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 2by2_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.636 174.600 0.059 0.000 1.055 14 S CA 0.000 58.226 58.200 0.043 0.000 1.107 14 S CB 0.000 63.213 63.200 0.022 0.000 0.593 15 F N 3.994 123.950 119.950 0.009 0.000 2.538 15 F HA 0.526 5.054 4.527 0.001 0.000 0.371 15 F C 0.293 176.102 175.800 0.016 0.000 1.087 15 F CA 0.551 58.560 58.000 0.016 0.000 1.250 15 F CB 0.612 39.631 39.000 0.031 0.000 1.110 15 F HN 0.288 nan 8.300 nan 0.000 0.570 16 Q N 4.719 123.926 119.800 -0.988 0.000 2.331 16 Q HA 0.176 4.516 4.340 0.002 0.000 0.267 16 Q C -0.119 175.223 176.000 -1.096 0.000 1.006 16 Q CA -0.931 54.440 55.803 -0.721 0.000 0.818 16 Q CB 1.841 30.349 28.738 -0.383 0.000 1.276 16 Q HN 0.786 nan 8.270 nan 0.000 0.450 17 T N 1.272 115.526 114.554 -0.500 0.000 2.939 17 T HA -0.088 4.263 4.350 0.002 0.000 0.319 17 T C 0.891 175.479 174.700 -0.188 0.000 1.082 17 T CA 0.755 62.774 62.100 -0.135 0.000 1.133 17 T CB 0.507 69.469 68.868 0.158 0.000 1.019 17 T HN 0.582 nan 8.240 nan 0.000 0.548 18 Q N 1.797 121.514 119.800 -0.139 0.000 2.403 18 Q HA 0.063 4.404 4.340 0.002 0.000 0.203 18 Q C 0.005 175.795 176.000 -0.351 0.000 0.932 18 Q CA 0.333 55.977 55.803 -0.264 0.000 0.945 18 Q CB 0.217 28.780 28.738 -0.293 0.000 1.045 18 Q HN 0.640 nan 8.270 nan 0.000 0.511 19 H N 0.413 119.487 119.070 0.008 0.000 2.459 19 H HA 0.271 4.828 4.556 0.001 0.000 0.332 19 H C -0.949 174.384 175.328 0.009 0.000 1.094 19 H CA -0.324 55.738 56.048 0.023 0.000 1.224 19 H CB 1.473 31.270 29.762 0.058 0.000 1.449 19 H HN -0.009 nan 8.280 nan 0.000 0.484 20 D N 4.040 124.505 120.400 0.109 0.000 2.696 20 D HA 0.213 4.854 4.640 0.002 0.000 0.251 20 D C -2.108 174.231 176.300 0.065 0.000 1.188 20 D CA -2.359 51.677 54.000 0.060 0.000 0.876 20 D CB 2.518 43.325 40.800 0.012 0.000 1.334 20 D HN 0.104 nan 8.370 nan 0.000 0.540 21 P HA -0.055 nan 4.420 nan 0.000 0.219 21 P C 0.913 178.227 177.300 0.024 0.000 1.146 21 P CA 0.954 64.084 63.100 0.050 0.000 0.808 21 P CB 0.278 32.007 31.700 0.048 0.000 0.779 22 R N -1.052 119.457 120.500 0.014 0.000 2.276 22 R HA 0.041 4.382 4.340 0.002 0.000 0.203 22 R C 1.173 177.470 176.300 -0.005 0.000 1.017 22 R CA 1.494 57.594 56.100 -0.001 0.000 1.010 22 R CB -0.611 29.688 30.300 -0.003 0.000 0.900 22 R HN 0.306 nan 8.270 nan 0.000 0.469 23 T N -2.698 111.856 114.554 0.001 0.000 3.182 23 T HA 0.178 4.529 4.350 0.002 0.000 0.277 23 T C 0.414 175.111 174.700 -0.006 0.000 1.013 23 T CA -0.587 61.510 62.100 -0.006 0.000 0.900 23 T CB 0.197 69.057 68.868 -0.013 0.000 1.098 23 T HN -0.011 nan 8.240 nan 0.000 0.543 24 R N 1.728 122.229 120.500 0.002 0.000 2.522 24 R HA 0.318 4.659 4.340 0.002 0.000 0.284 24 R C -0.198 176.050 176.300 -0.087 0.000 1.032 24 R CA -0.334 55.764 56.100 -0.003 0.000 1.049 24 R CB 0.183 30.494 30.300 0.019 0.000 0.956 24 R HN 0.408 nan 8.270 nan 0.000 0.422 25 L N 4.359 125.456 121.223 -0.210 0.000 2.452 25 L HA 0.285 4.626 4.340 0.002 0.000 0.267 25 L C 1.277 177.952 176.870 -0.325 0.000 1.188 25 L CA 0.888 55.473 54.840 -0.424 0.000 0.821 25 L CB 0.839 42.287 42.059 -1.019 0.000 1.102 25 L HN 1.093 nan 8.230 nan 0.000 0.470 26 G N 1.701 110.446 108.800 -0.091 0.000 2.464 26 G HA2 0.035 3.996 3.960 0.002 0.000 0.216 26 G HA3 0.035 3.996 3.960 0.002 0.000 0.216 26 G C -0.946 174.040 174.900 0.144 0.000 1.186 26 G CA -0.226 44.999 45.100 0.208 0.000 1.010 26 G HN 1.031 nan 8.290 nan 0.000 0.585 27 A N -0.392 122.438 122.820 0.017 0.000 2.319 27 A HA 0.838 5.159 4.320 0.002 0.000 0.310 27 A C -0.140 177.279 177.584 -0.275 0.000 1.152 27 A CA 0.675 52.493 52.037 -0.365 0.000 0.783 27 A CB 1.419 20.038 19.000 -0.635 0.000 1.184 27 A HN 1.545 nan 8.150 nan 0.000 0.474 28 T N 4.718 119.080 114.554 -0.320 0.000 2.840 28 T HA 0.532 4.883 4.350 0.002 0.000 0.287 28 T C -2.881 171.686 174.700 -0.223 0.000 0.991 28 T CA -1.060 60.924 62.100 -0.193 0.000 0.964 28 T CB 1.548 70.355 68.868 -0.101 0.000 0.954 28 T HN 0.383 nan 8.240 nan 0.000 0.438 29 P HA 0.145 nan 4.420 nan 0.000 0.265 29 P C -0.501 176.736 177.300 -0.105 0.000 1.187 29 P CA -0.181 62.830 63.100 -0.149 0.000 0.766 29 P CB 0.481 32.114 31.700 -0.112 0.000 0.820 30 L N 5.089 126.254 121.223 -0.097 0.000 2.379 30 L HA 0.439 4.780 4.340 0.002 0.000 0.269 30 L C -1.575 175.271 176.870 -0.040 0.000 1.084 30 L CA -2.052 52.749 54.840 -0.065 0.000 0.802 30 L CB 0.538 42.559 42.059 -0.063 0.000 1.175 30 L HN 0.308 nan 8.230 nan 0.000 0.448 31 P HA 0.085 nan 4.420 nan 0.000 0.272 31 P C 0.456 177.748 177.300 -0.013 0.000 1.240 31 P CA 0.059 63.152 63.100 -0.013 0.000 0.791 31 P CB 0.621 32.318 31.700 -0.005 0.000 0.978 32 G N -0.062 108.734 108.800 -0.008 0.000 2.179 32 G HA2 -0.117 3.844 3.960 0.002 0.000 0.257 32 G HA3 -0.117 3.844 3.960 0.002 0.000 0.257 32 G C 0.850 175.744 174.900 -0.009 0.000 1.010 32 G CA 0.601 45.697 45.100 -0.006 0.000 0.736 32 G HN 1.115 nan 8.290 nan 0.000 0.513 33 G N -1.436 107.355 108.800 -0.014 0.000 2.203 33 G HA2 0.062 4.023 3.960 0.002 0.000 0.263 33 G HA3 0.062 4.023 3.960 0.002 0.000 0.263 33 G C 1.350 176.239 174.900 -0.018 0.000 1.012 33 G CA 1.301 46.392 45.100 -0.016 0.000 0.749 33 G HN 2.151 nan 8.290 nan 0.000 0.512 34 A N -1.184 121.623 122.820 -0.022 0.000 2.167 34 A HA 0.571 4.891 4.320 0.002 0.000 0.214 34 A C 2.314 179.880 177.584 -0.030 0.000 1.151 34 A CA 2.042 54.066 52.037 -0.021 0.000 0.735 34 A CB -0.174 18.814 19.000 -0.020 0.000 0.802 34 A HN 2.578 nan 8.150 nan 0.000 0.467 35 G N -2.311 106.462 108.800 -0.045 0.000 2.390 35 G HA2 0.157 4.118 3.960 0.002 0.000 0.202 35 G HA3 0.157 4.118 3.960 0.002 0.000 0.202 35 G C -0.311 174.517 174.900 -0.120 0.000 1.210 35 G CA -0.117 44.948 45.100 -0.060 0.000 1.271 35 G HN 0.734 nan 8.290 nan 0.000 0.543 36 T N 0.499 114.945 114.554 -0.179 0.000 2.916 36 T HA 0.649 5.000 4.350 0.002 0.000 0.298 36 T C -0.416 174.022 174.700 -0.437 0.000 1.031 36 T CA -0.515 61.349 62.100 -0.394 0.000 0.993 36 T CB 2.175 70.655 68.868 -0.646 0.000 1.045 36 T HN 0.711 nan 8.240 nan 0.000 0.454 37 R N 2.302 122.548 120.500 -0.423 0.000 2.294 37 R HA 0.569 4.909 4.340 0.002 0.000 0.319 37 R C -1.403 174.648 176.300 -0.415 0.000 0.984 37 R CA -0.505 55.430 56.100 -0.275 0.000 0.861 37 R CB 0.395 30.613 30.300 -0.136 0.000 1.104 37 R HN 0.456 nan 8.270 nan 0.000 0.451 38 F N 3.445 123.384 119.950 -0.018 0.000 2.420 38 F HA 0.533 5.061 4.527 0.001 0.000 0.342 38 F C 0.454 176.304 175.800 0.083 0.000 1.113 38 F CA -0.474 57.563 58.000 0.061 0.000 1.059 38 F CB 1.632 40.716 39.000 0.140 0.000 1.128 38 F HN 0.329 nan 8.300 nan 0.000 0.475 39 R N 3.100 123.732 120.500 0.219 0.000 2.698 39 R HA 0.843 5.184 4.340 0.002 0.000 0.275 39 R C -1.755 174.504 176.300 -0.068 0.000 1.001 39 R CA -1.123 55.016 56.100 0.065 0.000 0.896 39 R CB 2.644 32.948 30.300 0.006 0.000 1.218 39 R HN 0.601 nan 8.270 nan 0.000 0.462 40 L N -1.696 119.467 121.223 -0.099 0.000 2.568 40 L HA 0.727 5.068 4.340 0.002 0.000 0.257 40 L C -1.688 175.240 176.870 0.096 0.000 1.024 40 L CA -0.800 53.950 54.840 -0.149 0.000 0.854 40 L CB 1.322 43.123 42.059 -0.430 0.000 1.460 40 L HN 0.689 nan 8.230 nan 0.000 0.409 41 W N 1.009 122.259 121.300 -0.083 0.000 2.587 41 W HA 0.802 5.462 4.660 0.001 0.000 0.324 41 W C -1.080 175.483 176.519 0.073 0.000 1.040 41 W CA -0.344 56.958 57.345 -0.071 0.000 1.222 41 W CB 1.883 31.105 29.460 -0.397 0.000 1.381 41 W HN 0.913 nan 8.180 nan 0.000 0.483 42 T N 3.328 117.598 114.554 -0.472 0.000 2.952 42 T HA 0.333 4.684 4.350 0.002 0.000 0.305 42 T C 0.533 174.835 174.700 -0.664 0.000 1.064 42 T CA 0.005 61.755 62.100 -0.584 0.000 1.008 42 T CB 1.266 69.988 68.868 -0.243 0.000 1.078 42 T HN 0.485 nan 8.240 nan 0.000 0.459 43 S N 1.836 117.109 115.700 -0.711 0.000 2.517 43 S HA 0.094 4.565 4.470 0.002 0.000 0.214 43 S C 1.472 175.964 174.600 -0.179 0.000 0.991 43 S CA 0.733 58.711 58.200 -0.370 0.000 0.906 43 S CB -0.107 62.889 63.200 -0.340 0.000 0.789 43 S HN 0.890 nan 8.310 nan 0.000 0.513 44 T N -1.909 112.530 114.554 -0.192 0.000 2.969 44 T HA 0.576 4.927 4.350 0.002 0.000 0.258 44 T C 0.631 175.260 174.700 -0.117 0.000 0.962 44 T CA 0.306 62.332 62.100 -0.123 0.000 0.903 44 T CB -0.127 68.672 68.868 -0.116 0.000 1.177 44 T HN 0.457 nan 8.240 nan 0.000 0.511 45 A N 1.701 124.424 122.820 -0.162 0.000 2.425 45 A HA 0.571 4.892 4.320 0.002 0.000 0.249 45 A C 1.278 178.788 177.584 -0.124 0.000 1.084 45 A CA -0.507 51.425 52.037 -0.176 0.000 0.781 45 A CB 0.386 19.222 19.000 -0.274 0.000 1.019 45 A HN 0.432 nan 8.150 nan 0.000 0.490 46 R N 0.060 120.500 120.500 -0.101 0.000 2.175 46 R HA 0.067 4.408 4.340 0.002 0.000 0.202 46 R C 0.171 176.436 176.300 -0.059 0.000 1.018 46 R CA 1.304 57.372 56.100 -0.052 0.000 1.029 46 R CB 0.116 30.393 30.300 -0.037 0.000 0.959 46 R HN 0.856 nan 8.270 nan 0.000 0.480 47 T N -1.433 113.059 114.554 -0.103 0.000 2.863 47 T HA 0.614 4.964 4.350 0.002 0.000 0.285 47 T C -0.489 174.099 174.700 -0.188 0.000 1.009 47 T CA -0.716 61.323 62.100 -0.101 0.000 0.989 47 T CB 2.448 71.278 68.868 -0.063 0.000 1.004 47 T HN -0.212 nan 8.240 nan 0.000 0.455 48 V N 1.578 121.366 119.914 -0.210 0.000 2.623 48 V HA 0.866 4.987 4.120 0.002 0.000 0.304 48 V C -0.124 175.911 176.094 -0.098 0.000 1.054 48 V CA -0.683 61.444 62.300 -0.289 0.000 0.882 48 V CB 1.200 32.551 31.823 -0.787 0.000 1.002 48 V HN 1.438 nan 8.190 nan 0.000 0.424 49 A N 3.589 126.399 122.820 -0.016 0.000 2.566 49 A HA 0.944 5.264 4.320 0.002 0.000 0.292 49 A C -1.411 176.277 177.584 0.173 0.000 1.112 49 A CA -0.720 51.358 52.037 0.067 0.000 0.707 49 A CB 2.290 21.308 19.000 0.030 0.000 1.302 49 A HN 1.087 nan 8.150 nan 0.000 0.409 50 V N 0.867 120.872 119.914 0.151 0.000 2.513 50 V HA 0.710 4.831 4.120 0.002 0.000 0.299 50 V C -0.181 175.903 176.094 -0.017 0.000 1.035 50 V CA -0.755 61.590 62.300 0.077 0.000 0.889 50 V CB 1.485 33.216 31.823 -0.153 0.000 0.988 50 V HN 0.897 nan 8.190 nan 0.000 0.440 51 R N 5.106 125.566 120.500 -0.066 0.000 2.288 51 R HA 0.677 5.018 4.340 0.002 0.000 0.326 51 R C -1.816 174.457 176.300 -0.045 0.000 0.959 51 R CA -0.391 55.686 56.100 -0.037 0.000 0.834 51 R CB 1.535 31.807 30.300 -0.047 0.000 1.157 51 R HN 0.617 nan 8.270 nan 0.000 0.470 52 V N 5.515 125.436 119.914 0.011 0.000 2.409 52 V HA 0.195 4.316 4.120 0.002 0.000 0.291 52 V C -0.072 176.063 176.094 0.068 0.000 1.020 52 V CA -0.954 61.361 62.300 0.025 0.000 0.848 52 V CB 1.560 33.361 31.823 -0.038 0.000 0.990 52 V HN 0.949 nan 8.190 nan 0.000 0.430 53 N N 4.041 122.779 118.700 0.064 0.000 2.721 53 N HA -0.229 4.512 4.740 0.002 0.000 0.249 53 N C 1.199 176.726 175.510 0.028 0.000 1.072 53 N CA 1.620 54.700 53.050 0.050 0.000 0.710 53 N CB -1.089 37.436 38.487 0.064 0.000 0.993 53 N HN 1.533 nan 8.380 nan 0.000 0.547 54 G N -2.851 105.954 108.800 0.009 0.000 2.199 54 G HA2 -0.303 3.658 3.960 0.002 0.000 0.254 54 G HA3 -0.303 3.658 3.960 0.002 0.000 0.254 54 G C 0.162 175.046 174.900 -0.026 0.000 0.982 54 G CA 0.625 45.718 45.100 -0.011 0.000 0.632 54 G HN 0.522 nan 8.290 nan 0.000 0.529 55 T N 1.633 116.176 114.554 -0.017 0.000 2.771 55 T HA 0.527 4.878 4.350 0.002 0.000 0.281 55 T C -0.146 174.461 174.700 -0.155 0.000 0.982 55 T CA -0.362 61.682 62.100 -0.093 0.000 0.978 55 T CB 1.828 70.650 68.868 -0.077 0.000 0.930 55 T HN 0.326 nan 8.240 nan 0.000 0.447 56 E N 2.737 122.809 120.200 -0.213 0.000 2.259 56 E HA 0.204 4.555 4.350 0.002 0.000 0.281 56 E C -0.369 176.032 176.600 -0.332 0.000 1.027 56 E CA -0.518 55.781 56.400 -0.169 0.000 0.838 56 E CB 0.645 30.286 29.700 -0.097 0.000 1.066 56 E HN 0.592 nan 8.360 nan 0.000 0.401 57 H N 1.619 120.669 119.070 -0.033 0.000 2.609 57 H HA 0.209 4.766 4.556 0.001 0.000 0.344 57 H C -0.010 175.322 175.328 0.006 0.000 1.040 57 H CA -0.615 55.424 56.048 -0.014 0.000 1.216 57 H CB 1.326 31.074 29.762 -0.023 0.000 1.529 57 H HN 0.234 nan 8.280 nan 0.000 0.519 61 S N 2.330 117.929 115.700 -0.168 0.000 2.474 61 S HA 0.444 4.915 4.470 0.002 0.000 0.276 61 S C 0.980 175.377 174.600 -0.339 0.000 1.227 61 S CA -0.707 57.128 58.200 -0.608 0.000 1.050 61 S CB -0.045 62.904 63.200 -0.419 0.000 0.939 61 S HN 0.595 nan 8.310 nan 0.000 0.490 62 L N 4.679 125.695 121.223 -0.345 0.000 2.590 62 L HA 0.408 4.749 4.340 0.002 0.000 0.227 62 L C 1.195 177.990 176.870 -0.125 0.000 1.099 62 L CA 0.206 54.946 54.840 -0.166 0.000 0.872 62 L CB -0.582 41.413 42.059 -0.108 0.000 1.088 62 L HN 0.931 nan 8.230 nan 0.000 0.479 63 G N -0.845 107.861 108.800 -0.157 0.000 2.629 63 G HA2 0.174 4.135 3.960 0.002 0.000 0.686 63 G HA3 0.174 4.135 3.960 0.002 0.000 0.686 63 G C 0.456 175.349 174.900 -0.011 0.000 1.232 63 G CA -0.497 44.561 45.100 -0.069 0.000 0.803 63 G HN 0.431 nan 8.290 nan 0.000 0.638 64 G N -0.784 108.044 108.800 0.047 0.000 2.179 64 G HA2 0.351 4.312 3.960 0.002 0.000 0.257 64 G HA3 0.351 4.312 3.960 0.002 0.000 0.257 64 G C 2.107 177.181 174.900 0.289 0.000 1.010 64 G CA 1.150 46.330 45.100 0.133 0.000 0.736 64 G HN 3.126 nan 8.290 nan 0.000 0.513 65 G N -1.644 107.284 108.800 0.212 0.000 2.168 65 G HA2 -0.236 3.725 3.960 0.002 0.000 0.263 65 G HA3 -0.236 3.725 3.960 0.002 0.000 0.263 65 G C 0.335 175.449 174.900 0.356 0.000 0.977 65 G CA 0.480 45.759 45.100 0.298 0.000 0.659 65 G HN 1.183 nan 8.290 nan 0.000 0.533 66 I N 0.387 121.053 120.570 0.160 0.000 2.395 66 I HA 0.508 4.679 4.170 0.002 0.000 0.289 66 I C 0.199 176.247 176.117 -0.114 0.000 1.023 66 I CA -0.930 60.446 61.300 0.127 0.000 1.350 66 I CB 0.549 38.586 38.000 0.062 0.000 1.409 66 I HN 0.076 nan 8.210 nan 0.000 0.507 67 Y N 3.742 124.059 120.300 0.028 0.000 2.462 67 Y HA 0.516 5.067 4.550 0.001 0.000 0.346 67 Y C 0.189 176.096 175.900 0.011 0.000 0.976 67 Y CA -0.680 57.425 58.100 0.008 0.000 1.044 67 Y CB 2.261 40.709 38.460 -0.019 0.000 1.230 67 Y HN 0.526 nan 8.280 nan 0.000 0.455 68 E N 2.390 122.682 120.200 0.154 0.000 2.356 68 E HA 0.688 5.039 4.350 0.002 0.000 0.275 68 E C -2.316 174.377 176.600 0.154 0.000 0.904 68 E CA -0.868 55.611 56.400 0.132 0.000 0.757 68 E CB 2.515 32.254 29.700 0.066 0.000 1.232 68 E HN 0.555 nan 8.360 nan 0.000 0.442 69 L N 2.151 123.491 121.223 0.195 0.000 2.505 69 L HA 0.422 4.763 4.340 0.002 0.000 0.259 69 L C -1.750 175.241 176.870 0.202 0.000 0.952 69 L CA -0.155 54.790 54.840 0.175 0.000 0.840 69 L CB 2.224 44.385 42.059 0.170 0.000 1.358 69 L HN 0.593 nan 8.230 nan 0.000 0.409 70 E N 4.670 124.938 120.200 0.112 0.000 2.166 70 E HA 0.712 5.063 4.350 0.002 0.000 0.275 70 E C -1.385 175.251 176.600 0.060 0.000 0.941 70 E CA -0.543 55.900 56.400 0.072 0.000 0.784 70 E CB 2.119 31.830 29.700 0.018 0.000 1.115 70 E HN 0.432 nan 8.360 nan 0.000 0.399 71 L N 3.270 124.537 121.223 0.073 0.000 2.371 71 L HA 0.377 4.718 4.340 0.002 0.000 0.262 71 L C -2.198 174.680 176.870 0.013 0.000 1.006 71 L CA -2.271 52.581 54.840 0.019 0.000 0.818 71 L CB 2.440 44.488 42.059 -0.019 0.000 1.354 71 L HN 0.342 nan 8.230 nan 0.000 0.415 72 P HA -0.019 nan 4.420 nan 0.000 0.269 72 P C -0.184 177.121 177.300 0.008 0.000 1.461 72 P CA 0.137 63.237 63.100 0.000 0.000 0.809 72 P CB -0.305 31.398 31.700 0.004 0.000 1.503 73 V N -2.934 116.995 119.914 0.025 0.000 2.732 73 V HA 0.777 4.898 4.120 0.002 0.000 0.297 73 V C 0.566 176.661 176.094 0.001 0.000 1.060 73 V CA -0.413 61.910 62.300 0.039 0.000 1.038 73 V CB 0.993 32.874 31.823 0.098 0.000 1.003 73 V HN 0.131 nan 8.190 nan 0.000 0.481 74 G N 2.817 111.618 108.800 0.002 0.000 2.887 74 G HA2 0.706 4.667 3.960 0.002 0.000 0.277 74 G HA3 0.706 4.667 3.960 0.002 0.000 0.277 74 G C -3.014 171.874 174.900 -0.019 0.000 1.346 74 G CA -1.916 43.170 45.100 -0.024 0.000 1.058 74 G HN 0.701 nan 8.290 nan 0.000 0.535 75 P HA 0.235 nan 4.420 nan 0.000 0.264 75 P C 0.849 178.152 177.300 0.006 0.000 1.183 75 P CA 1.698 64.778 63.100 -0.033 0.000 0.763 75 P CB 0.997 32.664 31.700 -0.056 0.000 0.807 76 G N 1.673 110.495 108.800 0.037 0.000 2.254 76 G HA2 -0.165 3.795 3.960 0.002 0.000 0.225 76 G HA3 -0.165 3.795 3.960 0.002 0.000 0.225 76 G C 0.463 175.419 174.900 0.094 0.000 1.003 76 G CA -0.047 45.091 45.100 0.063 0.000 0.622 76 G HN 0.837 nan 8.290 nan 0.000 0.507 77 A N 0.899 123.782 122.820 0.106 0.000 2.483 77 A HA 0.605 4.926 4.320 0.002 0.000 0.238 77 A C 0.651 178.366 177.584 0.219 0.000 1.070 77 A CA 0.489 52.614 52.037 0.146 0.000 0.770 77 A CB 0.255 19.352 19.000 0.162 0.000 1.008 77 A HN 0.407 nan 8.150 nan 0.000 0.497 78 R N 0.485 121.096 120.500 0.186 0.000 2.460 78 R HA 0.600 4.941 4.340 0.002 0.000 0.303 78 R C -1.147 175.264 176.300 0.184 0.000 0.968 78 R CA -0.226 55.965 56.100 0.150 0.000 0.889 78 R CB 1.100 31.431 30.300 0.050 0.000 1.123 78 R HN 0.862 nan 8.270 nan 0.000 0.455 79 Y N -0.132 120.137 120.300 -0.053 0.000 2.656 79 Y HA 0.696 5.247 4.550 0.001 0.000 0.334 79 Y C -1.554 174.206 175.900 -0.234 0.000 1.179 79 Y CA -1.460 56.540 58.100 -0.167 0.000 1.050 79 Y CB 0.960 39.282 38.460 -0.230 0.000 1.308 79 Y HN 0.352 nan 8.280 nan 0.000 0.456 80 L N -0.973 120.046 121.223 -0.339 0.000 2.510 80 L HA 0.802 5.143 4.340 0.002 0.000 0.252 80 L C -1.785 174.875 176.870 -0.349 0.000 1.091 80 L CA -1.470 53.116 54.840 -0.425 0.000 0.888 80 L CB 0.783 42.673 42.059 -0.281 0.000 1.507 80 L HN 0.602 nan 8.230 nan 0.000 0.407 81 F N -0.311 119.690 119.950 0.084 0.000 2.483 81 F HA 0.833 5.361 4.527 0.002 0.000 0.329 81 F C -0.020 175.758 175.800 -0.037 0.000 1.064 81 F CA -0.952 57.094 58.000 0.077 0.000 0.986 81 F CB 2.171 41.300 39.000 0.215 0.000 1.218 81 F HN 0.219 nan 8.300 nan 0.000 0.484 82 V N 3.735 123.740 119.914 0.152 0.000 2.409 82 V HA 0.399 4.520 4.120 0.002 0.000 0.290 82 V C -0.607 175.449 176.094 -0.063 0.000 1.017 82 V CA -0.687 61.614 62.300 0.003 0.000 0.841 82 V CB 1.437 33.253 31.823 -0.012 0.000 1.003 82 V HN 0.490 nan 8.190 nan 0.000 0.426 83 L N 4.194 125.337 121.223 -0.132 0.000 2.298 83 L HA 0.567 4.908 4.340 0.002 0.000 0.284 83 L C 0.044 176.822 176.870 -0.154 0.000 1.013 83 L CA -0.613 54.105 54.840 -0.202 0.000 0.824 83 L CB 1.314 43.179 42.059 -0.323 0.000 1.221 83 L HN 0.613 nan 8.230 nan 0.000 0.418 84 D N 3.419 123.738 120.400 -0.136 0.000 2.701 84 D HA -0.209 4.432 4.640 0.002 0.000 0.235 84 D C 1.207 177.459 176.300 -0.079 0.000 1.155 84 D CA 1.509 55.449 54.000 -0.099 0.000 0.649 84 D CB -0.759 39.983 40.800 -0.097 0.000 1.050 84 D HN 1.106 nan 8.370 nan 0.000 0.425 85 G N -2.262 106.493 108.800 -0.075 0.000 2.179 85 G HA2 -0.318 3.643 3.960 0.002 0.000 0.260 85 G HA3 -0.318 3.643 3.960 0.002 0.000 0.260 85 G C 0.355 175.218 174.900 -0.062 0.000 0.977 85 G CA 0.255 45.318 45.100 -0.061 0.000 0.641 85 G HN 0.635 nan 8.290 nan 0.000 0.533 86 V N 2.322 122.190 119.914 -0.076 0.000 2.350 86 V HA 0.441 4.562 4.120 0.002 0.000 0.276 86 V C -1.798 174.246 176.094 -0.083 0.000 1.028 86 V CA -1.737 60.519 62.300 -0.074 0.000 0.860 86 V CB 1.555 33.332 31.823 -0.077 0.000 0.990 86 V HN 0.093 nan 8.190 nan 0.000 0.453 87 P HA 0.237 nan 4.420 nan 0.000 0.267 87 P C -0.373 176.846 177.300 -0.134 0.000 1.209 87 P CA 0.293 63.342 63.100 -0.086 0.000 0.763 87 P CB 0.377 32.029 31.700 -0.081 0.000 0.816 88 T N 5.027 119.496 114.554 -0.141 0.000 2.937 88 T HA 0.399 4.749 4.350 0.002 0.000 0.297 88 T C -2.661 171.930 174.700 -0.183 0.000 0.991 88 T CA -1.616 60.339 62.100 -0.242 0.000 0.990 88 T CB 1.349 70.100 68.868 -0.194 0.000 0.991 88 T HN 0.098 nan 8.240 nan 0.000 0.440 89 P HA 0.093 nan 4.420 nan 0.000 0.269 89 P C -0.509 176.851 177.300 0.099 0.000 1.217 89 P CA -0.283 62.679 63.100 -0.229 0.000 0.783 89 P CB 0.453 31.962 31.700 -0.318 0.000 0.898 90 D N 2.318 122.773 120.400 0.091 0.000 2.325 90 D HA 0.119 4.760 4.640 0.002 0.000 0.251 90 D C -1.662 174.767 176.300 0.215 0.000 1.196 90 D CA -2.144 52.043 54.000 0.312 0.000 0.866 90 D CB 0.334 41.331 40.800 0.328 0.000 1.101 90 D HN 0.102 nan 8.370 nan 0.000 0.476 91 P HA -0.091 nan 4.420 nan 0.000 0.225 91 P C 0.154 177.451 177.300 -0.005 0.000 1.148 91 P CA 1.000 64.105 63.100 0.008 0.000 0.779 91 P CB -0.001 31.527 31.700 -0.286 0.000 0.780 92 Y N -1.116 119.256 120.300 0.120 0.000 2.493 92 Y HA 0.410 4.961 4.550 0.001 0.000 0.275 92 Y C 1.216 177.117 175.900 0.003 0.000 1.183 92 Y CA -0.817 57.204 58.100 -0.132 0.000 1.258 92 Y CB -0.670 37.672 38.460 -0.196 0.000 1.108 92 Y HN -0.169 nan 8.280 nan 0.000 0.521 93 A N 0.803 123.769 122.820 0.243 0.000 2.565 93 A HA 0.040 4.361 4.320 0.002 0.000 0.237 93 A C 1.269 179.020 177.584 0.279 0.000 1.053 93 A CA -0.143 52.036 52.037 0.237 0.000 0.755 93 A CB 0.459 19.531 19.000 0.120 0.000 0.980 93 A HN 0.342 nan 8.150 nan 0.000 0.506 94 R N 0.377 121.058 120.500 0.302 0.000 2.246 94 R HA 0.223 4.564 4.340 0.002 0.000 0.199 94 R C -0.702 175.873 176.300 0.460 0.000 0.984 94 R CA 0.577 56.896 56.100 0.366 0.000 1.015 94 R CB -0.405 30.058 30.300 0.272 0.000 0.930 94 R HN 0.674 nan 8.270 nan 0.000 0.475 95 F N -0.731 119.317 119.950 0.164 0.000 2.672 95 F HA 0.352 4.880 4.527 0.002 0.000 0.311 95 F C -1.587 174.253 175.800 0.067 0.000 1.113 95 F CA -1.164 56.917 58.000 0.135 0.000 0.996 95 F CB 1.220 40.295 39.000 0.126 0.000 1.286 95 F HN -0.241 nan 8.300 nan 0.000 0.441 96 L N 7.601 128.445 121.223 -0.631 0.000 2.488 96 L HA 0.354 4.695 4.340 0.002 0.000 0.250 96 L C -1.903 174.547 176.870 -0.701 0.000 1.280 96 L CA -1.349 53.206 54.840 -0.474 0.000 0.929 96 L CB 1.445 43.350 42.059 -0.256 0.000 1.200 96 L HN 0.399 nan 8.230 nan 0.000 0.495 97 P HA -0.100 nan 4.420 nan 0.000 0.220 97 P C 0.308 177.447 177.300 -0.268 0.000 1.148 97 P CA 1.124 63.957 63.100 -0.447 0.000 0.803 97 P CB 0.332 31.975 31.700 -0.096 0.000 0.782 98 D N -0.910 119.359 120.400 -0.217 0.000 2.424 98 D HA 0.306 4.947 4.640 0.002 0.000 0.220 98 D C 1.223 177.437 176.300 -0.142 0.000 1.150 98 D CA 0.402 54.316 54.000 -0.144 0.000 0.831 98 D CB 0.479 41.223 40.800 -0.093 0.000 0.981 98 D HN 0.094 nan 8.370 nan 0.000 0.500 99 G N 0.754 109.429 108.800 -0.209 0.000 2.698 99 G HA2 -0.274 3.687 3.960 0.002 0.000 0.225 99 G HA3 -0.274 3.687 3.960 0.002 0.000 0.225 99 G C 0.972 175.775 174.900 -0.162 0.000 1.345 99 G CA -0.251 44.740 45.100 -0.182 0.000 0.871 99 G HN 0.353 nan 8.290 nan 0.000 0.540 100 V N -2.958 116.839 119.914 -0.196 0.000 3.141 100 V HA 0.106 4.227 4.120 0.002 0.000 0.265 100 V C 1.655 177.597 176.094 -0.255 0.000 1.126 100 V CA 2.281 64.449 62.300 -0.220 0.000 1.141 100 V CB -0.552 31.133 31.823 -0.231 0.000 0.743 100 V HN 0.772 nan 8.190 nan 0.000 0.492 101 H N 0.546 119.662 119.070 0.077 0.000 2.594 101 H HA 0.506 5.063 4.556 0.001 0.000 0.279 101 H C 1.125 176.419 175.328 -0.056 0.000 1.042 101 H CA 0.522 56.611 56.048 0.068 0.000 1.177 101 H CB 0.657 30.478 29.762 0.098 0.000 1.524 101 H HN 0.595 nan 8.280 nan 0.000 0.537 102 G N 0.319 109.102 108.800 -0.028 0.000 2.613 102 G HA2 0.281 4.242 3.960 0.002 0.000 0.303 102 G HA3 0.281 4.242 3.960 0.002 0.000 0.303 102 G C -0.241 174.566 174.900 -0.154 0.000 1.312 102 G CA -0.639 44.413 45.100 -0.081 0.000 1.036 102 G HN 0.111 nan 8.290 nan 0.000 0.513 103 E N -0.503 119.599 120.200 -0.162 0.000 2.398 103 E HA 0.399 4.750 4.350 0.002 0.000 0.263 103 E C 0.437 176.869 176.600 -0.281 0.000 1.046 103 E CA -0.133 56.124 56.400 -0.239 0.000 0.908 103 E CB 1.097 30.694 29.700 -0.172 0.000 0.963 103 E HN 0.533 nan 8.360 nan 0.000 0.431 104 A N 2.590 125.117 122.820 -0.488 0.000 2.271 104 A HA 0.224 4.545 4.320 0.002 0.000 0.288 104 A C -0.094 177.381 177.584 -0.183 0.000 1.094 104 A CA -0.360 51.433 52.037 -0.406 0.000 0.828 104 A CB 0.734 19.344 19.000 -0.651 0.000 1.091 104 A HN 0.709 nan 8.150 nan 0.000 0.493 105 E N 0.438 120.687 120.200 0.080 0.000 2.183 105 E HA 0.507 4.858 4.350 0.002 0.000 0.271 105 E C -1.283 175.507 176.600 0.317 0.000 0.919 105 E CA -0.671 55.863 56.400 0.224 0.000 0.781 105 E CB 1.510 31.372 29.700 0.272 0.000 1.140 105 E HN 0.394 nan 8.360 nan 0.000 0.402 106 V N 4.231 124.322 119.914 0.294 0.000 2.572 106 V HA 0.134 4.255 4.120 0.002 0.000 0.291 106 V C -0.076 176.030 176.094 0.020 0.000 1.039 106 V CA -0.204 62.182 62.300 0.142 0.000 1.055 106 V CB 1.094 32.931 31.823 0.023 0.000 0.969 106 V HN 0.451 nan 8.190 nan 0.000 0.482 107 V N 3.875 123.733 119.914 -0.094 0.000 2.604 107 V HA 0.436 4.557 4.120 0.002 0.000 0.305 107 V C -0.495 175.339 176.094 -0.433 0.000 1.043 107 V CA -0.668 61.477 62.300 -0.258 0.000 0.888 107 V CB 2.121 33.741 31.823 -0.338 0.000 0.995 107 V HN 0.897 nan 8.190 nan 0.000 0.429 108 D N 2.668 122.854 120.400 -0.356 0.000 2.414 108 D HA 0.369 5.010 4.640 0.002 0.000 0.232 108 D C 0.301 176.442 176.300 -0.265 0.000 1.070 108 D CA -0.473 53.355 54.000 -0.287 0.000 0.839 108 D CB 1.181 41.905 40.800 -0.127 0.000 1.079 108 D HN 0.297 nan 8.370 nan 0.000 0.521 109 F N 1.678 121.621 119.950 -0.011 0.000 2.699 109 F HA 0.167 4.695 4.527 0.001 0.000 0.298 109 F C 2.411 178.247 175.800 0.061 0.000 1.154 109 F CA 0.364 58.355 58.000 -0.015 0.000 1.457 109 F CB -0.092 38.895 39.000 -0.023 0.000 1.106 109 F HN 0.523 nan 8.300 nan 0.000 0.585 110 G N -1.193 107.715 108.800 0.181 0.000 2.813 110 G HA2 -0.081 3.880 3.960 0.002 0.000 0.209 110 G HA3 -0.081 3.880 3.960 0.002 0.000 0.209 110 G C 1.637 176.609 174.900 0.120 0.000 1.150 110 G CA 0.799 45.995 45.100 0.160 0.000 0.785 110 G HN 0.266 nan 8.290 nan 0.000 0.535 111 T N 0.666 115.268 114.554 0.081 0.000 2.732 111 T HA 0.029 4.380 4.350 0.002 0.000 0.261 111 T C 0.831 175.550 174.700 0.032 0.000 1.040 111 T CA -0.006 62.116 62.100 0.037 0.000 1.145 111 T CB -0.188 68.683 68.868 0.005 0.000 0.866 111 T HN 0.158 nan 8.240 nan 0.000 0.427 112 F N 3.154 123.013 119.950 -0.151 0.000 2.607 112 F HA 0.072 4.600 4.527 0.002 0.000 0.374 112 F C -0.046 175.552 175.800 -0.337 0.000 1.104 112 F CA -0.565 57.234 58.000 -0.336 0.000 1.296 112 F CB 0.384 39.028 39.000 -0.594 0.000 1.085 112 F HN -0.001 nan 8.300 nan 0.000 0.584 113 D N 6.771 126.625 120.400 -0.910 0.000 2.494 113 D HA 0.052 4.693 4.640 0.002 0.000 0.217 113 D C -0.722 175.202 176.300 -0.628 0.000 1.153 113 D CA 0.072 53.737 54.000 -0.557 0.000 0.954 113 D CB -0.109 40.425 40.800 -0.443 0.000 1.034 113 D HN 0.410 nan 8.370 nan 0.000 0.518 114 W N 0.751 121.993 121.300 -0.096 0.000 2.181 114 W HA 0.068 4.729 4.660 0.001 0.000 0.335 114 W C 1.779 178.317 176.519 0.032 0.000 1.310 114 W CA -0.202 57.187 57.345 0.073 0.000 1.226 114 W CB 0.678 30.238 29.460 0.166 0.000 1.155 114 W HN 0.216 nan 8.180 nan 0.000 0.565 115 T N -2.506 112.242 114.554 0.323 0.000 3.132 115 T HA -0.014 4.337 4.350 0.002 0.000 0.274 115 T C 0.292 175.131 174.700 0.231 0.000 1.011 115 T CA -0.194 62.025 62.100 0.198 0.000 0.899 115 T CB -0.206 68.719 68.868 0.095 0.000 1.089 115 T HN 0.428 nan 8.240 nan 0.000 0.543 116 D N 0.938 121.541 120.400 0.338 0.000 2.587 116 D HA 0.397 5.037 4.640 0.002 0.000 0.233 116 D C 1.468 177.878 176.300 0.184 0.000 1.213 116 D CA -0.261 53.914 54.000 0.293 0.000 0.827 116 D CB 0.123 41.187 40.800 0.440 0.000 1.006 116 D HN 0.371 nan 8.370 nan 0.000 0.490 117 A N 0.543 123.447 122.820 0.139 0.000 2.070 117 A HA -0.158 4.163 4.320 0.002 0.000 0.220 117 A C 1.468 179.014 177.584 -0.063 0.000 1.159 117 A CA 1.033 53.105 52.037 0.059 0.000 0.656 117 A CB -0.127 18.925 19.000 0.088 0.000 0.800 117 A HN 0.099 nan 8.150 nan 0.000 0.453 118 D N -1.874 118.497 120.400 -0.048 0.000 2.339 118 D HA 0.025 4.666 4.640 0.002 0.000 0.217 118 D C 0.078 176.174 176.300 -0.339 0.000 1.050 118 D CA -0.134 53.787 54.000 -0.131 0.000 0.856 118 D CB -0.084 40.736 40.800 0.033 0.000 0.922 118 D HN 0.696 nan 8.370 nan 0.000 0.518 119 W N 0.947 121.932 121.300 -0.525 0.000 2.351 119 W HA 0.174 4.835 4.660 0.001 0.000 0.311 119 W C -0.613 175.453 176.519 -0.755 0.000 1.168 119 W CA -0.169 56.859 57.345 -0.529 0.000 1.200 119 W CB 0.522 29.725 29.460 -0.428 0.000 1.221 119 W HN 0.009 nan 8.180 nan 0.000 0.519 120 H N 3.722 122.165 119.070 -1.046 0.000 2.549 120 H HA 0.325 4.882 4.556 0.001 0.000 0.253 120 H C 0.894 175.638 175.328 -0.973 0.000 1.170 120 H CA 0.357 55.934 56.048 -0.786 0.000 0.943 120 H CB 0.421 29.905 29.762 -0.464 0.000 1.849 120 H HN 0.732 nan 8.280 nan 0.000 0.603 121 G N 0.884 108.749 108.800 -1.559 0.000 2.725 121 G HA2 -0.249 3.712 3.960 0.002 0.000 0.220 121 G HA3 -0.249 3.712 3.960 0.002 0.000 0.220 121 G C -0.818 173.678 174.900 -0.674 0.000 1.357 121 G CA -0.282 44.356 45.100 -0.771 0.000 0.866 121 G HN 0.376 nan 8.290 nan 0.000 0.548 122 I N -0.563 119.936 120.570 -0.119 0.000 2.656 122 I HA 0.557 4.728 4.170 0.002 0.000 0.292 122 I C 0.032 176.190 176.117 0.069 0.000 1.144 122 I CA -1.108 60.197 61.300 0.009 0.000 1.038 122 I CB 1.585 39.753 38.000 0.281 0.000 1.244 122 I HN 0.674 nan 8.210 nan 0.000 0.420 123 K N 5.089 125.493 120.400 0.006 0.000 2.237 123 K HA 0.160 4.480 4.320 0.002 0.000 0.270 123 K C 0.597 177.226 176.600 0.047 0.000 1.015 123 K CA -0.512 55.788 56.287 0.022 0.000 0.949 123 K CB 1.226 33.708 32.500 -0.029 0.000 0.976 123 K HN 0.480 nan 8.250 nan 0.000 0.472 124 L N 3.194 124.464 121.223 0.079 0.000 2.042 124 L HA -0.194 4.147 4.340 0.002 0.000 0.210 124 L C 1.982 178.832 176.870 -0.034 0.000 1.076 124 L CA 2.046 56.925 54.840 0.066 0.000 0.749 124 L CB -0.726 41.404 42.059 0.118 0.000 0.893 124 L HN 0.869 nan 8.230 nan 0.000 0.432 125 A N -1.418 121.381 122.820 -0.035 0.000 2.125 125 A HA -0.166 4.155 4.320 0.002 0.000 0.219 125 A C 1.637 179.165 177.584 -0.093 0.000 1.156 125 A CA 1.724 53.722 52.037 -0.064 0.000 0.671 125 A CB -0.575 18.391 19.000 -0.056 0.000 0.794 125 A HN 0.567 nan 8.150 nan 0.000 0.459 126 D N -1.256 119.088 120.400 -0.094 0.000 2.369 126 D HA 0.138 4.779 4.640 0.002 0.000 0.211 126 D C -0.230 175.982 176.300 -0.148 0.000 1.077 126 D CA 0.045 53.983 54.000 -0.104 0.000 0.842 126 D CB -0.128 40.629 40.800 -0.073 0.000 0.947 126 D HN 0.289 nan 8.370 nan 0.000 0.509 127 C N 1.240 120.389 119.300 -0.252 0.000 2.514 127 C HA 0.402 4.863 4.460 0.002 0.000 0.392 127 C C 0.588 175.284 174.990 -0.492 0.000 1.294 127 C CA -0.596 58.111 59.018 -0.518 0.000 1.957 127 C CB 0.775 27.889 27.740 -1.044 0.000 2.541 127 C HN -0.032 nan 8.230 nan 0.000 0.569 128 V N 5.130 124.797 119.914 -0.412 0.000 2.349 128 V HA 0.335 4.456 4.120 0.002 0.000 0.284 128 V C -0.365 175.598 176.094 -0.220 0.000 1.014 128 V CA -0.292 61.856 62.300 -0.252 0.000 0.826 128 V CB 0.409 32.183 31.823 -0.081 0.000 1.009 128 V HN 0.659 nan 8.190 nan 0.000 0.431 129 F N 3.742 123.670 119.950 -0.037 0.000 2.418 129 F HA 0.458 4.986 4.527 0.002 0.000 0.341 129 F C -0.141 175.708 175.800 0.081 0.000 1.120 129 F CA -0.371 57.615 58.000 -0.024 0.000 1.232 129 F CB 0.639 39.580 39.000 -0.098 0.000 1.175 129 F HN 0.478 nan 8.300 nan 0.000 0.569 130 Y N 2.036 122.454 120.300 0.196 0.000 2.333 130 Y HA 0.251 4.802 4.550 0.002 0.000 0.324 130 Y C -0.492 175.425 175.900 0.029 0.000 1.033 130 Y CA -0.869 57.281 58.100 0.084 0.000 1.224 130 Y CB 0.871 39.371 38.460 0.068 0.000 1.120 130 Y HN 0.659 nan 8.280 nan 0.000 0.457 131 E N 5.809 125.879 120.200 -0.216 0.000 2.180 131 E HA 0.467 4.818 4.350 0.002 0.000 0.283 131 E C -1.155 175.195 176.600 -0.418 0.000 1.061 131 E CA -0.580 55.733 56.400 -0.144 0.000 0.861 131 E CB 0.731 30.471 29.700 0.068 0.000 1.056 131 E HN 0.500 nan 8.360 nan 0.000 0.407 132 V N 2.456 122.214 119.914 -0.260 0.000 2.628 132 V HA 0.381 4.502 4.120 0.002 0.000 0.306 132 V C -0.494 175.494 176.094 -0.177 0.000 1.045 132 V CA -0.901 61.170 62.300 -0.382 0.000 0.905 132 V CB 1.651 33.091 31.823 -0.638 0.000 0.997 132 V HN 0.733 nan 8.190 nan 0.000 0.436 133 H N 3.437 122.406 119.070 -0.169 0.000 2.581 133 H HA 0.415 4.972 4.556 0.001 0.000 0.308 133 H C 0.445 175.839 175.328 0.111 0.000 1.040 133 H CA -0.224 55.862 56.048 0.062 0.000 1.231 133 H CB 2.110 32.046 29.762 0.289 0.000 1.396 133 H HN 0.645 nan 8.280 nan 0.000 0.467 134 V N 4.658 124.263 119.914 -0.515 0.000 2.392 134 V HA -0.243 3.878 4.120 0.002 0.000 0.249 134 V C 2.556 178.457 176.094 -0.322 0.000 1.059 134 V CA 2.228 64.227 62.300 -0.502 0.000 1.051 134 V CB -0.679 30.569 31.823 -0.959 0.000 0.658 134 V HN 0.928 nan 8.190 nan 0.000 0.455 135 G N -0.107 108.484 108.800 -0.348 0.000 2.432 135 G HA2 -0.216 3.745 3.960 0.002 0.000 0.219 135 G HA3 -0.216 3.745 3.960 0.002 0.000 0.219 135 G C 1.579 176.831 174.900 0.586 0.000 1.135 135 G CA 1.599 46.972 45.100 0.455 0.000 0.767 135 G HN 0.612 nan 8.290 nan 0.000 0.550 136 T N -3.209 111.762 114.554 0.695 0.000 2.985 136 T HA 0.185 4.536 4.350 0.002 0.000 0.254 136 T C 1.807 176.763 174.700 0.428 0.000 1.021 136 T CA -0.113 62.270 62.100 0.472 0.000 0.957 136 T CB -0.121 69.109 68.868 0.605 0.000 1.047 136 T HN 0.039 nan 8.240 nan 0.000 0.511 137 F N 4.467 124.584 119.950 0.278 0.000 2.216 137 F HA 0.125 4.653 4.527 0.002 0.000 0.300 137 F C 0.883 176.980 175.800 0.494 0.000 1.085 137 F CA 1.083 59.269 58.000 0.309 0.000 1.326 137 F CB -0.381 38.766 39.000 0.244 0.000 1.027 137 F HN 0.343 nan 8.300 nan 0.000 0.497 138 T N -4.375 110.367 114.554 0.313 0.000 2.883 138 T HA 0.396 4.747 4.350 0.002 0.000 0.296 138 T C -2.038 172.745 174.700 0.139 0.000 1.117 138 T CA -1.810 60.389 62.100 0.165 0.000 1.006 138 T CB 1.549 70.412 68.868 -0.009 0.000 1.191 138 T HN -0.355 nan 8.240 nan 0.000 0.508 139 P HA -0.081 nan 4.420 nan 0.000 0.215 139 P C 1.139 178.476 177.300 0.062 0.000 1.157 139 P CA 1.295 64.427 63.100 0.053 0.000 0.874 139 P CB 0.052 31.768 31.700 0.027 0.000 0.790 140 E N -1.182 119.050 120.200 0.053 0.000 2.110 140 E HA 0.039 4.390 4.350 0.002 0.000 0.193 140 E C 1.407 178.081 176.600 0.124 0.000 0.988 140 E CA 1.160 57.602 56.400 0.071 0.000 0.804 140 E CB -0.957 28.768 29.700 0.041 0.000 0.745 140 E HN 0.222 nan 8.360 nan 0.000 0.458 141 G N 1.191 110.075 108.800 0.139 0.000 2.246 141 G HA2 -0.282 3.679 3.960 0.002 0.000 0.273 141 G HA3 -0.282 3.679 3.960 0.002 0.000 0.273 141 G C 0.206 175.163 174.900 0.095 0.000 1.055 141 G CA 0.623 45.836 45.100 0.188 0.000 0.851 141 G HN 0.424 nan 8.290 nan 0.000 0.500 142 T N -3.943 110.626 114.554 0.025 0.000 2.916 142 T HA 0.653 5.004 4.350 0.002 0.000 0.292 142 T C 0.989 175.652 174.700 -0.062 0.000 1.064 142 T CA -0.325 61.729 62.100 -0.077 0.000 1.011 142 T CB 1.391 70.262 68.868 0.004 0.000 1.152 142 T HN 0.156 nan 8.240 nan 0.000 0.510 143 Y N 0.150 120.505 120.300 0.092 0.000 2.181 143 Y HA -0.098 4.453 4.550 0.001 0.000 0.288 143 Y C 3.022 178.960 175.900 0.064 0.000 1.146 143 Y CA 0.439 58.581 58.100 0.070 0.000 1.164 143 Y CB -0.223 38.284 38.460 0.078 0.000 0.982 143 Y HN 0.367 nan 8.280 nan 0.000 0.515 144 R N 0.435 121.059 120.500 0.207 0.000 2.081 144 R HA -0.135 4.206 4.340 0.002 0.000 0.235 144 R C 2.444 178.790 176.300 0.076 0.000 1.131 144 R CA 1.256 57.428 56.100 0.121 0.000 0.960 144 R CB -1.101 29.252 30.300 0.088 0.000 0.856 144 R HN 0.409 nan 8.270 nan 0.000 0.436 145 A N 0.888 123.746 122.820 0.062 0.000 1.969 145 A HA 0.011 4.332 4.320 0.002 0.000 0.218 145 A C 2.352 179.955 177.584 0.031 0.000 1.169 145 A CA 1.520 53.563 52.037 0.009 0.000 0.635 145 A CB -0.429 18.568 19.000 -0.006 0.000 0.810 145 A HN 0.333 nan 8.150 nan 0.000 0.445 146 A N 0.031 122.952 122.820 0.168 0.000 1.933 146 A HA 0.164 4.484 4.320 0.002 0.000 0.218 146 A C 2.461 180.188 177.584 0.239 0.000 1.175 146 A CA 1.921 54.169 52.037 0.352 0.000 0.628 146 A CB -0.937 18.302 19.000 0.399 0.000 0.814 146 A HN 1.039 nan 8.150 nan 0.000 0.444 147 A N -0.301 122.604 122.820 0.141 0.000 1.972 147 A HA -0.138 4.183 4.320 0.002 0.000 0.219 147 A C 1.788 179.398 177.584 0.042 0.000 1.169 147 A CA 1.632 53.719 52.037 0.084 0.000 0.635 147 A CB -0.386 18.650 19.000 0.059 0.000 0.810 147 A HN 0.446 nan 8.150 nan 0.000 0.446 148 E N 0.261 120.462 120.200 0.001 0.000 2.333 148 E HA -0.116 4.235 4.350 0.002 0.000 0.198 148 E C 1.094 177.635 176.600 -0.099 0.000 1.007 148 E CA 0.747 57.109 56.400 -0.063 0.000 0.845 148 E CB -0.111 29.522 29.700 -0.111 0.000 0.766 148 E HN 0.487 nan 8.360 nan 0.000 0.507 149 K N 0.304 120.659 120.400 -0.075 0.000 2.404 149 K HA 0.158 4.479 4.320 0.002 0.000 0.194 149 K C 2.042 178.732 176.600 0.150 0.000 1.023 149 K CA -0.092 56.158 56.287 -0.062 0.000 1.094 149 K CB 0.187 32.581 32.500 -0.177 0.000 0.841 149 K HN 0.172 nan 8.250 nan 0.000 0.523 150 L N 1.138 122.426 121.223 0.108 0.000 2.012 150 L HA -0.153 4.188 4.340 0.002 0.000 0.210 150 L C -0.684 176.221 176.870 0.058 0.000 1.073 150 L CA 1.582 56.473 54.840 0.085 0.000 0.748 150 L CB -1.506 40.578 42.059 0.040 0.000 0.891 150 L HN 0.060 nan 8.230 nan 0.000 0.431 151 P HA -0.242 nan 4.420 nan 0.000 0.216 151 P C 1.384 178.718 177.300 0.056 0.000 1.150 151 P CA 1.337 64.460 63.100 0.038 0.000 0.837 151 P CB -0.103 31.615 31.700 0.031 0.000 0.786 152 Y N 0.540 120.837 120.300 -0.004 0.000 2.128 152 Y HA -0.216 4.335 4.550 0.001 0.000 0.284 152 Y C 1.993 177.916 175.900 0.038 0.000 1.154 152 Y CA 1.590 59.709 58.100 0.031 0.000 1.149 152 Y CB -1.123 37.369 38.460 0.053 0.000 0.976 152 Y HN -0.200 nan 8.280 nan 0.000 0.505 153 L N 0.117 121.284 121.223 -0.094 0.000 2.056 153 L HA -0.182 4.159 4.340 0.002 0.000 0.207 153 L C 2.516 179.261 176.870 -0.208 0.000 1.078 153 L CA 1.717 56.400 54.840 -0.261 0.000 0.749 153 L CB -0.602 41.373 42.059 -0.139 0.000 0.901 153 L HN 0.145 nan 8.230 nan 0.000 0.433 154 K N 0.879 121.216 120.400 -0.104 0.000 2.026 154 K HA -0.254 4.067 4.320 0.002 0.000 0.208 154 K C 1.984 178.537 176.600 -0.079 0.000 1.048 154 K CA 1.759 58.008 56.287 -0.064 0.000 0.929 154 K CB -0.129 32.356 32.500 -0.024 0.000 0.713 154 K HN 0.083 nan 8.250 nan 0.000 0.439 155 E N -0.087 120.053 120.200 -0.100 0.000 2.152 155 E HA -0.105 4.246 4.350 0.002 0.000 0.192 155 E C 1.796 178.324 176.600 -0.120 0.000 0.983 155 E CA 0.823 57.174 56.400 -0.082 0.000 0.818 155 E CB -0.349 29.319 29.700 -0.052 0.000 0.758 155 E HN 0.307 nan 8.360 nan 0.000 0.467 156 L N -0.520 120.552 121.223 -0.250 0.000 2.042 156 L HA -0.019 4.322 4.340 0.002 0.000 0.210 156 L C 1.658 178.484 176.870 -0.074 0.000 1.076 156 L CA 2.475 57.184 54.840 -0.219 0.000 0.749 156 L CB -0.376 41.438 42.059 -0.408 0.000 0.893 156 L HN 0.338 nan 8.230 nan 0.000 0.432 157 G N -1.921 106.836 108.800 -0.073 0.000 2.183 157 G HA2 -0.146 3.814 3.960 0.002 0.000 0.168 157 G HA3 -0.146 3.814 3.960 0.002 0.000 0.168 157 G C 0.263 175.158 174.900 -0.008 0.000 1.008 157 G CA 0.119 45.206 45.100 -0.022 0.000 0.677 157 G HN 0.825 nan 8.290 nan 0.000 0.498 158 V N -0.686 119.217 119.914 -0.018 0.000 3.133 158 V HA 0.834 4.955 4.120 0.002 0.000 0.305 158 V C 1.192 177.284 176.094 -0.004 0.000 1.084 158 V CA 1.253 63.561 62.300 0.013 0.000 1.089 158 V CB 1.393 33.258 31.823 0.069 0.000 1.073 158 V HN 0.997 nan 8.190 nan 0.000 0.477 159 T N -1.957 112.592 114.554 -0.008 0.000 3.016 159 T HA 0.672 5.023 4.350 0.002 0.000 0.271 159 T C 0.283 175.015 174.700 0.054 0.000 0.968 159 T CA 0.443 62.552 62.100 0.015 0.000 0.891 159 T CB 0.224 69.089 68.868 -0.005 0.000 1.149 159 T HN 1.790 nan 8.240 nan 0.000 0.524 160 A N 1.576 124.414 122.820 0.031 0.000 2.459 160 A HA 0.685 5.006 4.320 0.002 0.000 0.296 160 A C -1.229 176.512 177.584 0.262 0.000 1.039 160 A CA -0.803 51.321 52.037 0.145 0.000 0.698 160 A CB 1.050 19.990 19.000 -0.101 0.000 1.261 160 A HN 0.270 nan 8.150 nan 0.000 0.405 161 I N 2.207 122.969 120.570 0.320 0.000 2.304 161 I HA 0.319 4.490 4.170 0.002 0.000 0.291 161 I C 0.229 176.556 176.117 0.351 0.000 1.018 161 I CA -0.250 61.224 61.300 0.289 0.000 1.260 161 I CB 1.000 39.104 38.000 0.174 0.000 1.390 161 I HN 0.790 nan 8.210 nan 0.000 0.475 162 Q N 6.888 126.857 119.800 0.282 0.000 2.398 162 Q HA 0.448 4.789 4.340 0.002 0.000 0.251 162 Q C -1.002 175.068 176.000 0.118 0.000 0.999 162 Q CA -0.234 55.694 55.803 0.208 0.000 0.874 162 Q CB 1.019 29.820 28.738 0.105 0.000 1.215 162 Q HN 0.496 nan 8.270 nan 0.000 0.470 166 L N -0.187 120.971 121.223 -0.107 0.000 2.731 166 L HA 0.474 4.815 4.340 0.002 0.000 0.240 166 L C 0.897 177.929 176.870 0.270 0.000 1.120 166 L CA -0.181 54.760 54.840 0.169 0.000 0.913 166 L CB 0.272 42.384 42.059 0.088 0.000 1.213 166 L HN 0.553 nan 8.230 nan 0.000 0.515 167 A N 1.352 124.300 122.820 0.213 0.000 2.511 167 A HA 0.485 4.806 4.320 0.002 0.000 0.242 167 A C 0.789 178.575 177.584 0.336 0.000 1.069 167 A CA 0.112 52.368 52.037 0.365 0.000 0.763 167 A CB 0.142 19.337 19.000 0.325 0.000 1.001 167 A HN 0.268 nan 8.150 nan 0.000 0.498 168 A N 2.089 125.097 122.820 0.314 0.000 2.546 168 A HA 0.487 4.808 4.320 0.002 0.000 0.243 168 A C 0.036 177.731 177.584 0.185 0.000 1.063 168 A CA 0.395 52.537 52.037 0.174 0.000 0.757 168 A CB -0.668 18.409 19.000 0.129 0.000 0.991 168 A HN 1.456 nan 8.150 nan 0.000 0.503 169 F N -0.050 119.925 119.950 0.042 0.000 2.654 169 F HA 0.724 5.252 4.527 0.002 0.000 0.334 169 F C -0.283 175.527 175.800 0.017 0.000 1.078 169 F CA -1.742 56.246 58.000 -0.021 0.000 0.986 169 F CB 0.710 39.625 39.000 -0.142 0.000 1.362 169 F HN 0.411 nan 8.300 nan 0.000 0.498 170 D N 0.021 120.555 120.400 0.223 0.000 2.339 170 D HA 0.495 5.136 4.640 0.002 0.000 0.245 170 D C 0.416 176.766 176.300 0.083 0.000 1.115 170 D CA 1.537 55.607 54.000 0.117 0.000 0.917 170 D CB 1.328 42.251 40.800 0.205 0.000 1.192 170 D HN 1.120 nan 8.370 nan 0.000 0.428 171 G N 2.180 111.010 108.800 0.050 0.000 2.728 171 G HA2 -0.173 3.788 3.960 0.002 0.000 0.294 171 G HA3 -0.173 3.788 3.960 0.002 0.000 0.294 171 G C 0.157 175.100 174.900 0.071 0.000 1.342 171 G CA -0.327 44.792 45.100 0.032 0.000 0.866 171 G HN 0.451 nan 8.290 nan 0.000 0.534 172 Q N 0.094 119.918 119.800 0.039 0.000 2.282 172 Q HA 0.151 4.492 4.340 0.002 0.000 0.206 172 Q C 1.390 177.412 176.000 0.036 0.000 0.878 172 Q CA 1.128 56.938 55.803 0.012 0.000 0.944 172 Q CB 0.530 29.241 28.738 -0.046 0.000 1.100 172 Q HN 0.835 nan 8.270 nan 0.000 0.509 173 R N -1.727 118.813 120.500 0.068 0.000 2.716 173 R HA 0.790 5.131 4.340 0.002 0.000 0.271 173 R C -0.650 175.856 176.300 0.344 0.000 1.028 173 R CA -0.480 55.658 56.100 0.063 0.000 0.883 173 R CB 0.886 30.666 30.300 -0.866 0.000 1.250 173 R HN -0.032 nan 8.270 nan 0.000 0.465 174 G N -0.536 108.568 108.800 0.506 0.000 2.355 174 G HA2 0.303 4.263 3.960 0.002 0.000 0.296 174 G HA3 0.303 4.263 3.960 0.002 0.000 0.296 174 G C -1.054 173.936 174.900 0.149 0.000 1.507 174 G CA -0.750 44.330 45.100 -0.033 0.000 0.823 174 G HN 0.436 nan 8.290 nan 0.000 0.569 175 W N 0.155 121.186 121.300 -0.448 0.000 2.388 175 W HA 0.271 4.932 4.660 0.002 0.000 0.294 175 W C 2.139 178.558 176.519 -0.166 0.000 1.212 175 W CA 2.188 59.448 57.345 -0.143 0.000 1.271 175 W CB -0.161 29.333 29.460 0.057 0.000 1.126 175 W HN 1.788 nan 8.180 nan 0.000 0.535 176 G N -3.201 105.351 108.800 -0.415 0.000 2.296 176 G HA2 -0.274 3.687 3.960 0.002 0.000 0.188 176 G HA3 -0.274 3.687 3.960 0.002 0.000 0.188 176 G C 0.634 175.176 174.900 -0.596 0.000 1.000 176 G CA 0.003 44.741 45.100 -0.603 0.000 0.672 176 G HN 0.255 nan 8.290 nan 0.000 0.483 177 Y N 1.728 122.004 120.300 -0.040 0.000 2.578 177 Y HA 0.223 4.774 4.550 0.001 0.000 0.297 177 Y C 1.643 177.664 175.900 0.201 0.000 1.176 177 Y CA 0.895 59.063 58.100 0.113 0.000 1.315 177 Y CB 0.301 38.925 38.460 0.274 0.000 1.031 177 Y HN 0.149 nan 8.280 nan 0.000 0.524 178 D N -0.297 120.140 120.400 0.062 0.000 2.342 178 D HA 0.101 4.742 4.640 0.002 0.000 0.221 178 D C 1.122 177.497 176.300 0.125 0.000 1.101 178 D CA 0.112 54.154 54.000 0.069 0.000 0.837 178 D CB -0.122 40.681 40.800 0.004 0.000 0.938 178 D HN 0.227 nan 8.370 nan 0.000 0.508 179 G N 0.444 109.320 108.800 0.127 0.000 2.287 179 G HA2 0.216 4.177 3.960 0.002 0.000 0.235 179 G HA3 0.216 4.177 3.960 0.002 0.000 0.235 179 G C 0.768 175.947 174.900 0.464 0.000 1.258 179 G CA 0.331 45.617 45.100 0.311 0.000 0.884 179 G HN 0.209 nan 8.290 nan 0.000 0.518 180 A N 1.743 124.863 122.820 0.501 0.000 2.140 180 A HA 0.702 5.023 4.320 0.002 0.000 0.199 180 A C 1.310 179.196 177.584 0.504 0.000 1.416 180 A CA 1.032 53.375 52.037 0.510 0.000 1.018 180 A CB 0.410 19.565 19.000 0.259 0.000 1.117 180 A HN 1.735 nan 8.150 nan 0.000 0.480 181 A N 0.009 123.124 122.820 0.492 0.000 2.511 181 A HA 0.622 4.943 4.320 0.002 0.000 0.340 181 A C 0.116 178.089 177.584 0.648 0.000 1.396 181 A CA -0.539 51.775 52.037 0.462 0.000 0.887 181 A CB -0.377 18.802 19.000 0.299 0.000 1.145 181 A HN 0.190 nan 8.150 nan 0.000 0.497 182 F N 0.361 120.622 119.950 0.519 0.000 2.365 182 F HA -0.062 4.466 4.527 0.001 0.000 0.300 182 F C 1.119 177.037 175.800 0.197 0.000 1.090 182 F CA 1.164 59.381 58.000 0.362 0.000 1.408 182 F CB -0.685 38.514 39.000 0.331 0.000 1.060 182 F HN 0.770 nan 8.300 nan 0.000 0.534 183 Y N -0.697 119.760 120.300 0.262 0.000 2.466 183 Y HA 0.438 4.989 4.550 0.001 0.000 0.272 183 Y C 1.009 176.954 175.900 0.075 0.000 1.169 183 Y CA -0.045 58.054 58.100 -0.002 0.000 1.285 183 Y CB -0.001 38.468 38.460 0.015 0.000 1.078 183 Y HN -0.113 nan 8.280 nan 0.000 0.523 184 A N 1.340 124.390 122.820 0.383 0.000 2.277 184 A HA 0.503 4.824 4.320 0.002 0.000 0.318 184 A C -2.773 175.082 177.584 0.452 0.000 1.339 184 A CA -1.889 50.383 52.037 0.392 0.000 0.875 184 A CB 0.175 19.347 19.000 0.287 0.000 1.158 184 A HN -0.110 nan 8.150 nan 0.000 0.514 185 P HA -0.002 nan 4.420 nan 0.000 0.267 185 P C -0.530 177.085 177.300 0.524 0.000 1.205 185 P CA 0.207 63.671 63.100 0.606 0.000 0.765 185 P CB 0.106 32.159 31.700 0.588 0.000 0.828 186 Y N 3.785 124.199 120.300 0.190 0.000 2.745 186 Y HA 0.058 4.609 4.550 0.002 0.000 0.335 186 Y C 1.543 177.367 175.900 -0.128 0.000 1.212 186 Y CA -0.144 57.847 58.100 -0.181 0.000 1.535 186 Y CB -0.089 38.042 38.460 -0.548 0.000 1.220 186 Y HN 0.564 nan 8.280 nan 0.000 0.531 187 A N 7.387 129.928 122.820 -0.465 0.000 1.940 187 A HA -0.113 4.208 4.320 0.002 0.000 0.219 187 A C -0.304 177.076 177.584 -0.340 0.000 1.176 187 A CA 1.442 53.323 52.037 -0.260 0.000 0.631 187 A CB -1.636 17.094 19.000 -0.451 0.000 0.814 187 A HN 0.724 nan 8.150 nan 0.000 0.446 188 P HA -0.149 nan 4.420 nan 0.000 0.219 188 P C 0.848 178.038 177.300 -0.183 0.000 1.146 188 P CA 0.999 63.798 63.100 -0.501 0.000 0.808 188 P CB -0.194 31.080 31.700 -0.711 0.000 0.779 189 Y N -1.238 118.877 120.300 -0.309 0.000 2.457 189 Y HA 0.169 4.720 4.550 0.002 0.000 0.292 189 Y C 1.481 177.059 175.900 -0.537 0.000 1.125 189 Y CA -0.149 57.681 58.100 -0.451 0.000 1.254 189 Y CB 0.133 38.175 38.460 -0.697 0.000 1.012 189 Y HN -0.010 nan 8.280 nan 0.000 0.555 190 G N 0.078 108.879 108.800 0.001 0.000 2.359 190 G HA2 0.080 4.041 3.960 0.002 0.000 0.314 190 G HA3 0.080 4.041 3.960 0.002 0.000 0.314 190 G C -1.424 173.676 174.900 0.334 0.000 1.364 190 G CA -1.192 44.023 45.100 0.192 0.000 0.978 190 G HN -0.027 nan 8.290 nan 0.000 0.615 191 R N 0.655 121.253 120.500 0.163 0.000 2.583 191 R HA 0.404 4.745 4.340 0.002 0.000 0.268 191 R C -1.441 174.777 176.300 -0.137 0.000 1.101 191 R CA -1.240 54.728 56.100 -0.220 0.000 1.180 191 R CB 0.701 30.870 30.300 -0.217 0.000 1.128 191 R HN 0.256 nan 8.270 nan 0.000 0.568 192 P HA -0.249 nan 4.420 nan 0.000 0.216 192 P C 0.814 178.121 177.300 0.013 0.000 1.153 192 P CA 1.440 64.562 63.100 0.037 0.000 0.858 192 P CB 0.096 31.807 31.700 0.019 0.000 0.789 193 E N -0.592 119.553 120.200 -0.091 0.000 2.268 193 E HA -0.180 4.171 4.350 0.002 0.000 0.195 193 E C 1.051 177.603 176.600 -0.081 0.000 0.995 193 E CA 1.150 57.474 56.400 -0.126 0.000 0.836 193 E CB -1.023 28.691 29.700 0.024 0.000 0.763 193 E HN 0.291 nan 8.360 nan 0.000 0.491 194 D N 1.021 121.434 120.400 0.022 0.000 2.149 194 D HA -0.027 4.614 4.640 0.002 0.000 0.201 194 D C 1.265 177.569 176.300 0.006 0.000 0.972 194 D CA 0.238 54.305 54.000 0.111 0.000 0.835 194 D CB -0.158 40.806 40.800 0.274 0.000 0.966 194 D HN 0.170 nan 8.370 nan 0.000 0.476 198 L N 1.156 122.329 121.223 -0.085 0.000 2.027 198 L HA 0.005 4.346 4.340 0.002 0.000 0.206 198 L C 2.149 178.924 176.870 -0.159 0.000 1.074 198 L CA 2.763 57.555 54.840 -0.081 0.000 0.745 198 L CB -0.532 41.480 42.059 -0.077 0.000 0.898 198 L HN 0.233 nan 8.230 nan 0.000 0.433 199 V N -0.041 119.724 119.914 -0.247 0.000 2.343 199 V HA -0.301 3.820 4.120 0.002 0.000 0.247 199 V C 2.338 178.224 176.094 -0.346 0.000 1.051 199 V CA 2.005 64.066 62.300 -0.398 0.000 1.036 199 V CB -0.840 30.722 31.823 -0.435 0.000 0.654 199 V HN 0.540 nan 8.190 nan 0.000 0.451 200 D N 0.149 120.561 120.400 0.021 0.000 2.123 200 D HA -0.167 4.474 4.640 0.002 0.000 0.196 200 D C 2.121 178.448 176.300 0.044 0.000 0.992 200 D CA 1.556 55.668 54.000 0.187 0.000 0.833 200 D CB -0.159 40.823 40.800 0.304 0.000 0.954 200 D HN 0.385 nan 8.370 nan 0.000 0.455 201 A N 0.349 123.164 122.820 -0.008 0.000 1.902 201 A HA 0.025 4.346 4.320 0.002 0.000 0.217 201 A C 2.342 179.890 177.584 -0.059 0.000 1.181 201 A CA 2.122 54.149 52.037 -0.016 0.000 0.623 201 A CB -1.048 17.947 19.000 -0.009 0.000 0.818 201 A HN 0.313 nan 8.150 nan 0.000 0.443 202 A N -0.615 122.125 122.820 -0.134 0.000 1.877 202 A HA -0.213 4.108 4.320 0.002 0.000 0.216 202 A C 1.943 179.400 177.584 -0.212 0.000 1.186 202 A CA 1.721 53.657 52.037 -0.168 0.000 0.620 202 A CB -1.130 17.736 19.000 -0.222 0.000 0.822 202 A HN 0.761 nan 8.150 nan 0.000 0.443 203 H N -1.154 117.675 119.070 -0.402 0.000 2.387 203 H HA -0.087 4.470 4.556 0.001 0.000 0.299 203 H C 2.320 177.479 175.328 -0.282 0.000 1.099 203 H CA 0.869 56.516 56.048 -0.668 0.000 1.315 203 H CB 0.078 29.498 29.762 -0.571 0.000 1.380 203 H HN 0.254 nan 8.280 nan 0.000 0.513 204 R N 0.789 121.301 120.500 0.021 0.000 2.120 204 R HA -0.079 4.262 4.340 0.002 0.000 0.234 204 R C 2.018 178.334 176.300 0.027 0.000 1.123 204 R CA 0.688 56.816 56.100 0.047 0.000 0.975 204 R CB -0.445 29.884 30.300 0.049 0.000 0.866 204 R HN 0.396 nan 8.270 nan 0.000 0.446 205 L N -0.315 120.902 121.223 -0.011 0.000 2.591 205 L HA 0.147 4.488 4.340 0.002 0.000 0.228 205 L C 0.916 177.792 176.870 0.009 0.000 1.133 205 L CA 0.481 55.320 54.840 -0.000 0.000 0.880 205 L CB -0.053 41.999 42.059 -0.012 0.000 1.033 205 L HN 0.353 nan 8.230 nan 0.000 0.450 206 G N 0.744 109.534 108.800 -0.017 0.000 2.149 206 G HA2 -0.257 3.704 3.960 0.002 0.000 0.235 206 G HA3 -0.257 3.704 3.960 0.002 0.000 0.235 206 G C -0.062 174.848 174.900 0.017 0.000 1.018 206 G CA -0.228 44.938 45.100 0.109 0.000 0.728 206 G HN 0.225 nan 8.290 nan 0.000 0.508 207 L N 0.500 121.593 121.223 -0.218 0.000 2.309 207 L HA 0.712 5.053 4.340 0.002 0.000 0.282 207 L C 1.219 177.954 176.870 -0.226 0.000 1.036 207 L CA -0.542 54.232 54.840 -0.110 0.000 0.806 207 L CB 1.666 43.693 42.059 -0.053 0.000 1.220 207 L HN 0.197 nan 8.230 nan 0.000 0.429 208 G N 1.821 110.716 108.800 0.157 0.000 2.537 208 G HA2 0.544 4.505 3.960 0.002 0.000 0.273 208 G HA3 0.544 4.505 3.960 0.002 0.000 0.273 208 G C -0.824 174.323 174.900 0.411 0.000 1.189 208 G CA -0.298 45.057 45.100 0.425 0.000 0.881 208 G HN 0.331 nan 8.290 nan 0.000 0.535 209 V N 0.693 120.889 119.914 0.470 0.000 2.569 209 V HA 0.497 4.618 4.120 0.002 0.000 0.301 209 V C -0.987 175.490 176.094 0.638 0.000 1.044 209 V CA -0.586 61.967 62.300 0.423 0.000 0.874 209 V CB 1.241 33.072 31.823 0.013 0.000 1.002 209 V HN 0.635 nan 8.190 nan 0.000 0.424 210 F N 4.066 124.263 119.950 0.412 0.000 2.546 210 F HA 0.771 5.299 4.527 0.001 0.000 0.320 210 F C -0.374 175.469 175.800 0.072 0.000 1.076 210 F CA -0.991 57.189 58.000 0.300 0.000 0.928 210 F CB 2.240 41.382 39.000 0.238 0.000 1.189 210 F HN 0.362 nan 8.300 nan 0.000 0.465 211 L N 2.636 123.760 121.223 -0.165 0.000 2.362 211 L HA 0.452 4.793 4.340 0.002 0.000 0.275 211 L C -0.864 175.714 176.870 -0.485 0.000 0.998 211 L CA -0.436 54.035 54.840 -0.615 0.000 0.820 211 L CB 1.306 42.410 42.059 -1.593 0.000 1.270 211 L HN 0.418 nan 8.230 nan 0.000 0.415 212 D N 3.593 123.740 120.400 -0.421 0.000 2.343 212 D HA 0.363 5.004 4.640 0.002 0.000 0.255 212 D C -0.715 175.254 176.300 -0.552 0.000 1.187 212 D CA 0.194 53.954 54.000 -0.401 0.000 0.875 212 D CB 0.999 41.624 40.800 -0.291 0.000 1.136 212 D HN 0.409 nan 8.370 nan 0.000 0.469 213 V N 1.329 120.883 119.914 -0.600 0.000 2.769 213 V HA 0.667 4.788 4.120 0.002 0.000 0.312 213 V C -0.355 175.260 176.094 -0.798 0.000 1.061 213 V CA -0.896 60.924 62.300 -0.801 0.000 0.931 213 V CB 2.051 33.264 31.823 -1.017 0.000 1.010 213 V HN 0.186 nan 8.190 nan 0.000 0.433 214 V N 4.906 124.315 119.914 -0.842 0.000 2.289 214 V HA 0.362 4.483 4.120 0.002 0.000 0.272 214 V C -0.668 175.237 176.094 -0.314 0.000 1.026 214 V CA -0.123 61.877 62.300 -0.500 0.000 0.807 214 V CB 0.350 31.926 31.823 -0.411 0.000 1.044 214 V HN 0.927 nan 8.190 nan 0.000 0.443 215 Y N 2.577 122.851 120.300 -0.043 0.000 2.607 215 Y HA 0.157 4.708 4.550 0.001 0.000 0.266 215 Y C 1.594 177.692 175.900 0.330 0.000 1.178 215 Y CA -1.063 57.152 58.100 0.193 0.000 1.226 215 Y CB -0.589 37.989 38.460 0.197 0.000 1.144 215 Y HN 0.802 nan 8.280 nan 0.000 0.528 216 N N -0.551 118.385 118.700 0.394 0.000 2.322 216 N HA -0.001 4.740 4.740 0.002 0.000 0.181 216 N C 0.238 176.054 175.510 0.511 0.000 1.088 216 N CA 0.257 53.586 53.050 0.464 0.000 0.885 216 N CB 0.299 39.045 38.487 0.432 0.000 1.013 216 N HN 0.218 nan 8.380 nan 0.000 0.472 217 H N -2.327 116.945 119.070 0.337 0.000 3.037 217 H HA 0.329 4.886 4.556 0.002 0.000 0.336 217 H C -1.832 173.689 175.328 0.322 0.000 1.323 217 H CA -1.060 55.210 56.048 0.371 0.000 1.159 217 H CB 0.246 30.227 29.762 0.365 0.000 1.882 217 H HN -0.123 nan 8.280 nan 0.000 0.535 218 F N 0.527 120.728 119.950 0.419 0.000 2.470 218 F HA 0.530 5.058 4.527 0.001 0.000 0.329 218 F C 1.454 177.454 175.800 0.333 0.000 1.072 218 F CA 0.136 58.320 58.000 0.306 0.000 0.989 218 F CB 1.768 40.821 39.000 0.089 0.000 1.193 218 F HN 0.787 nan 8.300 nan 0.000 0.481 219 G N 1.558 110.550 108.800 0.320 0.000 2.667 219 G HA2 0.233 4.194 3.960 0.002 0.000 0.250 219 G HA3 0.233 4.194 3.960 0.002 0.000 0.250 219 G C -1.840 172.908 174.900 -0.253 0.000 1.212 219 G CA -0.939 44.092 45.100 -0.115 0.000 0.874 219 G HN 0.474 nan 8.290 nan 0.000 0.561 220 P HA 0.043 nan 4.420 nan 0.000 0.229 220 P C 0.529 177.658 177.300 -0.285 0.000 1.160 220 P CA 0.670 63.479 63.100 -0.485 0.000 0.777 220 P CB 0.664 31.851 31.700 -0.854 0.000 0.814 221 S N -1.103 114.476 115.700 -0.202 0.000 2.594 221 S HA 0.571 5.042 4.470 0.002 0.000 0.296 221 S C 0.661 175.243 174.600 -0.029 0.000 1.124 221 S CA 0.143 58.317 58.200 -0.044 0.000 1.011 221 S CB 0.537 63.795 63.200 0.098 0.000 1.016 221 S HN 0.297 nan 8.310 nan 0.000 0.485 222 G N 3.721 112.460 108.800 -0.101 0.000 2.159 222 G HA2 -0.208 3.753 3.960 0.002 0.000 0.227 222 G HA3 -0.208 3.753 3.960 0.002 0.000 0.227 222 G C -0.181 174.662 174.900 -0.095 0.000 0.986 222 G CA 0.046 45.070 45.100 -0.127 0.000 0.651 222 G HN 0.846 nan 8.290 nan 0.000 0.523 223 N N -0.025 118.523 118.700 -0.254 0.000 2.462 223 N HA 0.527 5.268 4.740 0.002 0.000 0.242 223 N C 0.315 175.597 175.510 -0.381 0.000 1.010 223 N CA -0.785 52.105 53.050 -0.266 0.000 0.939 223 N CB 0.202 38.499 38.487 -0.316 0.000 1.127 223 N HN 0.213 nan 8.380 nan 0.000 0.509 224 Y N 2.681 122.931 120.300 -0.083 0.000 2.524 224 Y HA 0.278 4.829 4.550 0.002 0.000 0.266 224 Y C 1.548 177.508 175.900 0.101 0.000 1.180 224 Y CA -0.205 57.916 58.100 0.036 0.000 1.244 224 Y CB 0.265 38.820 38.460 0.159 0.000 1.125 224 Y HN 0.492 nan 8.280 nan 0.000 0.524 225 L N -1.106 120.103 121.223 -0.023 0.000 2.042 225 L HA -0.281 4.060 4.340 0.002 0.000 0.210 225 L C 2.291 179.308 176.870 0.245 0.000 1.076 225 L CA 1.467 56.245 54.840 -0.104 0.000 0.749 225 L CB -0.435 41.193 42.059 -0.719 0.000 0.893 225 L HN 0.153 nan 8.230 nan 0.000 0.432 226 S N -0.949 114.910 115.700 0.265 0.000 2.419 226 S HA -0.155 4.316 4.470 0.002 0.000 0.233 226 S C 2.132 176.813 174.600 0.135 0.000 1.016 226 S CA 1.278 59.624 58.200 0.245 0.000 0.974 226 S CB -0.100 63.168 63.200 0.113 0.000 0.786 226 S HN 0.384 nan 8.310 nan 0.000 0.492 227 S N 0.194 115.970 115.700 0.127 0.000 2.419 227 S HA -0.043 4.428 4.470 0.002 0.000 0.233 227 S C 1.367 175.865 174.600 -0.169 0.000 1.016 227 S CA 1.026 59.213 58.200 -0.023 0.000 0.974 227 S CB -0.253 62.923 63.200 -0.039 0.000 0.786 227 S HN 0.632 nan 8.310 nan 0.000 0.492 228 Y N 0.916 121.217 120.300 0.001 0.000 2.262 228 Y HA 0.430 4.981 4.550 0.001 0.000 0.295 228 Y C 1.000 176.749 175.900 -0.252 0.000 1.121 228 Y CA 0.474 58.519 58.100 -0.092 0.000 1.144 228 Y CB 0.186 38.656 38.460 0.016 0.000 1.043 228 Y HN 0.207 nan 8.280 nan 0.000 0.528 229 A N -0.665 122.166 122.820 0.019 0.000 2.497 229 A HA 0.435 4.756 4.320 0.002 0.000 0.280 229 A C -2.432 175.165 177.584 0.022 0.000 1.065 229 A CA -1.210 50.673 52.037 -0.256 0.000 0.781 229 A CB 0.809 19.200 19.000 -1.017 0.000 1.289 229 A HN -0.067 nan 8.150 nan 0.000 0.415 230 P HA -0.159 nan 4.420 nan 0.000 0.219 230 P C 1.497 178.881 177.300 0.140 0.000 1.146 230 P CA 2.009 65.181 63.100 0.120 0.000 0.808 230 P CB 0.211 31.943 31.700 0.053 0.000 0.779 231 S N -2.990 112.744 115.700 0.057 0.000 2.603 231 S HA -0.113 4.358 4.470 0.002 0.000 0.229 231 S C 1.525 176.137 174.600 0.019 0.000 0.972 231 S CA 0.296 58.535 58.200 0.066 0.000 0.935 231 S CB -1.470 61.796 63.200 0.111 0.000 0.769 231 S HN 0.108 nan 8.310 nan 0.000 0.536 232 Y N 1.145 121.388 120.300 -0.096 0.000 2.333 232 Y HA 0.178 4.729 4.550 0.001 0.000 0.290 232 Y C 0.554 175.983 175.900 -0.785 0.000 1.144 232 Y CA 0.506 58.324 58.100 -0.470 0.000 1.228 232 Y CB -0.182 37.751 38.460 -0.879 0.000 0.985 232 Y HN 0.288 nan 8.280 nan 0.000 0.542 233 F N -2.079 117.936 119.950 0.107 0.000 2.575 233 F HA 0.527 5.054 4.527 0.001 0.000 0.330 233 F C 0.344 176.095 175.800 -0.080 0.000 1.056 233 F CA -1.343 56.650 58.000 -0.012 0.000 0.964 233 F CB 1.479 40.465 39.000 -0.024 0.000 1.258 233 F HN -0.523 nan 8.300 nan 0.000 0.484 234 T N -0.649 113.900 114.554 -0.008 0.000 2.907 234 T HA 0.316 4.667 4.350 0.002 0.000 0.292 234 T C -0.105 174.475 174.700 -0.200 0.000 1.043 234 T CA -0.636 61.374 62.100 -0.151 0.000 1.003 234 T CB 1.106 69.811 68.868 -0.270 0.000 1.084 234 T HN 0.682 nan 8.240 nan 0.000 0.483 235 D N 2.032 122.360 120.400 -0.121 0.000 2.339 235 D HA 0.046 4.687 4.640 0.002 0.000 0.217 235 D C 1.617 177.866 176.300 -0.085 0.000 1.050 235 D CA -0.031 53.916 54.000 -0.089 0.000 0.856 235 D CB -0.107 40.672 40.800 -0.035 0.000 0.922 235 D HN 0.512 nan 8.370 nan 0.000 0.518 236 R N -0.161 120.256 120.500 -0.138 0.000 2.096 236 R HA -0.020 4.321 4.340 0.002 0.000 0.235 236 R C -0.215 176.154 176.300 0.115 0.000 1.127 236 R CA 0.944 57.038 56.100 -0.009 0.000 0.968 236 R CB -0.028 30.299 30.300 0.045 0.000 0.861 236 R HN 0.314 nan 8.270 nan 0.000 0.440 237 F N -3.149 116.845 119.950 0.073 0.000 2.662 237 F HA 0.611 5.139 4.527 0.001 0.000 0.312 237 F C -1.107 174.739 175.800 0.076 0.000 1.113 237 F CA -1.271 56.772 58.000 0.072 0.000 0.951 237 F CB 1.323 40.377 39.000 0.091 0.000 1.344 237 F HN -0.355 nan 8.300 nan 0.000 0.462 238 S N 0.318 116.182 115.700 0.273 0.000 2.648 238 S HA 0.771 5.242 4.470 0.002 0.000 0.305 238 S C -0.723 174.009 174.600 0.220 0.000 1.094 238 S CA -0.759 57.536 58.200 0.160 0.000 0.983 238 S CB 1.841 65.075 63.200 0.057 0.000 1.101 238 S HN 0.732 nan 8.310 nan 0.000 0.514 239 S N 0.715 116.510 115.700 0.158 0.000 2.718 239 S HA 0.577 5.048 4.470 0.002 0.000 0.292 239 S C 1.539 176.076 174.600 -0.104 0.000 1.125 239 S CA -0.246 58.008 58.200 0.090 0.000 1.013 239 S CB 0.694 64.037 63.200 0.239 0.000 1.192 239 S HN 0.828 nan 8.310 nan 0.000 0.535 240 A N -0.583 122.039 122.820 -0.330 0.000 2.019 240 A HA -0.053 4.268 4.320 0.002 0.000 0.219 240 A C 1.342 178.545 177.584 -0.634 0.000 1.164 240 A CA 1.250 52.900 52.037 -0.645 0.000 0.644 240 A CB -0.580 17.786 19.000 -1.058 0.000 0.805 240 A HN 0.874 nan 8.150 nan 0.000 0.449 241 W N -2.102 119.151 121.300 -0.078 0.000 2.901 241 W HA 0.432 5.093 4.660 0.002 0.000 0.281 241 W C 1.000 177.488 176.519 -0.052 0.000 1.167 241 W CA 0.316 57.636 57.345 -0.043 0.000 1.506 241 W CB 0.591 30.078 29.460 0.044 0.000 0.985 241 W HN 0.489 nan 8.180 nan 0.000 0.590 245 L N 1.686 123.157 121.223 0.413 0.000 2.361 245 L HA 0.334 4.675 4.340 0.002 0.000 0.278 245 L C 0.124 176.942 176.870 -0.087 0.000 1.113 245 L CA -0.359 54.584 54.840 0.173 0.000 0.849 245 L CB 1.225 43.323 42.059 0.064 0.000 1.155 245 L HN 0.506 nan 8.230 nan 0.000 0.452 246 D N 2.457 122.748 120.400 -0.182 0.000 2.468 246 D HA 0.039 4.680 4.640 0.002 0.000 0.218 246 D C 0.425 176.670 176.300 -0.091 0.000 1.155 246 D CA -0.170 53.781 54.000 -0.081 0.000 0.924 246 D CB 0.319 41.086 40.800 -0.056 0.000 1.029 246 D HN 0.328 nan 8.370 nan 0.000 0.515 247 Y N 1.637 122.048 120.300 0.185 0.000 2.632 247 Y HA 0.082 4.633 4.550 0.002 0.000 0.301 247 Y C 2.190 178.121 175.900 0.052 0.000 1.172 247 Y CA 0.356 58.516 58.100 0.100 0.000 1.328 247 Y CB -0.244 38.247 38.460 0.052 0.000 1.016 247 Y HN 0.522 nan 8.280 nan 0.000 0.529 248 A N -0.365 122.555 122.820 0.166 0.000 2.119 248 A HA -0.061 4.260 4.320 0.002 0.000 0.216 248 A C 0.891 178.506 177.584 0.052 0.000 1.152 248 A CA 0.496 52.592 52.037 0.099 0.000 0.708 248 A CB -0.268 18.785 19.000 0.088 0.000 0.805 248 A HN 0.195 nan 8.150 nan 0.000 0.460 249 E N 0.328 120.553 120.200 0.043 0.000 2.089 249 E HA 0.360 4.711 4.350 0.002 0.000 0.284 249 E C -2.063 174.515 176.600 -0.036 0.000 1.023 249 E CA -2.777 53.613 56.400 -0.016 0.000 0.819 249 E CB 1.002 30.689 29.700 -0.023 0.000 1.076 249 E HN 0.043 nan 8.360 nan 0.000 0.396 250 P HA -0.161 nan 4.420 nan 0.000 0.217 250 P C 0.010 177.203 177.300 -0.178 0.000 1.148 250 P CA 1.195 64.195 63.100 -0.167 0.000 0.828 250 P CB 0.030 31.553 31.700 -0.294 0.000 0.783 254 R N 0.480 121.154 120.500 0.290 0.000 2.189 254 R HA -0.031 4.309 4.340 0.002 0.000 0.223 254 R C 1.747 178.357 176.300 0.517 0.000 1.092 254 R CA 1.446 57.757 56.100 0.351 0.000 0.989 254 R CB -0.141 30.274 30.300 0.193 0.000 0.876 254 R HN 0.184 nan 8.270 nan 0.000 0.457 255 Y N 1.296 121.865 120.300 0.448 0.000 2.128 255 Y HA -0.275 4.276 4.550 0.002 0.000 0.284 255 Y C 2.185 178.273 175.900 0.313 0.000 1.154 255 Y CA 1.827 60.217 58.100 0.483 0.000 1.149 255 Y CB -0.049 38.620 38.460 0.349 0.000 0.976 255 Y HN -0.081 nan 8.280 nan 0.000 0.505 256 V N -2.401 117.688 119.914 0.292 0.000 2.535 256 V HA -0.119 4.002 4.120 0.002 0.000 0.246 256 V C 2.158 178.101 176.094 -0.251 0.000 1.045 256 V CA 1.954 64.119 62.300 -0.226 0.000 1.058 256 V CB -1.484 30.000 31.823 -0.567 0.000 0.689 256 V HN 0.552 nan 8.190 nan 0.000 0.461 257 T N -1.178 113.386 114.554 0.018 0.000 2.821 257 T HA 0.022 4.373 4.350 0.002 0.000 0.267 257 T C 2.077 176.777 174.700 0.000 0.000 1.046 257 T CA 1.541 63.683 62.100 0.071 0.000 1.139 257 T CB -1.094 67.908 68.868 0.223 0.000 0.871 257 T HN 0.661 nan 8.240 nan 0.000 0.454 258 G N 1.424 110.229 108.800 0.009 0.000 2.422 258 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 258 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 258 G C 1.654 176.465 174.900 -0.148 0.000 1.146 258 G CA 0.763 45.674 45.100 -0.315 0.000 0.769 258 G HN 0.621 nan 8.290 nan 0.000 0.547 259 N N 1.063 119.579 118.700 -0.307 0.000 2.106 259 N HA -0.088 4.653 4.740 0.002 0.000 0.188 259 N C 2.580 177.952 175.510 -0.231 0.000 1.029 259 N CA 1.241 53.869 53.050 -0.704 0.000 0.848 259 N CB -0.166 37.874 38.487 -0.744 0.000 1.007 259 N HN 0.226 nan 8.380 nan 0.000 0.423 260 A N 1.863 124.686 122.820 0.005 0.000 1.908 260 A HA -0.112 4.209 4.320 0.002 0.000 0.218 260 A C 1.520 179.116 177.584 0.018 0.000 1.181 260 A CA 0.747 52.869 52.037 0.142 0.000 0.627 260 A CB -0.463 18.617 19.000 0.133 0.000 0.818 260 A HN 0.356 nan 8.150 nan 0.000 0.445 264 L N 0.963 122.326 121.223 0.234 0.000 2.023 264 L HA -0.029 4.311 4.340 0.002 0.000 0.205 264 L C 2.552 179.421 176.870 -0.002 0.000 1.073 264 L CA 1.756 56.603 54.840 0.011 0.000 0.745 264 L CB -0.707 41.070 42.059 -0.470 0.000 0.900 264 L HN 0.013 nan 8.230 nan 0.000 0.435 265 R N 0.013 120.479 120.500 -0.057 0.000 2.062 265 R HA -0.111 4.230 4.340 0.002 0.000 0.226 265 R C 1.643 177.947 176.300 0.006 0.000 1.125 265 R CA 1.555 57.623 56.100 -0.053 0.000 0.966 265 R CB 0.029 30.288 30.300 -0.068 0.000 0.861 265 R HN 0.298 nan 8.270 nan 0.000 0.433 266 D N -0.846 119.510 120.400 -0.074 0.000 2.271 266 D HA -0.066 4.575 4.640 0.002 0.000 0.206 266 D C 0.798 176.962 176.300 -0.227 0.000 0.967 266 D CA 0.971 54.791 54.000 -0.299 0.000 0.867 266 D CB 0.209 40.393 40.800 -1.027 0.000 0.960 266 D HN 0.315 nan 8.370 nan 0.000 0.509 267 Y N -0.511 119.883 120.300 0.156 0.000 2.467 267 Y HA 0.178 4.729 4.550 0.002 0.000 0.250 267 Y C 0.291 176.281 175.900 0.151 0.000 1.155 267 Y CA -0.081 58.190 58.100 0.285 0.000 1.249 267 Y CB -0.019 38.743 38.460 0.505 0.000 1.146 267 Y HN 0.085 nan 8.280 nan 0.000 0.524 268 H N -2.456 116.595 119.070 -0.032 0.000 2.992 268 H HA -0.205 4.351 4.556 0.001 0.000 0.266 268 H C -0.179 175.192 175.328 0.071 0.000 1.200 268 H CA -0.000 55.960 56.048 -0.147 0.000 1.135 268 H CB -1.837 27.531 29.762 -0.658 0.000 1.282 268 H HN 0.193 nan 8.280 nan 0.000 0.351 269 F N 1.186 121.276 119.950 0.234 0.000 2.545 269 F HA -0.061 4.467 4.527 0.002 0.000 0.348 269 F C 1.863 177.762 175.800 0.165 0.000 1.163 269 F CA 0.681 58.770 58.000 0.148 0.000 1.331 269 F CB 0.440 39.472 39.000 0.053 0.000 1.138 269 F HN 0.088 nan 8.300 nan 0.000 0.602 270 D N 0.759 121.301 120.400 0.237 0.000 2.367 270 D HA 0.213 4.853 4.640 0.002 0.000 0.207 270 D C 0.751 176.836 176.300 -0.358 0.000 1.034 270 D CA 0.607 54.639 54.000 0.054 0.000 0.861 270 D CB 0.619 41.509 40.800 0.150 0.000 0.943 270 D HN 0.612 nan 8.370 nan 0.000 0.515 271 G N 0.033 108.476 108.800 -0.594 0.000 2.466 271 G HA2 0.486 4.447 3.960 0.002 0.000 0.291 271 G HA3 0.486 4.447 3.960 0.002 0.000 0.291 271 G C -1.905 172.817 174.900 -0.297 0.000 1.460 271 G CA -0.782 43.961 45.100 -0.594 0.000 0.791 271 G HN 0.003 nan 8.290 nan 0.000 0.505 272 L N 0.361 121.532 121.223 -0.086 0.000 2.381 272 L HA 0.698 5.039 4.340 0.002 0.000 0.268 272 L C 0.094 176.943 176.870 -0.035 0.000 0.997 272 L CA -1.088 53.684 54.840 -0.113 0.000 0.818 272 L CB 2.422 44.386 42.059 -0.159 0.000 1.310 272 L HN 0.510 nan 8.230 nan 0.000 0.416 273 R N 3.510 123.922 120.500 -0.147 0.000 2.288 273 R HA 0.476 4.817 4.340 0.002 0.000 0.326 273 R C -1.407 174.684 176.300 -0.348 0.000 0.959 273 R CA -0.598 55.355 56.100 -0.246 0.000 0.834 273 R CB 0.812 30.910 30.300 -0.336 0.000 1.157 273 R HN 0.651 nan 8.270 nan 0.000 0.470 274 L N 4.280 125.322 121.223 -0.302 0.000 2.325 274 L HA 0.166 4.507 4.340 0.002 0.000 0.284 274 L C 0.398 177.101 176.870 -0.279 0.000 1.089 274 L CA -0.495 54.169 54.840 -0.294 0.000 0.836 274 L CB 0.612 42.573 42.059 -0.163 0.000 1.184 274 L HN 0.540 nan 8.230 nan 0.000 0.444 275 D N 3.669 123.916 120.400 -0.254 0.000 2.443 275 D HA 0.252 4.893 4.640 0.002 0.000 0.239 275 D C 0.791 177.069 176.300 -0.037 0.000 1.136 275 D CA 0.638 54.557 54.000 -0.135 0.000 0.879 275 D CB 0.898 41.699 40.800 0.002 0.000 1.195 275 D HN 0.752 nan 8.370 nan 0.000 0.443 276 A N 2.853 125.668 122.820 -0.008 0.000 2.511 276 A HA -0.226 4.095 4.320 0.002 0.000 0.297 276 A C 1.579 179.202 177.584 0.066 0.000 1.476 276 A CA 1.474 53.581 52.037 0.117 0.000 0.757 276 A CB -2.388 16.788 19.000 0.294 0.000 1.072 276 A HN 0.821 nan 8.150 nan 0.000 0.413 277 T N -2.643 111.867 114.554 -0.072 0.000 2.849 277 T HA -0.058 4.293 4.350 0.002 0.000 0.270 277 T C -0.272 174.300 174.700 -0.214 0.000 1.066 277 T CA 1.372 63.413 62.100 -0.098 0.000 1.130 277 T CB -1.069 67.726 68.868 -0.121 0.000 0.864 277 T HN 0.507 nan 8.240 nan 0.000 0.481 278 P HA 0.045 nan 4.420 nan 0.000 0.225 278 P C -0.182 176.676 177.300 -0.735 0.000 1.148 278 P CA 0.779 63.442 63.100 -0.729 0.000 0.779 278 P CB -0.144 30.835 31.700 -1.201 0.000 0.780 282 D N 1.095 121.503 120.400 0.014 0.000 2.931 282 D HA 0.329 4.970 4.640 0.002 0.000 0.215 282 D C -0.650 175.654 176.300 0.006 0.000 1.297 282 D CA -0.482 53.495 54.000 -0.038 0.000 0.892 282 D CB 1.474 42.011 40.800 -0.437 0.000 1.642 282 D HN 0.362 nan 8.370 nan 0.000 0.560 283 D N 1.453 121.890 120.400 0.062 0.000 2.363 283 D HA 0.092 4.733 4.640 0.002 0.000 0.214 283 D C 0.076 176.413 176.300 0.062 0.000 1.093 283 D CA -0.044 54.000 54.000 0.074 0.000 0.837 283 D CB 0.531 41.380 40.800 0.081 0.000 0.948 283 D HN 0.189 nan 8.370 nan 0.000 0.507 284 S N 0.950 116.674 115.700 0.041 0.000 2.566 284 S HA -0.068 4.403 4.470 0.002 0.000 0.280 284 S C 1.566 176.194 174.600 0.047 0.000 1.343 284 S CA -0.168 58.054 58.200 0.038 0.000 1.036 284 S CB 1.935 65.148 63.200 0.022 0.000 0.866 284 S HN 0.270 nan 8.310 nan 0.000 0.526 285 E N 1.485 121.712 120.200 0.045 0.000 2.058 285 E HA -0.152 4.198 4.350 0.002 0.000 0.194 285 E C -0.021 176.615 176.600 0.060 0.000 0.997 285 E CA 1.058 57.488 56.400 0.049 0.000 0.801 285 E CB 0.074 29.799 29.700 0.042 0.000 0.746 285 E HN 0.579 nan 8.360 nan 0.000 0.450 286 T N 1.344 115.932 114.554 0.057 0.000 2.733 286 T HA 0.079 4.430 4.350 0.002 0.000 0.294 286 T C -0.473 174.267 174.700 0.067 0.000 0.956 286 T CA -0.414 61.727 62.100 0.069 0.000 0.987 286 T CB 0.905 69.815 68.868 0.069 0.000 0.920 286 T HN 0.196 nan 8.240 nan 0.000 0.470 287 H N 3.039 122.103 119.070 -0.010 0.000 2.790 287 H HA 0.078 4.635 4.556 0.001 0.000 0.358 287 H C 1.212 176.502 175.328 -0.063 0.000 1.103 287 H CA -0.374 55.654 56.048 -0.033 0.000 1.426 287 H CB 0.740 30.470 29.762 -0.055 0.000 1.424 287 H HN 0.530 nan 8.280 nan 0.000 0.599 288 I N 4.435 124.787 120.570 -0.363 0.000 2.315 288 I HA -0.279 3.892 4.170 0.002 0.000 0.251 288 I C 2.097 178.175 176.117 -0.065 0.000 1.125 288 I CA 1.230 62.367 61.300 -0.273 0.000 1.392 288 I CB -0.340 37.238 38.000 -0.704 0.000 1.065 288 I HN 0.654 nan 8.210 nan 0.000 0.424 289 L N -0.648 120.703 121.223 0.214 0.000 2.083 289 L HA -0.209 4.132 4.340 0.002 0.000 0.209 289 L C 2.363 179.247 176.870 0.024 0.000 1.083 289 L CA 1.793 56.690 54.840 0.096 0.000 0.752 289 L CB -1.097 40.995 42.059 0.055 0.000 0.899 289 L HN 0.209 nan 8.230 nan 0.000 0.433 290 T N -1.083 113.499 114.554 0.048 0.000 2.746 290 T HA -0.244 4.106 4.350 0.002 0.000 0.267 290 T C 1.772 176.448 174.700 -0.040 0.000 1.039 290 T CA 1.542 63.651 62.100 0.016 0.000 1.142 290 T CB -0.115 68.781 68.868 0.046 0.000 0.866 290 T HN 0.377 nan 8.240 nan 0.000 0.444 291 E N 0.546 120.725 120.200 -0.034 0.000 2.106 291 E HA -0.053 4.298 4.350 0.002 0.000 0.192 291 E C 2.146 178.684 176.600 -0.104 0.000 0.984 291 E CA 0.568 56.927 56.400 -0.069 0.000 0.806 291 E CB -0.194 29.514 29.700 0.012 0.000 0.750 291 E HN 0.413 nan 8.360 nan 0.000 0.458 292 L N 0.461 121.642 121.223 -0.070 0.000 2.012 292 L HA -0.211 4.130 4.340 0.002 0.000 0.210 292 L C 2.632 179.415 176.870 -0.145 0.000 1.073 292 L CA 1.354 56.155 54.840 -0.065 0.000 0.748 292 L CB -0.422 41.627 42.059 -0.017 0.000 0.891 292 L HN 0.236 nan 8.230 nan 0.000 0.431 293 A N -0.771 121.944 122.820 -0.174 0.000 1.902 293 A HA -0.260 4.061 4.320 0.002 0.000 0.217 293 A C 2.177 179.476 177.584 -0.475 0.000 1.181 293 A CA 1.624 53.462 52.037 -0.332 0.000 0.623 293 A CB -0.465 18.447 19.000 -0.148 0.000 0.818 293 A HN 0.498 nan 8.150 nan 0.000 0.443 294 Q N -0.680 118.889 119.800 -0.385 0.000 2.050 294 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 294 Q C 1.995 177.642 176.000 -0.587 0.000 0.980 294 Q CA 1.433 56.841 55.803 -0.658 0.000 0.840 294 Q CB -0.165 27.766 28.738 -1.345 0.000 0.898 294 Q HN 0.598 nan 8.270 nan 0.000 0.424 295 E N 0.451 120.438 120.200 -0.355 0.000 2.150 295 E HA -0.143 4.208 4.350 0.002 0.000 0.193 295 E C 1.973 178.570 176.600 -0.004 0.000 0.985 295 E CA 0.863 57.268 56.400 0.009 0.000 0.814 295 E CB -0.016 29.759 29.700 0.124 0.000 0.752 295 E HN 0.417 nan 8.360 nan 0.000 0.466 296 I N 0.089 120.584 120.570 -0.125 0.000 2.233 296 I HA -0.230 3.941 4.170 0.002 0.000 0.243 296 I C 2.101 178.202 176.117 -0.027 0.000 1.093 296 I CA 1.041 62.269 61.300 -0.120 0.000 1.380 296 I CB -0.322 37.568 38.000 -0.185 0.000 1.067 296 I HN 0.130 nan 8.210 nan 0.000 0.413 297 H N -0.160 118.908 119.070 -0.002 0.000 2.457 297 H HA -0.175 4.382 4.556 0.002 0.000 0.297 297 H C 2.065 177.424 175.328 0.051 0.000 1.092 297 H CA 0.910 56.967 56.048 0.015 0.000 1.309 297 H CB 0.093 29.830 29.762 -0.043 0.000 1.382 297 H HN 0.264 nan 8.280 nan 0.000 0.535 298 E N 1.487 121.795 120.200 0.180 0.000 2.268 298 E HA -0.129 4.221 4.350 0.002 0.000 0.195 298 E C 1.848 178.541 176.600 0.155 0.000 0.995 298 E CA 0.439 56.966 56.400 0.212 0.000 0.836 298 E CB -0.003 29.902 29.700 0.342 0.000 0.763 298 E HN 0.557 nan 8.360 nan 0.000 0.491 299 L N -0.244 121.059 121.223 0.135 0.000 2.450 299 L HA -0.057 4.284 4.340 0.002 0.000 0.224 299 L C 1.523 178.470 176.870 0.127 0.000 1.149 299 L CA 0.729 55.638 54.840 0.116 0.000 0.816 299 L CB -0.535 41.575 42.059 0.086 0.000 0.932 299 L HN 0.270 nan 8.230 nan 0.000 0.449 300 G N -0.026 108.851 108.800 0.127 0.000 2.221 300 G HA2 -0.193 3.768 3.960 0.002 0.000 0.265 300 G HA3 -0.193 3.768 3.960 0.002 0.000 0.265 300 G C 0.364 175.288 174.900 0.040 0.000 1.041 300 G CA 0.096 45.239 45.100 0.073 0.000 0.807 300 G HN 0.559 nan 8.290 nan 0.000 0.502 301 G N -1.596 107.241 108.800 0.063 0.000 3.122 301 G HA2 0.777 4.738 3.960 0.002 0.000 0.180 301 G HA3 0.777 4.738 3.960 0.002 0.000 0.180 301 G C 0.779 175.560 174.900 -0.197 0.000 1.279 301 G CA 0.807 45.817 45.100 -0.151 0.000 0.987 301 G HN 1.222 nan 8.290 nan 0.000 0.589 302 T N -2.229 112.068 114.554 -0.428 0.000 3.252 302 T HA 0.308 4.659 4.350 0.002 0.000 0.286 302 T C -0.028 174.554 174.700 -0.198 0.000 1.013 302 T CA -0.307 61.647 62.100 -0.244 0.000 0.914 302 T CB -0.679 68.051 68.868 -0.231 0.000 1.131 302 T HN 0.431 nan 8.240 nan 0.000 0.529 303 H N 1.211 120.290 119.070 0.014 0.000 2.871 303 H HA 0.498 5.055 4.556 0.002 0.000 0.355 303 H C 0.222 175.571 175.328 0.035 0.000 1.092 303 H CA -0.203 55.843 56.048 -0.004 0.000 1.420 303 H CB 0.474 30.229 29.762 -0.012 0.000 1.400 303 H HN 0.260 nan 8.280 nan 0.000 0.604 304 L N 2.813 124.117 121.223 0.135 0.000 2.334 304 L HA 0.476 4.817 4.340 0.002 0.000 0.270 304 L C -0.513 176.446 176.870 0.148 0.000 1.018 304 L CA -0.756 54.198 54.840 0.189 0.000 0.811 304 L CB 1.234 43.513 42.059 0.367 0.000 1.271 304 L HN 0.355 nan 8.230 nan 0.000 0.443 305 L N 3.216 124.529 121.223 0.149 0.000 2.381 305 L HA 0.508 4.849 4.340 0.002 0.000 0.274 305 L C -1.165 175.778 176.870 0.121 0.000 0.988 305 L CA -0.599 54.298 54.840 0.095 0.000 0.824 305 L CB 2.127 44.200 42.059 0.024 0.000 1.263 305 L HN 0.293 nan 8.230 nan 0.000 0.410 306 L N 2.800 124.085 121.223 0.103 0.000 2.341 306 L HA 0.639 4.980 4.340 0.002 0.000 0.278 306 L C 0.182 177.021 176.870 -0.051 0.000 1.005 306 L CA -0.388 54.501 54.840 0.082 0.000 0.818 306 L CB 1.753 43.898 42.059 0.143 0.000 1.259 306 L HN 0.658 nan 8.230 nan 0.000 0.418 307 A N 2.950 125.747 122.820 -0.038 0.000 2.289 307 A HA 0.344 4.665 4.320 0.002 0.000 0.298 307 A C 0.258 177.756 177.584 -0.144 0.000 1.208 307 A CA -0.460 51.514 52.037 -0.105 0.000 0.845 307 A CB 0.405 19.359 19.000 -0.076 0.000 1.125 307 A HN 0.723 nan 8.150 nan 0.000 0.517 308 E N 2.729 122.767 120.200 -0.270 0.000 1.941 308 E HA 0.108 4.458 4.350 0.002 0.000 0.275 308 E C -1.290 175.235 176.600 -0.125 0.000 1.113 308 E CA 0.020 56.284 56.400 -0.227 0.000 0.878 308 E CB 0.263 29.743 29.700 -0.367 0.000 1.070 308 E HN 0.659 nan 8.360 nan 0.000 0.399 309 D N 2.870 123.225 120.400 -0.076 0.000 2.863 309 D HA 0.041 4.682 4.640 0.002 0.000 0.245 309 D C 0.166 176.357 176.300 -0.181 0.000 1.211 309 D CA -0.456 53.424 54.000 -0.201 0.000 0.888 309 D CB 0.855 41.532 40.800 -0.206 0.000 1.483 309 D HN 0.658 nan 8.370 nan 0.000 0.533 310 H N 1.787 120.756 119.070 -0.168 0.000 2.539 310 H HA 0.287 4.844 4.556 0.001 0.000 0.269 310 H C 1.029 176.172 175.328 -0.309 0.000 0.980 310 H CA 0.205 56.123 56.048 -0.216 0.000 1.152 310 H CB 0.101 29.735 29.762 -0.214 0.000 1.407 310 H HN 0.155 nan 8.280 nan 0.000 0.564 311 R N 0.465 120.754 120.500 -0.352 0.000 2.299 311 R HA 0.029 4.370 4.340 0.002 0.000 0.197 311 R C -0.188 175.897 176.300 -0.359 0.000 0.971 311 R CA 0.333 56.273 56.100 -0.266 0.000 1.030 311 R CB -0.070 30.072 30.300 -0.263 0.000 0.932 311 R HN 0.232 nan 8.270 nan 0.000 0.477 312 N N 0.754 119.062 118.700 -0.653 0.000 2.696 312 N HA -0.184 4.557 4.740 0.002 0.000 0.256 312 N C -1.434 173.618 175.510 -0.763 0.000 1.031 312 N CA 0.700 52.833 53.050 -1.529 0.000 0.730 312 N CB -0.894 36.577 38.487 -1.693 0.000 0.894 312 N HN 0.096 nan 8.380 nan 0.000 0.544 313 L N 1.106 122.108 121.223 -0.369 0.000 2.324 313 L HA 0.494 4.835 4.340 0.002 0.000 0.274 313 L C -1.464 175.440 176.870 0.057 0.000 1.012 313 L CA -1.752 53.015 54.840 -0.122 0.000 0.859 313 L CB 1.425 43.343 42.059 -0.235 0.000 1.224 313 L HN -0.117 