%atoms " -83 -LYS -HB2 " and " -83 -LYS -HZ2 " only 1.40 A apart %atoms " -85 -LYS -HB1 " and " -85 -LYS -HZ2 " only 1.41 A apart NBONDS: found 120284 intra-atom interactions NBONDS: found 2 nonbonded violations ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++ for this class: SCALe= 50.000 AVERage=sum POTEntial=soft-square SQCOnstant= 1.000 SQEXponent= 2 SQOFfsets(+/-)= 0.000 0.000 SOEXponent= 1 RSWItch= 0.500 ASYMptote= 0.100 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.154 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.074 E(NOE)= 0.273 ========== spectrum 1 restraint 857 ========== set-i-atoms 28 ALA HB1 28 ALA HB2 28 ALA HB3 set-j-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 R= 4.106 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.046 E(NOE)= 0.108 ========== spectrum 1 restraint 914 ========== set-i-atoms 37 THR HA set-j-atoms 40 ILE HD11 40 ILE HD12 40 ILE HD13 R= 1.791 NOE= 3.39 (- 1.59/+ 0.51) Delta= 0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 945 ========== set-i-atoms 41 VAL HG11 41 VAL HG12 41 VAL HG13 set-j-atoms 69 ARG HG1 R= 5.979 NOE= 5.17 (- 3.37/+ 0.78) Delta= -0.029 E(NOE)= 0.043 ========== spectrum 1 restraint 1111 ========== set-i-atoms 52 LEU HD21 52 LEU HD22 52 LEU HD23 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 1.790 NOE= 3.67 (- 1.87/+ 0.55) Delta= 0.010 E(NOE)= 0.006 ========== spectrum 1 restraint 1113 ========== set-i-atoms 57 LEU HD21 57 LEU HD22 57 LEU HD23 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 5.699 NOE= 4.95 (- 3.15/+ 0.74) Delta= -0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 1244 ========== set-i-atoms 40 ILE HD11 40 ILE HD12 40 ILE HD13 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 1.794 NOE= 3.44 (- 1.64/+ 0.52) Delta= 0.006 E(NOE)= 0.002 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.531 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.031 E(NOE)= 0.047 ========== spectrum 1 restraint 1637 ========== set-i-atoms 48 PHE HZ set-j-atoms 66 ARG HA R= 1.779 NOE= 3.98 (- 2.18/+ 0.60) Delta= 0.021 E(NOE)= 0.021 ========== spectrum 1 restraint 1638 ========== set-i-atoms 48 PHE HE1 48 PHE HE2 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 1.791 NOE= 3.56 (- 1.76/+ 0.53) Delta= 0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 1647 ========== set-i-atoms 55 TYR HD1 55 TYR HD2 set-j-atoms 56 PRO HD2 R= 4.160 NOE= 3.59 (- 1.79/+ 0.54) Delta= -0.030 E(NOE)= 0.044 ========== spectrum 1 restraint 1813 ========== set-i-atoms 39 LYS HE1 39 LYS HE2 set-j-atoms 43 LEU HD11 43 LEU HD12 43 LEU HD13 R= 4.524 NOE= 3.92 (- 2.12/+ 0.59) Delta= -0.014 E(NOE)= 0.010 NOEPRI: RMS diff. = 0.002, #(violat.> 0.0)= 12 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.002, #(viol.> 0.0)= 12 of 2047 NOEs ======================================== 30 ALA N 30 ALA CA 30 ALA C 31 MET N Dihedral= -49.417 Energy= 0.000 C= 1.000 Equil= -26.300 Delta= 0.817 Range= 22.300 Exponent= 2 (atom-i |atom-j ) dist. equil. delta energy const. (atom-i |atom-j |atom-k ) angle equil. delta energy const. (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 3 CA | 3 C | 4 N | 4 CA ) 174.946 180.000 5.054 0.778 100.000 0 ( 4 CA | 4 C | 5 N | 5 CA ) -174.999 180.000 -5.001 0.762 100.000 0 ( 6 CA | 6 C | 7 N | 7 CA ) 170.510 180.000 9.490 2.743 100.000 0 ( 42 CA | 42 C | 43 N | 43 CA ) 171.958 180.000 8.042 1.970 100.000 0 ( 43 CA | 43 C | 44 N | 44 CA ) 173.678 180.000 6.322 1.217 100.000 0 ( 47 CA | 47 C | 48 N | 48 CA ) 173.949 180.000 6.051 1.115 100.000 0 ( 49 CA | 49 C | 50 N | 50 CA ) 174.074 180.000 5.926 1.070 100.000 0 ( 55 CA | 55 C | 56 N | 56 CA ) -174.406 180.000 -5.594 0.953 100.000 0 ( 59 CA | 59 C | 60 N | 60 CA ) 174.000 180.000 6.000 1.097 100.000 0 ( 68 CA | 68 C | 69 N | 69 CA ) 174.439 180.000 5.561 0.942 100.000 0 ( 73 CA | 73 C | 74 N | 74 CA ) 173.021 180.000 6.979 1.484 100.000 0 ( 82 CA | 82 C | 83 N | 83 CA ) -168.808 180.000 -11.192 3.816 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) -145.075 -180.000 -34.925 0.068 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) -145.075 -90.000 55.075 0.403 0.300 2 ( 1 C | 2 N | 2 CA | 2 C ) -145.075 -180.000 -34.925 0.282 0.225 3 ( 1 C | 2 N | 2 CA | 2 C ) -145.075 -180.000 -34.925 0.150 0.075 5 ( 1 CB | 1 CA | 1 C | 2 N ) -68.230 -180.000 -111.770 0.685 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -68.230 -36.000 32.230 0.195 0.100 5 ( 1 CB | 1 CA | 1 C | 1 O ) 112.063 180.000 67.937 0.234 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 112.063 60.000 -52.063 0.431 0.225 3 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 117.270 180.000 62.730 0.325 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -75.031 -180.000 -104.969 0.472 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -75.031 -45.000 30.031 0.225 0.150 4 ( 2 C | 3 N | 3 CA | 3 C ) -75.031 -108.000 -32.969 0.147 0.075 5 ( 2 C | 3 N | 3 CA | 3 CB ) 161.698 90.000 -71.698 0.721 0.400 2 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) 115.198 180.000 64.802 0.345 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) -77.442 -180.000 -102.558 0.457 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -77.442 -45.000 32.442 0.246 0.150 4 ( 3 C | 4 N | 4 CA | 4 C ) -77.442 -108.000 -30.558 0.142 0.075 5 ( 3 C | 4 N | 4 CA | 4 CB ) 159.584 90.000 -69.584 0.703 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -135.021 -180.000 -44.979 0.146 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -135.021 -90.000 45.021 0.400 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -135.021 -180.000 -44.979 0.512 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) 45.381 180.000 134.619 0.638 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) 45.381 90.000 44.619 0.296 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) -110.675 -180.000 -69.325 0.388 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -120.157 -180.000 -59.843 0.187 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -120.157 -90.000 30.157 0.151 0.300 2 ( 4 C | 5 N | 5 CA | 5 C ) -120.157 -180.000 -59.843 0.450 0.225 3 ( 4 C | 5 N | 5 CA | 5 CB ) 117.896 180.000 62.104 0.266 0.500 1 ( 4 C | 5 N | 5 CA | 5 CB ) 117.896 60.000 -57.896 0.598 0.300 3 ( 4 CB | 4 CA | 4 C | 5 N ) -131.909 -180.000 -48.091 0.166 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) -131.909 -90.000 41.909 0.357 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) -131.909 -180.000 -48.091 0.544 0.300 3 ( 4 CB | 4 CA | 4 C | 4 O ) 48.350 180.000 131.650 0.624 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) 48.350 90.000 41.650 0.265 0.300 2 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -81.700 -180.000 -98.300 0.687 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -136.930 -180.000 -43.070 0.101 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) -136.930 -90.000 46.930 0.320 0.300 2 ( 5 C | 6 N | 6 CA | 6 C ) -136.930 -180.000 -43.070 0.367 0.225 3 ( 5 C | 6 N | 6 CA | 6 CB ) 100.980 180.000 79.020 0.405 0.500 1 ( 5 C | 6 N | 6 CA | 6 CB ) 100.980 60.000 -40.980 0.463 0.300 3 ( 5 C | 6 N | 6 CA | 6 CB ) 100.980 135.000 34.020 0.344 0.200 4 ( 5 CB | 5 CA | 5 C | 6 N ) -130.449 -180.000 -49.551 0.176 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -130.449 -90.000 40.449 0.337 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) -130.449 -180.000 -49.551 0.556 0.300 3 ( 5 CB | 5 CA | 5 C | 5 O ) 49.819 180.000 130.181 0.617 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 49.819 90.000 40.181 0.250 0.300 2 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) -120.189 -180.000 -59.811 0.298 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -161.652 -90.000 71.652 0.541 0.300 2 ( 6 C | 7 N | 7 CA | 7 CB ) 74.392 180.000 105.608 0.635 0.500 1 ( 6 C | 7 N | 7 CA | 7 CB ) 74.392 108.000 33.608 0.198 0.100 5 ( 6 CB | 6 CA | 6 C | 7 N ) -84.270 -180.000 -95.730 0.550 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -84.270 -45.000 39.270 0.384 0.200 