NBONDS: found 149684 intra-atom interactions ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++ for this class: SCALe= 50.000 AVERage=sum POTEntial=soft-square SQCOnstant= 1.000 SQEXponent= 2 SQOFfsets(+/-)= 0.000 0.000 SOEXponent= 1 RSWItch= 0.500 ASYMptote= 0.100 ========== restraint 1058 ========== set-i-atoms A 50 MET HB2 set-j-atoms A 50 MET HE1 A 50 MET HE2 A 50 MET HE3 R= 3.844 NOE= 3.24 (- 1.44/+ 0.32) Delta= -0.284 E(NOE)= 4.034 NOEPRI: RMS diff. = 0.011, #(violat.> 0.2)= 1 of 2918 NOEs NOEPRI: RMS diff. class DIST = 0.011, #(viol.> 0.2)= 1 of 2888 NOEs NOEPRI: RMS diff. class HBON = 0.036, #(viol.> 0.2)= 0 of 30 NOEs ======================================== A 50 MET N A 50 MET CA A 50 MET C A 51 ILE N Dihedral= 93.338 Energy= 0.022 C= 1.000 Equil= 128.600 Delta= 8.462 Range= 26.800 Exponent= 2 (atom-i |atom-j ) dist. equil. delta energy const. (A 51 CA |A 51 CB ) 1.592 1.540 0.052 2.669 1000.000 (A 73 CA |A 73 C ) 1.583 1.525 0.058 3.324 1000.000 (A 73 C |A 74 N ) 1.404 1.341 0.063 3.992 1000.000 (atom-i |atom-j |atom-k ) angle equil. delta energy const. (A 73 CA |A 73 C |A 74 N ) 122.495 116.994 5.501 4.610 500.000 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period (A 3 CA |A 3 C |A 4 N |A 4 CA ) -172.522 -180.007 -7.485 1.706 100.000 0 (A 6 CA |A 6 C |A 7 N |A 7 CA ) 172.425 -180.007 7.568 1.745 100.000 0 (A 12 CA |A 12 C |A 13 N |A 13 CA ) -170.908 -180.007 -9.099 2.522 100.000 0 (A 16 CA |A 16 C |A 17 N |A 17 CA ) 174.871 -180.007 5.122 0.799 100.000 0 (A 19 CA |A 19 C |A 20 N |A 20 CA ) 174.514 -180.002 5.484 0.916 100.000 0 (A 21 CA |A 21 C |A 22 N |A 22 CA ) -168.282 -180.002 -11.720 4.184 100.000 0 (A 25 CA |A 25 C |A 26 N |A 26 CA ) 170.587 -180.007 9.406 2.695 100.000 0 (A 27 CA |A 27 C |A 28 N |A 28 CA ) 172.660 -180.007 7.333 1.638 100.000 0 (A 33 CA |A 33 C |A 34 N |A 34 CA ) -174.443 -180.007 -5.564 0.943 100.000 0 (A 39 CA |A 39 C |A 40 N |A 40 CA ) 171.705 -180.007 8.288 2.093 100.000 0 (A 40 CA |A 40 C |A 41 N |A 41 CA ) 174.097 -180.007 5.896 1.059 100.000 0 (A 42 CA |A 42 C |A 43 N |A 43 CA ) 170.039 -180.007 9.954 3.018 100.000 0 (A 46 CA |A 46 C |A 47 N |A 47 CA ) -172.250 -180.002 -7.752 1.830 100.000 0 (A 52 CA |A 52 C |A 53 N |A 53 CA ) 174.677 -180.007 5.316 0.861 100.000 0 (A 57 CA |A 57 C |A 58 N |A 58 CA ) -173.629 -180.007 -6.378 1.239 100.000 0 (A 63 CA |A 63 C |A 64 N |A 64 CA ) -173.229 -180.002 -6.773 1.397 100.000 0 (A 66 CA |A 66 C |A 67 N |A 67 CA ) 173.326 -180.007 6.667 1.354 100.000 0 (A 69 CA |A 69 C |A 70 N |A 70 CA ) 170.828 -180.007 9.165 2.559 100.000 0 (A 71 CA |A 71 C |A 72 N |A 72 CA ) 173.468 -180.007 6.526 1.297 100.000 0 (A 72 CA |A 72 C |A 73 N |A 73 CA ) 167.200 179.987 12.787 4.981 100.000 0 (A 73 CA |A 73 C |A 74 N |A 74 CA ) 172.854 179.987 7.133 1.550 100.000 0 (A 82 CA |A 82 C |A 83 N |A 83 CA ) -171.528 -180.007 -8.479 2.190 100.000 0 (A 89 CA |A 89 C |A 90 N |A 90 CA ) -174.367 -180.002 -5.635 0.967 100.000 0 (A 92 CA |A 92 C |A 93 N |A 93 CA ) -173.925 -180.007 -6.082 1.127 100.000 0 (A 93 CA |A 93 C |A 94 N |A 94 CA ) 172.283 -180.007 7.710 1.811 100.000 0 (A 94 CA |A 94 C |A 95 N |A 95 CA ) -170.660 -180.007 -9.347 2.661 100.000 0 (A 96 CA |A 96 C |A 97 N |A 97 CA ) 168.005 -180.007 11.988 4.378 100.000 0 (A 98 CA |A 98 C |A 99 N |A 99 CA ) -174.997 -180.007 -5.010 0.765 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period (A 1 C |A 2 N |A 2 CA |A 2 C ) -70.549 -180.000 -109.451 0.500 0.375 1 (A 1 C |A 2 N |A 2 CA |A 2 C ) -70.549 -36.000 34.549 0.149 0.075 5 (A 1 CB |A 1 CA |A 1 C |A 2 N ) 114.486 180.000 65.514 0.293 0.500 1 (A 1 CB |A 1 CA |A 1 C |A 2 N ) 114.486 60.000 -54.486 0.588 0.300 3 (A 1 CB |A 1 CA |A 1 C |A 1 O ) -65.162 -180.000 -114.838 0.533 0.375 1 (A 3 ND1 |A 3 CG |A 3 CB |A 3 CA ) -97.021 -180.000 -82.979 0.527 0.600 1 (A 2 C |A 3 N |A 3 CA |A 3 C ) -81.029 -180.000 -98.971 0.433 0.375 1 (A 2 C |A 3 N |A 3 CA |A 3 C ) -81.029 -45.000 36.029 0.272 0.150 4 (A 2 C |A 3 N |A 3 CA |A 3 CB ) 154.927 90.000 -64.927 0.656 0.400 2 (A 4 ND1 |A 4 CG |A 4 CB |A 4 CA ) -81.837 -180.000 -98.163 0.685 0.600 1 (A 3 C |A 4 N |A 4 CA |A 4 C ) -69.177 -180.000 -110.823 0.508 0.375 1 (A 3 C |A 4 N |A 4 CA |A 4 C ) -69.177 -36.000 33.177 0.148 0.075 5 (A 3 C |A 4 N |A 4 CA |A 4 CB ) 166.220 90.000 -76.220 0.755 0.400 2 (A 3 C |A 4 N |A 4 CA |A 4 CB ) 166.220 135.000 -31.220 0.314 0.200 4 (A 3 CB |A 3 CA |A 3 C |A 4 N ) -105.956 -180.000 -74.044 0.363 0.500 1 (A 3 CB |A 3 CA |A 3 C |A 4 N ) -105.956 -60.000 45.956 0.522 0.300 3 (A 3 CB |A 3 CA |A 3 C |A 3 O ) 73.538 180.000 106.462 0.481 0.375 1 (A 3 CB |A 3 CA |A 3 C |A 3 O ) 73.538 108.000 34.462 0.149 0.075 5 (A 5 ND1 |A 5 CG |A 5 CB |A 5 CA ) 116.552 180.000 63.448 0.332 0.600 1 (A 4 C |A 5 N |A 5 CA |A 5 C ) -73.872 -180.000 -106.128 0.479 0.375 1 (A 4 C |A 5 N |A 5 CA |A 5 C ) -73.872 -108.000 -34.128 0.149 0.075 5 (A 4 C |A 5 N |A 5 CA |A 5 CB ) 162.980 90.000 -72.980 0.731 0.400 2 (A 4 CB |A 4 CA |A 4 C |A 5 N ) 96.154 180.000 83.846 0.446 0.500 1 (A 4 CB |A 4 CA |A 4 C |A 5 N ) 96.154 60.000 -36.154 0.395 0.300 3 (A 4 CB |A 4 CA |A 4 C |A 5 N ) 96.154 135.000 38.846 0.382 0.200 4 (A 4 CB |A 4 CA |A 4 C |A 4 O ) -83.550 -180.000 -96.450 0.417 0.375 1 (A 4 CB |A 4 CA |A 4 C |A 4 O ) -83.550 -45.000 38.550 0.285 0.150 4 (A 6 ND1 |A 6 CG |A 6 CB |A 6 CA ) 59.201 180.000 120.799 0.907 0.600 1 (A 5 C |A 6 N |A 6 CA |A 6 C ) -80.946 -180.000 -99.054 0.434 0.375 1 (A 5 C |A 6 N |A 6 CA |A 6 C ) -80.946 -45.000 35.946 0.271 0.150 4 (A 5 C |A 6 N |A 6 CA |A 6 CB ) 155.307 90.000 -65.307 0.660 0.400 2 (A 5 CB |A 5 CA |A 5 C |A 6 N ) -94.404 -180.000 -85.596 0.462 0.500 1 (A 5 CB |A 5 CA |A 5 C |A 6 N ) -94.404 -60.000 34.404 0.369 0.300 3 (A 5 CB |A 5 CA |A 5 C |A 6 N ) -94.404 -135.000 -40.596 0.391 0.200 4 (A 5 CB |A 5 CA |A 5 C |A 5 O ) 84.821 180.000 95.179 0.409 0.375 1 (A 5 CB |A 5 CA |A 5 C |A 5 O ) 84.821 45.000 -39.821 0.290 0.150 4 (A 7 ND1 |A 7 CG |A 7 CB |A 7 CA ) -72.085 -180.000 -107.915 0.785 0.600 1 (A 6 C |A 7 N |A 7 CA |A 7 C ) -145.023 -180.000 -34.977 0.068 0.375 1 (A 6 C |A 7 N |A 7 CA |A 7 C ) -145.023 -90.000 55.023 0.403 0.300 2 (A 6 C |A 7 N |A 7 CA |A 7 C ) -145.023 -180.000 -34.977 0.283 0.225 3 (A 6 C |A 7 N |A 7 CA |A 7 C ) -145.023 -180.000 -34.977 0.150 0.075 5 (A 6 C |A 7 N |A 7 CA |A 7 CB ) 90.517 180.000 89.483 0.495 0.500 1 (A 6 C |A 7 N |A 7 CA |A 7 CB ) 90.517 60.000 -30.517 0.308 0.300 3 (A 6 C |A 7 N |A 7 CA |A 7 CB ) 90.517 135.000 44.483 0.400 0.200 4 (A 6 CB |A 6 CA |A 6 C |A 7 N ) 103.452 180.000 76.548 0.384 0.500 1 (A 6 CB |A 6 CA |A 6 C |A 7 N ) 103.452 60.000 -43.452 0.494 0.300 3 (A 6 CB |A 6 CA |A 6 C |A 7 N ) 103.452 135.000 31.548 0.318 0.200 4 (A 6 CB |A 6 CA |A 6 C |A 6 O ) -76.777 -180.000 -103.223 0.461 0.375 1 (A 6 CB |A 6 CA |A 6 C |A 6 O ) -76.777 -45.000 31.777 0.241 0.150 4 (A 6 CB |A 6 CA |A 6 C |A 6 O ) -76.777 -108.000 -31.223 0.144 0.075 5 (A 8 ND1 |A 8 CG |A 8 CB |A 8 CA ) -82.798 -180.000 -97.202 0.675 0.600 1 (A 7 C |A 8 N |A 8 CA |A 8 C ) -84.290 -180.000 -95.710 0.412 0.375 1 (A 7 C |A 8 N |A 8 CA |A 8 C ) -84.290 -45.000 39.290 0.288 0.150 4 (A 7 C |A 8 N |A 8 CA |A 8 CB ) 151.385 90.000 -61.385 0.617 0.400 2 (A 7 CB |A 7 CA |A 7 C |A 8 N ) -95.236 -180.000 -84.764 0.454 0.500 1 (A 7 CB |A 7 CA |A 7 C |A 8 N ) -95.236 -60.000 35.236 0.381 0.300 3 (A 7 CB |A 7 CA |A 7 C |A 8 N ) -95.236 -135.000 -39.764 0.387 0.200 4 (A 7 CB |A 7 CA |A 7 C |A 7 O ) 85.514 180.000 94.486 0.404 0.375 1 (A 7 CB |A 7 CA |A 7 C |A 7 O ) 85.514 45.000 -40.514 0.293 0.150 4 (A 8 C |A 9 N |A 9 CA |A 9 C ) -89.465 -180.000 -90.535 0.379 0.375 1 (A 8 C |A 9 N |A 9 CA |A 9 C ) -89.465 -45.000 44.465 0.300 0.150 4 (A 8 C |A 9 N |A 9 CA |A 9 CB ) 149.051 180.000 30.949 0.071 0.500 1 (A 8 C |A 9 N |A 9 CA |A 9 CB ) 149.051 90.000 -59.051 0.588 0.400 2 (A 8 C |A 9 N |A 9 CA |A 9 CB ) 149.051 180.000 30.949 0.315 0.300 3 (A 8 C |A 9 N |A 9 CA |A 9 CB ) 149.051 180.000 30.949 0.190 0.100 5 (A 8 CB |A 8 CA |A 8 C |A 9 N ) -153.259 -90.000 63.259 0.638 0.400 2 (A 8 