NBONDS: found 119228 intra-atom interactions ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ 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 357 ========== set-i-atoms 33 ILE HG21 33 ILE HG22 33 ILE HG23 set-j-atoms 35 PHE HN R= 1.767 NOE= 3.09 (- 1.29/+ 0.46) Delta= 0.033 E(NOE)= 0.053 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.133 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.053 E(NOE)= 0.139 ========== 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= 4.082 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.022 E(NOE)= 0.024 ========== spectrum 1 restraint 1163 ========== set-i-atoms 36 PRO HB2 set-j-atoms 39 LYS HD2 R= 6.163 NOE= 5.36 (- 3.56/+ 0.80) Delta= -0.003 E(NOE)= 0.000 ========== spectrum 1 restraint 1264 ========== set-i-atoms 31 MET HE1 31 MET HE2 31 MET HE3 set-j-atoms 64 LEU HN R= 5.058 NOE= 4.37 (- 2.57/+ 0.66) Delta= -0.028 E(NOE)= 0.040 ========== spectrum 1 restraint 1305 ========== set-i-atoms 33 ILE HG21 33 ILE HG22 33 ILE HG23 set-j-atoms 37 THR HG21 37 THR HG22 37 THR HG23 R= 4.569 NOE= 3.94 (- 2.14/+ 0.59) Delta= -0.039 E(NOE)= 0.078 ========== 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= 1.797 NOE= 3.56 (- 1.76/+ 0.53) Delta= 0.003 E(NOE)= 0.001 NOEPRI: RMS diff. = 0.002, #(violat.> 0.0)= 7 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.002, #(viol.> 0.0)= 7 of 2047 NOEs ======================================== 52 LEU C 53 ALA N 53 ALA CA 53 ALA C Dihedral= -89.226 Energy= 0.000 C= 1.000 Equil= -68.600 Delta= 0.626 Range= 20.000 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 ( 1 CA | 1 C | 2 N | 2 CA ) 171.221 180.000 8.779 2.348 100.000 0 ( 2 CA | 2 C | 3 N | 3 CA ) 171.904 180.000 8.096 1.997 100.000 0 ( 6 CA | 6 C | 7 N | 7 CA ) 172.939 180.000 7.061 1.519 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 174.570 180.000 5.430 0.898 100.000 0 ( 35 CA | 35 C | 36 N | 36 CA ) -174.319 180.000 -5.681 0.983 100.000 0 ( 41 CA | 41 C | 42 N | 42 CA ) -172.707 180.000 -7.293 1.620 100.000 0 ( 43 CA | 43 C | 44 N | 44 CA ) 174.887 180.000 5.113 0.796 100.000 0 ( 57 CA | 57 C | 58 N | 58 CA ) 172.630 180.000 7.370 1.654 100.000 0 ( 70 CA | 70 C | 71 N | 71 CA ) 174.696 180.000 5.304 0.857 100.000 0 ( 73 CA | 73 C | 74 N | 74 CA ) 173.722 180.000 6.278 1.201 100.000 0 ( 77 CA | 77 C | 78 N | 78 CA ) 174.960 180.000 5.040 0.774 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) 63.316 180.000 116.684 0.543 0.375 1 ( 1 CB | 1 CA | 1 C | 2 N ) -131.355 -180.000 -48.645 0.170 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -131.355 -90.000 41.355 0.349 0.400 2 ( 1 CB | 1 CA | 1 C | 2 N ) -131.355 -180.000 -48.645 0.549 0.300 3 ( 1 CB | 1 CA | 1 C | 1 O ) 50.160 180.000 129.840 0.615 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 50.160 90.000 39.840 0.246 0.300 2 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 103.495 180.000 76.505 0.460 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -116.191 -180.000 -63.809 0.209 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -116.191 -60.000 56.191 0.446 0.225 3 ( 2 C | 3 N | 3 CA | 3 CB ) 120.681 180.000 59.319 0.245 0.500 1 ( 2 C | 3 N | 3 CA | 3 CB ) 120.681 90.000 -30.681 0.208 0.400 2 ( 2 C | 3 N | 3 CA | 3 CB ) 120.681 180.000 59.319 0.600 0.300 3 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) -108.236 -180.000 -71.764 0.412 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) -74.699 -180.000 -105.301 0.474 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -74.699 -108.000 -33.301 0.148 0.075 5 ( 3 C | 4 N | 4 CA | 4 CB ) 162.881 90.000 -72.881 0.731 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -142.994 -180.000 -37.006 0.101 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -142.994 -90.000 52.994 0.510 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -142.994 -180.000 -37.006 0.408 0.300 3 ( 3 CB | 3 CA | 3 C | 4 N ) -142.994 -108.000 34.994 0.200 0.100 5 ( 3 CB | 3 CA | 3 C | 3 O ) 38.017 180.000 141.983 0.670 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) 38.017 90.000 51.983 0.372 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) 92.930 180.000 87.070 0.569 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -77.492 -180.000 -102.508 0.456 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -77.492 -45.000 32.492 0.246 0.150 4 ( 4 C | 5 N | 5 CA | 5 C ) -77.492 -108.000 -30.508 0.142 0.075 5 ( 4 C | 5 N | 5 CA | 5 CB ) 159.954 90.000 -69.954 0.706 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) -125.476 -180.000 -54.524 0.210 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) -125.476 -90.000 35.476 0.269 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) -125.476 -180.000 -54.524 0.588 0.300 3 ( 4 CB | 4 CA | 4 C | 4 O ) 54.189 180.000 125.811 0.594 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) 54.189 90.000 35.811 0.205 0.300 2 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) 67.436 180.000 112.564 0.830 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -96.157 -180.000 -83.843 0.335 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) -96.157 -60.000 36.157 0.296 0.225 3 ( 5 C | 6 N | 6 CA | 6 C ) -96.157 -135.000 -38.843 0.286 0.150 4 ( 5 C | 6 N | 6 CA | 6 CB ) 141.280 180.000 38.720 0.110 0.500 1 ( 5 C | 6 N | 6 CA | 6 CB ) 141.280 90.000 -51.280 0.487 0.400 2 ( 5 C | 6 N | 6 CA | 6 CB ) 141.280 180.000 38.720 0.432 0.300 3 ( 5 C | 6 N | 6 CA | 6 CB ) 141.280 108.000 -33.280 0.197 0.100 5 ( 5 CB | 5 CA | 5 C | 6 N ) -101.685 -180.000 -78.315 0.399 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -101.685 -60.000 41.685 0.472 0.300 3 ( 5 CB | 5 CA | 5 C | 6 N ) -101.685 -135.000 -33.315 0.337 0.200 4 ( 5 CB | 5 CA | 5 C | 5 O ) 77.160 180.000 102.840 0.458 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 77.160 45.000 -32.160 0.244 0.150 4 ( 5 CB | 5 CA | 5 C | 5 O ) 77.160 108.000 30.840 0.143 0.075 5 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) 121.255 180.000 58.745 0.289 0.600 1 ( 7 CD2 | 7 CG | 7 CB | 7 CA ) -59.625 -90.000 -30.375 0.409 0.800 2 ( 6 C | 7 N | 7 CA | 7 C ) 80.392 180.000 99.608 0.438 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) 80.392 45.000 -35.392 0.268 0.150 4 ( 6 C | 7 N | 7 CA | 7 CB ) -44.641 -180.000 -135.359 0.856 0.500 1 ( 6 C | 7 N | 7 CA | 7 CB ) -44.641 -90.000 -45.359 0.405 0.400 2 ( 6 CB | 6 CA | 6 C | 7 N ) -63.086 -180.000 -116.914 0.726 0.500 1 ( 6 CB | 6 CA | 6 C | 6 O ) 119.469 180.000 60.531 0.191 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) 119.469 60.000 -59.469 0.450 0.225 3 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) 103.823 180.000 76.177 0.457 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -55.077 -180.000 -124.923 0.590 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -55.077 -90.000 -34.923 0.197 0.300 2 ( 7 C | 8 N | 8 CA | 8 CB ) -179.256 -90.000 89.256 0.800 0.400 2 ( 7 C | 8 N | 8 CA | 8 CB ) -179.256 -135.000 44.256 0.400 0.200 4 ( 7 CB | 7 CA | 7 C | 8 N ) 71.124 180.000 108.876 0.662 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) 71.124 36.000 -35.124 0.200 0.100 5 ( 7 CB | 7 CA | 7 C | 7 O ) -107.930 -180.000 -72.070 0.260 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) -107.930 -60.000 47.930 0.407 0.225 3 ( 8 C | 9 N | 9 CA | 9 C ) -173.347 -90.000 83.347 0.592 0.300 2 ( 8 C | 9 N | 9 CA | 9 C ) -173.347 -135.000 38.347 0.284 0.150 4 ( 8 C | 9 N | 9 CA | 9 CB ) 64.879 180.000 115.121 0.712 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -130.738 -180.000 -49.262 0.174 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -130.738 -90.000 40.738 0.341 0.400 2 ( 8 CB | 8 CA | 8 C | 9 N ) -130.738 -180.000 -49.262 0.554 0.300 3 ( 8 CB | 8 CA | 8 C | 8 O ) 49.982 180.000 130.018 0.616 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 49.982 90.000 40.018 0.248 0.300 2 