 -0.461 0.000 1.363 217 A CB -0.567 18.075 19.000 -0.598 0.000 1.139 217 A HN 0.778 nan 8.150 nan 0.000 0.598 218 L N -1.440 119.703 121.223 -0.133 0.000 2.417 218 L HA 0.449 4.789 4.340 0.001 0.000 0.268 218 L C 0.131 176.969 176.870 -0.054 0.000 1.158 218 L CA -0.817 53.968 54.840 -0.091 0.000 0.819 218 L CB 0.499 42.507 42.059 -0.084 0.000 1.112 218 L HN 0.271 nan 8.230 nan 0.000 0.458 219 K N 2.343 122.723 120.400 -0.033 0.000 2.448 219 K HA 0.056 4.376 4.320 0.001 0.000 0.278 219 K C -0.272 176.361 176.600 0.055 0.000 1.009 219 K CA -0.014 56.287 56.287 0.023 0.000 0.995 219 K CB 0.058 32.575 32.500 0.027 0.000 0.917 219 K HN 0.629 nan 8.250 nan 0.000 0.481 220 N N 1.062 119.837 118.700 0.125 0.000 2.294 220 N HA -0.021 4.720 4.740 0.001 0.000 0.263 220 N C 0.985 176.647 175.510 0.254 0.000 1.281 220 N CA 1.464 54.630 53.050 0.193 0.000 0.846 220 N CB 0.344 38.991 38.487 0.266 0.000 1.061 220 N HN 0.809 nan 8.380 nan 0.000 0.478 221 G N 0.481 109.358 108.800 0.129 0.000 2.176 221 G HA2 -0.330 3.631 3.960 0.001 0.000 0.253 221 G HA3 -0.330 3.631 3.960 0.001 0.000 0.253 221 G C 0.664 175.722 174.900 0.265 0.000 0.979 221 G CA 0.490 45.645 45.100 0.091 0.000 0.641 221 G HN 0.780 nan 8.290 nan 0.000 0.530 222 S N -0.020 115.777 115.700 0.160 0.000 2.679 222 S HA 0.197 4.667 4.470 0.001 0.000 0.233 222 S C 1.645 176.263 174.600 0.031 0.000 0.951 222 S CA 0.543 58.757 58.200 0.023 0.000 0.973 222 S CB -0.184 62.922 63.200 -0.157 0.000 0.778 222 S HN 0.473 nan 8.310 nan 0.000 0.477 223 N N 2.381 121.218 118.700 0.228 0.000 2.058 223 N HA -0.036 4.704 4.740 0.001 0.000 0.191 223 N C 1.512 177.154 175.510 0.220 0.000 1.037 223 N CA 1.386 54.623 53.050 0.311 0.000 0.848 223 N CB -0.255 38.511 38.487 0.466 0.000 1.021 223 N HN 0.378 nan 8.380 nan 0.000 0.422 224 I N 1.687 122.395 120.570 0.230 0.000 2.394 224 I HA -0.145 4.026 4.170 0.001 0.000 0.251 224 I C 2.441 178.546 176.117 -0.019 0.000 1.136 224 I CA 0.496 61.858 61.300 0.103 0.000 1.425 224 I CB -1.287 36.793 38.000 0.134 0.000 1.079 224 I HN 0.017 nan 8.210 nan 0.000 0.425 225 A N 0.827 123.615 122.820 -0.053 0.000 1.877 225 A HA -0.224 4.097 4.320 0.001 0.000 0.216 225 A C 2.328 179.846 177.584 -0.109 0.000 1.186 225 A CA 1.516 53.441 52.037 -0.186 0.000 0.620 225 A CB -0.895 17.704 19.000 -0.668 0.000 0.822 225 A HN 0.363 nan 8.150 nan 0.000 0.443 226 L N -0.236 120.944 121.223 -0.071 0.000 2.017 226 L HA -0.095 4.245 4.340 0.001 0.000 0.208 226 L C 2.347 179.243 176.870 0.043 0.000 1.073 226 L CA 1.710 56.561 54.840 0.018 0.000 0.745 226 L CB -0.472 41.648 42.059 0.101 0.000 0.894 226 L HN 0.408 nan 8.230 nan 0.000 0.432 227 L N -0.441 120.801 121.223 0.032 0.000 2.046 227 L HA -0.218 4.122 4.340 0.001 0.000 0.208 227 L C 2.274 179.109 176.870 -0.058 0.000 1.077 227 L CA 1.203 56.029 54.840 -0.023 0.000 0.747 227 L CB -0.795 41.204 42.059 -0.099 0.000 0.896 227 L HN 0.358 nan 8.230 nan 0.000 0.432 228 N N 0.186 118.790 118.700 -0.161 0.000 2.166 228 N HA -0.129 4.612 4.740 0.001 0.000 0.186 228 N C 1.830 177.285 175.510 -0.092 0.000 1.019 228 N CA 1.475 54.357 53.050 -0.280 0.000 0.856 228 N CB -0.274 37.776 38.487 -0.728 0.000 0.993 228 N HN 0.308 nan 8.380 nan 0.000 0.426 229 A N 0.552 123.365 122.820 -0.011 0.000 1.929 229 A HA -0.017 4.303 4.320 0.001 0.000 0.216 229 A C 2.213 179.871 177.584 0.123 0.000 1.176 229 A CA 0.896 52.974 52.037 0.067 0.000 0.628 229 A CB -0.369 18.648 19.000 0.028 0.000 0.816 229 A HN 0.176 nan 8.150 nan 0.000 0.444 230 M N -0.586 119.071 119.600 0.095 0.000 2.117 230 M HA -0.113 4.367 4.480 0.001 0.000 0.262 230 M C 2.305 178.692 176.300 0.144 0.000 1.065 230 M CA 1.527 56.899 55.300 0.119 0.000 1.114 230 M CB -0.599 32.054 32.600 0.089 0.000 1.361 230 M HN 0.510 nan 8.290 nan 0.000 0.408 231 G N -1.243 107.642 108.800 0.141 0.000 2.408 231 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 231 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 231 G C 1.144 176.148 174.900 0.172 0.000 1.150 231 G CA 1.305 46.537 45.100 0.220 0.000 0.776 231 G HN 0.520 nan 8.290 nan 0.000 0.542 232 H N 0.123 119.210 119.070 0.028 0.000 2.290 232 H HA -0.064 4.492 4.556 0.001 0.000 0.298 232 H C 2.568 177.936 175.328 0.067 0.000 1.087 232 H CA 1.983 58.044 56.048 0.021 0.000 1.291 232 H CB -0.158 29.617 29.762 0.021 0.000 1.369 232 H HN 0.096 nan 8.280 nan 0.000 0.492 233 V N 0.782 120.820 119.914 0.207 0.000 2.287 233 V HA -0.263 3.857 4.120 0.001 0.000 0.248 233 V C 2.622 178.784 176.094 0.114 0.000 1.053 233 V CA 2.068 64.458 62.300 0.150 0.000 1.027 233 V CB -0.545 31.381 31.823 0.171 0.000 0.646 233 V HN 0.479 nan 8.190 nan 0.000 0.447 234 I N -0.588 120.076 120.570 0.156 0.000 2.286 234 I HA -0.253 3.918 4.170 0.001 0.000 0.248 234 I C 2.239 178.514 176.117 0.263 0.000 1.115 234 I CA 1.757 63.178 61.300 0.202 0.000 1.392 234 I CB -0.240 37.901 38.000 0.235 0.000 1.065 234 I HN 0.262 nan 8.210 nan 0.000 0.418 235 I N 0.682 121.369 120.570 0.194 0.000 2.277 235 I HA -0.242 3.928 4.170 0.001 0.000 0.243 235 I C 2.622 178.841 176.117 0.170 0.000 1.094 235 I CA 1.360 62.790 61.300 0.216 0.000 1.393 235 I CB -0.302 37.709 38.000 0.017 0.000 1.078 235 I HN 0.289 nan 8.210 nan 0.000 0.417 236 E N 1.428 121.616 120.200 -0.020 0.000 2.208 236 E HA -0.192 4.158 4.350 0.001 0.000 0.193 236 E C 1.468 178.082 176.600 0.022 0.000 0.988 236 E CA 1.114 57.476 56.400 -0.063 0.000 0.828 236 E CB -0.126 29.417 29.700 -0.261 0.000 0.763 236 E HN 0.494 nan 8.360 nan 0.000 0.478 237 E N 0.399 120.632 120.200 0.056 0.000 2.463 237 E HA 0.086 4.436 4.350 0.001 0.000 0.193 237 E C -0.309 176.329 176.600 0.063 0.000 1.041 237 E CA -0.161 56.274 56.400 0.058 0.000 0.879 237 E CB 0.097 29.834 29.700 0.062 0.000 0.997 237 E HN 0.247 nan 8.360 nan 0.000 0.478 238 N N 0.700 119.467 118.700 0.112 0.000 2.758 238 N HA -0.191 4.549 4.740 0.001 0.000 0.248 238 N C 0.256 175.727 175.510 -0.066 0.000 1.076 238 N CA 0.468 53.535 53.050 0.029 0.000 0.696 238 N CB -1.200 37.266 38.487 -0.035 0.000 0.979 238 N HN 0.299 nan 8.380 nan 0.000 0.550 239 L N -0.446 120.818 121.223 0.069 0.000 2.607 239 L HA 0.095 4.436 4.340 0.001 0.000 0.228 239 L C 1.043 177.955 176.870 0.070 0.000 1.123 239 L CA -0.242 54.625 54.840 0.045 0.000 0.890 239 L CB -0.225 41.888 42.059 0.090 0.000 1.103 239 L HN 0.236 nan 8.230 nan 0.000 0.468 240 Y N -1.992 118.339 120.300 0.052 0.000 2.295 240 Y HA 0.379 4.929 4.550 0.001 0.000 0.331 240 Y C 0.192 176.105 175.900 0.021 0.000 1.311 240 Y CA -1.537 56.597 58.100 0.057 0.000 1.430 240 Y CB 0.164 38.693 38.460 0.115 0.000 1.339 240 Y HN -0.158 nan 8.280 nan 0.000 0.552 241 D N 1.452 121.948 120.400 0.161 0.000 2.479 241 D HA 0.140 4.781 4.640 0.001 0.000 0.218 241 D C 0.242 176.632 176.300 0.148 0.000 1.131 241 D CA -0.238 53.806 54.000 0.075 0.000 0.916 241 D CB 0.626 41.469 40.800 0.072 0.000 1.022 241 D HN 0.685 nan 8.370 nan 0.000 0.515 242 K N 2.024 122.399 120.400 -0.041 0.000 2.057 242 K HA -0.122 4.199 4.320 0.001 0.000 0.207 242 K C 1.798 178.426 176.600 0.047 0.000 1.049 242 K CA 1.094 57.374 56.287 -0.011 0.000 0.931 242 K CB 0.008 32.409 32.500 -0.165 0.000 0.714 242 K HN 0.374 nan 8.250 nan 0.000 0.440 243 A N 1.496 124.346 122.820 0.050 0.000 1.883 243 A HA -0.194 4.127 4.320 0.001 0.000 0.217 243 A C 2.045 179.694 177.584 0.108 0.000 1.186 243 A CA 1.339 53.413 52.037 0.062 0.000 0.624 243 A CB -0.744 18.292 19.000 0.060 0.000 0.822 243 A HN 0.335 nan 8.150 nan 0.000 0.444 244 F N 0.512 120.483 119.950 0.035 0.000 2.113 244 F HA -0.133 4.395 4.527 0.001 0.000 0.297 244 F C 2.287 178.139 175.800 0.087 0.000 1.103 244 F CA 1.862 59.901 58.000 0.066 0.000 1.248 244 F CB -0.270 38.774 39.000 0.074 0.000 0.999 244 F HN 0.031 nan 8.300 nan 0.000 0.475 245 V N 0.650 120.747 119.914 0.306 0.000 2.255 245 V HA -0.365 3.755 4.120 0.001 0.000 0.247 245 V C 2.747 178.863 176.094 0.036 0.000 1.051 245 V CA 1.991 64.411 62.300 0.200 0.000 1.018 245 V CB -1.612 30.253 31.823 0.069 0.000 0.641 245 V HN 0.491 nan 8.190 nan 0.000 0.445 246 A N 0.509 123.326 122.820 -0.005 0.000 1.883 246 A HA -0.229 4.091 4.320 0.001 0.000 0.217 246 A C 2.478 180.042 177.584 -0.033 0.000 1.186 246 A CA 2.723 54.745 52.037 -0.024 0.000 0.624 246 A CB -0.700 18.288 19.000 -0.020 0.000 0.822 246 A HN 0.712 nan 8.150 nan 0.000 0.444 247 S N -2.437 113.224 115.700 -0.066 0.000 2.486 247 S HA 0.148 4.619 4.470 0.001 0.000 0.220 247 S C 1.580 176.101 174.600 -0.131 0.000 1.011 247 S CA 0.287 58.436 58.200 -0.085 0.000 0.921 247 S CB 0.079 63.231 63.200 -0.079 0.000 0.785 247 S HN 0.471 nan 8.310 nan 0.000 0.517 248 R N 1.394 121.752 120.500 -0.238 0.000 2.509 248 R HA 0.253 4.594 4.340 0.001 0.000 0.297 248 R C 0.065 176.280 176.300 -0.141 0.000 0.951 248 R CA 0.702 56.641 56.100 -0.270 0.000 1.103 248 R CB 1.074 30.901 30.300 -0.787 0.000 1.283 248 R HN 0.661 nan 8.270 nan 0.000 0.534 249 T N -1.453 113.052 114.554 -0.083 0.000 2.883 249 T HA 0.544 4.895 4.350 0.001 0.000 0.296 249 T C -0.703 174.048 174.700 0.084 0.000 1.117 249 T CA -0.794 61.302 62.100 -0.006 0.000 1.006 249 T CB 2.942 71.893 68.868 0.139 0.000 1.191 249 T HN 0.144 nan 8.240 nan 0.000 0.508 250 E N -0.392 119.883 120.200 0.125 0.000 2.416 250 E HA 0.637 4.988 4.350 0.001 0.000 0.273 250 E C 0.440 177.205 176.600 0.275 0.000 0.935 250 E CA -1.289 55.209 56.400 0.164 0.000 0.784 250 E CB 1.335 31.083 29.700 0.080 0.000 1.301 250 E HN 1.519 nan 8.360 nan 0.000 0.454 251 G N 0.487 109.405 108.800 0.197 0.000 2.159 251 G HA2 -0.328 3.632 3.960 0.001 0.000 0.227 251 G HA3 -0.328 3.632 3.960 0.001 0.000 0.227 251 G C 0.149 175.062 174.900 0.021 0.000 0.986 251 G CA 0.170 45.367 45.100 0.162 0.000 0.651 251 G HN 0.535 nan 8.290 nan 0.000 0.523 252 F N 1.567 121.342 119.950 -0.291 0.000 2.134 252 F HA 0.048 4.575 4.527 0.001 0.000 0.299 252 F C 2.292 177.854 175.800 -0.395 0.000 1.097 252 F CA 2.318 59.849 58.000 -0.782 0.000 1.264 252 F CB 0.136 38.749 39.000 -0.644 0.000 1.001 252 F HN 0.185 nan 8.300 nan 0.000 0.479 253 E N 0.559 120.627 120.200 -0.221 0.000 2.106 253 E HA -0.183 4.167 4.350 0.001 0.000 0.192 253 E C 1.998 178.440 176.600 -0.263 0.000 0.984 253 E CA 1.533 57.786 56.400 -0.245 0.000 0.806 253 E CB -0.323 29.355 29.700 -0.036 0.000 0.750 253 E HN 0.573 nan 8.360 nan 0.000 0.458 254 E N -0.056 120.040 120.200 -0.174 0.000 2.106 254 E HA -0.157 4.193 4.350 0.001 0.000 0.192 254 E C 1.872 178.359 176.600 -0.188 0.000 0.984 254 E CA 0.756 57.073 56.400 -0.139 0.000 0.806 254 E CB -0.432 29.228 29.700 -0.066 0.000 0.750 254 E HN 0.339 nan 8.360 nan 0.000 0.458 255 Y N 1.433 121.510 120.300 -0.372 0.000 2.163 255 Y HA -0.148 4.402 4.550 0.001 0.000 0.288 255 Y C 2.395 178.021 175.900 -0.457 0.000 1.136 255 Y CA 1.634 59.497 58.100 -0.395 0.000 1.147 255 Y CB 0.083 38.306 38.460 -0.395 0.000 0.987 255 Y HN -0.147 nan 8.280 nan 0.000 0.509 256 R N 0.801 120.990 120.500 -0.518 0.000 2.091 256 R HA -0.214 4.127 4.340 0.001 0.000 0.238 256 R C 2.172 178.257 176.300 -0.360 0.000 1.136 256 R CA 2.090 57.855 56.100 -0.559 0.000 0.959 256 R CB -0.180 29.641 30.300 -0.799 0.000 0.856 256 R HN 0.365 nan 8.270 nan 0.000 0.437 257 K N 0.079 120.304 120.400 -0.291 0.000 2.032 257 K HA -0.132 4.188 4.320 0.001 0.000 0.209 257 K C 2.143 178.644 176.600 -0.165 0.000 1.048 257 K CA 1.751 57.927 56.287 -0.185 0.000 0.927 257 K CB -0.150 32.263 32.500 -0.146 0.000 0.712 257 K HN 0.229 nan 8.250 nan 0.000 0.441 258 I N 0.806 121.235 120.570 -0.236 0.000 2.163 258 I HA -0.242 3.928 4.170 0.001 0.000 0.240 258 I C 2.301 178.340 176.117 -0.130 0.000 1.081 258 I CA 1.154 62.337 61.300 -0.195 0.000 1.353 258 I CB -0.361 37.453 38.000 -0.311 0.000 1.054 258 I HN 0.047 nan 8.210 nan 0.000 0.407 259 V N -1.634 118.080 119.914 -0.334 0.000 2.970 259 V HA -0.188 3.933 4.120 0.001 0.000 0.260 259 V C 2.155 178.331 176.094 0.137 0.000 1.100 259 V CA 1.596 63.780 62.300 -0.193 0.000 1.122 259 V CB -0.803 30.757 31.823 -0.439 0.000 0.721 259 V HN 0.494 nan 8.190 nan 0.000 0.483 260 E N 1.698 121.933 120.200 0.059 0.000 2.097 260 E HA -0.186 4.164 4.350 0.001 0.000 0.196 260 E C 2.144 178.860 176.600 0.194 0.000 1.000 260 E CA 1.769 58.261 56.400 0.154 0.000 0.804 260 E CB -0.642 29.060 29.700 0.003 0.000 0.740 260 E HN 0.689 nan 8.360 nan 0.000 0.454 261 G N -0.673 108.176 108.800 0.081 0.000 2.484 261 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 261 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 261 G C 0.166 174.931 174.900 -0.224 0.000 1.130 261 G CA 0.106 45.162 45.100 -0.073 0.000 0.784 261 G HN 0.206 nan 8.290 nan 0.000 0.543 262 Y N 2.662 122.851 120.300 -0.184 0.000 2.736 262 Y HA 0.296 4.846 4.550 0.001 0.000 0.339 262 Y C 1.276 176.831 175.900 -0.576 0.000 1.301 262 Y CA -0.940 57.001 58.100 -0.265 0.000 1.676 262 Y CB -0.718 37.639 38.460 -0.172 0.000 1.725 262 Y HN 0.005 nan 8.280 nan 0.000 0.466 263 T N -1.124 113.077 114.554 -0.587 0.000 2.926 263 T HA 0.064 4.415 4.350 0.001 0.000 0.307 263 T C -1.634 172.893 174.700 -0.287 0.000 1.059 263 T CA -1.621 60.075 62.100 -0.675 0.000 1.122 263 T CB 1.353 70.014 68.868 -0.346 0.000 0.972 263 T HN 0.179 nan 8.240 nan 0.000 0.545 264 P HA -0.133 nan 4.420 nan 0.000 0.216 264 P C 1.375 178.631 177.300 -0.073 0.000 1.154 264 P CA 1.168 64.232 63.100 -0.060 0.000 0.865 264 P CB 0.067 31.768 31.700 0.003 0.000 0.789 265 E N -0.538 119.615 120.200 -0.079 0.000 2.077 265 E HA -0.154 4.197 4.350 0.001 0.000 0.193 265 E C 2.068 178.610 176.600 -0.097 0.000 0.989 265 E CA 1.768 58.124 56.400 -0.073 0.000 0.800 265 E CB -0.905 28.759 29.700 -0.060 0.000 0.746 265 E HN 0.287 nan 8.360 nan 0.000 0.452 266 S N -0.775 114.845 115.700 -0.134 0.000 2.547 266 S HA -0.050 4.421 4.470 0.001 0.000 0.235 266 S C 1.488 175.996 174.600 -0.153 0.000 0.980 266 S CA 0.643 58.750 58.200 -0.155 0.000 0.941 266 S CB 0.266 63.332 63.200 -0.223 0.000 0.763 266 S HN 0.074 nan 8.310 nan 0.000 0.532 267 V N 0.438 120.271 119.914 -0.135 0.000 3.330 267 V HA 0.280 4.400 4.120 0.001 0.000 0.309 267 V C 1.695 177.702 176.094 -0.145 0.000 1.481 267 V CA -0.167 62.041 62.300 -0.153 0.000 1.068 267 V CB 0.340 32.099 31.823 -0.105 0.000 0.935 267 V HN 0.391 nan 8.190 nan 0.000 0.453 268 E N 0.279 120.414 120.200 -0.108 0.000 2.072 268 E HA -0.198 4.152 4.350 0.001 0.000 0.191 268 E C 1.384 177.930 176.600 -0.090 0.000 0.985 268 E CA 1.529 57.878 56.400 -0.085 0.000 0.801 268 E CB 0.149 29.812 29.700 -0.062 0.000 0.750 268 E HN 0.546 nan 8.360 nan 0.000 0.452 269 D N 0.284 120.629 120.400 -0.093 0.000 2.183 269 D HA -0.063 4.578 4.640 0.001 0.000 0.203 269 D C 1.945 178.180 176.300 -0.109 0.000 0.969 269 D CA 0.646 54.599 54.000 -0.078 0.000 0.842 269 D CB -0.007 40.760 40.800 -0.056 0.000 0.957 269 D HN 0.185 nan 8.370 nan 0.000 0.484 270 I N 0.921 121.375 120.570 -0.192 0.000 2.252 270 I HA -0.205 3.965 4.170 0.001 0.000 0.245 270 I C 2.426 178.362 176.117 -0.301 0.000 1.102 270 I CA 1.482 62.579 61.300 -0.337 0.000 1.385 270 I CB -0.263 37.323 38.000 -0.691 0.000 1.064 270 I HN 0.061 nan 8.210 nan 0.000 0.414 271 T N -2.126 112.279 114.554 -0.248 0.000 3.043 271 T HA 0.148 4.499 4.350 0.001 0.000 0.263 271 T C 1.704 176.343 174.700 -0.101 0.000 1.094 271 T CA 0.530 62.529 62.100 -0.169 0.000 1.127 271 T CB 0.025 68.809 68.868 -0.140 0.000 0.905 271 T HN 0.508 nan 8.240 nan 0.000 0.490 272 G N 0.809 109.556 108.800 -0.089 0.000 2.187 272 G HA2 -0.216 3.745 3.960 0.001 0.000 0.261 272 G HA3 -0.216 3.745 3.960 0.001 0.000 0.261 272 G C 0.045 174.907 174.900 -0.064 0.000 1.000 272 G CA 0.293 45.356 45.100 -0.062 0.000 0.718 272 G HN 0.764 nan 8.290 nan 0.000 0.519 273 V N 1.085 120.959 119.914 -0.068 0.000 2.513 273 V HA 0.679 4.799 4.120 0.001 0.000 0.299 273 V C 0.958 177.025 176.094 -0.044 0.000 1.035 273 V CA -0.241 62.025 62.300 -0.058 0.000 0.889 273 V CB 1.795 33.587 31.823 -0.051 0.000 0.988 273 V HN 0.900 nan 8.190 nan 0.000 0.440 274 S N 3.799 119.479 115.700 -0.034 0.000 2.576 274 S HA 0.382 4.852 4.470 0.001 0.000 0.276 274 S C 1.362 175.954 174.600 -0.012 0.000 1.339 274 S CA 0.132 58.318 58.200 -0.023 0.000 1.039 274 S CB 1.463 64.653 63.200 -0.017 0.000 0.902 274 S HN 1.161 nan 8.310 nan 0.000 0.516 275 A N 2.739 125.552 122.820 -0.012 0.000 1.940 275 A HA -0.080 4.241 4.320 0.001 0.000 0.219 275 A C 2.511 180.106 177.584 0.019 0.000 1.176 275 A CA 2.089 54.126 52.037 -0.000 0.000 0.631 275 A CB -1.610 17.386 19.000 -0.006 0.000 0.814 275 A HN 1.170 nan 8.150 nan 0.000 0.446 276 S N -0.371 115.339 115.700 0.016 0.000 2.359 276 S HA -0.248 4.222 4.470 0.001 0.000 0.224 276 S C 1.876 176.496 174.600 0.033 0.000 1.035 276 S CA 1.837 60.052 58.200 0.025 0.000 1.018 276 S CB -0.443 62.768 63.200 