%atoms " -24 -ASP -HB1 " and " -71 -ARG -HH22" only 1.23 A apart NBONDS: found 116129 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 375 ========== set-i-atoms 41 VAL HG21 41 VAL HG22 41 VAL HG23 set-j-atoms 42 ASN HD21 R= 5.356 NOE= 4.62 (- 2.82/+ 0.69) Delta= -0.046 E(NOE)= 0.104 ========== spectrum 1 restraint 378 ========== set-i-atoms 39 LYS HA set-j-atoms 43 LEU HN R= 4.632 NOE= 4.01 (- 2.21/+ 0.60) Delta= -0.022 E(NOE)= 0.025 ========== spectrum 1 restraint 686 ========== set-i-atoms 41 VAL HG11 41 VAL HG12 41 VAL HG13 set-j-atoms 42 ASN HD21 R= 5.073 NOE= 4.40 (- 2.60/+ 0.66) Delta= -0.013 E(NOE)= 0.009 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.147 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.067 E(NOE)= 0.227 ========== 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= 4.077 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.017 E(NOE)= 0.015 ========== spectrum 1 restraint 933 ========== set-i-atoms 40 ILE HG21 40 ILE HG22 40 ILE HG23 set-j-atoms 48 PHE HE1 48 PHE HE2 R= 1.751 NOE= 3.80 (- 2.00/+ 0.57) Delta= 0.049 E(NOE)= 0.120 ========== spectrum 1 restraint 1048 ========== set-i-atoms 54 ARG HD2 set-j-atoms 55 TYR HE1 55 TYR HE2 R= 5.774 NOE= 5.00 (- 3.20/+ 0.75) Delta= -0.024 E(NOE)= 0.029 ========== spectrum 1 restraint 1186 ========== set-i-atoms 43 LEU HD11 43 LEU HD12 43 LEU HD13 set-j-atoms 51 LEU HD21 51 LEU HD22 51 LEU HD23 R= 1.780 NOE= 3.51 (- 1.71/+ 0.53) Delta= 0.020 E(NOE)= 0.020 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.512 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.012 E(NOE)= 0.008 ========== spectrum 1 restraint 1354 ========== set-i-atoms 31 MET HG1 set-j-atoms 33 ILE HD11 33 ILE HD12 33 ILE HD13 R= 4.635 NOE= 4.00 (- 2.20/+ 0.60) Delta= -0.035 E(NOE)= 0.063 ========== spectrum 1 restraint 1418 ========== set-i-atoms 36 PRO HB1 set-j-atoms 39 LYS HD2 R= 6.572 NOE= 5.71 (- 3.91/+ 0.86) Delta= -0.002 E(NOE)= 0.000 ========== spectrum 1 restraint 1735 ========== set-i-atoms 25 GLU HG1 25 GLU HG2 set-j-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 R= 5.056 NOE= 4.38 (- 2.58/+ 0.66) Delta= -0.016 E(NOE)= 0.013 NOEPRI: RMS diff. = 0.002, #(violat.> 0.0)= 12 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.002, #(viol.> 0.0)= 12 of 2047 NOEs ======================================== 46 ASP N 46 ASP CA 46 ASP C 47 ASP N Dihedral= -63.145 Energy= 0.000 C= 1.000 Equil= -42.400 Delta= 0.745 Range= 20.000 Exponent= 2 ======================================== 72 GLY N 72 GLY CA 72 GLY C 73 LYS N Dihedral= -49.066 Energy= 0.000 C= 1.000 Equil= -23.650 Delta= 0.166 Range= 25.250 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 ( 7 CA | 7 C | 8 N | 8 CA ) -172.275 180.000 -7.725 1.818 100.000 0 ( 21 CA | 21 C | 22 N | 22 CA ) -172.700 180.000 -7.300 1.623 100.000 0 ( 24 CA | 24 C | 25 N | 25 CA ) 174.663 180.000 5.337 0.868 100.000 0 ( 32 CA | 32 C | 33 N | 33 CA ) 174.471 180.000 5.529 0.931 100.000 0 ( 33 CA | 33 C | 34 N | 34 CA ) -174.352 180.000 -5.648 0.972 100.000 0 ( 35 CA | 35 C | 36 N | 36 CA ) -174.647 180.000 -5.353 0.873 100.000 0 ( 41 CA | 41 C | 42 N | 42 CA ) -172.141 180.000 -7.859 1.881 100.000 0 ( 42 CA | 42 C | 43 N | 43 CA ) 174.232 180.000 5.768 1.014 100.000 0 ( 49 CA | 49 C | 50 N | 50 CA ) 174.945 180.000 5.055 0.778 100.000 0 ( 89 CA | 89 C | 90 N | 90 CA ) 174.078 180.000 5.922 1.068 100.000 0 ( 90 CA | 90 C | 91 N | 91 CA ) -174.223 180.000 -5.777 1.017 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) 170.720 90.000 -80.720 0.584 0.300 2 ( 1 C | 2 N | 2 CA | 2 C ) 170.720 135.000 -35.720 0.270 0.150 4 ( 1 CB | 1 CA | 1 C | 2 N ) -107.760 -180.000 -72.240 0.347 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -107.760 -60.000 47.760 0.540 0.300 3 ( 1 CB | 1 CA | 1 C | 1 O ) 71.830 180.000 108.170 0.492 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 71.830 36.000 -35.830 0.150 0.075 5 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 112.947 180.000 67.053 0.366 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -130.099 -180.000 -49.901 0.133 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -130.099 -90.000 40.099 0.249 0.300 2 ( 2 C | 3 N | 3 CA | 3 C ) -130.099 -180.000 -49.901 0.419 0.225 3 ( 2 C | 3 N | 3 CA | 3 CB ) 107.401 180.000 72.599 0.350 0.500 1 ( 2 C | 3 N | 3 CA | 3 CB ) 107.401 60.000 -47.401 0.537 0.300 3 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) 129.526 180.000 50.474 0.218 0.600 1 ( 4 CD2 | 4 CG | 4 CB | 4 CA ) -50.691 -90.000 -39.309 0.642 0.800 2 ( 3 C | 4 N | 4 CA | 4 C ) -86.180 -180.000 -93.820 0.400 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -86.180 -45.000 41.180 0.295 0.150 4 ( 3 C | 4 N | 4 CA | 4 CB ) 151.255 90.000 -61.255 0.615 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) -110.912 -180.000 -69.088 0.322 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -110.912 -60.000 50.912 0.567 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) 69.150 180.000 110.850 0.508 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) 69.150 36.000 -33.150 0.148 0.075 5 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) -100.984 -180.000 -79.016 0.486 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -106.246 -180.000 -73.754 0.270 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -106.246 -60.000 46.246 0.394 0.225 3 ( 4 C | 5 N | 5 CA | 5 CB ) 130.779 180.000 49.221 0.173 0.500 1 ( 4 C | 5 N | 5 CA | 5 CB ) 130.779 90.000 -40.779 0.341 0.400 2 ( 4 C | 5 N | 5 CA | 5 CB ) 130.779 180.000 49.221 0.553 0.300 3 ( 4 CB | 4 CA | 4 C | 5 N ) -124.287 -180.000 -55.713 0.218 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) -124.287 -90.000 34.287 0.254 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) -124.287 -180.000 -55.713 0.592 0.300 3 ( 4 CB | 4 CA | 4 C | 4 O ) 55.975 180.000 124.025 0.585 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) 55.975 90.000 34.025 0.188 0.300 2 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -60.916 -180.000 -119.084 0.892 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -160.100 -90.000 70.100 0.530 0.300 2 ( 5 C | 6 N | 6 CA | 6 CB ) 76.215 180.000 103.785 0.619 0.500 1 ( 5 C | 6 N | 6 CA | 6 CB ) 76.215 45.000 -31.215 0.314 0.200 4 ( 5 C | 6 N | 6 CA | 6 CB ) 76.215 108.000 31.785 0.193 0.100 5 ( 5 CB | 5 CA | 5 C | 6 N ) -77.968 -180.000 -102.032 0.604 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -77.968 -45.000 32.968 0.333 0.200 4 ( 5 CB | 5 CA | 5 C | 6 N ) -77.968 -108.000 -30.032 0.187 0.100 5 ( 5 CB | 5 CA | 5 C | 5 O ) 102.322 180.000 77.678 0.295 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 102.322 60.000 -42.322 0.360 0.225 3 ( 5 CB | 5 CA | 5 C | 5 O ) 102.322 135.000 32.678 0.248 0.150 4 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) -94.431 -180.000 -85.569 0.554 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -121.652 -180.000 -58.348 0.178 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) -121.652 -90.000 31.652 0.165 0.300 2 ( 6 C | 7 N | 7 CA | 7 C ) -121.652 -180.000 -58.348 0.449 0.225 3 ( 6 C | 7 N | 7 CA | 7 CB ) 115.495 180.000 64.505 0.285 0.500 1 ( 6 C | 7 N | 7 CA | 7 CB ) 115.495 60.000 -55.495 0.592 0.300 3 ( 6 CB | 6 CA | 6 C | 7 N ) -114.901 -180.000 -65.099 0.289 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -114.901 -60.000 54.901 0.589 0.300 3 ( 6 CB | 6 CA | 6 C | 6 O ) 65.224 180.000 114.776 0.532 0.375 1 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) 93.519 180.000 86.481 0.563 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -142.456 -180.000 -37.544 0.078 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -142.456 -90.000 52.456 0.377 0.300 2 ( 7 C | 8 N | 8 CA | 8 C ) -142.456 -180.000 -37.544 0.312 0.225 3 ( 7 C | 8 N | 8 CA | 8 C ) -142.456 -108.000 34.456 0.149 0.075 5 ( 7 C | 8 N | 8 CA | 8 CB ) 94.600 180.000 85.400 0.460 0.500 1 ( 7 C | 8 N | 8 CA | 8 CB ) 94.600 60.000 -34.600 0.372 0.300 3 ( 7 C | 8 N | 8 CA | 8 CB ) 94.600 135.000 40.400 0.390 0.200 4 ( 7 CB | 7 CA | 7 C | 8 N ) -101.846 -180.000 -78.154 0.397 