CB |A 8 CA |A 8 C |A 8 O ) 28.914 180.000 151.086 0.703 0.375 1 (A 8 CB |A 8 CA |A 8 C |A 8 O ) 28.914 90.000 61.086 0.460 0.300 2 (A 8 CB |A 8 CA |A 8 C |A 8 O ) 28.914 60.000 31.086 0.238 0.225 3 (A 10 ND1 |A 10 CG |A 10 CB |A 10 CA ) -101.090 -180.000 -78.910 0.485 0.600 1 (A 9 C |A 10 N |A 10 CA |A 10 C ) -66.323 -180.000 -113.677 0.526 0.375 1 (A 9 C |A 10 N |A 10 CA |A 10 C ) -66.323 -36.000 30.323 0.141 0.075 5 (A 9 C |A 10 N |A 10 CA |A 10 CB ) 170.524 90.000 -80.524 0.778 0.400 2 (A 9 C |A 10 N |A 10 CA |A 10 CB ) 170.524 135.000 -35.524 0.358 0.200 4 (A 9 CB |A 9 CA |A 9 C |A 10 N ) -107.178 -180.000 -72.822 0.352 0.500 1 (A 9 CB |A 9 CA |A 9 C |A 10 N ) -107.178 -60.000 47.178 0.535 0.300 3 (A 9 CB |A 9 CA |A 9 C |A 9 O ) 71.916 180.000 108.084 0.491 0.375 1 (A 9 CB |A 9 CA |A 9 C |A 9 O ) 71.916 36.000 -35.916 0.150 0.075 5 (A 10 C |A 11 N |A 11 CA |A 11 C ) -76.595 -180.000 -103.405 0.462 0.375 1 (A 10 C |A 11 N |A 11 CA |A 11 C ) -76.595 -45.000 31.595 0.239 0.150 4 (A 10 C |A 11 N |A 11 CA |A 11 C ) -76.595 -108.000 -31.405 0.144 0.075 5 (A 10 C |A 11 N |A 11 CA |A 11 CB ) 160.619 90.000 -70.619 0.712 0.400 2 (A 10 CB |A 10 CA |A 10 C |A 11 N ) 88.995 180.000 91.005 0.509 0.500 1 (A 10 CB |A 10 CA |A 10 C |A 11 N ) 88.995 45.000 -43.995 0.400 0.200 4 (A 10 CB |A 10 CA |A 10 C |A 10 O ) -90.691 -180.000 -89.309 0.370 0.375 1 (A 10 CB |A 10 CA |A 10 C |A 10 O ) -90.691 -60.000 30.691 0.233 0.225 3 (A 10 CB |A 10 CA |A 10 C |A 10 O ) -90.691 -135.000 -44.309 0.300 0.150 4 (A 11 C |A 12 N |A 12 CA |A 12 C ) -68.464 -180.000 -111.536 0.513 0.375 1 (A 11 C |A 12 N |A 12 CA |A 12 C ) -68.464 -36.000 32.464 0.146 0.075 5 (A 11 C |A 12 N |A 12 CA |A 12 CB ) 168.209 90.000 -78.209 0.767 0.400 2 (A 11 C |A 12 N |A 12 CA |A 12 CB ) 168.209 135.000 -33.209 0.336 0.200 4 (A 11 CB |A 11 CA |A 11 C |A 12 N ) -145.581 -180.000 -34.419 0.088 0.500 1 (A 11 CB |A 11 CA |A 11 C |A 12 N ) -145.581 -90.000 55.581 0.544 0.400 2 (A 11 CB |A 11 CA |A 11 C |A 12 N ) -145.581 -180.000 -34.419 0.369 0.300 3 (A 11 CB |A 11 CA |A 11 C |A 12 N ) -145.581 -180.000 -34.419 0.199 0.100 5 (A 11 CB |A 11 CA |A 11 C |A 11 O ) 37.770 180.000 142.230 0.671 0.375 1 (A 11 CB |A 11 CA |A 11 C |A 11 O ) 37.770 90.000 52.230 0.375 0.300 2 (A 12 C |A 13 N |A 13 CA |A 13 C ) -58.822 -180.000 -121.178 0.569 0.375 1 (A 12 C |A 13 N |A 13 CA |A 13 C ) -58.822 -90.000 -31.178 0.161 0.300 2 (A 12 C |A 13 N |A 13 CA |A 13 CB ) 176.942 90.000 -86.942 0.798 0.400 2 (A 12 C |A 13 N |A 13 CA |A 13 CB ) 176.942 135.000 -41.942 0.395 0.200 4 (A 12 CB |A 12 CA |A 12 C |A 13 N ) -126.745 -180.000 -53.255 0.201 0.500 1 (A 12 CB |A 12 CA |A 12 C |A 13 N ) -126.745 -90.000 36.745 0.286 0.400 2 (A 12 CB |A 12 CA |A 12 C |A 13 N ) -126.745 -180.000 -53.255 0.581 0.300 3 (A 12 CB |A 12 CA |A 12 C |A 12 O ) 54.984 180.000 125.016 0.590 0.375 1 (A 12 CB |A 12 CA |A 12 C |A 12 O ) 54.984 90.000 35.016 0.198 0.300 2 (A 13 C |A 14 N |A 14 CA |A 14 C ) -97.214 -180.000 -82.786 0.328 0.375 1 (A 13 C |A 14 N |A 14 CA |A 14 C ) -97.214 -60.000 37.214 0.308 0.225 3 (A 13 C |A 14 N |A 14 CA |A 14 C ) -97.214 -135.000 -37.786 0.281 0.150 4 (A 13 C |A 14 N |A 14 CA |A 14 CB ) 139.325 180.000 40.675 0.121 0.500 1 (A 13 C |A 14 N |A 14 CA |A 14 CB ) 139.325 90.000 -49.325 0.460 0.400 2 (A 13 C |A 14 N |A 14 CA |A 14 CB ) 139.325 180.000 40.675 0.459 0.300 3 (A 13 C |A 14 N |A 14 CA |A 14 CB ) 139.325 108.000 -31.325 0.192 0.100 5 (A 13 CB |A 13 CA |A 13 C |A 14 N ) -114.697 -180.000 -65.303 0.291 0.500 1 (A 13 CB |A 13 CA |A 13 C |A 14 N ) -114.697 -60.000 54.697 0.589 0.300 3 (A 13 CB |A 13 CA |A 13 C |A 13 O ) 65.053 180.000 114.947 0.533 0.375 1 (A 14 C |A 15 N |A 15 CA |A 15 C ) -101.321 -180.000 -78.679 0.301 0.375 1 (A 14 C |A 15 N |A 15 CA |A 15 C ) -101.321 -60.000 41.321 0.351 0.225 3 (A 14 C |A 15 N |A 15 CA |A 15 C ) -101.321 -135.000 -33.679 0.256 0.150 4 (A 14 C |A 15 N |A 15 CA |A 15 CB ) 136.913 180.000 43.087 0.135 0.500 1 (A 14 C |A 15 N |A 15 CA |A 15 CB ) 136.913 90.000 -46.913 0.427 0.400 2 (A 14 C |A 15 N |A 15 CA |A 15 CB ) 136.913 180.000 43.087 0.490 0.300 3 (A 14 CB |A 14 CA |A 14 C |A 15 N ) 116.366 180.000 63.634 0.278 0.500 1 (A 14 CB |A 14 CA |A 14 C |A 15 N ) 116.366 60.000 -56.366 0.595 0.300 3 (A 14 CB |A 14 CA |A 14 C |A 14 O ) -62.432 -180.000 -117.568 0.549 0.375 1 (A 15 C |A 16 N |A 16 CA |A 16 C ) -110.672 -180.000 -69.328 0.243 0.375 1 (A 15 C |A 16 N |A 16 CA |A 16 C ) -110.672 -60.000 50.672 0.424 0.225 3 (A 15 C |A 16 N |A 16 CA |A 16 CB ) 126.617 180.000 53.383 0.202 0.500 1 (A 15 C |A 16 N |A 16 CA |A 16 CB ) 126.617 90.000 -36.617 0.285 0.400 2 (A 15 C |A 16 N |A 16 CA |A 16 CB ) 126.617 180.000 53.383 0.582 0.300 3 (A 15 CB |A 15 CA |A 15 C |A 16 N ) -106.811 -180.000 -73.189 0.355 0.500 1 (A 15 CB |A 15 CA |A 15 C |A 16 N ) -106.811 -60.000 46.811 0.531 0.300 3 (A 15 CB |A 15 CA |A 15 C |A 15 O ) 73.771 180.000 106.229 0.480 0.375 1 (A 15 CB |A 15 CA |A 15 C |A 15 O ) 73.771 108.000 34.229 0.149 0.075 5 (A 17 CD1 |A 17 CG |A 17 CB |A 17 CA ) 50.274 90.000 39.726 0.817 1.000 2 (A 16 C |A 17 N |A 17 CA |A 17 C ) -111.093 -180.000 -68.907 0.240 0.375 1 (A 16 C |A 17 N |A 17 CA |A 17 C ) -111.093 -60.000 51.093 0.426 0.225 3 (A 16 C |A 17 N |A 17 CA |A 17 CB ) 126.660 180.000 53.340 0.201 0.500 1 (A 16 C |A 17 N |A 17 CA |A 17 CB ) 126.660 90.000 -36.660 0.285 0.400 2 (A 16 C |A 17 N |A 17 CA |A 17 CB ) 126.660 180.000 53.340 0.582 0.300 3 (A 16 CB |A 16 CA |A 16 C |A 17 N ) -83.327 -180.000 -96.673 0.558 0.500 1 (A 16 CB |A 16 CA |A 16 C |A 17 N ) -83.327 -45.000 38.327 0.379 0.200 4 (A 16 CB |A 16 CA |A 16 C |A 16 O ) 97.280 180.000 82.720 0.327 0.375 1 (A 16 CB |A 16 CA |A 16 C |A 16 O ) 97.280 60.000 -37.280 0.309 0.225 3 (A 16 CB |A 16 CA |A 16 C |A 16 O ) 97.280 135.000 37.720 0.281 0.150 4 (A 17 C |A 18 N |A 18 CA |A 18 C ) -121.058 -180.000 -58.942 0.182 0.375 1 (A 17 C |A 18 N |A 18 CA |A 18 C ) -121.058 -90.000 31.058 0.160 0.300 2 (A 17 C |A 18 N |A 18 CA |A 18 C ) -121.058 -180.000 -58.942 0.450 0.225 3 (A 17 C |A 18 N |A 18 CA |A 18 CB ) 117.515 180.000 62.485 0.269 0.500 1 (A 17 C |A 18 N |A 18 CA |A 18 CB ) 117.515 60.000 -57.515 0.597 0.300 3 (A 17 CB |A 17 CA |A 17 C |A 18 N ) -108.754 -180.000 -71.246 0.339 0.500 1 (A 17 CB |A 17 CA |A 17 C |A 18 N ) -108.754 -60.000 48.754 0.549 0.300 3 (A 17 CB |A 17 CA |A 17 C |A 17 O ) 70.432 180.000 109.568 0.501 0.375 1 (A 17 CB |A 17 CA |A 17 C |A 17 O ) 70.432 36.000 -34.432 0.149 0.075 5 (A 18 C |A 19 N |A 19 CA |A 19 C ) -123.836 -180.000 -56.164 0.166 0.375 1 (A 18 C |A 19 N |A 19 CA |A 19 C ) -123.836 -90.000 33.836 0.186 0.300 2 (A 18 C |A 19 N |A 19 CA |A 19 C ) -123.836 -180.000 -56.164 0.445 0.225 3 (A 18 C |A 19 N |A 19 CA |A 19 CB ) 115.457 180.000 64.543 0.285 0.500 1 (A 18 C |A 19 N |A 19 CA |A 19 CB ) 115.457 60.000 -55.457 0.592 0.300 3 (A 18 CB |A 18 CA |A 18 C |A 19 N ) -96.199 -180.000 -83.801 0.446 0.500 1 (A 18 CB |A 18 CA |A 18 C |A 19 N ) -96.199 -60.000 36.199 0.396 0.300 3 (A 18 CB |A 18 CA |A 18 C |A 19 N ) -96.199 -135.000 -38.801 0.382 0.200 4 (A 18 CB |A 18 CA |A 18 C |A 18 O ) 84.019 180.000 95.981 0.414 0.375 1 (A 18 CB |A 18 CA |A 18 C |A 18 O ) 84.019 45.000 -39.019 0.287 0.150 4 (A 19 C |A 20 N |A 20 CA |A 20 C ) 79.445 180.000 100.555 0.444 0.375 1 (A 19 C |A 20 N |A 20 CA |A 20 C ) 79.445 45.000 -34.445 0.261 0.150 4 (A 19 CB |A 19 CA |A 19 C |A 20 N ) -83.617 -180.000 -96.383 0.556 0.500 1 (A 19 CB |A 19 CA |A 19 C |A 20 N ) -83.617 -45.000 38.617 0.380 0.200 4 (A 19 CB |A 19 CA |A 19 C |A 19 O ) 96.256 180.000 83.744 0.334 0.375 1 (A 19 CB |A 19 CA |A 19 C |A 19 O ) 96.256 60.000 -36.256 0.297 0.225 3 (A 19 CB |A 19 CA |A 19 C |A 19 O ) 96.256 135.000 38.744 0.286 0.150 4 (A 20 C |A 21 N |A 21 CA |A 21 C ) -64.503 -180.000 -115.497 0.536 0.375 1 (A 20 C |A 21 N |A 21 CA |A 21 CB ) 174.135 90.000 -84.135 0.792 0.400 2 (A 20 C |A 21 N |A 21 CA |A 21 CB ) 174.135 135.000 -39.135 0.383 0.200 4 (A 21 C |A 22 N |A 22 CA |A 22 C ) 104.484 180.000 75.516 0.281 0.375 1 (A 21 