0.018 0.000 0.876 276 S HN 0.665 nan 8.310 nan 0.000 0.448 277 E N 0.348 120.562 120.200 0.024 0.000 2.077 277 E HA -0.097 4.253 4.350 0.001 0.000 0.193 277 E C 2.103 178.736 176.600 0.054 0.000 0.989 277 E CA 1.529 57.947 56.400 0.031 0.000 0.800 277 E CB -0.290 29.415 29.700 0.007 0.000 0.746 277 E HN 0.613 nan 8.360 nan 0.000 0.452 278 I N 0.767 121.367 120.570 0.050 0.000 2.226 278 I HA -0.292 3.878 4.170 0.001 0.000 0.245 278 I C 2.535 178.711 176.117 0.099 0.000 1.100 278 I CA 1.153 62.497 61.300 0.074 0.000 1.374 278 I CB -0.280 37.751 38.000 0.052 0.000 1.057 278 I HN 0.052 nan 8.210 nan 0.000 0.413 279 R N 0.282 120.833 120.500 0.086 0.000 2.081 279 R HA -0.224 4.116 4.340 0.001 0.000 0.235 279 R C 2.318 178.679 176.300 0.102 0.000 1.131 279 R CA 1.550 57.708 56.100 0.096 0.000 0.960 279 R CB -0.431 29.916 30.300 0.078 0.000 0.856 279 R HN 0.484 nan 8.270 nan 0.000 0.436 280 Q N 0.371 120.226 119.800 0.091 0.000 2.079 280 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 280 Q C 1.978 178.056 176.000 0.129 0.000 0.974 280 Q CA 1.579 57.439 55.803 0.094 0.000 0.840 280 Q CB -0.013 28.770 28.738 0.074 0.000 0.898 280 Q HN 0.355 nan 8.270 nan 0.000 0.430 281 A N 0.604 123.515 122.820 0.151 0.000 1.898 281 A HA -0.030 4.291 4.320 0.001 0.000 0.216 281 A C 2.244 179.991 177.584 0.272 0.000 1.181 281 A CA 1.446 53.615 52.037 0.221 0.000 0.620 281 A CB -0.812 18.326 19.000 0.231 0.000 0.819 281 A HN 0.534 nan 8.150 nan 0.000 0.442 282 A N -0.108 122.844 122.820 0.219 0.000 1.898 282 A HA -0.132 4.188 4.320 0.001 0.000 0.216 282 A C 2.229 179.937 177.584 0.207 0.000 1.181 282 A CA 1.518 53.685 52.037 0.216 0.000 0.620 282 A CB -0.430 18.674 19.000 0.173 0.000 0.819 282 A HN 0.531 nan 8.150 nan 0.000 0.442 283 R N -1.340 119.256 120.500 0.160 0.000 2.073 283 R HA -0.097 4.244 4.340 0.001 0.000 0.234 283 R C 2.362 178.735 176.300 0.122 0.000 1.134 283 R CA 1.779 57.953 56.100 0.123 0.000 0.952 283 R CB -0.393 29.965 30.300 0.096 0.000 0.850 283 R HN 0.644 nan 8.270 nan 0.000 0.433 284 M N -0.428 119.264 119.600 0.153 0.000 2.086 284 M HA -0.241 4.240 4.480 0.001 0.000 0.261 284 M C 2.076 178.478 176.300 0.170 0.000 1.067 284 M CA 1.719 57.109 55.300 0.151 0.000 1.116 284 M CB -0.222 32.484 32.600 0.176 0.000 1.348 284 M HN 0.163 nan 8.290 nan 0.000 0.407 285 Y N 0.618 120.994 120.300 0.127 0.000 2.114 285 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 285 Y C 2.228 178.148 175.900 0.033 0.000 1.143 285 Y CA 2.100 60.253 58.100 0.088 0.000 1.135 285 Y CB -0.764 37.702 38.460 0.009 0.000 0.980 285 Y HN 0.302 nan 8.280 nan 0.000 0.499 286 A N -0.097 122.714 122.820 -0.014 0.000 1.972 286 A HA -0.220 4.101 4.320 0.001 0.000 0.219 286 A C 2.044 179.563 177.584 -0.108 0.000 1.169 286 A CA 1.915 53.899 52.037 -0.089 0.000 0.635 286 A CB -0.618 18.425 19.000 0.072 0.000 0.810 286 A HN 0.707 nan 8.150 nan 0.000 0.446 287 Q N -0.590 119.180 119.800 -0.051 0.000 2.398 287 Q HA 0.313 4.654 4.340 0.001 0.000 0.204 287 Q C 0.856 176.821 176.000 -0.059 0.000 0.932 287 Q CA 0.173 55.952 55.803 -0.039 0.000 0.916 287 Q CB -0.111 28.629 28.738 0.002 0.000 1.024 287 Q HN 0.621 nan 8.270 nan 0.000 0.504 288 A N 1.375 124.143 122.820 -0.086 0.000 2.511 288 A HA -0.027 4.293 4.320 0.001 0.000 0.242 288 A C 0.955 178.479 177.584 -0.101 0.000 1.069 288 A CA 0.052 52.045 52.037 -0.074 0.000 0.763 288 A CB 0.396 19.357 19.000 -0.065 0.000 1.001 288 A HN 0.202 nan 8.150 nan 0.000 0.498 289 K N 1.126 121.488 120.400 -0.063 0.000 2.057 289 K HA -0.053 4.267 4.320 0.001 0.000 0.207 289 K C -0.025 176.529 176.600 -0.077 0.000 1.049 289 K CA 1.621 57.871 56.287 -0.062 0.000 0.931 289 K CB -0.039 32.439 32.500 -0.037 0.000 0.714 289 K HN 0.612 nan 8.250 nan 0.000 0.440 290 S N -0.743 114.920 115.700 -0.062 0.000 2.614 290 S HA 0.612 5.082 4.470 0.001 0.000 0.288 290 S C -1.566 173.009 174.600 -0.042 0.000 1.137 290 S CA -0.870 57.295 58.200 -0.059 0.000 0.992 290 S CB 2.006 65.202 63.200 -0.007 0.000 1.026 290 S HN 0.362 nan 8.310 nan 0.000 0.486 291 A N 2.136 124.915 122.820 -0.068 0.000 2.356 291 A HA 0.886 5.207 4.320 0.001 0.000 0.310 291 A C -0.556 177.100 177.584 0.119 0.000 1.075 291 A CA -0.735 51.309 52.037 0.012 0.000 0.746 291 A CB 1.226 20.132 19.000 -0.158 0.000 1.221 291 A HN 1.000 nan 8.150 nan 0.000 0.443 292 A N 2.743 125.680 122.820 0.195 0.000 2.288 292 A HA 0.696 5.016 4.320 0.001 0.000 0.320 292 A C -0.391 177.384 177.584 0.318 0.000 1.217 292 A CA -0.383 51.778 52.037 0.206 0.000 0.840 292 A CB 0.136 19.224 19.000 0.146 0.000 1.179 292 A HN 0.749 nan 8.150 nan 0.000 0.504 293 I N 3.142 123.909 120.570 0.328 0.000 2.371 293 I HA 0.249 4.420 4.170 0.001 0.000 0.290 293 I C -0.519 175.795 176.117 0.327 0.000 1.028 293 I CA 0.000 61.552 61.300 0.419 0.000 1.345 293 I CB 0.959 39.196 38.000 0.395 0.000 1.407 293 I HN 0.476 nan 8.210 nan 0.000 0.501 294 L N 6.649 128.087 121.223 0.358 0.000 2.341 294 L HA 0.559 4.900 4.340 0.001 0.000 0.278 294 L C -0.929 176.131 176.870 0.316 0.000 1.005 294 L CA -0.622 54.314 54.840 0.160 0.000 0.818 294 L CB 1.385 43.567 42.059 0.205 0.000 1.259 294 L HN 0.691 nan 8.230 nan 0.000 0.418 295 W N 2.228 123.489 121.300 -0.066 0.000 3.047 295 W HA 0.866 5.527 4.660 0.001 0.000 0.341 295 W C -0.705 175.693 176.519 -0.201 0.000 1.225 295 W CA -1.180 56.193 57.345 0.047 0.000 1.150 295 W CB 1.109 30.695 29.460 0.209 0.000 1.470 295 W HN 0.496 nan 8.180 nan 0.000 0.578 296 G N 0.867 109.889 108.800 0.371 0.000 2.453 296 G HA2 0.419 4.379 3.960 0.001 0.000 0.323 296 G HA3 0.419 4.379 3.960 0.001 0.000 0.323 296 G C -0.202 174.882 174.900 0.306 0.000 1.198 296 G CA -0.939 44.304 45.100 0.237 0.000 0.959 296 G HN 0.839 nan 8.290 nan 0.000 0.482 297 M N 1.444 121.167 119.600 0.205 0.000 2.337 297 M HA 0.113 4.593 4.480 0.001 0.000 0.261 297 M C 1.771 178.154 176.300 0.139 0.000 1.067 297 M CA 2.369 57.777 55.300 0.179 0.000 1.074 297 M CB -0.477 32.225 32.600 0.170 0.000 1.395 297 M HN 1.413 nan 8.290 nan 0.000 0.431 298 G N -0.961 107.924 108.800 0.142 0.000 2.559 298 G HA2 -0.359 3.602 3.960 0.001 0.000 0.282 298 G HA3 -0.359 3.602 3.960 0.001 0.000 0.282 298 G C 0.605 175.288 174.900 -0.360 0.000 1.177 298 G CA 0.276 45.467 45.100 0.151 0.000 0.960 298 G HN 0.306 nan 8.290 nan 0.000 0.540 299 V N 2.727 122.380 119.914 -0.435 0.000 2.568 299 V HA -0.144 3.976 4.120 0.001 0.000 0.253 299 V C 3.274 178.919 176.094 -0.749 0.000 1.072 299 V CA 3.731 65.383 62.300 -1.080 0.000 1.084 299 V CB -0.909 30.817 31.823 -0.162 0.000 0.676 299 V HN 1.346 nan 8.190 nan 0.000 0.469 300 T N -2.714 111.666 114.554 -0.291 0.000 3.085 300 T HA -0.137 4.213 4.350 0.001 0.000 0.263 300 T C 1.510 176.141 174.700 -0.115 0.000 1.127 300 T CA 1.069 63.103 62.100 -0.110 0.000 1.103 300 T CB -0.126 68.758 68.868 0.027 0.000 0.921 300 T HN 0.581 nan 8.240 nan 0.000 0.510 301 Q N -0.310 119.368 119.800 -0.202 0.000 2.384 301 Q HA 0.318 4.659 4.340 0.001 0.000 0.207 301 Q C 1.133 177.187 176.000 0.089 0.000 0.904 301 Q CA 0.203 55.943 55.803 -0.104 0.000 0.933 301 Q CB -0.114 28.623 28.738 -0.001 0.000 1.077 301 Q HN 0.703 nan 8.270 nan 0.000 0.522 302 F N -0.123 119.927 119.950 0.166 0.000 2.722 302 F HA -0.068 4.459 4.527 0.001 0.000 0.298 302 F C 0.665 176.558 175.800 0.155 0.000 1.175 302 F CA -0.621 57.485 58.000 0.177 0.000 1.462 302 F CB -0.637 38.474 39.000 0.184 0.000 1.111 302 F HN 0.030 nan 8.300 nan 0.000 0.592 303 Y N 2.405 122.776 120.300 0.118 0.000 3.433 303 Y HA -0.425 4.125 4.550 0.001 0.000 0.368 303 Y C 1.329 177.264 175.900 0.058 0.000 1.164 303 Y CA 1.044 59.170 58.100 0.044 0.000 1.415 303 Y CB 0.170 38.617 38.460 -0.023 0.000 1.082 303 Y HN 0.366 nan 8.280 nan 0.000 0.617 304 Q N -0.099 118.874 119.800 -1.378 0.000 2.468 304 Q HA -0.277 4.064 4.340 0.001 0.000 0.256 304 Q C 1.176 176.983 176.000 -0.322 0.000 0.984 304 Q CA 0.818 56.106 55.803 -0.857 0.000 1.110 304 Q CB -1.838 26.667 28.738 -0.389 0.000 1.527 304 Q HN 0.970 nan 8.270 nan 0.000 0.535 305 G N 0.026 108.759 108.800 -0.113 0.000 2.396 305 G HA2 -0.050 3.911 3.960 0.001 0.000 0.214 305 G HA3 -0.050 3.911 3.960 0.001 0.000 0.214 305 G C 1.266 176.161 174.900 -0.008 0.000 1.166 305 G CA 0.934 46.049 45.100 0.024 0.000 0.793 305 G HN 0.406 nan 8.290 nan 0.000 0.533 306 V N -0.995 118.966 119.914 0.079 0.000 2.591 306 V HA 0.065 4.185 4.120 0.001 0.000 0.249 306 V C 2.282 178.331 176.094 -0.074 0.000 1.053 306 V CA 2.012 64.324 62.300 0.020 0.000 1.068 306 V CB -0.465 31.406 31.823 0.081 0.000 0.689 306 V HN 0.254 nan 8.190 nan 0.000 0.462 307 E N 1.280 121.451 120.200 -0.048 0.000 2.106 307 E HA -0.097 4.254 4.350 0.001 0.000 0.192 307 E C 2.281 178.898 176.600 0.029 0.000 0.984 307 E CA 1.954 58.380 56.400 0.044 0.000 0.806 307 E CB -0.752 29.035 29.700 0.146 0.000 0.750 307 E HN 0.667 nan 8.360 nan 0.000 0.458 308 T N 0.111 114.629 114.554 -0.060 0.000 2.821 308 T HA -0.099 4.251 4.350 0.001 0.000 0.267 308 T C 1.986 176.506 174.700 -0.299 0.000 1.046 308 T CA 0.974 63.005 62.100 -0.114 0.000 1.139 308 T CB -0.230 68.629 68.868 -0.016 0.000 0.871 308 T HN -0.027 nan 8.240 nan 0.000 0.454 309 V N 1.629 121.335 119.914 -0.347 0.000 2.287 309 V HA -0.196 3.925 4.120 0.001 0.000 0.248 309 V C 2.641 178.493 176.094 -0.403 0.000 1.053 309 V CA 1.679 63.639 62.300 -0.567 0.000 1.027 309 V CB -0.505 31.138 31.823 -0.299 0.000 0.646 309 V HN 0.403 nan 8.190 nan 0.000 0.447 310 R N -0.634 119.746 120.500 -0.200 0.000 2.090 310 R HA -0.092 4.248 4.340 0.001 0.000 0.228 310 R C 2.641 178.938 176.300 -0.005 0.000 1.110 310 R CA 1.434 57.479 56.100 -0.092 0.000 0.973 310 R CB -0.518 29.729 30.300 -0.089 0.000 0.869 310 R HN 0.447 nan 8.270 nan 0.000 0.440 311 S N 1.072 116.784 115.700 0.021 0.000 2.368 311 S HA -0.041 4.430 4.470 0.001 0.000 0.225 311 S C 1.951 176.472 174.600 -0.131 0.000 1.030 311 S CA 0.792 59.002 58.200 0.016 0.000 0.999 311 S CB -0.076 63.112 63.200 -0.020 0.000 0.844 311 S HN 0.211 nan 8.310 nan 0.000 0.459 312 L N 0.680 121.711 121.223 -0.319 0.000 2.042 312 L HA -0.126 4.215 4.340 0.001 0.000 0.210 312 L C 2.605 179.299 176.870 -0.294 0.000 1.076 312 L CA 1.640 56.221 54.840 -0.432 0.000 0.749 312 L CB -0.800 40.838 42.059 -0.702 0.000 0.893 312 L HN 0.358 nan 8.230 nan 0.000 0.432 313 T N -1.398 113.010 114.554 -0.244 0.000 2.821 313 T HA -0.142 4.208 4.350 0.001 0.000 0.267 313 T C 2.058 176.641 174.700 -0.195 0.000 1.046 313 T CA 1.415 63.438 62.100 -0.129 0.000 1.139 313 T CB -0.045 68.771 68.868 -0.088 0.000 0.871 313 T HN 0.281 nan 8.240 nan 0.000 0.454 314 S N 1.440 117.005 115.700 -0.226 0.000 2.383 314 S HA -0.000 4.470 4.470 0.001 0.000 0.229 314 S C 2.000 176.459 174.600 -0.235 0.000 1.030 314 S CA 0.836 58.828 58.200 -0.347 0.000 1.002 314 S CB -0.482 62.574 63.200 -0.241 0.000 0.829 314 S HN 0.388 nan 8.310 nan 0.000 0.467 315 L N 0.936 122.078 121.223 -0.135 0.000 2.042 315 L HA -0.172 4.168 4.340 0.001 0.000 0.210 315 L C 2.789 179.706 176.870 0.079 0.000 1.076 315 L CA 1.337 56.148 54.840 -0.049 0.000 0.749 315 L CB -0.727 41.175 42.059 -0.262 0.000 0.893 315 L HN 0.347 nan 8.230 nan 0.000 0.432 316 A N -0.379 122.455 122.820 0.024 0.000 1.930 316 A HA -0.182 4.138 4.320 0.001 0.000 0.217 316 A C 2.286 179.837 177.584 -0.056 0.000 1.175 316 A CA 1.425 53.512 52.037 0.083 0.000 0.627 316 A CB -0.376 18.683 19.000 0.099 0.000 0.815 316 A HN 0.332 nan 8.150 nan 0.000 0.443 317 M N -1.335 118.183 119.600 -0.138 0.000 2.132 317 M HA -0.095 4.385 4.480 0.001 0.000 0.263 317 M C 2.110 178.426 176.300 0.026 0.000 1.065 317 M CA 1.148 56.359 55.300 -0.147 0.000 1.122 317 M CB -0.427 31.798 32.600 -0.624 0.000 1.365 317 M HN 0.389 nan 8.290 nan 0.000 0.411 318 L N 0.601 121.878 121.223 0.090 0.000 2.043 318 L HA -0.181 4.159 4.340 0.001 0.000 0.212 318 L C 2.500 179.496 176.870 0.211 0.000 1.075 318 L CA 2.213 57.237 54.840 0.306 0.000 0.752 318 L CB -0.823 41.394 42.059 0.263 0.000 0.891 318 L HN 0.462 nan 8.230 nan 0.000 0.432 319 T N -4.220 110.367 114.554 0.055 0.000 3.122 319 T HA 0.348 4.698 4.350 0.001 0.000 0.250 319 T C 1.248 175.793 174.700 -0.258 0.000 1.067 319 T CA 0.190 62.251 62.100 -0.064 0.000 0.966 319 T CB -0.282 68.502 68.868 -0.140 0.000 1.002 319 T HN 0.501 nan 8.240 nan 0.000 0.542 320 G N 2.382 110.877 108.800 -0.509 0.000 2.283 320 G HA2 -0.257 3.703 3.960 0.001 0.000 0.280 320 G HA3 -0.257 3.703 3.960 0.001 0.000 0.280 320 G C 0.214 174.687 174.900 -0.712 0.000 1.029 320 G CA -0.039 44.346 45.100 -1.191 0.000 0.840 320 G HN 0.552 nan 8.290 nan 0.000 0.505 321 N N 0.003 118.460 118.700 -0.405 0.000 2.994 321 N HA 0.418 5.159 4.740 0.001 0.000 0.306 321 N C 0.037 175.507 175.510 -0.067 0.000 1.348 321 N CA 0.430 53.364 53.050 -0.194 0.000 1.109 321 N CB 0.190 38.609 38.487 -0.114 0.000 1.415 321 N HN 0.512 nan 8.380 nan 0.000 0.529 322 L N -1.801 119.384 121.223 -0.062 0.000 2.506 322 L HA 0.434 4.774 4.340 0.001 0.000 0.257 322 L C 0.869 177.875 176.870 0.227 0.000 0.964 322 L CA -0.859 54.105 54.840 0.207 0.000 0.836 322 L CB 2.231 44.569 42.059 0.465 0.000 1.384 322 L HN 0.206 nan 8.230 nan 0.000 0.410 323 G N 1.304 110.258 108.800 0.256 0.000 2.143 323 G HA2 -0.240 3.721 3.960 0.001 0.000 0.248 323 G HA3 -0.240 3.721 3.960 0.001 0.000 0.248 323 G C -0.182 174.750 174.900 0.053 0.000 0.991 323 G CA 0.767 46.001 45.100 0.223 0.000 0.689 323 G HN 0.719 nan 8.290 nan 0.000 0.522 324 K N -0.908 119.306 120.400 -0.309 0.000 2.509 324 K HA 0.769 5.089 4.320 0.001 0.000 0.266 324 K C -3.288 172.663 176.600 -1.081 0.000 0.987 324 K CA -2.209 53.686 56.287 -0.653 0.000 0.868 324 K CB 2.946 35.293 32.500 -0.255 0.000 1.421 324 K HN -0.001 nan 8.250 nan 0.000 0.444 325 P HA 0.075 nan 4.420 nan 0.000 0.274 325 P C -0.798 176.181 177.300 -0.534 0.000 1.237 325 P CA 0.285 62.839 63.100 -0.909 0.000 0.793 325 P CB -0.042 31.208 31.700 -0.750 0.000 0.977 326 H N -2.175 116.807 119.070 -0.147 0.000 2.820 326 H HA -0.158 4.398 4.556 0.001 0.000 0.295 326 H C 0.406 175.695 175.328 -0.064 0.000 1.187 326 H CA 1.073 57.078 56.048 -0.071 0.000 1.144 326 H CB -2.193 27.541 29.762 -0.048 0.000 1.354 326 H HN 0.695 nan 8.280 nan 0.000 0.395 327 A N -0.791 122.002 122.820 -0.044 0.000 3.434 327 A HA 0.918 5.238 4.320 0.001 0.000 0.247 327 A C 0.932 178.525 177.584 0.016 0.000 1.075 327 A CA 0.348 52.376 52.037 -0.016 0.000 0.737 327 A CB 1.100 20.054 19.000 -0.077 0.000 1.412 327 A HN 1.380 nan 8.150 nan 0.000 0.691 328 G N -2.661 106.170 108.800 0.052 0.000 2.525 328 G HA2 0.456 4.416 3.960 0.001 0.000 0.685 328 G HA3 0.456 4.416 3.960 0.001 0.000 0.685 328 G C -0.550 174.442 174.900 0.152 0.000 1.290 328 G CA 0.137 45.297 45.100 0.100 0.000 0.915 328 G HN 2.167 nan 8.290 nan 0.000 0.548 329 V N -2.356 117.659 119.914 0.169 0.000 2.409 329 V HA 0.845 4.966 4.120 0.001 0.000 0.291 329 V C -0.296 175.746 176.094 -0.087 0.000 1.020 329 V CA -1.073 61.352 62.300 0.208 0.000 0.848 329 V CB 1.811 33.867 31.823 0.389 0.000 0.990 329 V HN 0.806 nan 8.190 nan 0.000 0.430 330 N N 5.352 123.824 118.700 -0.379 0.000 2.727 330 N HA 0.304 5.045 4.740 0.001 0.000 0.252 330 N C -3.115 171.829 175.510 -0.943 0.000 1.283 330 N CA -0.818 51.940 53.050 -0.488 0.000 0.782 330 N CB 2.426 40.770 38.487 -0.238 0.000 1.199 330 N HN 0.529 nan 8.380 nan 0.000 0.520 331 P HA 0.053 nan 4.420 nan 0.000 0.269 331 P C 0.057 176.956 177.300 -0.669 0.000 1.263 331 P CA -0.074 62.248 63.100 -1.298 0.000 0.813 331 P CB 0.624 31.781 31.700 -0.906 0.000 0.868 332 V N 6.012 125.508 119.914 -0.698 0.000 2.372 332 V HA 0.193 4.314 4.120 0.001 0.000 0.261 332 V C 1.271 177.158 176.094 -0.346 0.000 1.055 332 V CA -0.203 61.764 62.300 -0.555 0.000 0.930 332 V CB -0.356 31.019 31.823 -0.746 0.000 1.031 332 V HN 0.432 nan 8.190 nan 0.000 0.479 333 R N 2.595 123.015 120.500 -0.134 0.000 2.549 333 R HA 0.510 4.850 4.340 0.001 0.000 0.259 333 R C 1.496 177.953 176.300 0.261 0.000 1.095 333 R CA 0.075 56.210 56.100 0.059 0.000 1.148 333 R CB 0.839 31.173 30.300 0.057 0.000 1.181 333 R HN 0.711 nan 8.270 nan 0.000 0.571 334 G N 0.063 109.026 108.800 0.272 0.000 2.439 334 G HA2 -0.107 3.853 3.960 0.001 0.000 0.212 334 G HA3 -0.107 3.853 3.960 0.001 0.000 0.212 334 G C 0.083 175.153 174.900 0.283 0.000 1.199 334 G CA 0.121 45.412 45.100 0.318 0.000 0.807 334 G HN 0.434 nan 8.290 nan 0.000 0.537 335 Q N 0.393 120.321 119.800 0.214 0.000 2.373 335 Q HA 0.159 4.500 4.340 0.001 0.000 0.255 335 Q C 1.456 177.474 176.000 0.031 0.000 0.980 335 Q CA 0.236 56.136 55.803 0.162 0.000 0.882 335 Q CB 0.984 29.796 28.738 0.123 0.000 1.249 335 Q HN 0.630 nan 8.270 nan 0.000 0.438 336 N N 1.135 119.753 118.700 -0.138 0.000 2.184 336 N HA -0.283 4.457 4.740 0.001 0.000 0.190 336 N C 