%atoms " -83 -LYS -HB2 " and " -83 -LYS -HZ1 " only 1.46 A apart NBONDS: found 118854 intra-atom interactions NBONDS: found 1 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 187 ========== set-i-atoms 26 ARG HN set-j-atoms 26 ARG HG1 R= 4.472 NOE= 3.87 (- 2.07/+ 0.58) Delta= -0.022 E(NOE)= 0.023 ========== spectrum 1 restraint 378 ========== set-i-atoms 39 LYS HA set-j-atoms 43 LEU HN R= 4.633 NOE= 4.01 (- 2.21/+ 0.60) Delta= -0.023 E(NOE)= 0.026 ========== spectrum 1 restraint 556 ========== set-i-atoms 31 MET HE1 31 MET HE2 31 MET HE3 set-j-atoms 62 LEU HN R= 5.932 NOE= 5.10 (- 3.30/+ 0.77) Delta= -0.062 E(NOE)= 0.195 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.121 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.041 E(NOE)= 0.085 ========== spectrum 1 restraint 869 ========== set-i-atoms 31 MET HG1 set-j-atoms 64 LEU HD21 64 LEU HD22 64 LEU HD23 R= 1.773 NOE= 3.83 (- 2.03/+ 0.57) Delta= 0.027 E(NOE)= 0.035 ========== spectrum 1 restraint 991 ========== set-i-atoms 45 VAL HG11 45 VAL HG12 45 VAL HG13 set-j-atoms 49 ASN HD21 R= 4.780 NOE= 4.14 (- 2.34/+ 0.62) Delta= -0.020 E(NOE)= 0.019 ========== spectrum 1 restraint 1133 ========== set-i-atoms 41 VAL HG21 41 VAL HG22 41 VAL HG23 set-j-atoms 69 ARG HA R= 1.781 NOE= 3.55 (- 1.75/+ 0.53) Delta= 0.019 E(NOE)= 0.019 ========== spectrum 1 restraint 1146 ========== set-i-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 set-j-atoms 37 THR HG21 37 THR HG22 37 THR HG23 R= 5.795 NOE= 5.02 (- 3.22/+ 0.75) Delta= -0.025 E(NOE)= 0.032 ========== spectrum 1 restraint 1264 ========== set-i-atoms 31 MET HE1 31 MET HE2 31 MET HE3 set-j-atoms 64 LEU HN R= 5.057 NOE= 4.37 (- 2.57/+ 0.66) Delta= -0.027 E(NOE)= 0.036 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.529 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.029 E(NOE)= 0.042 ========== spectrum 1 restraint 1470 ========== set-i-atoms 51 LEU HD21 51 LEU HD22 51 LEU HD23 set-j-atoms 54 ARG HD1 R= 7.501 NOE= 6.50 (- 4.70/+ 0.98) Delta= -0.021 E(NOE)= 0.021 ========== spectrum 1 restraint 1613 ========== set-i-atoms 35 PHE HE1 35 PHE HE2 set-j-atoms 40 ILE HG12 R= 1.781 NOE= 3.22 (- 1.42/+ 0.48) Delta= 0.019 E(NOE)= 0.017 ========== spectrum 1 restraint 1738 ========== set-i-atoms 26 ARG HN set-j-atoms 26 ARG HG1 26 ARG HG2 R= 3.775 NOE= 3.27 (- 1.47/+ 0.49) Delta= -0.015 E(NOE)= 0.012 ========== spectrum 1 restraint 1814 ========== set-i-atoms 39 LYS HE1 39 LYS HE2 set-j-atoms 43 LEU HD21 43 LEU HD22 43 LEU HD23 R= 4.993 NOE= 4.32 (- 2.52/+ 0.65) Delta= -0.023 E(NOE)= 0.028 ========== spectrum 1 restraint 1822 ========== set-i-atoms 41 VAL HA set-j-atoms 73 LYS HE1 73 LYS HE2 R= 5.969 NOE= 5.18 (- 3.38/+ 0.78) Delta= -0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 1973 ========== set-i-atoms 73 LYS HG1 73 LYS HG2 set-j-atoms 76 VAL HB R= 6.847 NOE= 5.94 (- 4.14/+ 0.89) Delta= -0.017 E(NOE)= 0.015 ========== spectrum 1 restraint 2036 ========== set-i-atoms 86 LEU HN set-j-atoms 86 LEU HD11 86 LEU HD12 86 LEU HD13 86 LEU HD21 86 LEU HD22 86 LEU HD23 R= 1.779 NOE= 5.04 (- 3.24/+ 0.76) Delta= 0.021 E(NOE)= 0.022 NOEPRI: RMS diff. = 0.002, #(violat.> 0.0)= 17 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.002, #(viol.> 0.0)= 17 of 2047 NOEs (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 ( 23 CA | 23 C | 24 N | 24 CA ) 172.690 180.000 7.310 1.628 100.000 0 ( 24 CA | 24 C | 25 N | 25 CA ) 173.625 180.000 6.375 1.238 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 173.011 180.000 6.989 1.488 100.000 0 ( 41 CA | 41 C | 42 N | 42 CA ) -172.522 180.000 -7.478 1.704 100.000 0 ( 42 CA | 42 C | 43 N | 43 CA ) 170.780 180.000 9.220 2.589 100.000 0 ( 43 CA | 43 C | 44 N | 44 CA ) 172.848 180.000 7.152 1.558 100.000 0 ( 44 CA | 44 C | 45 N | 45 CA ) -174.210 180.000 -5.790 1.021 100.000 0 ( 47 CA | 47 C | 48 N | 48 CA ) 173.222 180.000 6.778 1.399 100.000 0 ( 48 CA | 48 C | 49 N | 49 CA ) 174.163 180.000 5.837 1.038 100.000 0 ( 49 CA | 49 C | 50 N | 50 CA ) 172.872 180.000 7.128 1.548 100.000 0 ( 57 CA | 57 C | 58 N | 58 CA ) 173.934 180.000 6.066 1.121 100.000 0 ( 68 CA | 68 C | 69 N | 69 CA ) 173.741 180.000 6.259 1.193 100.000 0 ( 82 CA | 82 C | 83 N | 83 CA ) -172.758 180.000 -7.242 1.598 100.000 0 ( 83 CA | 83 C | 84 N | 84 CA ) 169.626 180.000 10.374 3.278 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) -85.597 -180.000 -94.403 0.404 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) -85.597 -45.000 40.597 0.293 0.150 4 ( 1 CB | 1 CA | 1 C | 2 N ) -112.190 -180.000 -67.810 0.311 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -112.190 -60.000 52.190 0.575 0.300 3 ( 1 CB | 1 CA | 1 C | 1 O ) 67.940 180.000 112.060 0.516 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 67.940 36.000 -31.940 0.145 0.075 5 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 77.985 180.000 102.015 0.725 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -121.650 -180.000 -58.350 0.178 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -121.650 -90.000 31.650 0.165 0.300 2 ( 2 C | 3 N | 3 CA | 3 C ) -121.650 -180.000 -58.350 0.449 0.225 3 ( 2 C | 3 N | 3 CA | 3 CB ) 115.587 180.000 64.413 0.284 0.500 1 ( 2 C | 3 N | 3 CA | 3 CB ) 115.587 60.000 -55.587 0.592 0.300 3 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) -92.546 -180.000 -87.454 0.573 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) 66.014 180.000 113.986 0.527 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) 66.014 36.000 -30.014 0.140 0.075 5 ( 3 C | 4 N | 4 CA | 4 CB ) -57.982 -180.000 -122.018 0.765 0.500 1 ( 3 C | 4 N | 4 CA | 4 CB ) -57.982 -90.000 -32.018 0.225 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -120.379 -180.000 -59.621 0.247 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -120.379 -90.000 30.379 0.205 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -120.379 -180.000 -59.621 0.600 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) 59.660 180.000 120.340 0.564 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) 59.660 90.000 30.340 0.153 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) -104.243 -180.000 -75.757 0.452 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -84.332 -180.000 -95.668 0.412 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -84.332 -45.000 39.332 0.288 0.150 4 ( 4 C | 5 N | 5 CA | 5 CB ) 152.888 90.000 -62.888 0.634 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) 127.397 180.000 52.603 0.196 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) 127.397 90.000 -37.397 0.295 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) 127.397 180.000 52.603 0.578 0.300 3 ( 4 CB | 4 CA | 4 C | 4 O ) -53.633 -180.000 -126.367 0.597 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) -53.633 -90.000 -36.367 0.211 0.300 2 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -94.255 -180.000 -85.745 0.555 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -153.089 -90.000 63.089 0.477 0.300 2 ( 5 C | 6 N | 6 CA | 6 CB ) 84.425 180.000 95.575 0.549 0.500 1 ( 5 C | 6 N | 6 CA | 6 CB ) 84.425 45.000 -39.425 0.385 0.200 4 ( 5 CB | 5 CA | 5 C | 6 N ) -122.486 -180.000 -57.514 0.231 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -122.486 -90.000 32.486 0.231 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) -122.486 -180.000 -57.514 0.597 0.300 3 ( 5 CB | 5 CA | 5 C | 5 O ) 56.953 180.000 123.047 0.579 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 56.953 90.000 33.047 0.178 0.300 2 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) -93.941 -180.000 -86.059 0.559 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -75.801 -180.000 -104.199 0.467 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) -75.801 -45.000 30.801 0.232 0.150 4 ( 6 C | 7 N | 7 CA | 7 C ) -75.801 -108.000 -32.199 0.146 0.075 5 ( 6 C | 7 N | 7 CA | 7 CB ) 160.938 90.000 -70.938 0.715 0.400 2 ( 6 CB | 6 CA | 6 C | 7 N ) -69.689 -180.000 -110.311 0.674 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -69.689 -36.000 33.689 0.198 0.100 5 ( 6 CB | 6 CA | 6 C | 6 O ) 109.206 180.000 70.794 0.252 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) 109.206 60.000 -49.206 0.415 0.225 3 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) -86.074 -180.000 -93.926 0.641 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -141.101 -180.000 -38.899 0.083 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -141.101 -90.000 51.101 0.363 0.300 2 ( 7 C | 8 N | 8 CA | 8 C ) -141.101 -180.000 -38.899 0.326 0.225 3 ( 7 C | 8 N | 8 CA | 8 C ) -141.101 -108.000 33.101 0.148 0.075 5 ( 7 C | 8 N | 8 CA | 8 CB ) 96.284 180.000 83.716 0.445 0.500 1 ( 7 C | 8 N | 8 CA | 8 CB ) 96.284 60.000 -36.284 0.397 0.300 3 ( 7 C | 8 N | 8 CA | 8 CB ) 96.284 135.000 38.716 0.381 0.200 4 ( 7 CB | 7 CA | 7 C | 8 N ) -101.354 -180.000 -78.646 0.402 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) -101.354 -60.000 41.354 0.468 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -101.354 -135.000 -33.646 0.340 0.200 4 ( 7 CB | 7 CA | 7 C | 7 O ) 78.248 180.000 101.752 0.451 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) 78.248 45.000 -33.248 0.252 0.150 4 ( 8 C | 9 N | 9 CA | 9 C ) -150.519 -90.000 60.519 0.455 0.300 2 ( 8 C | 9 N | 9 CA | 9 CB ) 87.138 180.000 92.862 0.525 0.500 1 ( 8 C | 9 N | 9 CA | 9 CB ) 87.138 45.000 -42.138 0.396 0.200 4 ( 8 CB | 8 CA | 8 C | 9 N ) -103.506 -180.000 -76.494 0.383 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -103.506 -60.000 43.506 0.495 0.300 3 ( 8 CB | 8 CA | 8 C | 9 N ) -103.506 -135.000 -31.494 0.317 0.200 4 ( 8 CB | 8 CA | 8 C | 8 O ) 76.104 180.000 103.896 0.465 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 76.104 45.000 -31.104 0.235 0.150 4 ( 8 CB | 8 CA | 8 C | 8 O ) 76.104 108.000 31.896 0.145 0.075 5 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) 98.461 180.000 81.539 0.512 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -120.562 -180.000 -59.438 0.184 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -120.562 -90.000 30.562 0.155 0.300 2 ( 9 C | 10 N | 10 CA | 10 C ) -120.562 -180.000 -59.438 0.450 0.225 3 ( 9 C | 10 N | 10 CA | 10 CB ) 117.998 180.000 62.002 0.265 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 117.998 60.000 -57.998 0.598 0.300 3 ( 9 CB | 9 CA | 9 C | 10 N ) -58.994 -180.000 -121.006 0.758 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -58.994 -90.000 -31.006 0.212 0.400 2 ( 9 CB | 9 CA | 9 C | 9 O ) 121.728 180.000 58.272 0.178 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 121.728 90.000 -31.728 0.166 0.300 2 ( 9 CB | 9 CA | 9 C | 9 O ) 121.728 180.000 58.272 0.449 0.225 3 ( 10 C | 11 N | 11 CA | 11 C ) -152.417 -90.000 62.417 0.471 0.300 2 ( 10 C | 11 N | 11 CA | 11 CB ) 84.092 180.000 95.908 0.551 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 84.092 45.000 -39.092 0.383 0.200 4 ( 10 CB | 10 CA | 10 C | 11 N ) -107.869 -180.000 -72.131 0.347 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) -107.869 -60.000 47.869 0.541 0.300 3 ( 10 CB | 10 CA | 10 C | 10 O ) 71.330 180.000 108.670 0.495 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) 71.330 36.000 -35.330 0.150 0.075 5 ( 11 C | 12 N | 12 CA | 12 C ) -156.925 -90.000 66.925 0.508 0.300 2 ( 11 C | 12 N | 12 CA | 12 CB ) 80.036 180.000 99.964 0.587 0.500 1 ( 11 C | 12 N | 12 CA | 12 CB ) 80.036 45.000 -35.036 0.354 0.200 4 ( 11 CB | 11 CA | 11 C | 12 N ) -70.680 -180.000 -109.320 0.665 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -70.680 -36.000 34.680 0.199 0.100 5 ( 11 CB | 11 CA | 11 C | 11 O ) 109.827 180.000 70.173 0.248 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 109.827 60.000 -49.827 0.419 0.225 3 ( 12 C | 13 N | 13 CA | 13 C ) -91.754 -180.000 -88.246 0.364 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -91.754 -60.000 31.754 0.246 0.225 3 ( 12 C | 13 N | 13 CA | 13 C ) -91.754 -135.000 -43.246 0.299 0.150 4 ( 12 C | 13 N | 13 CA | 13 CB ) 146.667 180.000 33.333 0.082 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) 146.667 90.000 -56.667 0.558 0.400 2 ( 12 C | 13 N | 13 CA | 13 CB ) 146.667 180.000 33.333 0.352 0.300 3 ( 12 C | 13 N | 13 CA | 13 CB ) 146.667 180.000 33.333 0.197 0.100 5 ( 12 CB | 12 CA | 12 C | 13 N ) -79.906 -180.000 -100.094 0.588 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -79.906 -45.000 34.906 0.352 0.200 4 ( 12 CB | 12 CA | 12 C | 12 O ) 99.691 180.000 80.309 0.312 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) 99.691 60.000 -39.691 0.334 0.225 3 ( 12 CB | 12 CA | 12 C | 12 O ) 99.691 135.000 35.309 0.267 0.150 4 ( 13 CB | 13 CA | 13 C | 14 N ) -94.938 -180.000 -85.062 0.457 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -94.938 -60.000 34.938 0.377 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -94.938 -135.000 -40.062 0.388 0.200 4 ( 13 CB | 13 CA | 13 C | 13 O ) 85.139 180.000 94.861 0.407 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 85.139 45.000 -40.139 0.291 0.150 4 ( 14 C | 15 N | 15 CA | 15 C ) -111.383 -180.000 -68.617 0.238 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -111.383 -60.000 51.383 0.427 0.225 3 ( 14 C | 15 N | 15 CA | 15 CB ) 126.493 180.000 53.507 0.203 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 126.493 90.000 -36.493 0.283 0.400 2 ( 14 C | 15 N | 15 CA | 15 CB ) 126.493 180.000 53.507 0.583 0.300 3 ( 14 CB | 14 CA | 14 C | 15 N ) -135.971 -180.000 -44.029 0.141 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -135.971 -90.000 45.971 0.414 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -135.971 -180.000 -44.029 0.501 0.300 3 ( 14 CB | 14 CA | 14 C | 14 O ) 45.054 180.000 134.946 0.640 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 45.054 90.000 44.946 0.299 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -145.323 -180.000 -34.677 0.067 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -145.323 -90.000 55.323 0.406 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -145.323 -180.000 -34.677 0.280 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -145.323 -180.000 -34.677 0.150 0.075 5 ( 15 C | 16 N | 16 CA | 16 CB ) 91.413 180.000 88.587 0.488 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 91.413 60.000 -31.413 0.322 0.300 3 ( 15 C | 16 N | 16 CA | 16 CB ) 91.413 135.000 43.587 0.399 0.200 4 ( 15 CB | 15 CA | 15 C | 16 N ) -63.631 -180.000 -116.369 0.722 0.500 1 ( 15 CB | 15 CA | 15 C | 15 O ) 115.942 180.000 64.058 0.211 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) 115.942 60.000 -55.942 0.445 0.225 3 ( 16 C | 17 N | 17 CA | 17 C ) -65.451 -180.000 -114.549 0.531 0.375 1 ( 16 C | 17 N | 17 CA | 17 CB ) 171.916 90.000 -81.916 0.784 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 171.916 135.000 -36.916 0.369 0.200 4 ( 16 CB | 16 CA | 16 C | 17 N ) -60.257 -180.000 -119.743 0.748 0.500 1 ( 16 CB | 16 CA | 16 C | 16 O ) 119.704 180.000 60.296 0.189 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 119.704 60.000 -59.704 0.450 0.225 3 ( 17 C | 18 N | 18 CA | 18 C ) -133.553 -180.000 -46.447 0.117 0.375 1 ( 17 C | 18 N | 18 CA | 18 C ) -133.553 -90.000 43.553 0.285 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) -133.553 -180.000 -46.447 0.396 0.225 3 ( 17 CB | 17 CA | 17 C | 18 N ) -96.222 -180.000 -83.778 0.446 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -96.222 -60.000 36.222 0.396 0.300 3 ( 17 CB | 17 CA | 17 C | 18 N ) -96.222 -135.000 -38.778 0.381 0.200 4 ( 17 CB | 17 CA | 17 C | 17 O ) 83.690 180.000 96.310 0.416 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 83.690 45.000 -38.690 0.286 0.150 4 ( 18 C | 19 N | 19 CA | 19 C ) -82.714 -180.000 -97.286 0.423 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -82.714 -45.000 37.714 0.281 0.150 4 ( 18 C | 19 N | 19 CA | 19 CB ) 154.124 90.000 -64.124 0.648 0.400 2 ( 19 C | 20 N | 20 CA | 20 C ) -146.551 -180.000 -33.449 0.062 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -146.551 -90.000 56.551 0.418 0.300 2 ( 19 C | 20 N | 20 CA | 20 C ) -146.551 -180.000 -33.449 0.265 0.225 3 ( 19 C | 20 N | 20 CA | 20 C ) -146.551 -180.000 -33.449 0.148 