4 ( 6 CB | 6 CA | 6 C | 6 O ) 96.652 180.000 83.348 0.332 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) 96.652 60.000 -36.652 0.302 0.225 3 ( 6 CB | 6 CA | 6 C | 6 O ) 96.652 135.000 38.348 0.284 0.150 4 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) -84.583 -180.000 -95.417 0.657 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -129.314 -180.000 -50.686 0.137 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -129.314 -90.000 39.314 0.241 0.300 2 ( 7 C | 8 N | 8 CA | 8 C ) -129.314 -180.000 -50.686 0.424 0.225 3 ( 7 C | 8 N | 8 CA | 8 CB ) 107.914 180.000 72.086 0.346 0.500 1 ( 7 C | 8 N | 8 CA | 8 CB ) 107.914 60.000 -47.914 0.542 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -98.817 -180.000 -81.183 0.423 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) -98.817 -60.000 38.817 0.434 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -98.817 -135.000 -36.183 0.363 0.200 4 ( 7 CB | 7 CA | 7 C | 7 O ) 82.393 180.000 97.607 0.425 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) 82.393 45.000 -37.393 0.279 0.150 4 ( 8 C | 9 N | 9 CA | 9 C ) -83.338 -180.000 -96.662 0.419 0.375 1 ( 8 C | 9 N | 9 CA | 9 C ) -83.338 -45.000 38.338 0.284 0.150 4 ( 8 C | 9 N | 9 CA | 9 CB ) 154.931 90.000 -64.931 0.656 0.400 2 ( 8 CB | 8 CA | 8 C | 9 N ) -133.893 -180.000 -46.107 0.153 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -133.893 -90.000 43.893 0.385 0.400 2 ( 8 CB | 8 CA | 8 C | 9 N ) -133.893 -180.000 -46.107 0.524 0.300 3 ( 8 CB | 8 CA | 8 C | 8 O ) 46.518 180.000 133.482 0.633 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 46.518 90.000 43.482 0.284 0.300 2 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) -87.474 -180.000 -92.526 0.626 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -124.270 -180.000 -55.730 0.164 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -124.270 -90.000 34.270 0.190 0.300 2 ( 9 C | 10 N | 10 CA | 10 C ) -124.270 -180.000 -55.730 0.444 0.225 3 ( 9 C | 10 N | 10 CA | 10 CB ) 112.514 180.000 67.486 0.309 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 112.514 60.000 -52.514 0.577 0.300 3 ( 9 CB | 9 CA | 9 C | 10 N ) -78.528 -180.000 -101.472 0.599 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -78.528 -45.000 33.528 0.339 0.200 4 ( 9 CB | 9 CA | 9 C | 9 O ) 101.777 180.000 78.223 0.298 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 101.777 60.000 -41.777 0.355 0.225 3 ( 9 CB | 9 CA | 9 C | 9 O ) 101.777 135.000 33.223 0.252 0.150 4 ( 10 C | 11 N | 11 CA | 11 C ) -134.379 -180.000 -45.621 0.113 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -134.379 -90.000 44.379 0.293 0.300 2 ( 10 C | 11 N | 11 CA | 11 C ) -134.379 -180.000 -45.621 0.389 0.225 3 ( 10 C | 11 N | 11 CA | 11 CB ) 103.426 180.000 76.574 0.384 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 103.426 60.000 -43.426 0.494 0.300 3 ( 10 C | 11 N | 11 CA | 11 CB ) 103.426 135.000 31.574 0.318 0.200 4 ( 10 CB | 10 CA | 10 C | 11 N ) -134.000 -180.000 -46.000 0.153 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) -134.000 -90.000 44.000 0.386 0.400 2 ( 10 CB | 10 CA | 10 C | 11 N ) -134.000 -180.000 -46.000 0.523 0.300 3 ( 10 CB | 10 CA | 10 C | 10 O ) 46.075 180.000 133.925 0.635 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) 46.075 90.000 43.925 0.289 0.300 2 ( 11 C | 12 N | 12 CA | 12 C ) 69.224 180.000 110.776 0.508 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) 69.224 36.000 -33.224 0.148 0.075 5 ( 11 C | 12 N | 12 CA | 12 CB ) -55.649 -180.000 -124.351 0.782 0.500 1 ( 11 C | 12 N | 12 CA | 12 CB ) -55.649 -90.000 -34.351 0.255 0.400 2 ( 11 CB | 11 CA | 11 C | 12 N ) -79.929 -180.000 -100.071 0.587 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -79.929 -45.000 34.929 0.353 0.200 4 ( 11 CB | 11 CA | 11 C | 11 O ) 100.439 180.000 79.561 0.307 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 100.439 60.000 -40.439 0.342 0.225 3 ( 11 CB | 11 CA | 11 C | 11 O ) 100.439 135.000 34.561 0.262 0.150 4 ( 12 C | 13 N | 13 CA | 13 C ) -105.145 -180.000 -74.855 0.277 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -105.145 -60.000 45.145 0.385 0.225 3 ( 12 C | 13 N | 13 CA | 13 CB ) 132.988 180.000 47.012 0.159 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) 132.988 90.000 -42.988 0.372 0.400 2 ( 12 C | 13 N | 13 CA | 13 CB ) 132.988 180.000 47.012 0.533 0.300 3 ( 12 CB | 12 CA | 12 C | 13 N ) -151.434 -90.000 61.434 0.617 0.400 2 ( 12 CB | 12 CA | 12 C | 12 O ) 28.782 180.000 151.218 0.704 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) 28.782 90.000 61.218 0.461 0.300 2 ( 12 CB | 12 CA | 12 C | 12 O ) 28.782 60.000 31.218 0.239 0.225 3 ( 13 CB | 13 CA | 13 C | 14 N ) -96.536 -180.000 -83.464 0.443 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -96.536 -60.000 36.536 0.401 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -96.536 -135.000 -38.464 0.380 0.200 4 ( 13 CB | 13 CA | 13 C | 13 O ) 82.904 180.000 97.096 0.421 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 82.904 45.000 -37.904 0.282 0.150 4 ( 14 C | 15 N | 15 CA | 15 C ) -99.612 -180.000 -80.388 0.312 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -99.612 -60.000 39.612 0.334 0.225 3 ( 14 C | 15 N | 15 CA | 15 C ) -99.612 -135.000 -35.388 0.267 0.150 4 ( 14 C | 15 N | 15 CA | 15 CB ) 138.268 180.000 41.732 0.127 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 138.268 90.000 -48.268 0.446 0.400 2 ( 14 C | 15 N | 15 CA | 15 CB ) 138.268 180.000 41.732 0.473 0.300 3 ( 14 C | 15 N | 15 CA | 15 CB ) 138.268 108.000 -30.268 0.188 0.100 5 ( 14 CB | 14 CA | 14 C | 15 N ) -139.892 -180.000 -40.108 0.118 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -139.892 -90.000 49.892 0.468 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -139.892 -180.000 -40.108 0.451 0.300 3 ( 14 CB | 14 CA | 14 C | 15 N ) -139.892 -108.000 31.892 0.194 0.100 5 ( 14 CB | 14 CA | 14 C | 14 O ) 40.734 180.000 139.266 0.659 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 40.734 90.000 49.266 0.345 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -73.114 -180.000 -106.886 0.484 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -73.114 -108.000 -34.886 0.150 0.075 5 ( 15 C | 16 N | 16 CA | 16 CB ) 163.819 90.000 -73.819 0.738 0.400 2 ( 15 CB | 15 CA | 15 C | 16 N ) -127.985 -180.000 -52.015 0.192 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) -127.985 -90.000 37.985 0.303 0.400 2 ( 15 CB | 15 CA | 15 C | 16 N ) -127.985 -180.000 -52.015 0.574 0.300 3 ( 15 CB | 15 CA | 15 C | 15 O ) 52.120 180.000 127.880 0.605 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) 52.120 90.000 37.880 0.226 0.300 2 ( 16 C | 17 N | 17 CA | 17 C ) -100.092 -180.000 -79.908 0.309 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -100.092 -60.000 40.092 0.338 0.225 3 ( 16 C | 17 N | 17 CA | 17 C ) -100.092 -135.000 -34.908 0.264 0.150 4 ( 16 C | 17 N | 17 CA | 17 CB ) 137.727 180.000 42.273 0.130 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 137.727 90.000 -47.727 0.438 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 137.727 180.000 42.273 0.480 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -115.019 -180.000 -64.981 0.289 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -115.019 -60.000 55.019 0.590 0.300 3 ( 16 CB | 16 CA | 16 C | 16 O ) 64.890 180.000 115.110 0.534 0.375 1 ( 17 C | 18 N | 18 CA | 18 C ) -60.568 -180.000 -119.432 0.559 0.375 1 ( 17 CB | 17 CA | 17 C | 18 N ) -77.588 -180.000 -102.412 0.607 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -77.588 -45.000 32.588 0.330 0.200 4 ( 17 CB | 17 CA | 17 C | 18 N ) -77.588 -108.000 -30.412 0.188 0.100 5 ( 17 CB | 17 CA | 17 C | 17 O ) 102.708 180.000 77.292 0.293 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 102.708 60.000 -42.708 0.364 0.225 3 ( 17 CB | 17 CA | 17 C | 17 O ) 102.708 135.000 32.292 0.245 0.150 4 ( 18 C | 19 N | 19 CA | 19 C ) -83.023 -180.000 -96.977 0.421 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -83.023 -45.000 38.023 0.283 0.150 4 ( 18 C | 19 N | 19 CA | 19 CB ) 155.096 90.000 -65.096 0.658 0.400 2 ( 19 C | 20 N | 20 CA | 20 C ) -139.361 -180.000 -40.639 0.090 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -139.361 -90.000 49.361 0.345 0.300 2 ( 19 C | 20 N | 20 CA | 20 C ) -139.361 -180.000 -40.639 0.344 0.225 3 ( 19 C | 20 N | 20 CA | 20 C ) -139.361 -108.000 31.361 0.144 0.075 5 ( 19 C | 20 N | 20 CA | 20 CB ) 97.856 180.000 82.144 0.432 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 97.856 60.000 -37.856 0.420 0.300 3 ( 19 C | 20 N | 20 CA | 20 CB ) 97.856 135.000 37.144 0.371 0.200 4 ( 19 CB | 19 CA | 19 C | 20 N ) -121.869 -180.000 -58.131 0.236 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -121.869 -90.000 31.869 0.223 0.400 2 ( 19 CB | 19 CA | 19 C | 20 N ) -121.869 -180.000 -58.131 0.599 0.300 3 ( 19 CB | 19 CA | 19 C | 19 O ) 58.167 180.000 121.833 0.573 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 58.167 90.000 31.833 0.167 0.300 2 ( 20 C | 21 N | 21 CA | 21 C ) -101.460 -180.000 -78.540 0.300 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) -101.460 -60.000 41.460 0.352 0.225 3 ( 20 C | 21 N | 21 CA | 21 C ) -101.460 -135.000 -33.540 0.254 0.150 4 ( 20 CB | 20 CA | 20 C | 21 N ) -128.958 -180.000 -51.042 0.186 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) -128.958 -90.000 38.958 0.316 0.400 2 ( 20 CB | 20 CA | 20 C | 21 N ) -128.958 -180.000 -51.042 0.568 0.300 3 ( 20 CB | 20 CA | 20 C | 20 O ) 51.393 180.000 128.607 0.609 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 51.393 90.000 38.607 0.234 0.300 2 ( 21 C | 22 N | 22 CA | 22 C ) -82.986 -180.000 -97.014 0.421 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -82.986 -45.000 37.986 0.282 0.150 4 ( 21 C | 22 N | 22 CA | 22 CB ) 155.019 90.000 -65.019 0.657 0.400 2 ( 23 CZ | 23 NE | 23 CD | 23 CG ) 140.623 180.000 39.377 0.454 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -46.788 -180.000 -133.212 0.632 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -46.788 -90.000 -43.212 0.281 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -169.187 -90.000 79.187 0.772 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -169.187 -135.000 34.187 0.346 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -91.035 -180.000 -88.965 0.491 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -91.035 -60.000 31.035 0.316 0.300 3 ( 22 CB | 22 CA | 22 C | 23 N ) -91.035 -135.000 -43.965 0.399 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 88.520 180.000 91.480 0.385 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 88.520 45.000 -43.520 0.299 0.150 4 ( 23 C | 24 N | 24 CA | 24 C ) -59.966 -180.000 -120.034 0.563 0.375 1 ( 23 C | 24 N | 24 CA | 24 C ) -59.966 -90.000 -30.034 0.150 0.300 2 ( 23 C | 24 N | 24 CA | 24 CB ) 177.856 90.000 -87.856 0.799 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 177.856 135.000 -42.856 0.398 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 69.591 180.000 110.409 0.674 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 69.591 36.000 -33.591 0.198 0.100 5 ( 23 CB | 23 CA | 23 C | 23 O ) -110.514 -180.000 -69.486 0.244 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -110.514 -60.000 50.514 0.423 0.225 3 ( 25 OE1 | 25 CD | 25 CG | 25 CB ) 163.984 90.000 -73.984 1.848 1.000 2 ( 24 C | 25 N | 25 CA | 25 C ) -57.921 -180.000 -122.079 0.574 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -57.921 -90.000 -32.079 0.169 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) 179.095 90.000 -89.095 0.800 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) 179.095 135.000 -44.095 0.400 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 78.841 180.000 101.159 0.597 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 78.841 45.000 -33.841 0.342 0.200 4 ( 24 CB | 24 CA | 24 C | 24 O ) -101.712 -180.000 -78.288 0.299 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -101.712 -60.000 41.712 0.354 0.225 3 ( 24 CB | 24 CA | 24 C | 24 O ) -101.712 -135.000 -33.288 0.253 0.150 4 ( 26 CZ | 26 NE | 26 CD | 26 CG ) -137.323 -180.000 -42.677 0.530 2.000 1 ( 25 C | 26 N | 26 CA | 26 C ) -59.878 -180.000 -120.122 0.563 0.375 1 ( 25 C | 26 N | 26 CA | 26 C ) -59.878 -90.000 -30.122 0.151 0.300 2 ( 25 C | 26 N | 26 CA | 26 CB ) 177.471 90.000 -87.471 0.798 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 177.471 135.000 -42.471 0.397 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 86.454 180.000 93.546 0.531 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 86.454 45.000 -41.454 0.394 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -94.423 -180.000 -85.577 0.346 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -94.423 -60.000 34.423 0.277 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -94.423 -135.000 -40.577 0.293 0.150 4 ( 27 CZ | 27 NE | 27 CD | 27 CG ) -115.497 -180.000 -64.503 1.139 2.000 1 ( 26 C | 27 N | 27 CA | 27 C ) -78.784 -180.000 -101.216 0.448 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -78.784 -45.000 33.784 0.256 0.150 4 ( 26 C | 27 N | 27 CA | 27 CB ) 160.083 90.000 -70.083 0.707 0.400 2 ( 26 CB | 26 CA | 26 C | 27 N ) 93.828 180.000 86.172 0.467 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 93.828 60.000 -33.828 0.360 0.300 3 ( 26 CB | 26 CA | 26 C | 27 N ) 93.828 135.000 41.172 0.393 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -86.158 -180.000 -93.842 0.400 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -86.158 -45.000 41.158 0.295 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -56.250 -180.000 -123.750 0.583 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -56.250 -90.000 -33.750 0.185 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) -179.001 -90.000 89.001 0.800 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) -179.001 -135.000 44.001 0.400 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 79.099 180.000 100.901 0.595 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 79.099 45.000 -34.099 0.345 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -101.299 -180.000 -78.701 0.302 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -101.299 -60.000 41.299 0.350 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -101.299 -135.000 -33.701 0.256 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -64.843 -180.000 -115.157 0.534 0.375 1 ( 28 C | 29 N | 29 CA | 29 CB ) 170.479 90.000 -80.479 0.778 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 170.479 135.000 -35.479 0.357 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 67.354 180.000 112.646 0.693 0.500 1 ( 28 CB | 28 CA | 28 C | 29 N ) 67.354 36.000 -31.354 0.192 0.100 5 ( 28 CB | 28 CA | 28 C | 28 O ) -112.878 -180.000 -67.122 0.229 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -112.878 -60.000 52.878 0.435 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -71.462 -180.000 -108.538 0.494 0.375 1 ( 29 C | 30 N | 30 CA | 30 C ) -71.462 -36.000 35.462 0.150 0.075 5 ( 29 C | 30 N | 30 CA | 30 CB ) 165.675 90.000 -75.675 0.751 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 165.675 135.000 -30.675 0.308 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 100.394 180.000 79.606 0.410 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 100.394 60.000 -40.394 0.455 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 100.394 135.000 34.606 0.350 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -80.610 -180.000 -99.390 0.436 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -80.610 -45.000 35.610 0.269 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -85.676 -180.000 -94.324 0.403 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -85.676 -45.000 40.676 0.293 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 151.860 90.000 -61.860 0.622 0.400 2 ( 30 CB | 30 CA | 30 C | 31 N ) 73.210 180.000 106.790 0.644 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 73.210 108.000 34.790 0.199 0.100 5 ( 30 CB | 30 CA | 30 C | 30 O ) -107.760 -180.000 -72.240 0.261 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -107.760 -60.000 47.760 0.405 0.225 3 ( 31 C | 32 N | 32 CA | 32 C ) 63.843 180.000 116.157 0.540 0.375 1 ( 31 C | 32 N | 32 CA | 32 CB ) -60.283 -180.000 -119.717 0.748 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 129.290 180.000 50.710 0.183 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 129.290 90.000 -39.290 0.321 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 129.290 180.000 50.710 0.565 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -51.029 -180.000 -128.971 0.611 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -51.029 -90.000 -38.971 0.237 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -108.379 -180.000 -71.621 0.257 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -108.379 -60.000 48.379 0.410 0.225 3 ( 32 C | 33 N | 33 CA | 33 CB ) 129.657 180.000 50.343 0.181 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 129.657 90.000 -39.657 0.326 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 129.657 180.000 50.343 0.562 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -163.168 -90.000 73.168 0.733 0.400 2 ( 32 CB | 32 CA | 32 C | 32 O ) 18.347 180.000 161.653 0.731 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 18.347 90.000 71.653 0.541 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) 18.347 60.000 41.653 0.354 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -120.849 -180.000 -59.151 0.244 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -120.849 -90.000 30.849 0.210 0.400 2 ( 33 CB | 33 CA | 33 C | 34 N ) -120.849 -180.000 -59.151 0.600 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 59.812 180.000 120.188 0.564 0.375 1 ( 33 CB | 33 CA | 33 C | 33 O ) 59.812 90.000 30.188 0.152 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -102.878 -180.000 -77.122 0.291 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -102.878 -60.000 42.878 0.365 0.225 3 ( 34 C | 35 N | 35 CA | 35 C ) -102.878 -135.000 -32.122 0.243 0.150 4 ( 34 C | 35 N | 35 CA | 35 CB ) 132.836 180.000 47.164 0.160 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 132.836 90.000 -42.836 0.370 0.400 2 ( 34 C | 35 N | 35 CA | 35 CB ) 132.836 180.000 47.164 0.535 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 91.056 180.000 88.944 0.491 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 91.056 60.000 -31.056 0.317 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 91.056 135.000 43.944 0.399 0.200 4 ( 34 CB | 34 CA | 34 C | 34 O ) -88.606 -180.000 -91.394 0.384 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -88.606 -45.000 43.606 0.299 0.150 4 ( 35 CB | 35 CA | 35 C | 36 N ) -94.946 -180.000 -85.054 0.457 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -94.946 -60.000 34.946 0.377 0.300 3 ( 35 CB | 35 CA | 35 C | 36 N ) -94.946 -135.000 -40.054 0.388 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 84.831 180.000 95.169 0.409 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 84.831 45.000 -39.831 0.290 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -58.258 -180.000 -121.742 0.572 0.375 1 ( 36 C | 37 N | 37 CA | 37 C ) -58.258 -90.000 -31.742 0.166 0.300 2 ( 36 C | 37 N | 37 CA | 37 CB ) 179.605 90.000 -89.605 0.800 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 179.605 135.000 -44.605 0.400 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -100.261 -180.000 -79.739 0.411 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -100.261 -60.000 40.261 0.454 0.300 3 ( 36 CB | 36 CA | 36 C | 37 N ) -100.261 -135.000 -34.739 0.351 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 77.999 180.000 102.001 0.453 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 77.999 45.000 -32.999 0.250 0.150 4 ( 36 CB | 36 CA | 36 C | 36 O ) 77.999 108.000 30.001 0.140 0.075 5 ( 37 C | 38 N | 38 CA | 38 C ) -52.529 -180.000 -127.471 0.603 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -52.529 -90.000 -37.471 0.222 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -174.724 -90.000 84.724 0.793 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -174.724 -135.000 39.724 0.387 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 83.690 180.000 96.310 0.555 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 83.690 45.000 -38.690 0.381 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -96.713 -180.000 -83.287 0.331 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -96.713 -60.000 36.713 0.302 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -96.713 -135.000 -38.287 0.284 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -60.390 -180.000 -119.610 0.560 0.375 1 ( 38 C | 39 N | 39 CA | 39 CB ) 176.858 90.000 -86.858 0.798 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 176.858 135.000 -41.858 0.395 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 74.486 180.000 105.514 0.634 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 74.486 108.000 33.514 0.198 0.100 5 ( 38 CB | 38 CA | 38 C | 38 O ) -106.091 -180.000 -73.909 0.271 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -106.091 -60.000 46.091 0.393 0.225 3 ( 39 C | 40 N | 40 CA | 40 C ) -52.179 -180.000 -127.821 0.605 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -52.179 -90.000 -37.821 0.226 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.369 -90.000 83.369 0.789 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.369 -135.000 38.369 0.379 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 79.276 180.000 100.724 0.593 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 79.276 45.000 -34.276 0.347 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -102.015 -180.000 -77.985 0.297 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -102.015 -60.000 42.015 0.357 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -102.015 -135.000 -32.985 0.250 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -80.823 -180.000 -99.177 0.435 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -80.823 -45.000 35.823 0.270 0.150 4 ( 40 C | 41 N | 41 CA | 41 CB ) 157.030 90.000 -67.030 0.678 0.400 2 ( 40 CB | 40 CA | 40 C | 41 N ) 85.113 180.000 94.887 0.543 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 85.113 45.000 -40.113 0.388 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -94.657 -180.000 -85.343 0.345 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -94.657 -60.000 34.657 0.279 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -94.657 -135.000 -40.343 0.292 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -72.392 -180.000 -107.608 0.488 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -72.392 -108.000 -35.608 0.150 0.075 5 ( 41 C | 42 N | 42 CA | 42 CB ) 163.440 90.000 -73.440 0.735 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 77.805 180.000 102.195 0.606 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 77.805 45.000 -32.805 0.332 0.200 4 ( 41 CB | 41 CA | 41 C | 42 N ) 77.805 108.000 30.195 0.187 0.100 5 ( 41 CB | 41 CA | 41 C | 41 O ) -102.410 -180.000 -77.590 0.294 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -102.410 -60.000 42.410 0.361 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -102.410 -135.000 -32.590 0.247 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -83.877 -180.000 -96.123 0.415 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -83.877 -45.000 38.877 0.287 0.150 4 ( 42 C | 43 N | 43 CA | 43 CB ) 153.984 90.000 -63.984 0.646 0.400 2 ( 42 CB | 42 CA | 42 C | 43 N ) 117.552 180.000 62.448 0.269 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 117.552 60.000 -57.552 0.598 0.300 3 ( 42 CB | 42 CA | 42 C | 42 O ) -61.827 -180.000 -118.173 0.552 0.375 1 ( 43 CB | 43 CA | 43 C | 44 N ) -93.864 -180.000 -86.136 0.466 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -93.864 -60.000 33.864 0.360 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -93.864 -135.000 -41.136 0.393 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 87.308 180.000 92.692 0.393 