0.606 175.932 175.510 -0.308 0.000 1.011 336 N CA 1.762 54.630 53.050 -0.302 0.000 0.867 336 N CB 0.020 38.119 38.487 -0.647 0.000 0.993 336 N HN 0.389 nan 8.380 nan 0.000 0.433 337 N N -1.165 117.385 118.700 -0.250 0.000 2.517 337 N HA 0.097 4.837 4.740 0.001 0.000 0.285 337 N C 0.351 175.890 175.510 0.049 0.000 1.528 337 N CA -0.233 52.767 53.050 -0.083 0.000 0.892 337 N CB 0.721 39.151 38.487 -0.096 0.000 1.356 337 N HN 0.176 nan 8.380 nan 0.000 0.495 338 V N 0.150 120.103 119.914 0.065 0.000 2.427 338 V HA -0.167 3.953 4.120 0.001 0.000 0.248 338 V C 2.086 178.264 176.094 0.141 0.000 1.051 338 V CA 2.076 64.438 62.300 0.105 0.000 1.048 338 V CB -0.030 31.861 31.823 0.113 0.000 0.666 338 V HN 0.408 nan 8.190 nan 0.000 0.456 339 Q N 0.694 120.586 119.800 0.154 0.000 2.079 339 Q HA -0.002 4.338 4.340 0.001 0.000 0.200 339 Q C 2.089 178.254 176.000 0.274 0.000 0.974 339 Q CA 2.438 58.371 55.803 0.216 0.000 0.840 339 Q CB -1.088 27.765 28.738 0.191 0.000 0.898 339 Q HN 0.613 nan 8.270 nan 0.000 0.430 340 G N -0.053 108.900 108.800 0.255 0.000 2.402 340 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 340 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 340 G C 1.516 176.558 174.900 0.236 0.000 1.162 340 G CA 0.973 46.251 45.100 0.297 0.000 0.777 340 G HN 0.535 nan 8.290 nan 0.000 0.539 341 A N 0.137 123.072 122.820 0.192 0.000 1.927 341 A HA -0.189 4.131 4.320 0.001 0.000 0.220 341 A C 2.596 180.240 177.584 0.101 0.000 1.185 341 A CA 2.061 54.184 52.037 0.143 0.000 0.639 341 A CB -1.097 17.974 19.000 0.118 0.000 0.820 341 A HN 0.449 nan 8.150 nan 0.000 0.451 342 C N -0.675 118.696 119.300 0.119 0.000 2.466 342 C HA -0.048 4.413 4.460 0.001 0.000 0.278 342 C C 2.313 177.278 174.990 -0.041 0.000 1.288 342 C CA 0.785 59.847 59.018 0.073 0.000 1.722 342 C CB -1.223 26.638 27.740 0.201 0.000 2.017 342 C HN 0.622 nan 8.230 nan 0.000 0.488 343 D N 1.000 121.466 120.400 0.109 0.000 2.158 343 D HA -0.122 4.518 4.640 0.001 0.000 0.197 343 D C 1.823 178.129 176.300 0.011 0.000 0.995 343 D CA 1.194 55.196 54.000 0.004 0.000 0.846 343 D CB -0.331 40.559 40.800 0.151 0.000 0.941 343 D HN 0.359 nan 8.370 nan 0.000 0.456 344 M N -0.833 118.814 119.600 0.079 0.000 2.561 344 M HA 0.191 4.671 4.480 0.001 0.000 0.238 344 M C 1.103 177.449 176.300 0.078 0.000 1.131 344 M CA 0.357 55.748 55.300 0.153 0.000 1.046 344 M CB -0.248 32.480 32.600 0.212 0.000 1.532 344 M HN 0.109 nan 8.290 nan 0.000 0.497 345 G N 1.016 109.764 108.800 -0.087 0.000 2.160 345 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 345 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 345 G C 0.538 175.378 174.900 -0.101 0.000 1.022 345 G CA 0.272 45.278 45.100 -0.155 0.000 0.741 345 G HN 0.695 nan 8.290 nan 0.000 0.508 346 A N -0.072 122.714 122.820 -0.057 0.000 2.810 346 A HA 0.667 4.987 4.320 0.001 0.000 0.247 346 A C 0.667 178.217 177.584 -0.058 0.000 1.576 346 A CA 0.413 52.429 52.037 -0.035 0.000 1.294 346 A CB -0.207 18.802 19.000 0.014 0.000 0.976 346 A HN 0.804 nan 8.150 nan 0.000 0.631 347 L N -0.696 120.459 121.223 -0.112 0.000 2.409 347 L HA 0.410 4.751 4.340 0.001 0.000 0.262 347 L C -1.801 175.014 176.870 -0.091 0.000 0.992 347 L CA -2.125 52.648 54.840 -0.111 0.000 0.817 347 L CB 2.797 44.697 42.059 -0.265 0.000 1.350 347 L HN 0.004 nan 8.230 nan 0.000 0.411 348 P HA -0.091 nan 4.420 nan 0.000 0.233 348 P C 0.154 177.412 177.300 -0.069 0.000 1.167 348 P CA 0.940 64.010 63.100 -0.049 0.000 0.770 348 P CB 0.125 31.825 31.700 -0.000 0.000 0.837 349 D N -2.479 117.934 120.400 0.023 0.000 2.431 349 D HA 0.100 4.740 4.640 0.001 0.000 0.213 349 D C -0.089 176.199 176.300 -0.020 0.000 1.130 349 D CA -0.152 53.886 54.000 0.064 0.000 0.834 349 D CB -0.017 40.923 40.800 0.233 0.000 0.985 349 D HN -0.057 nan 8.370 nan 0.000 0.504 350 T N -0.454 113.963 114.554 -0.227 0.000 3.041 350 T HA 0.352 4.703 4.350 0.001 0.000 0.321 350 T C -1.323 173.073 174.700 -0.507 0.000 1.184 350 T CA -0.602 61.222 62.100 -0.460 0.000 1.050 350 T CB 0.604 69.148 68.868 -0.540 0.000 1.159 350 T HN -0.132 nan 8.240 nan 0.000 0.469 351 Y N 4.015 124.056 120.300 -0.432 0.000 2.335 351 Y HA 0.300 4.850 4.550 0.001 0.000 0.348 351 Y C -1.499 174.167 175.900 -0.391 0.000 1.280 351 Y CA -1.604 56.178 58.100 -0.530 0.000 1.504 351 Y CB -0.157 37.641 38.460 -1.104 0.000 1.366 351 Y HN 0.451 nan 8.280 nan 0.000 0.621 352 P HA 0.003 nan 4.420 nan 0.000 0.269 352 P C 0.481 177.651 177.300 -0.216 0.000 1.211 352 P CA 1.093 64.180 63.100 -0.021 0.000 0.781 352 P CB 0.421 32.301 31.700 0.300 0.000 0.877 353 G N 1.261 109.765 108.800 -0.493 0.000 2.198 353 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 353 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 353 G C 0.029 174.642 174.900 -0.478 0.000 1.025 353 G CA 0.205 44.762 45.100 -0.906 0.000 0.769 353 G HN 0.463 nan 8.290 nan 0.000 0.507 354 Y N -1.920 118.206 120.300 -0.290 0.000 3.108 354 Y HA -0.226 4.325 4.550 0.001 0.000 0.208 354 Y C 1.019 176.751 175.900 -0.281 0.000 1.245 354 Y CA 1.440 59.363 58.100 -0.295 0.000 1.171 354 Y CB -1.976 36.420 38.460 -0.107 0.000 1.331 354 Y HN 0.662 nan 8.280 nan 0.000 0.534 355 Q N 0.163 119.838 119.800 -0.208 0.000 2.465 355 Q HA 0.302 4.642 4.340 0.001 0.000 0.237 355 Q C -0.547 175.386 176.000 -0.112 0.000 1.051 355 Q CA -0.739 55.043 55.803 -0.035 0.000 0.874 355 Q CB 0.598 29.389 28.738 0.090 0.000 1.207 355 Q HN 0.347 nan 8.270 nan 0.000 0.508 356 Y N 0.765 121.100 120.300 0.059 0.000 2.610 356 Y HA -0.126 4.424 4.550 0.001 0.000 0.332 356 Y C 1.704 177.543 175.900 -0.103 0.000 1.201 356 Y CA -0.019 58.065 58.100 -0.027 0.000 1.465 356 Y CB 0.631 39.098 38.460 0.011 0.000 1.283 356 Y HN 0.516 nan 8.280 nan 0.000 0.563 357 V N 1.131 120.909 119.914 -0.225 0.000 2.720 357 V HA -0.249 3.872 4.120 0.001 0.000 0.256 357 V C 1.619 177.691 176.094 -0.037 0.000 1.082 357 V CA 1.909 64.000 62.300 -0.348 0.000 1.101 357 V CB -0.686 30.782 31.823 -0.593 0.000 0.693 357 V HN 0.887 nan 8.190 nan 0.000 0.479 358 K N 0.759 121.185 120.400 0.043 0.000 2.288 358 K HA -0.061 4.259 4.320 0.001 0.000 0.201 358 K C 0.886 177.529 176.600 0.071 0.000 1.048 358 K CA 1.087 57.406 56.287 0.053 0.000 0.956 358 K CB -0.345 32.179 32.500 0.040 0.000 0.746 358 K HN 0.483 nan 8.250 nan 0.000 0.461 359 D N 2.348 122.812 120.400 0.107 0.000 2.343 359 D HA 0.063 4.704 4.640 0.001 0.000 0.255 359 D C -1.507 174.854 176.300 0.102 0.000 1.187 359 D CA -2.412 51.650 54.000 0.103 0.000 0.875 359 D CB 1.571 42.450 40.800 0.130 0.000 1.136 359 D HN -0.010 nan 8.370 nan 0.000 0.469 360 P HA -0.097 nan 4.420 nan 0.000 0.220 360 P C 0.973 178.309 177.300 0.059 0.000 1.148 360 P CA 0.757 63.896 63.100 0.066 0.000 0.803 360 P CB 0.198 31.925 31.700 0.046 0.000 0.782 361 A N 0.430 123.281 122.820 0.052 0.000 1.902 361 A HA -0.210 4.110 4.320 0.001 0.000 0.217 361 A C 2.199 179.807 177.584 0.040 0.000 1.181 361 A CA 1.758 53.814 52.037 0.032 0.000 0.623 361 A CB -1.326 17.689 19.000 0.025 0.000 0.818 361 A HN 0.120 nan 8.150 nan 0.000 0.443 362 N N -0.221 118.536 118.700 0.094 0.000 2.084 362 N HA -0.121 4.619 4.740 0.001 0.000 0.190 362 N C 1.839 177.410 175.510 0.101 0.000 1.030 362 N CA 1.347 54.484 53.050 0.145 0.000 0.849 362 N CB -0.478 38.161 38.487 0.255 0.000 1.012 362 N HN 0.493 nan 8.380 nan 0.000 0.423 363 R N 0.991 121.584 120.500 0.155 0.000 2.103 363 R HA -0.124 4.217 4.340 0.001 0.000 0.242 363 R C 2.062 178.370 176.300 0.014 0.000 1.142 363 R CA 1.305 57.473 56.100 0.113 0.000 0.960 363 R CB -0.181 30.204 30.300 0.143 0.000 0.858 363 R HN 0.429 nan 8.270 nan 0.000 0.439 364 E N 0.716 120.921 120.200 0.009 0.000 2.058 364 E HA -0.263 4.088 4.350 0.001 0.000 0.194 364 E C 1.950 178.498 176.600 -0.086 0.000 0.997 364 E CA 1.458 57.845 56.400 -0.023 0.000 0.801 364 E CB 0.066 29.756 29.700 -0.016 0.000 0.746 364 E HN 0.170 nan 8.360 nan 0.000 0.450 365 K N -0.408 119.916 120.400 -0.126 0.000 2.002 365 K HA -0.166 4.155 4.320 0.001 0.000 0.209 365 K C 2.061 178.402 176.600 -0.433 0.000 1.048 365 K CA 1.663 57.797 56.287 -0.254 0.000 0.930 365 K CB -0.263 32.063 32.500 -0.291 0.000 0.714 365 K HN 0.054 nan 8.250 nan 0.000 0.438 366 F N 0.976 120.545 119.950 -0.634 0.000 2.102 366 F HA -0.167 4.360 4.527 0.001 0.000 0.298 366 F C 2.513 177.861 175.800 -0.753 0.000 1.105 366 F CA 1.406 58.757 58.000 -1.082 0.000 1.239 366 F CB -0.742 37.247 39.000 -1.685 0.000 0.991 366 F HN 0.178 nan 8.300 nan 0.000 0.474 367 A N -0.001 122.707 122.820 -0.187 0.000 1.884 367 A HA -0.349 3.971 4.320 0.001 0.000 0.219 367 A C 2.204 179.803 177.584 0.024 0.000 1.197 367 A CA 2.451 54.500 52.037 0.019 0.000 0.637 367 A CB -0.967 18.058 19.000 0.041 0.000 0.827 367 A HN 0.400 nan 8.150 nan 0.000 0.450 368 K N -0.560 119.803 120.400 -0.062 0.000 2.002 368 K HA -0.036 4.284 4.320 0.001 0.000 0.209 368 K C 2.164 178.742 176.600 -0.038 0.000 1.048 368 K CA 1.434 57.694 56.287 -0.045 0.000 0.930 368 K CB -0.429 32.022 32.500 -0.081 0.000 0.714 368 K HN 0.341 nan 8.250 nan 0.000 0.438 369 A N 0.470 123.203 122.820 -0.145 0.000 1.908 369 A HA -0.159 4.162 4.320 0.001 0.000 0.218 369 A C 1.467 179.153 177.584 0.171 0.000 1.181 369 A CA 1.446 53.419 52.037 -0.106 0.000 0.627 369 A CB -0.843 17.944 19.000 -0.355 0.000 0.818 369 A HN 0.591 nan 8.150 nan 0.000 0.445 370 W N -0.892 120.444 121.300 0.061 0.000 3.256 370 W HA 0.384 5.045 4.660 0.001 0.000 0.269 370 W C 1.475 178.110 176.519 0.193 0.000 1.310 370 W CA 0.007 57.451 57.345 0.166 0.000 1.673 370 W CB -1.168 28.397 29.460 0.176 0.000 1.115 370 W HN 0.621 nan 8.180 nan 0.000 0.686 371 G N 1.220 110.192 108.800 0.287 0.000 2.246 371 G HA2 -0.184 3.776 3.960 0.001 0.000 0.273 371 G HA3 -0.184 3.776 3.960 0.001 0.000 0.273 371 G C -0.446 174.578 174.900 0.205 0.000 1.055 371 G CA 0.354 45.560 45.100 0.176 0.000 0.851 371 G HN 0.185 nan 8.290 nan 0.000 0.500 372 V N -1.077 118.975 119.914 0.230 0.000 2.914 372 V HA 0.681 4.802 4.120 0.001 0.000 0.314 372 V C 1.322 177.498 176.094 0.137 0.000 1.084 372 V CA 0.167 62.593 62.300 0.210 0.000 0.963 372 V CB 1.893 33.879 31.823 0.273 0.000 1.025 372 V HN 0.374 nan 8.190 nan 0.000 0.432 373 E N 2.151 122.417 120.200 0.109 0.000 2.072 373 E HA 0.024 4.374 4.350 0.001 0.000 0.190 373 E C 0.470 177.115 176.600 0.075 0.000 0.982 373 E CA 0.931 57.376 56.400 0.076 0.000 0.803 373 E CB 0.324 30.061 29.700 0.063 0.000 0.755 373 E HN 0.588 nan 8.360 nan 0.000 0.453 374 S N -0.566 115.188 115.700 0.089 0.000 2.536 374 S HA 0.503 4.974 4.470 0.001 0.000 0.271 374 S C -1.273 173.394 174.600 0.113 0.000 1.134 374 S CA -0.832 57.420 58.200 0.087 0.000 0.897 374 S CB 1.017 64.259 63.200 0.070 0.000 1.094 374 S HN 0.157 nan 8.310 nan 0.000 0.473 375 L N 4.693 125.992 121.223 0.127 0.000 2.334 375 L HA 0.618 4.959 4.340 0.001 0.000 0.276 375 L C -2.044 174.898 176.870 0.121 0.000 1.014 375 L CA -2.336 52.600 54.840 0.159 0.000 0.815 375 L CB 2.158 44.364 42.059 0.245 0.000 1.268 375 L HN 0.517 nan 8.230 nan 0.000 0.428 376 P HA 0.103 nan 4.420 nan 0.000 0.271 376 P C -0.335 176.966 177.300 0.002 0.000 1.218 376 P CA -0.267 62.862 63.100 0.049 0.000 0.780 376 P CB 1.517 33.188 31.700 -0.047 0.000 0.901 377 A N 1.966 124.834 122.820 0.080 0.000 2.197 377 A HA 0.081 4.401 4.320 0.001 0.000 0.210 377 A C 1.038 178.641 177.584 0.032 0.000 1.180 377 A CA 0.184 52.251 52.037 0.050 0.000 0.846 377 A CB -0.657 18.395 19.000 0.087 0.000 0.884 377 A HN 0.766 nan 8.150 nan 0.000 0.487 378 H N -0.206 118.836 119.070 -0.047 0.000 2.487 378 H HA 0.418 4.974 4.556 0.001 0.000 0.333 378 H C -0.912 174.369 175.328 -0.077 0.000 1.114 378 H CA -0.180 55.837 56.048 -0.052 0.000 1.310 378 H CB -0.104 29.628 29.762 -0.050 0.000 1.462 378 H HN -0.072 nan 8.280 nan 0.000 0.516 379 T N 2.579 117.093 114.554 -0.065 0.000 2.902 379 T HA 0.227 4.578 4.350 0.001 0.000 0.301 379 T C 1.170 175.765 174.700 -0.175 0.000 1.012 379 T CA 0.437 62.474 62.100 -0.106 0.000 1.151 379 T CB 0.502 69.366 68.868 -0.006 0.000 0.946 379 T HN 0.754 nan 8.240 nan 0.000 0.542 380 G N 1.262 109.935 108.800 -0.212 0.000 2.621 380 G HA2 0.418 4.378 3.960 0.001 0.000 0.271 380 G HA3 0.418 4.378 3.960 0.001 0.000 0.271 380 G C -0.840 173.998 174.900 -0.102 0.000 1.236 380 G CA -0.621 44.320 45.100 -0.264 0.000 0.958 380 G HN 0.577 nan 8.290 nan 0.000 0.512 381 Y N -0.336 119.973 120.300 0.015 0.000 2.336 381 Y HA 0.354 4.905 4.550 0.001 0.000 0.331 381 Y C 1.373 177.295 175.900 0.037 0.000 1.211 381 Y CA -0.415 57.708 58.100 0.038 0.000 1.346 381 Y CB 0.639 39.131 38.460 0.053 0.000 1.271 381 Y HN 0.284 nan 8.280 nan 0.000 0.538 382 R N 2.004 122.639 120.500 0.225 0.000 2.410 382 R HA 0.180 4.520 4.340 0.001 0.000 0.288 382 R C 1.069 177.451 176.300 0.137 0.000 1.051 382 R CA -0.590 55.595 56.100 0.143 0.000 1.021 382 R CB 0.783 31.150 30.300 0.111 0.000 1.032 382 R HN 0.693 nan 8.270 nan 0.000 0.481 383 I N 2.156 122.798 120.570 0.119 0.000 2.567 383 I HA -0.249 3.922 4.170 0.001 0.000 0.257 383 I C 1.910 178.093 176.117 0.110 0.000 1.184 383 I CA 1.673 63.044 61.300 0.119 0.000 1.451 383 I CB -0.189 37.880 38.000 0.114 0.000 1.089 383 I HN 0.740 nan 8.210 nan 0.000 0.441 384 S N -0.594 115.164 115.700 0.098 0.000 2.453 384 S HA -0.099 4.371 4.470 0.001 0.000 0.231 384 S C 1.637 176.281 174.600 0.073 0.000 1.005 384 S CA 0.910 59.162 58.200 0.087 0.000 0.949 384 S CB -0.660 62.586 63.200 0.076 0.000 0.774 384 S HN 0.655 nan 8.310 nan 0.000 0.510 385 E N 0.537 120.779 120.200 0.069 0.000 2.489 385 E HA 0.166 4.516 4.350 0.001 0.000 0.193 385 E C 1.553 178.191 176.600 0.063 0.000 1.057 385 E CA 0.004 56.436 56.400 0.053 0.000 0.866 385 E CB -0.148 29.566 29.700 0.023 0.000 0.916 385 E HN 0.376 nan 8.360 nan 0.000 0.500 386 L N 1.985 123.254 121.223 0.076 0.000 2.013 386 L HA -0.147 4.194 4.340 0.001 0.000 0.212 386 L C -0.940 175.975 176.870 0.075 0.000 1.073 386 L CA 2.203 57.089 54.840 0.077 0.000 0.753 386 L CB -0.928 41.205 42.059 0.123 0.000 0.890 386 L HN 0.023 nan 8.230 nan 0.000 0.432 387 P HA -0.196 nan 4.420 nan 0.000 0.215 387 P C 1.282 178.628 177.300 0.077 0.000 1.153 387 P CA 1.834 64.980 63.100 0.076 0.000 0.853 387 P CB -0.128 31.616 31.700 0.073 0.000 0.788 388 H N -0.295 118.791 119.070 0.026 0.000 2.326 388 H HA -0.045 4.512 4.556 0.001 0.000 0.301 388 H C 2.047 177.416 175.328 0.068 0.000 1.081 388 H CA 1.602 57.696 56.048 0.076 0.000 1.334 388 H CB -0.039 29.748 29.762 0.042 0.000 1.385 388 H HN -0.223 nan 8.280 nan 0.000 0.504 389 R N 0.455 120.949 120.500 -0.009 0.000 2.081 389 R HA -0.021 4.320 4.340 0.001 0.000 0.235 389 R C 2.468 178.699 176.300 -0.114 0.000 1.131 389 R CA 1.121 57.126 56.100 -0.158 0.000 0.960 389 R CB -1.240 28.871 30.300 -0.316 0.000 0.856 389 R HN 0.491 nan 8.270 nan 0.000 0.436 390 A N 1.103 123.884 122.820 -0.065 0.000 1.898 390 A HA 0.017 4.338 4.320 0.001 0.000 0.216 390 A C 2.380 179.906 177.584 -0.096 0.000 1.181 390 A CA 1.674 53.678 52.037 -0.056 0.000 0.620 390 A CB -0.555 18.445 19.000 0.001 0.000 0.819 390 A HN 0.326 nan 8.150 nan 0.000 0.442 391 A N -1.295 121.444 122.820 -0.135 0.000 1.898 391 A HA -0.158 4.163 4.320 0.001 0.000 0.216 391 A C 1.900 179.269 177.584 -0.358 0.000 1.181 391 A CA 1.403 53.295 52.037 -0.243 0.000 0.620 391 A CB -0.766 18.052 19.000 -0.303 0.000 0.819 391 A HN 0.657 nan 8.150 nan 0.000 0.442 392 H N -1.345 117.581 119.070 -0.240 0.000 2.539 392 H HA 0.231 4.787 4.556 0.001 0.000 0.269 392 H C 1.594 176.831 175.328 -0.150 0.000 0.980 392 H CA 0.612 56.530 56.048 -0.217 0.000 1.152 392 H CB 0.105 29.671 29.762 -0.327 0.000 1.407 392 H HN 0.649 nan 8.280 nan 0.000 0.564 393 G N 1.459 110.213 108.800 -0.077 0.000 2.159 393 G HA2 -0.326 3.635 3.960 0.001 0.000 0.256 393 G HA3 -0.326 3.635 3.960 0.001 0.000 0.256 393 G C 1.018 175.856 174.900 -0.103 0.000 0.977 393 G CA 0.668 45.705 45.100 -0.105 0.000 0.652 393 G HN 0.442 nan 8.290 nan 0.000 0.531 394 E N -0.981 119.180 120.200 -0.065 0.000 2.112 394 E HA 0.220 4.571 4.350 0.001 0.000 0.190 394 E C 0.979 177.604 176.600 0.041 0.000 0.979 394 E CA 0.979 57.374 56.400 -0.008 0.000 0.814 394 E CB 0.303 29.960 29.700 -0.071 0.000 0.762 394 E HN 0.376 nan 8.360 nan 0.000 0.460 395 V N 1.712 121.607 119.914 -0.032 0.000 2.398 395 V HA 0.186 4.306 4.120 0.001 0.000 0.286 395 V C 0.607 176.666 176.094 -0.058 0.000 1.026 395 V CA -0.510 61.802 62.300 0.021 0.000 0.868 395 V CB 1.628 33.479 31.823 0.047 0.000 0.982 395 V HN 0.150 nan 8.190 nan 0.000 0.443 396 R N 2.805 123.260 120.500 -0.075 0.000 2.250 396 R HA 0.489 4.830 4.340 0.001 0.000 0.194 396 R C 0.404 176.673 176.300 -0.051 0.000 0.927 396 R CA 0.524 56.547 56.100 -0.128 0.000 1.052 396 R CB 0.501 30.646 30.300 -0.258 0.000 1.055 396 