0.075 5 ( 19 C | 20 N | 20 CA | 20 CB ) 90.457 180.000 89.543 0.496 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 90.457 60.000 -30.457 0.307 0.300 3 ( 19 C | 20 N | 20 CA | 20 CB ) 90.457 135.000 44.543 0.400 0.200 4 ( 19 CB | 19 CA | 19 C | 20 N ) -47.223 -180.000 -132.777 0.840 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -47.223 -90.000 -42.777 0.369 0.400 2 ( 19 CB | 19 CA | 19 C | 19 O ) 132.960 180.000 47.040 0.119 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 132.960 90.000 -42.960 0.279 0.300 2 ( 19 CB | 19 CA | 19 C | 19 O ) 132.960 180.000 47.040 0.400 0.225 3 ( 20 C | 21 N | 21 CA | 21 C ) 169.996 90.000 -79.996 0.582 0.300 2 ( 20 C | 21 N | 21 CA | 21 C ) 169.996 135.000 -34.996 0.265 0.150 4 ( 20 CB | 20 CA | 20 C | 21 N ) -68.661 -180.000 -111.339 0.682 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) -68.661 -36.000 32.661 0.196 0.100 5 ( 20 CB | 20 CA | 20 C | 20 O ) 110.183 180.000 69.817 0.246 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 110.183 60.000 -50.183 0.421 0.225 3 ( 21 C | 22 N | 22 CA | 22 C ) -78.277 -180.000 -101.723 0.451 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -78.277 -45.000 33.277 0.253 0.150 4 ( 21 C | 22 N | 22 CA | 22 CB ) 159.747 90.000 -69.747 0.704 0.400 2 ( 23 CZ | 23 NE | 23 CD | 23 CG ) 132.638 180.000 47.362 0.645 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -58.998 -180.000 -121.002 0.568 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -58.998 -90.000 -31.002 0.159 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) 176.787 90.000 -86.787 0.797 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) 176.787 135.000 -41.787 0.395 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -103.212 -180.000 -76.788 0.386 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -103.212 -60.000 43.212 0.491 0.300 3 ( 22 CB | 22 CA | 22 C | 23 N ) -103.212 -135.000 -31.788 0.321 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 76.672 180.000 103.328 0.461 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 76.672 45.000 -31.672 0.240 0.150 4 ( 22 CB | 22 CA | 22 C | 22 O ) 76.672 108.000 31.328 0.144 0.075 5 ( 23 C | 24 N | 24 CA | 24 C ) -64.897 -180.000 -115.103 0.534 0.375 1 ( 23 C | 24 N | 24 CA | 24 CB ) 171.876 90.000 -81.876 0.784 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 171.876 135.000 -36.876 0.369 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 92.881 180.000 87.119 0.475 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 92.881 60.000 -32.881 0.345 0.300 3 ( 23 CB | 23 CA | 23 C | 24 N ) 92.881 135.000 42.119 0.396 0.200 4 ( 23 CB | 23 CA | 23 C | 23 O ) -87.677 -180.000 -92.323 0.390 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -87.677 -45.000 42.677 0.298 0.150 4 ( 25 OE1 | 25 CD | 25 CG | 25 CB ) -56.378 -90.000 -33.622 0.613 1.000 2 ( 24 C | 25 N | 25 CA | 25 C ) -54.977 -180.000 -125.023 0.590 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -54.977 -90.000 -35.023 0.198 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -176.729 -90.000 86.729 0.797 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -176.729 -135.000 41.729 0.395 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 71.720 180.000 108.280 0.657 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 71.720 36.000 -35.720 0.200 0.100 5 ( 24 CB | 24 CA | 24 C | 24 O ) -108.575 -180.000 -71.425 0.256 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -108.575 -60.000 48.575 0.411 0.225 3 ( 26 CG | 26 CB | 26 CA | 26 N ) -144.212 -180.000 -35.788 2.597 2.000 3 ( 25 C | 26 N | 26 CA | 26 C ) -60.194 -180.000 -119.806 0.561 0.375 1 ( 25 C | 26 N | 26 CA | 26 CB ) 176.608 90.000 -86.608 0.797 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 176.608 135.000 -41.608 0.394 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 83.242 180.000 96.758 0.559 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 83.242 45.000 -38.242 0.378 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -97.263 -180.000 -82.737 0.328 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -97.263 -60.000 37.263 0.309 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -97.263 -135.000 -37.737 0.281 0.150 4 ( 26 C | 27 N | 27 CA | 27 C ) -58.160 -180.000 -121.840 0.573 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -58.160 -90.000 -31.840 0.167 0.300 2 ( 26 C | 27 N | 27 CA | 27 CB ) -179.046 -90.000 89.046 0.800 0.400 2 ( 26 C | 27 N | 27 CA | 27 CB ) -179.046 -135.000 44.046 0.400 0.200 4 ( 26 CB | 26 CA | 26 C | 27 N ) 82.673 180.000 97.327 0.564 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 82.673 45.000 -37.673 0.374 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -97.917 -180.000 -82.083 0.323 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -97.917 -60.000 37.917 0.316 0.225 3 ( 26 CB | 26 CA | 26 C | 26 O ) -97.917 -135.000 -37.083 0.278 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -57.460 -180.000 -122.540 0.577 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -57.460 -90.000 -32.540 0.174 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.184 90.000 -89.184 0.800 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.184 135.000 -44.184 0.400 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 75.147 180.000 104.853 0.628 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 75.147 45.000 -30.147 0.302 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 75.147 108.000 32.853 0.196 0.100 5 ( 27 CB | 27 CA | 27 C | 27 O ) -105.192 -180.000 -74.808 0.277 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -105.192 -60.000 45.192 0.386 0.225 3 ( 28 C | 29 N | 29 CA | 29 C ) -69.557 -180.000 -110.443 0.506 0.375 1 ( 28 C | 29 N | 29 CA | 29 C ) -69.557 -36.000 33.557 0.148 0.075 5 ( 28 C | 29 N | 29 CA | 29 CB ) 165.363 90.000 -75.363 0.749 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 165.363 135.000 -30.363 0.304 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 68.915 180.000 111.085 0.680 0.500 1 ( 28 CB | 28 CA | 28 C | 29 N ) 68.915 36.000 -32.915 0.196 0.100 5 ( 28 CB | 28 CA | 28 C | 28 O ) -111.997 -180.000 -68.003 0.235 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -111.997 -60.000 51.997 0.431 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -71.595 -180.000 -108.405 0.493 0.375 1 ( 29 C | 30 N | 30 CA | 30 C ) -71.595 -36.000 35.595 0.150 0.075 5 ( 29 C | 30 N | 30 CA | 30 CB ) 165.229 90.000 -75.229 0.748 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 165.229 135.000 -30.229 0.303 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 97.019 180.000 82.981 0.439 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 97.019 60.000 -37.019 0.408 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 97.019 135.000 37.981 0.376 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -83.876 -180.000 -96.124 0.415 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -83.876 -45.000 38.876 0.286 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -99.549 -180.000 -80.451 0.313 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -99.549 -60.000 39.549 0.333 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -99.549 -135.000 -35.451 0.268 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 138.303 180.000 41.697 0.127 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 138.303 90.000 -48.303 0.446 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 138.303 180.000 41.697 0.472 0.300 3 ( 30 C | 31 N | 31 CA | 31 CB ) 138.303 108.000 -30.303 0.188 0.100 5 ( 30 CB | 30 CA | 30 C | 31 N ) 85.327 180.000 94.673 0.541 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 85.327 45.000 -40.327 0.389 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -94.341 -180.000 -85.659 0.347 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -94.341 -60.000 34.341 0.276 0.225 3 ( 30 CB | 30 CA | 30 C | 30 O ) -94.341 -135.000 -40.659 0.293 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 56.711 180.000 123.289 0.581 0.375 1 ( 31 C | 32 N | 32 CA | 32 C ) 56.711 