C |A 22 N |A 22 CA |A 22 C ) 104.484 60.000 -44.484 0.380 0.225 3 (A 21 C |A 22 N |A 22 CA |A 22 C ) 104.484 135.000 30.516 0.230 0.150 4 (A 21 CB |A 21 CA |A 21 C |A 22 N ) 87.157 180.000 92.843 0.525 0.500 1 (A 21 CB |A 21 CA |A 21 C |A 22 N ) 87.157 45.000 -42.157 0.396 0.200 4 (A 21 CB |A 21 CA |A 21 C |A 21 O ) -94.059 -180.000 -85.941 0.348 0.375 1 (A 21 CB |A 21 CA |A 21 C |A 21 O ) -94.059 -60.000 34.059 0.272 0.225 3 (A 21 CB |A 21 CA |A 21 C |A 21 O ) -94.059 -135.000 -40.941 0.294 0.150 4 (A 22 C |A 23 N |A 23 CA |A 23 C ) -80.909 -180.000 -99.091 0.434 0.375 1 (A 22 C |A 23 N |A 23 CA |A 23 C ) -80.909 -45.000 35.909 0.271 0.150 4 (A 22 C |A 23 N |A 23 CA |A 23 CB ) 154.456 90.000 -64.456 0.651 0.400 2 (A 23 C |A 24 N |A 24 CA |A 24 C ) -93.996 -180.000 -86.004 0.349 0.375 1 (A 23 C |A 24 N |A 24 CA |A 24 C ) -93.996 -60.000 33.996 0.272 0.225 3 (A 23 C |A 24 N |A 24 CA |A 24 C ) -93.996 -135.000 -41.004 0.294 0.150 4 (A 23 C |A 24 N |A 24 CA |A 24 CB ) 142.303 180.000 37.697 0.104 0.500 1 (A 23 C |A 24 N |A 24 CA |A 24 CB ) 142.303 90.000 -52.303 0.501 0.400 2 (A 23 C |A 24 N |A 24 CA |A 24 CB ) 142.303 180.000 37.697 0.418 0.300 3 (A 23 C |A 24 N |A 24 CA |A 24 CB ) 142.303 108.000 -34.303 0.199 0.100 5 (A 23 CB |A 23 CA |A 23 C |A 24 N ) 119.820 180.000 60.180 0.251 0.500 1 (A 23 CB |A 23 CA |A 23 C |A 24 N ) 119.820 60.000 -59.820 0.600 0.300 3 (A 23 CB |A 23 CA |A 23 C |A 23 O ) -60.515 -180.000 -119.485 0.560 0.375 1 (A 24 C |A 25 N |A 25 CA |A 25 C ) -75.852 -180.000 -104.148 0.467 0.375 1 (A 24 C |A 25 N |A 25 CA |A 25 C ) -75.852 -45.000 30.852 0.233 0.150 4 (A 24 C |A 25 N |A 25 CA |A 25 C ) -75.852 -108.000 -32.148 0.146 0.075 5 (A 24 C |A 25 N |A 25 CA |A 25 CB ) 160.650 90.000 -70.650 0.712 0.400 2 (A 24 CB |A 24 CA |A 24 C |A 25 N ) 139.386 180.000 40.614 0.120 0.500 1 (A 24 CB |A 24 CA |A 24 C |A 25 N ) 139.386 90.000 -49.386 0.461 0.400 2 (A 24 CB |A 24 CA |A 24 C |A 25 N ) 139.386 180.000 40.614 0.458 0.300 3 (A 24 CB |A 24 CA |A 24 C |A 25 N ) 139.386 108.000 -31.386 0.192 0.100 5 (A 24 CB |A 24 CA |A 24 C |A 24 O ) -42.111 -180.000 -137.889 0.653 0.375 1 (A 24 CB |A 24 CA |A 24 C |A 24 O ) -42.111 -90.000 -47.889 0.330 0.300 2 (A 25 C |A 26 N |A 26 CA |A 26 C ) -125.004 -180.000 -54.996 0.160 0.375 1 (A 25 C |A 26 N |A 26 CA |A 26 C ) -125.004 -90.000 35.004 0.197 0.300 2 (A 25 C |A 26 N |A 26 CA |A 26 C ) -125.004 -180.000 -54.996 0.442 0.225 3 (A 25 C |A 26 N |A 26 CA |A 26 CB ) 113.790 180.000 66.210 0.298 0.500 1 (A 25 C |A 26 N |A 26 CA |A 26 CB ) 113.790 60.000 -53.790 0.584 0.300 3 (A 25 CB |A 25 CA |A 25 C |A 26 N ) -95.949 -180.000 -84.051 0.448 0.500 1 (A 25 CB |A 25 CA |A 25 C |A 26 N ) -95.949 -60.000 35.949 0.392 0.300 3 (A 25 CB |A 25 CA |A 25 C |A 26 N ) -95.949 -135.000 -39.051 0.383 0.200 4 (A 25 CB |A 25 CA |A 25 C |A 25 O ) 86.296 180.000 93.704 0.399 0.375 1 (A 25 CB |A 25 CA |A 25 C |A 25 O ) 86.296 45.000 -41.296 0.295 0.150 4 (A 26 C |A 27 N |A 27 CA |A 27 C ) -59.543 -180.000 -120.457 0.565 0.375 1 (A 26 C |A 27 N |A 27 CA |A 27 C ) -59.543 -90.000 -30.457 0.154 0.300 2 (A 26 C |A 27 N |A 27 CA |A 27 CB ) 176.983 90.000 -86.983 0.798 0.400 2 (A 26 C |A 27 N |A 27 CA |A 27 CB ) 176.983 135.000 -41.983 0.396 0.200 4 (A 26 CB |A 26 CA |A 26 C |A 27 N ) -77.997 -180.000 -102.003 0.604 0.500 1 (A 26 CB |A 26 CA |A 26 C |A 27 N ) -77.997 -45.000 32.997 0.334 0.200 4 (A 26 CB |A 26 CA |A 26 C |A 27 N ) -77.997 -108.000 -30.003 0.187 0.100 5 (A 26 CB |A 26 CA |A 26 C |A 26 O ) 101.139 180.000 78.861 0.303 0.375 1 (A 26 CB |A 26 CA |A 26 C |A 26 O ) 101.139 60.000 -41.139 0.349 0.225 3 (A 26 CB |A 26 CA |A 26 C |A 26 O ) 101.139 135.000 33.861 0.257 0.150 4 (A 27 C |A 28 N |A 28 CA |A 28 C ) -60.184 -180.000 -119.816 0.561 0.375 1 (A 27 C |A 28 N |A 28 CA |A 28 CB ) 178.108 90.000 -88.108 0.799 0.400 2 (A 27 C |A 28 N |A 28 CA |A 28 CB ) 178.108 135.000 -43.108 0.398 0.200 4 (A 27 CB |A 27 CA |A 27 C |A 28 N ) 88.563 180.000 91.437 0.513 0.500 1 (A 27 CB |A 27 CA |A 27 C |A 28 N ) 88.563 45.000 -43.563 0.399 0.200 4 (A 27 CB |A 27 CA |A 27 C |A 27 O ) -93.524 -180.000 -86.476 0.352 0.375 1 (A 27 CB |A 27 CA |A 27 C |A 27 O ) -93.524 -60.000 33.524 0.266 0.225 3 (A 27 CB |A 27 CA |A 27 C |A 27 O ) -93.524 -135.000 -41.476 0.295 0.150 4 (A 28 C |A 29 N |A 29 CA |A 29 C ) -61.944 -180.000 -118.056 0.551 0.375 1 (A 28 C |A 29 N |A 29 CA |A 29 CB ) 175.935 90.000 -85.935 0.796 0.400 2 (A 28 C |A 29 N |A 29 CA |A 29 CB ) 175.935 135.000 -40.935 0.392 0.200 4 (A 28 CB |A 28 CA |A 28 C |A 29 N ) 75.924 180.000 104.076 0.622 0.500 1 (A 28 CB |A 28 CA |A 28 C |A 29 N ) 75.924 45.000 -30.924 0.311 0.200 4 (A 28 CB |A 28 CA |A 28 C |A 29 N ) 75.924 108.000 32.076 0.194 0.100 5 (A 28 CB |A 28 CA |A 28 C |A 28 O ) -104.663 -180.000 -75.337 0.280 0.375 1 (A 28 CB |A 28 CA |A 28 C |A 28 O ) -104.663 -60.000 44.663 0.381 0.225 3 (A 28 CB |A 28 CA |A 28 C |A 28 O ) -104.663 -135.000 -30.337 0.228 0.150 4 (A 29 C |A 30 N |A 30 CA |A 30 C ) -66.145 -180.000 -113.855 0.527 0.375 1 (A 29 C |A 30 N |A 30 CA |A 30 C ) -66.145 -36.000 30.145 0.140 0.075 5 (A 29 C |A 30 N |A 30 CA |A 30 CB ) 171.340 90.000 -81.340 0.782 0.400 2 (A 29 C |A 30 N |A 30 CA |A 30 CB ) 171.340 135.000 -36.340 0.365 0.200 4 (A 29 CB |A 29 CA |A 29 C |A 30 N ) 80.293 180.000 99.707 0.584 0.500 1 (A 29 CB |A 29 CA |A 29 C |A 30 N ) 80.293 45.000 -35.293 0.356 0.200 4 (A 29 CB |A 29 CA |A 29 C |A 29 O ) -99.538 -180.000 -80.462 0.313 0.375 1 (A 29 CB |A 29 CA |A 29 C |A 29 O ) -99.538 -60.000 39.538 0.333 0.225 3 (A 29 CB |A 29 CA |A 29 C |A 29 O ) -99.538 -135.000 -35.462 0.268 0.150 4 (A 30 C |A 31 N |A 31 CA |A 31 C ) -64.669 -180.000 -115.331 0.535 0.375 1 (A 30 C |A 31 N |A 31 CA |A 31 CB ) 171.571 90.000 -81.571 0.783 0.400 2 (A 30 C |A 31 N |A 31 CA |A 31 CB ) 171.571 135.000 -36.571 0.366 0.200 4 (A 30 CB |A 30 CA |A 30 C |A 31 N ) 78.285 180.000 101.715 0.602 0.500 1 (A 30 CB |A 30 CA |A 30 C |A 31 N ) 78.285 45.000 -33.285 0.337 0.200 4 (A 30 CB |A 30 CA |A 30 C |A 30 O ) -103.071 -180.000 -76.929 0.290 0.375 1 (A 30 CB |A 30 CA |A 30 C |A 30 O ) -103.071 -60.000 43.071 0.367 0.225 3 (A 30 CB |A 30 CA |A 30 C |A 30 O ) -103.071 -135.000 -31.929 0.242 0.150 4 (A 31 C |A 32 N |A 32 CA |A 32 C ) -76.258 -180.000 -103.742 0.464 0.375 1 (A 31 C |A 32 N |A 32 CA |A 32 C ) -76.258 -45.000 31.258 0.236 0.150 4 (A 31 C |A 32 N |A 32 CA |A 32 C ) -76.258 -108.000 -31.742 0.145 0.075 5 (A 31 C |A 32 N |A 32 CA |A 32 CB ) 160.776 90.000 -70.776 0.713 0.400 2 (A 31 CB |A 31 CA |A 31 C |A 32 N ) 89.127 180.000 90.873 0.508 0.500 1 (A 31 CB |A 31 CA |A 31 C |A 32 N ) 89.127 45.000 -44.127 0.400 0.200 4 (A 31 CB |A 31 CA |A 31 C |A 31 O ) -91.628 -180.000 -88.372 0.364 0.375 1 (A 31 CB |A 31 CA |A 31 C |A 31 O ) -91.628 -60.000 31.628 0.244 0.225 3 (A 31 CB |A 31 CA |A 31 C |A 31 O ) -91.628 -135.000 -43.372 0.299 0.150 4 (A 32 C |A 33 N |A 33 CA |A 33 C ) -74.596 -180.000 -105.404 0.475 0.375 1 (A 32 C |A 33 N |A 33 CA |A 33 C ) -74.596 -108.000 -33.404 0.148 0.075 5 (A 32 C |A 33 N |A 33 CA |A 33 CB ) 162.968 90.000 -72.968 0.731 0.400 2 (A 32 CB |A 32 CA |A 32 C |A 33 N ) 88.530 180.000 91.470 0.513 0.500 1 (A 32 CB |A 32 CA |A 32 C |A 33 N ) 88.530 45.000 -43.530 0.399 0.200 4 (A 32 CB |A 32 CA |A 32 C |A 32 O ) -90.131 -180.000 -89.869 0.374 0.375 1 (A 32 CB |A 32 CA |A 32 C |A 32 O ) -90.131 -60.000 30.131 0.227 0.225 3 (A 32 CB |A 32 CA |A 32 C |A 32 O ) -90.131 -135.000 -44.869 0.300 0.150 4 (A 33 C |A 34 N |A 34 CA |A 34 C ) -78.660 -180.000 -101.340 0.449 0.375 1 (A 33 C |A 34 N |A 34 CA |A 34 C ) -78.660 -45.000 33.660 0.255 0.150 4 (A 33 C |A 34 N |A 34 CA |A 34 CB ) 156.749 90.000 -66.749 0.675 0.400 2 (A 33 CB |A 33 CA |A 33 C |A 34 N ) 67.091 180.000 112.909 0.695 0.500 1 (A 33 CB |A 33 CA |A 33 C |A 34 N ) 67.091 36.000 -31.091 0.191 0.100 5 (A 33 CB |A 33 CA |A 33 C |A 33 O ) -114.184 -180.000 -65.816 0.221 0.375 1 (A 33 CB |A 33 CA |A 33 C |A 33 O ) -114.184 -60.000 54.184 0.440 0.225 3 (A 34 C |A 35 N |A 35 CA |A 35 C ) -58.343 -180.000 -121.657 0.572 0.375 1 (A 34 C |A 35 N |A 35 CA |A 35 C ) -58.343 -90.000 -31.657 0.165 0.300 2 (A 34 C |A 35 N |A 35 CA |A 35 CB ) 178.439 90.000 -88.439 0.799 0.400 2 (A 34 C |A 35 N |A 35 CA |A 35 CB ) 178.439 135.000 -43.439 0.399 0.200 4 (A 34 CB |A 34 CA |A 34 C |A 35 N ) 106.490 180.000 73.510 0.358 0.500 1 (A 34 CB |A 34 CA |A 34 C |A 35 N ) 106.490 60.000 -46.490 0.528 0.300 3 (A 34 CB |A 34 CA |A 34 C |A 34 O ) -73.480 -180.000 -106.520 0.482 0.375 1 (A 34 CB |A 34 CA |A 34 C |A 34 O ) -73.480 -108.000 -34.520 0.149 0.075 5 (A 35 C |A 36 N |A 36 CA |A 36 C ) -60.383 -180.000 -119.617 0.560 0.375 1 (A 35 C |A 36 N |A 36 CA |A 36 CB ) 176.938 90.000 -86.938 0.798 0.400 2 (A 35 C |A 36 N |A 36 CA |A 36 CB ) 176.938 135.000 -41.938 0.395 0.200 4 (A 35 CB |A 35 CA |A 35 C |A 36 N ) 95.839 180.000 84.161 0.449 0.500 1 (A 35 CB |A 35 CA |A 35 C |A 36 N ) 95.839 60.000 -35.839 0.390 0.300 3 (A 35 CB |A 35 CA |A 35 C |A 36 N ) 95.839 135.000 39.161 0.384 0.200 4 (A 35 CB |A 35 CA |A 35 C |A 35 O ) -84.124 -180.000 -95.876 0.413 0.375 1 (A 35 CB |A 35 CA |A 35 C |A 35 O ) -84.124 -45.000 39.124 0.288 0.150 4 (A 36 C |A 37 N |A 37 CA |A 37 C ) -81.311 -180.000 -98.689 0.432 0.375 1 (A 36 C |A 37 N |A 37 CA |A 37 C ) -81.311 -45.000 36.311 0.273 0.150 4 (A 36 C |A 37 N |A 37 CA |A 37 CB ) 156.306 90.000 -66.306 0.671 0.400 2 (A 36 CB |A 36 CA |A 36 C |A 37 N ) 99.593 180.000 80.407 0.417 0.500 1 (A 36 CB |A 36 CA |A 36 C |A 37 N ) 99.593 60.000 -39.593 0.444 0.300 3 (A 36 CB |A 36 CA |A 36 C |A 37 N ) 99.593 135.000 35.407 0.357 0.200 4 (A 36 CB |A 36 CA |A 36 C |A 36 O ) -79.777 -180.000 -100.223 0.442 0.375 1 (A 36 CB |A 36 CA |A 36 C |A 36 O ) -79.777 -45.000 34.777 0.263 0.150 4 (A 37 C |A 38 N |A 38 CA |A 38 C ) 175.308 90.000 -85.308 0.596 0.300 2 (A 37 C |A 38 N |A 38 CA |A 38 C ) 175.308 135.000 -40.308 0.292 0.150 4 (A 37 CB |A 37 CA |A 37 C |A 38 N ) 80.830 180.000 99.170 0.580 0.500 1 (A 37 CB |A 37 CA |A 37 C |A 38 N ) 80.830 45.000 -35.830 0.360 0.200 4 (A 37 CB |A 37 CA |A 37 C |A 37 O ) -99.246 -180.000 -80.754 0.315 0.375 1 (A 37 CB |A 37 CA |A 37 C |A 37 O ) -99.246 -60.000 39.246 0.330 0.225 3 (A 37 CB |A 37 CA |A 37 C |A 37 O ) -99.246 -135.000 -35.754 0.270 0.150 4 (A 38 C |A 39 N |A 39 CA |A 39 C ) -67.970 -180.000 -112.030 0.516 0.375 1 (A 38 C |A 39 N |A 39 CA |A 39 C ) -67.970 -36.000 31.970 0.145 0.075 5 (A 38 C |A 39 N |A 39 CA |A 39 CB ) 169.660 90.000 -79.660 0.774 0.400 2 (A 38 C |A 39 N |A 39 CA |A 39 CB ) 169.660 135.000 -34.660 0.350 0.200 4 (A 39 C |A 40 N |A 40 CA |A 40 C ) -94.575 -180.000 -85.425 0.345 0.375 1 (A 39 C |A 40 N |A 40 CA |A 40 C ) -94.575 -60.000 34.575 0.278 0.225 3 (A 39 C |A 40 N |A 40 CA |A 40 C ) -94.575 -135.000 -40.425 0.292 0.150 4 (A 39 C |A 40 N |A 40 CA |A 40 CB ) 143.298 180.000 36.702 0.099 0.500 1 (A 39 C |A 40 N |A 40 CA |A 40 CB ) 143.298 90.000 -53.298 0.514 0.400 2 (A 39 C |A 40 N |A 40 CA |A 40 CB ) 143.298 180.000 36.702 0.403 0.300 3 (A 39 C |A 40 N |A 40 CA |A 40 CB ) 143.298 108.000 -35.298 0.200 0.100 5 (A 39 CB |A 39 CA |A 39 C |A 40 N ) -109.379 -180.000 -70.621 0.334 0.500 1 (A 39 CB |A 39 CA |A 39 C |A 40 N ) -109.379 -60.000 49.379 0.555 0.300 3 (A 39 CB |A 39 CA |A 39 C |A 39 O ) 73.414 180.000 106.586 0.482 0.375 1 (A 39 CB |A 39 CA |A 39 C |A 39 O ) 73.414 108.000 34.586 0.149 0.075 5 (A 40 C |A 41 N |A 41 CA |A 41 C ) -58.999 -180.000 -121.001 0.568 0.375 1 (A 40 C |A 41 N |A 41 CA |A 41 C ) -58.999 -90.000 -31.001 0.159 0.300 2 (A 40 C |A 41 N |A 41 CA |A 41 CB ) 177.537 90.000 -87.537 0.799 0.400 2 (A 40 C |A 41 N |A 41 CA |A 41 CB ) 177.537 135.000 -42.537 0.397 0.200 4 (A 40 CB |A 40 CA |A 40 C |A 41 N ) -101.221 -180.000 -78.779 0.403 0.500 1 (A 40 CB |A 40 CA |A 40 C |A 41 N ) -101.221 -60.000 41.221 0.466 0.300 3 (A 40 CB |A 40 CA |A 40 C |A 41 N ) -101.221 -135.000 -33.779 0.342 0.200 4 (A 40 CB |A 40 CA |A 40 C |A 40 O ) 81.087 180.000 98.913 0.433 0.375 1 (A 40 CB |A 40 CA |A 40 C |A 40 O ) 81.087 45.000 -36.087 0.272 0.150 4 (A 41 C |A 42 N |A 42 CA |A 42 C ) -129.273 -180.000 -50.727 0.138 0.375 1 (A 41 C |A 42 N |A 42 CA |A 42 C ) -129.273 -90.000 39.273 0.240 0.300 2 (A 41 C |A 42 N |A 42 CA |A 42 C ) -129.273 -180.000 -50.727 0.424 0.225 3 (A 41 C |A 42 N |A 42 CA |A 42 CB ) 109.648 180.000 70.352 0.332 0.500 1 (A 41 C |A 42 N |A 42 CA |A 42 CB ) 109.648 60.000 -49.648 0.557 0.300 3 (A 41 CB |A 41 CA |A 41 C |A 42 N ) -89.626 -180.000 -90.374 0.503 0.500 1 (A 41 CB |A 41 CA |A 41 C |A 42 N ) -89.626 -45.000 44.626 0.400 0.200 4 (A 41 CB |A 41 CA |A 41 C |A 41 O ) 91.300 180.000 88.700 0.366 0.375 1 (A 41 CB |A 41 CA |A 41 C |A 41 O ) 91.300 60.000 -31.300 0.240 0.225 3 (A 41 CB |A 41 CA |A 41 C |A 41 O ) 91.300 135.000 43.700 0.299 0.150 4 (A 42 C |A 43 N |A 43 CA |A 43 C ) -57.238 -180.000 -122.762 0.578 0.375 1 (A 42 C |A 43 N |A 43 CA |A 43 C ) -57.238 -90.000 -32.762 0.176 0.300 2 (A 42 C |A 43 N |A 43 CA |A 43 CB ) -179.589 -90.000 89.589 0.800 0.400 2 (A 42 C |A 43 N |A 43 CA |A 43 CB ) -179.589 -135.000 44.589 0.400 0.200 4 (A 42 CB |A 42 CA |A 42 C |A 43 N ) -112.502 -180.000 -67.498 0.309 0.500 1 (A 42 CB |A 42 CA |A 42 C |A 43 N ) -112.502 -60.000 52.502 0.577 0.300 3 (A 42 CB |A 42 CA |A 42 C |A 42 O ) 70.067 180.000 109.933 0.503 0.375 1 (A 42 CB |A 42 CA |A 42 C |A 42 O ) 70.067 36.000 -34.067 0.149 0.075 5 (A 43 C |A 44 N |A 44 CA |A 44 C ) -67.601 -180.000 -112.399 0.518 0.375 1 (A 43 C |A 44 N |A 44 CA |A 44 C ) -67.601 -36.000 31.601 0.145 0.075 5 (A 43 C |A 44 N |A 44 CA |A 44 CB ) 169.286 90.000 -79.286 0.772 0.400 2 (A 43 C |A 44 N |A 44 CA |A 44 CB ) 169.286 135.000 -34.286 0.347 0.200 4 (A 43 CB |A 43 CA |A 43 C |A 44 N ) -131.699 -180.000 -48.301 0.167 0.500 1 (A 43 CB |A 43 CA |A 43 C |A 44 N ) -131.699 -90.000 41.699 0.354 0.400 2 (A 43 CB |A 43 CA |A 43 C |A 44 N ) -131.699 -180.000 -48.301 0.545 0.300 3 (A 43 CB |A 43 CA |A 43 C |A 43 O ) 50.486 180.000 129.514 0.614 0.375 1 (A 43 CB |A 43 CA |A 43 C |A 43 O ) 50.486 90.000 39.514 0.243 0.300 2 (A 44 C |A 45 N |A 45 CA |A 45 C ) -78.689 -180.000 -101.311 0.449 0.375 1 (A 44 C |A 45 N |A 45 CA |A 45 C ) -78.689 -45.000 33.689 0.256 0.150 4 (A 44 C |A 45 N |A 45 CA |A 45 CB ) 158.479 90.000 -68.479 0.692 0.400 2 (A 44 CB |A 44 CA |A 44 C |A 45 N ) 103.091 180.000 76.909 0.387 0.500 1 (A 44 CB |A 44 CA |A 44 C |A 45 N ) 103.091 60.000 -43.091 0.490 0.300 3 (A 44 CB |A 44 CA |A 44 C |A 45 N ) 103.091 135.000 31.909 0.322 0.200 4 (A 44 CB |A 44 CA |A 44 C |A 44 O ) -76.447 -180.000 -103.553 0.463 0.375 1 (A 44 CB |A 44 CA |A 44 C |A 44 O ) -76.447 -45.000 31.447 0.238 0.150 4 (A 44 CB |A 44 CA |A 44 C |A 44 O ) -76.447 -108.000 -31.553 0.144 0.075 5 (A 45 C |A 46 N |A 46 CA |A 46 C ) -85.157 -180.000 -94.843 0.407 0.375 1 (A 45 C |A 46 N |A 46 CA |A 46 C ) -85.157 -45.000 40.157 0.292 0.150 4 (A 45 C |A 46 N |A 46 CA |A 46 CB ) 153.526 90.000 -63.526 0.641 0.400 2 (A 45 CB |A 45 CA |A 45 C |A 46 N ) 73.702 180.000 106.298 0.640 0.500 1 (A 45 CB |A 45 CA |A 45 C |A 46 N ) 73.702 108.000 34.298 0.199 0.100 5 (A 45 CB |A 45 CA |A 45 C |A 45 O ) -106.476 -180.000 -73.524 0.269 0.375 1 (A 45 CB |A 45 CA |A 45 C |A 45 O ) -106.476 -60.000 46.476 0.396 0.225 3 (A 46 C |A 47 N |A 47 CA |A 47 C ) 95.714 180.000 84.286 0.338 0.375 1 (A 46 C |A 47 N |A 47 CA |A 47 C ) 95.714 60.000 -35.714 0.291 0.225 3 (A 46 C |A 47 N |A 47 CA |A 47 C ) 95.714 135.000 39.286 0.288 0.150 4 (A 46 CB |A 46 CA |A 46 C |A 47 N ) 84.199 180.000 95.801 0.551 0.500 1 (A 46 CB |A 46 CA |A 46 C |A 47 N ) 84.199 45.000 -39.199 0.384 0.200 4 (A 46 CB |A 46 CA |A 46 C |A 46 O ) -96.897 -180.000 -83.103 0.330 0.375 1 (A 46 CB |A 46 CA |A 46 C |A 46 O ) -96.897 -60.000 36.897 0.305 0.225 3 (A 46 CB |A 46 CA |A 46 C |A 46 O ) -96.897 -135.000 -38.103 0.283 0.150 4 (A 47 C |A 48 N |A 48 CA |A 48 C ) -99.162 -180.000 -80.838 0.315 0.375 1 (A 47 C |A 48 N |A 48 CA |A 48 C ) -99.162 -60.000 39.162 0.329 0.225 3 (A 47 C |A 48 N |A 48 CA |A 48 C ) -99.162 -135.000 -35.838 0.270 0.150 4 (A 47 C |A 48 N |A 48 CA |A 48 CB ) 138.266 180.000 41.734 0.127 0.500 1 (A 47 C |A 48 N |A 48 CA |A 48 CB ) 138.266 90.000 -48.266 0.446 0.400 2 (A 47 C |A 48 N |A 48 CA |A 48 CB ) 138.266 180.000 41.734 0.473 0.300 3 (A 47 C |A 48 N |A 48 CA |A 48 CB ) 138.266 108.000 -30.266 0.188 0.100 5 (A 48 CB |A 48 CA |A 48 C |A 49 N ) -94.054 -180.000 -85.946 0.465 0.500 1 (A 48 CB |A 48 CA |A 48 C |A 49 N ) -94.054 -60.000 34.054 0.363 0.300 3 (A 48 CB |A 48 CA |A 48 C |A 49 N ) -94.054 -135.000 -40.946 0.392 0.200 4 (A 48 CB |A 48 CA |A 48 C |A 48 O ) 85.552 180.000 94.448 0.404 0.375 1 (A 48 CB |A 48 CA |A 48 C |A 48 O ) 85.552 45.000 -40.552 0.293 0.150 4 (A 49 C |A 50 N |A 50 CA |A 50 C ) -72.724 -180.000 -107.276 0.486 0.375 1 (A 49 C |A 50 N |A 50 CA |A 50 C ) -72.724 -108.000 -35.276 0.150 0.075 5 (A 49 C |A 50 N |A 50 CA |A 50 CB ) 165.014 90.000 -75.014 0.747 0.400 2 (A 49 C |A 50 N |A 50 CA |A 50 CB ) 165.014 135.000 -30.014 0.300 0.200 4 (A 49 CB |A 49 CA |A 49 C |A 50 N ) -104.539 -180.000 -75.461 0.374 0.500 1 (A 49 CB |A 49 CA |A 49 C |A 50 N ) -104.539 -60.000 44.539 0.507 0.300 3 (A 49 CB |A 49 CA |A 49 C |A 50 N ) -104.539 -135.000 -30.461 0.306 0.200 4 (A 49 CB |A 49 CA |A 49 C |A 49 O ) 74.870 180.000 105.130 0.473 0.375 1 (A 49 CB |A 49 CA |A 49 C |A 49 O ) 74.870 108.000 33.130 0.148 0.075 5 (A 50 C |A 51 N |A 51 CA |A 51 C ) -147.017 -180.000 -32.983 0.060 0.375 1 (A 50 C |A 51 N |A 51 CA |A 51 C ) -147.017 -90.000 57.017 0.422 0.300 2 (A 50 C |A 51 N |A 51 CA |A 51 C ) -147.017 -180.000 -32.983 0.260 0.225 3 (A 50 C |A 51 N |A 51 CA |A 51 C ) -147.017 -180.000 -32.983 0.147 0.075 5 (A 50 C |A 51 N |A 51 CA |A 51 CB ) 92.187 180.000 87.813 0.481 0.500 1 (A 50 C |A 51 N |A 51 CA |A 51 CB ) 92.187 60.000 -32.187 0.334 0.300 3 (A 50 C |A 51 N |A 51 CA |A 51 CB ) 92.187 135.000 42.813 0.398 0.200 4 (A 50 CB |A 50 CA |A 50 C |A 51 N ) -144.329 -180.000 -35.671 0.094 0.500 1 (A 50 CB |A 50 CA |A 50 C |A 51 N ) -144.329 -90.000 54.329 0.528 0.400 2 (A 50 CB |A 50 CA |A 50 C |A 51 N ) -144.329 -180.000 -35.671 0.388 0.300 3 (A 50 CB |A 50 CA |A 50 C |A 51 N ) -144.329 -180.000 -35.671 0.200 0.100 5 (A 50 CB |A 50 CA |A 50 C |A 50 O ) 35.989 180.000 144.011 0.678 0.375 1 (A 50 CB |A 50 CA |A 50 C |A 50 O ) 35.989 90.000 54.011 0.393 0.300 2 (A 51 C |A 52 N |A 52 CA |A 52 C ) -107.532 -180.000 -72.468 0.262 0.375 1 (A 51 C |A 52 N |A 52 CA |A 52 C ) -107.532 -60.000 47.532 0.404 0.225 3 (A 51 C |A 52 N |A 52 CA |A 52 CB ) 130.039 180.000 49.961 0.178 0.500 1 (A 51 C |A 52 N |A 52 CA |A 52 CB ) 130.039 90.000 -40.039 0.331 0.400 2 (A 51 C |A 52 N |A 52 CA |A 52 CB ) 130.039 180.000 49.961 0.560 0.300 3 (A 51 CB |A 51 CA |A 51 C |A 52 N ) -116.697 -180.000 -63.303 0.275 0.500 1 (A 51 CB |A 51 CA |A 51 C |A 52 N ) -116.697 -60.000 56.697 0.596 0.300 3 (A 51 CB |A 51 CA |A 51 C |A 51 O ) 62.979 180.000 117.021 0.545 0.375 1 (A 52 C |A 53 N |A 53 CA |A 53 C ) -79.368 -180.000 -100.632 0.444 0.375 1 (A 52 C |A 53 N |A 53 CA |A 53 C ) -79.368 -45.000 34.368 0.261 0.150 4 (A 52 C |A 53 N |A 53 CA |A 53 CB ) 159.796 90.000 -69.796 0.705 0.400 2 (A 52 CB |A 52 CA |A 52 C |A 53 N ) -126.358 -180.000 -53.642 0.204 0.500 1 (A 52 CB |A 52 CA |A 52 C |A 53 N ) -126.358 -90.000 36.358 0.281 0.400 2 (A 52 CB |A 52 CA |A 52 C |A 53 N ) -126.358 -180.000 -53.642 0.584 0.300 3 (A 52 CB |A 52 CA |A 52 C |A 52 O ) 55.007 180.000 124.993 0.590 0.375 1 (A 52 CB |A 52 CA |A 52 C |A 52 O ) 55.007 90.000 34.993 0.197 0.300 2 (A 53 C |A 54 N |A 54 CA |A 54 C ) -89.097 -180.000 -90.903 0.381 0.375 1 (A 53 C |A 54 N |A 54 CA |A 54 C ) -89.097 -45.000 44.097 0.300 0.150 4 (A 53 C |A 54 N |A 54 CA |A 54 CB ) 147.950 180.000 32.050 0.076 0.500 1 (A 53 C |A 54 N |A 54 CA |A 54 CB ) 147.950 90.000 -57.950 0.575 0.400 2 (A 53 C |A 54 N |A 54 CA |A 54 CB ) 147.950 180.000 32.050 0.332 0.300 3 (A 53 C |A 54 N |A 54 CA |A 54 CB ) 147.950 180.000 32.050 0.194 0.100 5 (A 53 CB |A 53 CA |A 53 C |A 54 N ) -109.023 -180.000 -70.977 0.337 0.500 1 (A 53 CB |A 53 CA |A 53 C |A 54 N ) -109.023 -60.000 49.023 0.552 0.300 3 (A 53 CB |A 53 CA |A 53 C |A 53 O ) 71.348 180.000 108.652 0.495 0.375 1 (A 53 CB |A 53 CA |A 53 C |A 53 O ) 71.348 36.000 -35.348 0.150 0.075 5 (A 54 C |A 55 N |A 55 CA |A 55 C ) -99.110 -180.000 -80.890 0.316 0.375 1 (A 54 C |A 55 N |A 55 CA |A 55 C ) -99.110 -60.000 39.110 0.328 0.225 3 (A 54 C |A 55 N |A 55 CA |A 55 C ) -99.110 -135.000 -35.890 0.271 0.150 4 (A 54 C |A 55 N |A 55 CA |A 55 CB ) 139.221 180.000 40.779 0.121 0.500 1 (A 54 C |A 55 N |A 55 CA |A 55 CB ) 139.221 90.000 -49.221 0.459 0.400 2 (A 54 C |A 55 N |A 55 CA |A 55 CB ) 139.221 180.000 40.779 0.460 0.300 3 (A 54 C |A 55 N |A 55 CA |A 55 CB ) 139.221 108.000 -31.221 0.191 0.100 5 (A 54 CB |A 54 CA |A 54 C |A 55 N ) -120.554 -180.000 -59.446 0.246 0.500 1 (A 54 CB |A 54 CA |A 54 C |A 55 N ) -120.554 -90.000 30.554 0.207 0.400 2 (A 54 CB |A 54 CA |A 54 C |A 55 N ) -120.554 -180.000 -59.446 0.600 0.300 3 (A 54 CB |A 54 CA |A 54 C |A 54 O ) 61.786 180.000 118.214 0.552 0.375 1 (A 55 C |A 56 N |A 56 CA |A 56 C ) -80.143 -180.000 -99.857 0.439 0.375 1 (A 55 C |A 56 N |A 56 CA |A 56 C ) -80.143 -45.000 35.143 0.266 0.150 4 (A 55 C |A 56 N |A 56 CA |A 56 CB ) 157.448 90.000 -67.448 0.682 0.400 2 (A 55 CB |A 55 CA |A 55 C |A 56 N ) -87.438 -180.000 -92.562 0.522 0.500 1 (A 55 CB |A 55 CA |A 55 C |A 56 N ) -87.438 -45.000 42.438 0.397 0.200 4 (A 55 CB |A 55 CA |A 55 C |A 55 O ) 93.316 180.000 86.684 0.353 0.375 1 (A 55 CB |A 55 CA |A 55 C |A 55 O ) 93.316 60.000 -33.316 0.264 0.225 3 (A 55 CB |A 55 CA |A 55 C |A 55 O ) 93.316 135.000 41.684 0.296 0.150 4 (A 56 C |A 57 N |A 57 CA |A 57 C ) -70.147 -180.000 -109.853 0.502 0.375 1 (A 56 C |A 57 N |A 57 CA |A 57 C ) -70.147 -36.000 34.147 0.149 0.075 5 (A 56 C |A 57 N |A 57 CA |A 57 CB ) 166.963 90.000 -76.963 0.759 0.400 2 (A 56 C |A 57 N |A 57 CA |A 57 CB ) 166.963 135.000 -31.963 0.323 0.200 4 (A 56 CB |A 56 CA |A 56 C |A 57 N ) -106.518 -180.000 -73.482 0.358 0.500 1 (A 56 CB |A 56 CA |A 56 C |A 57 N ) -106.518 -60.000 46.518 0.528 0.300 3 (A 56 CB |A 56 CA |A 56 C |A 56 O ) 73.159 180.000 106.841 0.484 0.375 1 (A 56 CB |A 56 CA |A 56 C |A 56 O ) 73.159 108.000 34.841 0.150 0.075 5 (A 57 C |A 58 N |A 58 CA |A 58 C ) -86.837 -180.000 -93.163 0.396 0.375 1 (A 57 C |A 58 N |A 58 CA |A 58 C ) -86.837 -45.000 41.837 0.296 0.150 4 (A 57 C |A 58 N |A 58 CA |A 58 CB ) 151.343 90.000 -61.343 0.616 0.400 2 (A 57 CB |A 57 CA |A 57 C |A 58 N ) 90.045 180.000 89.955 0.500 0.500 1 (A 57 CB |A 57 CA |A 57 C |A 58 N ) 90.045 60.000 -30.045 0.301 0.300 3 (A 57 CB |A 57 CA |A 57 C |A 58 N ) 90.045 135.000 44.955 0.400 0.200 4 (A 57 CB |A 57 CA |A 57 C |A 57 O ) -90.625 -180.000 -89.375 0.371 0.375 1 (A 57 CB |A 57 CA |A 57 C |A 57 O ) -90.625 -60.000 30.625 0.232 0.225 3 (A 57 CB |A 57 CA |A 57 C |A 57 O ) -90.625 -135.000 -44.375 0.300 0.150 4 (A 58 C |A 59 N |A 59 CA |A 59 C ) -82.162 -180.000 -97.838 0.426 0.375 1 (A 58 C |A 59 N |A 59 CA |A 59 C ) -82.162 -45.000 37.162 0.278 0.150 4 (A 58 C |A 59 N |A 59 CA |A 59 CB ) 156.040 90.000 -66.040 0.668 0.400 2 (A 58 CB |A 58 CA |A 58 C |A 59 N ) 69.308 180.000 110.692 0.677 0.500 1 (A 58 CB |A 58 CA |A 58 C |A 59 N ) 69.308 36.000 -33.308 0.197 0.100 5 (A 58 CB |A 58 CA |A 58 C |A 58 O ) -109.939 -180.000 -70.061 0.247 0.375 1 (A 58 CB |A 58 CA |A 58 C |A 58 O ) -109.939 -60.000 49.939 0.419 0.225 3 (A 59 C |A 60 N |A 60 CA |A 60 C ) 79.949 180.000 100.051 0.440 0.375 1 (A 59 C |A 60 N |A 60 CA |A 60 C ) 79.949 45.000 -34.949 0.265 0.150 4 (A 59 CB |A 59 CA |A 59 C |A 60 N ) 93.433 180.000 86.567 0.470 0.500 1 (A 59 CB |A 59 CA |A 59 C |A 60 N ) 93.433 60.000 -33.433 0.354 0.300 3 (A 59 CB |A 59 CA |A 59 C |A 60 N ) 93.433 135.000 41.567 0.394 0.200 4 (A 59 CB |A 59 CA |A 59 C |A 59 O ) -85.584 -180.000 -94.416 0.404 0.375 1 (A 59 CB |A 59 CA |A 59 C |A 59 O ) -85.584 -45.000 40.584 0.293 0.150 4 (A 60 C |A 61 N |A 61 CA |A 61 C ) -102.265 -180.000 -77.735 0.295 0.375 1 (A 60 C |A 61 N |A 61 CA |A 61 C ) -102.265 -60.000 42.265 0.360 0.225 3 (A 