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 87.308 45.000 -42.308 0.297 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -54.974 -180.000 -125.026 0.590 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -54.974 -90.000 -35.026 0.198 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -178.597 -90.000 88.597 0.800 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -178.597 -135.000 43.597 0.399 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -77.325 -180.000 -102.675 0.610 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -77.325 -45.000 32.325 0.327 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -77.325 -108.000 -30.675 0.189 0.100 5 ( 44 CB | 44 CA | 44 C | 44 O ) 101.662 180.000 78.338 0.299 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 101.662 60.000 -41.662 0.354 0.225 3 ( 44 CB | 44 CA | 44 C | 44 O ) 101.662 135.000 33.338 0.253 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -65.808 -180.000 -114.192 0.529 0.375 1 ( 45 C | 46 N | 46 CA | 46 CB ) 171.501 90.000 -81.501 0.783 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 171.501 135.000 -36.501 0.366 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 82.737 180.000 97.263 0.563 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 82.737 45.000 -37.737 0.375 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -97.797 -180.000 -82.203 0.324 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -97.797 -60.000 37.797 0.314 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -97.797 -135.000 -37.203 0.278 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -54.513 -180.000 -125.487 0.593 0.375 1 ( 46 C | 47 N | 47 CA | 47 C ) -54.513 -90.000 -35.487 0.202 0.300 2 ( 46 C | 47 N | 47 CA | 47 CB ) -177.783 -90.000 87.783 0.799 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) -177.783 -135.000 42.783 0.398 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 61.449 180.000 118.551 0.739 0.500 1 ( 46 CB | 46 CA | 46 C | 46 O ) -119.017 -180.000 -60.983 0.193 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -119.017 -60.000 59.017 0.450 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -60.264 -180.000 -119.736 0.561 0.375 1 ( 47 C | 48 N | 48 CA | 48 CB ) 177.245 90.000 -87.245 0.798 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 177.245 135.000 -42.245 0.396 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 95.585 180.000 84.415 0.451 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 95.585 60.000 -35.585 0.386 0.300 3 ( 47 CB | 47 CA | 47 C | 48 N ) 95.585 135.000 39.415 0.385 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -83.837 -180.000 -96.163 0.415 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -83.837 -45.000 38.837 0.286 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -63.622 -180.000 -116.378 0.542 0.375 1 ( 48 C | 49 N | 49 CA | 49 CB ) 173.750 90.000 -83.750 0.791 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 173.750 135.000 -38.750 0.381 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 68.935 180.000 111.065 0.680 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 68.935 36.000 -32.935 0.196 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -111.719 -180.000 -68.281 0.236 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -111.719 -60.000 51.719 0.429 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -62.728 -180.000 -117.272 0.547 0.375 1 ( 49 C | 50 N | 50 CA | 50 CB ) 175.181 90.000 -85.181 0.794 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) 175.181 135.000 -40.181 0.389 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 91.865 180.000 88.135 0.484 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 91.865 60.000 -31.865 0.329 0.300 3 ( 49 CB | 49 CA | 49 C | 50 N ) 91.865 135.000 43.135 0.398 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -87.653 -180.000 -92.347 0.390 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -87.653 -45.000 42.653 0.298 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -54.401 -180.000 -125.599 0.593 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -54.401 -90.000 -35.599 0.203 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -176.533 -90.000 86.533 0.797 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -176.533 -135.000 41.533 0.394 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 72.765 180.000 107.235 0.648 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 72.765 108.000 35.235 0.200 0.100 5 ( 50 CB | 50 CA | 50 C | 50 O ) -107.770 -180.000 -72.230 0.261 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -107.770 -60.000 47.770 0.405 0.225 3 ( 51 C | 52 N | 52 CA | 52 C ) -63.284 -180.000 -116.716 0.544 0.375 1 ( 51 C | 52 N | 52 CA | 52 CB ) 174.434 90.000 -84.434 0.792 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 174.434 135.000 -39.434 0.385 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 73.974 180.000 106.026 0.638 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 73.974 108.000 34.026 0.199 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -107.159 -180.000 -72.841 0.264 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -107.159 -60.000 47.159 0.401 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -77.071 -180.000 -102.929 0.459 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -77.071 -45.000 32.071 0.243 0.150 4 ( 52 C | 53 N | 53 CA | 53 C ) -77.071 -108.000 -30.929 0.143 0.075 5 ( 52 C | 53 N | 53 CA | 53 CB ) 160.076 90.000 -70.076 0.707 0.400 2 ( 52 CB | 52 CA | 52 C | 53 N ) 88.532 180.000 91.468 0.513 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 88.532 45.000 -43.532 0.399 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -90.638 -180.000 -89.362 0.371 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -90.638 -60.000 30.638 0.233 0.225 3 ( 52 CB | 52 CA | 52 C | 52 O ) -90.638 -135.000 -44.362 0.300 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -78.909 -180.000 -101.091 0.447 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -78.909 -45.000 33.909 0.257 0.150 4 ( 53 C | 54 N | 54 CA | 54 CB ) 158.040 90.000 -68.040 0.688 0.400 2 ( 53 CB | 53 CA | 53 C | 54 N ) 88.918 180.000 91.082 0.509 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 88.918 45.000 -43.918 0.399 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -90.866 -180.000 -89.134 0.369 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -90.866 -60.000 30.866 0.235 0.225 3 ( 53 CB | 53 CA | 53 C | 53 O ) -90.866 -135.000 -44.134 0.300 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -106.005 -180.000 -73.995 0.272 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -106.005 -60.000 46.005 0.392 0.225 3 ( 54 C | 55 N | 55 CA | 55 CB ) 131.461 180.000 48.539 0.169 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 131.461 90.000 -41.461 0.351 0.400 2 ( 54 C | 55 N | 55 CA | 55 CB ) 131.461 180.000 48.539 0.548 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 90.731 180.000 89.269 0.494 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 90.731 60.000 -30.731 0.311 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 90.731 135.000 44.269 0.400 0.200 4 ( 54 CB | 54 CA | 54 C | 54 O ) -89.373 -180.000 -90.627 0.379 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -89.373 -45.000 44.373 0.300 0.150 4 ( 55 CB | 55 CA | 55 C | 56 N ) -136.437 -180.000 -43.563 0.138 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -136.437 -90.000 46.437 0.420 0.400 2 ( 55 CB | 55 CA | 55 C | 56 N ) -136.437 -180.000 -43.563 0.496 0.300 3 ( 55 CB | 55 CA | 55 C | 55 O ) 43.139 180.000 136.861 0.649 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 43.139 90.000 46.861 0.319 0.300 2 ( 56 C | 57 N | 57 CA | 57 C ) -91.562 -180.000 -88.438 0.365 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -91.562 -60.000 31.562 0.243 0.225 3 ( 56 C | 57 N | 57 CA | 57 C ) -91.562 -135.000 -43.438 0.299 0.150 4 ( 56 C | 57 N | 57 CA | 57 CB ) 146.897 180.000 33.103 0.081 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 