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) -106.157 -180.000 -73.843 0.433 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -125.693 -180.000 -54.307 0.156 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -125.693 -90.000 35.693 0.204 0.300 2 ( 9 C | 10 N | 10 CA | 10 C ) -125.693 -180.000 -54.307 0.440 0.225 3 ( 9 C | 10 N | 10 CA | 10 CB ) 111.537 180.000 68.463 0.316 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 111.537 60.000 -51.537 0.571 0.300 3 ( 9 CB | 9 CA | 9 C | 10 N ) -85.042 -180.000 -94.958 0.543 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -85.042 -45.000 40.042 0.388 0.200 4 ( 9 CB | 9 CA | 9 C | 9 O ) 95.493 180.000 84.507 0.339 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 95.493 60.000 -35.493 0.289 0.225 3 ( 9 CB | 9 CA | 9 C | 9 O ) 95.493 135.000 39.507 0.289 0.150 4 ( 10 C | 11 N | 11 CA | 11 C ) -104.875 -180.000 -75.125 0.279 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -104.875 -60.000 44.875 0.383 0.225 3 ( 10 C | 11 N | 11 CA | 11 C ) -104.875 -135.000 -30.125 0.226 0.150 4 ( 10 C | 11 N | 11 CA | 11 CB ) 132.196 180.000 47.804 0.164 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 132.196 90.000 -42.196 0.361 0.400 2 ( 10 C | 11 N | 11 CA | 11 CB ) 132.196 180.000 47.804 0.541 0.300 3 ( 10 CB | 10 CA | 10 C | 11 N ) -73.620 -180.000 -106.380 0.641 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) -73.620 -108.000 -34.380 0.199 0.100 5 ( 10 CB | 10 CA | 10 C | 10 O ) 106.290 180.000 73.710 0.270 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) 106.290 60.000 -46.290 0.394 0.225 3 ( 11 C | 12 N | 12 CA | 12 C ) -48.235 -180.000 -131.765 0.625 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) -48.235 -90.000 -41.765 0.266 0.300 2 ( 11 C | 12 N | 12 CA | 12 CB ) -171.498 -90.000 81.498 0.783 0.400 2 ( 11 C | 12 N | 12 CA | 12 CB ) -171.498 -135.000 36.498 0.366 0.200 4 ( 11 CB | 11 CA | 11 C | 12 N ) 160.648 90.000 -70.648 0.712 0.400 2 ( 11 CB | 11 CA | 11 C | 11 O ) -21.047 -180.000 -158.953 0.725 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) -21.047 -90.000 -68.953 0.523 0.300 2 ( 11 CB | 11 CA | 11 C | 11 O ) -21.047 -60.000 -38.953 0.327 0.225 3 ( 12 C | 13 N | 13 CA | 13 C ) -134.352 -180.000 -45.648 0.113 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -134.352 -90.000 44.352 0.293 0.300 2 ( 12 C | 13 N | 13 CA | 13 C ) -134.352 -180.000 -45.648 0.389 0.225 3 ( 12 C | 13 N | 13 CA | 13 CB ) 102.340 180.000 77.660 0.393 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) 102.340 60.000 -42.340 0.481 0.300 3 ( 12 C | 13 N | 13 CA | 13 CB ) 102.340 135.000 32.660 0.330 0.200 4 ( 12 CB | 12 CA | 12 C | 13 N ) -116.060 -180.000 -63.940 0.280 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -116.060 -60.000 56.060 0.594 0.300 3 ( 12 CB | 12 CA | 12 C | 12 O ) 63.143 180.000 116.857 0.544 0.375 1 ( 13 CB | 13 CA | 13 C | 14 N ) -153.403 -90.000 63.403 0.640 0.400 2 ( 13 CB | 13 CA | 13 C | 13 O ) 29.486 180.000 150.514 0.701 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 29.486 90.000 60.514 0.455 0.300 2 ( 13 CB | 13 CA | 13 C | 13 O ) 29.486 60.000 30.514 0.231 0.225 3 ( 14 C | 15 N | 15 CA | 15 C ) -107.919 -180.000 -72.081 0.260 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -107.919 -60.000 47.919 0.406 0.225 3 ( 14 C | 15 N | 15 CA | 15 CB ) 130.067 180.000 49.933 0.178 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 130.067 90.000 -40.067 0.331 0.400 2 ( 14 C | 15 N | 15 CA | 15 CB ) 130.067 180.000 49.933 0.559 0.300 3 ( 14 CB | 14 CA | 14 C | 15 N ) -123.570 -180.000 -56.430 0.224 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -123.570 -90.000 33.570 0.245 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -123.570 -180.000 -56.430 0.595 0.300 3 ( 14 CB | 14 CA | 14 C | 14 O ) 56.596 180.000 123.404 0.581 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 56.596 90.000 33.404 0.182 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -140.338 -180.000 -39.662 0.086 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -140.338 -90.000 50.338 0.356 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -140.338 -180.000 -39.662 0.334 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -140.338 -108.000 32.338 0.146 0.075 5 ( 15 C | 16 N | 16 CA | 16 CB ) 96.923 180.000 83.077 0.440 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 96.923 60.000 -36.923 0.406 0.300 3 ( 15 C | 16 N | 16 CA | 16 CB ) 96.923 135.000 38.077 0.377 0.200 4 ( 15 CB | 15 CA | 15 C | 16 N ) -122.836 -180.000 -57.164 0.229 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) -122.836 -90.000 32.836 0.235 0.400 2 ( 15 CB | 15 CA | 15 C | 16 N ) -122.836 -180.000 -57.164 0.597 0.300 3 ( 15 CB | 15 CA | 15 C | 15 O ) 56.903 180.000 123.097 0.580 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) 56.903 90.000 33.097 0.179 0.300 2 ( 16 C | 17 N | 17 CA | 17 C ) -125.169 -180.000 -54.831 0.159 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -125.169 -90.000 35.169 0.199 0.300 2 ( 16 C | 17 N | 17 CA | 17 C ) -125.169 -180.000 -54.831 0.442 0.225 3 ( 16 C | 17 N | 17 CA | 17 CB ) 110.320 180.000 69.680 0.326 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 110.320 60.000 -50.320 0.562 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -99.788 -180.000 -80.212 0.415 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -99.788 -60.000 39.788 0.447 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -99.788 -135.000 -35.212 0.355 0.200 4 ( 16 CB | 16 CA | 16 C | 16 O ) 79.602 180.000 100.398 0.443 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 79.602 45.000 -34.602 0.262 0.150 4 ( 17 C | 18 N | 18 CA | 18 C ) 168.387 90.000 -78.387 0.576 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) 168.387 135.000 -33.387 0.253 0.150 4 ( 17 CB | 17 CA | 17 C | 18 N ) -85.727 -180.000 -94.273 0.537 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -85.727 -45.000 40.727 0.391 0.200 4 ( 17 CB | 17 CA | 17 C | 17 O ) 94.496 180.000 85.504 0.346 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 94.496 60.000 -34.496 0.277 0.225 3 ( 17 CB | 17 CA | 17 C | 17 O ) 94.496 135.000 40.504 0.293 0.150 4 ( 18 C | 19 N | 19 CA | 19 C ) -69.549 -180.000 -110.451 0.506 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -69.549 -36.000 33.549 0.148 0.075 5 ( 18 C | 19 N | 19 CA | 19 CB ) 167.824 90.000 -77.824 0.764 0.400 2 ( 18 C | 19 N | 19 CA | 19 CB ) 167.824 135.000 -32.824 0.332 0.200 4 ( 19 C | 20 N | 20 CA | 20 C ) -90.812 -180.000 -89.188 0.370 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -90.812 -60.000 30.812 0.235 0.225 3 ( 19 C | 20 N | 20 CA | 20 C ) -90.812 -135.000 -44.188 0.300 0.150 4 ( 19 C | 20 N | 20 CA | 20 CB ) 146.390 180.000 33.610 0.084 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 146.390 90.000 -56.390 0.555 0.400 2 ( 19 C | 20 N | 20 CA | 20 CB ) 146.390 180.000 33.610 0.356 0.300 3 ( 19 C | 20 N | 20 CA | 20 CB ) 146.390 180.000 33.610 0.198 0.100 5 ( 19 CB | 19 CA | 19 C | 20 N ) -126.915 -180.000 -53.085 0.200 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -126.915 -90.000 36.915 0.289 0.400 2 ( 19 CB | 19 CA | 19 C | 20 N ) -126.915 -180.000 -53.085 0.581 0.300 3 ( 19 CB | 19 CA | 19 C | 19 O ) 53.259 180.000 126.741 0.599 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 53.259 90.000 36.741 0.215 0.300 2 ( 20 C | 21 N | 21 CA | 21 C ) -89.612 -180.000 -90.388 0.378 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) -89.612 -45.000 44.612 0.300 0.150 4 ( 20 CB | 20 CA | 20 C | 21 N ) -107.000 -180.000 -73.000 0.354 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) -107.000 -60.000 47.000 0.533 0.300 3 ( 20 CB | 20 CA | 20 C | 20 O ) 72.890 180.000 107.110 0.485 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 72.890 108.000 35.110 0.150 0.075 5 ( 21 C | 22 N | 22 CA | 22 C ) -71.704 -180.000 -108.296 0.493 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -71.704 -36.000 35.704 0.150 0.075 5 ( 21 C | 22 N | 22 CA | 22 CB ) 166.137 90.000 -76.137 0.754 0.400 2 ( 21 C | 22 N | 22 CA | 22 CB ) 166.137 135.000 -31.137 0.313 0.200 4 ( 23 CZ | 23 NE | 23 CD | 23 CG ) -142.062 -180.000 -37.938 0.423 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -53.202 -180.000 -126.798 0.600 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -53.202 -90.000 -36.798 0.215 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -175.419 -90.000 85.419 0.795 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -175.419 -135.000 40.419 0.390 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -57.829 -180.000 -122.171 0.766 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -57.829 -90.000 -32.171 0.227 0.400 2 ( 22 CB | 22 CA | 22 C | 22 O ) 121.460 180.000 58.540 0.179 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 121.460 90.000 -31.460 0.163 0.300 2 ( 22 CB | 22 CA | 22 C | 22 O ) 121.460 180.000 58.540 0.449 0.225 3 ( 23 C | 24 N | 24 CA | 24 C ) -64.204 -180.000 -115.796 0.538 0.375 1 ( 23 C | 24 N | 24 CA | 24 CB ) 171.957 90.000 -81.957 0.784 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 171.957 135.000 -36.957 0.369 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 80.442 180.000 99.558 0.583 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 80.442 45.000 -35.442 0.357 0.200 4 ( 23 CB | 23 CA | 23 C | 23 O ) -99.546 -180.000 -80.454 0.313 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -99.546 -60.000 39.546 0.333 0.225 3 ( 23 CB | 23 CA | 23 C | 23 O ) -99.546 -135.000 -35.454 0.268 0.150 4 ( 24 C | 25 N | 25 CA | 25 C ) -55.105 -180.000 -124.895 0.590 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -55.105 -90.000 -34.895 0.196 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -178.032 -90.000 88.032 0.799 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -178.032 -135.000 43.032 0.398 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 73.043 180.000 106.957 0.646 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 73.043 108.000 34.957 0.200 0.100 5 ( 24 CB | 24 CA | 24 C | 24 O ) -107.873 -180.000 -72.127 0.260 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -107.873 -60.000 47.873 0.406 0.225 3 ( 25 C | 26 N | 26 CA | 26 C ) -58.843 -180.000 -121.157 0.569 0.375 1 ( 25 C | 26 N | 26 CA | 26 C ) -58.843 -90.000 -31.157 0.161 0.300 2 ( 25 C | 26 N | 26 CA | 26 CB ) 177.399 90.000 -87.399 0.798 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 177.399 135.000 -42.399 0.397 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 93.127 180.000 86.873 0.473 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 93.127 60.000 -33.127 0.349 0.300 3 ( 25 CB | 25 CA | 25 C | 26 N ) 93.127 135.000 41.873 0.395 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -87.611 -180.000 -92.389 0.391 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -87.611 -45.000 42.611 0.298 0.150 4 ( 27 CZ | 27 NE | 27 CD | 27 CG ) -127.176 -180.000 -52.824 0.791 2.000 1 ( 26 C | 27 N | 27 CA | 27 C ) -74.334 -180.000 -105.666 0.476 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -74.334 -108.000 -33.666 0.148 0.075 5 ( 26 C | 27 N | 27 CA | 27 CB ) 163.631 90.000 -73.631 0.736 0.400 2 ( 26 CB | 26 CA | 26 C | 27 N ) 91.896 180.000 88.104 0.483 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 91.896 60.000 -31.896 0.330 0.300 3 ( 26 CB | 26 CA | 26 C | 27 N ) 91.896 135.000 43.104 0.398 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -88.805 -180.000 -91.195 0.383 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -88.805 -45.000 43.805 0.299 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -57.212 -180.000 -122.788 0.578 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -57.212 -90.000 -32.788 0.176 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.616 90.000 -89.616 0.800 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.616 135.000 -44.616 0.400 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 82.814 180.000 97.186 0.563 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 82.814 45.000 -37.814 0.375 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -97.934 -180.000 -82.066 0.323 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -97.934 -60.000 37.934 0.316 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -97.934 -135.000 -37.066 0.278 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -76.143 -180.000 -103.857 0.465 0.375 1 ( 28 C | 29 N | 29 CA | 29 C ) -76.143 -45.000 31.143 0.235 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -76.143 -108.000 -31.857 0.145 0.075 5 ( 28 C | 29 N | 29 CA | 29 CB ) 159.141 90.000 -69.141 0.699 0.400 2 ( 28 CB | 28 CA | 28 C | 29 N ) 75.757 180.000 104.243 0.623 0.500 1 ( 28 CB | 28 CA | 28 C | 29 N ) 75.757 45.000 -30.757 0.309 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 75.757 108.000 32.243 0.195 0.100 5 ( 28 CB | 28 CA | 28 C | 28 O ) -104.821 -180.000 -75.179 0.279 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -104.821 -60.000 44.821 0.383 0.225 3 ( 28 CB | 28 CA | 28 C | 28 O ) -104.821 -135.000 -30.179 0.227 0.150 4 ( 29 C | 30 N | 30 CA | 30 C ) -65.721 -180.000 -114.279 0.529 0.375 1 ( 29 C | 30 N | 30 CA | 30 CB ) 171.415 90.000 -81.415 0.782 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 171.415 135.000 -36.415 0.365 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 100.510 180.000 79.490 0.409 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 100.510 60.000 -40.510 0.457 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 100.510 135.000 34.490 0.349 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -79.843 -180.000 -100.157 0.441 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -79.843 -45.000 34.843 0.264 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -92.726 -180.000 -87.274 0.357 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -92.726 -60.000 32.726 0.257 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -92.726 -135.000 -42.274 0.297 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 144.976 180.000 35.024 0.091 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 144.976 90.000 -54.976 0.536 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 144.976 180.000 35.024 0.378 0.300 3 ( 30 C | 31 N | 31 CA | 31 CB ) 144.976 180.000 35.024 0.200 0.100 5 ( 30 CB | 30 CA | 30 C | 31 N ) 79.311 180.000 100.689 0.593 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 79.311 45.000 -34.311 0.347 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -100.847 -180.000 -79.153 0.304 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -100.847 -60.000 40.847 0.346 0.225 3 ( 30 CB | 30 CA | 30 C | 30 O ) -100.847 -135.000 -34.153 0.259 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 61.691 180.000 118.309 0.553 0.375 1 ( 31 C | 32 N | 32 CA | 32 CB ) -64.161 -180.000 -115.839 0.718 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 119.231 180.000 60.769 0.256 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 119.231 60.000 -59.231 0.600 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -60.504 -180.000 -119.496 0.560 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -101.949 -180.000 -78.051 0.297 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -101.949 -60.000 41.949 0.357 0.225 3 ( 32 C | 33 N | 33 CA | 33 C ) -101.949 -135.000 -33.051 0.251 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 136.198 180.000 43.802 0.139 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 136.198 90.000 -46.198 0.417 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 136.198 180.000 43.802 0.498 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -152.703 -90.000 62.703 0.632 0.400 2 ( 32 CB | 32 CA | 32 C | 32 O ) 28.556 180.000 151.444 0.704 