R HN 0.644 nan 8.270 nan 0.000 0.537 397 A N 0.943 123.761 122.820 -0.004 0.000 2.393 397 A HA 0.806 5.126 4.320 0.001 0.000 0.306 397 A C -1.221 176.387 177.584 0.041 0.000 1.050 397 A CA -0.496 51.547 52.037 0.010 0.000 0.724 397 A CB 1.790 20.806 19.000 0.027 0.000 1.248 397 A HN 0.166 nan 8.150 nan 0.000 0.424 398 A N 1.286 124.116 122.820 0.017 0.000 2.318 398 A HA 0.609 4.930 4.320 0.001 0.000 0.317 398 A C -1.396 176.260 177.584 0.121 0.000 1.159 398 A CA -0.393 51.679 52.037 0.058 0.000 0.799 398 A CB 0.648 19.644 19.000 -0.007 0.000 1.194 398 A HN 1.163 nan 8.150 nan 0.000 0.479 399 Y N 4.295 124.622 120.300 0.044 0.000 2.595 399 Y HA 0.506 5.056 4.550 0.001 0.000 0.336 399 Y C -0.755 175.186 175.900 0.068 0.000 0.996 399 Y CA -1.594 56.545 58.100 0.064 0.000 1.260 399 Y CB 0.287 38.822 38.460 0.126 0.000 1.108 399 Y HN 0.514 nan 8.280 nan 0.000 0.509 400 I N 7.737 128.489 120.570 0.304 0.000 2.306 400 I HA 0.293 4.463 4.170 0.001 0.000 0.288 400 I C -0.088 176.136 176.117 0.179 0.000 1.036 400 I CA -0.323 61.084 61.300 0.179 0.000 1.221 400 I CB 0.957 39.053 38.000 0.160 0.000 1.385 400 I HN 0.501 nan 8.210 nan 0.000 0.472 401 M N 6.001 125.649 119.600 0.080 0.000 2.149 401 M HA 0.469 4.949 4.480 0.001 0.000 0.342 401 M C 0.748 177.105 176.300 0.096 0.000 1.068 401 M CA -0.008 55.336 55.300 0.073 0.000 0.991 401 M CB 1.281 33.845 32.600 -0.061 0.000 1.596 401 M HN 0.799 nan 8.290 nan 0.000 0.439 402 G N 3.521 112.399 108.800 0.131 0.000 2.323 402 G HA2 -0.222 3.739 3.960 0.001 0.000 0.292 402 G HA3 -0.222 3.739 3.960 0.001 0.000 0.292 402 G C -0.649 174.328 174.900 0.129 0.000 1.040 402 G CA 0.515 45.697 45.100 0.137 0.000 0.942 402 G HN 0.776 nan 8.290 nan 0.000 0.506 403 E N -0.808 119.473 120.200 0.136 0.000 2.367 403 E HA 0.434 4.785 4.350 0.001 0.000 0.273 403 E C -1.450 175.235 176.600 0.142 0.000 0.903 403 E CA -0.940 55.539 56.400 0.133 0.000 0.764 403 E CB 1.827 31.604 29.700 0.128 0.000 1.252 403 E HN 0.032 nan 8.360 nan 0.000 0.446 404 D N 2.233 122.706 120.400 0.121 0.000 2.607 404 D HA 0.184 4.824 4.640 0.001 0.000 0.318 404 D C -1.762 174.566 176.300 0.047 0.000 1.212 404 D CA -2.222 51.835 54.000 0.096 0.000 0.861 404 D CB 0.858 41.716 40.800 0.096 0.000 1.064 404 D HN 0.111 nan 8.370 nan 0.000 0.500 405 P HA -0.120 nan 4.420 nan 0.000 0.218 405 P C 1.628 178.868 177.300 -0.101 0.000 1.148 405 P CA 0.520 63.623 63.100 0.006 0.000 0.822 405 P CB 0.508 32.242 31.700 0.056 0.000 0.784 406 L N -1.203 119.916 121.223 -0.173 0.000 2.465 406 L HA -0.081 4.260 4.340 0.001 0.000 0.224 406 L C 2.661 179.400 176.870 -0.217 0.000 1.145 406 L CA 1.013 55.702 54.840 -0.252 0.000 0.834 406 L CB -0.599 41.270 42.059 -0.317 0.000 0.944 406 L HN 0.082 nan 8.230 nan 0.000 0.451 407 Q N 0.547 120.234 119.800 -0.187 0.000 2.263 407 Q HA -0.073 4.268 4.340 0.001 0.000 0.196 407 Q C 1.833 177.778 176.000 -0.092 0.000 0.965 407 Q CA 1.799 57.472 55.803 -0.216 0.000 0.851 407 Q CB 0.078 28.670 28.738 -0.243 0.000 0.948 407 Q HN 0.305 nan 8.270 nan 0.000 0.516 408 T N -1.562 112.969 114.554 -0.038 0.000 3.176 408 T HA 0.282 4.632 4.350 0.001 0.000 0.263 408 T C -0.203 174.485 174.700 -0.020 0.000 1.021 408 T CA -0.463 61.638 62.100 0.001 0.000 0.905 408 T CB 0.106 68.996 68.868 0.037 0.000 1.057 408 T HN 0.053 nan 8.240 nan 0.000 0.558 409 D N 1.376 121.754 120.400 -0.036 0.000 2.248 409 D HA 0.600 5.241 4.640 0.001 0.000 0.246 409 D C -0.163 176.095 176.300 -0.069 0.000 1.027 409 D CA -0.453 53.526 54.000 -0.035 0.000 0.853 409 D CB 2.224 43.023 40.800 -0.001 0.000 1.243 409 D HN 0.401 nan 8.370 nan 0.000 0.462 410 A N 2.647 125.409 122.820 -0.097 0.000 2.531 410 A HA 0.151 4.471 4.320 0.001 0.000 0.236 410 A C 0.426 178.008 177.584 -0.004 0.000 1.062 410 A CA 0.329 52.315 52.037 -0.085 0.000 0.760 410 A CB -0.058 18.965 19.000 0.037 0.000 0.995 410 A HN 0.741 nan 8.150 nan 0.000 0.501 411 E N 1.079 121.280 120.200 0.002 0.000 3.730 411 E HA -0.163 4.187 4.350 0.001 0.000 0.210 411 E C -0.106 176.485 176.600 -0.016 0.000 2.009 411 E CA 0.249 56.655 56.400 0.009 0.000 0.925 411 E CB -0.798 28.914 29.700 0.021 0.000 0.994 411 E HN 0.687 nan 8.360 nan 0.000 0.339 412 L N 2.792 123.999 121.223 -0.027 0.000 2.313 412 L HA -0.058 4.282 4.340 0.001 0.000 0.214 412 L C 2.307 179.124 176.870 -0.087 0.000 1.119 412 L CA 0.958 55.755 54.840 -0.071 0.000 0.809 412 L CB -0.200 41.813 42.059 -0.077 0.000 0.933 412 L HN 0.406 nan 8.230 nan 0.000 0.449 413 S N -0.514 115.155 115.700 -0.052 0.000 2.522 413 S HA 0.054 4.525 4.470 0.001 0.000 0.227 413 S C 2.014 176.586 174.600 -0.046 0.000 0.986 413 S CA 0.778 58.948 58.200 -0.050 0.000 0.929 413 S CB 0.156 63.341 63.200 -0.025 0.000 0.769 413 S HN 0.439 nan 8.310 nan 0.000 0.529 414 A N 0.753 123.551 122.820 -0.037 0.000 1.855 414 A HA -0.003 4.317 4.320 0.001 0.000 0.215 414 A C 2.134 179.693 177.584 -0.042 0.000 1.191 414 A CA 1.595 53.619 52.037 -0.021 0.000 0.613 414 A CB -0.892 18.110 19.000 0.003 0.000 0.829 414 A HN 0.392 nan 8.150 nan 0.000 0.442 415 V N -0.109 119.751 119.914 -0.089 0.000 2.667 415 V HA -0.167 3.953 4.120 0.001 0.000 0.252 415 V C 2.532 178.432 176.094 -0.323 0.000 1.065 415 V CA 1.900 64.103 62.300 -0.162 0.000 1.083 415 V CB -0.881 30.811 31.823 -0.219 0.000 0.692 415 V HN 0.545 nan 8.190 nan 0.000 0.468 416 R N 0.605 120.940 120.500 -0.275 0.000 2.070 416 R HA -0.225 4.115 4.340 0.001 0.000 0.233 416 R C 2.438 178.699 176.300 -0.065 0.000 1.137 416 R CA 2.149 58.110 56.100 -0.233 0.000 0.945 416 R CB -0.213 29.997 30.300 -0.150 0.000 0.845 416 R HN 0.451 nan 8.270 nan 0.000 0.430 417 K N -0.044 120.335 120.400 -0.034 0.000 2.097 417 K HA -0.096 4.224 4.320 0.001 0.000 0.206 417 K C 1.864 178.493 176.600 0.048 0.000 1.049 417 K CA 1.359 57.651 56.287 0.007 0.000 0.933 417 K CB -0.155 32.340 32.500 -0.008 0.000 0.717 417 K HN 0.236 nan 8.250 nan 0.000 0.442 418 A N 0.653 123.511 122.820 0.063 0.000 1.903 418 A HA -0.190 4.131 4.320 0.001 0.000 0.219 418 A C 1.923 179.673 177.584 0.276 0.000 1.191 418 A CA 1.696 53.818 52.037 0.142 0.000 0.638 418 A CB -0.921 18.178 19.000 0.164 0.000 0.823 418 A HN 0.390 nan 8.150 nan 0.000 0.451 419 F N -0.015 119.935 119.950 0.001 0.000 2.234 419 F HA -0.052 4.476 4.527 0.001 0.000 0.299 419 F C 2.416 178.216 175.800 -0.000 0.000 1.087 419 F CA 1.020 59.023 58.000 0.006 0.000 1.340 419 F CB -0.775 38.229 39.000 0.007 0.000 1.031 419 F HN 0.378 nan 8.300 nan 0.000 0.500 420 E N -0.130 120.180 120.200 0.183 0.000 2.072 420 E HA -0.175 4.175 4.350 0.001 0.000 0.191 420 E C 1.660 178.288 176.600 0.047 0.000 0.985 420 E CA 1.170 57.623 56.400 0.087 0.000 0.801 420 E CB -0.054 29.678 29.700 0.053 0.000 0.750 420 E HN 0.290 nan 8.360 nan 0.000 0.452 421 D N 0.296 120.720 120.400 0.040 0.000 2.224 421 D HA -0.025 4.615 4.640 0.001 0.000 0.205 421 D C 0.720 177.013 176.300 -0.011 0.000 0.965 421 D CA 0.472 54.471 54.000 -0.002 0.000 0.852 421 D CB 0.104 40.891 40.800 -0.023 0.000 0.947 421 D HN 0.113 nan 8.370 nan 0.000 0.494 422 L N 1.063 122.291 121.223 0.009 0.000 2.452 422 L HA 0.059 4.399 4.340 0.001 0.000 0.267 422 L C 1.818 178.674 176.870 -0.025 0.000 1.188 422 L CA -0.029 54.799 54.840 -0.020 0.000 0.821 422 L CB 1.060 43.102 42.059 -0.029 0.000 1.102 422 L HN -0.126 nan 8.230 nan 0.000 0.470 423 E N 1.251 121.429 120.200 -0.036 0.000 2.112 423 E HA -0.024 4.326 4.350 0.001 0.000 0.190 423 E C -0.466 176.126 176.600 -0.013 0.000 0.979 423 E CA 0.526 56.914 56.400 -0.019 0.000 0.814 423 E CB 0.481 30.171 29.700 -0.018 0.000 0.762 423 E HN 0.340 nan 8.360 nan 0.000 0.460 424 L N 0.295 121.499 121.223 -0.031 0.000 2.543 424 L HA 0.345 4.686 4.340 0.001 0.000 0.265 424 L C -1.779 175.043 176.870 -0.080 0.000 0.945 424 L CA -0.658 54.164 54.840 -0.031 0.000 0.869 424 L CB 2.229 44.274 42.059 -0.023 0.000 1.294 424 L HN -0.300 nan 8.230 nan 0.000 0.405 425 V N 6.402 126.242 119.914 -0.123 0.000 2.444 425 V HA 0.544 4.664 4.120 0.001 0.000 0.294 425 V C -0.186 175.827 176.094 -0.135 0.000 1.022 425 V CA -0.336 61.824 62.300 -0.234 0.000 0.850 425 V CB 1.671 33.162 31.823 -0.553 0.000 0.992 425 V HN 0.614 nan 8.190 nan 0.000 0.426 426 I N 5.117 125.640 120.570 -0.078 0.000 2.377 426 I HA 0.555 4.726 4.170 0.001 0.000 0.293 426 I C -0.569 175.584 176.117 0.060 0.000 0.987 426 I CA -0.781 60.499 61.300 -0.032 0.000 1.185 426 I CB 2.010 39.928 38.000 -0.138 0.000 1.341 426 I HN 0.256 nan 8.210 nan 0.000 0.455 427 V N 5.901 125.855 119.914 0.068 0.000 2.444 427 V HA 0.340 4.461 4.120 0.001 0.000 0.294 427 V C -0.355 175.830 176.094 0.151 0.000 1.022 427 V CA -0.579 61.797 62.300 0.126 0.000 0.850 427 V CB 1.586 33.474 31.823 0.108 0.000 0.992 427 V HN 0.730 nan 8.190 nan 0.000 0.426 428 Q N 3.829 123.755 119.800 0.210 0.000 2.368 428 Q HA 0.481 4.821 4.340 0.001 0.000 0.263 428 Q C -1.235 174.870 176.000 0.175 0.000 1.009 428 Q CA -0.212 55.718 55.803 0.211 0.000 0.818 428 Q CB 1.261 30.175 28.738 0.294 0.000 1.239 428 Q HN 0.867 nan 8.270 nan 0.000 0.464 429 D N 2.432 122.924 120.400 0.154 0.000 0.000 429 D HA 0.241 4.881 4.640 0.001 0.000 0.000 429 D C 0.177 176.552 176.300 0.124 0.000 0.000 429 D CA -0.423 53.671 54.000 0.157 0.000 0.000 429 D CB 1.365 42.267 40.800 0.171 0.000 0.000 429 D HN 0.632 nan 8.370 nan 0.000 0.000 430 I N -2.412 118.224 120.570 0.110 0.000 4.070 430 I HA 0.401 4.571 4.170 0.001 0.000 0.328 430 I C -0.340 175.604 176.117 -0.289 0.000 1.298 430 I CA -0.031 61.240 61.300 -0.050 0.000 1.173 430 I CB 0.336 38.320 38.000 -0.026 0.000 1.051 430 I HN -0.068 nan 8.210 nan 0.000 0.409 431 F N 1.030 121.056 119.950 0.128 0.000 2.588 431 F HA 0.538 5.066 4.527 0.001 0.000 0.314 431 F C 0.006 175.863 175.800 0.095 0.000 1.069 431 F CA -1.223 56.845 58.000 0.114 0.000 0.931 431 F CB 1.746 40.832 39.000 0.144 0.000 1.260 431 F HN -0.190 nan 8.300 nan 0.000 0.465 432 M N 3.130 122.912 119.600 0.303 0.000 2.869 432 M HA 0.153 4.633 4.480 0.001 0.000 0.299 432 M C 0.203 176.631 176.300 0.213 0.000 1.508 432 M CA -0.207 55.207 55.300 0.190 0.000 1.551 432 M CB -1.108 31.567 32.600 0.124 0.000 1.384 432 M HN 0.635 nan 8.290 nan 0.000 0.491 433 T N 0.615 115.284 114.554 0.192 0.000 2.788 433 T HA 0.344 4.694 4.350 0.001 0.000 0.280 433 T C 1.113 175.806 174.700 -0.011 0.000 0.984 433 T CA -0.618 61.561 62.100 0.132 0.000 0.972 433 T CB 0.953 69.911 68.868 0.150 0.000 1.039 433 T HN 0.649 nan 8.240 nan 0.000 0.530 434 K N 0.062 120.346 120.400 -0.193 0.000 2.063 434 K HA -0.114 4.207 4.320 0.001 0.000 0.208 434 K C 2.518 179.073 176.600 -0.074 0.000 1.048 434 K CA 1.859 58.015 56.287 -0.217 0.000 0.928 434 K CB -0.704 31.564 32.500 -0.387 0.000 0.713 434 K HN 0.641 nan 8.250 nan 0.000 0.442 435 T N 1.029 115.574 114.554 -0.015 0.000 2.737 435 T HA -0.132 4.219 4.350 0.001 0.000 0.265 435 T C 2.010 176.837 174.700 0.211 0.000 1.038 435 T CA 1.389 63.569 62.100 0.134 0.000 1.144 435 T CB -0.254 68.719 68.868 0.176 0.000 0.866 435 T HN 0.326 nan 8.240 nan 0.000 0.434 436 A N 1.939 124.843 122.820 0.139 0.000 1.933 436 A HA -0.110 4.211 4.320 0.001 0.000 0.218 436 A C 2.539 180.173 177.584 0.084 0.000 1.175 436 A CA 2.117 54.222 52.037 0.114 0.000 0.628 436 A CB -0.874 18.188 19.000 0.103 0.000 0.814 436 A HN 0.605 nan 8.150 nan 0.000 0.444 437 S N -0.575 115.164 115.700 0.065 0.000 2.474 437 S HA 0.249 4.719 4.470 0.001 0.000 0.235 437 S C 1.514 176.147 174.600 0.056 0.000 0.997 437 S CA 0.952 59.175 58.200 0.039 0.000 0.949 437 S CB -0.271 62.936 63.200 0.012 0.000 0.766 437 S HN 0.904 nan 8.310 nan 0.000 0.517 438 A N 0.470 123.360 122.820 0.116 0.000 2.345 438 A HA 0.784 5.105 4.320 0.001 0.000 0.225 438 A C 0.988 178.694 177.584 0.203 0.000 1.243 438 A CA 0.099 52.245 52.037 0.181 0.000 0.875 438 A CB -0.479 18.668 19.000 0.246 0.000 0.929 438 A HN 0.732 nan 8.150 nan 0.000 0.502 439 A N -0.345 122.539 122.820 0.107 0.000 2.287 439 A HA 0.474 4.794 4.320 0.001 0.000 0.273 439 A C 0.519 178.095 177.584 -0.013 0.000 1.091 439 A CA -0.097 51.942 52.037 0.003 0.000 0.817 439 A CB 0.392 19.392 19.000 -0.001 0.000 1.069 439 A HN 0.257 nan 8.150 nan 0.000 0.492 440 D N -0.922 119.456 120.400 -0.038 0.000 2.216 440 D HA 0.076 4.716 4.640 0.001 0.000 0.208 440 D C 0.371 176.645 176.300 -0.043 0.000 0.960 440 D CA 1.468 55.459 54.000 -0.015 0.000 0.861 440 D CB 0.432 41.251 40.800 0.033 0.000 0.985 440 D HN 0.327 nan 8.370 nan 0.000 0.493 441 V N 0.869 120.762 119.914 -0.036 0.000 2.709 441 V HA 0.432 4.553 4.120 0.001 0.000 0.308 441 V C -1.416 174.647 176.094 -0.052 0.000 1.062 441 V CA -0.810 61.450 62.300 -0.068 0.000 0.901 441 V CB 2.219 34.023 31.823 -0.032 0.000 1.003 441 V HN -0.118 nan 8.190 nan 0.000 0.425 442 I N 6.991 127.514 120.570 -0.079 0.000 2.354 442 I HA 0.446 4.617 4.170 0.001 0.000 0.292 442 I C -0.776 175.284 176.117 -0.095 0.000 0.989 442 I CA -0.599 60.666 61.300 -0.057 0.000 1.188 442 I CB 1.746 39.707 38.000 -0.064 0.000 1.342 442 I HN 0.470 nan 8.210 nan 0.000 0.457 443 L N 8.567 129.783 121.223 -0.012 0.000 2.316 443 L HA 0.456 4.796 4.340 0.001 0.000 0.280 443 L C -2.410 174.525 176.870 0.108 0.000 1.006 443 L CA -1.820 53.033 54.840 0.021 0.000 0.836 443 L CB 1.513 43.700 42.059 0.213 0.000 1.221 443 L HN 0.303 nan 8.230 nan 0.000 0.418 444 P HA 0.142 nan 4.420 nan 0.000 0.287 444 P C -0.539 176.934 177.300 0.289 0.000 1.281 444 P CA -0.236 62.932 63.100 0.113 0.000 0.781 444 P CB 1.606 33.306 31.700 -0.001 0.000 0.903 445 S N 2.123 117.953 115.700 0.217 0.000 2.722 445 S HA 0.547 5.018 4.470 0.001 0.000 0.292 445 S C 0.384 175.115 174.600 0.219 0.000 1.135 445 S CA -0.417 57.906 58.200 0.205 0.000 1.003 445 S CB 0.268 63.567 63.200 0.164 0.000 1.067 445 S HN 0.540 nan 8.310 nan 0.000 0.546 446 T N -0.234 114.453 114.554 0.222 0.000 2.802 446 T HA 0.432 4.782 4.350 0.001 0.000 0.305 446 T C 0.352 175.311 174.700 0.431 0.000 1.053 446 T CA -0.517 61.770 62.100 0.311 0.000 1.058 446 T CB 0.728 69.811 68.868 0.357 0.000 0.988 446 T HN 0.754 nan 8.240 nan 0.000 0.539 447 S N 0.051 115.944 115.700 0.322 0.000 2.681 447 S HA 0.406 4.877 4.470 0.001 0.000 0.299 447 S C -0.803 173.771 174.600 -0.044 0.000 1.113 447 S CA -1.116 57.277 58.200 0.322 0.000 1.013 447 S CB 0.389 63.804 63.200 0.359 0.000 1.076 447 S HN 0.836 nan 8.310 nan 0.000 0.534 448 W N 3.015 124.277 121.300 -0.063 0.000 2.391 448 W HA 0.374 5.034 4.660 0.001 0.000 0.339 448 W C 1.159 177.648 176.519 -0.050 0.000 1.252 448 W CA 1.763 59.052 57.345 -0.094 0.000 1.304 448 W CB -0.345 29.185 29.460 0.117 0.000 1.179 448 W HN 1.145 nan 8.180 nan 0.000 0.567 449 G N 3.292 111.637 108.800 -0.759 0.000 2.345 449 G HA2 -0.340 3.620 3.960 0.001 0.000 0.218 449 G HA3 -0.340 3.620 3.960 0.001 0.000 0.218 449 G C 0.851 175.544 174.900 -0.345 0.000 1.058 449 G CA 0.358 45.059 45.100 -0.665 0.000 0.632 449 G HN 0.588 nan 8.290 nan 0.000 0.508 450 E N 0.859 120.907 120.200 -0.253 0.000 2.481 450 E HA 0.218 4.568 4.350 0.001 0.000 0.198 450 E C 0.876 177.460 176.600 -0.028 0.000 1.027 450 E CA 0.399 56.731 56.400 -0.114 0.000 0.900 450 E CB 0.212 29.902 29.700 -0.016 0.000 0.993 450 E HN 0.885 nan 8.360 nan 0.000 0.482 451 H N -0.712 118.379 119.070 0.035 0.000 2.947 451 H HA 0.486 5.042 4.556 0.001 0.000 0.290 451 H C -0.775 174.519 175.328 -0.058 0.000 1.430 451 H CA -1.064 55.004 56.048 0.032 0.000 1.189 451 H CB 1.157 30.979 29.762 0.099 0.000 1.875 451 H HN -0.015 nan 8.280 nan 0.000 0.568 452 E N -0.081 120.149 120.200 0.049 0.000 2.423 452 E HA 0.723 5.074 4.350 0.001 0.000 0.269 452 E C -0.450 175.611 176.600 -0.899 0.000 0.948 452 E CA -0.945 55.080 56.400 -0.626 0.000 0.802 452 E CB 3.005 32.408 29.700 -0.495 0.000 1.339 452 E HN 0.981 nan 8.360 nan 0.000 0.445 453 G N -0.562 107.272 108.800 -1.610 0.000 2.455 453 G HA2 0.325 4.285 3.960 0.001 0.000 0.223 453 G HA3 0.325 4.285 3.960 0.001 0.000 0.223 453 G C -1.611 172.692 174.900 -0.995 0.000 1.226 453 G CA -0.181 44.328 45.100 -0.985 0.000 0.948 453 G HN 0.595 nan 8.290 nan 0.000 0.478 454 V N 0.649 120.263 119.914 -0.499 0.000 2.709 454 V HA 0.751 4.871 4.120 0.001 0.000 0.308 454 V C -1.219 174.857 176.094 -0.029 0.000 1.062 454 V CA -0.619 61.420 62.300 -0.435 0.000 0.901 454 V CB 1.575 32.834 31.823 -0.940 0.000 1.003 454 V HN 0.560 nan 8.190 nan 0.000 0.425 455 F N 1.099 121.150 119.950 0.169 0.000 2.507 455 F HA 0.674 5.202 4.527 0.001 0.000 0.327 455 F C 0.694 176.584 175.800 0.150 0.000 1.068 455 F CA -1.066 57.017 58.000 0.139 0.000 0.965 455 F CB 2.043 41.075 39.000 0.054 0.000 1.192 455 F HN 0.324 nan 8.300 nan 0.000 0.476 456 T N 2.124 116.915 114.554 0.395 0.000 2.758 456 T HA 0.672 5.023 4.350 0.001 0.000 0.285 456 T C 0.215 174.998 174.700 0.138 0.000 0.981 456 T CA -0.583 61.671 