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) -101.846 -60.000 41.846 0.474 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -101.846 -135.000 -33.154 0.335 0.200 4 ( 7 CB | 7 CA | 7 C | 7 O ) 77.537 180.000 102.463 0.456 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) 77.537 45.000 -32.537 0.247 0.150 4 ( 7 CB | 7 CA | 7 C | 7 O ) 77.537 108.000 30.463 0.141 0.075 5 ( 8 C | 9 N | 9 CA | 9 C ) -127.717 -180.000 -52.283 0.146 0.375 1 ( 8 C | 9 N | 9 CA | 9 C ) -127.717 -90.000 37.717 0.225 0.300 2 ( 8 C | 9 N | 9 CA | 9 C ) -127.717 -180.000 -52.283 0.432 0.225 3 ( 8 C | 9 N | 9 CA | 9 CB ) 111.145 180.000 68.855 0.320 0.500 1 ( 8 C | 9 N | 9 CA | 9 CB ) 111.145 60.000 -51.145 0.568 0.300 3 ( 8 CB | 8 CA | 8 C | 9 N ) -97.390 -180.000 -82.610 0.436 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -97.390 -60.000 37.390 0.413 0.300 3 ( 8 CB | 8 CA | 8 C | 9 N ) -97.390 -135.000 -37.610 0.374 0.200 4 ( 8 CB | 8 CA | 8 C | 8 O ) 82.408 180.000 97.592 0.425 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 82.408 45.000 -37.408 0.279 0.150 4 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) -79.833 -180.000 -100.167 0.706 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -93.006 -180.000 -86.994 0.355 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -93.006 -60.000 33.006 0.260 0.225 3 ( 9 C | 10 N | 10 CA | 10 C ) -93.006 -135.000 -41.994 0.297 0.150 4 ( 9 C | 10 N | 10 CA | 10 CB ) 143.780 180.000 36.220 0.097 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 143.780 90.000 -53.780 0.521 0.400 2 ( 9 C | 10 N | 10 CA | 10 CB ) 143.780 180.000 36.220 0.396 0.300 3 ( 9 C | 10 N | 10 CA | 10 CB ) 143.780 108.000 -35.780 0.200 0.100 5 ( 9 CB | 9 CA | 9 C | 10 N ) -87.201 -180.000 -92.799 0.524 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -87.201 -45.000 42.201 0.396 0.200 4 ( 9 CB | 9 CA | 9 C | 9 O ) 92.450 180.000 87.550 0.359 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 92.450 60.000 -32.450 0.254 0.225 3 ( 9 CB | 9 CA | 9 C | 9 O ) 92.450 135.000 42.550 0.298 0.150 4 ( 10 C | 11 N | 11 CA | 11 C ) -87.809 -180.000 -92.191 0.389 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -87.809 -45.000 42.809 0.298 0.150 4 ( 10 C | 11 N | 11 CA | 11 CB ) 149.561 180.000 30.439 0.069 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 149.561 90.000 -59.561 0.595 0.400 2 ( 10 C | 11 N | 11 CA | 11 CB ) 149.561 180.000 30.439 0.307 0.300 3 ( 10 C | 11 N | 11 CA | 11 CB ) 149.561 180.000 30.439 0.188 0.100 5 ( 10 CB | 10 CA | 10 C | 11 N ) 53.644 180.000 126.356 0.796 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) 53.644 90.000 36.356 0.281 0.400 2 ( 10 CB | 10 CA | 10 C | 10 O ) -126.613 -180.000 -53.387 0.151 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) -126.613 -90.000 36.613 0.213 0.300 2 ( 10 CB | 10 CA | 10 C | 10 O ) -126.613 -180.000 -53.387 0.437 0.225 3 ( 11 C | 12 N | 12 CA | 12 C ) -117.446 -180.000 -62.554 0.202 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) -117.446 -60.000 57.446 0.448 0.225 3 ( 11 C | 12 N | 12 CA | 12 CB ) 119.203 180.000 60.797 0.256 0.500 1 ( 11 C | 12 N | 12 CA | 12 CB ) 119.203 60.000 -59.203 0.600 0.300 3 ( 11 CB | 11 CA | 11 C | 12 N ) -122.564 -180.000 -57.436 0.231 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -122.564 -90.000 32.564 0.232 0.400 2 ( 11 CB | 11 CA | 11 C | 12 N ) -122.564 -180.000 -57.436 0.597 0.300 3 ( 11 CB | 11 CA | 11 C | 11 O ) 57.475 180.000 122.525 0.577 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 57.475 90.000 32.525 0.173 0.300 2 ( 12 C | 13 N | 13 CA | 13 C ) 65.235 180.000 114.765 0.532 0.375 1 ( 12 C | 13 N | 13 CA | 13 CB ) -58.105 -180.000 -121.895 0.764 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) -58.105 -90.000 -31.895 0.223 0.400 2 ( 12 CB | 12 CA | 12 C | 13 N ) -149.823 -180.000 -30.177 0.068 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -149.823 -90.000 59.823 0.598 0.400 2 ( 12 CB | 12 CA | 12 C | 13 N ) -149.823 -180.000 -30.177 0.303 0.300 3 ( 12 CB | 12 CA | 12 C | 13 N ) -149.823 -180.000 -30.177 0.187 0.100 5 ( 12 CB | 12 CA | 12 C | 12 O ) 31.140 180.000 148.860 0.696 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) 31.140 90.000 58.860 0.440 0.300 2 ( 13 CB | 13 CA | 13 C | 14 N ) -98.957 -180.000 -81.043 0.422 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -98.957 -60.000 38.957 0.436 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -98.957 -135.000 -36.043 0.362 0.200 4 ( 13 CB | 13 CA | 13 C | 13 O ) 80.833 180.000 99.167 0.435 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 80.833 45.000 -35.833 0.270 0.150 4 ( 14 C | 15 N | 15 CA | 15 C ) -150.544 -90.000 60.544 0.455 0.300 2 ( 14 C | 15 N | 15 CA | 15 CB ) 87.056 180.000 92.944 0.526 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 87.056 45.000 -42.056 0.396 0.200 4 ( 14 CB | 14 CA | 14 C | 15 N ) -68.730 -180.000 -111.270 0.681 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -68.730 -36.000 32.730 0.196 0.100 5 ( 14 CB | 14 CA | 14 C | 14 O ) 111.760 180.000 68.240 0.236 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 111.760 60.000 -51.760 0.429 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -97.804 -180.000 -82.196 0.324 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -97.804 -60.000 37.804 0.314 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -97.804 -135.000 -37.196 0.278 0.150 4 ( 15 C | 16 N | 16 CA | 16 CB ) 139.154 180.000 40.846 0.122 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 139.154 90.000 -49.154 0.458 0.400 2 ( 15 C | 16 N | 16 CA | 16 CB ) 139.154 180.000 40.846 0.461 0.300 3 ( 15 C | 16 N | 16 CA | 16 CB ) 139.154 108.000 -31.154 0.191 0.100 5 ( 15 CB | 15 CA | 15 C | 16 N ) -115.268 -180.000 -64.732 0.287 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) -115.268 -60.000 55.268 0.591 0.300 3 ( 15 CB | 15 CA | 15 C | 15 O ) 64.641 180.000 115.359 0.536 0.375 1 ( 17 CZ | 17 NE | 17 CD | 17 CG ) -80.588 -180.000 -99.412 2.327 2.000 1 ( 16 C | 17 N | 17 CA | 17 C ) -115.949 -180.000 -64.051 0.211 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -115.949 -60.000 55.949 0.445 0.225 3 ( 16 C | 17 N | 17 CA | 17 CB ) 121.952 180.000 58.048 0.235 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 121.952 90.000 -31.952 0.224 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 121.952 180.000 58.048 0.598 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -78.698 -180.000 -101.302 0.598 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -78.698 -45.000 33.698 0.341 0.200 4 ( 16 CB | 16 CA | 16 C | 16 O ) 100.741 180.000 79.259 0.305 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 100.741 60.000 -40.741 0.345 0.225 3 ( 16 CB | 16 CA | 16 C | 16 O ) 100.741 135.000 34.259 0.260 0.150 4 ( 17 C | 18 N | 18 CA | 18 C ) 145.420 180.000 34.580 0.066 0.375 1 ( 17 C | 18 N | 18 CA | 18 C ) 145.420 90.000 -55.420 0.407 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) 145.420 180.000 34.580 0.278 0.225 3 ( 17 C | 18 N | 18 CA | 18 C ) 145.420 180.000 34.580 0.149 0.075 5 ( 17 CB | 17 CA | 17 C | 18 N ) -104.787 -180.000 -75.213 0.372 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -104.787 -60.000 44.787 0.510 0.300 3 ( 17 CB | 17 CA | 17 C | 18 N ) -104.787 -135.000 -30.213 0.303 0.200 4 ( 17 CB | 17 CA | 17 C | 17 O ) 75.340 180.000 104.660 0.470 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 75.340 45.000 -30.340 0.228 0.150 4 ( 17 CB | 17 CA | 17 C | 17 O ) 75.340 108.000 32.660 0.147 0.075 5 ( 18 C | 19 N | 19 CA | 19 C ) -105.224 -180.000 -74.776 0.277 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -105.224 -60.000 45.224 0.386 0.225 3 ( 18 C | 19 N | 19 CA | 19 CB ) 131.832 180.000 48.168 0.167 0.500 1 ( 18 C | 19 N | 19 CA | 19 CB ) 131.832 90.000 -41.832 0.356 0.400 2 ( 18 C | 19 N | 19 CA | 19 CB ) 131.832 180.000 48.168 0.544 0.300 3 ( 19 C | 20 N | 20 CA | 20 C ) -148.620 -180.000 -31.380 0.055 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -148.620 -90.000 58.620 0.437 0.300 2 ( 19 C | 20 N | 20 CA | 20 C ) -148.620 -180.000 -31.380 0.241 0.225 3 ( 19 C | 20 N | 20 CA | 20 C ) -148.620 -180.000 -31.380 0.144 0.075 5 ( 19 C | 20 N | 20 CA | 20 CB ) 88.470 180.000 91.530 0.513 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 88.470 45.000 -43.470 0.399 0.200 4 ( 19 CB | 19 CA | 19 C | 20 N ) -84.896 -180.000 -95.104 0.544 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -84.896 -45.000 39.896 0.387 0.200 4 ( 19 CB | 19 CA | 19 C | 19 O ) 95.292 180.000 84.708 0.340 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 95.292 60.000 -35.292 0.287 0.225 3 ( 19 CB | 19 CA | 19 C | 19 O ) 95.292 135.000 39.708 0.290 0.150 4 ( 20 C | 21 N | 21 CA | 21 C ) -117.309 -180.000 -62.691 0.203 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) -117.309 -60.000 57.309 0.448 0.225 3 ( 20 CB | 20 CA | 20 C | 21 N ) -60.585 -180.000 -119.415 0.746 0.500 1 ( 20 CB | 20 CA | 20 C | 20 O ) 117.986 180.000 62.014 0.199 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 117.986 60.000 -57.986 0.449 0.225 3 ( 21 C | 22 N | 22 CA | 22 C ) -72.469 -180.000 -107.531 0.488 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -72.469 -108.000 -35.531 0.150 0.075 5 ( 21 C | 22 N | 22 CA | 22 CB ) 165.493 90.000 -75.493 0.750 0.400 2 ( 21 C | 22 N | 22 CA | 22 CB ) 165.493 135.000 -30.493 0.306 0.200 4 ( 22 C | 23 N | 23 CA | 23 C ) -55.276 -180.000 -124.724 0.589 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -55.276 -90.000 -34.724 0.195 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -177.430 -90.000 87.430 0.798 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -177.430 -135.000 42.430 0.397 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -79.598 -180.000 -100.402 0.590 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -79.598 -45.000 34.598 0.350 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 99.297 180.000 80.703 0.314 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 99.297 60.000 -39.297 0.330 0.225 3 ( 22 CB | 22 CA | 22 C | 22 O ) 99.297 135.000 35.703 0.270 0.150 4 ( 24 CG | 24 CB | 24 CA | 24 N ) 26.026 60.000 33.974 2.413 2.000 3 ( 23 C | 24 N | 24 CA | 24 C ) -54.458 -180.000 -125.542 0.593 0.375 1 ( 23 C | 24 N | 24 CA | 24 C ) -54.458 -90.000 -35.542 0.203 0.300 2 ( 23 C | 24 N | 24 CA | 24 CB ) -178.077 -90.000 88.077 0.799 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) -178.077 -135.000 43.077 0.398 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 66.685 180.000 113.315 0.698 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 66.685 36.000 -30.685 0.189 0.100 5 ( 23 CB | 23 CA | 23 C | 23 O ) -112.740 -180.000 -67.260 0.230 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -112.740 -60.000 52.740 0.434 0.225 3 ( 25 OE1 | 25 CD | 25 CG | 25 CB ) -165.871 -90.000 75.871 1.881 1.000 2 ( 24 C | 25 N | 25 CA | 25 C ) -51.171 -180.000 -128.829 0.610 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -51.171 -90.000 -38.829 0.236 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -173.456 -90.000 83.456 0.790 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -173.456 -135.000 38.456 0.379 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 75.774 180.000 104.226 0.623 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 75.774 45.000 -30.774 0.309 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 75.774 108.000 32.226 0.195 0.100 5 ( 24 CB | 24 CA | 24 C | 24 O ) -104.260 -180.000 -75.740 0.283 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -104.260 -60.000 44.260 0.378 0.225 3 ( 24 CB | 24 CA | 24 C | 24 O ) -104.260 -135.000 -30.740 0.232 0.150 4 ( 26 CZ | 26 NE | 26 CD | 26 CG ) 97.667 180.000 82.333 1.733 2.000 1 ( 25 C | 26 N | 26 CA | 26 C ) -63.964 -180.000 -116.036 0.540 0.375 1 ( 25 C | 26 N | 26 CA | 26 CB ) 173.812 90.000 -83.812 0.791 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 173.812 135.000 -38.812 0.382 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 75.285 180.000 104.715 0.627 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 75.285 45.000 -30.285 0.303 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 75.285 108.000 32.715 0.196 0.100 5 ( 25 CB | 25 CA | 25 C | 25 O ) -105.706 -180.000 -74.294 0.273 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -105.706 -60.000 45.706 0.390 0.225 3 ( 26 C | 27 N | 27 CA | 27 C ) -71.986 -180.000 -108.014 0.491 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -71.986 -36.000 35.986 0.150 0.075 5 ( 26 C | 27 N | 27 CA | 27 CB ) 165.402 90.000 -75.402 0.749 0.400 2 ( 26 C | 27 N | 27 CA | 27 CB ) 165.402 135.000 -30.402 0.305 0.200 4 ( 26 CB | 26 CA | 26 C | 27 N ) 86.803 180.000 93.197 0.528 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 86.803 45.000 -41.803 0.395 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -92.673 -180.000 -87.327 0.358 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -92.673 -60.000 32.673 0.256 0.225 3 ( 26 CB | 26 CA | 26 C | 26 O ) -92.673 -135.000 -42.327 0.297 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -59.628 -180.000 -120.372 0.565 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -59.628 -90.000 -30.372 0.153 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) 177.324 90.000 -87.324 0.798 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 177.324 135.000 -42.324 0.397 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 85.020 180.000 94.980 0.543 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 85.020 45.000 -40.020 0.388 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -95.615 -180.000 -84.385 0.338 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -95.615 -60.000 35.615 0.290 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -95.615 -135.000 -39.385 0.289 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -64.830 -180.000 -115.170 0.534 0.375 1 ( 28 C | 29 N | 29 CA | 29 CB ) 170.373 90.000 -80.373 0.778 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 170.373 135.000 -35.373 0.357 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 65.513 180.000 114.487 0.707 0.500 1 ( 28 CB | 28 CA | 28 C | 28 O ) -114.826 -180.000 -65.174 0.218 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -114.826 -60.000 54.826 0.442 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -70.210 -180.000 -109.790 0.502 0.375 1 ( 29 C | 30 N | 30 CA | 30 C ) -70.210 -36.000 34.210 0.149 0.075 5 ( 29 C | 30 N | 30 CA | 30 CB ) 166.910 90.000 -76.910 0.759 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 166.910 135.000 -31.910 0.322 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 97.690 180.000 82.310 0.433 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 97.690 60.000 -37.690 0.418 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 97.690 135.000 37.310 0.372 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -83.018 -180.000 -96.982 0.421 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -83.018 -45.000 38.018 0.283 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -87.351 -180.000 -92.649 0.392 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -87.351 -45.000 42.351 0.297 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 150.244 90.000 -60.244 0.603 0.400 2 ( 30 CB | 30 CA | 30 C | 31 N ) 79.418 180.000 100.582 0.592 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 79.418 45.000 -34.418 0.348 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -101.129 -180.000 -78.871 0.303 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -101.129 -60.000 41.129 0.349 0.225 3 ( 30 CB | 30 CA | 30 C | 30 O ) -101.129 -135.000 -33.871 0.257 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 61.847 180.000 118.153 0.552 0.375 1 ( 31 C | 32 N | 32 CA | 32 CB ) -61.468 -180.000 -118.532 0.739 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 136.860 180.000 43.140 0.135 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 136.860 90.000 -46.860 0.426 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 136.860 180.000 43.140 0.491 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -42.917 -180.000 -137.083 0.650 