nan 8.230 nan 0.000 0.429 314 P HA -0.085 nan 4.420 nan 0.000 0.226 314 P C 0.367 177.652 177.300 -0.026 0.000 1.153 314 P CA 0.820 64.007 63.100 0.145 0.000 0.777 314 P CB 0.402 32.183 31.700 0.136 0.000 0.794 315 D N 0.010 120.347 120.400 -0.104 0.000 2.265 315 D HA -0.104 4.537 4.640 0.002 0.000 0.208 315 D C 2.036 178.230 176.300 -0.176 0.000 0.977 315 D CA 0.691 54.596 54.000 -0.158 0.000 0.871 315 D CB -0.779 39.900 40.800 -0.202 0.000 0.925 315 D HN 0.216 nan 8.370 nan 0.000 0.485 316 L N -0.192 120.943 121.223 -0.148 0.000 2.079 316 L HA -0.174 4.167 4.340 0.002 0.000 0.210 316 L C 2.280 179.079 176.870 -0.118 0.000 1.081 316 L CA 0.719 55.474 54.840 -0.142 0.000 0.752 316 L CB -0.175 41.821 42.059 -0.105 0.000 0.896 316 L HN 0.005 nan 8.230 nan 0.000 0.433 317 V N -1.119 118.737 119.914 -0.097 0.000 2.426 317 V HA -0.152 3.969 4.120 0.002 0.000 0.242 317 V C 2.489 178.511 176.094 -0.120 0.000 1.036 317 V CA 1.970 64.224 62.300 -0.077 0.000 1.044 317 V CB -0.318 31.462 31.823 -0.072 0.000 0.688 317 V HN 0.613 nan 8.190 nan 0.000 0.462 318 T N -3.130 111.339 114.554 -0.143 0.000 3.081 318 T HA 0.067 4.418 4.350 0.002 0.000 0.255 318 T C 1.383 175.896 174.700 -0.311 0.000 1.113 318 T CA 1.063 63.078 62.100 -0.143 0.000 1.082 318 T CB 0.626 69.446 68.868 -0.080 0.000 0.939 318 T HN 0.203 nan 8.240 nan 0.000 0.506 319 V N 1.167 120.838 119.914 -0.404 0.000 3.058 319 V HA 0.207 4.328 4.120 0.002 0.000 0.233 319 V C 1.898 177.640 176.094 -0.586 0.000 1.255 319 V CA 0.516 62.548 62.300 -0.446 0.000 1.267 319 V CB -0.244 31.441 31.823 -0.230 0.000 1.049 319 V HN 0.352 nan 8.190 nan 0.000 0.486 320 N N -0.592 117.874 118.700 -0.389 0.000 2.494 320 N HA -0.043 4.698 4.740 0.002 0.000 0.182 320 N C 0.142 175.569 175.510 -0.138 0.000 1.076 320 N CA 0.544 53.456 53.050 -0.230 0.000 0.908 320 N CB 0.022 38.409 38.487 -0.167 0.000 0.967 320 N HN 0.449 nan 8.380 nan 0.000 0.449 321 H N -1.268 117.797 119.070 -0.009 0.000 2.936 321 H HA -0.130 4.427 4.556 0.002 0.000 0.276 321 H C -0.284 175.076 175.328 0.054 0.000 1.216 321 H CA 0.456 56.526 56.048 0.037 0.000 1.132 321 H CB -2.119 27.692 29.762 0.082 0.000 1.303 321 H HN 0.265 nan 8.280 nan 0.000 0.370 322 L N 0.400 121.658 121.223 0.057 0.000 2.472 322 L HA 0.070 4.411 4.340 0.002 0.000 0.260 322 L C 1.711 178.627 176.870 0.077 0.000 1.209 322 L CA 0.099 54.971 54.840 0.054 0.000 0.817 322 L CB 0.420 42.482 42.059 0.005 0.000 1.106 322 L HN 0.028 nan 8.230 nan 0.000 0.479 323 D N 0.035 120.493 120.400 0.098 0.000 2.301 323 D HA 0.174 4.815 4.640 0.002 0.000 0.206 323 D C 0.616 176.962 176.300 0.076 0.000 0.979 323 D CA 0.636 54.701 54.000 0.107 0.000 0.874 323 D CB 1.104 42.002 40.800 0.163 0.000 0.968 323 D HN 0.703 nan 8.370 nan 0.000 0.510 324 G N 0.022 108.869 108.800 0.079 0.000 2.451 324 G HA2 0.520 4.481 3.960 0.002 0.000 0.292 324 G HA3 0.520 4.481 3.960 0.002 0.000 0.292 324 G C -1.863 173.096 174.900 0.099 0.000 1.427 324 G CA -0.747 44.389 45.100 0.060 0.000 0.792 324 G HN -0.002 nan 8.290 nan 0.000 0.498 325 I N -0.416 120.228 120.570 0.124 0.000 2.569 325 I HA 0.331 4.501 4.170 0.002 0.000 0.290 325 I C -1.043 175.287 176.117 0.354 0.000 1.088 325 I CA -0.629 60.789 61.300 0.196 0.000 1.047 325 I CB 2.357 40.464 38.000 0.178 0.000 1.237 325 I HN 0.419 nan 8.210 nan 0.000 0.421 326 W N 4.808 126.144 121.300 0.060 0.000 2.529 326 W HA 0.276 4.937 4.660 0.002 0.000 0.319 326 W C 0.824 177.421 176.519 0.129 0.000 1.362 326 W CA -0.271 57.123 57.345 0.082 0.000 1.348 326 W CB 0.537 30.002 29.460 0.008 0.000 1.403 326 W HN 0.289 nan 8.180 nan 0.000 0.519 327 T N 2.864 117.656 114.554 0.396 0.000 2.786 327 T HA 0.212 4.563 4.350 0.002 0.000 0.283 327 T C 0.533 175.378 174.700 0.242 0.000 0.992 327 T CA -0.694 61.638 62.100 0.387 0.000 0.954 327 T CB 0.882 70.167 68.868 0.695 0.000 0.934 327 T HN 0.294 nan 8.240 nan 0.000 0.440 328 D N 3.075 123.509 120.400 0.056 0.000 2.348 328 D HA 0.025 4.666 4.640 0.002 0.000 0.211 328 D C 1.165 177.256 176.300 -0.348 0.000 0.998 328 D CA 0.291 54.137 54.000 -0.256 0.000 0.873 328 D CB 0.331 40.758 40.800 -0.622 0.000 0.925 328 D HN 0.629 nan 8.370 nan 0.000 0.524 329 D N 0.362 120.770 120.400 0.014 0.000 2.149 329 D HA -0.174 4.467 4.640 0.002 0.000 0.198 329 D C 1.717 178.024 176.300 0.012 0.000 0.990 329 D CA 0.517 54.615 54.000 0.163 0.000 0.839 329 D CB -0.363 40.734 40.800 0.496 0.000 0.948 329 D HN 0.231 nan 8.370 nan 0.000 0.460 330 F N 1.267 121.096 119.950 -0.202 0.000 2.075 330 F HA -0.242 4.286 4.527 0.001 0.000 0.297 330 F C 2.440 178.076 175.800 -0.273 0.000 1.113 330 F CA 1.705 59.462 58.000 -0.404 0.000 1.218 330 F CB -0.387 37.911 39.000 -1.170 0.000 0.984 330 F HN 0.079 nan 8.300 nan 0.000 0.472 331 H N -0.468 118.481 119.070 -0.202 0.000 2.289 331 H HA -0.219 4.338 4.556 0.001 0.000 0.296 331 H C 2.201 177.468 175.328 -0.102 0.000 1.091 331 H CA 2.512 58.464 56.048 -0.161 0.000 1.274 331 H CB -0.645 29.071 29.762 -0.076 0.000 1.364 331 H HN 0.349 nan 8.280 nan 0.000 0.490 332 H N 0.270 119.247 119.070 -0.156 0.000 2.357 332 H HA -0.064 4.493 4.556 0.001 0.000 0.301 332 H C 2.388 177.469 175.328 -0.411 0.000 1.082 332 H CA 1.387 57.295 56.048 -0.232 0.000 1.342 332 H CB -0.434 28.917 29.762 -0.685 0.000 1.389 332 H HN 0.453 nan 8.280 nan 0.000 0.511 333 E N 0.250 120.249 120.200 -0.336 0.000 2.110 333 E HA -0.115 4.236 4.350 0.002 0.000 0.193 333 E C 2.040 178.508 176.600 -0.221 0.000 0.988 333 E CA 1.641 57.944 56.400 -0.163 0.000 0.804 333 E CB 0.009 29.669 29.700 -0.068 0.000 0.745 333 E HN 0.335 nan 8.360 nan 0.000 0.458 334 T N -0.036 114.277 114.554 -0.400 0.000 2.737 334 T HA -0.159 4.192 4.350 0.002 0.000 0.265 334 T C 1.843 176.401 174.700 -0.238 0.000 1.038 334 T CA 1.434 63.324 62.100 -0.349 0.000 1.144 334 T CB -0.269 68.281 68.868 -0.530 0.000 0.866 334 T HN 0.183 nan 8.240 nan 0.000 0.434 335 R N 0.668 120.981 120.500 -0.312 0.000 2.073 335 R HA -0.080 4.260 4.340 0.002 0.000 0.234 335 R C 2.307 178.476 176.300 -0.218 0.000 1.134 335 R CA 1.302 57.243 56.100 -0.264 0.000 0.952 335 R CB -0.564 29.536 30.300 -0.333 0.000 0.850 335 R HN 0.221 nan 8.270 nan 0.000 0.433 336 V N 0.645 120.460 119.914 -0.165 0.000 2.407 336 V HA -0.230 3.891 4.120 0.002 0.000 0.248 336 V C 2.200 178.233 176.094 -0.101 0.000 1.055 336 V CA 2.274 64.509 62.300 -0.107 0.000 1.049 336 V CB -0.604 31.245 31.823 0.043 0.000 0.662 336 V HN 0.494 nan 8.190 nan 0.000 0.455 337 T N 0.562 115.048 114.554 -0.114 0.000 2.699 337 T HA -0.168 4.183 4.350 0.002 0.000 0.268 337 T C 1.750 176.366 174.700 -0.140 0.000 1.036 337 T CA 1.692 63.707 62.100 -0.143 0.000 1.147 337 T CB -0.256 68.493 68.868 -0.198 0.000 0.862 337 T HN 0.353 nan 8.240 nan 0.000 0.446 338 L N 0.620 121.774 121.223 -0.115 0.000 2.375 338 L HA 0.076 4.417 4.340 0.002 0.000 0.215 338 L C 2.686 179.514 176.870 -0.070 0.000 1.108 338 L CA 1.267 56.065 54.840 -0.070 0.000 0.830 338 L CB -0.424 41.640 42.059 0.008 0.000 0.959 338 L HN 0.424 nan 8.230 nan 0.000 0.457 339 T N -5.635 108.857 114.554 -0.104 0.000 2.955 339 T HA 0.248 4.599 4.350 0.002 0.000 0.251 339 T C 1.503 176.141 174.700 -0.104 0.000 1.002 339 T CA 0.585 62.621 62.100 -0.107 0.000 0.970 339 T CB 0.928 69.706 68.868 -0.150 0.000 1.091 339 T HN 0.294 nan 8.240 nan 0.000 0.495 340 G N 2.634 111.371 108.800 -0.106 0.000 2.184 340 G HA2 -0.297 3.664 3.960 0.002 0.000 0.264 340 G HA3 -0.297 3.664 3.960 0.002 0.000 0.264 340 G C -0.058 174.791 174.900 -0.084 0.000 0.975 340 G CA 0.409 45.461 45.100 -0.081 0.000 0.642 340 G HN 1.111 nan 8.290 nan 0.000 0.536 341 E N -0.187 119.930 120.200 -0.137 0.000 2.418 341 E HA 0.419 4.770 4.350 0.002 0.000 0.261 341 E C 0.287 176.848 176.600 -0.064 0.000 1.070 341 E CA 0.051 56.368 56.400 -0.138 0.000 0.931 341 E CB 0.501 30.053 29.700 -0.247 0.000 0.954 341 E HN 0.243 nan 8.360 nan 0.000 0.439 342 Q N 0.602 120.391 119.800 -0.018 0.000 2.064 342 Q HA 0.116 4.457 4.340 0.002 0.000 0.213 342 Q C -0.797 175.215 176.000 0.020 0.000 0.779 342 Q CA -0.079 55.741 55.803 0.028 0.000 1.032 342 Q CB 0.969 29.703 28.738 -0.006 0.000 1.203 342 Q HN 0.552 nan 8.270 nan 0.000 0.457 343 E N 0.718 120.933 120.200 0.026 0.000 2.366 343 E HA 0.386 4.737 4.350 0.002 0.000 0.266 343 E C 1.037 177.593 176.600 -0.072 0.000 1.051 343 E CA 0.668 57.060 56.400 -0.013 0.000 0.884 343 E CB 0.675 30.373 29.700 -0.003 0.000 1.006 343 E HN 0.295 nan 8.360 nan 0.000 0.417 344 G N 2.344 111.069 108.800 -0.124 0.000 2.596 344 G HA2 -0.397 3.564 3.960 0.002 0.000 0.295 344 G HA3 -0.397 3.564 3.960 0.002 0.000 0.295 344 G C 0.744 175.518 174.900 -0.210 0.000 1.240 344 G CA 0.889 45.870 45.100 -0.198 0.000 0.985 344 G HN 0.692 nan 8.290 nan 0.000 0.555 345 Y N -1.064 119.144 120.300 -0.153 0.000 2.509 345 Y HA 0.273 4.823 4.550 0.001 0.000 0.293 345 Y C 2.502 178.330 175.900 -0.120 0.000 1.133 345 Y CA 1.329 59.368 58.100 -0.101 0.000 1.283 345 Y CB -0.758 37.699 38.460 -0.005 0.000 1.001 345 Y HN 0.426 nan 8.280 nan 0.000 0.555 346 Y N 1.256 121.505 120.300 -0.084 0.000 2.403 346 Y HA -0.069 4.482 4.550 0.002 0.000 0.291 346 Y C 2.587 178.552 175.900 0.109 0.000 1.143 346 Y CA 0.508 58.652 58.100 0.073 0.000 1.257 346 Y CB -0.819 37.588 38.460 -0.089 0.000 0.984 346 Y HN 0.313 nan 8.280 nan 0.000 0.550 347 A N 0.035 122.881 122.820 0.043 0.000 2.178 347 A HA -0.059 4.262 4.320 0.002 0.000 0.218 347 A C 2.456 179.900 177.584 -0.233 0.000 1.157 347 A CA 1.337 53.322 52.037 -0.087 0.000 0.689 347 A CB -1.197 17.703 19.000 -0.168 0.000 0.787 347 A HN 0.446 nan 8.150 nan 0.000 0.465 348 G N -2.088 106.492 108.800 -0.367 0.000 2.848 348 G HA2 0.286 4.247 3.960 0.002 0.000 0.208 348 G HA3 0.286 4.247 3.960 0.002 0.000 0.208 348 G C 0.051 174.533 174.900 -0.696 0.000 1.152 348 G CA 0.237 44.851 45.100 -0.811 0.000 0.789 348 G HN 0.475 nan 8.290 nan 0.000 0.531 349 Y N -2.274 118.092 120.300 0.110 0.000 2.492 349 Y HA 0.467 5.018 4.550 0.002 0.000 0.346 349 Y C 0.996 176.932 175.900 0.061 0.000 0.997 349 Y CA -1.223 56.968 58.100 0.153 0.000 1.025 349 Y CB 1.824 40.420 38.460 0.227 0.000 1.263 349 Y HN -0.142 nan 8.280 nan 0.000 0.454 350 R N 1.711 122.298 120.500 0.146 0.000 2.100 350 R HA 0.332 4.673 4.340 0.002 0.000 0.220 350 R C 0.644 176.972 176.300 0.047 0.000 1.091 350 R CA 1.128 57.261 56.100 0.055 0.000 0.986 350 R CB -0.185 30.111 30.300 -0.006 0.000 0.888 350 R HN 1.062 nan 8.270 nan 0.000 0.444 351 G N -0.551 108.291 108.800 0.072 0.000 2.860 351 G HA2 0.160 4.121 3.960 0.002 0.000 0.553 351 G HA3 0.160 4.121 3.960 0.002 0.000 0.553 351 G C 0.034 174.895 174.900 -0.065 0.000 1.439 351 G CA -0.397 44.700 45.100 -0.005 0.000 0.879 351 G HN 0.944 nan 8.290 nan 0.000 0.545 352 G N -2.217 106.513 108.800 -0.117 0.000 2.555 352 G HA2 0.514 4.475 3.960 0.002 0.000 0.686 352 G HA3 0.514 4.475 3.960 0.002 0.000 0.686 352 G C 1.015 175.813 174.900 -0.170 0.000 1.275 352 G CA 0.824 45.832 45.100 -0.154 0.000 0.871 352 G HN 2.431 nan 8.290 nan 0.000 0.603 353 A N -0.217 122.493 122.820 -0.183 0.000 1.865 353 A HA -0.001 4.320 4.320 0.002 0.000 0.217 353 A C 2.146 179.616 177.584 -0.190 0.000 1.191 353 A CA 2.595 54.542 52.037 -0.149 0.000 0.623 353 A CB -0.637 18.320 19.000 -0.072 0.000 0.826 353 A HN 1.297 nan 8.150 nan 0.000 0.444 354 E N -0.137 119.821 120.200 -0.404 0.000 2.058 354 E HA -0.163 4.188 4.350 0.002 0.000 0.194 354 E C 2.119 178.598 176.600 -0.202 0.000 0.997 354 E CA 1.321 57.373 56.400 -0.580 0.000 0.801 354 E CB -0.320 28.878 29.700 -0.836 0.000 0.746 354 E HN 0.517 nan 8.360 nan 0.000 0.450 355 A N 1.029 123.762 122.820 -0.144 0.000 1.902 355 A HA -0.152 4.169 4.320 0.002 0.000 0.217 355 A C 2.256 179.869 177.584 0.048 0.000 1.181 355 A CA 1.278 53.298 52.037 -0.027 0.000 0.623 355 A CB -0.706 18.284 19.000 -0.017 0.000 0.818 355 A HN 0.349 nan 8.150 nan 0.000 0.443 356 L N -0.827 120.390 121.223 -0.008 0.000 2.017 356 L HA -0.208 4.133 4.340 0.002 0.000 0.208 356 L C 3.137 180.039 176.870 0.052 0.000 1.073 356 L CA 1.067 55.919 54.840 0.020 0.000 0.745 356 L CB -0.535 41.523 42.059 -0.003 0.000 0.894 356 L HN 0.452 nan 8.230 nan 0.000 0.432 357 A N -0.748 122.072 122.820 -0.001 0.000 1.917 357 A HA -0.318 4.003 4.320 0.002 0.000 0.219 357 A C 2.170 179.752 177.584 -0.003 0.000 1.182 357 A CA 1.933 53.943 52.037 -0.046 0.000 0.633 357 A CB -0.957 17.968 19.000 -0.126 0.000 0.819 357 A HN 0.502 nan 8.150 nan 0.000 0.448 358 Y N 0.872 121.138 120.300 -0.055 0.000 2.163 358 Y HA -0.167 4.384 4.550 0.001 0.000 0.288 358 Y C 2.745 178.649 175.900 0.006 0.000 1.136 358 Y CA 2.376 60.458 58.100 -0.030 0.000 1.147 358 Y CB -0.626 37.815 38.460 -0.032 0.000 0.987 358 Y HN 0.302 nan 8.280 nan 0.000 0.509 359 T N 1.196 115.855 114.554 0.176 0.000 2.746 359 T HA -0.195 4.156 4.350 0.002 0.000 0.267 359 T C 1.941 176.668 174.700 0.044 0.000 1.039 359 T CA 2.006 64.194 62.100 0.146 0.000 1.142 359 T CB -0.459 68.548 68.868 0.233 0.000 0.866 359 T HN 0.334 nan 8.240 nan 0.000 0.444 360 I N 1.442 122.055 120.570 0.072 0.000 2.179 360 I HA -0.212 3.958 4.170 0.002 0.000 0.242 360 I C 2.729 178.771 176.117 -0.126 0.000 1.088 360 I CA 1.491 62.824 61.300 0.056 0.000 1.357 360 I CB -0.402 37.663 38.000 0.110 0.000 1.051 360 I HN 0.259 nan 8.210 nan 0.000 0.409 361 R N 0.821 121.215 120.500 -0.176 0.000 2.189 361 R HA -0.075 4.266 4.340 0.002 0.000 0.223 361 R C 1.696 177.810 176.300 -0.310 0.000 1.092 361 R CA 1.011 56.974 56.100 -0.229 0.000 0.989 361 R CB -0.166 30.011 30.300 -0.204 0.000 0.876 361 R HN 0.183 nan 8.270 nan 0.000 0.457 362 R N -0.102 120.164 120.500 -0.390 0.000 2.362 362 R HA 0.228 4.569 4.340 0.002 0.000 0.227 362 R C 1.320 177.371 176.300 -0.416 0.000 0.905 362 R CA 0.582 56.460 56.100 -0.371 0.000 1.067 362 R CB 0.541 30.593 30.300 -0.413 0.000 1.078 362 R HN 0.554 nan 8.270 nan 0.000 0.516 363 G N 1.061 109.555 108.800 -0.510 0.000 3.444 363 G HA2 -0.302 3.659 3.960 0.002 0.000 0.222 363 G HA3 -0.302 3.659 3.960 0.002 0.000 0.222 363 G C -0.217 174.507 174.900 -0.293 0.000 1.358 363 G CA 0.652 45.138 45.100 -1.024 0.000 0.880 363 G HN 0.375 nan 8.290 nan 0.000 0.555 364 W N -0.500 120.844 121.300 0.073 0.000 2.902 364 W HA 0.888 5.549 4.660 0.002 0.000 0.346 364 W C 0.669 177.302 176.519 0.189 0.000 1.139 364 W CA -1.017 56.462 57.345 0.223 0.000 1.139 364 W CB 0.735 30.396 29.460 0.335 0.000 1.439 364 W HN 0.285 nan 8.180 nan 0.000 0.558 365 R N -0.072 120.782 120.500 0.590 0.000 2.062 365 R HA 0.081 4.422 4.340 0.002 0.000 0.226 365 R C -0.290 176.181 176.300 0.284 0.000 1.125 365 R CA 0.732 57.086 56.100 0.424 0.000 0.966 365 R CB -0.409 30.102 30.300 0.352 0.000 0.861 365 R HN 0.540 nan 8.270 nan 0.000 0.433 366 Y N 1.466 121.954 120.300 0.314 0.000 2.452 366 Y HA 0.148 4.699 4.550 0.002 0.000 0.348 366 Y C 0.062 176.029 175.900 0.112 0.000 0.985 366 Y CA -0.078 58.107 58.100 0.142 0.000 1.214 366 Y CB 1.445 39.897 38.460 -0.012 0.000 1.136 366 Y HN 0.164 nan 8.280 nan 0.000 0.523 367 E N 2.212 122.569 120.200 0.261 0.000 2.651 367 E HA 0.269 4.620 4.350 0.002 0.000 0.208 367 E C 1.120 177.793 176.600 0.122 0.000 0.997 367 E CA 0.253 56.821 56.400 0.279 0.000 1.020 367 E CB 0.738 30.640 29.700 0.337 0.000 1.052 367 E HN 1.031 nan 8.360 nan 0.000 0.465 368 G N 1.644 110.478 108.800 0.057 0.000 2.485 368 G HA2 -0.213 3.748 3.960 0.002 0.000 0.181 368 G HA3 -0.213 3.748 3.960 0.002 0.000 0.181 368 G C 0.348 175.289 174.900 0.069 0.000 0.999 368 G CA -0.359 44.737 45.100 -0.007 0.000 0.721 368 G HN 0.202 nan 8.290 nan 0.000 0.486 369 Q N 0.606 120.484 119.800 0.131 0.000 2.443 369 Q HA 0.492 4.833 4.340 0.002 0.000 0.232 369 Q C -0.263 175.905 176.000 0.281 0.000 1.026 369 Q CA -0.631 55.276 55.803 0.174 0.000 0.924 369 Q CB 0.922 29.725 28.738 0.108 0.000 1.256 369 Q HN 0.398 nan 8.270 nan 0.000 0.519 370 F N 2.024 122.042 119.950 0.114 0.000 2.538 370 F HA 0.107 4.634 4.527 0.001 0.000 0.371 370 F C -0.299 175.628 175.800 0.212 0.000 1.087 370 F CA -0.300 57.759 58.000 0.098 0.000 1.250 370 F CB 0.428 39.458 39.000 0.049 0.000 1.110 370 F HN 0.564 nan 8.300 nan 0.000 0.570 371 W N 8.008 128.871 121.300 -0.730 0.000 2.308 371 W HA 0.502 5.162 4.660 0.001 0.000 0.311 371 W C -0.631 175.350 176.519 -0.897 0.000 1.088 371 W CA -0.672 56.221 57.345 -0.754 0.000 1.309 371 W CB 1.558 30.460 29.460 -0.930 0.000 1.229 371 W HN 0.700 nan 8.180 nan 0.000 0.427 372 A N 5.534 127.933 122.820 -0.701 0.000 2.345 372 A HA 0.175 4.496 4.320 0.002 0.000 0.225 372 A C 0.260 177.568 177.584 -0.461 0.000 1.243 372 A CA -0.091 51.695 52.037 -0.419 0.000 0.875 372 A CB -0.274 18.708 19.000 -0.031 0.000 0.929 372 A HN 0.302 nan 8.150 nan 0.000 0.502 373 V N 2.067 121.470 119.914 -0.852 0.000 2.493 373 V HA -0.040 4.081 4.120 0.002 0.000 0.292 373 V C 0.586 176.509 176.094 -0.284 0.000 1.016 373 V CA 0.226 62.146 62.300 -0.633 0.000 1.097 373 V CB 0.002 31.295 31.823 -0.882 0.000 0.947 373 V HN 0.448 nan 8.190 nan 0.000 0.479 374 K N 4.099 124.393 120.400 -0.176 0.000 2.484 374 K HA 0.300 4.621 4.320 0.002 0.000 0.280 374 K C 1.301 177.870 176.600 -0.052 0.000 1.013 374 K CA 0.904 57.141 56.287 -0.084 0.000 1.029 374 K CB 0.240 32.701 32.500 -0.065 0.000 0.902 374 K HN 1.081 nan 8.250 nan 0.000 0.481 375 G N 2.770 111.558 108.800 -0.020 0.000 2.217 375 G HA2 -0.285 3.676 3.960 0.002 0.000 0.246 375 G HA3 -0.285 3.676 3.960 0.002 0.000 0.246 375 G C 0.391 175.304 174.900 0.022 0.000 0.990 375 G CA 0.200 45.297 45.100 -0.005 0.000 0.627 375 G HN 0.713 nan 8.290 nan 0.000 0.522 376 E N 0.123 120.354 120.200 0.053 0.000 2.759 376 E HA 0.201 4.552 4.350 0.002 0.000 0.220 376 E C -0.328 176.431 176.600 0.264 0.000 0.974 376 E CA -0.298 56.196 56.400 0.156 0.000 1.148 376 E CB 0.556 30.451 29.700 0.325 0.000 1.059 376 E HN 0.561 nan 8.360 nan 0.000 0.493 377 E N 2.788 123.049 120.200 0.101 0.000 2.417 377 E HA 0.013 4.364 4.350 0.002 0.000 0.261 377 E C 0.004 176.667 176.600 0.105 0.000 1.000 377 E CA 0.650 57.023 56.400 -0.045 0.000 0.919 377 E CB 0.174 29.915 29.700 0.069 0.000 0.955 377 E HN 0.242 nan 8.360 nan 0.000 0.455 378 H N 0.400 119.287 119.070 -0.305 0.000 2.935 378 H HA 0.243 4.800 4.556 0.002 0.000 0.297 378 H C -1.099 174.180 175.328 -0.082 0.000 1.423 378 H CA -1.074 54.933 56.048 -0.068 0.000 1.161 378 H CB 0.396 30.139 29.762 -0.031 0.000 1.841 378 H HN 0.412 nan 8.280 nan 0.000 0.506 379 E N 1.539 121.750 120.200 0.018 0.000 2.129 379 E HA 0.206 4.557 4.350 0.002 0.000 0.283 379 E C -0.038 176.422 176.600 -0.233 0.000 1.080 379 E CA -0.316 56.064 56.400 -0.033 0.000 0.867 379 E CB 1.391 31.149 29.700 0.098 0.000 1.056 379 E HN 0.249 nan 8.360 nan 0.000 0.404 380 R N 2.749 123.018 120.500 -0.385 0.000 2.294 380 R HA 0.488 4.829 4.340 0.002 0.000 0.319 380 R C 0.067 176.245 176.300 -0.204 0.000 0.984 380 R CA 0.302 56.144 56.100 -0.430 0.000 0.861 380 R CB 0.798 30.656 30.300 -0.736 0.000 1.104 380 R HN 0.703 nan 8.270 nan 0.000 0.451 381 G N 2.158 110.789 108.800 -0.282 0.000 2.655 381 G HA2 -0.150 3.811 3.960 0.002 0.000 0.680 381 G HA3 -0.150 3.811 3.960 0.002 0.000 0.680 381 G C -1.593 173.010 174.900 -0.496 0.000 1.302 381 G CA -0.735 44.192 45.100 -0.288 0.000 0.872 381 G HN 0.757 nan 8.290 nan 0.000 