62.100 0.256 0.000 0.965 456 T CB 1.132 70.181 68.868 0.302 0.000 0.927 456 T HN 0.738 nan 8.240 nan 0.000 0.448 457 A N 2.581 125.428 122.820 0.044 0.000 2.292 457 A HA 0.692 5.013 4.320 0.001 0.000 0.265 457 A C 1.931 179.548 177.584 0.055 0.000 1.133 457 A CA 0.057 52.145 52.037 0.085 0.000 0.807 457 A CB -0.458 18.653 19.000 0.184 0.000 1.102 457 A HN 0.998 nan 8.150 nan 0.000 0.502 458 A N -0.082 122.782 122.820 0.074 0.000 1.997 458 A HA -0.184 4.136 4.320 0.001 0.000 0.221 458 A C 1.176 178.729 177.584 -0.053 0.000 1.172 458 A CA 2.307 54.349 52.037 0.008 0.000 0.645 458 A CB -0.685 18.294 19.000 -0.035 0.000 0.813 458 A HN 0.881 nan 8.150 nan 0.000 0.454 459 D N -2.038 118.336 120.400 -0.043 0.000 2.463 459 D HA 0.081 4.722 4.640 0.001 0.000 0.224 459 D C 0.747 176.894 176.300 -0.254 0.000 1.174 459 D CA 0.258 54.185 54.000 -0.121 0.000 0.829 459 D CB -0.418 40.354 40.800 -0.048 0.000 0.993 459 D HN 0.641 nan 8.370 nan 0.000 0.497 460 R N -1.515 118.817 120.500 -0.280 0.000 3.908 460 R HA -0.110 4.230 4.340 0.001 0.000 0.381 460 R C -0.016 175.914 176.300 -0.617 0.000 1.135 460 R CA 0.855 56.650 56.100 -0.509 0.000 0.990 460 R CB -2.660 26.963 30.300 -1.128 0.000 1.557 460 R HN 0.198 nan 8.270 nan 0.000 0.535 461 G N 1.759 110.242 108.800 -0.527 0.000 2.389 461 G HA2 0.395 4.356 3.960 0.001 0.000 0.287 461 G HA3 0.395 4.356 3.960 0.001 0.000 0.287 461 G C -0.126 174.363 174.900 -0.685 0.000 1.126 461 G CA -0.406 44.115 45.100 -0.965 0.000 1.073 461 G HN 0.168 nan 8.290 nan 0.000 0.429 462 F N 1.020 120.761 119.950 -0.349 0.000 2.538 462 F HA 0.289 4.816 4.527 0.001 0.000 0.371 462 F C 1.018 176.637 175.800 -0.302 0.000 1.087 462 F CA -0.044 57.824 58.000 -0.220 0.000 1.250 462 F CB 0.957 39.902 39.000 -0.091 0.000 1.110 462 F HN 0.356 nan 8.300 nan 0.000 0.570 463 Q N 2.672 122.463 119.800 -0.015 0.000 2.345 463 Q HA 0.419 4.759 4.340 0.001 0.000 0.275 463 Q C -0.701 175.212 176.000 -0.144 0.000 1.063 463 Q CA -1.137 54.641 55.803 -0.042 0.000 0.819 463 Q CB 3.057 31.846 28.738 0.085 0.000 1.356 463 Q HN 0.515 nan 8.270 nan 0.000 0.418 464 R N 1.484 121.848 120.500 -0.227 0.000 2.459 464 R HA 0.503 4.843 4.340 0.001 0.000 0.281 464 R C -0.706 175.461 176.300 -0.221 0.000 1.050 464 R CA -0.209 55.597 56.100 -0.490 0.000 1.055 464 R CB 0.624 30.475 30.300 -0.750 0.000 1.045 464 R HN 0.491 nan 8.270 nan 0.000 0.495 465 F N -0.018 119.571 119.950 -0.602 0.000 2.565 465 F HA 0.605 5.133 4.527 0.001 0.000 0.313 465 F C -1.398 174.094 175.800 -0.513 0.000 1.091 465 F CA -1.461 56.339 58.000 -0.334 0.000 0.915 465 F CB 0.898 39.767 39.000 -0.219 0.000 1.208 465 F HN 0.185 nan 8.300 nan 0.000 0.453 466 F N 1.488 121.345 119.950 -0.156 0.000 2.523 466 F HA 0.505 5.032 4.527 0.001 0.000 0.329 466 F C 0.215 175.895 175.800 -0.200 0.000 1.061 466 F CA -1.183 56.679 58.000 -0.230 0.000 0.967 466 F CB 1.701 40.599 39.000 -0.169 0.000 1.218 466 F HN 0.591 nan 8.300 nan 0.000 0.480 467 K N 1.102 121.496 120.400 -0.011 0.000 2.349 467 K HA 0.493 4.813 4.320 0.001 0.000 0.288 467 K C 0.198 176.754 176.600 -0.074 0.000 1.058 467 K CA 0.123 56.370 56.287 -0.067 0.000 0.953 467 K CB 0.932 33.414 32.500 -0.030 0.000 0.997 467 K HN 0.812 nan 8.250 nan 0.000 0.477 468 A N 4.507 127.237 122.820 -0.151 0.000 2.014 468 A HA 0.210 4.531 4.320 0.001 0.000 0.210 468 A C 0.021 177.519 177.584 -0.144 0.000 1.188 468 A CA 0.297 52.236 52.037 -0.164 0.000 0.731 468 A CB 0.652 19.505 19.000 -0.245 0.000 0.858 468 A HN 0.457 nan 8.150 nan 0.000 0.464 469 V N 0.566 120.395 119.914 -0.142 0.000 3.087 469 V HA 0.301 4.421 4.120 0.001 0.000 0.306 469 V C -1.460 174.573 176.094 -0.102 0.000 1.187 469 V CA -1.057 61.169 62.300 -0.124 0.000 0.999 469 V CB 2.207 33.946 31.823 -0.139 0.000 1.049 469 V HN 0.363 nan 8.190 nan 0.000 0.431 470 E N 4.270 124.414 120.200 -0.094 0.000 2.331 470 E HA 0.316 4.666 4.350 0.001 0.000 0.272 470 E C -2.432 174.102 176.600 -0.110 0.000 1.036 470 E CA -1.729 54.622 56.400 -0.082 0.000 0.864 470 E CB 0.978 30.631 29.700 -0.078 0.000 1.035 470 E HN 0.393 nan 8.360 nan 0.000 0.408 471 P HA 0.050 nan 4.420 nan 0.000 0.268 471 P C 0.389 177.543 177.300 -0.242 0.000 1.205 471 P CA -0.215 62.823 63.100 -0.103 0.000 0.771 471 P CB 0.901 32.627 31.700 0.044 0.000 0.858 472 K N 1.183 121.233 120.400 -0.585 0.000 2.305 472 K HA 0.049 4.369 4.320 0.001 0.000 0.199 472 K C 0.595 176.774 176.600 -0.701 0.000 1.047 472 K CA 0.875 56.690 56.287 -0.786 0.000 0.976 472 K CB 0.156 31.949 32.500 -1.179 0.000 0.765 472 K HN 0.607 nan 8.250 nan 0.000 0.474 473 W N 0.559 121.883 121.300 0.040 0.000 2.703 473 W HA 0.178 4.838 4.660 0.001 0.000 0.359 473 W C 0.116 176.684 176.519 0.081 0.000 1.168 473 W CA -1.213 56.165 57.345 0.054 0.000 1.177 473 W CB -0.046 29.444 29.460 0.049 0.000 1.434 473 W HN -0.085 nan 8.180 nan 0.000 0.618 474 D N 1.899 122.514 120.400 0.358 0.000 2.482 474 D HA 0.227 4.867 4.640 0.001 0.000 0.244 474 D C -0.419 176.160 176.300 0.465 0.000 1.242 474 D CA 0.531 54.726 54.000 0.326 0.000 1.097 474 D CB -0.568 40.425 40.800 0.321 0.000 1.109 474 D HN 0.133 nan 8.370 nan 0.000 0.510 475 L N 2.303 123.730 121.223 0.340 0.000 2.334 475 L HA 0.510 4.850 4.340 0.001 0.000 0.272 475 L C 0.740 177.662 176.870 0.087 0.000 1.020 475 L CA -1.020 54.022 54.840 0.337 0.000 0.812 475 L CB 1.711 43.947 42.059 0.294 0.000 1.264 475 L HN -0.047 nan 8.230 nan 0.000 0.439 476 K N 0.195 120.577 120.400 -0.030 0.000 2.267 476 K HA 0.451 4.772 4.320 0.001 0.000 0.246 476 K C -0.367 176.086 176.600 -0.245 0.000 0.954 476 K CA -0.761 55.338 56.287 -0.312 0.000 0.824 476 K CB 2.130 34.224 32.500 -0.677 0.000 1.167 476 K HN 0.701 nan 8.250 nan 0.000 0.431 477 T N -1.703 112.576 114.554 -0.459 0.000 2.856 477 T HA 0.012 4.363 4.350 0.001 0.000 0.306 477 T C 0.784 175.177 174.700 -0.512 0.000 1.062 477 T CA -0.349 61.402 62.100 -0.582 0.000 1.083 477 T CB 0.534 68.707 68.868 -1.158 0.000 0.984 477 T HN 0.439 nan 8.240 nan 0.000 0.542 478 D N 0.808 121.016 120.400 -0.319 0.000 2.123 478 D HA -0.108 4.533 4.640 0.001 0.000 0.196 478 D C 1.958 178.211 176.300 -0.078 0.000 0.992 478 D CA 1.658 55.596 54.000 -0.104 0.000 0.833 478 D CB -0.086 40.726 40.800 0.019 0.000 0.954 478 D HN 0.895 nan 8.370 nan 0.000 0.455 479 W N 1.175 122.454 121.300 -0.034 0.000 2.436 479 W HA -0.006 4.654 4.660 0.001 0.000 0.284 479 W C 1.698 178.227 176.519 0.016 0.000 1.225 479 W CA 0.057 57.397 57.345 -0.009 0.000 1.271 479 W CB -0.930 28.518 29.460 -0.019 0.000 1.114 479 W HN 0.007 nan 8.180 nan 0.000 0.559 480 Q N 1.131 120.684 119.800 -0.412 0.000 2.096 480 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 480 Q C 2.399 178.284 176.000 -0.191 0.000 0.982 480 Q CA 2.472 58.085 55.803 -0.317 0.000 0.850 480 Q CB -0.315 28.055 28.738 -0.613 0.000 0.901 480 Q HN 0.346 nan 8.270 nan 0.000 0.422 481 I N 0.171 120.612 120.570 -0.214 0.000 2.179 481 I HA -0.293 3.878 4.170 0.001 0.000 0.242 481 I C 2.131 178.216 176.117 -0.054 0.000 1.088 481 I CA 1.125 62.346 61.300 -0.131 0.000 1.357 481 I CB -0.312 37.685 38.000 -0.005 0.000 1.051 481 I HN 0.203 nan 8.210 nan 0.000 0.409 482 I N 0.179 120.729 120.570 -0.034 0.000 2.142 482 I HA -0.277 3.894 4.170 0.001 0.000 0.240 482 I C 2.689 178.722 176.117 -0.140 0.000 1.078 482 I CA 1.320 62.526 61.300 -0.157 0.000 1.343 482 I CB -0.461 37.463 38.000 -0.128 0.000 1.046 482 I HN 0.128 nan 8.210 nan 0.000 0.405 483 S N 0.069 115.796 115.700 0.045 0.000 2.374 483 S HA -0.290 4.180 4.470 0.001 0.000 0.227 483 S C 1.972 176.614 174.600 0.069 0.000 1.037 483 S CA 1.888 60.163 58.200 0.125 0.000 1.024 483 S CB -0.343 63.005 63.200 0.247 0.000 0.861 483 S HN 0.481 nan 8.310 nan 0.000 0.456 484 E N 0.587 120.794 120.200 0.012 0.000 2.107 484 E HA -0.044 4.307 4.350 0.001 0.000 0.191 484 E C 1.893 178.501 176.600 0.012 0.000 0.982 484 E CA 0.750 57.150 56.400 -0.001 0.000 0.809 484 E CB -0.124 29.543 29.700 -0.054 0.000 0.756 484 E HN 0.500 nan 8.360 nan 0.000 0.459 485 I N 0.868 121.421 120.570 -0.027 0.000 2.179 485 I HA -0.255 3.916 4.170 0.001 0.000 0.242 485 I C 2.541 178.711 176.117 0.089 0.000 1.088 485 I CA 0.996 62.286 61.300 -0.017 0.000 1.357 485 I CB -0.370 37.538 38.000 -0.153 0.000 1.051 485 I HN 0.193 nan 8.210 nan 0.000 0.409 486 A N 0.554 123.432 122.820 0.096 0.000 1.883 486 A HA -0.235 4.085 4.320 0.001 0.000 0.217 486 A C 2.393 180.132 177.584 0.259 0.000 1.186 486 A CA 2.670 54.892 52.037 0.308 0.000 0.624 486 A CB -1.205 17.988 19.000 0.322 0.000 0.822 486 A HN 0.416 nan 8.150 nan 0.000 0.444 487 T N -0.356 114.299 114.554 0.168 0.000 2.777 487 T HA -0.115 4.235 4.350 0.001 0.000 0.266 487 T C 1.956 176.710 174.700 0.091 0.000 1.040 487 T CA 1.503 63.672 62.100 0.114 0.000 1.141 487 T CB -0.234 68.671 68.868 0.061 0.000 0.868 487 T HN 0.528 nan 8.240 nan 0.000 0.444 488 R N 0.471 121.022 120.500 0.085 0.000 2.235 488 R HA 0.197 4.537 4.340 0.001 0.000 0.213 488 R C 2.008 178.359 176.300 0.086 0.000 1.059 488 R CA 0.767 56.909 56.100 0.071 0.000 0.997 488 R CB -0.212 30.125 30.300 0.062 0.000 0.884 488 R HN 0.403 nan 8.270 nan 0.000 0.462 489 M N -0.788 118.888 119.600 0.127 0.000 2.561 489 M HA 0.154 4.634 4.480 0.001 0.000 0.238 489 M C 0.681 177.057 176.300 0.126 0.000 1.131 489 M CA 0.554 55.933 55.300 0.131 0.000 1.046 489 M CB 1.083 33.794 32.600 0.185 0.000 1.532 489 M HN 0.433 nan 8.290 nan 0.000 0.497 490 G N 0.487 109.361 108.800 0.123 0.000 2.163 490 G HA2 -0.292 3.668 3.960 0.001 0.000 0.213 490 G HA3 -0.292 3.668 3.960 0.001 0.000 0.213 490 G C -0.434 174.546 174.900 0.132 0.000 0.991 490 G CA -0.564 44.596 45.100 0.100 0.000 0.653 490 G HN 0.510 nan 8.290 nan 0.000 0.518 491 Y N 2.832 123.160 120.300 0.048 0.000 2.402 491 Y HA 0.572 5.122 4.550 0.001 0.000 0.332 491 Y C -2.218 173.703 175.900 0.036 0.000 0.960 491 Y CA -2.688 55.437 58.100 0.042 0.000 1.228 491 Y CB 1.951 40.441 38.460 0.049 0.000 1.120 491 Y HN 0.043 nan 8.280 nan 0.000 0.491 492 P HA 0.038 nan 4.420 nan 0.000 0.265 492 P C -0.853 176.376 177.300 -0.118 0.000 1.222 492 P CA 0.352 63.351 63.100 -0.169 0.000 0.767 492 P CB 0.590 32.173 31.700 -0.196 0.000 0.801 493 M N 5.385 125.011 119.600 0.043 0.000 2.224 493 M HA 0.344 4.824 4.480 0.001 0.000 0.281 493 M C -1.313 175.009 176.300 0.038 0.000 1.025 493 M CA -0.334 54.988 55.300 0.036 0.000 0.954 493 M CB 1.634 34.353 32.600 0.199 0.000 1.639 493 M HN 0.517 nan 8.290 nan 0.000 0.461 494 H N 2.844 121.725 119.070 -0.314 0.000 3.079 494 H HA 0.451 5.007 4.556 0.001 0.000 0.356 494 H C -2.530 172.491 175.328 -0.512 0.000 1.221 494 H CA -0.615 55.300 56.048 -0.222 0.000 1.185 494 H CB 1.016 30.723 29.762 -0.092 0.000 1.882 494 H HN 0.708 nan 8.280 nan 0.000 0.543 495 Y N 0.946 121.214 120.300 -0.053 0.000 2.477 495 Y HA 0.277 4.827 4.550 0.001 0.000 0.347 495 Y C 1.070 177.009 175.900 0.065 0.000 0.981 495 Y CA -0.892 57.101 58.100 -0.178 0.000 1.033 495 Y CB 2.020 40.322 38.460 -0.263 0.000 1.245 495 Y HN 0.599 nan 8.280 nan 0.000 0.455 496 N N 1.623 120.391 118.700 0.112 0.000 2.415 496 N HA -0.003 4.737 4.740 0.001 0.000 0.176 496 N C -0.593 175.028 175.510 0.184 0.000 1.042 496 N CA 0.569 53.721 53.050 0.171 0.000 0.902 496 N CB 0.205 38.746 38.487 0.089 0.000 0.986 496 N HN 0.802 nan 8.380 nan 0.000 0.447 497 N N -1.664 117.053 118.700 0.028 0.000 3.185 497 N HA -0.009 4.731 4.740 0.001 0.000 0.238 497 N C 0.282 175.507 175.510 -0.475 0.000 1.451 497 N CA -0.298 52.711 53.050 -0.067 0.000 0.888 497 N CB 0.819 39.289 38.487 -0.027 0.000 1.413 497 N HN -0.209 nan 8.380 nan 0.000 0.511 498 T N -2.873 111.405 114.554 -0.460 0.000 2.915 498 T HA -0.209 4.142 4.350 0.001 0.000 0.269 498 T C 1.604 176.011 174.700 -0.488 0.000 1.071 498 T CA 1.334 63.077 62.100 -0.594 0.000 1.132 498 T CB -0.158 68.514 68.868 -0.326 0.000 0.878 498 T HN 0.600 nan 8.240 nan 0.000 0.479 499 Q N 0.931 120.401 119.800 -0.550 0.000 2.170 499 Q HA -0.163 4.177 4.340 0.001 0.000 0.203 499 Q C 2.290 177.987 176.000 -0.505 0.000 0.976 499 Q CA 1.527 56.779 55.803 -0.919 0.000 0.858 499 Q CB -0.119 28.076 28.738 -0.906 0.000 0.907 499 Q HN 0.718 nan 8.270 nan 0.000 0.433 500 E N 0.036 120.018 120.200 -0.364 0.000 2.077 500 E HA -0.188 4.162 4.350 0.001 0.000 0.193 500 E C 1.989 178.419 176.600 -0.284 0.000 0.989 500 E CA 1.267 57.537 56.400 -0.215 0.000 0.800 500 E CB -0.077 29.598 29.700 -0.042 0.000 0.746 500 E HN 0.433 nan 8.360 nan 0.000 0.452 501 I N 0.432 120.646 120.570 -0.593 0.000 2.202 501 I HA -0.249 3.921 4.170 0.001 0.000 0.242 501 I C 2.435 178.258 176.117 -0.491 0.000 1.091 501 I CA 0.930 61.763 61.300 -0.779 0.000 1.368 501 I CB -0.387 37.033 38.000 -0.967 0.000 1.058 501 I HN 0.355 nan 8.210 nan 0.000 0.410 502 W N 2.485 123.451 121.300 -0.557 0.000 2.358 502 W HA -0.221 4.439 4.660 0.001 0.000 0.303 502 W C 1.897 178.198 176.519 -0.362 0.000 1.208 502 W CA 1.632 58.708 57.345 -0.448 0.000 1.274 502 W CB -0.142 29.100 29.460 -0.364 0.000 1.138 502 W HN 0.211 nan 8.180 nan 0.000 0.515 503 D N 0.067 120.318 120.400 -0.247 0.000 2.144 503 D HA -0.202 4.438 4.640 0.001 0.000 0.200 503 D C 1.930 178.167 176.300 -0.106 0.000 0.978 503 D CA 1.531 55.432 54.000 -0.164 0.000 0.833 503 D CB -0.498 40.233 40.800 -0.114 0.000 0.961 503 D HN 0.398 nan 8.370 nan 0.000 0.470 504 E N 0.364 120.450 120.200 -0.190 0.000 2.051 504 E HA -0.181 4.169 4.350 0.001 0.000 0.192 504 E C 2.265 178.732 176.600 -0.221 0.000 0.991 504 E CA 0.951 57.273 56.400 -0.130 0.000 0.799 504 E CB 0.002 29.694 29.700 -0.013 0.000 0.748 504 E HN 0.263 nan 8.360 nan 0.000 0.449 505 L N -0.513 120.372 121.223 -0.564 0.000 2.093 505 L HA -0.018 4.322 4.340 0.001 0.000 0.208 505 L C 2.396 179.024 176.870 -0.404 0.000 1.085 505 L CA 1.278 55.743 54.840 -0.624 0.000 0.755 505 L CB -0.596 40.798 42.059 -1.109 0.000 0.904 505 L HN -0.084 nan 8.230 nan 0.000 0.435 506 R N -0.282 119.928 120.500 -0.483 0.000 2.113 506 R HA -0.211 4.129 4.340 0.001 0.000 0.244 506 R C 2.271 178.563 176.300 -0.014 0.000 1.142 506 R CA 2.302 58.228 56.100 -0.290 0.000 0.953 506 R CB -0.823 29.261 30.300 -0.360 0.000 0.860 506 R HN 0.539 nan 8.270 nan 0.000 0.438 507 H N -0.416 118.631 119.070 -0.037 0.000 2.545 507 H HA 0.021 4.578 4.556 0.001 0.000 0.282 507 H C 1.557 176.751 175.328 -0.223 0.000 1.020 507 H CA 0.823 56.848 56.048 -0.038 0.000 1.243 507 H CB 0.145 29.877 29.762 -0.051 0.000 1.377 507 H HN 0.117 nan 8.280 nan 0.000 0.581 508 L N -1.206 119.899 121.223 -0.196 0.000 2.590 508 L HA 0.159 4.499 4.340 0.001 0.000 0.227 508 L C -0.046 176.619 176.870 -0.342 0.000 1.099 508 L CA 0.010 54.588 54.840 -0.436 0.000 0.872 508 L CB 0.809 42.470 42.059 -0.664 0.000 1.088 508 L HN 0.167 nan 8.230 nan 0.000 0.479 509 C N 0.455 119.617 119.300 -0.231 0.000 2.362 509 C HA 0.294 4.754 4.460 0.001 0.000 0.309 509 C C -1.155 173.698 174.990 -0.227 0.000 1.110 509 C CA -1.103 57.752 59.018 -0.271 0.000 1.485 509 C CB 0.846 28.355 27.740 -0.385 0.000 1.949 509 C HN 0.099 nan 8.230 nan 0.000 0.419 510 P HA -0.139 nan 4.420 nan 0.000 0.217 510 P C 0.931 178.209 177.300 -0.036 0.000 1.148 510 P CA 1.569 64.599 63.100 -0.117 0.000 0.828 510 P CB 0.249 31.879 31.700 -0.117 0.000 0.783 511 D N -2.519 117.798 120.400 -0.139 0.000 2.355 511 D HA 0.012 4.652 4.640 0.001 0.000 0.218 511 D C 0.849 177.333 176.300 0.307 0.000 1.004 511 D CA 0.717 54.723 54.000 0.010 0.000 0.880 511 D CB -0.178 40.573 40.800 -0.082 0.000 0.911 511 D HN 0.187 nan 8.370 nan 0.000 0.528 512 F N -1.303 118.711 119.950 0.106 0.000 2.706 512 F HA 0.129 4.656 4.527 0.001 0.000 0.308 512 F C 1.624 177.447 175.800 0.038 0.000 1.095 512 F CA -1.087 56.995 58.000 0.136 0.000 1.244 512 F CB -0.968 37.977 39.000 -0.092 0.000 1.063 512 F HN -0.090 nan 8.300 nan 0.000 0.582 513 Y N 1.508 121.838 120.300 0.049 0.000 2.207 513 Y HA -0.094 4.456 4.550 0.001 0.000 0.287 513 Y C 2.337 178.229 175.900 -0.015 0.000 1.156 513 Y CA 1.756 59.806 58.100 -0.084 0.000 1.182 513 Y CB -0.560 37.807 38.460 -0.154 0.000 0.979 513 Y HN 0.051 nan 8.280 nan 0.000 0.521 514 G N -0.549 108.267 108.800 0.027 0.000 2.598 514 G HA2 0.016 3.976 3.960 0.001 0.000 0.215 514 G HA3 0.016 3.976 3.960 0.001 0.000 0.215 514 G C 0.829 175.754 174.900 0.042 0.000 1.131 514 G CA 0.297 45.386 45.100 -0.018 0.000 0.785 514 G HN 0.542 nan 8.290 nan 0.000 0.539 515 A N 1.753 124.669 122.820 0.160 0.000 3.091 515 A HA 0.524 4.844 4.320 0.001 0.000 0.264 515 A C 1.092 178.861 177.584 0.308 0.000 1.673 515 A CA 0.112 52.316 52.037 0.278 0.000 1.362 515 A CB -1.026 18.274 19.000 0.500 0.000 1.137 515 A HN 0.352 nan 8.150 nan 0.000 0.617 516 T N -2.138 112.510 114.554 0.157 0.000 2.856 516 T HA 0.141 4.491 4.350 0.001 0.000 0.306 516 T C 0.953 175.778 174.700 