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -42.917 -90.000 -47.083 0.322 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -92.472 -180.000 -87.528 0.359 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -92.472 -60.000 32.472 0.254 0.225 3 ( 32 C | 33 N | 33 CA | 33 C ) -92.472 -135.000 -42.528 0.298 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 145.378 180.000 34.622 0.089 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 145.378 90.000 -55.378 0.542 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 145.378 180.000 34.622 0.372 0.300 3 ( 32 C | 33 N | 33 CA | 33 CB ) 145.378 180.000 34.622 0.199 0.100 5 ( 32 CB | 32 CA | 32 C | 33 N ) 176.943 90.000 -86.943 0.798 0.400 2 ( 32 CB | 32 CA | 32 C | 33 N ) 176.943 135.000 -41.943 0.395 0.200 4 ( 32 CB | 32 CA | 32 C | 32 O ) -2.275 -180.000 -177.725 0.750 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) -2.275 -90.000 -87.725 0.599 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) -2.275 -60.000 -57.725 0.448 0.225 3 ( 32 CB | 32 CA | 32 C | 32 O ) -2.275 -45.000 -42.725 0.298 0.150 4 ( 32 CB | 32 CA | 32 C | 32 O ) -2.275 -36.000 -33.725 0.149 0.075 5 ( 33 CB | 33 CA | 33 C | 34 N ) -124.656 -180.000 -55.344 0.216 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -124.656 -90.000 34.656 0.259 0.400 2 ( 33 CB | 33 CA | 33 C | 34 N ) -124.656 -180.000 -55.344 0.591 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 55.727 180.000 124.273 0.586 0.375 1 ( 33 CB | 33 CA | 33 C | 33 O ) 55.727 90.000 34.273 0.190 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -113.821 -180.000 -66.179 0.224 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -113.821 -60.000 53.821 0.438 0.225 3 ( 34 C | 35 N | 35 CA | 35 CB ) 122.064 180.000 57.936 0.235 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 122.064 90.000 -32.064 0.225 0.400 2 ( 34 C | 35 N | 35 CA | 35 CB ) 122.064 180.000 57.936 0.598 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 102.532 180.000 77.468 0.392 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 102.532 60.000 -42.532 0.483 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 102.532 135.000 32.468 0.328 0.200 4 ( 34 CB | 34 CA | 34 C | 34 O ) -77.405 -180.000 -102.595 0.457 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -77.405 -45.000 32.405 0.246 0.150 4 ( 34 CB | 34 CA | 34 C | 34 O ) -77.405 -108.000 -30.595 0.142 0.075 5 ( 35 CB | 35 CA | 35 C | 36 N ) -92.092 -180.000 -87.908 0.482 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -92.092 -60.000 32.092 0.333 0.300 3 ( 35 CB | 35 CA | 35 C | 36 N ) -92.092 -135.000 -42.908 0.398 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 87.443 180.000 92.557 0.392 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 87.443 45.000 -42.443 0.298 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -64.131 -180.000 -115.869 0.539 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 173.682 90.000 -83.682 0.790 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 173.682 135.000 -38.682 0.381 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -96.687 -180.000 -83.313 0.442 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -96.687 -60.000 36.687 0.403 0.300 3 ( 36 CB | 36 CA | 36 C | 37 N ) -96.687 -135.000 -38.313 0.379 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 81.345 180.000 98.655 0.431 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 81.345 45.000 -36.345 0.273 0.150 4 ( 37 C | 38 N | 38 CA | 38 C ) -56.987 -180.000 -123.013 0.579 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -56.987 -90.000 -33.013 0.178 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -179.615 -90.000 89.615 0.800 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -179.615 -135.000 44.615 0.400 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 90.343 180.000 89.657 0.497 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 90.343 60.000 -30.343 0.305 0.300 3 ( 37 CB | 37 CA | 37 C | 38 N ) 90.343 135.000 44.657 0.400 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -89.562 -180.000 -90.438 0.378 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -89.562 -45.000 44.562 0.300 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -69.319 -180.000 -110.681 0.507 0.375 1 ( 38 C | 39 N | 39 CA | 39 C ) -69.319 -36.000 33.319 0.148 0.075 5 ( 38 C | 39 N | 39 CA | 39 CB ) 167.877 90.000 -77.877 0.765 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 167.877 135.000 -32.877 0.333 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 87.163 180.000 92.837 0.525 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 87.163 45.000 -42.163 0.396 0.200 4 ( 38 CB | 38 CA | 38 C | 38 O ) -92.819 -180.000 -87.181 0.357 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -92.819 -60.000 32.819 0.258 0.225 3 ( 38 CB | 38 CA | 38 C | 38 O ) -92.819 -135.000 -42.181 0.297 0.150 4 ( 39 C | 40 N | 40 CA | 40 C ) -55.123 -180.000 -124.877 0.589 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -55.123 -90.000 -34.877 0.196 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -176.223 -90.000 86.223 0.797 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -176.223 -135.000 41.223 0.393 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 79.747 180.000 100.253 0.589 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 79.747 45.000 -34.747 0.351 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -101.772 -180.000 -78.228 0.298 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -101.772 -60.000 41.772 0.355 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -101.772 -135.000 -33.228 0.252 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -69.583 -180.000 -110.417 0.506 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -69.583 -36.000 33.583 0.148 0.075 5 ( 40 C | 41 N | 41 CA | 41 CB ) 168.677 90.000 -78.677 0.769 0.400 2 ( 40 C | 41 N | 41 CA | 41 CB ) 168.677 135.000 -33.677 0.341 0.200 4 ( 40 CB | 40 CA | 40 C | 41 N ) 73.677 180.000 106.323 0.641 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 73.677 108.000 34.323 0.199 0.100 5 ( 40 CB | 40 CA | 40 C | 40 O ) -106.393 -180.000 -73.607 0.269 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -106.393 -60.000 46.393 0.395 0.225 3 ( 41 C | 42 N | 42 CA | 42 C ) -88.585 -180.000 -91.415 0.384 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -88.585 -45.000 43.585 0.299 0.150 4 ( 41 C | 42 N | 42 CA | 42 CB ) 146.895 180.000 33.105 0.081 0.500 1 ( 41 C | 42 N | 42 CA | 42 CB ) 146.895 90.000 -56.895 0.561 0.400 2 ( 41 C | 42 N | 42 CA | 42 CB ) 146.895 180.000 33.105 0.349 0.300 3 ( 41 C | 42 N | 42 CA | 42 CB ) 146.895 180.000 33.105 0.197 0.100 5 ( 41 CB | 41 CA | 41 C | 42 N ) 87.146 180.000 92.854 0.525 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 87.146 45.000 -42.146 0.396 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -92.942 -180.000 -87.058 0.356 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -92.942 -60.000 32.942 0.260 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -92.942 -135.000 -42.058 0.297 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -88.810 -180.000 -91.190 0.383 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -88.810 -45.000 43.810 0.299 0.150 4 ( 42 C | 43 N | 43 CA | 43 CB ) 148.581 180.000 31.419 0.073 0.500 1 ( 42 C | 43 N | 43 CA | 43 CB ) 148.581 90.000 -58.581 0.583 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 148.581 180.000 31.419 0.322 0.300 3 ( 42 C | 43 N | 43 CA | 43 CB ) 148.581 180.000 31.419 0.192 0.100 5 ( 42 CB | 42 CA | 42 C | 43 N ) 120.864 180.000 59.136 0.243 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 120.864 90.000 -30.864 0.211 0.400 2 ( 42 CB | 42 CA | 42 C | 43 N ) 120.864 180.000 59.136 0.600 0.300 3 ( 42 CB | 42 CA | 42 C | 42 O ) -59.732 -180.000 -120.268 0.564 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -59.732 -90.000 -30.268 0.152 0.300 2 ( 43 CB | 43 CA | 43 C | 44 N ) -99.906 -180.000 -80.094 0.414 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -99.906 -60.000 39.906 0.449 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -99.906 -135.000 -35.094 0.354 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 82.033 180.000 97.967 0.427 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 82.033 45.000 -37.033 0.277 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -49.105 -180.000 -130.895 0.621 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -49.105 -90.000 -40.895 0.257 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -172.875 -90.000 82.875 0.788 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -172.875 -135.000 37.875 0.376 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -74.645 -180.000 -105.355 0.632 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -74.645 -108.000 -33.355 0.197 0.100 5 ( 44 CB | 44 CA | 44 C | 44 O ) 104.220 180.000 75.780 0.283 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 104.220 60.000 -44.220 0.377 0.225 3 ( 44 CB | 44 CA | 44 C | 44 O ) 104.220 135.000 30.780 0.232 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -62.394 -180.000 -117.606 0.549 0.375 1 ( 45 C | 46 N | 46 CA | 46 CB ) 174.750 90.000 -84.750 0.793 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 174.750 135.000 -39.750 0.387 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 77.929 180.000 102.071 0.605 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 77.929 45.000 -32.929 0.333 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 77.929 108.000 30.071 0.187 0.100 5 ( 45 CB | 45 CA | 45 C | 45 O ) -103.818 -180.000 -76.182 0.285 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -103.818 -60.000 43.818 0.374 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -103.818 -135.000 -31.182 0.235 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -56.562 -180.000 -123.438 0.582 0.375 1 ( 46 C | 47 N | 47 CA | 47 C ) -56.562 -90.000 -33.438 0.182 0.300 2 ( 46 C | 47 N | 47 CA | 47 CB ) -179.144 -90.000 89.144 0.800 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) -179.144 -135.000 44.144 0.400 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 59.477 180.000 120.523 0.754 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 59.477 90.000 30.523 0.206 0.400 2 ( 46 CB | 46 CA | 46 C | 46 O ) -121.198 -180.000 -58.802 0.181 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -121.198 -90.000 31.198 0.161 0.300 2 ( 46 CB | 46 CA | 46 C | 46 O ) -121.198 -180.000 -58.802 0.450 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -62.777 -180.000 -117.223 0.547 0.375 1 ( 47 C | 48 N | 48 CA | 48 CB ) 174.937 90.000 -84.937 0.794 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 174.937 135.000 -39.937 0.388 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 88.549 180.000 91.451 0.513 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 88.549 45.000 -43.549 0.399 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -91.680 -180.000 -88.320 0.364 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -91.680 -60.000 31.680 0.245 0.225 3 ( 47 CB | 47 CA | 47 C | 47 O ) -91.680 -135.000 -43.320 0.299 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -61.532 -180.000 -118.468 0.554 0.375 1 ( 48 C | 49 N | 49 CA | 49 CB ) 175.904 90.000 -85.904 0.796 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 175.904 135.000 -40.904 0.392 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 69.810 180.000 110.190 0.673 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 69.810 36.000 -33.810 0.198 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -110.326 -180.000 -69.674 0.245 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -110.326 -60.000 50.326 0.422 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -72.838 -180.000 -107.162 0.486 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -72.838 -108.000 -35.162 0.150 0.075 5 ( 49 C | 50 N | 50 CA | 50 CB ) 164.985 90.000 -74.985 0.746 0.400 2 ( 49 CB | 49 CA | 49 C | 50 N ) 93.234 180.000 86.766 0.472 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 93.234 60.000 -33.234 0.351 0.300 3 ( 49 CB | 49 CA | 49 C | 50 N ) 93.234 135.000 41.766 0.395 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -86.365 -180.000 -93.635 0.399 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -86.365 -45.000 41.365 0.295 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -52.743 -180.000 -127.257 0.602 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -52.743 -90.000 -37.257 0.220 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -174.249 -90.000 84.249 0.792 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -174.249 -135.000 39.249 0.384 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 81.409 180.000 98.591 0.575 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 81.409 45.000 -36.409 0.365 0.200 4 ( 50 CB | 50 CA | 50 C | 50 O ) -99.205 -180.000 -80.795 0.315 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -99.205 -60.000 39.205 0.329 0.225 3 ( 50 CB | 50 CA | 50 C | 50 O ) -99.205 -135.000 -35.795 0.270 0.150 4 ( 51 C | 52 N | 52 CA | 52 C ) -57.371 -180.000 -122.629 0.577 0.375 1 ( 51 C | 52 N | 52 CA | 52 C ) -57.371 -90.000 -32.629 0.174 0.300 2 ( 51 C | 52 N | 52 CA | 52 CB ) -179.213 -90.000 89.213 0.800 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) -179.213 -135.000 44.213 0.400 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 73.538 180.000 106.462 0.642 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 73.538 108.000 34.462 0.199 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -107.189 -180.000 -72.811 0.264 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -107.189 -60.000 47.189 0.401 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -78.431 -180.000 -101.569 0.450 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -78.431 -45.000 33.431 0.254 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 158.385 90.000 -68.385 0.691 0.400 2 ( 52 CB | 52 CA | 52 C | 53 N ) 84.552 180.000 95.448 0.547 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 84.552 45.000 -39.552 0.386 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -96.136 -180.000 -83.864 0.335 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -96.136 -60.000 36.136 0.296 0.225 3 ( 52 CB | 52 CA | 52 C | 52 O ) -96.136 -135.000 -38.864 0.286 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -89.117 -180.000 -90.883 0.381 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -89.117 -45.000 44.117 0.300 0.150 4 ( 53 C | 54 N | 54 CA | 54 CB ) 148.059 180.000 31.941 0.076 0.500 1 ( 53 C | 54 N | 54 CA | 54 CB ) 148.059 90.000 -58.059 0.576 0.400 2 ( 53 C | 54 N | 54 CA | 54 CB ) 148.059 180.000 31.941 0.330 0.300 3 ( 53 C | 54 N | 54 CA | 54 CB ) 148.059 180.000 31.941 0.194 0.100 5 ( 53 CB | 53 CA | 53 C | 54 N ) 104.728 180.000 75.272 0.373 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 104.728 60.000 -44.728 0.509 0.300 3 ( 53 CB | 53 CA | 53 C | 54 N ) 104.728 135.000 30.272 0.303 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -75.321 -180.000 -104.679 0.470 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -75.321 -45.000 30.321 0.228 0.150 4 ( 53 CB | 53 CA | 53 C | 53 O ) -75.321 -108.000 -32.679 0.147 0.075 5 ( 54 C | 55 N | 55 CA | 55 C ) -129.711 -180.000 -50.289 0.135 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -129.711 -90.000 39.711 0.245 0.300 2 ( 54 C | 55 N | 55 CA | 55 C ) -129.711 -180.000 -50.289 0.422 0.225 3 ( 54 C | 55 N | 55 CA | 55 CB ) 107.599 180.000 72.401 0.349 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 107.599 60.000 -47.599 0.539 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 118.921 180.000 61.079 0.258 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 118.921 60.000 -58.921 0.600 0.300 3 ( 54 CB | 54 CA | 54 C | 54 O ) -60.833 -180.000 -119.167 0.558 0.375 1 ( 55 CB | 55 CA | 55 C | 56 N ) -99.826 -180.000 -80.174 0.415 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -99.826 -60.000 39.826 0.448 0.300 3 ( 55 CB | 55 CA | 55 C | 56 N ) -99.826 -135.000 -35.174 0.355 0.200 4 ( 55 CB | 55 CA | 55 C | 55 O ) 80.408 180.000 99.592 0.437 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 