60 C |A 61 N |A 61 CA |A 61 C ) -102.265 -135.000 -32.735 0.248 0.150 4 (A 60 C |A 61 N |A 61 CA |A 61 CB ) 135.991 180.000 44.009 0.140 0.500 1 (A 60 C |A 61 N |A 61 CA |A 61 CB ) 135.991 90.000 -45.991 0.414 0.400 2 (A 60 C |A 61 N |A 61 CA |A 61 CB ) 135.991 180.000 44.009 0.501 0.300 3 (A 61 C |A 62 N |A 62 CA |A 62 C ) -62.376 -180.000 -117.624 0.549 0.375 1 (A 61 C |A 62 N |A 62 CA |A 62 CB ) 173.707 90.000 -83.707 0.790 0.400 2 (A 61 C |A 62 N |A 62 CA |A 62 CB ) 173.707 135.000 -38.707 0.381 0.200 4 (A 61 CB |A 61 CA |A 61 C |A 62 N ) -82.411 -180.000 -97.589 0.566 0.500 1 (A 61 CB |A 61 CA |A 61 C |A 62 N ) -82.411 -45.000 37.411 0.373 0.200 4 (A 61 CB |A 61 CA |A 61 C |A 61 O ) 95.891 180.000 84.109 0.337 0.375 1 (A 61 CB |A 61 CA |A 61 C |A 61 O ) 95.891 60.000 -35.891 0.293 0.225 3 (A 61 CB |A 61 CA |A 61 C |A 61 O ) 95.891 135.000 39.109 0.287 0.150 4 (A 62 C |A 63 N |A 63 CA |A 63 C ) -72.110 -180.000 -107.890 0.490 0.375 1 (A 62 C |A 63 N |A 63 CA |A 63 C ) -72.110 -108.000 -35.890 0.150 0.075 5 (A 62 C |A 63 N |A 63 CA |A 63 CB ) 165.766 90.000 -75.766 0.752 0.400 2 (A 62 C |A 63 N |A 63 CA |A 63 CB ) 165.766 135.000 -30.766 0.309 0.200 4 (A 62 CB |A 62 CA |A 62 C |A 63 N ) -100.063 -180.000 -79.937 0.413 0.500 1 (A 62 CB |A 62 CA |A 62 C |A 63 N ) -100.063 -60.000 40.063 0.451 0.300 3 (A 62 CB |A 62 CA |A 62 C |A 63 N ) -100.063 -135.000 -34.937 0.353 0.200 4 (A 62 CB |A 62 CA |A 62 C |A 62 O ) 80.680 180.000 99.320 0.436 0.375 1 (A 62 CB |A 62 CA |A 62 C |A 62 O ) 80.680 45.000 -35.680 0.269 0.150 4 (A 63 C |A 64 N |A 64 CA |A 64 C ) 78.728 180.000 101.272 0.448 0.375 1 (A 63 C |A 64 N |A 64 CA |A 64 C ) 78.728 45.000 -33.728 0.256 0.150 4 (A 63 CB |A 63 CA |A 63 C |A 64 N ) 107.557 180.000 72.443 0.349 0.500 1 (A 63 CB |A 63 CA |A 63 C |A 64 N ) 107.557 60.000 -47.557 0.539 0.300 3 (A 63 CB |A 63 CA |A 63 C |A 63 O ) -72.667 -180.000 -107.333 0.487 0.375 1 (A 63 CB |A 63 CA |A 63 C |A 63 O ) -72.667 -108.000 -35.333 0.150 0.075 5 (A 65 OE1 |A 65 CD |A 65 CG |A 65 CB ) 123.793 90.000 -33.793 0.619 1.000 2 (A 64 C |A 65 N |A 65 CA |A 65 C ) -130.894 -180.000 -49.106 0.130 0.375 1 (A 64 C |A 65 N |A 65 CA |A 65 C ) -130.894 -90.000 40.894 0.257 0.300 2 (A 64 C |A 65 N |A 65 CA |A 65 C ) -130.894 -180.000 -49.106 0.414 0.225 3 (A 64 C |A 65 N |A 65 CA |A 65 CB ) 107.662 180.000 72.338 0.348 0.500 1 (A 64 C |A 65 N |A 65 CA |A 65 CB ) 107.662 60.000 -47.662 0.540 0.300 3 (A 65 C |A 66 N |A 66 CA |A 66 C ) -160.798 -90.000 70.798 0.535 0.300 2 (A 65 C |A 66 N |A 66 CA |A 66 CB ) 75.617 180.000 104.383 0.624 0.500 1 (A 65 C |A 66 N |A 66 CA |A 66 CB ) 75.617 45.000 -30.617 0.307 0.200 4 (A 65 C |A 66 N |A 66 CA |A 66 CB ) 75.617 108.000 32.383 0.195 0.100 5 (A 65 CB |A 65 CA |A 65 C |A 66 N ) -88.916 -180.000 -91.084 0.509 0.500 1 (A 65 CB |A 65 CA |A 65 C |A 66 N ) -88.916 -45.000 43.916 0.399 0.200 4 (A 65 CB |A 65 CA |A 65 C |A 65 O ) 91.293 180.000 88.707 0.367 0.375 1 (A 65 CB |A 65 CA |A 65 C |A 65 O ) 91.293 60.000 -31.293 0.240 0.225 3 (A 65 CB |A 65 CA |A 65 C |A 65 O ) 91.293 135.000 43.707 0.299 0.150 4 (A 66 C |A 67 N |A 67 CA |A 67 C ) -109.393 -180.000 -70.607 0.250 0.375 1 (A 66 C |A 67 N |A 67 CA |A 67 C ) -109.393 -60.000 49.393 0.416 0.225 3 (A 66 C |A 67 N |A 67 CA |A 67 CB ) 127.926 180.000 52.074 0.193 0.500 1 (A 66 C |A 67 N |A 67 CA |A 67 CB ) 127.926 90.000 -37.926 0.302 0.400 2 (A 66 C |A 67 N |A 67 CA |A 67 CB ) 127.926 180.000 52.074 0.575 0.300 3 (A 66 CB |A 66 CA |A 66 C |A 67 N ) -81.155 -180.000 -98.845 0.577 0.500 1 (A 66 CB |A 66 CA |A 66 C |A 67 N ) -81.155 -45.000 36.155 0.363 0.200 4 (A 66 CB |A 66 CA |A 66 C |A 66 O ) 98.279 180.000 81.721 0.321 0.375 1 (A 66 CB |A 66 CA |A 66 C |A 66 O ) 98.279 60.000 -38.279 0.320 0.225 3 (A 66 CB |A 66 CA |A 66 C |A 66 O ) 98.279 135.000 36.721 0.276 0.150 4 (A 67 C |A 68 N |A 68 CA |A 68 C ) -103.610 -180.000 -76.390 0.287 0.375 1 (A 67 C |A 68 N |A 68 CA |A 68 C ) -103.610 -60.000 43.610 0.372 0.225 3 (A 67 C |A 68 N |A 68 CA |A 68 C ) -103.610 -135.000 -31.390 0.237 0.150 4 (A 67 C |A 68 N |A 68 CA |A 68 CB ) 135.262 180.000 44.738 0.145 0.500 1 (A 67 C |A 68 N |A 68 CA |A 68 CB ) 135.262 90.000 -45.262 0.404 0.400 2 (A 67 C |A 68 N |A 68 CA |A 68 CB ) 135.262 180.000 44.738 0.509 0.300 3 (A 67 CB |A 67 CA |A 67 C |A 68 N ) -119.947 -180.000 -60.053 0.250 0.500 1 (A 67 CB |A 67 CA |A 67 C |A 68 N ) -119.947 -60.000 59.947 0.600 0.300 3 (A 67 CB |A 67 CA |A 67 C |A 67 O ) 58.757 180.000 121.243 0.570 0.375 1 (A 67 CB |A 67 CA |A 67 C |A 67 O ) 58.757 90.000 31.243 0.161 0.300 2 (A 68 C |A 69 N |A 69 CA |A 69 C ) -83.476 -180.000 -96.524 0.418 0.375 1 (A 68 C |A 69 N |A 69 CA |A 69 C ) -83.476 -45.000 38.476 0.285 0.150 4 (A 68 C |A 69 N |A 69 CA |A 69 CB ) 154.263 90.000 -64.263 0.649 0.400 2 (A 68 CB |A 68 CA |A 68 C |A 69 N ) -127.198 -180.000 -52.802 0.198 0.500 1 (A 68 CB |A 68 CA |A 68 C |A 69 N ) -127.198 -90.000 37.198 0.292 0.400 2 (A 68 CB |A 68 CA |A 68 C |A 69 N ) -127.198 -180.000 -52.802 0.579 0.300 3 (A 68 CB |A 68 CA |A 68 C |A 68 O ) 53.489 180.000 126.511 0.598 0.375 1 (A 68 CB |A 68 CA |A 68 C |A 68 O ) 53.489 90.000 36.511 0.212 0.300 2 (A 69 C |A 70 N |A 70 CA |A 70 C ) -78.969 -180.000 -101.031 0.447 0.375 1 (A 69 C |A 70 N |A 70 CA |A 70 C ) -78.969 -45.000 33.969 0.258 0.150 4 (A 69 C |A 70 N |A 70 CA |A 70 CB ) 158.170 90.000 -68.170 0.689 0.400 2 (A 69 CB |A 69 CA |A 69 C |A 70 N ) -134.496 -180.000 -45.504 0.150 0.500 1 (A 69 CB |A 69 CA |A 69 C |A 70 N ) -134.496 -90.000 44.496 0.393 0.400 2 (A 69 CB |A 69 CA |A 69 C |A 70 N ) -134.496 -180.000 -45.504 0.518 0.300 3 (A 69 CB |A 69 CA |A 69 C |A 69 O ) 47.545 180.000 132.455 0.628 0.375 1 (A 69 CB |A 69 CA |A 69 C |A 69 O ) 47.545 90.000 42.455 0.273 0.300 2 (A 71 OD1 |A 71 CG |A 71 CB |A 71 CA ) 50.794 90.000 39.206 0.799 1.000 2 (A 70 C |A 71 N |A 71 CA |A 71 C ) -74.993 -180.000 -105.007 0.472 0.375 1 (A 70 C |A 71 N |A 71 CA |A 71 C ) -74.993 -108.000 -33.007 0.147 0.075 5 (A 70 C |A 71 N |A 71 CA |A 71 CB ) 161.074 90.000 -71.074 0.716 0.400 2 (A 70 CB |A 70 CA |A 70 C |A 71 N ) -82.789 -180.000 -97.211 0.563 0.500 1 (A 70 CB |A 70 CA |A 70 C |A 71 N ) -82.789 -45.000 37.789 0.375 0.200 4 (A 70 CB |A 70 CA |A 70 C |A 70 O ) 97.340 180.000 82.660 0.327 0.375 1 (A 70 CB |A 70 CA |A 70 C |A 70 O ) 97.340 60.000 -37.340 0.309 0.225 3 (A 70 CB |A 70 CA |A 70 C |A 70 O ) 97.340 135.000 37.660 0.281 0.150 4 (A 72 OD1 |A 72 CG |A 72 CB |A 72 CA ) -57.385 -90.000 -32.615 0.581 1.000 2 (A 71 C |A 72 N |A 72 CA |A 72 C ) -111.870 -180.000 -68.130 0.235 0.375 1 (A 71 C |A 72 N |A 72 CA |A 72 C ) -111.870 -60.000 51.870 0.430 0.225 3 (A 71 C |A 72 N |A 72 CA |A 72 CB ) 125.254 180.000 54.746 0.211 0.500 1 (A 71 C |A 72 N |A 72 CA |A 72 CB ) 125.254 90.000 -35.254 0.267 0.400 2 (A 71 C |A 72 N |A 72 CA |A 72 CB ) 125.254 180.000 54.746 0.589 0.300 3 (A 71 CB |A 71 CA |A 71 C |A 72 N ) 88.603 180.000 91.397 0.512 0.500 1 (A 71 CB |A 71 CA |A 71 C |A 72 N ) 88.603 45.000 -43.603 0.399 0.200 4 (A 71 CB |A 71 CA |A 71 C |A 71 O ) -91.485 -180.000 -88.515 0.365 0.375 1 (A 71 CB |A 71 CA |A 71 C |A 71 O ) -91.485 -60.000 31.485 0.242 0.225 3 (A 71 CB |A 71 CA |A 71 C |A 71 O ) -91.485 -135.000 -43.515 0.299 0.150 4 (A 72 CB |A 72 CA |A 72 C |A 73 N ) -106.661 -180.000 -73.339 0.357 0.500 1 (A 72 CB |A 72 CA |A 72 C |A 73 N ) -106.661 -60.000 46.661 0.530 0.300 3 (A 72 CB |A 72 CA |A 72 C |A 72 O ) 74.308 180.000 105.692 0.476 0.375 1 (A 72 CB |A 72 CA |A 72 C |A 72 O ) 74.308 108.000 33.692 0.148 0.075 5 (A 73 CB |A 73 CA |A 73 C |A 74 N ) 81.084 180.000 98.916 0.577 0.500 1 (A 73 CB |A 73 CA |A 73 C |A 74 N ) 81.084 45.000 -36.084 0.362 0.200 4 (A 73 CB |A 73 CA |A 73 C |A 73 O ) -98.729 -180.000 -81.271 0.318 0.375 1 (A 73 CB |A 73 CA |A 73 C |A 73 O ) -98.729 -60.000 38.729 0.324 0.225 3 (A 73 CB |A 73 CA |A 73 C |A 73 O ) -98.729 -135.000 -36.271 0.273 0.150 4 (A 74 C |A 75 N |A 75 CA |A 75 C ) -73.362 -180.000 -106.638 0.482 0.375 1 (A 74 C |A 75 N |A 75 CA |A 75 C ) -73.362 -108.000 -34.638 0.149 0.075 5 (A 74 C |A 75 N |A 75 CA |A 75 CB ) 164.892 90.000 -74.892 0.746 0.400 2 (A 74 CB |A 74 CA |A 74 C |A 75 N ) 88.110 180.000 91.890 0.516 0.500 1 (A 74 CB |A 74 CA |A 74 C |A 75 N ) 88.110 45.000 -43.110 0.398 0.200 4 (A 74 CB |A 74 CA |A 74 C |A 74 O ) -92.029 -180.000 -87.971 0.362 0.375 1 (A 74 CB |A 74 CA |A 74 C |A 74 O ) -92.029 -60.000 32.029 0.249 0.225 3 (A 74 CB |A 74 CA |A 74 C |A 74 O ) -92.029 -135.000 -42.971 0.298 0.150 4 (A 75 C |A 76 N |A 76 CA |A 76 C ) -60.048 -180.000 -119.952 0.562 0.375 1 (A 75 C |A 76 N |A 76 CA |A 76 CB ) 176.831 90.000 -86.831 0.798 0.400 2 (A 75 C |A 76 N |A 76 CA |A 76 CB ) 176.831 135.000 -41.831 0.395 0.200 4 (A 75 CB |A 75 CA |A 75 C |A 76 N ) 82.632 180.000 97.368 0.564 0.500 1 (A 75 CB |A 75 CA |A 75 C |A 76 N ) 82.632 45.000 -37.632 0.374 0.200 4 (A 75 CB |A 75 CA |A 75 C |A 75 O ) -98.549 -180.000 -81.451 0.319 0.375 1 (A 75 CB |A 75 CA |A 75 C |A 75 O ) -98.549 -60.000 38.549 0.322 0.225 3 (A 75 CB |A 75 CA |A 75 C |A 75 O ) -98.549 -135.000 -36.451 0.274 0.150 4 (A 76 C |A 77 N |A 77 CA |A 77 C ) -60.056 -180.000 -119.944 0.562 0.375 1 (A 76 C |A 77 N |A 77 CA |A 77 CB ) 176.220 90.000 -86.220 0.797 0.400 2 (A 76 C |A 77 N |A 77 CA |A 77 CB ) 176.220 135.000 -41.220 0.393 0.200 4 (A 76 CB |A 76 CA |A 76 C |A 77 N ) 73.499 180.000 106.501 0.642 0.500 1 (A 76 CB |A 76 CA |A 76 C |A 77 N ) 73.499 108.000 34.501 0.199 0.100 5 (A 76 CB |A 76 CA |A 76 C |A 76 O ) -109.366 -180.000 -70.634 0.251 0.375 1 (A 76 CB |A 76 CA |A 76 C |A 76 O ) -109.366 -60.000 49.366 0.416 0.225 3 (A 77 C |A 78 N |A 78 CA |A 78 C ) -61.025 -180.000 -118.975 0.557 0.375 1 (A 77 C |A 78 N |A 78 CA |A 78 CB ) 174.924 90.000 -84.924 0.794 0.400 2 (A 77 C |A 78 N |A 78 CA |A 78 CB ) 174.924 135.000 -39.924 0.388 0.200 4 (A 77 CB |A 77 CA |A 77 C |A 78 N ) 70.508 180.000 109.492 0.667 0.500 1 (A 77 CB |A 77 CA |A 77 C |A 78 N ) 70.508 36.000 -34.508 0.199 0.100 5 (A 77 CB |A 77 CA |A 77 C |A 77 O ) -110.125 -180.000 -69.875 0.246 0.375 1 (A 77 CB |A 77 CA |A 77 C |A 77 O ) -110.125 -60.000 50.125 0.421 0.225 3 (A 78 C |A 79 N |A 79 CA |A 79 C ) -59.704 -180.000 -120.296 0.564 0.375 1 (A 78 C |A 79 N |A 79 CA |A 79 C ) -59.704 -90.000 -30.296 0.153 0.300 2 (A 78 C |A 79 N |A 79 CA |A 79 CB ) 177.004 90.000 -87.004 0.798 0.400 2 (A 78 C |A 79 N |A 79 CA |A 79 CB ) 177.004 135.000 -42.004 0.396 0.200 4 (A 78 CB |A 78 CA |A 78 C |A 79 N ) 84.065 180.000 95.935 0.552 0.500 1 (A 78 CB |A 78 CA |A 78 C |A 79 N ) 84.065 45.000 -39.065 0.383 0.200 4 (A 78 CB |A 78 CA |A 78 C |A 78 O ) -97.859 -180.000 -82.141 0.324 0.375 1 (A 78 CB |A 78 CA |A 78 C |A 78 O ) -97.859 -60.000 37.859 0.315 0.225 3 (A 78 CB |A 78 CA |A 78 C |A 78 O ) -97.859 -135.000 -37.141 0.278 0.150 4 (A 79 C |A 80 N |A 80 CA |A 80 C ) -63.229 -180.000 -116.771 0.544 0.375 1 (A 79 C |A 80 N |A 80 CA |A 80 CB ) 174.093 90.000 -84.093 0.792 0.400 2 (A 79 C |A 80 N |A 80 CA |A 80 CB ) 174.093 135.000 -39.093 0.383 0.200 4 (A 79 CB |A 79 CA |A 79 C |A 80 N ) 89.038 180.000 90.962 0.508 0.500 1 (A 79 CB |A 79 CA |A 79 C |A 80 N ) 89.038 45.000 -44.038 0.400 0.200 4 (A 79 CB |A 79 CA |A 79 C |A 79 O ) -90.522 -180.000 -89.478 0.372 0.375 1 (A 79 CB |A 79 CA |A 79 C |A 79 O ) -90.522 -60.000 30.522 0.231 0.225 3 (A 79 CB |A 79 CA |A 79 C |A 79 O ) -90.522 -135.000 -44.478 0.300 0.150 4 (A 80 C |A 81 N |A 81 CA |A 81 C ) -60.205 -180.000 -119.795 0.561 0.375 1 (A 80 C |A 81 N |A 81 CA |A 81 CB ) 176.160 90.000 -86.160 0.796 0.400 2 (A 80 C |A 81 N |A 81 CA |A 81 CB ) 176.160 135.000 -41.160 0.393 0.200 4 (A 80 CB |A 80 CA |A 80 C |A 81 N ) 62.787 180.000 117.213 0.729 0.500 1 (A 80 CB |A 80 CA |A 80 C |A 80 O ) -119.238 -180.000 -60.762 0.192 0.375 1 (A 80 CB |A 80 CA |A 80 C |A 80 O ) -119.238 -60.000 59.238 0.450 0.225 3 (A 81 C |A 82 N |A 82 CA |A 82 C ) -79.105 -180.000 -100.895 0.446 0.375 1 (A 81 C |A 82 N |A 82 CA |A 82 C ) -79.105 -45.000 34.105 0.259 0.150 4 (A 81 C |A 82 N |A 82 CA |A 82 CB ) 158.105 90.000 -68.105 0.689 0.400 2 (A 81 CB |A 81 CA |A 81 C |A 82 N ) 91.948 180.000 88.052 0.483 0.500 1 (A 81 CB |A 81 CA |A 81 C |A 82 N ) 91.948 60.000 -31.948 0.331 0.300 3 (A 81 CB |A 81 CA |A 81 C |A 82 N ) 91.948 135.000 43.052 0.398 0.200 4 (A 81 CB |A 81 CA |A 81 C |A 81 O ) -89.453 -180.000 -90.547 0.379 0.375 1 (A 81 CB |A 81 CA |A 81 C |A 81 O ) -89.453 -45.000 44.453 0.300 0.150 4 (A 83 CD1 |A 83 CG |A 83 CB |A 83 CA ) -48.933 -90.000 -41.067 0.863 1.000 2 (A 82 C |A 83 N |A 83 CA |A 83 C ) -80.776 -180.000 -99.224 0.435 0.375 1 (A 82 C |A 83 N |A 83 CA |A 83 C ) -80.776 -45.000 35.776 0.270 0.150 4 (A 82 C |A 83 N |A 83 CA |A 83 CB ) 155.356 90.000 -65.356 0.661 0.400 2 (A 82 CB |A 82 CA |A 82 C |A 83 N ) 63.074 180.000 116.926 0.726 0.500 1 (A 82 CB |A 82 CA |A 82 C |A 82 O ) -117.647 -180.000 -62.353 0.201 0.375 1 (A 82 CB |A 82 CA |A 82 C |A 82 O ) -117.647 -60.000 57.647 0.448 0.225 3 (A 83 C |A 84 N |A 84 CA |A 84 C ) -65.784 -180.000 -114.216 0.529 0.375 1 (A 83 C |A 84 N |A 84 CA |A 84 CB ) 170.622 90.000 -80.622 0.779 0.400 2 (A 83 C |A 84 N |A 84 CA |A 84 CB ) 170.622 135.000 -35.622 0.359 0.200 4 (A 83 CB |A 83 CA |A 83 C |A 84 N ) 113.837 180.000 66.163 0.298 0.500 1 (A 83 CB |A 83 CA |A 83 C |A 84 N ) 113.837 60.000 -53.837 0.585 0.300 3 (A 83 CB |A 83 CA |A 83 C |A 83 O ) -65.052 -180.000 -114.948 0.533 0.375 1 (A 84 C |A 85 N |A 85 CA |A 85 C ) 96.273 180.000 83.727 0.334 0.375 1 (A 84 C |A 85 N |A 85 CA |A 85 C ) 96.273 60.000 -36.273 0.298 0.225 3 (A 84 C |A 85 N |A 85 CA |A 85 C ) 96.273 135.000 38.727 0.286 0.150 4 (A 84 CB |A 84 CA |A 84 C |A 85 N ) -125.262 -180.000 -54.738 0.211 0.500 1 (A 84 CB |A 84 CA |A 84 C |A 85 N ) -125.262 -90.000 35.262 0.267 0.400 2 (A 84 CB |A 84 CA |A 84 C |A 85 N ) -125.262 -180.000 -54.738 0.589 0.300 3 (A 84 CB |A 84 CA |A 84 C |A 84 O ) 56.452 180.000 123.548 0.582 0.375 1 (A 84 CB |A 84 CA |A 84 C |A 84 O ) 56.452 90.000 33.548 0.183 0.300 2 (A 85 C |A 86 N |A 86 CA |A 86 C ) -96.375 -180.000 -83.625 0.333 0.375 1 (A 85 C |A 86 N |A 86 CA |A 86 C ) -96.375 -60.000 36.375 0.299 0.225 3 (A 85 C |A 86 N |A 86 CA |A 86 C ) -96.375 -135.000 -38.625 0.285 0.150 4 (A 85 C |A 86 N |A 86 CA |A 86 CB ) 141.944 180.000 38.056 0.106 0.500 1 (A 85 C |A 86 N |A 86 CA |A 86 CB ) 141.944 90.000 -51.944 0.496 0.400 2 (A 85 C |A 86 N |A 86 CA |A 86 CB ) 141.944 180.000 38.056 0.423 0.300 3 (A 85 C |A 86 N |A 86 CA |A 86 CB ) 141.944 108.000 -33.944 0.198 0.100 5 (A 86 C |A 87 N |A 87 CA |A 87 C ) -87.528 -180.000 -92.472 0.391 0.375 1 (A 86 C |A 87 N |A 87 CA |A 87 C ) -87.528 -45.000 42.528 0.298 0.150 4 (A 86 C |A 87 N |A 87 CA |A 87 CB ) 149.237 180.000 30.763 0.070 0.500 1 (A 86 C |A 87 N |A 87 CA |A 87 CB ) 149.237 90.000 -59.237 0.591 0.400 2 (A 86 C |A 87 N |A 87 CA |A 87 CB ) 149.237 180.000 30.763 0.312 0.300 3 (A 86 C |A 87 N |A 87 CA |A 87 CB ) 149.237 180.000 30.763 0.190 0.100 5 (A 86 CB |A 86 CA |A 86 C |A 87 N ) -88.468 -180.000 -91.532 0.513 0.500 1 (A 86 CB |A 86 CA |A 86 C |A 87 N ) -88.468 -45.000 43.468 0.399 0.200 4 (A 86 CB |A 86 CA |A 86 C |A 86 O ) 90.710 180.000 89.290 0.370 0.375 1 (A 86 CB |A 86 CA |A 86 C |A 86 O ) 90.710 60.000 -30.710 0.233 0.225 3 (A 86 CB |A 86 CA |A 86 C |A 86 O ) 90.710 135.000 44.290 0.300 0.150 4 (A 87 C |A 88 N |A 88 CA |A 88 C ) -81.682 -180.000 -98.318 0.429 0.375 1 (A 87 C |A 88 N |A 88 CA |A 88 C ) -81.682 -45.000 36.682 0.275 0.150 4 (A 87 C |A 88 N |A 88 CA |A 88 CB ) 155.359 90.000 -65.359 0.661 0.400 2 (A 87 CB |A 87 CA |A 87 C |A 88 N ) -108.258 -180.000 -71.742 0.343 0.500 1 (A 87 CB |A 87 CA |A 87 C |A 88 N ) -108.258 -60.000 48.258 0.545 0.300 3 (A 87 CB |A 87 CA |A 87 C |A 87 O ) 72.503 180.000 107.497 0.488 0.375 1 (A 87 CB |A 87 CA |A 87 C |A 87 O ) 72.503 108.000 35.497 0.150 0.075 5 (A 88 C |A 89 N |A 89 CA |A 89 C ) -119.938 -180.000 -60.062 0.188 0.375 1 (A 88 C |A 89 N |A 89 CA |A 89 C ) -119.938 -60.000 59.938 0.450 0.225 3 (A 88 C |A 89 N |A 89 CA |A 89 CB ) 116.886 180.000 63.114 0.274 0.500 1 (A 88 C |A 89 N |A 89 CA |A 89 CB ) 116.886 60.000 -56.886 0.596 0.300 3 (A 88 CB |A 88 CA |A 88 C |A 89 N ) 48.119 180.000 131.881 0.834 0.500 1 (A 88 CB |A 88 CA |A 88 C |A 89 N ) 48.119 90.000 41.881 0.357 0.400 2 (A 88 CB |A 88 CA |A 88 C |A 88 O ) -133.066 -180.000 -46.934 0.119 0.375 1 (A 88 CB |A 88 CA |A 88 C |A 88 O ) -133.066 -90.000 43.066 0.280 0.300 2 (A 88 CB |A 88 CA |A 88 C |A 88 O ) -133.066 -180.000 -46.934 0.399 0.225 3 (A 89 C |A 90 N |A 90 CA |A 90 C ) 82.370 180.000 97.630 0.425 0.375 1 (A 89 C |A 90 N |A 90 CA |A 90 C ) 82.370 45.000 -37.370 0.279 0.150 4 (A 89 CB |A 89 CA |A 89 C |A 90 N ) 174.744 90.000 -84.744 0.793 0.400 2 (A 89 CB |A 89 CA |A 89 C |A 90 N ) 174.744 135.000 -39.744 0.387 0.200 4 (A 89 CB |A 89 CA |A 89 C |A 89 O ) -4.745 -180.000 -175.255 0.749 0.375 1 (A 89 CB |A 89 CA |A 89 C |A 89 O ) -4.745 -90.000 -85.255 0.596 0.300 2 (A 89 CB |A 89 CA |A 89 C |A 89 O ) -4.745 -60.000 -55.255 0.443 0.225 3 (A 89 CB |A 89 CA |A 89 C |A 89 O ) -4.745 -45.000 -40.255 0.292 0.150 4 (A 89 CB |A 89 CA |A 89 C |A 89 O ) -4.745 -36.000 -31.255 0.144 0.075 5 (A 90 C |A 91 N |A 91 CA |A 91 C ) -122.590 -180.000 -57.410 0.173 0.375 1 (A 90 C |A 91 N |A 91 CA |A 91 C ) -122.590 -90.000 32.590 0.174 0.300 2 (A 90 C |A 91 N |A 91 CA |A 91 C ) -122.590 -180.000 -57.410 0.448 0.225 3 (A 90 C |A 91 N |A 91 CA |A 91 CB ) 115.675 180.000 64.325 0.283 0.500 1 (A 90 C |A 91 N |A 91 CA |A 91 CB ) 115.675 60.000 -55.675 0.592 0.300 3 (A 91 CB |A 91 CA |A 91 C |A 92 N ) -111.700 -180.000 -68.300 0.315 0.500 1 (A 91 CB |A 91 CA |A 91 C |A 92 N ) -111.700 -60.000 51.700 0.572 0.300 3 (A 91 CB |A 91 CA |A 91 C |A 91 O ) 68.940 180.000 111.060 0.510 0.375 1 (A 91 CB |A 91 CA |A 91 C |A 91 O ) 68.940 36.000 -32.940 0.147 0.075 5 (A 92 C |A 93 N |A 93 CA |A 93 C ) -107.609 -180.000 -72.391 0.262 0.375 1 (A 92 C |A 93 N |A 93 CA |A 93 C ) -107.609 -60.000 47.609 0.404 0.225 3 (A 92 C |A 93 N |A 93 CA |A 93 CB ) 128.196 180.000 51.804 0.191 0.500 1 (A 92 C |A 93 N |A 93 CA |A 93 CB ) 128.196 90.000 -38.196 0.306 0.400 2 (A 92 C |A 93 N |A 93 CA |A 93 CB ) 128.196 180.000 51.804 0.573 0.300 3 (A 92 CB |A 92 CA |A 92 C |A 93 N ) -111.840 -180.000 -68.160 0.314 0.500 1 (A 92 CB |A 92 CA |A 92 C |A 93 N ) -111.840 -60.000 51.840 0.573 0.300 3 (A 92 CB |A 92 CA |A 92 C |A 92 O ) 67.332 180.000 112.668 0.520 0.375 1 (A 92 CB |A 92 CA |A 92 C |A 92 O ) 67.332 36.000 -31.332 0.144 0.075 5 (A 93 C |A 94 N |A 94 CA |A 94 C ) -121.807 -180.000 -58.193 0.177 0.375 1 (A 93 C |A 94 N |A 94 CA |A 94 C ) -121.807 -90.000 31.807 0.167 0.300 2 (A 93 C |A 94 N |A 94 CA |A 94 C ) -121.807 -180.000 -58.193 0.449 0.225 3 (A 93 C |A 94 N |A 94 CA |A 94 CB ) 115.190 180.000 64.810 0.287 0.500 1 (A 93 C |A 94 N |A 94 CA |A 94 CB ) 115.190 60.000 -55.190 0.591 0.300 3 (A 93 CB |A 93 CA |A 93 C |A 94 N ) -81.490 -180.000 -98.510 0.574 0.500 1 (A 93 CB |A 93 CA |A 93 C |A 94 N ) -81.490 -45.000 36.490 0.366 0.200 4 (A 93 CB |A 93 CA |A 93 C |A 93 O ) 99.916 180.000 80.084 0.310 0.375 1 (A 93 CB |A 93 CA |A 93 C |A 93 O ) 99.916 60.000 -39.916 0.337 0.225 3 (A 93 CB |A 93 CA |A 93 C |A 93 O ) 99.916 135.000 35.084 0.265 0.150 4 (A 94 C |A 95 N |A 95 CA |A 95 C ) -114.500 -180.000 -65.500 0.219 0.375 1 (A 94 C |A 95 N |A 95 CA |A 95 C ) -114.500 -60.000 54.500 0.441 0.225 3 (A 94 C |A 95 N |A 95 CA |A 95 CB ) 122.036 180.000 57.964 0.235 0.500 1 (A 94 C |A 95 N |A 95 CA |A 95 CB ) 122.036 90.000 -32.036 0.225 0.400 2 (A 94 C |A 95 N |A 95 CA |A 95 CB ) 122.036 180.000 57.964 0.598 0.300 3 (A 94 CB |A 94 CA |A 94 C |A 95 N ) -110.600 -180.000 -69.400 0.324 0.500 1 (A 94 CB |A 94 CA |A 94 C |A 95 N ) -110.600 -60.000 50.600 0.564 0.300 3 (A 94 CB |A 94 CA |A 94 C |A 94 O ) 69.551 180.000 110.449 0.506 0.375 1 (A 94 CB |A 94 CA |A 94 C |A 94 O ) 69.551 36.000 -33.551 0.148 0.075 5 (A 95 C |A 96 N |A 96 CA |A 96 C ) -147.129 -180.000 -32.871 0.060 0.375 1 (A 95 C |A 96 N |A 96 CA |A 96 C ) -147.129 -90.000 57.129 0.423 0.300 2 (A 95 C |A 96 N |A 96 CA |A 96 C ) -147.129 -180.000 -32.871 0.259 0.225 3 (A 95 C |A 96 N |A 96 CA |A 96 C ) -147.129 -180.000 -32.871 0.147 0.075 5 (A 95 C |A 96 N |A 96 CA |A 96 CB ) 92.985 180.000 87.015 0.474 0.500 1 (A 95 C |A 96 N |A 96 CA |A 96 CB ) 92.985 60.000 -32.985 0.347 0.300 3 (A 95 C |A 96 N |A 96 CA |A 96 CB ) 92.985 135.000 42.015 0.396 0.200 4 (A 95 CB |A 95 CA |A 95 C |A 96 N ) -92.441 -180.000 -87.559 0.479 0.500 1 (A 95 CB |A 95 CA |A 95 C |A 96 N ) -92.441 -60.000 32.441 0.338 0.300 3 (A 95 CB |A 95 CA |A 95 C |A 96 N ) -92.441 -135.000 -42.559 0.397 0.200 4 (A 95 CB |A 95 CA |A 95 C |A 95 O ) 88.610 180.000 91.390 0.384 0.375 1 (A 95 CB |A 95 CA |A 95 C |A 95 O ) 88.610 45.000 -43.610 0.299 0.150 4 (A 96 C |A 97 N |A 97 CA |A 97 C ) -87.396 -180.000 -92.604 0.392 0.375 1 (A 96 C |A 97 N |A 97 CA |A 97 C ) -87.396 -45.000 42.396 0.298 0.150 4 (A 96 C |A 97 N |A 97 CA |A 97 CB ) 150.090 90.000 -60.090 0.601 0.400 2 (A 96 CB |A 96 CA |A 96 C |A 97 N ) -56.436 -180.000 -123.564 0.776 0.500 1 (A 96 CB |A 96 CA |A 96 C |A 97 N ) -56.436 -90.000 -33.564 0.245 0.400 2 (A 96 CB |A 96 CA |A 96 C |A 96 O ) 124.514 180.000 55.486 0.163 0.375 1 (A 96 CB |A 96 CA |A 96 C |A 96 O ) 124.514 90.000 -34.514 0.193 0.300 2 (A 96 CB |A 96 CA |A 96 C |A 96 O ) 124.514 180.000 55.486 0.444 0.225 3 (A 97 C |A 98 N |A 98 CA |A 98 C ) -89.974 -180.000 -90.026 0.375 0.375 1 (A 97 C |A 98 N |A 98 CA |A 98 C ) -89.974 -45.000 44.974 0.300 0.150 4 (A 97 C |A 98 N |A 98 CA |A 98 CB ) 147.093 180.000 32.907 0.080 0.500 1 (A 97 C |A 98 N |A 98 CA |A 98 CB ) 147.093 90.000 -57.093 0.564 0.400 2 (A 97 C |A 98 N |A 98 CA |A 98 CB ) 147.093 180.000 32.907 0.345 0.300 3 (A 97 C |A 98 N |A 98 CA |A 98 CB ) 147.093 180.000 32.907 0.196 0.100 5 (A 97 CB |A 97 CA |A 97 C |A 98 N ) -88.173 -180.000 -91.827 0.516 0.500 1 (A 97 CB |A 97 CA |A 97 C |A 98 N ) -88.173 -45.000 43.173 0.398 0.200 4 (A 97 CB |A 97 CA |A 97 C |A 97 O ) 90.952 180.000 89.048 0.369 0.375 1 (A 97 CB |A 97 CA |A 97 C |A 97 O ) 90.952 60.000 -30.952 0.236 0.225 3 (A 97 CB |A 97 CA |A 97 C |A 97 O ) 90.952 135.000 44.048 0.300 0.150 4 (A 98 C |A 99 N |A 99 CA |A 99 C ) -146.080 -180.000 -33.920 0.064 0.375 1 (A 98 C |A 99 N |A 99 CA |A 99 C ) -146.080 -90.000 56.080 0.413 0.300 2 (A 98 C |A 99 N |A 99 CA |A 99 C ) -146.080 -180.000 -33.920 0.271 0.225 3 (A 98 C |A 99 N |A 99 CA |A 99 C ) -146.080 -180.000 -33.920 0.149 0.075 5 (A 98 C |A 99 N |A 99 CA |A 99 CB ) 89.134 180.000 90.866 0.508 0.500 1 (A 98 C |A 99 N |A 99 CA |A 99 CB ) 89.134 45.000 -44.134 0.400 0.200 4 (A 98 CB |A 98 CA |A 98 C |A 99 N ) -151.812 -90.000 61.812 0.621 0.400 2 (A 98 CB |A 98 CA |A 98 C |A 98 O ) 31.594 180.000 148.406 0.694 0.375 1 (A 98 CB |A 98 CA |A 98 C |A 98 O ) 31.594 90.000 58.406 0.435 0.300 2 The following anisotropies have delta SANI greater than the cutoff: (calc Anis) (obs Anis) (delta Anis) class RDC1 A 17 PHE N A 17 PHE HN -1.596 -4.101 2.505 A 20 GLY N A 20 GLY HN -13.524 -16.496 2.972 A 41 LYS N A 41 LYS HN -4.031 -1.378 -2.653 A 62 LEU N A 62 LEU HN -3.564 -0.119 -3.445 A 76 ALA N A 76 ALA HN 16.065 19.110 -3.045 A 80 ILE N A 80 ILE HN 17.409 19.766 -2.357 A 84 ASP N A 84 ASP HN 15.902 19.295 -3.393 A 85 GLY N A 85 GLY HN -12.213 -15.636 3.423 The following anisotropies have delta SANI greater than the cutoff: (calc Anis) (obs Anis) (delta Anis) class RDC2 A 14 ASN N A 14 ASN HN -12.715 -8.780 -3.935 A 21 LEU N A 21 LEU HN -10.538 -7.420 -3.118 A 22 GLY N A 22 GLY HN 0.720 2.884 -2.164 A 25 VAL N A 25 VAL HN 6.805 3.831 2.974 A 35 LYS N A 35 LYS HN 9.739 12.251 -2.512 A 53 LEU N A 53 LEU HN -1.819 -4.004 2.185 A 58 GLU N A 58 GLU HN 4.538 0.454 4.084 A 61 LYS N A 61 LYS HN 4.142 6.661 -2.519 A 63 LYS N A 63 LYS HN -15.110 -12.945 -2.165 A 80 ILE N A 80 ILE HN -7.232 -9.248 2.016 A 81 ASP N A 81 ASP HN -7.515 -9.817 2.302 A 86 LYS N A 86 LYS HN -14.685 -16.751 2.066 overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,sani energies: 478.862, 318.528, 282.89, 96.4091, 438.481, -693.342, -44.6881, 20.42, 4.39234, 55.7719