0.208 0.000 1.062 516 T CA 0.003 62.209 62.100 0.178 0.000 1.083 516 T CB 0.267 69.165 68.868 0.050 0.000 0.984 516 T HN 0.373 nan 8.240 nan 0.000 0.542 517 Y N 0.544 120.815 120.300 -0.049 0.000 2.139 517 Y HA -0.145 4.405 4.550 0.001 0.000 0.282 517 Y C 2.671 178.531 175.900 -0.067 0.000 1.179 517 Y CA 1.903 59.912 58.100 -0.151 0.000 1.161 517 Y CB -0.603 37.765 38.460 -0.153 0.000 0.970 517 Y HN 0.918 nan 8.280 nan 0.000 0.511 518 E N 0.029 120.306 120.200 0.128 0.000 2.072 518 E HA -0.237 4.114 4.350 0.001 0.000 0.191 518 E C 2.301 178.932 176.600 0.052 0.000 0.985 518 E CA 1.247 57.692 56.400 0.075 0.000 0.801 518 E CB -0.083 29.653 29.700 0.059 0.000 0.750 518 E HN 0.400 nan 8.360 nan 0.000 0.452 519 K N -0.014 120.419 120.400 0.055 0.000 2.057 519 K HA -0.126 4.194 4.320 0.001 0.000 0.206 519 K C 2.189 178.818 176.600 0.048 0.000 1.050 519 K CA 1.334 57.655 56.287 0.055 0.000 0.935 519 K CB 0.003 32.545 32.500 0.069 0.000 0.715 519 K HN 0.146 nan 8.250 nan 0.000 0.439 520 M N 0.376 119.984 119.600 0.013 0.000 2.099 520 M HA -0.029 4.451 4.480 0.001 0.000 0.262 520 M C 1.417 177.717 176.300 -0.000 0.000 1.067 520 M CA 1.274 56.559 55.300 -0.026 0.000 1.124 520 M CB -0.710 31.784 32.600 -0.177 0.000 1.353 520 M HN 0.443 nan 8.290 nan 0.000 0.410 521 G N 0.726 109.527 108.800 0.001 0.000 2.581 521 G HA2 -0.328 3.632 3.960 0.001 0.000 0.289 521 G HA3 -0.328 3.632 3.960 0.001 0.000 0.289 521 G C 0.304 175.304 174.900 0.167 0.000 1.303 521 G CA 0.626 45.773 45.100 0.078 0.000 0.931 521 G HN 0.554 nan 8.290 nan 0.000 0.555 522 E N -0.648 119.610 120.200 0.097 0.000 2.158 522 E HA 0.138 4.488 4.350 0.001 0.000 0.191 522 E C 2.292 178.959 176.600 0.111 0.000 0.982 522 E CA 1.088 57.526 56.400 0.063 0.000 0.823 522 E CB 0.103 29.703 29.700 -0.166 0.000 0.766 522 E HN 0.373 nan 8.360 nan 0.000 0.468 523 L N -0.371 120.904 121.223 0.087 0.000 3.086 523 L HA 0.260 4.601 4.340 0.001 0.000 0.274 523 L C 0.986 177.936 176.870 0.134 0.000 1.184 523 L CA -0.498 54.405 54.840 0.104 0.000 1.002 523 L CB 1.020 43.118 42.059 0.065 0.000 1.383 523 L HN -0.030 nan 8.230 nan 0.000 0.582 524 G N -0.062 108.811 108.800 0.122 0.000 2.483 524 G HA2 0.202 4.163 3.960 0.001 0.000 0.248 524 G HA3 0.202 4.163 3.960 0.001 0.000 0.248 524 G C -1.310 173.719 174.900 0.215 0.000 1.248 524 G CA 0.045 45.231 45.100 0.145 0.000 0.838 524 G HN 0.043 nan 8.290 nan 0.000 0.566 525 F N 3.272 123.259 119.950 0.062 0.000 2.513 525 F HA 0.450 4.978 4.527 0.001 0.000 0.358 525 F C -0.670 175.170 175.800 0.066 0.000 1.118 525 F CA -1.230 56.810 58.000 0.066 0.000 1.037 525 F CB 1.171 40.201 39.000 0.051 0.000 1.276 525 F HN 0.135 nan 8.300 nan 0.000 0.446 526 I N 5.758 126.307 120.570 -0.035 0.000 2.371 526 I HA 0.259 4.430 4.170 0.001 0.000 0.282 526 I C -0.269 175.810 176.117 -0.064 0.000 1.031 526 I CA -0.428 60.913 61.300 0.068 0.000 1.180 526 I CB 1.149 39.266 38.000 0.194 0.000 1.336 526 I HN 0.586 nan 8.210 nan 0.000 0.467 527 Q N 6.099 125.840 119.800 -0.098 0.000 2.288 527 Q HA 0.193 4.533 4.340 0.001 0.000 0.254 527 Q C -0.360 175.541 176.000 -0.165 0.000 0.932 527 Q CA -0.303 55.336 55.803 -0.273 0.000 0.902 527 Q CB 1.641 30.249 28.738 -0.217 0.000 1.203 527 Q HN 0.611 nan 8.270 nan 0.000 0.415 528 W N 1.980 123.106 121.300 -0.289 0.000 2.303 528 W HA 0.482 5.143 4.660 0.001 0.000 0.334 528 W C -2.837 173.680 176.519 -0.003 0.000 1.197 528 W CA -2.721 54.596 57.345 -0.047 0.000 1.262 528 W CB -0.320 29.176 29.460 0.060 0.000 1.153 528 W HN 0.383 nan 8.180 nan 0.000 0.596 529 P HA 0.024 nan 4.420 nan 0.000 0.268 529 P C -0.603 176.882 177.300 0.308 0.000 1.204 529 P CA 0.098 63.478 63.100 0.467 0.000 0.768 529 P CB 0.621 32.501 31.700 0.300 0.000 0.842 530 C N 5.481 125.005 119.300 0.372 0.000 2.478 530 C HA 0.371 4.832 4.460 0.001 0.000 0.334 530 C C 1.304 176.447 174.990 0.255 0.000 1.106 530 C CA -0.338 58.844 59.018 0.274 0.000 1.363 530 C CB -0.231 27.694 27.740 0.309 0.000 1.941 530 C HN 0.644 nan 8.230 nan 0.000 0.436 531 R N 1.614 122.226 120.500 0.186 0.000 2.225 531 R HA 0.179 4.520 4.340 0.001 0.000 0.194 531 R C -0.605 175.822 176.300 0.212 0.000 0.957 531 R CA 0.366 56.574 56.100 0.179 0.000 1.042 531 R CB 0.358 30.728 30.300 0.117 0.000 1.004 531 R HN 0.651 nan 8.270 nan 0.000 0.509 532 D N -0.299 120.194 120.400 0.155 0.000 2.278 532 D HA 0.057 4.697 4.640 0.001 0.000 0.245 532 D C 0.795 177.140 176.300 0.075 0.000 1.052 532 D CA -0.132 53.951 54.000 0.139 0.000 0.834 532 D CB 2.131 42.986 40.800 0.091 0.000 1.194 532 D HN -0.024 nan 8.370 nan 0.000 0.481 533 T N -1.040 113.526 114.554 0.020 0.000 2.962 533 T HA -0.101 4.249 4.350 0.001 0.000 0.270 533 T C 1.224 175.923 174.700 -0.001 0.000 1.088 533 T CA 0.062 62.123 62.100 -0.065 0.000 1.127 533 T CB -0.059 68.717 68.868 -0.154 0.000 0.883 533 T HN 0.251 nan 8.240 nan 0.000 0.493 534 S N 1.257 116.974 115.700 0.028 0.000 2.558 534 S HA -0.031 4.439 4.470 0.001 0.000 0.291 534 S C 0.864 175.484 174.600 0.034 0.000 1.306 534 S CA -0.276 57.943 58.200 0.031 0.000 1.056 534 S CB 0.181 63.404 63.200 0.037 0.000 0.836 534 S HN 0.355 nan 8.310 nan 0.000 0.504 535 D N 3.277 123.696 120.400 0.032 0.000 2.378 535 D HA 0.083 4.723 4.640 0.001 0.000 0.222 535 D C 1.844 178.167 176.300 0.038 0.000 0.980 535 D CA 1.063 55.085 54.000 0.036 0.000 0.907 535 D CB -0.267 40.553 40.800 0.032 0.000 0.899 535 D HN 0.645 nan 8.370 nan 0.000 0.527 536 A N -0.042 122.799 122.820 0.035 0.000 2.019 536 A HA -0.121 4.199 4.320 0.001 0.000 0.219 536 A C 1.175 178.782 177.584 0.038 0.000 1.164 536 A CA 0.886 52.944 52.037 0.034 0.000 0.644 536 A CB -0.056 18.962 19.000 0.030 0.000 0.805 536 A HN 0.136 nan 8.150 nan 0.000 0.449 537 D N -0.228 120.200 120.400 0.047 0.000 2.412 537 D HA 0.286 4.926 4.640 0.001 0.000 0.224 537 D C 0.221 176.563 176.300 0.069 0.000 1.093 537 D CA -0.256 53.777 54.000 0.056 0.000 0.850 537 D CB 0.668 41.508 40.800 0.067 0.000 1.046 537 D HN 0.124 nan 8.370 nan 0.000 0.507 538 Q N 2.258 122.096 119.800 0.064 0.000 2.198 538 Q HA 0.342 4.682 4.340 0.001 0.000 0.209 538 Q C 0.810 176.860 176.000 0.083 0.000 0.848 538 Q CA -0.155 55.695 55.803 0.077 0.000 0.974 538 Q CB 0.951 29.730 28.738 0.069 0.000 1.115 538 Q HN 0.766 nan 8.270 nan 0.000 0.494 539 G N 0.381 109.227 108.800 0.076 0.000 2.483 539 G HA2 -0.163 3.797 3.960 0.001 0.000 0.521 539 G HA3 -0.163 3.797 3.960 0.001 0.000 0.521 539 G C -0.798 174.099 174.900 -0.005 0.000 1.278 539 G CA -0.749 44.389 45.100 0.063 0.000 0.965 539 G HN 0.041 nan 8.290 nan 0.000 0.504 540 T N 0.520 115.039 114.554 -0.058 0.000 2.809 540 T HA 0.577 4.927 4.350 0.001 0.000 0.296 540 T C 1.206 175.794 174.700 -0.188 0.000 1.015 540 T CA 0.598 62.606 62.100 -0.153 0.000 0.954 540 T CB 1.527 70.294 68.868 -0.169 0.000 0.950 540 T HN 1.025 nan 8.240 nan 0.000 0.450 541 S N 2.881 118.477 115.700 -0.174 0.000 2.355 541 S HA -0.012 4.458 4.470 0.001 0.000 0.222 541 S C 0.426 174.969 174.600 -0.095 0.000 1.031 541 S CA 1.019 59.163 58.200 -0.094 0.000 0.993 541 S CB -0.164 63.030 63.200 -0.011 0.000 0.859 541 S HN 0.748 nan 8.310 nan 0.000 0.453 542 Y N -0.518 119.673 120.300 -0.183 0.000 2.545 542 Y HA 0.728 5.278 4.550 0.001 0.000 0.348 542 Y C -0.914 174.815 175.900 -0.285 0.000 1.002 542 Y CA -1.651 56.311 58.100 -0.231 0.000 1.039 542 Y CB 0.683 39.031 38.460 -0.187 0.000 1.271 542 Y HN -0.059 nan 8.280 nan 0.000 0.467 543 L N 3.247 124.291 121.223 -0.300 0.000 2.399 543 L HA 0.394 4.734 4.340 0.001 0.000 0.265 543 L C -0.741 175.853 176.870 -0.460 0.000 1.089 543 L CA -0.824 53.611 54.840 -0.674 0.000 0.802 543 L CB 0.299 41.500 42.059 -1.431 0.000 1.180 543 L HN 0.920 nan 8.230 nan 0.000 0.454 544 F N -0.636 119.309 119.950 -0.007 0.000 2.893 544 F HA -0.230 4.297 4.527 0.001 0.000 0.287 544 F C 1.487 177.208 175.800 -0.131 0.000 0.766 544 F CA 0.573 58.480 58.000 -0.154 0.000 1.362 544 F CB -1.996 36.829 39.000 -0.292 0.000 1.518 544 F HN 0.571 nan 8.300 nan 0.000 0.417 545 K N 0.336 120.795 120.400 0.098 0.000 2.063 545 K HA -0.194 4.126 4.320 0.001 0.000 0.208 545 K C 1.753 178.376 176.600 0.039 0.000 1.048 545 K CA 2.013 58.381 56.287 0.134 0.000 0.928 545 K CB 0.156 32.685 32.500 0.049 0.000 0.713 545 K HN 0.346 nan 8.250 nan 0.000 0.442 546 E N 0.239 120.434 120.200 -0.008 0.000 2.175 546 E HA 0.032 4.382 4.350 0.001 0.000 0.195 546 E C 0.225 176.778 176.600 -0.078 0.000 0.934 546 E CA 0.747 57.132 56.400 -0.026 0.000 0.870 546 E CB 0.476 30.171 29.700 -0.008 0.000 0.838 546 E HN 0.383 nan 8.360 nan 0.000 0.474 547 K N -0.886 119.460 120.400 -0.091 0.000 2.522 547 K HA 0.433 4.753 4.320 0.001 0.000 0.275 547 K C -0.828 175.660 176.600 -0.186 0.000 1.006 547 K CA -0.733 55.473 56.287 -0.135 0.000 0.890 547 K CB 0.977 33.472 32.500 -0.008 0.000 1.475 547 K HN -0.263 nan 8.250 nan 0.000 0.441 548 F N 0.846 120.801 119.950 0.007 0.000 2.368 548 F HA 0.188 4.716 4.527 0.001 0.000 0.315 548 F C 0.939 176.756 175.800 0.028 0.000 1.145 548 F CA -0.262 57.673 58.000 -0.109 0.000 1.095 548 F CB 0.636 39.440 39.000 -0.327 0.000 1.286 548 F HN 0.565 nan 8.300 nan 0.000 0.530 549 D N -0.459 120.105 120.400 0.274 0.000 2.370 549 D HA 0.052 4.692 4.640 0.001 0.000 0.230 549 D C 0.406 176.796 176.300 0.149 0.000 1.143 549 D CA 0.241 54.389 54.000 0.246 0.000 0.834 549 D CB -0.592 40.416 40.800 0.347 0.000 0.944 549 D HN 0.453 nan 8.370 nan 0.000 0.504 550 T N -2.292 112.321 114.554 0.097 0.000 2.868 550 T HA 0.209 4.560 4.350 0.001 0.000 0.292 550 T C -1.526 173.197 174.700 0.039 0.000 1.028 550 T CA -1.454 60.666 62.100 0.033 0.000 1.059 550 T CB 1.590 70.444 68.868 -0.023 0.000 0.991 550 T HN -0.272 nan 8.240 nan 0.000 0.531 551 P HA -0.175 nan 4.420 nan 0.000 0.217 551 P C 1.143 178.456 177.300 0.023 0.000 1.158 551 P CA 1.360 64.468 63.100 0.013 0.000 0.887 551 P CB -0.066 31.630 31.700 -0.007 0.000 0.792 552 N N -2.095 116.617 118.700 0.019 0.000 2.235 552 N HA 0.116 4.857 4.740 0.001 0.000 0.209 552 N C 1.116 176.649 175.510 0.038 0.000 1.122 552 N CA 0.512 53.576 53.050 0.023 0.000 0.845 552 N CB -0.662 37.834 38.487 0.014 0.000 1.004 552 N HN 0.206 nan 8.380 nan 0.000 0.499 553 G N 0.216 109.052 108.800 0.060 0.000 2.189 553 G HA2 -0.281 3.680 3.960 0.001 0.000 0.267 553 G HA3 -0.281 3.680 3.960 0.001 0.000 0.267 553 G C -0.290 174.706 174.900 0.160 0.000 0.975 553 G CA 0.618 45.779 45.100 0.102 0.000 0.644 553 G HN 0.384 nan 8.290 nan 0.000 0.537 554 L N 0.620 121.896 121.223 0.087 0.000 2.325 554 L HA 0.731 5.071 4.340 0.001 0.000 0.279 554 L C 1.032 177.827 176.870 -0.126 0.000 1.054 554 L CA -0.524 54.349 54.840 0.056 0.000 0.804 554 L CB 1.561 43.623 42.059 0.005 0.000 1.200 554 L HN 0.257 nan 8.230 nan 0.000 0.436 555 A N 2.971 125.527 122.820 -0.440 0.000 2.386 555 A HA 0.398 4.719 4.320 0.001 0.000 0.248 555 A C -0.388 176.949 177.584 -0.412 0.000 1.082 555 A CA -0.377 51.163 52.037 -0.828 0.000 0.789 555 A CB 0.369 18.482 19.000 -1.478 0.000 1.025 555 A HN 0.662 nan 8.150 nan 0.000 0.490 556 Q N 1.182 120.767 119.800 -0.359 0.000 2.333 556 Q HA 0.387 4.728 4.340 0.001 0.000 0.265 556 Q C -1.348 174.568 176.000 -0.139 0.000 0.989 556 Q CA -0.139 55.570 55.803 -0.156 0.000 0.842 556 Q CB 1.449 30.123 28.738 -0.106 0.000 1.262 556 Q HN 0.608 nan 8.270 nan 0.000 0.451 557 F N 2.379 122.292 119.950 -0.062 0.000 2.459 557 F HA 0.352 4.880 4.527 0.001 0.000 0.346 557 F C 0.101 175.962 175.800 0.101 0.000 1.128 557 F CA 0.236 58.202 58.000 -0.057 0.000 1.268 557 F CB 0.517 39.462 39.000 -0.091 0.000 1.161 557 F HN 0.440 nan 8.300 nan 0.000 0.583 558 F N 2.231 122.278 119.950 0.162 0.000 2.654 558 F HA 0.470 4.998 4.527 0.001 0.000 0.314 558 F C -0.645 175.287 175.800 0.220 0.000 1.116 558 F CA -0.248 57.837 58.000 0.143 0.000 1.017 558 F CB 1.469 40.472 39.000 0.006 0.000 1.285 558 F HN 0.484 nan 8.300 nan 0.000 0.448 559 T N 3.546 117.714 114.554 -0.644 0.000 2.645 559 T HA 0.796 5.147 4.350 0.001 0.000 0.300 559 T C -1.401 172.654 174.700 -1.075 0.000 1.210 559 T CA 0.097 61.796 62.100 -0.669 0.000 1.034 559 T CB 0.778 69.470 68.868 -0.293 0.000 1.537 559 T HN 1.285 nan 8.240 nan 0.000 0.492 560 C N -0.128 118.824 119.300 -0.581 0.000 3.293 560 C HA 0.760 5.220 4.460 0.001 0.000 0.362 560 C C -0.955 173.874 174.990 -0.269 0.000 1.539 560 C CA -1.068 57.709 59.018 -0.402 0.000 1.201 560 C CB 0.539 28.140 27.740 -0.231 0.000 1.770 560 C HN 0.811 nan 8.230 nan 0.000 0.440 561 D N 0.139 120.467 120.400 -0.120 0.000 2.362 561 D HA 0.195 4.835 4.640 0.001 0.000 0.242 561 D C -0.700 175.641 176.300 0.068 0.000 1.132 561 D CA 0.514 54.542 54.000 0.047 0.000 0.907 561 D CB 0.778 41.645 40.800 0.113 0.000 1.195 561 D HN 0.688 nan 8.370 nan 0.000 0.429 562 W N 2.362 123.689 121.300 0.045 0.000 2.238 562 W HA 0.328 4.989 4.660 0.001 0.000 0.321 562 W C -1.109 175.419 176.519 0.014 0.000 1.293 562 W CA -0.325 57.029 57.345 0.015 0.000 1.204 562 W CB 0.532 30.050 29.460 0.096 0.000 1.167 562 W HN -0.036 nan 8.180 nan 0.000 0.553 563 V N 6.991 126.327 119.914 -0.963 0.000 2.483 563 V HA 0.540 4.660 4.120 0.001 0.000 0.297 563 V C 0.374 175.614 176.094 -1.422 0.000 1.027 563 V CA -1.278 60.455 62.300 -0.946 0.000 0.855 563 V CB 0.675 32.217 31.823 -0.468 0.000 0.995 563 V HN 0.812 nan 8.190 nan 0.000 0.424 564 A N 6.919 128.862 122.820 -1.462 0.000 2.531 564 A HA 0.510 4.830 4.320 0.001 0.000 0.236 564 A C -2.102 175.182 177.584 -0.500 0.000 1.062 564 A CA -0.620 50.837 52.037 -0.966 0.000 0.760 564 A CB -0.490 18.234 19.000 -0.460 0.000 0.995 564 A HN 0.698 nan 8.150 nan 0.000 0.501 565 P HA -0.007 nan 4.420 nan 0.000 0.264 565 P C 0.622 177.812 177.300 -0.182 0.000 1.179 565 P CA 0.219 63.104 63.100 -0.358 0.000 0.763 565 P CB 0.219 31.423 31.700 -0.827 0.000 0.806 566 I N 0.502 121.023 120.570 -0.082 0.000 2.179 566 I HA -0.180 3.990 4.170 0.001 0.000 0.242 566 I C 0.563 176.689 176.117 0.015 0.000 1.088 566 I CA 1.445 62.730 61.300 -0.026 0.000 1.357 566 I CB -0.612 37.394 38.000 0.009 0.000 1.051 566 I HN 0.277 nan 8.210 nan 0.000 0.409 567 D N 2.688 123.131 120.400 0.071 0.000 2.383 567 D HA 0.080 4.721 4.640 0.001 0.000 0.245 567 D C 0.266 176.669 176.300 0.172 0.000 1.263 567 D CA 0.010 54.077 54.000 0.111 0.000 0.936 567 D CB 0.196 41.088 40.800 0.154 0.000 1.053 567 D HN 0.283 nan 8.370 nan 0.000 0.507 568 K N 1.884 122.349 120.400 0.108 0.000 2.120 568 K HA 0.379 4.699 4.320 0.001 0.000 0.245 568 K C -0.431 176.264 176.600 0.159 0.000 1.024 568 K CA -0.646 55.721 56.287 0.133 0.000 0.906 568 K CB 0.938 33.485 32.500 0.078 0.000 1.051 568 K HN 0.220 nan 8.250 nan 0.000 0.491 569 L N 0.960 122.285 121.223 0.170 0.000 2.399 569 L HA 0.413 4.753 4.340 0.001 0.000 0.265 569 L C 0.186 177.137 176.870 0.135 0.000 1.089 569 L CA -0.634 54.300 54.840 0.157 0.000 0.802 569 L CB 1.694 43.841 42.059 0.147 0.000 1.180 569 L HN 1.039 nan 8.230 nan 0.000 0.454 570 T N -4.225 110.417 114.554 0.147 0.000 2.812 570 T HA 0.224 4.574 4.350 0.001 0.000 0.294 570 T C 0.172 174.920 174.700 0.079 0.000 1.159 570 T CA -0.585 61.586 62.100 0.118 0.000 1.008 570 T CB 1.494 70.457 68.868 0.160 0.000 1.289 570 T HN 0.624 nan 8.240 nan 0.000 0.514 571 D N -0.089 120.336 120.400 0.042 0.000 2.224 571 D HA -0.094 4.546 4.640 0.001 0.000 0.205 571 D C 1.429 177.703 176.300 -0.044 0.000 0.965 571 D CA 0.911 54.914 54.000 0.005 0.000 0.852 571 D CB -0.180 40.619 40.800 -0.002 0.000 0.947 571 D HN 0.641 nan 8.370 nan 0.000 0.494 572 E N -0.509 119.651 120.200 -0.065 0.000 2.152 572 E HA -0.096 4.255 4.350 0.001 0.000 0.192 572 E C -0.241 176.055 176.600 -0.506 0.000 0.983 572 E CA 0.690 56.932 56.400 -0.263 0.000 0.818 572 E CB -0.067 29.503 29.700 -0.217 0.000 0.758 572 E HN 0.380 nan 8.360 nan 0.000 0.467 573 Y N -0.279 120.036 120.300 0.024 0.000 2.662 573 Y HA 0.307 4.858 4.550 0.001 0.000 0.358 573 Y C -2.019 173.897 175.900 0.027 0.000 1.041 573 Y CA -2.009 56.110 58.100 0.032 0.000 1.184 573 Y CB 1.874 40.356 38.460 0.037 0.000 1.114 573 Y HN 0.085 nan 8.280 nan 0.000 0.650 574 P HA 0.068 nan 4.420 nan 0.000 0.257 574 P C -0.068 177.265 177.300 0.056 0.000 1.281 574 P CA 0.705 63.849 63.100 0.074 0.000 0.826 574 P CB 0.557 32.280 31.700 0.039 0.000 1.237 575 M N -0.030 119.602 119.600 0.053 0.000 2.528 575 M HA 0.298 4.778 4.480 0.001 0.000 0.321 575 M C -0.366 175.886 176.300 -0.079 0.000 1.153 575 M CA -1.006 54.291 55.300 -0.004 0.000 0.951 575 M CB 2.796 35.399 32.600 0.005 0.000 1.705 575 M HN -0.381 nan 8.290 nan 0.000 0.451 576 V N 3.612 123.414 119.914 -0.188 0.000 2.530 576 V HA 0.270 4.391 4.120 0.001 0.000 0.282 576 V C -0.184 175.702 176.094 -0.347 0.000 1.048 576 V CA -0.700 61.354 62.300 -0.409 0.000 0.997 576 V CB 1.175 32.646 31.823 -0.587 0.000 0.987 576 V HN 