0.540 382 H N -0.575 118.543 119.070 0.080 0.000 3.016 382 H HA 0.601 5.157 4.556 0.001 0.000 0.362 382 H C -2.541 173.014 175.328 0.379 0.000 1.233 382 H CA -1.172 54.989 56.048 0.189 0.000 1.124 382 H CB 1.938 31.789 29.762 0.147 0.000 1.850 382 H HN 0.544 nan 8.280 nan 0.000 0.549 383 P HA -0.029 nan 4.420 nan 0.000 0.262 383 P C 0.390 177.894 177.300 0.340 0.000 1.182 383 P CA 0.226 63.518 63.100 0.320 0.000 0.761 383 P CB 0.607 32.426 31.700 0.198 0.000 0.795 384 S N 0.522 116.349 115.700 0.212 0.000 2.593 384 S HA -0.019 4.452 4.470 0.002 0.000 0.217 384 S C 0.931 175.508 174.600 -0.038 0.000 0.966 384 S CA 0.204 58.370 58.200 -0.057 0.000 0.914 384 S CB -0.705 62.214 63.200 -0.468 0.000 0.776 384 S HN 0.234 nan 8.310 nan 0.000 0.523 385 D N 3.222 123.633 120.400 0.019 0.000 2.158 385 D HA -0.054 4.587 4.640 0.002 0.000 0.197 385 D C 2.087 178.383 176.300 -0.006 0.000 0.995 385 D CA 1.556 55.558 54.000 0.004 0.000 0.846 385 D CB -0.449 40.364 40.800 0.022 0.000 0.941 385 D HN 0.600 nan 8.370 nan 0.000 0.456 386 A N 0.092 122.909 122.820 -0.005 0.000 2.067 386 A HA -0.006 4.315 4.320 0.002 0.000 0.219 386 A C 0.993 178.544 177.584 -0.056 0.000 1.158 386 A CA 0.505 52.530 52.037 -0.021 0.000 0.661 386 A CB -0.417 18.575 19.000 -0.014 0.000 0.801 386 A HN 0.178 nan 8.150 nan 0.000 0.452 387 L N 0.252 121.414 121.223 -0.101 0.000 2.350 387 L HA 0.408 4.749 4.340 0.002 0.000 0.275 387 L C 0.286 177.132 176.870 -0.039 0.000 1.099 387 L CA -0.574 54.146 54.840 -0.199 0.000 0.808 387 L CB 1.008 42.702 42.059 -0.608 0.000 1.149 387 L HN 0.235 nan 8.230 nan 0.000 0.442 388 E N 1.144 121.313 120.200 -0.052 0.000 2.239 388 E HA 0.438 4.789 4.350 0.002 0.000 0.261 388 E C 0.554 177.207 176.600 0.088 0.000 1.016 388 E CA 0.084 56.496 56.400 0.019 0.000 0.882 388 E CB 1.789 31.477 29.700 -0.020 0.000 1.190 388 E HN 0.540 nan 8.360 nan 0.000 0.415 389 A N 2.619 125.475 122.820 0.059 0.000 1.903 389 A HA -0.120 4.201 4.320 0.002 0.000 0.219 389 A C -0.801 176.804 177.584 0.035 0.000 1.191 389 A CA 1.949 54.010 52.037 0.039 0.000 0.638 389 A CB -1.757 17.197 19.000 -0.077 0.000 0.823 389 A HN 0.664 nan 8.150 nan 0.000 0.451 390 P HA -0.088 nan 4.420 nan 0.000 0.222 390 P C 0.851 178.139 177.300 -0.020 0.000 1.147 390 P CA 0.983 64.066 63.100 -0.028 0.000 0.790 390 P CB -0.144 31.540 31.700 -0.027 0.000 0.780 391 N N -1.041 117.611 118.700 -0.080 0.000 2.453 391 N HA -0.061 4.680 4.740 0.002 0.000 0.183 391 N C 0.076 175.425 175.510 -0.269 0.000 1.041 391 N CA 0.790 53.720 53.050 -0.201 0.000 0.900 391 N CB -0.330 37.928 38.487 -0.382 0.000 0.961 391 N HN 0.235 nan 8.380 nan 0.000 0.443 392 F N 0.543 120.426 119.950 -0.113 0.000 2.405 392 F HA 0.293 4.821 4.527 0.001 0.000 0.355 392 F C 0.341 176.066 175.800 -0.125 0.000 1.121 392 F CA -0.810 57.130 58.000 -0.101 0.000 1.112 392 F CB 1.214 40.027 39.000 -0.312 0.000 1.126 392 F HN -0.375 nan 8.300 nan 0.000 0.481 393 V N 4.866 124.895 119.914 0.193 0.000 2.383 393 V HA 0.260 4.381 4.120 0.002 0.000 0.275 393 V C -0.552 175.646 176.094 0.173 0.000 1.036 393 V CA -0.740 61.614 62.300 0.089 0.000 0.889 393 V CB 0.421 32.246 31.823 0.003 0.000 0.985 393 V HN 0.454 nan 8.190 nan 0.000 0.459 394 Y N 3.513 123.735 120.300 -0.129 0.000 2.487 394 Y HA 0.797 5.348 4.550 0.001 0.000 0.337 394 Y C 0.400 176.222 175.900 -0.130 0.000 1.076 394 Y CA -1.648 56.351 58.100 -0.169 0.000 1.115 394 Y CB 1.947 40.103 38.460 -0.507 0.000 1.235 394 Y HN 0.911 nan 8.280 nan 0.000 0.468 395 C N 1.094 120.492 119.300 0.164 0.000 3.311 395 C HA 0.623 5.083 4.460 0.002 0.000 0.325 395 C C 0.595 175.774 174.990 0.315 0.000 1.352 395 C CA -1.056 58.048 59.018 0.144 0.000 1.308 395 C CB 0.520 28.229 27.740 -0.052 0.000 1.619 395 C HN 0.900 nan 8.230 nan 0.000 0.469 396 I N -1.982 118.742 120.570 0.257 0.000 4.082 396 I HA 0.344 4.515 4.170 0.002 0.000 0.337 396 I C -0.101 176.218 176.117 0.337 0.000 1.352 396 I CA 0.439 61.895 61.300 0.259 0.000 1.097 396 I CB -0.058 38.016 38.000 0.123 0.000 1.048 396 I HN 0.685 nan 8.210 nan 0.000 0.393 397 Q N 2.608 122.539 119.800 0.220 0.000 2.353 397 Q HA 0.431 4.772 4.340 0.002 0.000 0.275 397 Q C -1.577 174.391 176.000 -0.054 0.000 1.029 397 Q CA -0.418 55.449 55.803 0.105 0.000 0.848 397 Q CB 2.639 31.451 28.738 0.123 0.000 1.390 397 Q HN 0.571 nan 8.270 nan 0.000 0.401 398 N N -1.200 117.355 118.700 -0.241 0.000 3.277 398 N HA 0.153 4.894 4.740 0.002 0.000 0.278 398 N C 0.677 175.793 175.510 -0.656 0.000 1.544 398 N CA -0.454 52.409 53.050 -0.311 0.000 0.869 398 N CB 0.014 38.362 38.487 -0.232 0.000 1.584 398 N HN 0.580 nan 8.380 nan 0.000 0.564 399 H N -1.515 117.272 119.070 -0.473 0.000 2.387 399 H HA -0.027 4.530 4.556 0.001 0.000 0.299 399 H C -0.183 174.947 175.328 -0.331 0.000 1.099 399 H CA 1.617 57.266 56.048 -0.665 0.000 1.315 399 H CB -0.194 29.324 29.762 -0.407 0.000 1.380 399 H HN 0.529 nan 8.280 nan 0.000 0.513 400 D N 0.768 120.825 120.400 -0.573 0.000 2.137 400 D HA -0.080 4.561 4.640 0.002 0.000 0.202 400 D C 2.208 178.498 176.300 -0.017 0.000 0.970 400 D CA 0.683 54.602 54.000 -0.135 0.000 0.837 400 D CB 0.045 40.721 40.800 -0.206 0.000 0.981 400 D HN 0.374 nan 8.370 nan 0.000 0.475 401 Q N -0.065 119.645 119.800 -0.149 0.000 2.472 401 Q HA 0.095 4.436 4.340 0.002 0.000 0.208 401 Q C 2.103 178.143 176.000 0.066 0.000 0.958 401 Q CA 0.190 55.979 55.803 -0.024 0.000 0.932 401 Q CB 0.635 29.172 28.738 -0.335 0.000 1.007 401 Q HN 0.441 nan 8.270 nan 0.000 0.508 402 I N -1.086 119.464 120.570 -0.033 0.000 2.681 402 I HA 0.023 4.194 4.170 0.002 0.000 0.247 402 I C 2.075 178.295 176.117 0.172 0.000 1.091 402 I CA 0.843 62.160 61.300 0.029 0.000 1.442 402 I CB -0.334 37.593 38.000 -0.122 0.000 1.219 402 I HN 0.105 nan 8.210 nan 0.000 0.451 403 G N 1.646 110.621 108.800 0.291 0.000 2.534 403 G HA2 -0.212 3.749 3.960 0.002 0.000 0.217 403 G HA3 -0.212 3.749 3.960 0.002 0.000 0.217 403 G C 1.211 176.419 174.900 0.514 0.000 1.128 403 G CA 0.753 46.210 45.100 0.595 0.000 0.784 403 G HN 0.493 nan 8.290 nan 0.000 0.542 404 N N 0.343 119.269 118.700 0.376 0.000 2.494 404 N HA -0.015 4.726 4.740 0.002 0.000 0.182 404 N C 0.849 176.512 175.510 0.255 0.000 1.076 404 N CA -0.062 53.166 53.050 0.297 0.000 0.908 404 N CB -0.157 38.487 38.487 0.261 0.000 0.967 404 N HN 0.211 nan 8.380 nan 0.000 0.449 405 R N 0.732 121.322 120.500 0.150 0.000 2.490 405 R HA 0.198 4.539 4.340 0.002 0.000 0.278 405 R C -1.480 174.660 176.300 -0.267 0.000 1.069 405 R CA -1.615 54.486 56.100 0.001 0.000 1.080 405 R CB 0.373 30.688 30.300 0.025 0.000 1.030 405 R HN 0.061 nan 8.270 nan 0.000 0.491 406 P HA -0.189 nan 4.420 nan 0.000 0.216 406 P C 0.714 177.769 177.300 -0.408 0.000 1.157 406 P CA 1.627 64.111 63.100 -1.027 0.000 0.880 406 P CB 0.166 31.383 31.700 -0.804 0.000 0.791 407 L N -2.981 118.111 121.223 -0.218 0.000 2.667 407 L HA 0.359 4.699 4.340 0.002 0.000 0.232 407 L C 1.196 178.053 176.870 -0.021 0.000 1.138 407 L CA 0.320 55.103 54.840 -0.095 0.000 0.921 407 L CB -0.745 41.269 42.059 -0.075 0.000 1.180 407 L HN 0.089 nan 8.230 nan 0.000 0.487 408 G N 1.773 110.573 108.800 0.001 0.000 2.283 408 G HA2 -0.281 3.680 3.960 0.002 0.000 0.280 408 G HA3 -0.281 3.680 3.960 0.002 0.000 0.280 408 G C 0.268 175.215 174.900 0.078 0.000 1.029 408 G CA 0.567 45.723 45.100 0.093 0.000 0.840 408 G HN 0.554 nan 8.290 nan 0.000 0.505 409 E N 0.362 120.573 120.200 0.019 0.000 2.313 409 E HA 0.461 4.812 4.350 0.002 0.000 0.272 409 E C 0.514 177.099 176.600 -0.024 0.000 1.038 409 E CA -0.656 55.732 56.400 -0.020 0.000 0.863 409 E CB 1.007 30.668 29.700 -0.065 0.000 1.060 409 E HN 0.474 nan 8.360 nan 0.000 0.402 410 R N 1.165 121.615 120.500 -0.083 0.000 2.649 410 R HA 0.123 4.464 4.340 0.002 0.000 0.270 410 R C 1.287 177.526 176.300 -0.101 0.000 1.105 410 R CA -0.631 55.433 56.100 -0.059 0.000 1.193 410 R CB 0.347 30.621 30.300 -0.043 0.000 1.120 410 R HN 0.485 nan 8.270 nan 0.000 0.561 411 L N 1.802 123.092 121.223 0.112 0.000 2.042 411 L HA -0.213 4.128 4.340 0.002 0.000 0.210 411 L C 2.057 178.968 176.870 0.068 0.000 1.076 411 L CA 2.111 57.047 54.840 0.160 0.000 0.749 411 L CB -0.701 41.579 42.059 0.369 0.000 0.893 411 L HN 0.804 nan 8.230 nan 0.000 0.432 412 H N -2.862 116.118 119.070 -0.149 0.000 2.546 412 H HA 0.009 4.566 4.556 0.002 0.000 0.277 412 H C 1.832 177.073 175.328 -0.145 0.000 1.004 412 H CA 0.856 56.742 56.048 -0.269 0.000 1.231 412 H CB -0.364 28.938 29.762 -0.767 0.000 1.382 412 H HN 0.519 nan 8.280 nan 0.000 0.580 413 Q N 0.704 120.185 119.800 -0.531 0.000 2.354 413 Q HA 0.136 4.477 4.340 0.002 0.000 0.203 413 Q C 0.341 176.243 176.000 -0.164 0.000 0.933 413 Q CA 0.110 55.704 55.803 -0.348 0.000 0.901 413 Q CB 0.613 29.126 28.738 -0.375 0.000 1.007 413 Q HN 0.304 nan 8.270 nan 0.000 0.495 414 S N 1.607 117.233 115.700 -0.123 0.000 2.572 414 S HA 0.015 4.486 4.470 0.002 0.000 0.279 414 S C -0.311 174.250 174.600 -0.065 0.000 1.341 414 S CA -0.444 57.706 58.200 -0.082 0.000 1.043 414 S CB 0.422 63.579 63.200 -0.072 0.000 0.887 414 S HN 0.147 nan 8.310 nan 0.000 0.516 415 D N 1.234 121.598 120.400 -0.061 0.000 2.487 415 D HA 0.340 4.981 4.640 0.002 0.000 0.243 415 D C 1.293 177.567 176.300 -0.043 0.000 1.154 415 D CA 1.504 55.474 54.000 -0.049 0.000 0.876 415 D CB 0.527 41.299 40.800 -0.047 0.000 1.161 415 D HN 0.802 nan 8.370 nan 0.000 0.478 416 G N 1.384 110.164 108.800 -0.032 0.000 2.284 416 G HA2 -0.286 3.675 3.960 0.002 0.000 0.230 416 G HA3 -0.286 3.675 3.960 0.002 0.000 0.230 416 G C 0.428 175.323 174.900 -0.008 0.000 1.021 416 G CA 0.032 45.118 45.100 -0.024 0.000 0.619 416 G HN 0.549 nan 8.290 nan 0.000 0.510 417 V N 3.330 123.245 119.914 0.001 0.000 2.540 417 V HA 0.436 4.556 4.120 0.002 0.000 0.297 417 V C 1.345 177.476 176.094 0.061 0.000 1.024 417 V CA 0.856 63.183 62.300 0.045 0.000 1.105 417 V CB 0.727 32.589 31.823 0.066 0.000 0.938 417 V HN 0.894 nan 8.190 nan 0.000 0.482 418 T N 2.808 117.417 114.554 0.091 0.000 2.918 418 T HA 0.484 4.834 4.350 0.002 0.000 0.283 418 T C 1.037 175.840 174.700 0.172 0.000 1.001 418 T CA -0.743 61.405 62.100 0.080 0.000 1.041 418 T CB 1.121 70.007 68.868 0.032 0.000 1.028 418 T HN 0.324 nan 8.240 nan 0.000 0.511 419 L N 0.513 121.824 121.223 0.147 0.000 2.191 419 L HA -0.081 4.260 4.340 0.002 0.000 0.212 419 L C 2.762 179.878 176.870 0.411 0.000 1.103 419 L CA 1.348 56.340 54.840 0.255 0.000 0.769 419 L CB -0.635 41.536 42.059 0.187 0.000 0.908 419 L HN 0.852 nan 8.230 nan 0.000 0.438 420 H N -0.589 118.591 119.070 0.184 0.000 2.321 420 H HA -0.165 4.392 4.556 0.001 0.000 0.300 420 H C 2.069 177.546 175.328 0.248 0.000 1.087 420 H CA 1.215 57.377 56.048 0.190 0.000 1.319 420 H CB 0.230 30.090 29.762 0.162 0.000 1.379 420 H HN 0.415 nan 8.280 nan 0.000 0.501 421 E N 0.355 120.802 120.200 0.411 0.000 2.077 421 E HA -0.207 4.144 4.350 0.002 0.000 0.193 421 E C 1.896 178.761 176.600 0.442 0.000 0.989 421 E CA 0.872 57.547 56.400 0.460 0.000 0.800 421 E CB -0.120 29.779 29.700 0.333 0.000 0.746 421 E HN 0.427 nan 8.360 nan 0.000 0.452 422 Y N 1.674 122.115 120.300 0.234 0.000 2.165 422 Y HA -0.219 4.332 4.550 0.001 0.000 0.286 422 Y C 2.101 178.065 175.900 0.107 0.000 1.155 422 Y CA 1.643 59.851 58.100 0.180 0.000 1.164 422 Y CB 0.069 38.635 38.460 0.178 0.000 0.978 422 Y HN -0.145 nan 8.280 nan 0.000 0.513 423 R N -0.787 119.811 120.500 0.163 0.000 2.092 423 R HA -0.079 4.262 4.340 0.002 0.000 0.231 423 R C 2.554 178.724 176.300 -0.217 0.000 1.119 423 R CA 0.968 57.055 56.100 -0.021 0.000 0.970 423 R CB -0.832 29.514 30.300 0.077 0.000 0.864 423 R HN 0.496 nan 8.270 nan 0.000 0.440 424 G N 0.864 109.552 108.800 -0.187 0.000 2.418 424 G HA2 -0.265 3.696 3.960 0.002 0.000 0.217 424 G HA3 -0.265 3.696 3.960 0.002 0.000 0.217 424 G C 1.556 175.716 174.900 -1.234 0.000 1.158 424 G CA 0.787 45.483 45.100 -0.675 0.000 0.771 424 G HN 0.392 nan 8.290 nan 0.000 0.545 425 A N 1.228 123.512 122.820 -0.894 0.000 1.940 425 A HA 0.210 4.531 4.320 0.002 0.000 0.219 425 A C 2.817 180.100 177.584 -0.502 0.000 1.176 425 A CA 2.311 53.887 52.037 -0.768 0.000 0.631 425 A CB -0.783 18.114 19.000 -0.170 0.000 0.814 425 A HN 0.801 nan 8.150 nan 0.000 0.446 426 A N -0.150 122.386 122.820 -0.473 0.000 1.902 426 A HA 0.134 4.455 4.320 0.002 0.000 0.217 426 A C 2.510 179.827 177.584 -0.445 0.000 1.181 426 A CA 2.164 53.912 52.037 -0.482 0.000 0.623 426 A CB -1.016 17.528 19.000 -0.760 0.000 0.818 426 A HN 1.087 nan 8.150 nan 0.000 0.443 427 A N -0.552 121.990 122.820 -0.463 0.000 1.902 427 A HA -0.003 4.318 4.320 0.002 0.000 0.217 427 A C 2.140 179.548 177.584 -0.294 0.000 1.181 427 A CA 1.708 53.529 52.037 -0.360 0.000 0.623 427 A CB -0.608 18.183 19.000 -0.349 0.000 0.818 427 A HN 0.723 nan 8.150 nan 0.000 0.443 428 L N -0.626 120.371 121.223 -0.377 0.000 1.994 428 L HA -0.124 4.217 4.340 0.002 0.000 0.208 428 L C 2.272 179.113 176.870 -0.048 0.000 1.071 428 L CA 2.260 56.999 54.840 -0.169 0.000 0.745 428 L CB -0.687 41.279 42.059 -0.155 0.000 0.892 428 L HN 0.343 nan 8.230 nan 0.000 0.431 429 L N -0.596 120.606 121.223 -0.034 0.000 2.012 429 L HA -0.188 4.153 4.340 0.002 0.000 0.210 429 L C 2.119 178.942 176.870 -0.078 0.000 1.073 429 L CA 1.958 56.796 54.840 -0.003 0.000 0.748 429 L CB -0.567 41.517 42.059 0.042 0.000 0.891 429 L HN 0.331 nan 8.230 nan 0.000 0.431 430 L N -1.038 120.112 121.223 -0.123 0.000 2.591 430 L HA 0.020 4.361 4.340 0.002 0.000 0.228 430 L C 1.779 178.589 176.870 -0.100 0.000 1.133 430 L CA 0.887 55.657 54.840 -0.116 0.000 0.880 430 L CB -0.692 41.273 42.059 -0.157 0.000 1.033 430 L HN 0.484 nan 8.230 nan 0.000 0.450 431 T N -3.625 110.871 114.554 -0.097 0.000 3.040 431 T HA 0.229 4.580 4.350 0.002 0.000 0.250 431 T C 0.714 175.376 174.700 -0.063 0.000 1.058 431 T CA -0.227 61.830 62.100 -0.073 0.000 0.988 431 T CB 0.023 68.852 68.868 -0.066 0.000 0.993 431 T HN -0.002 nan 8.240 nan 0.000 0.519 432 L N 2.974 124.151 121.223 -0.077 0.000 2.436 432 L HA 0.394 4.735 4.340 0.002 0.000 0.265 432 L C -1.593 175.200 176.870 -0.129 0.000 1.168 432 L CA -2.140 52.641 54.840 -0.099 0.000 0.815 432 L CB 0.435 42.417 42.059 -0.129 0.000 1.109 432 L HN 0.119 nan 8.230 nan 0.000 0.462 436 P HA 0.709 nan 4.420 nan 0.000 0.282 436 P C -1.081 176.251 177.300 0.054 0.000 1.259 436 P CA -0.851 62.239 63.100 -0.016 0.000 0.826 436 P CB 1.598 33.279 31.700 -0.031 0.000 1.064 437 L N 1.971 123.217 121.223 0.039 0.000 2.408 437 L HA 0.539 4.880 4.340 0.002 0.000 0.268 437 L C -1.397 175.490 176.870 0.029 0.000 0.986 437 L CA -0.885 53.986 54.840 0.052 0.000 0.820 437 L CB 1.426 43.395 42.059 -0.149 0.000 1.303 437 L HN 0.197 nan 8.230 nan 0.000 0.411 438 L N 3.654 124.909 121.223 0.053 0.000 2.334 438 L HA 0.500 4.841 4.340 0.002 0.000 0.273 438 L C -0.922 175.864 176.870 -0.140 0.000 1.013 438 L CA -0.604 54.242 54.840 0.010 0.000 0.816 438 L CB 1.898 43.998 42.059 0.069 0.000 1.278 438 L HN 0.507 nan 8.230 nan 0.000 0.431 439 F N 1.890 121.661 119.950 -0.298 0.000 2.399 439 F HA 0.279 4.807 4.527 0.002 0.000 0.334 439 F C 0.375 175.819 175.800 -0.593 0.000 1.097 439 F CA -0.719 57.039 58.000 -0.404 0.000 1.076 439 F CB 1.193 40.026 39.000 -0.278 0.000 1.162 439 F HN 0.534 nan 8.300 nan 0.000 0.495 440 Q N 3.852 122.764 119.800 -1.479 0.000 2.304 440 Q HA 0.268 4.609 4.340 0.002 0.000 0.315 440 Q C 0.834 176.411 176.000 -0.705 0.000 1.075 440 Q CA 0.668 55.847 55.803 -1.041 0.000 0.988 440 Q CB -0.019 28.338 28.738 -0.634 0.000 1.146 440 Q HN 1.183 nan 8.270 nan 0.000 0.383 441 G N 2.453 110.817 108.800 -0.725 0.000 2.253 441 G HA2 -0.450 3.511 3.960 0.002 0.000 0.251 441 G HA3 -0.450 3.511 3.960 0.002 0.000 0.251 441 G C 0.819 175.139 174.900 -0.966 0.000 0.998 441 G CA 0.592 44.853 45.100 -1.397 0.000 0.621 441 G HN 0.896 nan 8.290 nan 0.000 0.524 442 Q N 0.808 120.326 119.800 -0.471 0.000 2.224 442 Q HA -0.046 4.295 4.340 0.002 0.000 0.203 442 Q C 2.074 177.810 176.000 -0.440 0.000 0.970 442 Q CA 1.864 57.534 55.803 -0.222 0.000 0.865 442 Q CB -0.366 28.364 28.738 -0.014 0.000 0.922 442 Q HN 0.638 nan 8.270 nan 0.000 0.445 443 E N 0.886 120.707 120.200 -0.631 0.000 2.338 443 E HA -0.186 4.165 4.350 0.002 0.000 0.197 443 E C 0.771 177.224 176.600 -0.245 0.000 1.007 443 E CA 1.089 56.913 56.400 -0.961 0.000 0.849 443 E CB -0.292 29.186 29.700 -0.370 0.000 0.774 443 E HN 0.842 nan 8.360 nan 0.000 0.506 444 W N -0.299 120.940 121.300 -0.102 0.000 2.771 444 W HA 0.724 5.385 4.660 0.002 0.000 0.412 444 W C 0.174 176.759 176.519 0.110 0.000 0.965 444 W CA -0.706 56.664 57.345 0.042 0.000 2.045 444 W CB -0.122 29.359 29.460 0.035 0.000 1.176 444 W HN 0.147 nan 8.180 nan 0.000 0.634 445 A N 0.916 123.722 122.820 -0.024 0.000 2.519 445 A HA 0.089 4.410 4.320 0.002 0.000 0.297 445 A C 1.097 178.648 177.584 -0.055 0.000 1.472 445 A CA 0.746 52.541 52.037 -0.403 0.000 0.739 445 A CB -1.887 16.820 19.000 -0.488 0.000 1.096 445 A HN 1.495 nan 8.150 nan 0.000 0.414 446 A N 0.660 123.344 122.820 -0.227 0.000 2.555 446 A HA 0.454 4.775 4.320 0.002 0.000 0.233 446 A C 1.591 179.325 177.584 0.251 0.000 1.060 446 A CA 0.808 52.782 52.037 -0.105 0.000 0.759 446 A CB -0.013 18.735 19.000 -0.419 0.000 0.995 446 A HN 2.081 nan 8.150 nan 0.000 0.506 447 S N 0.650 116.495 115.700 0.243 0.000 2.528 447 S HA 0.058 4.529 4.470 0.002 0.000 0.219 447 S C 0.773 175.449 174.600 0.128 0.000 0.985 447 S CA 0.660 59.005 58.200 0.241 0.000 0.914 447 S CB -0.670 62.665 63.200 0.225 0.000 0.776 447 S HN 1.154 nan 8.310 nan 0.000 0.526 448 T N 1.420 116.038 114.554 0.107 0.000 2.907 448 T HA 0.610 4.961 4.350 0.002 0.000 0.284 448 T C -2.771 172.000 174.700 0.118 0.000 1.004 448 T CA -2.182 59.975 62.100 0.094 0.000 1.063 448 T CB 1.478 70.400 68.868 0.091 0.000 0.992 448 T HN 0.052 nan 8.240 nan 0.000 0.483 449 P HA 0.333 nan 4.420 nan 0.000 0.277 449 P C -1.191 176.284 177.300 0.291 0.000 1.271 449 P CA -0.673 62.518 63.100 0.151 0.000 0.795 449 P CB 0.533 32.296 31.700 0.105 0.000 1.101 450 F N 0.297 120.338 119.950 0.152 0.000 2.532 450 F HA 0.325 4.853 4.527 0.001 0.000 0.365 450 F C -0.006 175.986 175.800 0.322 0.000 1.112 450 F CA -0.453 57.690 58.000 0.238 0.000 1.082 450 F CB 0.996 40.094 39.000 0.165 0.000 1.319 450 F HN 0.179 nan 8.300 nan 0.000 0.457 451 Q N 3.576 123.417 119.800 0.068 0.000 2.205 451 Q HA 0.301 4.642 4.340 0.002 0.000 0.249 451 Q C -1.055 175.116 176.000 0.285 0.000 0.948 451 Q CA -1.062 54.864 55.803 0.205 0.000 0.895 451 Q CB 2.005 30.855 28.738 0.186 0.000 1.249 451 Q HN 0.621 nan 8.270 nan 0.000 0.458 452 F N 3.122 123.122 119.950 0.083 0.000 2.472 452 F HA 0.283 4.811 4.527 0.002 0.000 0.364 452 F C -1.085 174.571 175.800 -0.240 0.000 1.090 452 F CA -0.602 57.152 58.000 -0.410 0.000 1.188 452 F CB 0.016 38.672 39.000 -0.574 0.000 1.105 452 F HN 0.354 nan 8.300 nan 0.000 0.536 453 F N 3.103 122.397 119.950 -1.093 0.000 2.588 453 F HA 0.854 5.382 4.527 0.002 0.000 0.314 453 F C -0.882 174.351 175.800 -0.945 0.000 1.069 453 F CA -0.910 56.659 58.000 -0.718 0.000 0.931 453 F CB 1.244 40.140 39.000 -0.175 0.000 1.260 453 F HN 0.433 nan 8.300 nan 0.000 0.465 454 S N -0.074 115.411 115.700 -0.358 0.000 2.656 454 S HA 0.608 5.079 4.470 0.002 0.000 0.273 454 S C -1.644 