146.897 90.000 -56.897 0.561 0.400 2 ( 56 C | 57 N | 57 CA | 57 CB ) 146.897 180.000 33.103 0.349 0.300 3 ( 56 C | 57 N | 57 CA | 57 CB ) 146.897 180.000 33.103 0.197 0.100 5 ( 56 CB | 56 CA | 56 C | 57 N ) -162.457 -90.000 72.457 0.727 0.400 2 ( 56 CB | 56 CA | 56 C | 56 O ) 18.917 180.000 161.083 0.730 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 18.917 90.000 71.083 0.537 0.300 2 ( 56 CB | 56 CA | 56 C | 56 O ) 18.917 60.000 41.083 0.348 0.225 3 ( 57 C | 58 N | 58 CA | 58 C ) -71.925 -180.000 -108.075 0.491 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -71.925 -36.000 35.925 0.150 0.075 5 ( 57 C | 58 N | 58 CA | 58 CB ) 167.168 90.000 -77.168 0.761 0.400 2 ( 57 C | 58 N | 58 CA | 58 CB ) 167.168 135.000 -32.168 0.325 0.200 4 ( 57 CB | 57 CA | 57 C | 58 N ) -75.832 -180.000 -104.168 0.622 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -75.832 -45.000 30.832 0.310 0.200 4 ( 57 CB | 57 CA | 57 C | 58 N ) -75.832 -108.000 -32.168 0.194 0.100 5 ( 57 CB | 57 CA | 57 C | 57 O ) 103.920 180.000 76.080 0.285 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 103.920 60.000 -43.920 0.375 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 103.920 135.000 31.080 0.235 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -51.760 -180.000 -128.240 0.607 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -51.760 -90.000 -38.240 0.230 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -174.688 -90.000 84.688 0.793 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -174.688 -135.000 39.688 0.386 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -88.986 -180.000 -91.014 0.509 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -88.986 -45.000 43.986 0.399 0.200 4 ( 58 CB | 58 CA | 58 C | 58 O ) 90.563 180.000 89.437 0.371 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 90.563 60.000 -30.563 0.232 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 90.563 135.000 44.437 0.300 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -75.450 -180.000 -104.550 0.469 0.375 1 ( 59 C | 60 N | 60 CA | 60 C ) -75.450 -45.000 30.450 0.229 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -75.450 -108.000 -32.550 0.147 0.075 5 ( 59 C | 60 N | 60 CA | 60 CB ) 162.320 90.000 -72.320 0.726 0.400 2 ( 59 CB | 59 CA | 59 C | 60 N ) 100.069 180.000 79.931 0.413 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 100.069 60.000 -40.069 0.451 0.300 3 ( 59 CB | 59 CA | 59 C | 60 N ) 100.069 135.000 34.931 0.353 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -79.805 -180.000 -100.195 0.441 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -79.805 -45.000 34.805 0.264 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -61.900 -180.000 -118.100 0.552 0.375 1 ( 60 C | 61 N | 61 CA | 61 CB ) 175.593 90.000 -85.593 0.795 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 175.593 135.000 -40.593 0.391 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 79.858 180.000 100.142 0.588 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 79.858 45.000 -34.858 0.352 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -100.209 -180.000 -79.791 0.309 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -100.209 -60.000 40.209 0.340 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -100.209 -135.000 -34.791 0.263 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -58.030 -180.000 -121.970 0.574 0.375 1 ( 61 C | 62 N | 62 CA | 62 C ) -58.030 -90.000 -31.970 0.168 0.300 2 ( 61 C | 62 N | 62 CA | 62 CB ) 179.538 90.000 -89.538 0.800 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 179.538 135.000 -44.538 0.400 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 76.909 180.000 103.091 0.613 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 76.909 45.000 -31.909 0.322 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 76.909 108.000 31.091 0.191 0.100 5 ( 61 CB | 61 CA | 61 C | 61 O ) -103.552 -180.000 -76.448 0.287 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -103.552 -60.000 43.552 0.372 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -103.552 -135.000 -31.448 0.238 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -58.806 -180.000 -121.194 0.569 0.375 1 ( 62 C | 63 N | 63 CA | 63 C ) -58.806 -90.000 -31.194 0.161 0.300 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.445 90.000 -88.445 0.799 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.445 135.000 -43.445 0.399 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 91.489 180.000 88.511 0.487 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 91.489 60.000 -31.489 0.323 0.300 3 ( 62 CB | 62 CA | 62 C | 63 N ) 91.489 135.000 43.511 0.399 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -88.019 -180.000 -91.981 0.388 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -88.019 -45.000 43.019 0.299 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -68.364 -180.000 -111.636 0.513 0.375 1 ( 63 C | 64 N | 64 CA | 64 C ) -68.364 -36.000 32.364 0.146 0.075 5 ( 63 C | 64 N | 64 CA | 64 CB ) 169.705 90.000 -79.705 0.774 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 169.705 135.000 -34.705 0.351 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 77.495 180.000 102.505 0.608 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 77.495 45.000 -32.495 0.329 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 77.495 108.000 30.505 0.189 0.100 5 ( 63 CB | 63 CA | 63 C | 63 O ) -102.918 -180.000 -77.082 0.291 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -102.918 -60.000 42.918 0.366 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -102.918 -135.000 -32.082 0.243 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -55.001 -180.000 -124.999 0.590 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -55.001 -90.000 -34.999 0.197 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -177.486 -90.000 87.486 0.798 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -177.486 -135.000 42.486 0.397 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 73.533 180.000 106.467 0.642 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 73.533 108.000 34.467 0.199 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -106.602 -180.000 -73.398 0.268 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -106.602 -60.000 46.602 0.397 0.225 3 ( 66 CZ | 66 NE | 66 CD | 66 CG ) 140.467 180.000 39.533 0.457 2.000 1 ( 65 C | 66 N | 66 CA | 66 C ) -65.803 -180.000 -114.197 0.529 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 171.001 90.000 -81.001 0.780 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 171.001 135.000 -36.001 0.362 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 80.022 180.000 99.978 0.587 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 80.022 45.000 -35.022 0.353 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -101.152 -180.000 -78.848 0.302 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -101.152 -60.000 41.152 0.349 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -101.152 -135.000 -33.848 0.257 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -73.005 -180.000 -106.995 0.485 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -73.005 -108.000 -34.995 0.150 0.075 5 ( 66 C | 67 N | 67 CA | 67 CB ) 164.499 90.000 -74.499 0.743 0.400 2 ( 66 CB | 66 CA | 66 C | 67 N ) 93.665 180.000 86.335 0.468 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 93.665 60.000 -33.665 0.357 0.300 3 ( 66 CB | 66 CA | 66 C | 67 N ) 93.665 135.000 41.335 0.393 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -86.830 -180.000 -93.170 0.396 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -86.830 -45.000 41.830 0.296 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -55.768 -180.000 -124.232 0.586 0.375 1 ( 67 C | 68 N | 68 CA | 68 C ) -55.768 -90.000 -34.232 0.190 0.300 2 ( 67 C | 68 N | 68 CA | 68 CB ) -177.783 -90.000 87.783 0.799 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) -177.783 -135.000 42.783 0.398 