0.702 nan 8.190 nan 0.000 0.477 577 L N 4.745 125.779 121.223 -0.314 0.000 2.307 577 L HA 0.791 5.131 4.340 0.001 0.000 0.282 577 L C -0.021 176.679 176.870 -0.284 0.000 1.051 577 L CA 0.886 55.577 54.840 -0.249 0.000 0.804 577 L CB 1.773 43.770 42.059 -0.104 0.000 1.197 577 L HN 0.727 nan 8.230 nan 0.000 0.431 578 S N 1.483 116.994 115.700 -0.316 0.000 2.588 578 S HA 0.807 5.277 4.470 0.001 0.000 0.275 578 S C -0.812 173.798 174.600 0.017 0.000 1.130 578 S CA -0.172 57.939 58.200 -0.148 0.000 0.855 578 S CB 1.459 64.547 63.200 -0.187 0.000 1.116 578 S HN 0.911 nan 8.310 nan 0.000 0.472 579 T N -0.039 114.593 114.554 0.131 0.000 2.929 579 T HA 0.846 5.197 4.350 0.001 0.000 0.284 579 T C -0.719 174.140 174.700 0.267 0.000 1.014 579 T CA -0.681 61.533 62.100 0.190 0.000 1.051 579 T CB 1.403 70.332 68.868 0.102 0.000 1.028 579 T HN 0.506 nan 8.240 nan 0.000 0.485 580 V N 1.532 121.595 119.914 0.249 0.000 2.969 580 V HA 0.503 4.624 4.120 0.001 0.000 0.304 580 V C -0.920 175.265 176.094 0.152 0.000 1.192 580 V CA -1.107 61.319 62.300 0.210 0.000 0.962 580 V CB 2.476 34.427 31.823 0.214 0.000 1.045 580 V HN 0.848 nan 8.190 nan 0.000 0.428 581 R N 2.748 123.309 120.500 0.101 0.000 2.560 581 R HA 0.549 4.890 4.340 0.001 0.000 0.270 581 R C -0.170 176.156 176.300 0.043 0.000 1.074 581 R CA -0.393 55.736 56.100 0.048 0.000 1.140 581 R CB 0.812 31.115 30.300 0.005 0.000 1.073 581 R HN 0.764 nan 8.270 nan 0.000 0.527 582 E N 1.253 121.474 120.200 0.035 0.000 2.272 582 E HA 0.086 4.436 4.350 0.001 0.000 0.269 582 E C 0.240 176.850 176.600 0.015 0.000 0.877 582 E CA -0.457 55.967 56.400 0.040 0.000 0.755 582 E CB 2.528 32.287 29.700 0.098 0.000 1.192 582 E HN 0.210 nan 8.360 nan 0.000 0.422 583 V N 4.367 124.279 119.914 -0.002 0.000 2.380 583 V HA -0.185 3.936 4.120 0.001 0.000 0.251 583 V C 1.608 177.678 176.094 -0.039 0.000 1.063 583 V CA 2.916 65.204 62.300 -0.020 0.000 1.055 583 V CB -0.311 31.498 31.823 -0.023 0.000 0.657 583 V HN 0.779 nan 8.190 nan 0.000 0.455 584 G N -1.889 106.897 108.800 -0.024 0.000 2.572 584 G HA2 -0.006 3.954 3.960 0.001 0.000 0.216 584 G HA3 -0.006 3.954 3.960 0.001 0.000 0.216 584 G C 0.722 175.478 174.900 -0.239 0.000 1.133 584 G CA 0.140 45.187 45.100 -0.088 0.000 0.791 584 G HN 0.601 nan 8.290 nan 0.000 0.538 585 H N -2.146 116.863 119.070 -0.102 0.000 2.821 585 H HA 0.411 4.967 4.556 0.001 0.000 0.373 585 H C -1.650 173.589 175.328 -0.148 0.000 1.165 585 H CA -0.841 55.104 56.048 -0.173 0.000 1.154 585 H CB 2.213 31.820 29.762 -0.258 0.000 1.765 585 H HN 0.068 nan 8.280 nan 0.000 0.549 586 Y N 0.184 120.395 120.300 -0.148 0.000 2.496 586 Y HA 0.079 4.629 4.550 0.001 0.000 0.331 586 Y C 1.480 177.314 175.900 -0.109 0.000 1.140 586 Y CA 0.073 58.110 58.100 -0.105 0.000 1.166 586 Y CB 1.643 40.094 38.460 -0.015 0.000 1.249 586 Y HN 0.595 nan 8.280 nan 0.000 0.479 587 S N 1.430 116.816 115.700 -0.524 0.000 2.378 587 S HA -0.304 4.166 4.470 0.001 0.000 0.221 587 S C 2.159 176.706 174.600 -0.088 0.000 1.037 587 S CA 2.097 60.114 58.200 -0.305 0.000 1.069 587 S CB -0.806 62.194 63.200 -0.333 0.000 1.006 587 S HN 0.942 nan 8.310 nan 0.000 0.423 588 C N 0.895 120.228 119.300 0.054 0.000 2.403 588 C HA 0.095 4.556 4.460 0.001 0.000 0.277 588 C C 1.765 176.807 174.990 0.086 0.000 1.248 588 C CA 0.801 59.914 59.018 0.158 0.000 1.762 588 C CB -1.535 26.309 27.740 0.173 0.000 2.014 588 C HN 0.691 nan 8.230 nan 0.000 0.486 589 R N 0.331 120.775 120.500 -0.093 0.000 3.922 589 R HA -0.253 4.088 4.340 0.001 0.000 0.447 589 R C 1.554 177.591 176.300 -0.439 0.000 1.035 589 R CA 1.278 57.174 56.100 -0.339 0.000 1.289 589 R CB -2.060 27.805 30.300 -0.725 0.000 1.906 589 R HN 0.873 nan 8.270 nan 0.000 0.540 590 S N -0.781 114.732 115.700 -0.312 0.000 2.423 590 S HA -0.093 4.378 4.470 0.001 0.000 0.231 590 S C 1.773 175.931 174.600 -0.736 0.000 1.014 590 S CA 1.344 59.228 58.200 -0.527 0.000 0.965 590 S CB -0.044 62.979 63.200 -0.294 0.000 0.785 590 S HN 0.400 nan 8.310 nan 0.000 0.495 591 M N 1.659 121.010 119.600 -0.416 0.000 2.257 591 M HA 0.015 4.495 4.480 0.001 0.000 0.260 591 M C 2.800 179.040 176.300 -0.099 0.000 1.102 591 M CA 1.629 56.683 55.300 -0.409 0.000 1.169 591 M CB -0.801 31.453 32.600 -0.577 0.000 1.323 591 M HN 0.564 nan 8.290 nan 0.000 0.447 592 T N -1.694 112.841 114.554 -0.032 0.000 2.821 592 T HA -0.031 4.319 4.350 0.001 0.000 0.267 592 T C 1.847 176.530 174.700 -0.028 0.000 1.046 592 T CA 1.346 63.391 62.100 -0.092 0.000 1.139 592 T CB -1.147 67.582 68.868 -0.232 0.000 0.871 592 T HN 0.492 nan 8.240 nan 0.000 0.454 593 G N 1.109 109.884 108.800 -0.042 0.000 2.534 593 G HA2 -0.070 3.891 3.960 0.001 0.000 0.217 593 G HA3 -0.070 3.891 3.960 0.001 0.000 0.217 593 G C 1.420 176.260 174.900 -0.101 0.000 1.128 593 G CA 0.053 45.103 45.100 -0.082 0.000 0.784 593 G HN 0.472 nan 8.290 nan 0.000 0.542 594 N N -0.211 118.425 118.700 -0.106 0.000 2.276 594 N HA 0.096 4.836 4.740 0.001 0.000 0.212 594 N C -0.583 174.976 175.510 0.082 0.000 1.127 594 N CA -0.041 53.002 53.050 -0.011 0.000 0.834 594 N CB 0.350 38.819 38.487 -0.029 0.000 1.014 594 N HN 0.058 nan 8.380 nan 0.000 0.491 595 C N 0.638 119.958 119.300 0.034 0.000 2.281 595 C HA 0.497 4.958 4.460 0.001 0.000 0.325 595 C C 2.004 176.954 174.990 -0.066 0.000 1.282 595 C CA -1.050 57.957 59.018 -0.018 0.000 1.640 595 C CB 0.419 28.142 27.740 -0.028 0.000 2.288 595 C HN 0.396 nan 8.230 nan 0.000 0.507 596 A N 3.043 125.813 122.820 -0.083 0.000 1.948 596 A HA -0.087 4.233 4.320 0.001 0.000 0.220 596 A C 2.204 179.721 177.584 -0.111 0.000 1.177 596 A CA 2.430 54.424 52.037 -0.073 0.000 0.636 596 A CB -0.454 18.508 19.000 -0.064 0.000 0.815 596 A HN 1.060 nan 8.150 nan 0.000 0.449 597 A N -0.697 122.013 122.820 -0.183 0.000 1.903 597 A HA 0.186 4.507 4.320 0.001 0.000 0.213 597 A C 2.119 179.530 177.584 -0.288 0.000 1.185 597 A CA 1.120 52.969 52.037 -0.314 0.000 0.628 597 A CB -0.434 18.195 19.000 -0.618 0.000 0.830 597 A HN 0.436 nan 8.150 nan 0.000 0.446 598 L N -0.672 120.406 121.223 -0.242 0.000 2.109 598 L HA -0.117 4.224 4.340 0.001 0.000 0.207 598 L C 3.029 179.838 176.870 -0.103 0.000 1.086 598 L CA 0.930 55.601 54.840 -0.282 0.000 0.760 598 L CB -0.578 41.222 42.059 -0.431 0.000 0.910 598 L HN 0.425 nan 8.230 nan 0.000 0.437 599 A N 0.388 123.209 122.820 0.000 0.000 1.933 599 A HA -0.137 4.183 4.320 0.001 0.000 0.218 599 A C 2.494 180.127 177.584 0.081 0.000 1.175 599 A CA 1.570 53.680 52.037 0.122 0.000 0.628 599 A CB -0.581 18.440 19.000 0.036 0.000 0.814 599 A HN 0.383 nan 8.150 nan 0.000 0.444 600 A N -0.544 122.278 122.820 0.004 0.000 2.125 600 A HA 0.067 4.387 4.320 0.001 0.000 0.219 600 A C 2.047 179.637 177.584 0.009 0.000 1.156 600 A CA 1.234 53.263 52.037 -0.014 0.000 0.671 600 A CB -0.463 18.505 19.000 -0.054 0.000 0.794 600 A HN 0.500 nan 8.150 nan 0.000 0.459 601 L N -1.228 120.025 121.223 0.050 0.000 2.068 601 L HA 0.089 4.430 4.340 0.001 0.000 0.204 601 L C 1.451 178.405 176.870 0.139 0.000 1.076 601 L CA 0.717 55.599 54.840 0.070 0.000 0.753 601 L CB -0.388 41.696 42.059 0.043 0.000 0.910 601 L HN 0.372 nan 8.230 nan 0.000 0.439 602 A N -0.074 122.893 122.820 0.246 0.000 2.271 602 A HA 0.367 4.687 4.320 0.001 0.000 0.317 602 A C -0.956 176.659 177.584 0.051 0.000 1.245 602 A CA -0.589 51.602 52.037 0.257 0.000 0.857 602 A CB 0.482 19.773 19.000 0.485 0.000 1.175 602 A HN 0.044 nan 8.150 nan 0.000 0.512 603 D N 1.084 121.402 120.400 -0.137 0.000 2.358 603 D HA 0.304 4.944 4.640 0.001 0.000 0.244 603 D C 0.099 175.932 176.300 -0.778 0.000 1.163 603 D CA 0.324 54.108 54.000 -0.360 0.000 0.945 603 D CB 0.694 41.305 40.800 -0.316 0.000 1.152 603 D HN 0.487 nan 8.370 nan 0.000 0.451 604 E N 0.751 120.551 120.200 -0.667 0.000 2.214 604 E HA 0.208 4.559 4.350 0.001 0.000 0.274 604 E C -1.672 174.572 176.600 -0.594 0.000 0.977 604 E CA -1.582 54.384 56.400 -0.723 0.000 0.827 604 E CB 1.569 30.953 29.700 -0.527 0.000 1.130 604 E HN 0.259 nan 8.360 nan 0.000 0.394 605 P HA 0.095 nan 4.420 nan 0.000 0.249 605 P C 0.333 177.095 177.300 -0.896 0.000 1.229 605 P CA 0.415 63.182 63.100 -0.556 0.000 0.788 605 P CB 0.577 32.044 31.700 -0.389 0.000 1.072 606 G N -0.577 107.445 108.800 -1.296 0.000 2.498 606 G HA2 -0.101 3.859 3.960 0.001 0.000 0.651 606 G HA3 -0.101 3.859 3.960 0.001 0.000 0.651 606 G C -1.816 172.582 174.900 -0.837 0.000 1.284 606 G CA -1.006 43.145 45.100 -1.583 0.000 0.950 606 G HN 0.085 nan 8.290 nan 0.000 0.511 607 Y N -0.094 119.976 120.300 -0.383 0.000 2.468 607 Y HA 0.674 5.224 4.550 0.001 0.000 0.342 607 Y C 0.673 176.539 175.900 -0.057 0.000 1.021 607 Y CA 0.102 58.097 58.100 -0.176 0.000 1.079 607 Y CB 2.526 40.924 38.460 -0.104 0.000 1.226 607 Y HN 1.146 nan 8.280 nan 0.000 0.460 608 A N 3.015 125.929 122.820 0.158 0.000 2.311 608 A HA 0.462 4.782 4.320 0.001 0.000 0.306 608 A C -1.200 176.474 177.584 0.150 0.000 1.189 608 A CA -0.837 51.280 52.037 0.134 0.000 0.791 608 A CB 0.585 19.625 19.000 0.067 0.000 1.172 608 A HN 0.805 nan 8.150 nan 0.000 0.481 609 Q N 1.715 121.615 119.800 0.166 0.000 2.286 609 Q HA 0.420 4.761 4.340 0.001 0.000 0.267 609 Q C -0.749 175.339 176.000 0.146 0.000 1.028 609 Q CA 0.696 56.583 55.803 0.139 0.000 0.901 609 Q CB 0.839 29.663 28.738 0.142 0.000 1.183 609 Q HN 0.687 nan 8.270 nan 0.000 0.392 610 I N 1.790 122.419 120.570 0.098 0.000 2.509 610 I HA 0.224 4.395 4.170 0.001 0.000 0.293 610 I C 0.151 176.308 176.117 0.067 0.000 1.020 610 I CA -0.959 60.391 61.300 0.083 0.000 1.088 610 I CB 1.655 39.690 38.000 0.058 0.000 1.267 610 I HN 0.594 nan 8.210 nan 0.000 0.430 611 N N 3.480 122.223 118.700 0.071 0.000 2.412 611 N HA -0.019 4.721 4.740 0.001 0.000 0.254 611 N C 0.890 176.421 175.510 0.035 0.000 1.232 611 N CA 0.357 53.439 53.050 0.052 0.000 0.880 611 N CB 1.144 39.664 38.487 0.056 0.000 1.076 611 N HN 0.642 nan 8.380 nan 0.000 0.458 612 T N 3.716 118.285 114.554 0.024 0.000 2.620 612 T HA -0.227 4.124 4.350 0.001 0.000 0.267 612 T C 1.361 176.072 174.700 0.017 0.000 1.044 612 T CA 1.690 63.800 62.100 0.017 0.000 1.161 612 T CB -0.167 68.707 68.868 0.010 0.000 0.862 612 T HN 0.638 nan 8.240 nan 0.000 0.438 613 E N 0.663 120.874 120.200 0.018 0.000 2.077 613 E HA -0.148 4.202 4.350 0.001 0.000 0.193 613 E C 2.183 178.794 176.600 0.019 0.000 0.989 613 E CA 1.129 57.539 56.400 0.017 0.000 0.800 613 E CB -0.180 29.530 29.700 0.016 0.000 0.746 613 E HN 0.444 nan 8.360 nan 0.000 0.452 614 D N 0.688 121.102 120.400 0.025 0.000 2.104 614 D HA -0.156 4.485 4.640 0.001 0.000 0.194 614 D C 1.924 178.239 176.300 0.024 0.000 0.994 614 D CA 1.440 55.456 54.000 0.026 0.000 0.830 614 D CB -0.323 40.496 40.800 0.033 0.000 0.959 614 D HN 0.165 nan 8.370 nan 0.000 0.452 615 A N 0.861 123.696 122.820 0.025 0.000 1.877 615 A HA -0.222 4.098 4.320 0.001 0.000 0.216 615 A C 2.115 179.710 177.584 0.017 0.000 1.186 615 A CA 1.850 53.901 52.037 0.022 0.000 0.620 615 A CB -0.457 18.556 19.000 0.022 0.000 0.822 615 A HN 0.105 nan 8.150 nan 0.000 0.443 616 K N -0.531 119.878 120.400 0.015 0.000 2.015 616 K HA -0.173 4.147 4.320 0.001 0.000 0.216 616 K C 2.319 178.926 176.600 0.012 0.000 1.052 616 K CA 2.059 58.352 56.287 0.011 0.000 0.937 616 K CB -0.249 32.257 32.500 0.010 0.000 0.719 616 K HN 0.402 nan 8.250 nan 0.000 0.446 617 R N 0.167 120.675 120.500 0.013 0.000 2.091 617 R HA -0.087 4.253 4.340 0.001 0.000 0.238 617 R C 2.011 178.319 176.300 0.014 0.000 1.136 617 R CA 1.340 57.447 56.100 0.012 0.000 0.959 617 R CB -0.227 30.081 30.300 0.013 0.000 0.856 617 R HN 0.207 nan 8.270 nan 0.000 0.437 618 L N -0.670 120.563 121.223 0.018 0.000 2.558 618 L HA 0.154 4.494 4.340 0.001 0.000 0.225 618 L C 0.907 177.790 176.870 0.021 0.000 1.128 618 L CA 0.406 55.259 54.840 0.022 0.000 0.868 618 L CB 0.051 42.127 42.059 0.029 0.000 1.006 618 L HN 0.459 nan 8.230 nan 0.000 0.454 619 G N 1.770 110.580 108.800 0.016 0.000 2.272 619 G HA2 -0.280 3.680 3.960 0.001 0.000 0.280 619 G HA3 -0.280 3.680 3.960 0.001 0.000 0.280 619 G C -0.082 174.827 174.900 0.014 0.000 1.067 619 G CA -0.092 45.017 45.100 0.014 0.000 0.902 619 G HN 0.321 nan 8.290 nan 0.000 0.500 620 I N 0.655 121.234 120.570 0.014 0.000 2.339 620 I HA 0.327 4.497 4.170 0.001 0.000 0.290 620 I C 0.018 176.140 176.117 0.008 0.000 0.994 620 I CA -0.884 60.423 61.300 0.011 0.000 1.191 620 I CB 1.180 39.190 38.000 0.016 0.000 1.343 620 I HN 0.033 nan 8.210 nan 0.000 0.458 621 E N 4.076 124.278 120.200 0.002 0.000 2.283 621 E HA 0.201 4.551 4.350 0.001 0.000 0.267 621 E C -0.852 175.752 176.600 0.006 0.000 1.045 621 E CA -0.757 55.644 56.400 0.002 0.000 0.884 621 E CB 1.233 30.932 29.700 -0.002 0.000 1.106 621 E HN 0.401 nan 8.360 nan 0.000 0.408 622 D N 1.293 121.700 120.400 0.011 0.000 2.424 622 D HA -0.024 4.617 4.640 0.001 0.000 0.244 622 D C 0.272 176.591 176.300 0.031 0.000 1.134 622 D CA 0.551 54.566 54.000 0.026 0.000 0.881 622 D CB 0.440 41.250 40.800 0.016 0.000 1.191 622 D HN 0.330 nan 8.370 nan 0.000 0.445 623 E N -0.349 119.895 120.200 0.073 0.000 4.086 623 E HA -0.225 4.125 4.350 0.001 0.000 0.363 623 E C -0.212 176.365 176.600 -0.038 0.000 0.616 623 E CA 1.184 57.619 56.400 0.058 0.000 1.293 623 E CB -2.010 27.712 29.700 0.038 0.000 1.747 623 E HN 0.517 nan 8.360 nan 0.000 0.405 624 A N 1.757 124.555 122.820 -0.038 0.000 2.401 624 A HA 0.503 4.823 4.320 0.001 0.000 0.259 624 A C 0.784 178.297 177.584 -0.117 0.000 1.103 624 A CA -0.246 51.749 52.037 -0.070 0.000 0.789 624 A CB 0.282 19.256 19.000 -0.043 0.000 1.035 624 A HN 0.158 nan 8.150 nan 0.000 0.491 625 L N 1.847 122.974 121.223 -0.160 0.000 2.473 625 L HA 0.395 4.736 4.340 0.001 0.000 0.268 625 L C 0.096 176.835 176.870 -0.219 0.000 1.215 625 L CA 0.074 54.773 54.840 -0.235 0.000 0.823 625 L CB 0.642 42.535 42.059 -0.277 0.000 1.099 625 L HN 0.486 nan 8.230 nan 0.000 0.483 626 V N 0.303 120.043 119.914 -0.289 0.000 3.120 626 V HA 0.367 4.488 4.120 0.001 0.000 0.303 626 V C -1.614 174.296 176.094 -0.306 0.000 1.238 626 V CA -0.592 61.586 62.300 -0.203 0.000 1.008 626 V CB 2.475 34.243 31.823 -0.092 0.000 1.064 626 V HN 0.625 nan 8.190 nan 0.000 0.434 627 W N 2.693 123.923 121.300 -0.116 0.000 2.496 627 W HA 0.720 5.380 4.660 0.001 0.000 0.327 627 W C -0.519 175.826 176.519 -0.289 0.000 1.086 627 W CA -0.674 56.534 57.345 -0.229 0.000 1.222 627 W CB 1.865 31.135 29.460 -0.317 0.000 1.304 627 W HN 0.325 nan 8.180 nan 0.000 0.547 628 V N 3.290 123.203 119.914 -0.001 0.000 2.378 628 V HA 0.219 4.339 4.120 0.001 0.000 0.288 628 V C -0.773 175.292 176.094 -0.048 0.000 1.016 628 V CA -1.022 61.269 62.300 -0.015 0.000 0.840 628 V CB 0.683 32.541 31.823 0.058 0.000 0.994 628 V HN 0.461 nan 8.190 nan 0.000 0.431 629 H N 2.428 121.615 119.070 0.194 0.000 2.556 629 H HA 0.582 5.138 4.556 0.001 0.000 0.310 629 H C 0.580 176.102 175.328 0.323 0.000 1.057 629 H CA 0.056 56.232 56.048 0.214 0.000 1.264 629 H CB 1.574 31.428 29.762 0.154 0.000 1.404 629 H HN 0.777 nan 8.280 nan 0.000 0.462 630 S N 3.445 119.337 115.700 0.319 0.000 3.124 630 S HA 0.540 5.010 4.470 0.001 0.000 0.234 630 S C -0.057 174.539 174.600 -0.007 0.000 1.045 630 S CA -1.004 57.259 58.200 0.104 0.000 1.200 630 S CB 1.150 64.368 63.200 0.030 0.000 1.186 630 S HN 0.402 nan 8.310 nan 0.000 0.617 631 R N 0.936 121.361 120.500 -0.124 0.000 2.562 631 R HA 0.440 4.780 4.340 0.001 0.000 0.298 631 R C -0.825 175.471 176.300 -0.007 0.000 0.961 631 R CA -0.668 55.386 56.100 -0.077 0.000 0.881 631 R CB 0.926 31.129 30.300 -0.160 0.000 1.159 631 R HN 0.687 nan 8.270 nan 0.000 0.450 632 K N 0.494 120.907 120.400 0.022 0.000 3.730 632 K HA -0.198 4.123 4.320 0.001 0.000 0.276 632 K C -0.039 176.589 176.600 0.046 0.000 0.904 632 K CA 1.274 57.579 56.287 0.030 0.000 0.741 632 K CB -1.431 31.081 32.500 0.020 0.000 1.542 632 K HN 1.077 nan 8.250 nan 0.000 0.446 633 G N -0.049 108.793 108.800 0.069 0.000 2.380 633 G HA2 0.413 4.373 3.960 0.001 0.000 0.305 633 G HA3 0.413 4.373 3.960 0.001 0.000 0.305 633 G C -1.665 173.314 174.900 0.131 0.000 1.672 633 G CA -0.611 44.545 45.100 0.094 0.000 0.904 633 G HN 0.185 nan 8.290 nan 0.000 0.686 634 K N 0.891 121.371 120.400 0.134 0.000 2.557 634 K HA 0.727 5.047 4.320 0.001 0.000 0.257 634 K C -2.063 174.673 176.600 0.227 0.000 0.933 634 K CA -0.868 55.506 56.287 0.146 0.000 0.820 634 K CB 2.348 34.896 32.500 0.080 0.000 1.330 634 K HN 0.480 nan 8.250 nan 0.000 0.432 635 I N 3.883 124.623 120.570 0.285 0.000 2.802 635 I HA 0.455 4.625 4.170 0.001 0.000 0.298 635 I C -1.175 175.070 176.117 0.213 0.000 1.176 635 I CA -0.900 60.572 61.300 0.288 0.000 1.025 635 I CB 2.044 40.135 38.000 0.152 0.000 1.243 635 I HN 0.722 nan 8.210 nan 0.000 0.424 636 I N 5.256 125.780 120.570 -0.076 0.000 2.353 636 I HA 0.577 4.747 4.170 0.001 