172.887 174.600 -0.115 0.000 1.168 454 S CA -0.650 57.374 58.200 -0.293 0.000 0.817 454 S CB 1.966 65.016 63.200 -0.250 0.000 1.146 454 S HN 0.820 nan 8.310 nan 0.000 0.475 455 D N -0.267 120.030 120.400 -0.170 0.000 3.078 455 D HA 0.246 4.887 4.640 0.002 0.000 0.363 455 D C -0.806 175.426 176.300 -0.113 0.000 1.391 455 D CA -0.180 53.765 54.000 -0.091 0.000 0.754 455 D CB -0.090 40.678 40.800 -0.052 0.000 1.238 455 D HN 0.544 nan 8.370 nan 0.000 0.500 456 H N 0.134 119.228 119.070 0.039 0.000 2.607 456 H HA 0.586 5.143 4.556 0.002 0.000 0.367 456 H C 0.371 175.722 175.328 0.038 0.000 1.181 456 H CA -0.007 56.063 56.048 0.036 0.000 1.402 456 H CB 1.322 31.090 29.762 0.009 0.000 1.474 456 H HN 0.287 nan 8.280 nan 0.000 0.596 457 A N 1.075 124.018 122.820 0.205 0.000 2.286 457 A HA 0.514 4.835 4.320 0.002 0.000 0.286 457 A C 1.095 178.728 177.584 0.082 0.000 1.097 457 A CA 0.296 52.401 52.037 0.114 0.000 0.821 457 A CB 0.008 19.067 19.000 0.098 0.000 1.076 457 A HN 0.912 nan 8.150 nan 0.000 0.490 458 G N 0.882 109.714 108.800 0.053 0.000 2.627 458 G HA2 -0.354 3.607 3.960 0.002 0.000 0.312 458 G HA3 -0.354 3.607 3.960 0.002 0.000 0.312 458 G C 0.750 175.671 174.900 0.035 0.000 1.299 458 G CA 1.036 46.156 45.100 0.033 0.000 0.989 458 G HN 0.857 nan 8.290 nan 0.000 0.547 459 E N -0.346 119.866 120.200 0.021 0.000 2.110 459 E HA -0.051 4.300 4.350 0.002 0.000 0.193 459 E C 2.613 179.230 176.600 0.028 0.000 0.988 459 E CA 1.179 57.591 56.400 0.020 0.000 0.804 459 E CB -0.129 29.576 29.700 0.008 0.000 0.745 459 E HN 0.384 nan 8.360 nan 0.000 0.458 460 L N 0.643 121.877 121.223 0.018 0.000 2.012 460 L HA -0.088 4.253 4.340 0.002 0.000 0.210 460 L C 2.155 179.061 176.870 0.060 0.000 1.073 460 L CA 2.311 57.154 54.840 0.005 0.000 0.748 460 L CB -0.966 41.043 42.059 -0.085 0.000 0.891 460 L HN 0.108 nan 8.230 nan 0.000 0.431 461 G N -1.461 107.401 108.800 0.103 0.000 2.446 461 G HA2 -0.294 3.666 3.960 0.002 0.000 0.217 461 G HA3 -0.294 3.666 3.960 0.002 0.000 0.217 461 G C 1.461 176.422 174.900 0.102 0.000 1.168 461 G CA 0.819 46.001 45.100 0.137 0.000 0.771 461 G HN 0.563 nan 8.290 nan 0.000 0.551 462 Q N 0.162 120.006 119.800 0.073 0.000 2.124 462 Q HA -0.008 4.333 4.340 0.002 0.000 0.202 462 Q C 2.987 179.025 176.000 0.063 0.000 0.977 462 Q CA 1.238 57.078 55.803 0.060 0.000 0.850 462 Q CB -0.260 28.504 28.738 0.043 0.000 0.901 462 Q HN 0.493 nan 8.270 nan 0.000 0.429 463 A N 0.232 123.091 122.820 0.064 0.000 1.930 463 A HA -0.125 4.196 4.320 0.002 0.000 0.217 463 A C 2.313 179.949 177.584 0.087 0.000 1.175 463 A CA 1.187 53.262 52.037 0.063 0.000 0.627 463 A CB -0.582 18.454 19.000 0.061 0.000 0.815 463 A HN 0.209 nan 8.150 nan 0.000 0.443 464 V N -0.111 119.880 119.914 0.128 0.000 2.295 464 V HA -0.226 3.895 4.120 0.002 0.000 0.246 464 V C 2.804 178.983 176.094 0.143 0.000 1.049 464 V CA 2.343 64.747 62.300 0.174 0.000 1.024 464 V CB -0.852 31.125 31.823 0.256 0.000 0.648 464 V HN 0.562 nan 8.190 nan 0.000 0.447 465 S N -0.426 115.346 115.700 0.120 0.000 2.356 465 S HA -0.258 4.213 4.470 0.002 0.000 0.223 465 S C 2.035 176.685 174.600 0.083 0.000 1.032 465 S CA 1.820 60.082 58.200 0.104 0.000 1.005 465 S CB -0.328 62.922 63.200 0.084 0.000 0.867 465 S HN 0.665 nan 8.310 nan 0.000 0.449 466 E N 1.201 121.439 120.200 0.063 0.000 2.085 466 E HA -0.081 4.270 4.350 0.002 0.000 0.194 466 E C 2.080 178.697 176.600 0.028 0.000 0.994 466 E CA 1.456 57.880 56.400 0.042 0.000 0.801 466 E CB -0.902 28.816 29.700 0.030 0.000 0.743 466 E HN 0.424 nan 8.360 nan 0.000 0.453 467 G N -0.019 108.796 108.800 0.025 0.000 2.422 467 G HA2 -0.326 3.634 3.960 0.002 0.000 0.218 467 G HA3 -0.326 3.634 3.960 0.002 0.000 0.218 467 G C 1.815 176.701 174.900 -0.023 0.000 1.146 467 G CA 0.928 46.018 45.100 -0.016 0.000 0.769 467 G HN 0.199 nan 8.290 nan 0.000 0.547 468 R N 0.629 121.155 120.500 0.045 0.000 2.073 468 R HA 0.083 4.424 4.340 0.002 0.000 0.229 468 R C 2.403 178.793 176.300 0.150 0.000 1.120 468 R CA 1.693 57.857 56.100 0.107 0.000 0.967 468 R CB -0.421 29.994 30.300 0.191 0.000 0.862 468 R HN 0.377 nan 8.270 nan 0.000 0.436 469 K N 0.374 120.840 120.400 0.109 0.000 2.009 469 K HA -0.165 4.156 4.320 0.002 0.000 0.210 469 K C 1.742 178.383 176.600 0.067 0.000 1.049 469 K CA 1.853 58.202 56.287 0.103 0.000 0.929 469 K CB -0.014 32.527 32.500 0.069 0.000 0.714 469 K HN 0.072 nan 8.250 nan 0.000 0.440 470 K N 0.495 120.902 120.400 0.011 0.000 2.097 470 K HA -0.198 4.123 4.320 0.002 0.000 0.206 470 K C 2.141 178.687 176.600 -0.089 0.000 1.049 470 K CA 1.627 57.896 56.287 -0.031 0.000 0.933 470 K CB -0.084 32.388 32.500 -0.046 0.000 0.717 470 K HN 0.332 nan 8.250 nan 0.000 0.442 471 E N 0.100 120.197 120.200 -0.172 0.000 2.118 471 E HA -0.152 4.199 4.350 0.002 0.000 0.195 471 E C -0.045 176.242 176.600 -0.522 0.000 0.992 471 E CA 0.987 57.136 56.400 -0.417 0.000 0.804 471 E CB 0.135 29.454 29.700 -0.635 0.000 0.741 471 E HN 0.078 nan 8.360 nan 0.000 0.458 483 V N 2.545 122.465 119.914 0.009 0.000 2.508 483 V HA 0.242 4.363 4.120 0.002 0.000 0.281 483 V C -1.630 174.483 176.094 0.031 0.000 1.041 483 V CA -0.743 61.555 62.300 -0.003 0.000 1.016 483 V CB 0.463 32.307 31.823 0.035 0.000 0.984 483 V HN 0.403 nan 8.190 nan 0.000 0.478 484 P HA 0.067 nan 4.420 nan 0.000 0.267 484 P C -0.571 176.778 177.300 0.081 0.000 1.205 484 P CA -0.255 62.877 63.100 0.054 0.000 0.765 484 P CB 0.582 32.316 31.700 0.058 0.000 0.828 485 D N 5.142 125.589 120.400 0.079 0.000 2.382 485 D HA 0.016 4.656 4.640 0.002 0.000 0.259 485 D C -1.179 175.178 176.300 0.096 0.000 1.224 485 D CA -2.070 51.984 54.000 0.089 0.000 0.894 485 D CB 0.655 41.499 40.800 0.073 0.000 1.127 485 D HN 0.181 nan 8.370 nan 0.000 0.487 486 P HA -0.159 nan 4.420 nan 0.000 0.219 486 P C 0.894 178.212 177.300 0.031 0.000 1.146 486 P CA 0.996 64.128 63.100 0.053 0.000 0.808 486 P CB 0.369 32.122 31.700 0.089 0.000 0.779 487 Q N -0.738 119.098 119.800 0.061 0.000 2.432 487 Q HA 0.153 4.494 4.340 0.002 0.000 0.205 487 Q C 0.956 176.991 176.000 0.058 0.000 0.945 487 Q CA 0.127 55.962 55.803 0.053 0.000 0.924 487 Q CB -0.061 28.717 28.738 0.067 0.000 1.016 487 Q HN 0.169 nan 8.270 nan 0.000 0.503 488 A N 1.080 123.942 122.820 0.069 0.000 2.401 488 A HA 0.070 4.391 4.320 0.002 0.000 0.259 488 A C 0.891 178.526 177.584 0.086 0.000 1.103 488 A CA -0.209 51.870 52.037 0.070 0.000 0.789 488 A CB 0.424 19.463 19.000 0.066 0.000 1.035 488 A HN 0.185 nan 8.150 nan 0.000 0.491 489 E N 0.928 121.178 120.200 0.084 0.000 2.130 489 E HA -0.287 4.064 4.350 0.002 0.000 0.196 489 E C 1.768 178.443 176.600 0.124 0.000 0.998 489 E CA 1.775 58.247 56.400 0.121 0.000 0.806 489 E CB 0.019 29.782 29.700 0.106 0.000 0.738 489 E HN 0.836 nan 8.360 nan 0.000 0.459 490 Q N 0.265 120.112 119.800 0.078 0.000 2.181 490 Q HA -0.140 4.201 4.340 0.002 0.000 0.205 490 Q C 1.936 177.964 176.000 0.047 0.000 0.980 490 Q CA 1.934 57.768 55.803 0.051 0.000 0.862 490 Q CB -0.286 28.478 28.738 0.042 0.000 0.905 490 Q HN 0.170 nan 8.270 nan 0.000 0.429 491 T N 0.149 114.750 114.554 0.079 0.000 2.821 491 T HA -0.111 4.239 4.350 0.002 0.000 0.267 491 T C 1.223 175.963 174.700 0.066 0.000 1.046 491 T CA 1.162 63.321 62.100 0.098 0.000 1.139 491 T CB -0.456 68.495 68.868 0.138 0.000 0.871 491 T HN 0.379 nan 8.240 nan 0.000 0.454 492 F N 2.020 121.843 119.950 -0.211 0.000 2.084 492 F HA 0.043 4.571 4.527 0.002 0.000 0.296 492 F C 1.877 177.477 175.800 -0.334 0.000 1.111 492 F CA 0.995 58.618 58.000 -0.628 0.000 1.224 492 F CB -0.727 37.950 39.000 -0.538 0.000 0.991 492 F HN 0.032 nan 8.300 nan 0.000 0.471 493 L N 0.262 121.291 121.223 -0.324 0.000 2.083 493 L HA -0.257 4.084 4.340 0.002 0.000 0.209 493 L C 2.271 179.020 176.870 -0.201 0.000 1.083 493 L CA 1.178 55.811 54.840 -0.345 0.000 0.752 493 L CB -1.028 40.947 42.059 -0.138 0.000 0.899 493 L HN 0.172 nan 8.230 nan 0.000 0.433 494 N N 0.037 118.677 118.700 -0.099 0.000 2.091 494 N HA -0.190 4.551 4.740 0.002 0.000 0.193 494 N C 1.859 177.362 175.510 -0.011 0.000 1.021 494 N CA 1.841 54.875 53.050 -0.027 0.000 0.862 494 N CB -0.324 38.174 38.487 0.018 0.000 1.018 494 N HN 0.195 nan 8.380 nan 0.000 0.429 495 S N 0.209 115.886 115.700 -0.038 0.000 2.562 495 S HA 0.063 4.534 4.470 0.002 0.000 0.221 495 S C 0.424 175.086 174.600 0.104 0.000 0.975 495 S CA 0.147 58.400 58.200 0.089 0.000 0.918 495 S CB 0.266 63.537 63.200 0.119 0.000 0.772 495 S HN 0.189 nan 8.310 nan 0.000 0.531 496 K N 2.131 122.495 120.400 -0.059 0.000 2.451 496 K HA 0.133 4.454 4.320 0.002 0.000 0.280 496 K C 0.013 176.641 176.600 0.046 0.000 1.020 496 K CA 0.067 56.340 56.287 -0.024 0.000 1.008 496 K CB 0.366 32.796 32.500 -0.116 0.000 0.917 496 K HN 0.292 nan 8.250 nan 0.000 0.478 497 L N 2.718 123.982 121.223 0.067 0.000 2.490 497 L HA -0.024 4.317 4.340 0.002 0.000 0.274 497 L C 1.012 177.850 176.870 -0.054 0.000 1.201 497 L CA -0.019 54.795 54.840 -0.043 0.000 0.869 497 L CB 0.014 41.916 42.059 -0.261 0.000 1.123 497 L HN 0.506 nan 8.230 nan 0.000 0.484 498 N N 2.276 120.951 118.700 -0.042 0.000 2.589 498 N HA 0.062 4.803 4.740 0.002 0.000 0.232 498 N C 0.301 175.692 175.510 -0.198 0.000 1.015 498 N CA -0.297 52.725 53.050 -0.047 0.000 0.931 498 N CB 0.611 39.085 38.487 -0.022 0.000 1.150 498 N HN 0.476 nan 8.380 nan 0.000 0.512 499 W N 2.835 124.025 121.300 -0.184 0.000 2.402 499 W HA 0.018 4.679 4.660 0.001 0.000 0.286 499 W C 2.160 178.357 176.519 -0.537 0.000 1.221 499 W CA 1.087 58.167 57.345 -0.440 0.000 1.257 499 W CB -0.054 29.190 29.460 -0.360 0.000 1.120 499 W HN 0.713 nan 8.180 nan 0.000 0.551 500 A N 0.888 123.629 122.820 -0.131 0.000 2.015 500 A HA -0.224 4.097 4.320 0.002 0.000 0.219 500 A C 1.874 179.314 177.584 -0.240 0.000 1.163 500 A CA 1.746 53.689 52.037 -0.156 0.000 0.646 500 A CB -0.910 18.043 19.000 -0.079 0.000 0.806 500 A HN 0.536 nan 8.150 nan 0.000 0.448 501 E N 0.815 120.821 120.200 -0.323 0.000 2.268 501 E HA -0.252 4.099 4.350 0.002 0.000 0.195 501 E C 1.861 178.218 176.600 -0.406 0.000 0.995 501 E CA 1.006 57.215 56.400 -0.318 0.000 0.836 501 E CB -0.489 28.969 29.700 -0.403 0.000 0.763 501 E HN 0.781 nan 8.360 nan 0.000 0.491 502 R N 1.228 121.286 120.500 -0.736 0.000 2.285 502 R HA -0.074 4.266 4.340 0.002 0.000 0.213 502 R C 1.203 177.381 176.300 -0.204 0.000 1.068 502 R CA 1.333 57.040 56.100 -0.656 0.000 1.004 502 R CB -0.212 29.369 30.300 -1.199 0.000 0.873 502 R HN 0.254 nan 8.270 nan 0.000 0.467 503 E N 0.760 120.860 120.200 -0.168 0.000 2.427 503 E HA 0.073 4.424 4.350 0.002 0.000 0.196 503 E C 0.479 177.082 176.600 0.005 0.000 1.028 503 E CA 0.500 56.865 56.400 -0.059 0.000 0.864 503 E CB 0.518 30.178 29.700 -0.066 0.000 0.813 503 E HN 0.529 nan 8.360 nan 0.000 0.514 504 G N -0.507 108.317 108.800 0.039 0.000 2.605 504 G HA2 0.510 4.471 3.960 0.002 0.000 0.296 504 G HA3 0.510 4.471 3.960 0.002 0.000 0.296 504 G C 0.203 175.170 174.900 0.112 0.000 1.304 504 G CA -0.272 44.871 45.100 0.072 0.000 0.941 504 G HN 0.157 nan 8.290 nan 0.000 0.475 505 G N 0.327 109.172 108.800 0.075 0.000 2.582 505 G HA2 -0.279 3.682 3.960 0.002 0.000 0.288 505 G HA3 -0.279 3.682 3.960 0.002 0.000 0.288 505 G C 0.942 175.867 174.900 0.041 0.000 1.247 505 G CA 0.676 45.805 45.100 0.049 0.000 0.972 505 G HN 0.691 nan 8.290 nan 0.000 0.557 506 E N 0.386 120.567 120.200 -0.031 0.000 2.274 506 E HA -0.059 4.292 4.350 0.002 0.000 0.194 506 E C 2.105 178.707 176.600 0.002 0.000 0.996 506 E CA 1.193 57.576 56.400 -0.029 0.000 0.840 506 E CB -0.279 29.375 29.700 -0.076 0.000 0.772 506 E HN 0.652 nan 8.360 nan 0.000 0.491 507 H N 0.557 119.702 119.070 0.125 0.000 2.321 507 H HA -0.012 4.545 4.556 0.001 0.000 0.300 507 H C 2.051 177.481 175.328 0.170 0.000 1.087 507 H CA 1.438 57.594 56.048 0.180 0.000 1.319 507 H CB -0.269 29.592 29.762 0.166 0.000 1.379 507 H HN 0.172 nan 8.280 nan 0.000 0.501 508 A N 1.154 124.111 122.820 0.228 0.000 1.933 508 A HA -0.170 4.151 4.320 0.002 0.000 0.218 508 A C 2.518 180.199 177.584 0.163 0.000 1.175 508 A CA 1.419 53.554 52.037 0.164 0.000 0.628 508 A CB -0.481 18.582 19.000 0.106 0.000 0.814 508 A HN 0.273 nan 8.150 nan 0.000 0.444 509 R N -0.922 119.664 120.500 0.144 0.000 2.096 509 R HA -0.101 4.239 4.340 0.002 0.000 0.235 509 R C 2.132 178.538 176.300 0.176 0.000 1.127 509 R CA 1.890 58.070 56.100 0.134 0.000 0.968 509 R CB -0.416 29.950 30.300 0.110 0.000 0.861 509 R HN 0.522 nan 8.270 nan 0.000 0.440 510 T N 1.374 116.061 114.554 0.221 0.000 2.777 510 T HA -0.133 4.218 4.350 0.002 0.000 0.266 510 T C 1.563 176.482 174.700 0.365 0.000 1.040 510 T CA 1.004 63.286 62.100 0.303 0.000 1.141 510 T CB -0.171 68.892 68.868 0.326 0.000 0.868 510 T HN 0.107 nan 8.240 nan 0.000 0.444 511 L N 1.638 123.055 121.223 0.322 0.000 2.046 511 L HA 0.059 4.399 4.340 0.002 0.000 0.208 511 L C 2.480 179.513 176.870 0.270 0.000 1.077 511 L CA 1.708 56.743 54.840 0.326 0.000 0.747 511 L CB -0.660 41.593 42.059 0.324 0.000 0.896 511 L HN 0.085 nan 8.230 nan 0.000 0.432 512 R N -0.856 119.767 120.500 0.205 0.000 2.091 512 R HA -0.209 4.131 4.340 0.002 0.000 0.238 512 R C 2.288 178.670 176.300 0.137 0.000 1.136 512 R CA 1.988 58.177 56.100 0.148 0.000 0.959 512 R CB -0.502 29.866 30.300 0.113 0.000 0.856 512 R HN 0.424 nan 8.270 nan 0.000 0.437 513 L N 0.067 121.382 121.223 0.153 0.000 2.046 513 L HA -0.150 4.191 4.340 0.002 0.000 0.208 513 L C 1.766 178.668 176.870 0.053 0.000 1.077 513 L CA 1.723 56.613 54.840 0.083 0.000 0.747 513 L CB -0.675 41.420 42.059 0.061 0.000 0.896 513 L HN 0.173 nan 8.230 nan 0.000 0.432 514 Y N 0.127 120.459 120.300 0.053 0.000 2.165 514 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 514 Y C 2.761 178.683 175.900 0.036 0.000 1.155 514 Y CA 1.904 60.031 58.100 0.046 0.000 1.164 514 Y CB -0.310 38.205 38.460 0.091 0.000 0.978 514 Y HN 0.153 nan 8.280 nan 0.000 0.513 515 R N -0.124 120.491 120.500 0.191 0.000 2.091 515 R HA -0.178 4.163 4.340 0.002 0.000 0.238 515 R C 1.661 177.992 176.300 0.052 0.000 1.136 515 R CA 1.669 57.829 56.100 0.100 0.000 0.959 515 R CB -0.409 29.945 30.300 0.090 0.000 0.856 515 R HN 0.359 nan 8.270 nan 0.000 0.437 516 D N 0.701 121.125 120.400 0.041 0.000 2.117 516 D HA -0.111 4.530 4.640 0.002 0.000 0.198 516 D C 2.021 178.310 176.300 -0.018 0.000 0.982 516 D CA 0.975 54.981 54.000 0.011 0.000 0.828 516 D CB -0.155 40.651 40.800 0.009 0.000 0.967 516 D HN 0.161 nan 8.370 nan 0.000 0.464 517 L N 0.159 121.350 121.223 -0.053 0.000 2.056 517 L HA -0.111 4.230 4.340 0.002 0.000 0.207 517 L C 2.475 179.312 176.870 -0.055 0.000 1.078 517 L CA 0.617 55.402 54.840 -0.093 0.000 0.749 517 L CB -0.246 41.693 42.059 -0.199 0.000 0.901 517 L HN 0.026 nan 8.230 nan 0.000 0.433 518 L N -0.734 120.476 121.223 -0.021 0.000 2.141 518 L HA -0.174 4.167 4.340 0.002 0.000 0.209 518 L C 2.772 179.643 176.870 0.003 0.000 1.094 518 L CA 0.949 55.789 54.840 0.000 0.000 0.763 518 L CB -0.443 41.636 42.059 0.034 0.000 0.908 518 L HN 0.233 nan 8.230 nan 0.000 0.437 519 R N 0.393 120.896 120.500 0.005 0.000 2.066 519 R HA -0.193 4.148 4.340 0.002 0.000 0.232 519 R C 2.343 178.647 176.300 0.007 0.000 1.131 519 R CA 1.354 57.460 56.100 0.009 0.000 0.955 519 R CB -0.267 30.040 30.300 0.011 0.000 0.851 519 R HN 0.174 nan 8.270 nan 0.000 0.432 520 L N 1.472 122.690 121.223 -0.008 0.000 2.042 520 L HA -0.179 4.161 4.340 0.002 0.000 0.210 520 L C 2.568 179.431 176.870 -0.012 0.000 1.076 520 L CA 1.845 56.674 54.840 -0.019 0.000 0.749 520 L CB -0.502 41.536 42.059 -0.035 0.000 0.893 520 L HN 0.167 nan 8.230 nan 0.000 0.432 521 R N -0.755 119.741 120.500 -0.007 0.000 2.081 521 R HA -0.207 4.133 4.340 0.002 0.000 0.235 521 R C 2.572 178.918 176.300 0.076 0.000 1.131 521 R CA 1.790 57.898 56.100 0.013 0.000 0.960 521 R CB -0.269 30.023 30.300 -0.012 0.000 0.856 521 R HN 0.363 nan 8.270 nan 0.000 0.436 522 R N 0.215 120.753 120.500 0.063 0.000 2.090 522 R HA -0.092 4.249 4.340 0.002 0.000 0.228 522 R C 1.412 177.841 176.300 0.216 0.000 1.110 522 R CA 1.776 57.932 56.100 0.095 0.000 0.973 522 R CB 0.101 30.427 30.300 0.043 0.000 0.869 522 R HN 0.341 nan 8.270 nan 0.000 0.440 523 E N -0.158 120.116 120.200 0.123 0.000 2.307 523 E HA -0.028 4.323 4.350 0.002 0.000 0.195 523 E C -0.231 176.338 176.600 -0.050 0.000 0.975 523 E CA -0.154 56.299 56.400 0.089 0.000 0.878 523 E CB 0.258 29.977 29.700 0.030 0.000 0.845 523 E HN 0.268 nan 8.360 nan 0.000 0.488 524 D N 2.004 122.325 120.400 -0.133 0.000 2.343 524 D HA -0.002 4.639 4.640 0.002 0.000 0.255 524 D C -1.580 174.365 176.300 -0.590 0.000 1.187 524 D CA -1.789 52.066 54.000 -0.242 0.000 0.875 524 D CB 1.431 42.146 40.800 -0.142 0.000 1.136 524 D HN -0.069 nan 8.370 nan 0.000 0.469 525 P HA -0.101 nan 4.420 nan 0.000 0.223 525 P C 1.444 178.526 177.300 -0.364 0.000 1.151 525 P CA 0.367 63.108 63.100 -0.599 0.000 0.787 525 P CB 0.546 32.106 31.700 -0.234 0.000 0.788 526 V N 0.157 119.930 119.914 -0.236 0.000 2.446 526 V HA -0.092 4.029 4.120 0.002 0.000 0.244 526 V C 2.642 178.678 176.094 -0.097 0.000 1.039 526 V CA 1.052 63.276 62.300 -0.127 0.000 1.045 526 V CB -1.039 30.729 31.823 -0.093 0.000 0.681 526 V HN -0.006 nan 8.190 nan 0.000 0.459 527 L N -0.349 120.803 121.223 -0.118 0.000 2.353 527 L HA -0.160 4.181 4.340 0.002 0.000 0.220 527 L C 2.294 179.191 176.870 0.045 0.000 1.133 527 L CA 1.296 56.108 54.840 -0.046 0.000 0.798 527 L CB -0.896 41.137 42.059 -0.043 0.000 0.922 527 L HN 0.501 nan 8.230 nan 0.000 0.445 528 H N -0.687 118.357 119.070 -0.044 0.000 2.518 528 H HA -0.112 4.445 4.556 0.001 0.000 0.289 528 H C 1.062 176.361 175.328 -0.048 0.000 1.051 528 H CA -0.277 55.744 56.048 -0.045 0.000 1.280 528 H CB -0.090 29.649 29.762 -0.038 0.000 1.380 528 H HN 0.331 nan 8.280 nan 0.000 0.566 529 N N 1.288 120.028 118.700 0.066 0.000 2.293 529 N HA -0.130 4.611 4.740 0.002 0.000 0.253 529 N C 0.305 175.809 175.510 -0.010 0.000 1.248 529 N CA 0.402 53.459 53.050 0.012 0.000 0.845 529 N CB 0.530 39.008 38.487 -0.015 0.000 1.073 529 N HN 0.102 nan 8.380 nan 0.000 0.464 530 R N 1.913 122.400 120.500 -0.022 0.000 2.616 530 R HA 0.166 4.507 4.340 0.002 0.000 0.427 530 R C -0.633 175.643 176.300 -0.039 0.000 1.030 530 R CA -0.152 55.924 56.100 -0.039 0.000 1.133 530 R CB 0.121 30.397 30.300 -0.040 0.000 1.444 530 R HN 0.692 nan 8.270 nan 0.000 0.578 531 Q N 0.026 119.803 119.800 -0.037 0.000 2.331 531 Q HA 0.408 4.749 4.340 0.002 0.000 0.267 531 Q C 0.642 176.614 176.000 -0.045 0.000 1.006 531 Q CA -0.432 55.350 55.803 -0.036 0.000 0.818 531 Q CB 2.484 31.205 28.738 -0.029 0.000 1.276 531 Q HN -0.093 nan 8.270 nan 0.000 0.450 532 R N 1.304 121.775 120.500 -0.048 0.000 2.148 532 R HA -0.186 4.155 4.340 0.002 0.000 0.227 532 R C 1.680 177.948 176.300 -0.052 0.000 1.103 532 R CA 1.171 57.232 56.100 -0.066 0.000 0.983 532 R CB 0.185 30.441 30.300 -0.074 0.000 0.874 532 R HN 0.720 nan 8.270 nan 0.000 0.451 533 E N 0.946 121.124 120.200 -0.038 0.000 2.171 533 E HA -0.196 4.155 4.350 0.002 0.000 0.197 533 E C 0.773 177.356 176.600 -0.029 0.000 0.997 533 E CA 1.158 57.540 56.400 -0.029 0.000 0.810 533 E CB 0.117 29.803 29.700 -0.023 0.000 0.738 533 E HN 0.270 nan 8.360 nan 0.000 0.467 534 N N 0.154 118.834 118.700 -0.033 0.000 2.280 534 N HA 0.071 4.812 