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 28.556 90.000 61.444 0.463 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) 28.556 60.000 31.444 0.242 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -109.056 -180.000 -70.944 0.337 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -109.056 -60.000 49.056 0.552 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 71.425 180.000 108.575 0.494 0.375 1 ( 33 CB | 33 CA | 33 C | 33 O ) 71.425 36.000 -35.425 0.150 0.075 5 ( 34 C | 35 N | 35 CA | 35 C ) -151.576 -90.000 61.576 0.464 0.300 2 ( 34 C | 35 N | 35 CA | 35 CB ) 84.080 180.000 95.920 0.552 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 84.080 45.000 -39.080 0.383 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 135.291 180.000 44.709 0.145 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 135.291 90.000 -45.291 0.404 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 135.291 180.000 44.709 0.509 0.300 3 ( 34 CB | 34 CA | 34 C | 34 O ) -45.693 -180.000 -134.307 0.637 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -45.693 -90.000 -44.307 0.293 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -83.569 -180.000 -96.431 0.556 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -83.569 -45.000 38.569 0.380 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 96.626 180.000 83.374 0.332 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 96.626 60.000 -36.626 0.302 0.225 3 ( 35 CB | 35 CA | 35 C | 35 O ) 96.626 135.000 38.374 0.284 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -65.091 -180.000 -114.909 0.533 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 172.575 90.000 -82.575 0.787 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 172.575 135.000 -37.575 0.374 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -89.943 -180.000 -90.057 0.500 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -89.943 -45.000 44.943 0.400 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 88.383 180.000 91.617 0.386 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 88.383 45.000 -43.383 0.299 0.150 4 ( 37 C | 38 N | 38 CA | 38 C ) -55.227 -180.000 -124.773 0.589 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -55.227 -90.000 -34.773 0.195 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -177.303 -90.000 87.303 0.798 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -177.303 -135.000 42.303 0.396 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 89.119 180.000 90.881 0.508 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 89.119 45.000 -44.119 0.400 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -91.506 -180.000 -88.494 0.365 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -91.506 -60.000 31.506 0.243 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -91.506 -135.000 -43.494 0.299 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -59.747 -180.000 -120.253 0.564 0.375 1 ( 38 C | 39 N | 39 CA | 39 C ) -59.747 -90.000 -30.253 0.152 0.300 2 ( 38 C | 39 N | 39 CA | 39 CB ) 177.695 90.000 -87.695 0.799 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 177.695 135.000 -42.695 0.397 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 76.651 180.000 103.349 0.615 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 76.651 45.000 -31.651 0.319 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 76.651 108.000 31.349 0.192 0.100 5 ( 38 CB | 38 CA | 38 C | 38 O ) -103.840 -180.000 -76.160 0.285 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -103.840 -60.000 43.840 0.374 0.225 3 ( 38 CB | 38 CA | 38 C | 38 O ) -103.840 -135.000 -31.160 0.235 0.150 4 ( 39 C | 40 N | 40 CA | 40 C ) -59.327 -180.000 -120.673 0.566 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -59.327 -90.000 -30.673 0.156 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) 179.338 90.000 -89.338 0.800 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) 179.338 135.000 -44.338 0.400 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 82.059 180.000 97.941 0.569 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 82.059 45.000 -37.059 0.370 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -99.281 -180.000 -80.719 0.315 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -99.281 -60.000 39.281 0.330 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -99.281 -135.000 -35.719 0.270 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -87.442 -180.000 -92.558 0.392 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -87.442 -45.000 42.442 0.298 0.150 4 ( 40 C | 41 N | 41 CA | 41 CB ) 150.178 90.000 -60.178 0.602 0.400 2 ( 40 CB | 40 CA | 40 C | 41 N ) 90.955 180.000 89.045 0.492 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 90.955 60.000 -30.955 0.315 0.300 3 ( 40 CB | 40 CA | 40 C | 41 N ) 90.955 135.000 44.045 0.400 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -89.183 -180.000 -90.817 0.380 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -89.183 -45.000 44.183 0.300 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -71.302 -180.000 -108.698 0.495 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -71.302 -36.000 35.302 0.150 0.075 5 ( 41 C | 42 N | 42 CA | 42 CB ) 164.651 90.000 -74.651 0.744 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 70.562 180.000 109.438 0.666 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 70.562 36.000 -34.562 0.199 0.100 5 ( 41 CB | 41 CA | 41 C | 41 O ) -109.670 -180.000 -70.330 0.249 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -109.670 -60.000 49.670 0.418 0.225 3 ( 42 C | 43 N | 43 CA | 43 C ) -70.394 -180.000 -109.606 0.501 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -70.394 -36.000 34.394 0.149 0.075 5 ( 42 C | 43 N | 43 CA | 43 CB ) 167.373 90.000 -77.373 0.762 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 167.373 135.000 -32.373 0.327 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 102.083 180.000 77.917 0.395 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 102.083 60.000 -42.083 0.477 0.300 3 ( 42 CB | 42 CA | 42 C | 43 N ) 102.083 135.000 32.917 0.333 0.200 4 ( 42 CB | 42 CA | 42 C | 42 O ) -77.572 -180.000 -102.428 0.456 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -77.572 -45.000 32.572 0.247 0.150 4 ( 42 CB | 42 CA | 42 C | 42 O ) -77.572 -108.000 -30.428 0.141 0.075 5 ( 43 CB | 43 CA | 43 C | 44 N ) -97.311 -180.000 -82.689 0.436 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -97.311 -60.000 37.311 0.412 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -97.311 -135.000 -37.689 0.375 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 83.413 180.000 96.587 0.418 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 83.413 45.000 -38.413 0.284 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -47.623 -180.000 -132.377 0.628 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -47.623 -90.000 -42.377 0.273 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -171.077 -90.000 81.077 0.781 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -171.077 -135.000 36.077 0.362 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -84.074 -180.000 -95.926 0.552 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -84.074 -45.000 39.074 0.383 0.200 4 ( 44 CB | 44 CA | 44 C | 44 O ) 95.491 180.000 84.509 0.339 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 95.491 60.000 -35.491 0.289 0.225 3 ( 44 CB | 44 CA | 44 C | 44 O ) 95.491 135.000 39.509 0.289 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -59.924 -180.000 -120.076 0.563 0.375 1 ( 45 C | 46 N | 46 CA | 46 C ) -59.924 -90.000 -30.076 0.151 0.300 2 ( 45 C | 46 N | 46 CA | 46 CB ) 177.975 90.000 -87.975 0.799 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 177.975 135.000 -42.975 0.398 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 86.577 180.000 93.423 0.530 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 