0.000 0.293 636 I C -0.564 175.354 176.117 -0.332 0.000 0.992 636 I CA 0.315 61.285 61.300 -0.551 0.000 1.268 636 I CB 0.999 38.438 38.000 -0.935 0.000 1.387 636 I HN 0.651 nan 8.210 nan 0.000 0.478 637 T N 6.324 120.674 114.554 -0.339 0.000 2.792 637 T HA 0.380 4.730 4.350 0.001 0.000 0.303 637 T C -1.121 173.393 174.700 -0.311 0.000 1.310 637 T CA -0.689 61.233 62.100 -0.296 0.000 1.007 637 T CB 1.527 70.288 68.868 -0.179 0.000 1.335 637 T HN 0.673 nan 8.240 nan 0.000 0.504 638 R N 1.173 121.447 120.500 -0.377 0.000 2.368 638 R HA 0.738 5.078 4.340 0.001 0.000 0.302 638 R C -0.382 175.837 176.300 -0.136 0.000 1.002 638 R CA -0.531 55.336 56.100 -0.388 0.000 0.929 638 R CB 1.003 30.815 30.300 -0.814 0.000 1.073 638 R HN 0.706 nan 8.270 nan 0.000 0.464 639 A N 3.801 126.600 122.820 -0.036 0.000 2.404 639 A HA 0.081 4.401 4.320 0.001 0.000 0.273 639 A C -0.312 177.391 177.584 0.199 0.000 1.144 639 A CA -0.148 51.931 52.037 0.070 0.000 0.806 639 A CB 0.476 19.491 19.000 0.025 0.000 1.080 639 A HN 0.776 nan 8.150 nan 0.000 0.509 640 Q N 3.664 123.589 119.800 0.209 0.000 2.636 640 Q HA 0.394 4.735 4.340 0.001 0.000 0.233 640 Q C -1.271 174.745 176.000 0.028 0.000 1.143 640 Q CA -0.373 55.474 55.803 0.074 0.000 0.969 640 Q CB 0.530 29.219 28.738 -0.082 0.000 1.185 640 Q HN 0.542 nan 8.270 nan 0.000 0.546 641 V N 3.583 123.512 119.914 0.025 0.000 2.439 641 V HA 0.197 4.318 4.120 0.001 0.000 0.271 641 V C 0.167 176.259 176.094 -0.003 0.000 1.040 641 V CA 0.216 62.526 62.300 0.017 0.000 1.002 641 V CB 0.294 32.127 31.823 0.017 0.000 1.000 641 V HN 0.803 nan 8.190 nan 0.000 0.477 642 S N 2.505 118.205 115.700 -0.000 0.000 2.685 642 S HA 0.504 4.974 4.470 0.001 0.000 0.282 642 S C -0.086 174.513 174.600 -0.002 0.000 1.159 642 S CA -0.861 57.331 58.200 -0.013 0.000 0.833 642 S CB 2.065 65.246 63.200 -0.033 0.000 1.151 642 S HN 0.478 nan 8.310 nan 0.000 0.485 643 D N -0.214 120.181 120.400 -0.010 0.000 2.339 643 D HA 0.202 4.843 4.640 0.001 0.000 0.217 643 D C 1.591 177.887 176.300 -0.008 0.000 1.050 643 D CA 0.108 54.106 54.000 -0.002 0.000 0.856 643 D CB 0.027 40.825 40.800 -0.004 0.000 0.922 643 D HN 0.375 nan 8.370 nan 0.000 0.518 644 R N 0.663 121.147 120.500 -0.027 0.000 2.062 644 R HA -0.018 4.322 4.340 0.001 0.000 0.231 644 R C -1.481 174.778 176.300 -0.067 0.000 1.136 644 R CA 0.727 56.793 56.100 -0.057 0.000 0.948 644 R CB -1.300 28.947 30.300 -0.087 0.000 0.845 644 R HN 0.240 nan 8.270 nan 0.000 0.430 645 P HA -0.008 nan 4.420 nan 0.000 0.271 645 P C -1.047 176.301 177.300 0.081 0.000 1.216 645 P CA 0.063 63.173 63.100 0.016 0.000 0.776 645 P CB 0.256 32.065 31.700 0.180 0.000 0.881 646 N N 2.263 121.039 118.700 0.126 0.000 2.492 646 N HA 0.007 4.747 4.740 0.001 0.000 0.260 646 N C 0.116 175.692 175.510 0.110 0.000 1.215 646 N CA -0.120 52.995 53.050 0.108 0.000 0.923 646 N CB 0.664 39.215 38.487 0.107 0.000 1.092 646 N HN 0.391 nan 8.380 nan 0.000 0.448 647 K N 0.391 120.831 120.400 0.067 0.000 2.484 647 K HA 0.100 4.421 4.320 0.001 0.000 0.280 647 K C 0.872 177.502 176.600 0.050 0.000 1.013 647 K CA 1.038 57.356 56.287 0.052 0.000 1.029 647 K CB -0.295 32.226 32.500 0.035 0.000 0.902 647 K HN 0.864 nan 8.250 nan 0.000 0.481 648 G N 1.688 110.512 108.800 0.040 0.000 2.195 648 G HA2 -0.204 3.757 3.960 0.001 0.000 0.224 648 G HA3 -0.204 3.757 3.960 0.001 0.000 0.224 648 G C -0.244 174.650 174.900 -0.010 0.000 0.990 648 G CA 0.026 45.141 45.100 0.024 0.000 0.639 648 G HN 0.941 nan 8.290 nan 0.000 0.514 649 A N -0.066 122.753 122.820 -0.001 0.000 2.414 649 A HA 0.883 5.204 4.320 0.001 0.000 0.306 649 A C -0.295 177.232 177.584 -0.096 0.000 1.054 649 A CA -0.254 51.712 52.037 -0.119 0.000 0.724 649 A CB 1.262 20.173 19.000 -0.148 0.000 1.267 649 A HN 1.695 nan 8.150 nan 0.000 0.418 650 I N -1.588 118.841 120.570 -0.234 0.000 2.603 650 I HA 0.808 4.978 4.170 0.001 0.000 0.300 650 I C -1.759 174.184 176.117 -0.291 0.000 1.017 650 I CA -0.912 60.328 61.300 -0.100 0.000 1.098 650 I CB 1.843 39.835 38.000 -0.013 0.000 1.279 650 I HN 0.539 nan 8.210 nan 0.000 0.437 651 Y N 5.415 125.744 120.300 0.049 0.000 2.376 651 Y HA 0.543 5.093 4.550 0.001 0.000 0.326 651 Y C -0.107 175.855 175.900 0.104 0.000 0.970 651 Y CA -0.689 57.453 58.100 0.069 0.000 1.248 651 Y CB 1.744 40.238 38.460 0.057 0.000 1.117 651 Y HN 0.426 nan 8.280 nan 0.000 0.476 652 M N 2.617 122.357 119.600 0.233 0.000 2.233 652 M HA 0.240 4.720 4.480 0.001 0.000 0.355 652 M C 0.025 176.508 176.300 0.306 0.000 1.191 652 M CA -0.271 55.184 55.300 0.257 0.000 1.101 652 M CB 1.134 33.913 32.600 0.299 0.000 1.592 652 M HN 0.578 nan 8.290 nan 0.000 0.461 653 T N 2.839 117.575 114.554 0.304 0.000 4.309 653 T HA 0.037 4.387 4.350 0.001 0.000 0.242 653 T C 0.496 175.442 174.700 0.411 0.000 1.142 653 T CA -0.017 62.283 62.100 0.334 0.000 1.042 653 T CB -1.050 68.037 68.868 0.366 0.000 1.366 653 T HN 0.441 nan 8.240 nan 0.000 0.942 654 Y N 1.872 122.294 120.300 0.204 0.000 2.663 654 Y HA -0.067 4.484 4.550 0.001 0.000 0.342 654 Y C 1.792 177.755 175.900 0.106 0.000 1.224 654 Y CA 0.410 58.616 58.100 0.176 0.000 1.268 654 Y CB -0.541 37.976 38.460 0.095 0.000 1.070 654 Y HN 0.498 nan 8.280 nan 0.000 0.491 655 Q N -1.338 118.491 119.800 0.048 0.000 2.466 655 Q HA -0.056 4.284 4.340 0.001 0.000 0.210 655 Q C -0.602 175.184 176.000 -0.357 0.000 0.961 655 Q CA 0.246 55.915 55.803 -0.224 0.000 0.953 655 Q CB 0.095 28.569 28.738 -0.439 0.000 1.011 655 Q HN 0.443 nan 8.270 nan 0.000 0.516 656 W N -0.600 120.677 121.300 -0.039 0.000 2.509 656 W HA 0.403 5.063 4.660 0.001 0.000 0.351 656 W C -0.187 176.435 176.519 0.171 0.000 1.107 656 W CA -0.924 56.411 57.345 -0.018 0.000 1.264 656 W CB 0.689 30.064 29.460 -0.141 0.000 1.312 656 W HN 0.007 nan 8.180 nan 0.000 0.608 677 E N 0.591 120.800 120.200 0.015 0.000 1.964 677 E HA 0.110 4.461 4.350 0.001 0.000 0.264 677 E C 0.152 176.883 176.600 0.217 0.000 1.120 677 E CA -0.351 56.124 56.400 0.126 0.000 1.061 677 E CB 0.250 30.065 29.700 0.192 0.000 1.190 677 E HN 0.212 nan 8.360 nan 0.000 0.459 678 Y N 0.929 121.286 120.300 0.095 0.000 2.403 678 Y HA -0.127 4.423 4.550 0.001 0.000 0.291 678 Y C 1.631 177.570 175.900 0.066 0.000 1.143 678 Y CA 0.654 58.778 58.100 0.039 0.000 1.257 678 Y CB -0.058 38.416 38.460 0.023 0.000 0.984 678 Y HN 0.174 nan 8.280 nan 0.000 0.550 679 K N -1.733 118.866 120.400 0.330 0.000 2.358 679 K HA 0.072 4.392 4.320 0.001 0.000 0.200 679 K C -0.800 175.962 176.600 0.269 0.000 1.030 679 K CA 0.048 56.528 56.287 0.322 0.000 1.097 679 K CB 0.526 33.355 32.500 0.548 0.000 0.862 679 K HN 0.096 nan 8.250 nan 0.000 0.534 680 Y N 0.428 120.804 120.300 0.127 0.000 2.396 680 Y HA 0.298 4.848 4.550 0.001 0.000 0.332 680 Y C -1.520 174.409 175.900 0.049 0.000 1.034 680 Y CA -1.393 56.749 58.100 0.069 0.000 1.057 680 Y CB 1.626 40.140 38.460 0.090 0.000 1.220 680 Y HN 0.052 nan 8.280 nan 0.000 0.440 681 C N 5.649 124.859 119.300 -0.151 0.000 2.989 681 C HA 0.849 5.310 4.460 0.001 0.000 0.397 681 C C -0.930 173.972 174.990 -0.146 0.000 1.022 681 C CA -0.236 58.754 59.018 -0.047 0.000 1.232 681 C CB -0.353 27.372 27.740 -0.025 0.000 1.638 681 C HN 1.183 nan 8.230 nan 0.000 0.534 682 A N 4.834 127.620 122.820 -0.056 0.000 2.409 682 A HA 0.674 4.994 4.320 0.001 0.000 0.267 682 A C 0.165 177.755 177.584 0.010 0.000 1.127 682 A CA 0.494 52.516 52.037 -0.025 0.000 0.795 682 A CB 0.207 19.223 19.000 0.026 0.000 1.061 682 A HN 2.235 nan 8.150 nan 0.000 0.502 683 V N 0.558 120.558 119.914 0.144 0.000 3.181 683 V HA 0.883 5.004 4.120 0.001 0.000 0.308 683 V C -0.602 175.678 176.094 0.310 0.000 1.214 683 V CA -1.162 61.309 62.300 0.284 0.000 1.053 683 V CB 1.811 33.713 31.823 0.132 0.000 1.069 683 V HN 1.057 nan 8.190 nan 0.000 0.441 684 R N 0.772 121.456 120.500 0.306 0.000 2.621 684 R HA 0.841 5.182 4.340 0.001 0.000 0.292 684 R C -1.946 174.466 176.300 0.187 0.000 0.969 684 R CA -0.549 55.650 56.100 0.165 0.000 0.887 684 R CB 2.364 32.678 30.300 0.024 0.000 1.180 684 R HN 0.801 nan 8.270 nan 0.000 0.450 685 V N 3.243 123.233 119.914 0.127 0.000 2.378 685 V HA 0.366 4.487 4.120 0.001 0.000 0.288 685 V C -0.604 175.562 176.094 0.120 0.000 1.016 685 V CA -0.723 61.641 62.300 0.105 0.000 0.840 685 V CB 1.299 33.159 31.823 0.062 0.000 0.994 685 V HN 0.756 nan 8.190 nan 0.000 0.431 686 E N 7.132 127.430 120.200 0.163 0.000 2.171 686 E HA 0.543 4.893 4.350 0.001 0.000 0.271 686 E C -2.585 174.105 176.600 0.150 0.000 0.916 686 E CA -2.019 54.491 56.400 0.183 0.000 0.774 686 E CB 2.344 32.236 29.700 0.320 0.000 1.128 686 E HN 0.431 nan 8.360 nan 0.000 0.403 687 P HA 0.169 nan 4.420 nan 0.000 0.274 687 P C -0.493 176.868 177.300 0.102 0.000 1.237 687 P CA -0.077 63.064 63.100 0.068 0.000 0.793 687 P CB 0.854 32.580 31.700 0.042 0.000 0.977 688 I N 1.046 121.649 120.570 0.054 0.000 2.336 688 I HA 0.234 4.405 4.170 0.001 0.000 0.292 688 I C 1.548 177.688 176.117 0.038 0.000 0.991 688 I CA -0.663 60.680 61.300 0.071 0.000 1.227 688 I CB 1.609 39.605 38.000 -0.006 0.000 1.366 688 I HN 0.354 nan 8.210 nan 0.000 0.466 689 A N 4.346 127.196 122.820 0.050 0.000 1.855 689 A HA -0.132 4.189 4.320 0.001 0.000 0.215 689 A C 1.190 178.785 177.584 0.018 0.000 1.191 689 A CA 1.231 53.285 52.037 0.029 0.000 0.613 689 A CB -0.172 18.846 19.000 0.029 0.000 0.829 689 A HN 0.734 nan 8.150 nan 0.000 0.442 690 D N -0.068 120.347 120.400 0.025 0.000 2.522 690 D HA 0.188 4.828 4.640 0.001 0.000 0.218 690 D C 0.928 177.230 176.300 0.004 0.000 1.149 690 D CA -0.185 53.825 54.000 0.016 0.000 0.981 690 D CB 0.379 41.192 40.800 0.023 0.000 1.041 690 D HN 0.220 nan 8.370 nan 0.000 0.518 691 Q N 2.202 121.995 119.800 -0.011 0.000 2.079 691 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 691 Q C 1.786 177.769 176.000 -0.028 0.000 0.974 691 Q CA 0.972 56.756 55.803 -0.033 0.000 0.840 691 Q CB 0.030 28.746 28.738 -0.038 0.000 0.898 691 Q HN 0.531 nan 8.270 nan 0.000 0.430 692 R N 0.221 120.712 120.500 -0.015 0.000 2.105 692 R HA -0.099 4.241 4.340 0.001 0.000 0.239 692 R C 2.185 178.489 176.300 0.006 0.000 1.135 692 R CA 1.240 57.335 56.100 -0.008 0.000 0.967 692 R CB -0.292 30.006 30.300 -0.003 0.000 0.861 692 R HN 0.209 nan 8.270 nan 0.000 0.442 693 A N 0.878 123.708 122.820 0.016 0.000 1.929 693 A HA 0.018 4.339 4.320 0.001 0.000 0.216 693 A C 2.299 179.920 177.584 0.062 0.000 1.176 693 A CA 1.308 53.368 52.037 0.038 0.000 0.628 693 A CB -0.392 18.629 19.000 0.034 0.000 0.816 693 A HN 0.365 nan 8.150 nan 0.000 0.444 694 A N -0.393 122.441 122.820 0.025 0.000 1.969 694 A HA -0.084 4.236 4.320 0.001 0.000 0.218 694 A C 1.943 179.544 177.584 0.028 0.000 1.169 694 A CA 1.471 53.514 52.037 0.011 0.000 0.635 694 A CB -0.323 18.615 19.000 -0.103 0.000 0.810 694 A HN 0.452 nan 8.150 nan 0.000 0.445 695 E N -0.452 119.738 120.200 -0.016 0.000 2.028 695 E HA -0.223 4.127 4.350 0.001 0.000 0.191 695 E C 2.179 178.772 176.600 -0.013 0.000 0.988 695 E CA 1.591 57.964 56.400 -0.044 0.000 0.799 695 E CB -0.386 29.282 29.700 -0.054 0.000 0.755 695 E HN 0.678 nan 8.360 nan 0.000 0.447 696 Q N 0.352 120.165 119.800 0.022 0.000 2.096 696 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 696 Q C 2.052 178.086 176.000 0.058 0.000 0.982 696 Q CA 1.612 57.435 55.803 0.034 0.000 0.850 696 Q CB -0.699 28.067 28.738 0.047 0.000 0.901 696 Q HN 0.384 nan 8.270 nan 0.000 0.422 697 Y N -0.502 119.785 120.300 -0.021 0.000 2.165 697 Y HA -0.218 4.332 4.550 0.001 0.000 0.286 697 Y C 1.884 177.771 175.900 -0.021 0.000 1.155 697 Y CA 1.788 59.884 58.100 -0.008 0.000 1.164 697 Y CB -0.438 38.025 38.460 0.005 0.000 0.978 697 Y HN 0.005 nan 8.280 nan 0.000 0.513 698 V N 0.658 120.477 119.914 -0.159 0.000 2.295 698 V HA -0.337 3.784 4.120 0.001 0.000 0.246 698 V C 2.429 178.430 176.094 -0.156 0.000 1.049 698 V CA 2.314 64.467 62.300 -0.245 0.000 1.024 698 V CB -0.691 31.021 31.823 -0.185 0.000 0.648 698 V HN 0.478 nan 8.190 nan 0.000 0.447 699 I N 0.119 120.643 120.570 -0.076 0.000 2.208 699 I HA -0.258 3.912 4.170 0.001 0.000 0.245 699 I C 2.245 178.363 176.117 0.001 0.000 1.097 699 I CA 1.665 62.972 61.300 0.012 0.000 1.363 699 I CB -0.524 37.482 38.000 0.010 0.000 1.051 699 I HN 0.325 nan 8.210 nan 0.000 0.413 700 D N 0.620 120.982 120.400 -0.062 0.000 2.092 700 D HA -0.176 4.464 4.640 0.001 0.000 0.193 700 D C 2.193 178.425 176.300 -0.112 0.000 0.994 700 D CA 1.174 55.131 54.000 -0.072 0.000 0.828 700 D CB -0.278 40.491 40.800 -0.052 0.000 0.963 700 D HN 0.292 nan 8.370 nan 0.000 0.450 701 E N -0.246 119.824 120.200 -0.217 0.000 2.106 701 E HA -0.154 4.196 4.350 0.001 0.000 0.192 701 E C 2.110 178.677 176.600 -0.056 0.000 0.984 701 E CA 0.431 56.717 56.400 -0.191 0.000 0.806 701 E CB -0.469 29.017 29.700 -0.357 0.000 0.750 701 E HN 0.465 nan 8.360 nan 0.000 0.458 702 Y N 2.417 122.644 120.300 -0.121 0.000 2.242 702 Y HA -0.130 4.421 4.550 0.001 0.000 0.291 702 Y C 1.734 177.624 175.900 -0.017 0.000 1.137 702 Y CA 1.434 59.508 58.100 -0.044 0.000 1.181 702 Y CB -0.261 38.166 38.460 -0.055 0.000 0.989 702 Y HN -0.044 nan 8.280 nan 0.000 0.527 703 N N 0.702 119.236 118.700 -0.277 0.000 2.166 703 N HA -0.155 4.586 4.740 0.001 0.000 0.186 703 N C 1.723 177.107 175.510 -0.210 0.000 1.019 703 N CA 1.415 54.281 53.050 -0.308 0.000 0.856 703 N CB -0.252 38.153 38.487 -0.137 0.000 0.993 703 N HN 0.420 nan 8.380 nan 0.000 0.426 704 K N 0.511 120.832 120.400 -0.132 0.000 1.991 704 K HA -0.151 4.169 4.320 0.001 0.000 0.212 704 K C 1.929 178.478 176.600 -0.085 0.000 1.049 704 K CA 0.928 57.163 56.287 -0.087 0.000 0.932 704 K CB -0.588 31.876 32.500 -0.059 0.000 0.717 704 K HN 0.077 nan 8.250 nan 0.000 0.441 705 L N 2.109 123.288 121.223 -0.074 0.000 2.042 705 L HA -0.199 4.141 4.340 0.001 0.000 0.210 705 L C 2.380 179.229 176.870 -0.035 0.000 1.076 705 L CA 1.872 56.697 54.840 -0.025 0.000 0.749 705 L CB -0.553 41.545 42.059 0.065 0.000 0.893 705 L HN 0.103 nan 8.230 nan 0.000 0.432 706 K N -1.547 118.755 120.400 -0.163 0.000 2.063 706 K HA -0.176 4.144 4.320 0.001 0.000 0.208 706 K C 1.805 178.348 176.600 -0.095 0.000 1.048 706 K CA 2.029 58.212 56.287 -0.174 0.000 0.928 706 K CB -0.253 31.974 32.500 -0.454 0.000 0.713 706 K HN 0.399 nan 8.250 nan 0.000 0.442 707 T N 0.437 114.926 114.554 -0.108 0.000 2.857 707 T HA -0.077 4.274 4.350 0.001 0.000 0.266 707 T C 1.761 176.439 174.700 -0.036 0.000 1.048 707 T CA 1.144 63.205 62.100 -0.065 0.000 1.139 707 T CB -0.157 68.670 68.868 -0.067 0.000 0.874 707 T HN 0.329 nan 8.240 nan 0.000 0.455 708 R N 0.690 121.170 120.500 -0.034 0.000 2.070 708 R HA -0.008 4.333 4.340 0.001 0.000 0.233 708 R C 2.297 178.594 176.300 -0.006 0.000 1.137 708 R CA 1.293 57.380 56.100 -0.021 0.000 0.945 708 R CB -0.411 29.873 30.300 -0.026 0.000 0.845 708 R HN 0.345 nan 8.270 nan 0.000 0.430 709 L N 0.009 121.238 121.223 0.011 0.000 2.093 709 L HA -0.110 4.230 4.340 0.001 0.000 0.208 709 L C 2.781 179.673 176.870 0.037 0.000 1.085 709 L CA 1.148 56.012 54.840 0.040 0.000 0.755 709 L CB -0.430 41.688 42.059 0.099 0.000 0.904 709 L HN 0.233 nan 8.230 nan 0.000 0.435 710 R N 0.328 120.842 120.500 0.024 0.000 2.080 710 R HA -0.207 4.133 4.340 0.001 0.000 0.236 710 R C 2.223 178.524 176.300 0.002 0.000 1.137 710 R CA 1.897 58.006 56.100 0.015 0.000 0.943 710 R CB -0.267 30.033 30.300 0.001 0.000 0.846 710 R HN 0.431 nan 8.270 nan 0.000 0.431 711 E N -0.033 120.163 120.200 -0.006 0.000 2.106 711 E HA -0.151 4.199 4.350 0.001 0.000 0.192 711 E C 1.992 178.584 176.600 -0.014 0.000 0.984 711 E CA 0.978 57.371 56.400 -0.012 0.000 0.806 711 E CB -0.097 29.595 29.700 -0.014 0.000 0.750 711 E HN 0.367 nan 8.360 nan 0.000 0.458 712 A N 1.368 124.182 122.820 -0.009 0.000 1.917 712 A HA -0.208 4.112 4.320 0.001 0.000 0.219 712 A C 2.308 179.879 177.584 -0.021 0.000 1.182 712 A CA 2.009 54.039 52.037 -0.012 0.000 0.633 712 A CB -0.573 18.426 19.000 -0.001 0.000 0.819 712 A HN 0.316 nan 8.150 nan 0.000 0.448 713 A N -1.430 121.380 122.820 -0.016 0.000 1.871 713 A HA 0.340 4.660 4.320 0.001 0.000 0.211 713 A C 1.101 178.653 177.584 -0.053 0.000 1.207 713 A CA 0.890 52.907 52.037 -0.034 0.000 0.620 713 A CB -0.323 18.669 19.000 -0.013 0.000 0.860 713 A HN 0.651 nan 8.150 nan 0.000 0.450 714 L N 0.829 122.030 121.223 -0.036 0.000 2.422 714 L HA 0.630 4.970 4.340 0.001 0.000 0.256 714 L C 0.144 176.994 176.870 -0.032 0.000 1.202 714 L CA -0.138 54.680 54.840 -0.037 0.000 1.119 714 L CB -0.510 41.536 42.059 -0.021 0.000 1.383 714 L HN 0.388 nan 8.230 nan 0.000 0.411 715 A N 0.000 122.795 122.820 -0.042 0.000 2.254 715 A HA 0.000 4.320 4.320 0.001 0.000 0.244 715 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 715 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 715 A HN 0.000 nan 8.150 nan 0.000 0.486