90.000 33.289 0.181 0.300 2 ( 31 C | 32 N | 32 CA | 32 CB ) -68.179 -180.000 -111.821 0.686 0.500 1 ( 31 C | 32 N | 32 CA | 32 CB ) -68.179 -36.000 32.179 0.194 0.100 5 ( 31 CB | 31 CA | 31 C | 32 N ) 128.186 180.000 51.814 0.191 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 128.186 90.000 -38.186 0.306 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 128.186 180.000 51.814 0.573 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -52.414 -180.000 -127.586 0.604 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -52.414 -90.000 -37.586 0.223 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -103.920 -180.000 -76.080 0.285 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -103.920 -60.000 43.920 0.375 0.225 3 ( 32 C | 33 N | 33 CA | 33 C ) -103.920 -135.000 -31.080 0.235 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 134.080 180.000 45.920 0.152 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 134.080 90.000 -44.080 0.387 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 134.080 180.000 45.920 0.522 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -160.332 -90.000 70.332 0.709 0.400 2 ( 32 CB | 32 CA | 32 C | 32 O ) 20.530 180.000 159.470 0.726 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 20.530 90.000 69.470 0.526 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) 20.530 60.000 39.470 0.332 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -119.078 -180.000 -60.922 0.257 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -119.078 -60.000 59.078 0.600 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 60.384 180.000 119.616 0.560 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -157.315 -90.000 67.315 0.511 0.300 2 ( 34 C | 35 N | 35 CA | 35 CB ) 78.528 180.000 101.472 0.599 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 78.528 45.000 -33.528 0.339 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 140.181 180.000 39.819 0.116 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 140.181 90.000 -50.181 0.472 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 140.181 180.000 39.819 0.448 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 140.181 108.000 -32.181 0.194 0.100 5 ( 34 CB | 34 CA | 34 C | 34 O ) -40.772 -180.000 -139.228 0.659 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -40.772 -90.000 -49.228 0.344 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -92.401 -180.000 -87.599 0.479 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -92.401 -60.000 32.401 0.338 0.300 3 ( 35 CB | 35 CA | 35 C | 36 N ) -92.401 -135.000 -42.599 0.397 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 87.707 180.000 92.293 0.390 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 87.707 45.000 -42.707 0.298 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -63.722 -180.000 -116.278 0.541 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 174.416 90.000 -84.416 0.792 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 174.416 135.000 -39.416 0.385 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -88.703 -180.000 -91.297 0.511 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -88.703 -45.000 43.703 0.399 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 89.382 180.000 90.618 0.379 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 89.382 45.000 -44.382 0.300 0.150 4 ( 37 C | 38 N | 38 CA | 38 C ) -50.029 -180.000 -129.971 0.616 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -50.029 -90.000 -39.971 0.248 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -172.629 -90.000 82.629 0.787 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -172.629 -135.000 37.629 0.374 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 81.868 180.000 98.132 0.571 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 81.868 45.000 -36.868 0.369 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -97.302 -180.000 -82.698 0.327 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -97.302 -60.000 37.302 0.309 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -97.302 -135.000 -37.698 0.281 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -62.814 -180.000 -117.186 0.546 0.375 1 ( 38 C | 39 N | 39 CA | 39 CB ) 175.164 90.000 -85.164 0.794 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 175.164 135.000 -40.164 0.389 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 81.150 180.000 98.850 0.577 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 81.150 45.000 -36.150 0.363 0.200 4 ( 38 CB | 38 CA | 38 C | 38 O ) -99.334 -180.000 -80.666 0.314 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -99.334 -60.000 39.334 0.331 0.225 3 ( 38 CB | 38 CA | 38 C | 38 O ) -99.334 -135.000 -35.666 0.269 0.150 4 ( 39 C | 40 N | 40 CA | 40 C ) -53.372 -180.000 -126.628 0.599 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -53.372 -90.000 -36.628 0.214 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -175.140 -90.000 85.140 0.794 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -175.140 -135.000 40.140 0.389 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 75.709 180.000 104.291 0.623 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 75.709 45.000 -30.709 0.308 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 75.709 108.000 32.291 0.195 0.100 5 ( 39 CB | 39 CA | 39 C | 39 O ) -105.388 -180.000 -74.612 0.275 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -105.388 -60.000 45.388 0.387 0.225 3 ( 40 C | 41 N | 41 CA | 41 C ) -87.658 -180.000 -92.342 0.390 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -87.658 -45.000 42.658 0.298 0.150 4 ( 40 C | 41 N | 41 CA | 41 CB ) 149.796 180.000 30.204 0.068 0.500 1 ( 40 C | 41 N | 41 CA | 41 CB ) 149.796 90.000 -59.796 0.598 0.400 2 ( 40 C | 41 N | 41 CA | 41 CB ) 149.796 180.000 30.204 0.303 0.300 3 ( 40 C | 41 N | 41 CA | 41 CB ) 149.796 180.000 30.204 0.187 0.100 5 ( 40 CB | 40 CA | 40 C | 41 N ) 84.350 180.000 95.650 0.549 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 84.350 45.000 -39.350 0.385 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -95.317 -180.000 -84.683 0.340 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -95.317 -60.000 35.317 0.287 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -95.317 -135.000 -39.683 0.290 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -86.845 -180.000 -93.155 0.396 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -86.845 -45.000 41.845 0.296 0.150 4 ( 41 C | 42 N | 42 CA | 42 CB ) 148.941 180.000 31.059 0.072 0.500 1 ( 41 C | 42 N | 42 CA | 42 CB ) 148.941 90.000 -58.941 0.587 0.400 2 ( 41 C | 42 N | 42 CA | 42 CB ) 148.941 180.000 31.059 0.317 0.300 3 ( 41 C | 42 N | 42 CA | 42 CB ) 148.941 180.000 31.059 0.191 0.100 5 ( 41 CB | 41 CA | 41 C | 42 N ) 80.425 180.000 99.575 0.583 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 80.425 45.000 -35.425 0.357 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -100.509 -180.000 -79.491 0.307 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -100.509 -60.000 40.509 0.343 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -100.509 -135.000 -34.491 0.261 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -103.978 -180.000 -76.022 0.284 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -103.978 -60.000 43.978 0.375 0.225 3 ( 42 C | 43 N | 43 CA | 43 C ) -103.978 -135.000 -31.022 0.234 0.150 4 ( 42 C | 43 N | 43 CA | 43 CB ) 134.632 180.000 45.368 0.149 0.500 1 ( 42 C | 43 N | 43 CA | 43 CB ) 134.632 90.000 -44.632 0.395 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 134.632 180.000 45.368 0.516 0.300 3 ( 42 CB | 42 CA | 42 C | 43 N ) 145.076 180.000 34.924 0.090 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 145.076 90.000 -55.076 0.538 0.400 2 ( 42 CB | 42 CA | 42 C | 43 N ) 145.076 180.000 34.924 0.376 0.300 3 ( 42 CB | 42 CA | 42 C | 43 N ) 145.076 180.000 34.924 0.200 0.100 5 ( 42 CB | 42 CA | 42 C | 42 O ) -35.401 -180.000 -144.599 0.681 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -35.401 -90.000 -54.599 0.399 0.300 2 ( 43 CB | 43 CA | 43 C | 44 N ) -97.330 -180.000 -82.670 0.436 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -97.330 -60.000 37.330 0.412 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -97.330 -135.000 -37.670 0.374 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 82.733 180.000 97.267 0.422 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 82.733 45.000 -37.733 0.281 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -48.188 -180.000 -131.812 0.625 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -48.188 -90.000 -41.812 0.267 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -172.521 -90.000 82.521 0.786 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -172.521 -135.000 37.521 0.373 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -90.289 -180.000 -89.711 0.497 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -90.289 -60.000 30.289 0.305 0.300 3 ( 44 CB | 44 CA | 44 C | 45 N ) -90.289 -135.000 -44.711 0.400 0.200 4 ( 44 CB | 44 CA | 44 C | 44 O ) 89.700 180.000 90.300 0.377 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 89.700 45.000 -44.700 0.300 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -63.359 -180.000 -116.641 0.543 0.375 1 ( 45 C | 46 N | 46 CA | 46 CB ) 173.882 90.000 -83.882 0.791 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 173.882 135.000 -38.882 0.382 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 85.580 180.000 94.420 0.539 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 85.580 45.000 -40.580 0.391 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -95.140 -180.000 -84.860 0.341 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -95.140 -60.000 35.140 0.285 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -95.140 -135.000 -39.860 0.290 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -65.933 -180.000 -114.067 0.528 0.375 1 ( 46 C | 47 N | 47 CA | 47 CB ) 170.406 90.000 -80.406 0.778 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 170.406 135.000 -35.406 0.357 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 68.114 180.000 111.886 0.686 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 68.114 36.000 -32.114 0.194 0.100 5 ( 46 CB | 46 CA | 46 C | 46 O ) -112.400 -180.000 -67.600 0.232 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -112.400 -60.000 52.400 0.432 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -67.914 -180.000 -112.086 0.516 0.375 1 ( 47 C | 48 N | 48 CA | 48 C ) -67.914 -36.000 31.914 0.145 0.075 5 ( 47 C | 48 N | 48 CA | 48 CB ) 169.619 90.000 -79.619 0.774 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 169.619 135.000 -34.619 0.350 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 103.396 180.000 76.604 0.384 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 103.396 60.000 -43.396 0.494 0.300 3 ( 47 CB | 47 CA | 47 C | 48 N ) 103.396 135.000 31.604 0.319 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -76.501 -180.000 -103.499 0.463 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -76.501 -45.000 31.501 0.238 0.150 4 ( 47 CB | 47 CA | 47 C | 47 O ) -76.501 -108.000 -31.499 0.144 0.075 5 ( 48 C | 49 N | 49 CA | 49 C ) -59.741 -180.000 -120.259 0.564 0.375 1 ( 48 C | 49 N | 49 CA | 49 C ) -59.741 -90.000 -30.259 0.152 0.300 2 ( 48 C | 49 N | 49 CA | 49 CB ) 178.090 90.000 -88.090 0.799 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 178.090 135.000 -43.090 0.398 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 75.496 180.000 104.504 0.625 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 75.496 45.000 -30.496 0.306 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 75.496 108.000 32.504 0.195 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -104.730 -180.000 -75.270 0.280 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -104.730 -60.000 44.730 0.382 0.225 3 ( 48 CB | 48 CA | 48 C | 48 O ) -104.730 -135.000 -30.270 0.227 0.150 4 ( 49 C | 50 N | 50 CA | 50 C ) -55.565 -180.000 -124.435 0.587 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -55.565 -90.000 -34.435 0.192 0.300 2 ( 49 C | 50 N | 50 CA | 50 CB ) -177.180 -90.000 87.180 0.798 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) -177.180 -135.000 42.180 0.396 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 80.572 180.000 99.428 0.582 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 80.572 45.000 -35.572 0.358 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -99.464 -180.000 -80.536 0.313 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -99.464 -60.000 39.464 0.332 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -99.464 -135.000 -35.536 0.268 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -48.927 -180.000 -131.073 0.621 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -48.927 -90.000 -41.073 0.259 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -171.000 -90.000 81.000 0.780 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -171.000 -135.000 36.000 0.362 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 71.377 180.000 108.623 0.660 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 71.377 36.000 -35.377 0.200 0.100 5 ( 50 CB | 50 CA | 50 C | 50 O ) -108.821 -180.000 -71.179 0.254 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -108.821 -60.000 48.821 0.413 0.225 3 ( 51 C | 52 N | 52 CA | 52 C ) -61.059 -180.000 -118.941 0.556 0.375 1 ( 51 C | 52 N | 52 CA | 52 CB ) 176.704 90.000 -86.704 0.797 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 176.704 135.000 -41.704 0.395 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 73.005 180.000 106.995 0.646 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 73.005 108.000 34.995 0.200 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -107.951 -180.000 -72.049 0.259 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -107.951 -60.000 47.951 0.407 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -76.143 -180.000 -103.857 0.465 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -76.143 -45.000 31.143 0.235 0.150 4 ( 52 C | 53 N | 53 CA | 53 C ) -76.143 -108.000 -31.857 0.145 0.075 5 ( 52 C | 53 N | 53 CA | 53 CB ) 160.636 90.000 -70.636 0.712 0.400 2 ( 52 CB | 52 CA | 52 C | 53 N ) 80.354 180.000 99.646 0.584 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 80.354 45.000 -35.354 0.356 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -99.939 -180.000 -80.061 0.310 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -99.939 -60.000 39.939 0.337 0.225 3 ( 52 CB | 52 CA | 52 C | 52 O ) -99.939 -135.000 -35.061 0.265 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -76.682 -180.000 -103.318 0.461 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -76.682 -45.000 31.682 0.240 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -76.682 -108.000 -31.318 0.144 0.075 5 ( 53 C | 54 N | 54 CA | 54 CB ) 160.147 90.000 -70.147 0.708 0.400 2 ( 53 CB | 53 CA | 53 C | 54 N ) 91.264 180.000 88.736 0.489 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 91.264 60.000 -31.264 0.320 0.300 3 ( 53 CB | 53 CA | 53 C | 54 N ) 91.264 135.000 43.736 0.399 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -89.968 -180.000 -90.032 0.375 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -89.968 -45.000 44.968 0.300 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -109.425 -180.000 -70.575 0.250 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -109.425 -60.000 49.425 0.416 0.225 3 ( 54 C | 55 N | 55 CA | 55 CB ) 127.810 180.000 52.190 0.193 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 127.810 90.000 -37.810 0.301 0.400 2 ( 54 C | 55 N | 55 CA | 55 CB ) 127.810 180.000 52.190 0.575 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 95.469 180.000 84.531 0.452 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 95.469 60.000 -35.469 0.385 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 95.469 135.000 39.531 0.386 0.200 4 ( 54 CB | 54 CA | 54 C | 54 O ) -83.750 -180.000 -96.250 0.416 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -83.750 -45.000 