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 70.445 180.000 109.555 0.667 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 70.445 36.000 -34.445 0.199 0.100 5 ( 67 CB | 67 CA | 67 C | 67 O ) -109.806 -180.000 -70.194 0.248 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -109.806 -60.000 49.806 0.419 0.225 3 ( 69 CZ | 69 NE | 69 CD | 69 CG ) -120.215 -180.000 -59.785 0.994 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -49.893 -180.000 -130.107 0.617 0.375 1 ( 68 C | 69 N | 69 CA | 69 C ) -49.893 -90.000 -40.107 0.249 0.300 2 ( 68 C | 69 N | 69 CA | 69 CB ) -172.615 -90.000 82.615 0.787 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) -172.615 -135.000 37.615 0.374 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 77.729 180.000 102.271 0.606 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 77.729 45.000 -32.729 0.331 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 77.729 108.000 30.271 0.188 0.100 5 ( 68 CB | 68 CA | 68 C | 68 O ) -102.835 -180.000 -77.165 0.292 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -102.835 -60.000 42.835 0.365 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -102.835 -135.000 -32.165 0.244 0.150 4 ( 70 NE | 70 CD | 70 CG | 70 CB ) -92.078 -60.000 32.078 2.217 2.000 3 ( 69 C | 70 N | 70 CA | 70 C ) -67.884 -180.000 -112.116 0.516 0.375 1 ( 69 C | 70 N | 70 CA | 70 C ) -67.884 -36.000 31.884 0.145 0.075 5 ( 69 C | 70 N | 70 CA | 70 CB ) 169.902 90.000 -79.902 0.775 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 169.902 135.000 -34.902 0.352 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 73.550 180.000 106.450 0.642 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 73.550 108.000 34.450 0.199 0.100 5 ( 69 CB | 69 CA | 69 C | 69 O ) -106.840 -180.000 -73.160 0.266 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -106.840 -60.000 46.840 0.399 0.225 3 ( 71 CZ | 71 NE | 71 CD | 71 CG ) 109.377 180.000 70.623 1.336 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -57.843 -180.000 -122.157 0.575 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -57.843 -90.000 -32.157 0.170 0.300 2 ( 70 C | 71 N | 71 CA | 71 CB ) -179.533 -90.000 89.533 0.800 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) -179.533 -135.000 44.533 0.400 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 81.327 180.000 98.673 0.575 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 81.327 45.000 -36.327 0.364 0.200 4 ( 70 CB | 70 CA | 70 C | 70 O ) -99.834 -180.000 -80.166 0.311 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -99.834 -60.000 39.834 0.336 0.225 3 ( 70 CB | 70 CA | 70 C | 70 O ) -99.834 -135.000 -35.166 0.266 0.150 4 ( 71 C | 72 N | 72 CA | 72 C ) -66.423 -180.000 -113.577 0.525 0.375 1 ( 71 C | 72 N | 72 CA | 72 C ) -66.423 -36.000 30.423 0.141 0.075 5 ( 71 CB | 71 CA | 71 C | 72 N ) 63.689 180.000 116.311 0.722 0.500 1 ( 71 CB | 71 CA | 71 C | 71 O ) -115.995 -180.000 -64.005 0.211 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -115.995 -60.000 55.995 0.445 0.225 3 ( 72 C | 73 N | 73 CA | 73 C ) -64.623 -180.000 -115.377 0.536 0.375 1 ( 72 C | 73 N | 73 CA | 73 CB ) 172.040 90.000 -82.040 0.785 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 172.040 135.000 -37.040 0.370 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -72.228 -180.000 -107.772 0.489 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -72.228 -108.000 -35.772 0.150 0.075 5 ( 73 C | 74 N | 74 CA | 74 CB ) 165.553 90.000 -75.553 0.750 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) 165.553 135.000 -30.553 0.307 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 89.747 180.000 90.253 0.502 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 89.747 45.000 -44.747 0.400 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -90.827 -180.000 -89.173 0.370 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -90.827 -60.000 30.827 0.235 0.225 3 ( 73 CB | 73 CA | 73 C | 73 O ) -90.827 -135.000 -44.173 0.300 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -56.751 -180.000 -123.249 0.581 0.375 1 ( 74 C | 75 N | 75 CA | 75 C ) -56.751 -90.000 -33.249 0.180 0.300 2 ( 74 C | 75 N | 75 CA | 75 CB ) -179.136 -90.000 89.136 0.800 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) -179.136 -135.000 44.136 0.400 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 87.714 180.000 92.286 0.520 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 87.714 45.000 -42.714 0.397 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -92.127 -180.000 -87.873 0.361 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -92.127 -60.000 32.127 0.250 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -92.127 -135.000 -42.873 0.298 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -85.819 -180.000 -94.181 0.402 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -85.819 -45.000 40.819 0.294 0.150 4 ( 75 C | 76 N | 76 CA | 76 CB ) 150.562 90.000 -60.562 0.607 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 80.540 180.000 99.460 0.582 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 80.540 45.000 -35.540 0.358 0.200 4 ( 75 CB | 75 CA | 75 C | 75 O ) -99.371 -180.000 -80.629 0.314 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -99.371 -60.000 39.371 0.331 0.225 3 ( 75 CB | 75 CA | 75 C | 75 O ) -99.371 -135.000 -35.629 0.269 0.150 4 ( 76 C | 77 N | 77 CA | 77 C ) -61.509 -180.000 -118.491 0.554 0.375 1 ( 76 C | 77 N | 77 CA | 77 CB ) 175.504 90.000 -85.504 0.795 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 175.504 135.000 -40.504 0.390 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 85.602 180.000 94.398 0.538 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 85.602 45.000 -40.602 0.391 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -95.500 -180.000 -84.500 0.339 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -95.500 -60.000 35.500 0.289 0.225 3 ( 76 CB | 76 CA | 76 C | 76 O ) -95.500 -135.000 -39.500 0.289 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -58.885 -180.000 -121.115 0.569 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -58.885 -90.000 -31.115 0.160 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) 177.848 90.000 -87.848 0.799 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) 177.848 135.000 -42.848 0.398 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 98.515 180.000 81.485 0.426 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 98.515 60.000 -38.515 0.429 0.300 3 ( 77 CB | 77 CA | 77 C | 78 N ) 98.515 135.000 36.485 0.366 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -81.609 -180.000 -98.391 0.430 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -81.609 -45.000 36.609 0.275 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -82.420 -180.000 -97.580 0.424 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -82.420 -45.000 37.420 0.279 0.150 4 ( 78 C | 79 N | 79 CA | 79 CB ) 155.693 90.000 -65.693 0.664 0.400 2 ( 78 CB | 78 CA | 78 C | 79 N ) 100.345 180.000 79.655 0.410 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 100.345 60.000 -40.345 0.455 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 100.345 135.000 34.655 0.350 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -79.795 -180.000 -100.205 0.441 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -79.795 -45.000 34.795 0.264 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -145.976 -180.000 -34.024 0.064 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -145.976 -90.000 55.976 0.412 0.300 2 ( 79 C | 80 N | 80 CA | 80 C ) -145.976 -180.000 -34.024 0.272 0.225 3 ( 79 C | 80 N | 80 CA | 80 C ) -145.976 -180.000 -34.024 0.149 0.075 5 ( 79 C | 80 N | 80 CA | 80 CB ) 91.354 180.000 88.646 0.488 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 91.354 60.000 -31.354 0.321 0.300 3 ( 79 C | 80 N | 80 CA | 80 CB ) 91.354 135.000 43.646 0.399 0.200 4 ( 79 CB | 79 CA | 79 C | 80 N ) 113.540 180.000 66.460 0.300 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 