==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, PROTEIN BINDING 23-MAY-12 4FBQ . COMPND 2 MOLECULE: DNA REPAIR AND TELOMERE MAINTENANCE PROTEIN NBS1, . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR C.B.SCHILLER,K.LAMMENS,K.P.HOPFNER . 820 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 98 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 3 0 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 5 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 3 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 477 A D > 0 0 118 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -62.6 -20.0 42.4 -15.1 2 478 A D T 4 + 0 0 151 1,-0.3 4,-0.1 2,-0.2 3,-0.1 0.841 360.0 36.7 -47.7 -41.2 -17.1 43.2 -12.8 3 479 A K T >> S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.724 105.8 67.8 -86.3 -24.3 -19.5 43.6 -9.8 4 480 A A H 3> S+ 0 0 24 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.806 96.7 56.5 -62.0 -30.4 -21.8 40.8 -11.0 5 481 A F H 3X S+ 0 0 44 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.596 105.6 50.8 -74.8 -16.2 -19.0 38.3 -10.2 6 482 A E H <> S+ 0 0 87 -3,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.750 104.1 55.6 -91.7 -32.8 -19.0 39.7 -6.6 7 483 A E H X S+ 0 0 73 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.894 110.8 49.2 -59.8 -40.7 -22.7 39.2 -6.3 8 484 A N H < S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.857 108.2 50.5 -65.6 -42.2 -21.9 35.6 -7.3 9 485 A R H < S+ 0 0 201 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.1 44.5 -66.7 -36.2 -19.1 35.2 -4.7 10 486 A R H < S+ 0 0 144 -4,-1.8 -2,-0.2 2,-0.0 -1,-0.2 0.885 95.8 84.9 -79.1 -40.6 -21.2 36.4 -1.8 11 487 A L < + 0 0 56 -4,-2.0 2,-0.3 -5,-0.2 3,-0.1 -0.417 62.1 169.5 -63.7 130.0 -24.4 34.4 -2.7 12 488 A R + 0 0 151 1,-0.2 236,-0.2 -2,-0.2 238,-0.1 -0.912 42.9 23.1-141.0 168.7 -24.3 30.9 -1.3 13 489 A N S S- 0 0 45 234,-1.7 -1,-0.2 236,-0.4 235,-0.2 0.882 75.3-175.9 41.7 59.6 -26.4 27.8 -0.7 14 490 A L + 0 0 9 234,-1.4 236,-0.3 233,-0.2 195,-0.1 -0.373 42.1 25.0 -85.3 165.6 -28.9 28.5 -3.4 15 491 A G S S- 0 0 12 193,-0.7 2,-0.4 -2,-0.1 199,-0.2 -0.281 99.4 -65.0 69.1-167.5 -32.0 26.5 -4.2 16 492 A S E -a 214 0A 41 197,-2.0 199,-3.7 195,-0.1 2,-0.5 -0.954 30.5-153.9-123.7 133.4 -33.6 24.4 -1.5 17 493 A V E +a 215 0A 52 -2,-0.4 2,-0.3 197,-0.2 199,-0.2 -0.922 26.8 169.3 -99.2 124.8 -32.4 21.4 0.5 18 494 A E E -a 216 0A 95 197,-3.1 199,-2.8 -2,-0.5 2,-0.2 -0.807 27.5-118.1-126.1 167.9 -35.3 19.2 1.8 19 495 A Y E -a 217 0A 83 -2,-0.3 2,-0.3 197,-0.2 197,-0.0 -0.659 24.3-167.9-109.7 169.0 -35.4 15.8 3.3 20 496 A I E a 218 0A 71 197,-1.7 199,-2.1 -2,-0.2 200,-0.4 -0.989 360.0 360.0-159.6 141.3 -37.1 