80.408 45.000 -35.408 0.268 0.150 4 ( 56 C | 57 N | 57 CA | 57 C ) -103.043 -180.000 -76.957 0.290 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -103.043 -60.000 43.043 0.367 0.225 3 ( 56 C | 57 N | 57 CA | 57 C ) -103.043 -135.000 -31.957 0.242 0.150 4 ( 56 C | 57 N | 57 CA | 57 CB ) 134.904 180.000 45.096 0.147 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 134.904 90.000 -44.904 0.399 0.400 2 ( 56 C | 57 N | 57 CA | 57 CB ) 134.904 180.000 45.096 0.513 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -170.129 -90.000 80.129 0.776 0.400 2 ( 56 CB | 56 CA | 56 C | 57 N ) -170.129 -135.000 35.129 0.354 0.200 4 ( 56 CB | 56 CA | 56 C | 56 O ) 10.746 180.000 169.254 0.743 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 10.746 90.000 79.254 0.579 0.300 2 ( 56 CB | 56 CA | 56 C | 56 O ) 10.746 60.000 49.254 0.415 0.225 3 ( 56 CB | 56 CA | 56 C | 56 O ) 10.746 45.000 34.254 0.260 0.150 4 ( 57 C | 58 N | 58 CA | 58 C ) -85.826 -180.000 -94.174 0.402 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -85.826 -45.000 40.826 0.294 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 153.388 90.000 -63.388 0.639 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -87.894 -180.000 -92.106 0.518 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -87.894 -45.000 42.894 0.398 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 92.286 180.000 87.714 0.360 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 92.286 60.000 -32.286 0.252 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 92.286 135.000 42.714 0.298 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -49.130 -180.000 -130.870 0.620 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -49.130 -90.000 -40.870 0.257 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -172.059 -90.000 82.059 0.785 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -172.059 -135.000 37.059 0.370 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -79.640 -180.000 -100.360 0.590 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -79.640 -45.000 34.640 0.350 0.200 4 ( 58 CB | 58 CA | 58 C | 58 O ) 99.538 180.000 80.462 0.313 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 99.538 60.000 -39.538 0.333 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 99.538 135.000 35.462 0.268 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -63.351 -180.000 -116.649 0.543 0.375 1 ( 59 C | 60 N | 60 CA | 60 CB ) 174.988 90.000 -84.988 0.794 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 174.988 135.000 -39.988 0.388 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 85.843 180.000 94.157 0.536 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 85.843 45.000 -40.843 0.392 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -95.412 -180.000 -84.588 0.340 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -95.412 -60.000 35.412 0.288 0.225 3 ( 59 CB | 59 CA | 59 C | 59 O ) -95.412 -135.000 -39.588 0.289 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -65.922 -180.000 -114.078 0.528 0.375 1 ( 60 C | 61 N | 61 CA | 61 CB ) 170.918 90.000 -80.918 0.780 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 170.918 135.000 -35.918 0.361 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 79.760 180.000 100.240 0.589 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 79.760 45.000 -34.760 0.351 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -100.377 -180.000 -79.623 0.307 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -100.377 -60.000 40.377 0.341 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -100.377 -135.000 -34.623 0.262 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -58.259 -180.000 -121.741 0.572 0.375 1 ( 61 C | 62 N | 62 CA | 62 C ) -58.259 -90.000 -31.741 0.166 0.300 2 ( 61 C | 62 N | 62 CA | 62 CB ) 179.076 90.000 -89.076 0.800 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 179.076 135.000 -44.076 0.400 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 78.183 180.000 101.817 0.602 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 78.183 45.000 -33.183 0.336 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -102.464 -180.000 -77.536 0.294 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -102.464 -60.000 42.464 0.362 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -102.464 -135.000 -32.536 0.247 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -61.341 -180.000 -118.659 0.555 0.375 1 ( 62 C | 63 N | 63 CA | 63 CB ) 175.525 90.000 -85.525 0.795 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 175.525 135.000 -40.525 0.390 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 88.437 180.000 91.563 0.514 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 88.437 45.000 -43.437 0.399 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -90.862 -180.000 -89.138 0.369 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -90.862 -60.000 30.862 0.235 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -90.862 -135.000 -44.138 0.300 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -61.520 -180.000 -118.480 0.554 0.375 1 ( 63 C | 64 N | 64 CA | 64 CB ) 176.400 90.000 -86.400 0.797 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 176.400 135.000 -41.400 0.394 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 76.400 180.000 103.600 0.618 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 76.400 45.000 -31.400 0.316 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 76.400 108.000 31.600 0.193 0.100 5 ( 63 CB | 63 CA | 63 C | 63 O ) -104.831 -180.000 -75.169 0.279 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -104.831 -60.000 44.831 0.383 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -104.831 -135.000 -30.169 0.227 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -56.431 -180.000 -123.569 0.582 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -56.431 -90.000 -33.569 0.183 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -178.992 -90.000 88.992 0.800 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -178.992 -135.000 43.992 0.400 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 74.923 180.000 105.077 0.630 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 74.923 108.000 33.077 0.197 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -104.406 -180.000 -75.594 0.282 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -104.406 -60.000 44.406 0.379 0.225 3 ( 64 CB | 64 CA | 64 C | 64 O ) -104.406 -135.000 -30.594 0.230 0.150 4 ( 65 C | 66 N | 66 CA | 66 C ) -66.935 -180.000 -113.065 0.522 0.375 1 ( 65 C | 66 N | 66 CA | 66 C ) -66.935 -36.000 30.935 0.143 0.075 5 ( 65 C | 66 N | 66 CA | 66 CB ) 169.798 90.000 -79.798 0.775 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 169.798 135.000 -34.798 0.351 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 80.924 180.000 99.076 0.579 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 80.924 45.000 -35.924 0.361 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -99.877 -180.000 -80.123 0.311 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -99.877 -60.000 39.877 0.336 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -99.877 -135.000 -35.123 0.266 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -61.602 -180.000 -118.398 0.553 0.375 1 ( 66 C | 67 N | 67 CA | 67 CB ) 176.383 90.000 -86.383 0.797 0.400 2 ( 66 C | 67 N | 67 CA | 67 CB ) 176.383 135.000 -41.383 0.394 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 86.346 180.000 93.654 0.532 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 86.346 45.000 -41.346 0.394 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -93.596 -180.000 -86.404 0.351 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -93.596 -60.000 33.596 0.267 0.225 3 ( 66 CB | 66 CA | 66 C | 66 O ) -93.596 -135.000 -41.404 0.295 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -60.498 -180.000 -119.502 0.560 0.375 1 ( 67 C | 68 N | 68 CA | 68 CB ) 176.869 90.000 -86.869 0.798 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 176.869 135.000 -41.869 0.395 