113.540 60.000 -53.540 0.583 0.300 3 ( 79 CB | 79 CA | 79 C | 79 O ) -66.001 -180.000 -113.999 0.528 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -66.001 -36.000 30.001 0.140 0.075 5 ( 80 C | 81 N | 81 CA | 81 C ) -73.778 -180.000 -106.222 0.480 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -73.778 -108.000 -34.222 0.149 0.075 5 ( 80 C | 81 N | 81 CA | 81 CB ) 163.060 90.000 -73.060 0.732 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 150.232 90.000 -60.232 0.603 0.400 2 ( 80 CB | 80 CA | 80 C | 80 O ) -31.393 -180.000 -148.607 0.695 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -31.393 -90.000 -58.607 0.437 0.300 2 ( 81 C | 82 N | 82 CA | 82 C ) -61.129 -180.000 -118.871 0.556 0.375 1 ( 81 C | 82 N | 82 CA | 82 CB ) 176.281 90.000 -86.281 0.797 0.400 2 ( 81 C | 82 N | 82 CA | 82 CB ) 176.281 135.000 -41.281 0.393 0.200 4 ( 81 CB | 81 CA | 81 C | 82 N ) -106.585 -180.000 -73.415 0.357 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) -106.585 -60.000 46.585 0.529 0.300 3 ( 81 CB | 81 CA | 81 C | 81 O ) 73.072 180.000 106.928 0.484 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) 73.072 108.000 34.928 0.150 0.075 5 ( 82 C | 83 N | 83 CA | 83 C ) -60.109 -180.000 -119.891 0.562 0.375 1 ( 82 C | 83 N | 83 CA | 83 CB ) 176.764 90.000 -86.764 0.797 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 176.764 135.000 -41.764 0.395 0.200 4 ( 82 CB | 82 CA | 82 C | 83 N ) -130.913 -180.000 -49.087 0.173 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) -130.913 -90.000 40.913 0.343 0.400 2 ( 82 CB | 82 CA | 82 C | 83 N ) -130.913 -180.000 -49.087 0.552 0.300 3 ( 82 CB | 82 CA | 82 C | 82 O ) 49.395 180.000 130.605 0.619 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 49.395 90.000 40.605 0.254 0.300 2 ( 83 C | 84 N | 84 CA | 84 C ) -83.956 -180.000 -96.044 0.414 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -83.956 -45.000 38.956 0.287 0.150 4 ( 83 C | 84 N | 84 CA | 84 CB ) 154.539 90.000 -64.539 0.652 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -101.146 -180.000 -78.854 0.403 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -101.146 -60.000 41.146 0.465 0.300 3 ( 83 CB | 83 CA | 83 C | 84 N ) -101.146 -135.000 -33.854 0.342 0.200 4 ( 83 CB | 83 CA | 83 C | 83 O ) 77.822 180.000 102.178 0.454 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 77.822 45.000 -32.822 0.249 0.150 4 ( 83 CB | 83 CA | 83 C | 83 O ) 77.822 108.000 30.178 0.141 0.075 5 ( 84 C | 85 N | 85 CA | 85 C ) -69.009 -180.000 -110.991 0.509 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -69.009 -36.000 33.009 0.147 0.075 5 ( 84 C | 85 N | 85 CA | 85 CB ) 169.271 90.000 -79.271 0.772 0.400 2 ( 84 C | 85 N | 85 CA | 85 CB ) 169.271 135.000 -34.271 0.346 0.200 4 ( 84 CB | 84 CA | 84 C | 85 N ) -128.160 -180.000 -51.840 0.191 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) -128.160 -90.000 38.160 0.305 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) -128.160 -180.000 -51.840 0.573 0.300 3 ( 84 CB | 84 CA | 84 C | 84 O ) 51.573 180.000 128.427 0.608 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 51.573 90.000 38.427 0.232 0.300 2 ( 85 C | 86 N | 86 CA | 86 C ) -88.432 -180.000 -91.568 0.385 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -88.432 -45.000 43.432 0.299 0.150 4 ( 85 C | 86 N | 86 CA | 86 CB ) 148.731 180.000 31.269 0.073 0.500 1 ( 85 C | 86 N | 86 CA | 86 CB ) 148.731 90.000 -58.731 0.584 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 148.731 180.000 31.269 0.320 0.300 3 ( 85 C | 86 N | 86 CA | 86 CB ) 148.731 180.000 31.269 0.192 0.100 5 ( 85 CB | 85 CA | 85 C | 86 N ) -113.048 -180.000 -66.952 0.304 0.500 1 ( 85 CB | 85 CA | 85 C | 86 N ) -113.048 -60.000 53.048 0.580 0.300 3 ( 85 CB | 85 CA | 85 C | 85 O ) 66.850 180.000 113.150 0.522 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 66.850 36.000 -30.850 0.143 0.075 5 ( 86 C | 87 N | 87 CA | 87 C ) -96.838 -180.000 -83.162 0.330 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -96.838 -60.000 36.838 0.304 0.225 3 ( 86 C | 87 N | 87 CA | 87 C ) -96.838 -135.000 -38.162 0.283 0.150 4 ( 86 C | 87 N | 87 CA | 87 CB ) 140.613 180.000 39.387 0.114 0.500 1 ( 86 C | 87 N | 87 CA | 87 CB ) 140.613 90.000 -50.613 0.478 0.400 2 ( 86 C | 87 N | 87 CA | 87 CB ) 140.613 180.000 39.387 0.442 0.300 3 ( 86 C | 87 N | 87 CA | 87 CB ) 140.613 108.000 -32.613 0.196 0.100 5 ( 86 CB | 86 CA | 86 C | 87 N ) -147.759 -180.000 -32.241 0.077 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -147.759 -90.000 57.759 0.572 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) -147.759 -180.000 -32.241 0.335 0.300 3 ( 86 CB | 86 CA | 86 C | 87 N ) -147.759 -180.000 -32.241 0.195 0.100 5 ( 86 CB | 86 CA | 86 C | 86 O ) 34.170 180.000 145.830 0.685 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 34.170 90.000 55.830 0.411 0.300 2 ( 87 C | 88 N | 88 CA | 88 C ) -87.385 -180.000 -92.615 0.392 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -87.385 -45.000 42.385 0.298 0.150 4 ( 87 C | 88 N | 88 CA | 88 CB ) 150.206 90.000 -60.206 0.602 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -143.292 -180.000 -36.708 0.099 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -143.292 -90.000 53.292 0.514 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -143.292 -180.000 -36.708 0.403 0.300 3 ( 87 CB | 87 CA | 87 C | 88 N ) -143.292 -108.000 35.292 0.200 0.100 5 ( 87 CB | 87 CA | 87 C | 87 O ) 37.841 180.000 142.159 0.671 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 37.841 90.000 52.159 0.374 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -128.649 -180.000 -51.351 0.141 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -128.649 -90.000 38.649 0.234 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -128.649 -180.000 -51.351 0.427 0.225 3 ( 88 C | 89 N | 89 CA | 89 CB ) 109.258 180.000 70.742 0.335 0.500 1 ( 88 C | 89 N | 89 CA | 89 CB ) 109.258 60.000 -49.258 0.554 0.300 3 ( 88 CB | 88 CA | 88 C | 89 N ) -146.184 -180.000 -33.816 0.085 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -146.184 -90.000 56.184 0.552 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) -146.184 -180.000 -33.816 0.360 0.300 3 ( 88 CB | 88 CA | 88 C | 89 N ) -146.184 -180.000 -33.816 0.198 0.100 5 ( 88 CB | 88 CA | 88 C | 88 O ) 35.249 180.000 144.751 0.681 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 35.249 90.000 54.751 0.400 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -157.268 -90.000 67.268 0.510 0.300 2 ( 89 C | 90 N | 90 CA | 90 CB ) 79.449 180.000 100.551 0.592 0.500 1 ( 89 C | 90 N | 90 CA | 90 CB ) 79.449 45.000 -34.449 0.348 0.200 4 ( 89 CB | 89 CA | 89 C | 90 N ) -127.061 -180.000 -52.939 0.199 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -127.061 -90.000 37.061 0.291 0.400 2 ( 89 CB | 89 CA | 89 C | 90 N ) -127.061 -180.000 -52.939 0.580 0.300 3 ( 89 CB | 89 CA | 89 C | 89 O ) 52.772 180.000 127.228 0.602 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 52.772 90.000 37.228 0.220 0.300 2 ( 90 C | 91 N | 91 CA | 91 C ) -60.932 -180.000 -119.068 0.557 0.375 1 ( 90 C | 91 N | 91 CA | 91 CB ) 176.588 90.000 -86.588 0.797 0.400 2 ( 90 C | 91 N | 91 CA | 91 CB ) 176.588 135.000 -41.588 0.394 0.200 4 ( 90 CB | 90 CA | 90 C | 91 N ) -97.608 -180.000 -82.392 0.434 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -97.608 -60.000 37.608 0.416 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -97.608 -135.000 -37.392 0.372 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 82.721 180.000 97.279 0.423 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 82.721 45.000 -37.721 0.281 0.150 4 The following couplings have delta J greater than the cutoff: (calculated J) (observed J) (delta J) RMS diff. = 0.000, #(violat.> 1.00)= 0. of 0 J-couplings overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,vean energies: -1693.22, 81.8169, 85.4784, 41.3571, 425.799, -261.77, -2066.51, 0.565831, 4.064634E-02, $coup, $sani, $vean