4.740 0.002 0.000 0.192 534 N C -0.600 174.889 175.510 -0.035 0.000 1.109 534 N CA 0.076 53.105 53.050 -0.035 0.000 0.855 534 N CB 0.541 39.007 38.487 -0.036 0.000 0.974 534 N HN 0.125 nan 8.380 nan 0.000 0.482 535 L N 1.080 122.283 121.223 -0.034 0.000 2.313 535 L HA 0.462 4.802 4.340 0.002 0.000 0.283 535 L C -0.169 176.698 176.870 -0.006 0.000 1.013 535 L CA -0.260 54.565 54.840 -0.026 0.000 0.816 535 L CB 1.480 43.507 42.059 -0.054 0.000 1.236 535 L HN 0.019 nan 8.230 nan 0.000 0.419 536 T N 0.287 114.872 114.554 0.051 0.000 2.916 536 T HA 0.912 5.263 4.350 0.002 0.000 0.292 536 T C -0.261 174.469 174.700 0.051 0.000 1.055 536 T CA -0.280 61.875 62.100 0.090 0.000 1.009 536 T CB 1.813 70.814 68.868 0.221 0.000 1.118 536 T HN 0.732 nan 8.240 nan 0.000 0.497 537 T N -1.984 112.428 114.554 -0.238 0.000 2.883 537 T HA 0.918 5.269 4.350 0.002 0.000 0.296 537 T C -0.017 173.885 174.700 -1.329 0.000 1.117 537 T CA -0.332 61.350 62.100 -0.697 0.000 1.006 537 T CB 1.670 70.339 68.868 -0.331 0.000 1.191 537 T HN 1.465 nan 8.240 nan 0.000 0.508 538 G N 0.251 107.900 108.800 -1.918 0.000 2.561 538 G HA2 0.680 4.641 3.960 0.002 0.000 0.310 538 G HA3 0.680 4.641 3.960 0.002 0.000 0.310 538 G C -1.654 172.787 174.900 -0.765 0.000 1.292 538 G CA -0.461 43.938 45.100 -1.169 0.000 0.811 538 G HN 1.482 nan 8.290 nan 0.000 0.482 539 H N -1.776 117.130 119.070 -0.273 0.000 3.037 539 H HA 0.746 5.303 4.556 0.002 0.000 0.355 539 H C -2.129 173.300 175.328 0.169 0.000 1.263 539 H CA -0.831 55.199 56.048 -0.030 0.000 1.129 539 H CB 2.765 32.495 29.762 -0.053 0.000 1.861 539 H HN 0.517 nan 8.280 nan 0.000 0.546 540 D N 1.496 121.964 120.400 0.112 0.000 2.473 540 D HA 0.397 5.038 4.640 0.002 0.000 0.253 540 D C 1.066 177.428 176.300 0.104 0.000 1.233 540 D CA 0.894 54.906 54.000 0.020 0.000 0.908 540 D CB 0.970 41.803 40.800 0.056 0.000 1.170 540 D HN 1.133 nan 8.370 nan 0.000 0.558 541 G N 4.539 113.425 108.800 0.144 0.000 2.596 541 G HA2 -0.321 3.640 3.960 0.002 0.000 0.304 541 G HA3 -0.321 3.640 3.960 0.002 0.000 0.304 541 G C 0.513 175.492 174.900 0.132 0.000 1.189 541 G CA 0.483 45.662 45.100 0.130 0.000 0.986 541 G HN 0.567 nan 8.290 nan 0.000 0.548 542 D N 0.678 121.107 120.400 0.049 0.000 2.342 542 D HA 0.302 4.943 4.640 0.002 0.000 0.221 542 D C 0.614 176.902 176.300 -0.020 0.000 1.101 542 D CA 0.316 54.308 54.000 -0.013 0.000 0.837 542 D CB 0.610 41.376 40.800 -0.057 0.000 0.938 542 D HN 0.275 nan 8.370 nan 0.000 0.508 543 V N 2.206 122.154 119.914 0.057 0.000 2.383 543 V HA 0.162 4.283 4.120 0.002 0.000 0.275 543 V C 0.114 176.296 176.094 0.147 0.000 1.036 543 V CA -0.871 61.483 62.300 0.090 0.000 0.889 543 V CB 1.580 33.478 31.823 0.125 0.000 0.985 543 V HN 0.001 nan 8.190 nan 0.000 0.459 544 L N 7.440 128.739 121.223 0.126 0.000 2.350 544 L HA 0.576 4.917 4.340 0.002 0.000 0.275 544 L C -0.443 176.586 176.870 0.265 0.000 1.099 544 L CA -0.022 54.900 54.840 0.137 0.000 0.808 544 L CB 0.844 42.984 42.059 0.135 0.000 1.149 544 L HN 0.775 nan 8.230 nan 0.000 0.442 545 W N 4.773 126.180 121.300 0.179 0.000 2.819 545 W HA 0.749 5.410 4.660 0.002 0.000 0.337 545 W C -2.066 174.556 176.519 0.173 0.000 1.077 545 W CA -1.164 56.291 57.345 0.183 0.000 1.226 545 W CB 0.976 30.561 29.460 0.208 0.000 1.419 545 W HN 0.329 nan 8.180 nan 0.000 0.502 546 V N 4.014 124.208 119.914 0.467 0.000 2.482 546 V HA 0.436 4.557 4.120 0.002 0.000 0.295 546 V C -0.242 176.052 176.094 0.334 0.000 1.026 546 V CA -0.778 61.699 62.300 0.294 0.000 0.856 546 V CB 1.553 33.467 31.823 0.151 0.000 1.001 546 V HN 0.662 nan 8.190 nan 0.000 0.424 547 R N 2.559 123.264 120.500 0.341 0.000 2.514 547 R HA 0.736 5.077 4.340 0.002 0.000 0.301 547 R C -0.934 175.375 176.300 0.014 0.000 0.962 547 R CA -0.269 55.897 56.100 0.110 0.000 0.882 547 R CB 1.841 32.074 30.300 -0.111 0.000 1.143 547 R HN 0.716 nan 8.270 nan 0.000 0.452 548 T N 3.364 117.894 114.554 -0.041 0.000 2.812 548 T HA 0.396 4.747 4.350 0.002 0.000 0.282 548 T C -1.059 173.590 174.700 -0.084 0.000 0.990 548 T CA -0.497 61.572 62.100 -0.052 0.000 0.960 548 T CB 1.621 70.465 68.868 -0.040 0.000 0.948 548 T HN 0.256 nan 8.240 nan 0.000 0.438 549 V N 4.052 123.916 119.914 -0.082 0.000 2.483 549 V HA 0.740 4.861 4.120 0.002 0.000 0.297 549 V C 0.357 176.416 176.094 -0.059 0.000 1.027 549 V CA -0.729 61.520 62.300 -0.085 0.000 0.855 549 V CB 1.661 33.422 31.823 -0.104 0.000 0.995 549 V HN 1.123 nan 8.190 nan 0.000 0.424 550 T N 0.845 115.368 114.554 -0.052 0.000 2.742 550 T HA 0.548 4.898 4.350 0.002 0.000 0.282 550 T C 1.258 175.936 174.700 -0.036 0.000 1.025 550 T CA 0.106 62.182 62.100 -0.039 0.000 1.020 550 T CB 1.597 70.446 68.868 -0.032 0.000 1.317 550 T HN 0.670 nan 8.240 nan 0.000 0.538 551 G N -0.347 108.437 108.800 -0.028 0.000 2.498 551 G HA2 0.157 4.118 3.960 0.002 0.000 0.219 551 G HA3 0.157 4.118 3.960 0.002 0.000 0.219 551 G C 1.359 176.243 174.900 -0.028 0.000 1.119 551 G CA 0.670 45.755 45.100 -0.025 0.000 0.766 551 G HN 1.143 nan 8.290 nan 0.000 0.552 552 A N -0.808 121.992 122.820 -0.033 0.000 2.218 552 A HA 0.590 4.911 4.320 0.002 0.000 0.209 552 A C 1.335 178.891 177.584 -0.048 0.000 1.168 552 A CA 1.389 53.401 52.037 -0.041 0.000 0.804 552 A CB -0.111 18.857 19.000 -0.053 0.000 0.834 552 A HN 1.530 nan 8.150 nan 0.000 0.482 553 G N -1.200 107.571 108.800 -0.047 0.000 2.302 553 G HA2 0.302 4.263 3.960 0.002 0.000 0.276 553 G HA3 0.302 4.263 3.960 0.002 0.000 0.276 553 G C -1.186 173.678 174.900 -0.059 0.000 1.316 553 G CA -0.135 44.936 45.100 -0.050 0.000 0.988 553 G HN 0.491 nan 8.290 nan 0.000 0.479 554 E N -0.066 120.097 120.200 -0.060 0.000 2.308 554 E HA 0.644 4.995 4.350 0.002 0.000 0.275 554 E C -0.921 175.642 176.600 -0.062 0.000 0.890 554 E CA -0.933 55.421 56.400 -0.077 0.000 0.754 554 E CB 1.432 31.072 29.700 -0.100 0.000 1.207 554 E HN 0.473 nan 8.360 nan 0.000 0.426 555 R N 1.951 122.414 120.500 -0.061 0.000 2.750 555 R HA 0.610 4.951 4.340 0.002 0.000 0.281 555 R C -1.158 175.135 176.300 -0.013 0.000 0.972 555 R CA -0.981 55.099 56.100 -0.032 0.000 0.912 555 R CB 2.044 32.325 30.300 -0.031 0.000 1.187 555 R HN 0.329 nan 8.270 nan 0.000 0.464 556 V N 3.304 123.239 119.914 0.034 0.000 2.577 556 V HA 0.353 4.474 4.120 0.002 0.000 0.303 556 V C -0.654 175.509 176.094 0.116 0.000 1.042 556 V CA -0.921 61.444 62.300 0.109 0.000 0.872 556 V CB 2.252 34.181 31.823 0.176 0.000 0.998 556 V HN 0.532 nan 8.190 nan 0.000 0.423 557 L N 6.264 127.574 121.223 0.145 0.000 2.276 557 L HA 0.598 4.939 4.340 0.002 0.000 0.286 557 L C -0.796 176.199 176.870 0.209 0.000 1.061 557 L CA 0.222 55.135 54.840 0.122 0.000 0.807 557 L CB 0.811 42.919 42.059 0.082 0.000 1.177 557 L HN 0.558 nan 8.230 nan 0.000 0.429 558 L N 5.320 126.648 121.223 0.175 0.000 2.316 558 L HA 0.342 4.683 4.340 0.002 0.000 0.280 558 L C -1.416 175.606 176.870 0.253 0.000 1.006 558 L CA -0.433 54.544 54.840 0.229 0.000 0.836 558 L CB 1.394 43.556 42.059 0.172 0.000 1.221 558 L HN 0.652 nan 8.230 nan 0.000 0.418 559 W N 4.955 126.294 121.300 0.065 0.000 2.411 559 W HA 0.313 4.974 4.660 0.001 0.000 0.317 559 W C -0.203 176.340 176.519 0.041 0.000 1.030 559 W CA -1.341 56.021 57.345 0.029 0.000 1.239 559 W CB 1.267 30.742 29.460 0.025 0.000 1.304 559 W HN 0.349 nan 8.180 nan 0.000 0.437 560 N N 5.580 124.404 118.700 0.206 0.000 2.415 560 N HA 0.037 4.778 4.740 0.002 0.000 0.250 560 N C 0.549 175.932 175.510 -0.211 0.000 1.127 560 N CA 0.063 53.120 53.050 0.012 0.000 0.945 560 N CB 0.647 39.182 38.487 0.080 0.000 1.196 560 N HN 0.385 nan 8.380 nan 0.000 0.499 561 L N 1.855 122.848 121.223 -0.382 0.000 2.478 561 L HA 0.219 4.560 4.340 0.002 0.000 0.223 561 L C 1.516 178.250 176.870 -0.227 0.000 1.140 561 L CA 0.426 54.977 54.840 -0.482 0.000 0.842 561 L CB -1.621 40.115 42.059 -0.539 0.000 0.953 561 L HN 0.505 nan 8.230 nan 0.000 0.452 562 G N -0.889 107.835 108.800 -0.128 0.000 2.611 562 G HA2 0.153 4.114 3.960 0.002 0.000 0.273 562 G HA3 0.153 4.114 3.960 0.002 0.000 0.273 562 G C 0.627 175.506 174.900 -0.035 0.000 1.305 562 G CA -0.243 44.817 45.100 -0.066 0.000 1.010 562 G HN 0.188 nan 8.290 nan 0.000 0.509 563 Q N -0.495 119.294 119.800 -0.018 0.000 2.319 563 Q HA 0.112 4.453 4.340 0.002 0.000 0.209 563 Q C 0.205 176.213 176.000 0.013 0.000 0.884 563 Q CA 0.217 56.018 55.803 -0.004 0.000 0.938 563 Q CB 0.557 29.289 28.738 -0.010 0.000 1.098 563 Q HN 0.786 nan 8.270 nan 0.000 0.517 564 D N -0.493 119.916 120.400 0.015 0.000 2.569 564 D HA 0.246 4.887 4.640 0.002 0.000 0.266 564 D C -0.334 175.991 176.300 0.041 0.000 1.164 564 D CA -0.623 53.392 54.000 0.025 0.000 1.071 564 D CB 0.459 41.269 40.800 0.018 0.000 1.183 564 D HN -0.348 nan 8.370 nan 0.000 0.613 565 T N 0.432 115.013 114.554 0.044 0.000 2.837 565 T HA 0.505 4.856 4.350 0.002 0.000 0.285 565 T C -0.076 174.654 174.700 0.050 0.000 0.984 565 T CA -0.699 61.435 62.100 0.057 0.000 1.049 565 T CB 0.709 69.611 68.868 0.057 0.000 0.947 565 T HN 0.134 nan 8.240 nan 0.000 0.472 566 R N 1.657 122.193 120.500 0.060 0.000 2.513 566 R HA 0.623 4.964 4.340 0.002 0.000 0.301 566 R C -0.583 175.752 176.300 0.058 0.000 0.968 566 R CA -0.710 55.420 56.100 0.051 0.000 0.872 566 R CB 1.855 32.186 30.300 0.051 0.000 1.177 566 R HN 0.737 nan 8.270 nan 0.000 0.444 567 A N 2.503 125.349 122.820 0.043 0.000 2.401 567 A HA 0.233 4.554 4.320 0.002 0.000 0.259 567 A C 1.353 178.958 177.584 0.035 0.000 1.103 567 A CA -0.477 51.585 52.037 0.042 0.000 0.789 567 A CB 0.583 19.600 19.000 0.028 0.000 1.035 567 A HN 0.539 nan 8.150 nan 0.000 0.491 568 V N 2.636 122.574 119.914 0.041 0.000 2.392 568 V HA -0.303 3.818 4.120 0.002 0.000 0.249 568 V C 2.827 178.920 176.094 -0.003 0.000 1.059 568 V CA 2.612 64.928 62.300 0.028 0.000 1.051 568 V CB -1.170 30.676 31.823 0.038 0.000 0.658 568 V HN 1.000 nan 8.190 nan 0.000 0.455 569 A N -0.415 122.403 122.820 -0.003 0.000 2.067 569 A HA -0.175 4.146 4.320 0.002 0.000 0.219 569 A C 2.002 179.567 177.584 -0.031 0.000 1.158 569 A CA 1.503 53.528 52.037 -0.021 0.000 0.661 569 A CB -0.332 18.660 19.000 -0.012 0.000 0.801 569 A HN 0.655 nan 8.150 nan 0.000 0.452 570 E N -0.588 119.601 120.200 -0.018 0.000 2.474 570 E HA 0.160 4.511 4.350 0.002 0.000 0.195 570 E C -0.513 176.070 176.600 -0.028 0.000 1.039 570 E CA -0.323 56.064 56.400 -0.021 0.000 0.881 570 E CB 0.510 30.206 29.700 -0.006 0.000 0.970 570 E HN 0.310 nan 8.360 nan 0.000 0.486 571 V N 2.689 122.583 119.914 -0.034 0.000 2.508 571 V HA 0.023 4.144 4.120 0.002 0.000 0.281 571 V C 0.329 176.363 176.094 -0.099 0.000 1.041 571 V CA -0.108 62.169 62.300 -0.038 0.000 1.016 571 V CB 0.724 32.538 31.823 -0.014 0.000 0.984 571 V HN 0.092 nan 8.190 nan 0.000 0.478 572 K N 6.267 126.615 120.400 -0.086 0.000 2.312 572 K HA 0.547 4.868 4.320 0.002 0.000 0.287 572 K C -0.846 175.627 176.600 -0.211 0.000 1.062 572 K CA -0.068 56.141 56.287 -0.130 0.000 0.934 572 K CB 0.574 33.026 32.500 -0.081 0.000 1.027 572 K HN 0.501 nan 8.250 nan 0.000 0.478 573 L N 4.496 125.490 121.223 -0.382 0.000 2.370 573 L HA 0.366 4.707 4.340 0.002 0.000 0.266 573 L C -1.539 174.968 176.870 -0.604 0.000 1.002 573 L CA -1.879 52.522 54.840 -0.732 0.000 0.818 573 L CB 2.172 43.438 42.059 -1.323 0.000 1.325 573 L HN 0.515 nan 8.230 nan 0.000 0.418 574 P HA 0.076 nan 4.420 nan 0.000 0.253 574 P C -0.772 176.478 177.300 -0.083 0.000 1.281 574 P CA 0.437 63.438 63.100 -0.165 0.000 0.792 574 P CB -0.253 31.486 31.700 0.065 0.000 1.193 575 F N -3.910 115.906 119.950 -0.224 0.000 2.745 575 F HA 0.580 5.108 4.527 0.001 0.000 0.316 575 F C -0.600 175.095 175.800 -0.175 0.000 1.155 575 F CA -1.402 56.487 58.000 -0.184 0.000 0.937 575 F CB 0.185 39.055 39.000 -0.216 0.000 1.361 575 F HN -0.519 nan 8.300 nan 0.000 0.472 576 T N 2.148 116.751 114.554 0.081 0.000 2.761 576 T HA 0.326 4.677 4.350 0.002 0.000 0.296 576 T C -0.280 174.475 174.700 0.092 0.000 0.934 576 T CA -0.291 61.805 62.100 -0.006 0.000 1.091 576 T CB 1.032 69.911 68.868 0.019 0.000 0.896 576 T HN 0.691 nan 8.240 nan 0.000 0.515 577 V N 7.326 127.205 119.914 -0.057 0.000 2.599 577 V HA 0.146 4.267 4.120 0.002 0.000 0.300 577 V C -1.871 174.259 176.094 0.061 0.000 1.034 577 V CA -1.595 60.722 62.300 0.028 0.000 1.115 577 V CB 0.564 32.346 31.823 -0.069 0.000 0.934 577 V HN 0.721 nan 8.190 nan 0.000 0.485 578 P HA 0.178 nan 4.420 nan 0.000 0.268 578 P C 0.100 177.416 177.300 0.027 0.000 1.208 578 P CA 0.132 63.257 63.100 0.042 0.000 0.777 578 P CB 0.399 32.119 31.700 0.034 0.000 0.875 579 R N 0.663 121.172 120.500 0.016 0.000 2.237 579 R HA 0.110 4.451 4.340 0.002 0.000 0.195 579 R C 0.992 177.301 176.300 0.014 0.000 0.956 579 R CA 0.073 56.181 56.100 0.012 0.000 1.029 579 R CB 0.146 30.449 30.300 0.006 0.000 0.972 579 R HN 0.376 nan 8.270 nan 0.000 0.493 580 R N 2.141 122.648 120.500 0.012 0.000 2.254 580 R HA 0.142 4.483 4.340 0.002 0.000 0.318 580 R C -0.452 175.858 176.300 0.017 0.000 1.031 580 R CA -0.316 55.791 56.100 0.011 0.000 0.905 580 R CB 0.630 30.932 30.300 0.003 0.000 1.050 580 R HN -0.007 nan 8.270 nan 0.000 0.456 581 L N 7.381 128.618 121.223 0.024 0.000 2.477 581 L HA 0.046 4.387 4.340 0.002 0.000 0.272 581 L C 0.005 176.889 176.870 0.024 0.000 1.157 581 L CA 0.543 55.403 54.840 0.035 0.000 0.889 581 L CB 0.603 42.690 42.059 0.047 0.000 1.158 581 L HN 0.955 nan 8.230 nan 0.000 0.473 582 L N 6.030 127.265 121.223 0.019 0.000 2.467 582 L HA 0.275 4.616 4.340 0.002 0.000 0.213 582 L C 0.186 177.062 176.870 0.010 0.000 1.053 582 L CA 0.266 55.110 54.840 0.007 0.000 0.847 582 L CB 0.370 42.424 42.059 -0.008 0.000 1.075 582 L HN 0.531 nan 8.230 nan 0.000 0.479 583 L N -0.883 120.350 121.223 0.016 0.000 2.549 583 L HA 0.461 4.802 4.340 0.002 0.000 0.259 583 L C -1.581 175.316 176.870 0.045 0.000 0.934 583 L CA -0.547 54.306 54.840 0.021 0.000 0.865 583 L CB 2.325 44.374 42.059 -0.018 0.000 1.352 583 L HN -0.087 nan 8.230 nan 0.000 0.410 584 H N 1.918 120.974 119.070 -0.024 0.000 2.589 584 H HA 0.302 4.859 4.556 0.002 0.000 0.351 584 H C 0.248 175.551 175.328 -0.042 0.000 1.074 584 H CA 0.331 56.365 56.048 -0.023 0.000 1.203 584 H CB 2.249 32.004 29.762 -0.012 0.000 1.558 584 H HN 0.852 nan 8.280 nan 0.000 0.522 585 T N 0.917 115.444 114.554 -0.046 0.000 3.007 585 T HA -0.055 4.296 4.350 0.002 0.000 0.270 585 T C 0.628 175.372 174.700 0.074 0.000 1.107 585 T CA 0.887 62.982 62.100 -0.009 0.000 1.118 585 T CB 0.226 69.026 68.868 -0.113 0.000 0.889 585 T HN 0.470 nan 8.240 nan 0.000 0.506 586 E N 0.632 120.997 120.200 0.274 0.000 2.558 586 E HA 0.321 4.672 4.350 0.002 0.000 0.205 586 E C 1.320 177.922 176.600 0.004 0.000 1.006 586 E CA 0.228 56.659 56.400 0.052 0.000 0.961 586 E CB 0.295 29.943 29.700 -0.086 0.000 1.044 586 E HN 0.626 nan 8.360 nan 0.000 0.465 587 G N 2.573 111.410 108.800 0.062 0.000 2.179 587 G HA2 -0.352 3.608 3.960 0.002 0.000 0.257 587 G HA3 -0.352 3.608 3.960 0.002 0.000 0.257 587 G C 0.275 175.081 174.900 -0.157 0.000 1.010 587 G CA 0.255 45.342 45.100 -0.022 0.000 0.736 587 G HN 0.191 nan 8.290 nan 0.000 0.513 588 R N -0.290 119.925 120.500 -0.474 0.000 2.641 588 R HA 0.353 4.694 4.340 0.002 0.000 0.269 588 R C 1.168 177.315 176.300 -0.256 0.000 1.074 588 R CA 0.226 56.039 56.100 -0.478 0.000 1.133 588 R CB 0.607 30.434 30.300 -0.788 0.000 1.029 588 R HN 0.468 nan 8.270 nan 0.000 0.488 589 E N 0.489 120.605 120.200 -0.140 0.000 2.190 589 E HA -0.038 4.313 4.350 0.002 0.000 0.191 589 E C -0.322 176.260 176.600 -0.031 0.000 0.978 589 E CA 0.639 57.003 56.400 -0.060 0.000 0.839 589 E CB 0.302 29.979 29.700 -0.039 0.000 0.787 589 E HN 0.478 nan 8.360 nan 0.000 0.473 590 D N 0.304 120.680 120.400 -0.040 0.000 2.277 590 D HA 0.196 4.836 4.640 0.002 0.000 0.250 590 D C -0.066 176.266 176.300 0.055 0.000 1.032 590 D CA -0.392 53.611 54.000 0.004 0.000 0.947 590 D CB 1.373 42.174 40.800 0.001 0.000 1.159 590 D HN -0.052 nan 8.370 nan 0.000 0.460 591 L N 1.492 122.757 121.223 0.070 0.000 2.391 591 L HA 0.174 4.515 4.340 0.002 0.000 0.249 591 L C -0.051 176.882 176.870 0.104 0.000 1.308 591 L CA 0.404 55.306 54.840 0.103 0.000 1.209 591 L CB -0.626 41.472 42.059 0.066 0.000 1.401 591 L HN 0.099 nan 8.230 nan 0.000 0.416 592 T N 2.160 116.806 114.554 0.154 0.000 3.011 592 T HA 0.464 4.815 4.350 0.002 0.000 0.303 592 T C -0.288 174.552 174.700 0.232 0.000 0.997 592 T CA -0.419 61.763 62.100 0.138 0.000 1.007 592 T CB 1.733 70.651 68.868 0.084 0.000 1.017 592 T HN 0.142 nan 8.240 nan 0.000 0.443 593 L N 3.140 124.465 121.223 0.170 0.000 2.277 593 L HA 0.563 4.904 4.340 0.002 0.000 0.284 593 L C 1.263 178.224 176.870 0.152 0.000 1.028 593 L CA -0.825 54.120 54.840 0.175 0.000 0.835 593 L CB 0.954 43.084 42.059 0.117 0.000 1.215 593 L HN 0.776 nan 8.230 nan 0.000 0.425 594 G N 2.091 110.998 108.800 0.179 0.000 2.699 594 G HA2 0.341 4.302 3.960 0.002 0.000 0.246 594 G HA3 0.341 4.302 3.960 0.002 0.000 0.246 594 G C 0.333 175.332 174.900 0.164 0.000 1.219 594 G CA -0.242 44.955 45.100 0.161 0.000 0.866 594 G HN 0.776 nan 8.290 nan 0.000 0.572 595 A N -0.588 122.318 122.820 0.144 0.000 2.561 595 A HA 0.490 4.811 4.320 0.002 0.000 0.251 595 A C 1.698 179.389 177.584 0.179 0.000 1.062 595 A CA 1.361 53.469 52.037 0.118 0.000 0.761 595 A CB -0.647 18.402 19.000 0.083 0.000 0.986 595 A HN 2.634 nan 8.150 nan 0.000 0.510 596 G N 1.948 110.841 108.800 0.154 0.000 2.195 596 G HA2 -0.207 3.754 3.960 0.002 0.000 0.246 596 G HA3 -0.207 3.754 3.960 0.002 0.000 0.246 596 G C 0.045 175.226 174.900 0.469 0.000 0.984 596 G CA 0.510 45.772 45.100 0.271 0.000 0.633 596 G HN 0.867 nan 8.290 nan 0.000 0.525 597 E N 0.325 120.720 120.200 0.325 0.000 2.283 597 E HA 0.690 5.041 4.350 0.002 0.000 0.267 597 E C 0.325 177.055 176.600 0.217 0.000 1.045 597 E CA 0.032 56.564 56.400 0.220 0.000 0.884 597 E CB 1.561 31.348 29.700 0.145 0.000 1.106 597 E HN 0.761 nan 8.360 nan 0.000 0.408 598 A N 1.353 124.143 122.820 -0.050 0.000 2.469 598 A HA 0.715 5.036 4.320 0.002 0.000 0.299 598 A C -1.401 175.992 177.584 -0.317 0.000 1.098 598 A CA -0.648 51.323 52.037 -0.109 0.000 0.737 598 A CB 2.049 20.912 19.000 -0.228 0.000 1.312 598 A HN 0.352 nan 8.150 nan 0.000 0.414 599 V N 1.128 120.929 119.914 -0.187 0.000 2.888 599 V HA 0.683 4.804 4.120 0.002 0.000 0.309 599 V C -1.818 174.243 176.094 -0.054 0.000 1.114 599 V CA -0.616 61.580 62.300 -0.175 0.000 0.940 599 V CB 1.879 33.615 31.823 -0.146 0.000 1.021 599 V HN 1.078 nan 8.190 nan 0.000 0.426 600 L N 7.280 128.480 121.223 -0.039 0.000 2.296 600 L HA 0.850 5.191 4.340 0.002 0.000 0.286 600 L C -0.475 176.400 176.870 0.008 0.000 1.023 600 L CA -0.030 54.804 54.840 -0.010 0.000 0.812 600 L CB 1.683 43.725 42.059 -0.029 0.000 1.223 600 L HN 0.681 nan 8.230 nan 0.000 0.421 601 V N 1.951 121.879 119.914 0.023 0.000 2.960 601 V HA 1.117 5.237 4.120 0.002 0.000 0.315 601 V C -0.042 176.061 176.094 0.014 0.000 1.087 601 V CA 0.059 62.374 62.300 0.025 0.000 0.982 601 V CB 1.220 33.066 31.823 0.039 0.000 1.039 601 V HN 0.925 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.804 108.800 0.007 0.000 5.446 602 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 602 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 602 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925