38.750 0.286 0.150 4 ( 55 CB | 55 CA | 55 C | 56 N ) -98.080 -180.000 -81.920 0.430 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -98.080 -60.000 38.080 0.423 0.300 3 ( 55 CB | 55 CA | 55 C | 56 N ) -98.080 -135.000 -36.920 0.369 0.200 4 ( 55 CB | 55 CA | 55 C | 55 O ) 82.830 180.000 97.170 0.422 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 82.830 45.000 -37.830 0.282 0.150 4 ( 56 C | 57 N | 57 CA | 57 C ) -131.261 -180.000 -48.739 0.128 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -131.261 -90.000 41.261 0.261 0.300 2 ( 56 C | 57 N | 57 CA | 57 C ) -131.261 -180.000 -48.739 0.412 0.225 3 ( 56 C | 57 N | 57 CA | 57 CB ) 107.193 180.000 72.807 0.352 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 107.193 60.000 -47.193 0.535 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -139.433 -180.000 -40.567 0.120 0.500 1 ( 56 CB | 56 CA | 56 C | 57 N ) -139.433 -90.000 49.433 0.462 0.400 2 ( 56 CB | 56 CA | 56 C | 57 N ) -139.433 -180.000 -40.567 0.458 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -139.433 -108.000 31.433 0.192 0.100 5 ( 56 CB | 56 CA | 56 C | 56 O ) 41.274 180.000 138.726 0.657 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 41.274 90.000 48.726 0.339 0.300 2 ( 57 C | 58 N | 58 CA | 58 C ) -83.819 -180.000 -96.181 0.415 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -83.819 -45.000 38.819 0.286 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 155.335 90.000 -65.335 0.661 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -96.198 -180.000 -83.802 0.446 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -96.198 -60.000 36.198 0.396 0.300 3 ( 57 CB | 57 CA | 57 C | 58 N ) -96.198 -135.000 -38.802 0.382 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 84.335 180.000 95.665 0.412 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 84.335 45.000 -39.335 0.288 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -45.146 -180.000 -134.854 0.639 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -45.146 -90.000 -44.854 0.298 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -167.009 -90.000 77.009 0.760 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -167.009 -135.000 32.009 0.323 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -73.169 -180.000 -106.831 0.645 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -73.169 -108.000 -34.831 0.199 0.100 5 ( 58 CB | 58 CA | 58 C | 58 O ) 105.770 180.000 74.230 0.273 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 105.770 60.000 -45.770 0.390 0.225 3 ( 59 C | 60 N | 60 CA | 60 C ) -64.720 -180.000 -115.280 0.535 0.375 1 ( 59 C | 60 N | 60 CA | 60 CB ) 172.610 90.000 -82.610 0.787 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 172.610 135.000 -37.610 0.374 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 74.415 180.000 105.585 0.634 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 74.415 108.000 33.585 0.198 0.100 5 ( 59 CB | 59 CA | 59 C | 59 O ) -106.261 -180.000 -73.739 0.270 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -106.261 -60.000 46.261 0.394 0.225 3 ( 60 C | 61 N | 61 CA | 61 C ) -68.632 -180.000 -111.368 0.512 0.375 1 ( 60 C | 61 N | 61 CA | 61 C ) -68.632 -36.000 32.632 0.147 0.075 5 ( 60 C | 61 N | 61 CA | 61 CB ) 167.641 90.000 -77.641 0.763 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 167.641 135.000 -32.641 0.330 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 89.371 180.000 90.629 0.505 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 89.371 45.000 -44.371 0.400 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -91.142 -180.000 -88.858 0.368 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -91.142 -60.000 31.142 0.238 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -91.142 -135.000 -43.858 0.300 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -61.181 -180.000 -118.819 0.556 0.375 1 ( 61 C | 62 N | 62 CA | 62 CB ) 176.367 90.000 -86.367 0.797 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 176.367 135.000 -41.367 0.394 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 81.956 180.000 98.044 0.570 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 81.956 45.000 -36.956 0.369 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -99.107 -180.000 -80.893 0.316 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -99.107 -60.000 39.107 0.328 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -99.107 -135.000 -35.893 0.271 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -57.498 -180.000 -122.502 0.576 0.375 1 ( 62 C | 63 N | 63 CA | 63 C ) -57.498 -90.000 -32.502 0.173 0.300 2 ( 62 C | 63 N | 63 CA | 63 CB ) 179.646 90.000 -89.646 0.800 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 179.646 135.000 -44.646 0.400 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 81.218 180.000 98.782 0.576 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 81.218 45.000 -36.218 0.364 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -98.394 -180.000 -81.606 0.320 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -98.394 -60.000 38.394 0.321 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -98.394 -135.000 -36.606 0.275 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -59.390 -180.000 -120.610 0.566 0.375 1 ( 63 C | 64 N | 64 CA | 64 C ) -59.390 -90.000 -30.610 0.156 0.300 2 ( 63 C | 64 N | 64 CA | 64 CB ) 178.432 90.000 -88.432 0.799 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 178.432 135.000 -43.432 0.399 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 78.201 180.000 101.799 0.602 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 78.201 45.000 -33.201 0.336 0.200 4 ( 63 CB | 63 CA | 63 C | 63 O ) -102.445 -180.000 -77.555 0.294 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -102.445 -60.000 42.445 0.361 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -102.445 -135.000 -32.555 0.247 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -54.100 -180.000 -125.900 0.595 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -54.100 -90.000 -35.900 0.206 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -176.727 -90.000 86.727 0.797 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -176.727 -135.000 41.727 0.395 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 72.216 180.000 107.784 0.653 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 72.216 108.000 35.784 0.200 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -108.026 -180.000 -71.974 0.259 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -108.026 -60.000 48.026 0.407 0.225 3 ( 65 C | 66 N | 66 CA | 66 C ) -61.149 -180.000 -118.851 0.556 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 176.924 90.000 -86.924 0.798 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 176.924 135.000 -41.924 0.395 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 81.230 180.000 98.770 0.576 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 81.230 45.000 -36.230 0.364 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -99.342 -180.000 -80.658 0.314 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -99.342 -60.000 39.342 0.331 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -99.342 -135.000 -35.658 0.269 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -69.863 -180.000 -110.137 0.504 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -69.863 -36.000 33.863 0.149 0.075 5 ( 66 C | 67 N | 67 CA | 67 CB ) 167.245 90.000 -77.245 0.761 0.400 2 ( 66 C | 67 N | 67 CA | 67 CB ) 167.245 135.000 -32.245 0.326 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 79.999 180.000 100.001 0.587 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 79.999 45.000 -34.999 0.353 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -99.452 -180.000 -80.548 0.313 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -99.452 -60.000 39.452 0.332 0.225 3 ( 66 CB | 66 CA | 66 C | 66 O ) -99.452 -135.000 -35.548 0.269 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -62.718 -180.000 -117.282 0.547 0.375 1 ( 67 C | 68 N | 68 