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 71.742 180.000 108.258 0.657 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 71.742 36.000 -35.742 0.200 0.100 5 ( 67 CB | 67 CA | 67 C | 67 O ) -108.508 -180.000 -71.492 0.256 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -108.508 -60.000 48.508 0.410 0.225 3 ( 69 CZ | 69 NE | 69 CD | 69 CG ) 93.703 180.000 86.297 1.871 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -65.127 -180.000 -114.873 0.533 0.375 1 ( 68 C | 69 N | 69 CA | 69 CB ) 172.102 90.000 -82.102 0.785 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 172.102 135.000 -37.102 0.370 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 80.438 180.000 99.562 0.583 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 80.438 45.000 -35.438 0.357 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -99.841 -180.000 -80.159 0.311 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -99.841 -60.000 39.841 0.336 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -99.841 -135.000 -35.159 0.266 0.150 4 ( 69 C | 70 N | 70 CA | 70 C ) -58.967 -180.000 -121.033 0.568 0.375 1 ( 69 C | 70 N | 70 CA | 70 C ) -58.967 -90.000 -31.033 0.159 0.300 2 ( 69 C | 70 N | 70 CA | 70 CB ) 178.991 90.000 -88.991 0.800 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 178.991 135.000 -43.991 0.400 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 82.347 180.000 97.653 0.567 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 82.347 45.000 -37.347 0.372 0.200 4 ( 69 CB | 69 CA | 69 C | 69 O ) -97.876 -180.000 -82.124 0.324 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -97.876 -60.000 37.876 0.315 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -97.876 -135.000 -37.124 0.278 0.150 4 ( 71 CZ | 71 NE | 71 CD | 71 CG ) 105.515 180.000 74.485 1.465 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -66.594 -180.000 -113.406 0.524 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -66.594 -36.000 30.594 0.142 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 170.669 90.000 -80.669 0.779 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) 170.669 135.000 -35.669 0.359 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 60.984 180.000 119.016 0.743 0.500 1 ( 70 CB | 70 CA | 70 C | 70 O ) -118.989 -180.000 -61.011 0.193 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -118.989 -60.000 58.989 0.450 0.225 3 ( 71 C | 72 N | 72 CA | 72 C ) -62.572 -180.000 -117.428 0.548 0.375 1 ( 71 CB | 71 CA | 71 C | 72 N ) 86.207 180.000 93.793 0.533 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 86.207 45.000 -41.207 0.393 0.200 4 ( 71 CB | 71 CA | 71 C | 71 O ) -93.952 -180.000 -86.048 0.349 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -93.952 -60.000 33.952 0.271 0.225 3 ( 71 CB | 71 CA | 71 C | 71 O ) -93.952 -135.000 -41.048 0.294 0.150 4 ( 72 C | 73 N | 73 CA | 73 C ) -68.292 -180.000 -111.708 0.514 0.375 1 ( 72 C | 73 N | 73 CA | 73 C ) -68.292 -36.000 32.292 0.146 0.075 5 ( 72 C | 73 N | 73 CA | 73 CB ) 169.182 90.000 -79.182 0.772 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 169.182 135.000 -34.182 0.346 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -61.365 -180.000 -118.635 0.555 0.375 1 ( 73 C | 74 N | 74 CA | 74 CB ) 176.416 90.000 -86.416 0.797 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) 176.416 135.000 -41.416 0.394 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 88.055 180.000 91.945 0.517 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 88.055 45.000 -43.055 0.398 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -92.447 -180.000 -87.553 0.359 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -92.447 -60.000 32.447 0.254 0.225 3 ( 73 CB | 73 CA | 73 C | 73 O ) -92.447 -135.000 -42.553 0.298 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -59.200 -180.000 -120.800 0.567 0.375 1 ( 74 C | 75 N | 75 CA | 75 C ) -59.200 -90.000 -30.800 0.157 0.300 2 ( 74 C | 75 N | 75 CA | 75 CB ) 178.777 90.000 -88.777 0.800 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) 178.777 135.000 -43.777 0.399 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 86.810 180.000 93.190 0.528 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 86.810 45.000 -41.810 0.395 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -93.443 -180.000 -86.557 0.352 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -93.443 -60.000 33.443 0.265 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -93.443 -135.000 -41.557 0.296 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -76.165 -180.000 -103.835 0.465 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -76.165 -45.000 31.165 0.235 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -76.165 -108.000 -31.835 0.145 0.075 5 ( 75 C | 76 N | 76 CA | 76 CB ) 162.008 90.000 -72.008 0.724 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 82.979 180.000 97.021 0.561 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 82.979 45.000 -37.979 0.376 0.200 4 ( 75 CB | 75 CA | 75 C | 75 O ) -97.025 -180.000 -82.975 0.329 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -97.025 -60.000 37.025 0.306 0.225 3 ( 75 CB | 75 CA | 75 C | 75 O ) -97.025 -135.000 -37.975 0.282 0.150 4 ( 76 C | 77 N | 77 CA | 77 C ) -60.383 -180.000 -119.617 0.560 0.375 1 ( 76 C | 77 N | 77 CA | 77 CB ) 176.301 90.000 -86.301 0.797 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 176.301 135.000 -41.301 0.393 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 76.927 180.000 103.073 0.613 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 76.927 45.000 -31.927 0.322 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 76.927 108.000 31.073 0.191 0.100 5 ( 76 CB | 76 CA | 76 C | 76 O ) -103.844 -180.000 -76.156 0.285 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -103.844 -60.000 43.844 0.374 0.225 3 ( 76 CB | 76 CA | 76 C | 76 O ) -103.844 -135.000 -31.156 0.235 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -53.860 -180.000 -126.140 0.596 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -53.860 -90.000 -36.140 0.209 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.994 -90.000 86.994 0.798 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.994 -135.000 41.994 0.396 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 92.592 180.000 87.408 0.477 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 92.592 60.000 -32.592 0.341 0.300 3 ( 77 CB | 77 CA | 77 C | 78 N ) 92.592 135.000 42.408 0.397 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -88.317 -180.000 -91.683 0.386 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -88.317 -45.000 43.317 0.299 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -77.229 -180.000 -102.771 0.458 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -77.229 -45.000 32.229 0.244 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -77.229 -108.000 -30.771 0.142 0.075 5 ( 78 C | 79 N | 79 CA | 79 CB ) 159.497 90.000 -69.497 0.702 0.400 2 ( 78 CB | 78 CA | 78 C | 79 N ) 91.336 180.000 88.664 0.488 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 91.336 60.000 -31.336 0.321 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 91.336 135.000 43.664 0.399 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -89.160 -180.000 -90.840 0.380 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -89.160 -45.000 44.160 0.300 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -115.155 -180.000 -64.845 0.216 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -115.155 -60.000 55.155 0.443 0.225 3 ( 79 C | 80 N | 80 CA | 80 CB ) 122.024 180.000 57.976 0.235 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 122.024 90.000 -32.024 0.225 0.400 2 ( 79 C | 80 N | 80 CA | 80 CB ) 122.024 180.000 57.976 0.598 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 100.089 180.000 79.911 0.412 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 100.089 60.000 -40.089 0.451 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 100.089 135.000 34.911 0.352 0.200 4 ( 79 CB | 79 CA | 79 C | 79 O ) -79.813 -180.000 -100.187 0.441 