86.577 45.000 -41.577 0.394 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -94.127 -180.000 -85.873 0.348 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -94.127 -60.000 34.127 0.273 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -94.127 -135.000 -40.873 0.294 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -59.443 -180.000 -120.557 0.566 0.375 1 ( 46 C | 47 N | 47 CA | 47 C ) -59.443 -90.000 -30.557 0.155 0.300 2 ( 46 C | 47 N | 47 CA | 47 CB ) 177.812 90.000 -87.812 0.799 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 177.812 135.000 -42.812 0.398 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 59.849 180.000 120.151 0.751 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 59.849 90.000 30.151 0.202 0.400 2 ( 46 CB | 46 CA | 46 C | 46 O ) -120.878 -180.000 -59.122 0.183 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -120.878 -90.000 30.878 0.158 0.300 2 ( 46 CB | 46 CA | 46 C | 46 O ) -120.878 -180.000 -59.122 0.450 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -67.807 -180.000 -112.193 0.517 0.375 1 ( 47 C | 48 N | 48 CA | 48 C ) -67.807 -36.000 31.807 0.145 0.075 5 ( 47 C | 48 N | 48 CA | 48 CB ) 169.737 90.000 -79.737 0.775 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 169.737 135.000 -34.737 0.351 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 96.598 180.000 83.402 0.443 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 96.598 60.000 -36.598 0.402 0.300 3 ( 47 CB | 47 CA | 47 C | 48 N ) 96.598 135.000 38.402 0.379 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -83.306 -180.000 -96.694 0.419 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -83.306 -45.000 38.306 0.284 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -60.982 -180.000 -119.018 0.557 0.375 1 ( 48 C | 49 N | 49 CA | 49 CB ) 176.829 90.000 -86.829 0.798 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 176.829 135.000 -41.829 0.395 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 72.089 180.000 107.911 0.654 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 72.089 108.000 35.911 0.200 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -108.188 -180.000 -71.812 0.258 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -108.188 -60.000 48.188 0.408 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -68.395 -180.000 -111.605 0.513 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -68.395 -36.000 32.395 0.146 0.075 5 ( 49 C | 50 N | 50 CA | 50 CB ) 169.427 90.000 -79.427 0.773 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) 169.427 135.000 -34.427 0.348 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 83.100 180.000 96.900 0.560 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 83.100 45.000 -38.100 0.377 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -97.493 -180.000 -82.507 0.326 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -97.493 -60.000 37.493 0.311 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -97.493 -135.000 -37.507 0.280 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -55.630 -180.000 -124.370 0.587 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -55.630 -90.000 -34.370 0.191 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -177.119 -90.000 87.119 0.798 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -177.119 -135.000 42.119 0.396 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 88.831 180.000 91.169 0.510 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 88.831 45.000 -43.831 0.399 0.200 4 ( 50 CB | 50 CA | 50 C | 50 O ) -91.721 -180.000 -88.279 0.364 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -91.721 -60.000 31.721 0.245 0.225 3 ( 50 CB | 50 CA | 50 C | 50 O ) -91.721 -135.000 -43.279 0.299 0.150 4 ( 51 C | 52 N | 52 CA | 52 C ) -65.880 -180.000 -114.120 0.528 0.375 1 ( 51 C | 52 N | 52 CA | 52 CB ) 172.015 90.000 -82.015 0.785 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 172.015 135.000 -37.015 0.370 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 75.466 180.000 104.534 0.625 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 75.466 45.000 -30.466 0.306 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 75.466 108.000 32.534 0.195 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -105.982 -180.000 -74.018 0.272 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -105.982 -60.000 45.982 0.392 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -89.226 -180.000 -90.774 0.380 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -89.226 -45.000 44.226 0.300 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 147.904 180.000 32.096 0.076 0.500 1 ( 52 C | 53 N | 53 CA | 53 CB ) 147.904 90.000 -57.904 0.574 0.400 2 ( 52 C | 53 N | 53 CA | 53 CB ) 147.904 180.000 32.096 0.333 0.300 3 ( 52 C | 53 N | 53 CA | 53 CB ) 147.904 180.000 32.096 0.194 0.100 5 ( 52 CB | 52 CA | 52 C | 53 N ) 94.938 180.000 85.062 0.457 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 94.938 60.000 -34.938 0.377 0.300 3 ( 52 CB | 52 CA | 52 C | 53 N ) 94.938 135.000 40.062 0.388 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -84.201 -180.000 -95.799 0.413 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -84.201 -45.000 39.201 0.288 0.150 4 ( 54 CZ | 54 NE | 54 CD | 54 CG ) 143.272 180.000 36.728 0.397 2.000 1 ( 53 C | 54 N | 54 CA | 54 C ) -80.544 -180.000 -99.456 0.437 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -80.544 -45.000 35.544 0.268 0.150 4 ( 53 C | 54 N | 54 CA | 54 CB ) 156.040 90.000 -66.040 0.668 0.400 2 ( 53 CB | 53 CA | 53 C | 54 N ) 97.282 180.000 82.718 0.437 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 97.282 60.000 -37.282 0.412 0.300 3 ( 53 CB | 53 CA | 53 C | 54 N ) 97.282 135.000 37.718 0.375 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -82.061 -180.000 -97.939 0.427 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -82.061 -45.000 37.061 0.278 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -95.157 -180.000 -84.843 0.341 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -95.157 -60.000 35.157 0.285 0.225 3 ( 54 C | 55 N | 55 CA | 55 C ) -95.157 -135.000 -39.843 0.290 0.150 4 ( 54 C | 55 N | 55 CA | 55 CB ) 142.570 180.000 37.430 0.103 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 142.570 90.000 -52.570 0.504 0.400 2 ( 54 C | 55 N | 55 CA | 55 CB ) 142.570 180.000 37.430 0.414 0.300 3 ( 54 C | 55 N | 55 CA | 55 CB ) 142.570 108.000 -34.570 0.199 0.100 5 ( 54 CB | 54 CA | 54 C | 55 N ) 80.895 180.000 99.105 0.579 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 80.895 45.000 -35.895 0.361 0.200 4 ( 54 CB | 54 CA | 54 C | 54 O ) -98.837 -180.000 -81.163 0.317 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -98.837 -60.000 38.837 0.325 0.225 3 ( 54 CB | 54 CA | 54 C | 54 O ) -98.837 -135.000 -36.163 0.272 0.150 4 ( 55 CB | 55 CA | 55 C | 56 N ) -108.922 -180.000 -71.078 0.338 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -108.922 -60.000 48.922 0.551 0.300 3 ( 55 CB | 55 CA | 55 C | 55 O ) 71.047 180.000 108.953 0.497 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 71.047 36.000 -35.047 0.150 0.075 5 ( 56 C | 57 N | 57 CA | 57 C ) -133.357 -180.000 -46.643 0.118 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -133.357 -90.000 43.357 0.283 0.300 2 ( 56 C | 57 N | 57 CA | 57 C ) -133.357 -180.000 -46.643 0.397 0.225 3 ( 56 C | 57 N | 57 CA | 57 CB ) 105.483 180.000 74.517 0.367 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 105.483 60.000 -45.483 0.517 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -138.479 -180.000 -41.521 0.126 0.500 1 ( 56 CB | 56 CA | 56 C | 57 N ) -138.479 -90.000 48.479 0.448 0.400 2 ( 56 CB | 56 CA | 56 C | 57 N ) -138.479 -180.000 -41.521 0.470 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -138.479 -108.000 30.479 0.189 0.100 5 ( 56 CB | 56 CA | 56 C | 56 O ) 42.010 180.000 