CA | 68 CB ) 174.265 90.000 -84.265 0.792 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 174.265 135.000 -39.265 0.384 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 87.667 180.000 92.333 0.520 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 87.667 45.000 -42.667 0.397 0.200 4 ( 67 CB | 67 CA | 67 C | 67 O ) -93.214 -180.000 -86.786 0.354 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -93.214 -60.000 33.214 0.263 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -93.214 -135.000 -41.786 0.296 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) -132.695 -180.000 -47.305 0.644 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -63.594 -180.000 -116.406 0.542 0.375 1 ( 68 C | 69 N | 69 CA | 69 CB ) 173.844 90.000 -83.844 0.791 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 173.844 135.000 -38.844 0.382 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 80.530 180.000 99.470 0.582 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 80.530 45.000 -35.530 0.358 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -99.625 -180.000 -80.375 0.312 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -99.625 -60.000 39.625 0.334 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -99.625 -135.000 -35.375 0.267 0.150 4 ( 70 CZ | 70 NE | 70 CD | 70 CG ) 137.932 180.000 42.068 0.515 2.000 1 ( 69 C | 70 N | 70 CA | 70 C ) -56.976 -180.000 -123.024 0.579 0.375 1 ( 69 C | 70 N | 70 CA | 70 C ) -56.976 -90.000 -33.024 0.178 0.300 2 ( 69 C | 70 N | 70 CA | 70 CB ) -179.391 -90.000 89.391 0.800 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) -179.391 -135.000 44.391 0.400 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 80.336 180.000 99.664 0.584 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 80.336 45.000 -35.336 0.356 0.200 4 ( 69 CB | 69 CA | 69 C | 69 O ) -99.684 -180.000 -80.316 0.312 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -99.684 -60.000 39.684 0.334 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -99.684 -135.000 -35.316 0.267 0.150 4 ( 71 CZ | 71 NE | 71 CD | 71 CG ) 125.527 180.000 54.473 0.838 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -73.338 -180.000 -106.662 0.483 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -73.338 -108.000 -34.662 0.149 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 164.722 90.000 -74.722 0.744 0.400 2 ( 70 CB | 70 CA | 70 C | 71 N ) 78.850 180.000 101.150 0.597 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 78.850 45.000 -33.850 0.342 0.200 4 ( 70 CB | 70 CA | 70 C | 70 O ) -102.068 -180.000 -77.932 0.297 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -102.068 -60.000 42.068 0.358 0.225 3 ( 70 CB | 70 CA | 70 C | 70 O ) -102.068 -135.000 -32.932 0.250 0.150 4 ( 71 C | 72 N | 72 CA | 72 C ) -61.391 -180.000 -118.609 0.555 0.375 1 ( 71 CB | 71 CA | 71 C | 72 N ) 73.975 180.000 106.025 0.638 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 73.975 108.000 34.025 0.199 0.100 5 ( 71 CB | 71 CA | 71 C | 71 O ) -106.275 -180.000 -73.725 0.270 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -106.275 -60.000 46.275 0.394 0.225 3 ( 72 C | 73 N | 73 CA | 73 C ) -62.487 -180.000 -117.513 0.548 0.375 1 ( 72 C | 73 N | 73 CA | 73 CB ) 175.016 90.000 -85.016 0.794 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 175.016 135.000 -40.016 0.388 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -77.008 -180.000 -102.992 0.459 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -77.008 -45.000 32.008 0.242 0.150 4 ( 73 C | 74 N | 74 CA | 74 C ) -77.008 -108.000 -30.992 0.143 0.075 5 ( 73 C | 74 N | 74 CA | 74 CB ) 160.847 90.000 -70.847 0.714 0.400 2 ( 73 CB | 73 CA | 73 C | 74 N ) 86.567 180.000 93.433 0.530 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 86.567 45.000 -41.567 0.394 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -93.658 -180.000 -86.342 0.351 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -93.658 -60.000 33.658 0.268 0.225 3 ( 73 CB | 73 CA | 73 C | 73 O ) -93.658 -135.000 -41.342 0.295 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -60.615 -180.000 -119.385 0.559 0.375 1 ( 74 C | 75 N | 75 CA | 75 CB ) 177.891 90.000 -87.891 0.799 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) 177.891 135.000 -42.891 0.398 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 90.213 180.000 89.787 0.498 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 90.213 60.000 -30.213 0.303 0.300 3 ( 74 CB | 74 CA | 74 C | 75 N ) 90.213 135.000 44.787 0.400 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -89.331 -180.000 -90.669 0.379 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -89.331 -45.000 44.331 0.300 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -63.060 -180.000 -116.940 0.545 0.375 1 ( 75 C | 76 N | 76 CA | 76 CB ) 173.920 90.000 -83.920 0.791 0.400 2 ( 75 C | 76 N | 76 CA | 76 CB ) 173.920 135.000 -38.920 0.382 0.200 4 ( 75 CB | 75 CA | 75 C | 76 N ) 58.298 180.000 121.702 0.763 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 58.298 90.000 31.702 0.221 0.400 2 ( 75 CB | 75 CA | 75 C | 75 O ) -122.213 -180.000 -57.787 0.175 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -122.213 -90.000 32.213 0.170 0.300 2 ( 75 CB | 75 CA | 75 C | 75 O ) -122.213 -180.000 -57.787 0.448 0.225 3 ( 76 C | 77 N | 77 CA | 77 C ) -55.394 -180.000 -124.606 0.588 0.375 1 ( 76 C | 77 N | 77 CA | 77 C ) -55.394 -90.000 -34.606 0.194 0.300 2 ( 76 C | 77 N | 77 CA | 77 CB ) -178.192 -90.000 88.192 0.799 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) -178.192 -135.000 43.192 0.398 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 96.923 180.000 83.077 0.440 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 96.923 60.000 -36.923 0.406 0.300 3 ( 76 CB | 76 CA | 76 C | 77 N ) 96.923 135.000 38.077 0.377 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -84.143 -180.000 -95.857 0.413 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -84.143 -45.000 39.143 0.288 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -52.793 -180.000 -127.207 0.602 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -52.793 -90.000 -37.207 0.219 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.071 -90.000 86.071 0.796 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.071 -135.000 41.071 0.393 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 97.288 180.000 82.712 0.437 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 97.288 60.000 -37.288 0.412 0.300 3 ( 77 CB | 77 CA | 77 C | 78 N ) 97.288 135.000 37.712 0.375 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -83.541 -180.000 -96.459 0.417 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -83.541 -45.000 38.541 0.285 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -71.769 -180.000 -108.231 0.492 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -71.769 -36.000 35.769 0.150 0.075 5 ( 78 C | 79 N | 79 CA | 79 CB ) 166.632 90.000 -76.632 0.757 0.400 2 ( 78 C | 79 N | 79 CA | 79 CB ) 166.632 135.000 -31.632 0.319 0.200 4 ( 78 CB | 78 CA | 78 C | 79 N ) 92.812 180.000 87.188 0.475 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 92.812 60.000 -32.812 0.344 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 92.812 135.000 42.188 0.396 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -88.195 -180.000 -91.805 0.387 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -88.195 -45.000 43.195 0.299 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -126.528 -180.000 -53.472 0.152 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -126.528 -90.000 36.528 0.213 0.300 2 ( 79 C | 80 N | 80 CA | 80 C ) -126.528 -180.000 -53.472 0.437 0.225 3 ( 79 C | 80 N | 80 CA | 80 CB ) 111.218 180.000 68.782 0.319 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 111.218 60.000 -51.218 0.569 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 91.630 180.000 88.370 0.486 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 91.630 60.000 -31.630 0.326 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 