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -79.813 -45.000 34.813 0.264 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -58.253 -180.000 -121.747 0.572 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -58.253 -90.000 -31.747 0.166 0.300 2 ( 80 C | 81 N | 81 CA | 81 CB ) 179.096 90.000 -89.096 0.800 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 179.096 135.000 -44.096 0.400 0.200 4 ( 80 CB | 80 CA | 80 C | 81 N ) 146.663 180.000 33.337 0.082 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 146.663 90.000 -56.663 0.558 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 146.663 180.000 33.337 0.352 0.300 3 ( 80 CB | 80 CA | 80 C | 81 N ) 146.663 180.000 33.337 0.197 0.100 5 ( 80 CB | 80 CA | 80 C | 80 O ) -35.270 -180.000 -144.730 0.681 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -35.270 -90.000 -54.730 0.400 0.300 2 ( 82 CZ | 82 NE | 82 CD | 82 CG ) -139.456 -180.000 -40.544 0.480 2.000 1 ( 81 C | 82 N | 82 CA | 82 C ) -59.334 -180.000 -120.666 0.566 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) -59.334 -90.000 -30.666 0.156 0.300 2 ( 81 C | 82 N | 82 CA | 82 CB ) 177.434 90.000 -87.434 0.798 0.400 2 ( 81 C | 82 N | 82 CA | 82 CB ) 177.434 135.000 -42.434 0.397 0.200 4 ( 81 CB | 81 CA | 81 C | 82 N ) 83.035 180.000 96.965 0.561 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) 83.035 45.000 -38.035 0.377 0.200 4 ( 81 CB | 81 CA | 81 C | 81 O ) -96.364 -180.000 -83.636 0.333 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) -96.364 -60.000 36.364 0.299 0.225 3 ( 81 CB | 81 CA | 81 C | 81 O ) -96.364 -135.000 -38.636 0.285 0.150 4 ( 82 C | 83 N | 83 CA | 83 C ) -110.347 -180.000 -69.653 0.245 0.375 1 ( 82 C | 83 N | 83 CA | 83 C ) -110.347 -60.000 50.347 0.422 0.225 3 ( 82 C | 83 N | 83 CA | 83 CB ) 128.417 180.000 51.583 0.189 0.500 1 ( 82 C | 83 N | 83 CA | 83 CB ) 128.417 90.000 -38.417 0.309 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 128.417 180.000 51.583 0.571 0.300 3 ( 82 CB | 82 CA | 82 C | 83 N ) -138.621 -180.000 -41.379 0.125 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) -138.621 -90.000 48.621 0.450 0.400 2 ( 82 CB | 82 CA | 82 C | 83 N ) -138.621 -180.000 -41.379 0.468 0.300 3 ( 82 CB | 82 CA | 82 C | 83 N ) -138.621 -108.000 30.621 0.189 0.100 5 ( 82 CB | 82 CA | 82 C | 82 O ) 42.437 180.000 137.563 0.652 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 42.437 90.000 47.563 0.327 0.300 2 ( 84 CD | 84 CG | 84 CB | 84 CA ) 143.014 180.000 36.986 2.715 2.000 3 ( 83 C | 84 N | 84 CA | 84 C ) -70.576 -180.000 -109.424 0.500 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -70.576 -36.000 34.576 0.149 0.075 5 ( 83 C | 84 N | 84 CA | 84 CB ) 166.979 90.000 -76.979 0.759 0.400 2 ( 83 C | 84 N | 84 CA | 84 CB ) 166.979 135.000 -31.979 0.323 0.200 4 ( 83 CB | 83 CA | 83 C | 84 N ) -129.350 -180.000 -50.650 0.183 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -129.350 -90.000 39.350 0.322 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -129.350 -180.000 -50.650 0.565 0.300 3 ( 83 CB | 83 CA | 83 C | 83 O ) 51.640 180.000 128.360 0.608 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 51.640 90.000 38.360 0.231 0.300 2 ( 84 C | 85 N | 85 CA | 85 C ) -82.326 -180.000 -97.674 0.425 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -82.326 -45.000 37.326 0.279 0.150 4 ( 84 C | 85 N | 85 CA | 85 CB ) 155.295 90.000 -65.295 0.660 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) -101.414 -180.000 -78.586 0.401 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) -101.414 -60.000 41.414 0.469 0.300 3 ( 84 CB | 84 CA | 84 C | 85 N ) -101.414 -135.000 -33.586 0.340 0.200 4 ( 84 CB | 84 CA | 84 C | 84 O ) 78.532 180.000 101.468 0.450 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 78.532 45.000 -33.532 0.254 0.150 4 ( 85 C | 86 N | 86 CA | 86 C ) -69.871 -180.000 -110.129 0.504 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -69.871 -36.000 33.871 0.149 0.075 5 ( 85 C | 86 N | 86 CA | 86 CB ) 167.741 90.000 -77.741 0.764 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 167.741 135.000 -32.741 0.331 0.200 4 ( 85 CB | 85 CA | 85 C | 86 N ) -60.949 -180.000 -119.051 0.743 0.500 1 ( 85 CB | 85 CA | 85 C | 85 O ) 119.618 180.000 60.382 0.190 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 119.618 60.000 -59.618 0.450 0.225 3 ( 86 C | 87 N | 87 CA | 87 C ) -74.184 -180.000 -105.816 0.477 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -74.184 -108.000 -33.816 0.149 0.075 5 ( 86 C | 87 N | 87 CA | 87 CB ) 163.662 90.000 -73.662 0.737 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) -80.661 -180.000 -99.339 0.581 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -80.661 -45.000 35.661 0.359 0.200 4 ( 86 CB | 86 CA | 86 C | 86 O ) 99.616 180.000 80.384 0.312 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 99.616 60.000 -39.616 0.334 0.225 3 ( 86 CB | 86 CA | 86 C | 86 O ) 99.616 135.000 35.384 0.267 0.150 4 ( 87 C | 88 N | 88 CA | 88 C ) -165.238 -90.000 75.238 0.561 0.300 2 ( 87 C | 88 N | 88 CA | 88 C ) -165.238 -135.000 30.238 0.227 0.150 4 ( 87 C | 88 N | 88 CA | 88 CB ) 72.383 180.000 107.617 0.651 0.500 1 ( 87 C | 88 N | 88 CA | 88 CB ) 72.383 108.000 35.617 0.200 0.100 5 ( 87 CB | 87 CA | 87 C | 88 N ) -99.378 -180.000 -80.622 0.419 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -99.378 -60.000 39.378 0.441 0.300 3 ( 87 CB | 87 CA | 87 C | 88 N ) -99.378 -135.000 -35.622 0.359 0.200 4 ( 87 CB | 87 CA | 87 C | 87 O ) 80.395 180.000 99.605 0.438 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 80.395 45.000 -35.395 0.268 0.150 4 ( 88 C | 89 N | 89 CA | 89 C ) -132.412 -180.000 -47.588 0.122 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -132.412 -90.000 42.412 0.273 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -132.412 -180.000 -47.588 0.404 0.225 3 ( 88 C | 89 N | 89 CA | 89 CB ) 106.599 180.000 73.401 0.357 0.500 1 ( 88 C | 89 N | 89 CA | 89 CB ) 106.599 60.000 -46.599 0.529 0.300 3 ( 88 CB | 88 CA | 88 C | 89 N ) -70.819 -180.000 -109.181 0.664 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -70.819 -36.000 34.819 0.199 0.100 5 ( 88 CB | 88 CA | 88 C | 88 O ) 109.035 180.000 70.965 0.253 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 109.035 60.000 -49.035 0.414 0.225 3 ( 89 C | 90 N | 90 CA | 90 C ) -120.970 -180.000 -59.030 0.182 0.375 1 ( 89 C | 90 N | 90 CA | 90 C ) -120.970 -90.000 30.970 0.159 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -120.970 -180.000 -59.030 0.450 0.225 3 ( 89 C | 90 N | 90 CA | 90 CB ) 115.776 180.000 64.224 0.283 0.500 1 ( 89 C | 90 N | 90 CA | 90 CB ) 115.776 60.000 -55.776 0.593 0.300 3 ( 89 CB | 89 CA | 89 C | 90 N ) -58.213 -180.000 -121.787 0.763 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -58.213 -90.000 -31.787 0.222 0.400 2 ( 89 CB | 89 CA | 89 C | 89 O ) 122.024 180.000 57.976 0.176 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 122.024 90.000 -32.024 0.169 0.300 2 ( 89 CB | 89 CA | 89 C | 89 O ) 122.024 180.000 57.976 0.449 0.225 3 ( 90 C | 91 N | 91 CA | 91 C ) 69.332 180.000 110.668 0.507 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) 69.332 36.000 -33.332 0.148 0.075 5 ( 90 C | 91 N | 91 CA | 91 CB ) -54.987 -180.000 -125.013 0.787 0.500 1 ( 90 C | 91 N | 91 CA | 91 CB ) -54.987 -90.000 -35.013 0.263 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -92.148 -180.000 -87.852 0.481 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -92.148 -60.000 32.148 0.334 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -92.148 -135.000 -42.852 0.398 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 88.152 180.000 91.848 0.387 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 88.152 45.000 -43.152 0.299 0.150 4 The following couplings have delta J greater than the cutoff: (calculated J) (observed J) (delta J) RMS diff. = 0.000, #(violat.> 1.00)= 0. of 0 J-couplings overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,vean energies: -1608.96, 80.9055, 84.8587, 37.5934, 425.882, -273.237, -1965.63, 0.631061, 3.54891E-02, $coup, $sani, $vean