137.990 0.654 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 42.010 90.000 47.990 0.331 0.300 2 ( 57 C | 58 N | 58 CA | 58 C ) -82.471 -180.000 -97.529 0.424 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -82.471 -45.000 37.471 0.280 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 156.268 90.000 -66.268 0.670 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -87.712 -180.000 -92.288 0.520 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -87.712 -45.000 42.712 0.397 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 92.715 180.000 87.285 0.357 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 92.715 60.000 -32.715 0.257 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 92.715 135.000 42.285 0.297 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -49.695 -180.000 -130.305 0.618 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -49.695 -90.000 -40.305 0.251 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -172.991 -90.000 82.991 0.788 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -172.991 -135.000 37.991 0.377 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -79.268 -180.000 -100.732 0.593 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -79.268 -45.000 34.268 0.346 0.200 4 ( 58 CB | 58 CA | 58 C | 58 O ) 100.249 180.000 79.751 0.308 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 100.249 60.000 -40.249 0.340 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 100.249 135.000 34.751 0.263 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -61.631 -180.000 -118.369 0.553 0.375 1 ( 59 C | 60 N | 60 CA | 60 CB ) 176.151 90.000 -86.151 0.796 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 176.151 135.000 -41.151 0.393 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 83.141 180.000 96.859 0.560 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 83.141 45.000 -38.141 0.378 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -97.828 -180.000 -82.172 0.324 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -97.828 -60.000 37.828 0.315 0.225 3 ( 59 CB | 59 CA | 59 C | 59 O ) -97.828 -135.000 -37.172 0.278 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -70.817 -180.000 -109.183 0.498 0.375 1 ( 60 C | 61 N | 61 CA | 61 C ) -70.817 -36.000 34.817 0.150 0.075 5 ( 60 C | 61 N | 61 CA | 61 CB ) 165.748 90.000 -75.748 0.752 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 165.748 135.000 -30.748 0.309 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 86.325 180.000 93.675 0.532 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 86.325 45.000 -41.325 0.393 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -93.879 -180.000 -86.121 0.350 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -93.879 -60.000 33.879 0.270 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -93.879 -135.000 -41.121 0.295 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -57.772 -180.000 -122.228 0.575 0.375 1 ( 61 C | 62 N | 62 CA | 62 C ) -57.772 -90.000 -32.228 0.171 0.300 2 ( 61 C | 62 N | 62 CA | 62 CB ) -179.907 -90.000 89.907 0.800 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) -179.907 -135.000 44.907 0.400 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 80.246 180.000 99.754 0.585 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 80.246 45.000 -35.246 0.355 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -100.439 -180.000 -79.561 0.307 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -100.439 -60.000 40.439 0.342 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -100.439 -135.000 -34.561 0.262 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -58.411 -180.000 -121.589 0.571 0.375 1 ( 62 C | 63 N | 63 CA | 63 C ) -58.411 -90.000 -31.589 0.165 0.300 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.638 90.000 -88.638 0.800 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.638 135.000 -43.638 0.399 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 76.254 180.000 103.746 0.619 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 76.254 45.000 -31.254 0.315 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 76.254 108.000 31.746 0.193 0.100 5 ( 62 CB | 62 CA | 62 C | 62 O ) -103.853 -180.000 -76.147 0.285 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -103.853 -60.000 43.853 0.374 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -103.853 -135.000 -31.147 0.235 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -62.896 -180.000 -117.104 0.546 0.375 1 ( 63 C | 64 N | 64 CA | 64 CB ) 175.174 90.000 -85.174 0.794 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 175.174 135.000 -40.174 0.389 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 84.071 180.000 95.929 0.552 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 84.071 45.000 -39.071 0.383 0.200 4 ( 63 CB | 63 CA | 63 C | 63 O ) -95.664 -180.000 -84.336 0.338 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -95.664 -60.000 35.664 0.291 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -95.664 -135.000 -39.336 0.288 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -52.832 -180.000 -127.168 0.602 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -52.832 -90.000 -37.168 0.219 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -175.402 -90.000 85.402 0.795 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -175.402 -135.000 40.402 0.390 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 72.028 180.000 107.972 0.654 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 72.028 108.000 35.972 0.200 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -108.089 -180.000 -71.911 0.259 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -108.089 -60.000 48.089 0.408 0.225 3 ( 66 CZ | 66 NE | 66 CD | 66 CG ) 141.797 180.000 38.203 0.428 2.000 1 ( 65 C | 66 N | 66 CA | 66 C ) -61.894 -180.000 -118.106 0.552 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 175.873 90.000 -85.873 0.796 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 175.873 135.000 -40.873 0.392 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 82.950 180.000 97.050 0.561 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 82.950 45.000 -37.950 0.376 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -97.918 -180.000 -82.082 0.323 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -97.918 -60.000 37.918 0.316 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -97.918 -135.000 -37.082 0.278 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -58.643 -180.000 -121.357 0.570 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -58.643 -90.000 -31.357 0.162 0.300 2 ( 66 C | 67 N | 67 CA | 67 CB ) 179.111 90.000 -89.111 0.800 0.400 2 ( 66 C | 67 N | 67 CA | 67 CB ) 179.111 135.000 -44.111 0.400 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 76.029 180.000 103.971 0.621 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 76.029 45.000 -31.029 0.312 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 76.029 108.000 31.971 0.194 0.100 5 ( 66 CB | 66 CA | 66 C | 66 O ) -104.352 -180.000 -75.648 0.282 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -104.352 -60.000 44.352 0.379 0.225 3 ( 66 CB | 66 CA | 66 C | 66 O ) -104.352 -135.000 -30.648 0.231 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -64.792 -180.000 -115.208 0.535 0.375 1 ( 67 C | 68 N | 68 CA | 68 CB ) 172.350 90.000 -82.350 0.786 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 172.350 135.000 -37.350 0.372 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 80.832 180.000 99.168 0.580 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 80.832 45.000 -35.832 0.360 0.200 4 ( 67 CB | 67 CA | 67 C | 67 O ) -99.868 -180.000 -80.132 0.311 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -99.868 -60.000 39.868 0.336 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -99.868 -135.000 -35.132 