91.630 135.000 43.370 0.399 0.200 4 ( 79 CB | 79 CA | 79 C | 79 O ) -88.580 -180.000 -91.420 0.384 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -88.580 -45.000 43.580 0.299 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -73.136 -180.000 -106.864 0.484 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -73.136 -108.000 -34.864 0.150 0.075 5 ( 80 C | 81 N | 81 CA | 81 CB ) 164.069 90.000 -74.069 0.740 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 141.850 180.000 38.150 0.107 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 141.850 90.000 -51.850 0.495 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 141.850 180.000 38.150 0.424 0.300 3 ( 80 CB | 80 CA | 80 C | 81 N ) 141.850 108.000 -33.850 0.198 0.100 5 ( 80 CB | 80 CA | 80 C | 80 O ) -39.193 -180.000 -140.807 0.666 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -39.193 -90.000 -50.807 0.360 0.300 2 ( 82 CZ | 82 NE | 82 CD | 82 CG ) 116.410 180.000 63.590 1.110 2.000 1 ( 81 C | 82 N | 82 CA | 82 C ) -65.475 -180.000 -114.525 0.531 0.375 1 ( 81 C | 82 N | 82 CA | 82 CB ) 170.860 90.000 -80.860 0.780 0.400 2 ( 81 C | 82 N | 82 CA | 82 CB ) 170.860 135.000 -35.860 0.361 0.200 4 ( 81 CB | 81 CA | 81 C | 82 N ) -112.814 -180.000 -67.186 0.306 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) -112.814 -60.000 52.814 0.579 0.300 3 ( 81 CB | 81 CA | 81 C | 81 O ) 66.761 180.000 113.239 0.523 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) 66.761 36.000 -30.761 0.142 0.075 5 ( 82 C | 83 N | 83 CA | 83 C ) -71.474 -180.000 -108.526 0.494 0.375 1 ( 82 C | 83 N | 83 CA | 83 C ) -71.474 -36.000 35.474 0.150 0.075 5 ( 82 C | 83 N | 83 CA | 83 CB ) 165.928 90.000 -75.928 0.753 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 165.928 135.000 -30.928 0.311 0.200 4 ( 82 CB | 82 CA | 82 C | 83 N ) -92.971 -180.000 -87.029 0.474 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) -92.971 -60.000 32.971 0.346 0.300 3 ( 82 CB | 82 CA | 82 C | 83 N ) -92.971 -135.000 -42.029 0.396 0.200 4 ( 82 CB | 82 CA | 82 C | 82 O ) 87.139 180.000 92.861 0.394 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 87.139 45.000 -42.139 0.297 0.150 4 ( 84 CG | 84 CB | 84 CA | 84 N ) 21.013 60.000 38.987 2.907 2.000 3 ( 83 C | 84 N | 84 CA | 84 C ) -85.722 -180.000 -94.278 0.403 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -85.722 -45.000 40.722 0.293 0.150 4 ( 83 C | 84 N | 84 CA | 84 CB ) 149.298 180.000 30.702 0.070 0.500 1 ( 83 C | 84 N | 84 CA | 84 CB ) 149.298 90.000 -59.298 0.591 0.400 2 ( 83 C | 84 N | 84 CA | 84 CB ) 149.298 180.000 30.702 0.311 0.300 3 ( 83 C | 84 N | 84 CA | 84 CB ) 149.298 180.000 30.702 0.190 0.100 5 ( 83 CB | 83 CA | 83 C | 84 N ) -128.609 -180.000 -51.391 0.188 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -128.609 -90.000 38.609 0.312 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -128.609 -180.000 -51.391 0.570 0.300 3 ( 83 CB | 83 CA | 83 C | 83 O ) 51.126 180.000 128.874 0.610 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 51.126 90.000 38.874 0.236 0.300 2 ( 84 C | 85 N | 85 CA | 85 C ) -154.874 -90.000 64.874 0.492 0.300 2 ( 84 C | 85 N | 85 CA | 85 CB ) 83.195 180.000 96.805 0.559 0.500 1 ( 84 C | 85 N | 85 CA | 85 CB ) 83.195 45.000 -38.195 0.378 0.200 4 ( 84 CB | 84 CA | 84 C | 85 N ) -165.732 -90.000 75.732 0.751 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) -165.732 -135.000 30.732 0.309 0.200 4 ( 84 CB | 84 CA | 84 C | 84 O ) 15.254 180.000 164.746 0.737 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 15.254 90.000 74.746 0.558 0.300 2 ( 84 CB | 84 CA | 84 C | 84 O ) 15.254 60.000 44.746 0.382 0.225 3 ( 85 C | 86 N | 86 CA | 86 C ) -92.895 -180.000 -87.105 0.356 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -92.895 -60.000 32.895 0.259 0.225 3 ( 85 C | 86 N | 86 CA | 86 C ) -92.895 -135.000 -42.105 0.297 0.150 4 ( 85 C | 86 N | 86 CA | 86 CB ) 144.713 180.000 35.287 0.092 0.500 1 ( 85 C | 86 N | 86 CA | 86 CB ) 144.713 90.000 -54.713 0.533 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 144.713 180.000 35.287 0.382 0.300 3 ( 85 C | 86 N | 86 CA | 86 CB ) 144.713 180.000 35.287 0.200 0.100 5 ( 85 CB | 85 CA | 85 C | 86 N ) -128.112 -180.000 -51.888 0.191 0.500 1 ( 85 CB | 85 CA | 85 C | 86 N ) -128.112 -90.000 38.112 0.305 0.400 2 ( 85 CB | 85 CA | 85 C | 86 N ) -128.112 -180.000 -51.888 0.573 0.300 3 ( 85 CB | 85 CA | 85 C | 85 O ) 52.596 180.000 127.404 0.603 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 52.596 90.000 37.404 0.221 0.300 2 ( 86 C | 87 N | 87 CA | 87 C ) -64.871 -180.000 -115.129 0.534 0.375 1 ( 86 C | 87 N | 87 CA | 87 CB ) 172.812 90.000 -82.812 0.787 0.400 2 ( 86 C | 87 N | 87 CA | 87 CB ) 172.812 135.000 -37.812 0.375 0.200 4 ( 86 CB | 86 CA | 86 C | 87 N ) -66.257 -180.000 -113.743 0.701 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -66.257 -36.000 30.257 0.188 0.100 5 ( 86 CB | 86 CA | 86 C | 86 O ) 113.670 180.000 66.330 0.224 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 113.670 60.000 -53.670 0.438 0.225 3 ( 87 C | 88 N | 88 CA | 88 C ) -75.937 -180.000 -104.063 0.466 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -75.937 -45.000 30.937 0.233 0.150 4 ( 87 C | 88 N | 88 CA | 88 C ) -75.937 -108.000 -32.063 0.146 0.075 5 ( 87 C | 88 N | 88 CA | 88 CB ) 160.955 90.000 -70.955 0.715 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -141.180 -180.000 -38.820 0.110 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -141.180 -90.000 51.180 0.486 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -141.180 -180.000 -38.820 0.434 0.300 3 ( 87 CB | 87 CA | 87 C | 88 N ) -141.180 -108.000 33.180 0.197 0.100 5 ( 87 CB | 87 CA | 87 C | 87 O ) 40.633 180.000 139.367 0.660 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 40.633 90.000 49.367 0.346 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -58.425 -180.000 -121.575 0.571 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -58.425 -90.000 -31.575 0.165 0.300 2 ( 88 C | 89 N | 89 CA | 89 CB ) 178.043 90.000 -88.043 0.799 0.400 2 ( 88 C | 89 N | 89 CA | 89 CB ) 178.043 135.000 -43.043 0.398 0.200 4 ( 88 CB | 88 CA | 88 C | 89 N ) -143.393 -180.000 -36.607 0.099 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -143.393 -90.000 53.393 0.516 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) -143.393 -180.000 -36.607 0.402 0.300 3 ( 88 CB | 88 CA | 88 C | 89 N ) -143.393 -108.000 35.393 0.200 0.100 5 ( 88 CB | 88 CA | 88 C | 88 O ) 38.447 180.000 141.553 0.669 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 38.447 90.000 51.553 0.368 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -85.773 -180.000 -94.227 0.403 0.375 1 ( 89 C | 90 N | 90 CA | 90 C ) -85.773 -45.000 40.773 0.294 0.150 4 ( 89 C | 90 N | 90 CA | 90 CB ) 150.943 90.000 -60.943 0.611 0.400 2 ( 89 CB | 89 CA | 89 C | 90 N ) -132.771 -180.000 -47.229 0.160 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -132.771 -90.000 42.771 0.369 0.400 2 ( 89 CB | 89 CA | 89 C | 90 N ) -132.771 -180.000 -47.229 0.535 0.300 3 ( 89 CB | 89 CA | 89 C | 89 O ) 48.216 180.000 131.784 0.625 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 48.216 90.000 41.784 0.266 0.300 2 ( 90 C | 91 N | 91 CA | 91 C ) -107.230 -180.000 -72.770 0.264 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) -107.230 -60.000 47.230 0.402 0.225 3 ( 90 C | 91 N | 91 CA | 91 CB ) 130.064 180.000 49.936 0.178 0.500 1 ( 90 C | 91 N | 91 CA | 91 CB ) 130.064 90.000 -40.064 0.331 0.400 2 ( 90 C | 91 N | 91 CA | 91 CB ) 130.064 180.000 49.936 0.559 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -108.949 -180.000 -71.051 0.338 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -108.949 -60.000 48.949 0.551 0.300 3 ( 90 CB | 90 CA | 90 C | 90 O ) 71.352 180.000 108.648 0.495 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 71.352 36.000 -35.352 0.150 0.075 5 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: -1730.8, 81.2592, 92.1998, 48.356, 428.416, -261.347, -2120.31, 0.630139, 0, $coup, $sani, $vean