0.266 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) 97.852 180.000 82.148 1.727 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -68.609 -180.000 -111.391 0.512 0.375 1 ( 68 C | 69 N | 69 CA | 69 C ) -68.609 -36.000 32.609 0.147 0.075 5 ( 68 C | 69 N | 69 CA | 69 CB ) 167.956 90.000 -77.956 0.765 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 167.956 135.000 -32.956 0.333 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 85.511 180.000 94.489 0.539 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 85.511 45.000 -40.511 0.390 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -95.045 -180.000 -84.955 0.342 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -95.045 -60.000 35.045 0.284 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -95.045 -135.000 -39.955 0.291 0.150 4 ( 70 CZ | 70 NE | 70 CD | 70 CG ) -116.352 -180.000 -63.648 1.112 2.000 1 ( 69 C | 70 N | 70 CA | 70 C ) -58.676 -180.000 -121.324 0.570 0.375 1 ( 69 C | 70 N | 70 CA | 70 C ) -58.676 -90.000 -31.324 0.162 0.300 2 ( 69 C | 70 N | 70 CA | 70 CB ) 179.066 90.000 -89.066 0.800 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 179.066 135.000 -44.066 0.400 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 84.086 180.000 95.914 0.552 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 84.086 45.000 -39.086 0.383 0.200 4 ( 69 CB | 69 CA | 69 C | 69 O ) -96.160 -180.000 -83.840 0.335 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -96.160 -60.000 36.160 0.296 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -96.160 -135.000 -38.840 0.286 0.150 4 ( 70 C | 71 N | 71 CA | 71 C ) -68.682 -180.000 -111.318 0.511 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -68.682 -36.000 32.682 0.147 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 169.344 90.000 -79.344 0.773 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) 169.344 135.000 -34.344 0.347 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 85.437 180.000 94.563 0.540 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 85.437 45.000 -40.437 0.390 0.200 4 ( 70 CB | 70 CA | 70 C | 70 O ) -95.004 -180.000 -84.996 0.342 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -95.004 -60.000 35.004 0.283 0.225 3 ( 70 CB | 70 CA | 70 C | 70 O ) -95.004 -135.000 -39.996 0.291 0.150 4 ( 71 C | 72 N | 72 CA | 72 C ) -63.027 -180.000 -116.973 0.545 0.375 1 ( 71 CB | 71 CA | 71 C | 72 N ) 59.302 180.000 120.698 0.755 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 59.302 90.000 30.698 0.209 0.400 2 ( 71 CB | 71 CA | 71 C | 71 O ) -121.152 -180.000 -58.848 0.181 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -121.152 -90.000 31.152 0.161 0.300 2 ( 71 CB | 71 CA | 71 C | 71 O ) -121.152 -180.000 -58.848 0.450 0.225 3 ( 73 CG | 73 CB | 73 CA | 73 N ) -146.553 -180.000 -33.447 2.359 2.000 3 ( 72 C | 73 N | 73 CA | 73 C ) -67.234 -180.000 -112.766 0.520 0.375 1 ( 72 C | 73 N | 73 CA | 73 C ) -67.234 -36.000 31.234 0.144 0.075 5 ( 72 C | 73 N | 73 CA | 73 CB ) 169.342 90.000 -79.342 0.773 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 169.342 135.000 -34.342 0.347 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -67.094 -180.000 -112.906 0.521 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -67.094 -36.000 31.094 0.143 0.075 5 ( 73 C | 74 N | 74 CA | 74 CB ) 170.449 90.000 -80.449 0.778 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) 170.449 135.000 -35.449 0.357 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 89.580 180.000 90.420 0.504 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 89.580 45.000 -44.580 0.400 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -90.442 -180.000 -89.558 0.372 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -90.442 -60.000 30.442 0.230 0.225 3 ( 73 CB | 73 CA | 73 C | 73 O ) -90.442 -135.000 -44.558 0.300 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -57.358 -180.000 -122.642 0.577 0.375 1 ( 74 C | 75 N | 75 CA | 75 C ) -57.358 -90.000 -32.642 0.175 0.300 2 ( 74 C | 75 N | 75 CA | 75 CB ) 179.871 90.000 -89.871 0.800 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) 179.871 135.000 -44.871 0.400 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 84.719 180.000 95.281 0.546 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 84.719 45.000 -39.719 0.387 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -95.804 -180.000 -84.196 0.337 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -95.804 -60.000 35.804 0.292 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -95.804 -135.000 -39.196 0.288 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -75.263 -180.000 -104.737 0.470 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -75.263 -45.000 30.263 0.227 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -75.263 -108.000 -32.737 0.147 0.075 5 ( 75 C | 76 N | 76 CA | 76 CB ) 161.436 90.000 -71.436 0.719 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 71.567 180.000 108.433 0.658 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 71.567 36.000 -35.567 0.200 0.100 5 ( 75 CB | 75 CA | 75 C | 75 O ) -108.928 -180.000 -71.072 0.253 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -108.928 -60.000 48.928 0.413 0.225 3 ( 76 C | 77 N | 77 CA | 77 C ) -60.206 -180.000 -119.794 0.561 0.375 1 ( 76 C | 77 N | 77 CA | 77 CB ) 176.986 90.000 -86.986 0.798 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 176.986 135.000 -41.986 0.396 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 96.600 180.000 83.400 0.443 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 96.600 60.000 -36.600 0.402 0.300 3 ( 76 CB | 76 CA | 76 C | 77 N ) 96.600 135.000 38.400 0.379 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -83.486 -180.000 -96.514 0.418 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -83.486 -45.000 38.486 0.285 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -59.021 -180.000 -120.979 0.568 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -59.021 -90.000 -30.979 0.159 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) 178.327 90.000 -88.327 0.799 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) 178.327 135.000 -43.327 0.399 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 82.615 180.000 97.385 0.564 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 82.615 45.000 -37.615 0.374 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -97.670 -180.000 -82.330 0.325 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -97.670 -60.000 37.670 0.313 0.225 3 ( 77 CB | 77 CA | 77 C | 77 O ) -97.670 -135.000 -37.330 0.279 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -80.702 -180.000 -99.298 0.436 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -80.702 -45.000 35.702 0.269 0.150 4 ( 78 C | 79 N | 79 CA | 79 CB ) 157.782 90.000 -67.782 0.686 0.400 2 ( 78 CB | 78 CA | 78 C | 79 N ) 91.627 180.000 88.373 0.486 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 91.627 60.000 -31.627 0.326 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 91.627 135.000 43.373 0.399 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -88.591 -180.000 -91.409 0.384 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -88.591 -45.000 43.591 0.299 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -122.655 -180.000 -57.345 0.173 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -122.655 -90.000 32.655 0.175 0.300 2 ( 79 C | 80 N | 80 CA | 80 C ) -122.655 -180.000 -57.345 0.448 0.225 3 ( 79 C | 80 N | 80 CA | 80 CB ) 114.996 180.000 65.004 0.289 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 114.996 60.000 -54.996 0.590 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 94.162 180.000 85.838 0.464 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 94.162 60.000 -34.162 0.365 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 94.162 135.000 40.838 0.392 0.200 4 ( 79 CB | 79 CA | 79 C | 79 O ) -86.291 -180.000 -93.709 0.399 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -86.291 -45.000 41.291 0.295 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -87.504 -180.000 -92.496 0.391 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -87.504 -45.000 42.504 0.298 0.150 4 ( 80 C | 81 N | 81 CA | 81 CB ) 149.964 180.000 30.036 0.067 0.500 1 ( 80 C | 81 N | 81 CA | 81 CB ) 149.964 90.000 -59.964 0.600 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 149.964 180.000 30.036 0.301 0.300 3 ( 80 C | 81 N | 81 CA | 81 CB ) 149.964 180.000 30.036 0.187 0.100 5 ( 80 CB | 80 CA | 80 C | 81 N ) 163.059 90.000 -73.059 0.732 0.400 2 ( 80 CB | 80 CA | 80 C | 80 O ) -17.989 -180.000 -162.011 0.732 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -17.989 -90.000 -72.011 0.543 0.300 2 ( 80 CB | 80 CA | 80 C | 80 O ) -17.989 -60.000 -42.011 0.357 0.225 3 ( 81 C | 82 N | 82 CA | 82 C ) -75.150 -180.000 -104.850 0.471 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) -75.150 -45.000 30.150 0.226 0.150 4 ( 81 C | 82 N | 82 CA | 82 C ) -75.150 -108.000 -32.850 0.147 0.075 5 ( 81 C | 82 N | 82 CA | 82 CB ) 162.582 90.000 -72.582 0.728 0.400 2 ( 81 CB | 81 CA | 81 C | 82 N ) 88.794 180.000 91.206 0.511 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) 88.794 45.000 -43.794 0.399 0.200 4 ( 81 CB | 81 CA | 81 C | 81 O ) -91.963 -180.000 -88.037 0.362 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) -91.963 -60.000 31.963 0.248 0.225 3 ( 81 CB | 81 CA | 81 C | 81 O ) -91.963 -135.000 -43.037 0.299 0.150 4 ( 82 C | 83 N | 83 CA | 83 C ) -151.336 -90.000 61.336 0.462 0.300 2 ( 82 C | 83 N | 83 CA | 83 CB ) 85.156 180.000 94.844 0.542 0.500 1 ( 82 C | 83 N | 83 CA | 83 CB ) 85.156 45.000 -40.156 0.389 0.200 4 ( 82 CB | 82 CA | 82 C | 83 N ) -153.730 -90.000 63.730 0.643 0.400 2 ( 82 CB | 82 CA | 82 C | 82 O ) 27.215 180.000 152.785 0.708 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 27.215 90.000 62.785 0.475 0.300 2 ( 82 CB | 82 CA | 82 C | 82 O ) 27.215 60.000 32.785 0.258 0.225 3 ( 84 CZ | 84 NE | 84 CD | 84 CG ) 94.506 180.000 85.494 1.843 2.000 1 ( 83 C | 84 N | 84 CA | 84 C ) 56.939 180.000 123.061 0.580 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) 56.939 90.000 33.061 0.179 0.300 2 ( 83 C | 84 N | 84 CA | 84 CB ) -67.290 -180.000 -112.710 0.693 0.500 1 ( 83 C | 84 N | 84 CA | 84 CB ) -67.290 -36.000 31.290 0.192 0.100 5 ( 83 CB | 83 CA | 83 C | 84 N ) -80.137 -180.000 -99.863 0.586 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -80.137 -45.000 35.137 0.354 0.200 4 ( 83 CB | 83 CA | 83 C | 83 O ) 100.673 180.000 79.327 0.306 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 100.673 60.000 -40.673 0.344 0.225 3 ( 83 CB | 83 CA | 83 C | 83 O ) 100.673 135.000 34.327 0.260 0.150 4 ( 84 C | 85 N | 85 CA | 85 C ) -107.843 -180.000 -72.157 0.260 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -107.843 -60.000 47.843 0.406 0.225 3 ( 84 C | 85 N | 85 CA | 85 CB ) 129.440 180.000 50.560 0.182 0.500 1 ( 84 C | 85 N | 85 CA | 85 CB ) 129.440 90.000 -39.440 0.323 0.400 2 ( 84 C | 85 N | 85 CA | 85 CB ) 129.440 180.000 50.560 0.564 0.300 3 ( 84 CB | 84 CA | 84 C | 85 N ) 145.581 180.000 34.419 0.088 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) 145.581 90.000 -55.581 0.544 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) 145.581 180.000 34.419 0.369 0.300 3 ( 84 CB | 84 CA | 84 C | 85 N ) 145.581 180.000 34.419 0.199 0.100 5 ( 84 CB | 84 CA | 84 C | 84 O ) -35.636 -180.000 -144.364 0.680 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) -35.636 -90.000 -54.364 0.396 0.300 2 ( 85 C | 86 N | 86 CA | 86 C ) -83.175 -180.000 -96.825 0.420 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -83.175 -45.000 38.175 0.283 0.150 4 ( 85 C | 86 N | 86 CA | 86 CB ) 154.504 90.000 -64.504 0.652 0.400 2 ( 85 CB | 85 CA | 85 C | 86 N ) -130.421 -180.000 -49.579 0.176 0.500 1 ( 85 CB | 85 CA | 85 C | 86 N ) -130.421 -90.000 40.421 0.336 0.400 2 ( 85 CB | 85 CA | 85 C | 86 N ) -130.421 -180.000 -49.579 0.556 0.300 3 ( 85 CB | 85 CA | 85 C | 85 O ) 50.290 180.000 129.710 0.615 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 50.290 90.000 39.710 0.245 0.300 2 ( 86 C | 87 N | 87 CA | 87 C ) -57.962 -180.000 -122.038 0.574 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -57.962 -90.000 -32.038 0.169 0.300 2 ( 86 C | 87 N | 87 CA | 87 CB ) 179.825 90.000 -89.825 0.800 0.400 2 ( 86 C | 87 N | 87 CA | 87 CB ) 179.825 135.000 -44.825 0.400 0.200 4 ( 86 CB | 86 CA | 86 C | 87 N ) -40.637 -180.000 -139.363 0.879 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -40.637 -90.000 -49.363 0.461 0.400 2 ( 86 CB | 86 CA | 86 C | 86 O ) 140.358 180.000 39.642 0.086 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 140.358 90.000 -50.358 0.356 0.300 2 ( 86 CB | 86 CA | 86 C | 86 O ) 140.358 180.000 39.642 0.334 0.225 3 ( 86 CB | 86 CA | 86 C | 86 O ) 140.358 108.000 -32.358 0.146 0.075 5 ( 87 C | 88 N | 88 CA | 88 C ) -71.302 -180.000 -108.698 0.495 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -71.302 -36.000 35.302 0.150 0.075 5 ( 87 C | 88 N | 88 CA | 88 CB ) 166.451 90.000 -76.451 0.756 0.400 2 ( 87 C | 88 N | 88 CA | 88 CB ) 166.451 135.000 -31.451 0.317 0.200 4 ( 87 CB | 87 CA | 87 C | 88 N ) -96.335 -180.000 -83.665 0.445 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -96.335 -60.000 36.335 0.398 0.300 3 ( 87 CB | 87 CA | 87 C | 88 N ) -96.335 -135.000 -38.665 0.381 0.200 4 ( 87 CB | 87 CA | 87 C | 87 O ) 83.387 180.000 96.613 0.418 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 83.387 45.000 -38.387 0.284 0.150 4 ( 88 C | 89 N | 89 CA | 89 C ) -71.821 -180.000 -108.179 0.492 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -71.821 -36.000 35.821 0.150 0.075 5 ( 88 C | 89 N | 89 CA | 89 CB ) 166.386 90.000 -76.386 0.756 0.400 2 ( 88 C | 89 N | 89 CA | 89 CB ) 166.386 135.000 -31.386 0.316 0.200 4 ( 88 CB | 88 CA | 88 C | 89 N ) -131.361 -180.000 -48.639 0.170 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -131.361 -90.000 41.361 0.349 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) -131.361 -180.000 -48.639 0.548 0.300 3 ( 88 CB | 88 CA | 88 C | 88 O ) 49.325 180.000 130.675 0.619 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 49.325 90.000 40.675 0.255 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -69.869 -180.000 -110.131 0.504 0.375 1 ( 89 C | 90 N | 90 CA | 90 C ) -69.869 -36.000 33.869 0.149 0.075 5 ( 89 C | 90 N | 90 CA | 90 CB ) 167.809 90.000 -77.809 0.764 0.400 2 ( 89 C | 90 N | 90 CA | 90 CB ) 167.809 135.000 -32.809 0.332 0.200 4 ( 89 CB | 89 CA | 89 C | 90 N ) -52.165 -180.000 -127.835 0.807 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -52.165 -90.000 -37.835 0.301 0.400 2 ( 89 CB | 89 CA | 89 C | 89 O ) 128.263 180.000 51.737 0.143 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 128.263 90.000 -38.263 0.230 0.300 2 ( 89 CB | 89 CA | 89 C | 89 O ) 128.263 180.000 51.737 0.429 0.225 3 ( 90 C | 91 N | 91 CA | 91 C ) -49.412 -180.000 -130.588 0.619 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) -49.412 -90.000 -40.588 0.254 0.300 2 ( 90 C | 91 N | 91 CA | 91 CB ) -171.912 -90.000 81.912 0.784 0.400 2 ( 90 C | 91 N | 91 CA | 91 CB ) -171.912 -135.000 36.912 0.369 0.200 4 ( 90 CB | 90 CA | 90 C | 91 N ) -137.110 -180.000 -42.890 0.134 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -137.110 -90.000 47.110 0.429 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -137.110 -180.000 -42.890 0.487 0.300 3 ( 90 CB | 90 CA | 90 C | 90 O ) 43.723 180.000 136.277 0.646 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 43.723 90.000 46.277 0.313 0.300 2 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: -1488.88, 84.0284, 99.7134, 41.9524, 427.93, -273.276, -1869.59, 0.334331, 2.389395E-02, $coup, $sani, $vean