12.6 2.2 21 497 A R 0 0 269 -2,-0.3 -2,-0.0 197,-0.2 0, 0.0 -0.467 360.0 360.0 -68.3 360.0 -38.0 9.1 3.4 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 518 A R 0 0 196 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 127.6 -16.7 -10.5 1.0 24 519 A K - 0 0 147 88,-0.1 2,-0.6 90,-0.1 91,-0.0 -0.657 360.0-152.3 -89.0 139.3 -20.4 -9.6 0.6 25 520 A N + 0 0 87 -2,-0.3 89,-0.2 1,-0.1 91,-0.0 -0.918 21.4 168.6-117.0 109.1 -22.2 -9.8 -2.8 26 521 A F + 0 0 67 87,-3.0 2,-0.2 -2,-0.6 91,-0.2 0.403 50.5 102.3 -97.7 0.6 -25.2 -7.5 -3.4 27 522 A K - 0 0 20 86,-0.4 104,-0.2 1,-0.1 103,-0.1 -0.539 63.7-146.2 -84.4 152.2 -25.5 -8.3 -7.1 28 523 A K + 0 0 132 102,-1.5 2,-0.3 -2,-0.2 103,-0.1 0.146 44.4 140.6-111.5 21.0 -28.2 -10.6 -8.3 29 524 A F - 0 0 33 101,-0.3 2,-0.4 106,-0.1 105,-0.2 -0.492 27.7-172.8 -65.9 122.1 -26.5 -12.4 -11.2 30 525 A Q 0 0 78 103,-1.8 -2,-0.1 -2,-0.3 106,-0.0 -0.910 360.0 360.0-106.8 145.6 -27.3 -16.1 -11.4 31 526 A K 0 0 148 -2,-0.4 511,-0.0 511,-0.0 488,-0.0 -0.642 360.0 360.0-121.4 360.0 -25.8 -18.6 -13.7 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 541 A S 0 0 87 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.1 -11.4 -2.9 3.4 34 1015 A E + 0 0 128 152,-0.1 155,-0.1 -11,-0.1 -10,-0.1 0.483 360.0 40.6-125.7 -15.5 -15.1 -3.5 4.1 35 1016 A N S S+ 0 0 35 152,-0.2 271,-0.6 153,-0.1 2,-0.5 0.042 93.3 93.2-123.3 24.0 -16.3 -0.0 4.9 36 1017 A T E -C 305 0B 18 269,-0.2 2,-0.4 153,-0.1 269,-0.2 -0.907 64.7-146.8-124.5 103.9 -14.4 1.9 2.3 37 1018 A I E -C 304 0B 0 267,-1.9 267,-2.2 -2,-0.5 2,-0.6 -0.532 12.8-152.1 -71.0 123.8 -16.1 2.6 -1.0 38 1019 A R E +C 303 0B 45 -2,-0.4 39,-2.2 265,-0.2 40,-1.7 -0.885 17.9 177.0-106.1 119.9 -13.6 2.7 -3.9 39 1020 A I E -Cd 302 78B 0 263,-2.4 263,-3.8 -2,-0.6 2,-0.6 -0.981 23.4-144.1-127.6 124.1 -14.6 4.8 -6.9 40 1021 A L E -Cd 301 79B 0 38,-2.3 40,-2.9 -2,-0.4 2,-0.4 -0.765 24.0-158.2 -84.6 122.2 -12.6 5.5 -10.1 41 1022 A I E +Cd 300 80B 0 259,-3.0 259,-2.7 -2,-0.6 2,-0.3 -0.875 27.5 135.0-110.0 135.5 -13.1 9.1 -11.2 42 1023 A S E - d 0 81B 2 38,-1.7 40,-1.5 -2,-0.4 2,-0.3 -0.908 24.6-161.5-155.5 175.9 -12.6 10.4 -14.7 43 1024 A S + 0 0 0 239,-0.7 241,-0.4 -2,-0.3 41,-0.1 -0.975 54.3 24.1-155.3 169.4 -14.5 12.7 -17.1 44 1025 A D + 0 0 0 39,-1.8 240,-1.3 -2,-0.3 241,-0.5 0.786 48.1 165.5 44.7 57.9 -14.8 13.7 -20.7 45 1026 A P - 0 0 3 0, 0.0 40,-0.2 0, 0.0 4,-0.2 0.804 26.5-157.7 -72.6 -26.7 -13.4 10.7 -22.6 46 1027 A H > - 0 0 2 38,-2.5 3,-2.7 40,-0.2 40,-0.3 0.899 12.1-153.9 51.7 46.1 -14.9 12.1 -25.9 47 1028 A V B 3 S+h 86 0C 1 38,-3.5 40,-2.7 1,-0.3 41,-0.5 -0.275 78.1 32.8 -51.2 133.3 -14.9 8.6 -27.5 48 1029 A G T > S+ 0 0 2 1,-0.3 3,-2.0 38,-0.2 -1,-0.3 0.116 82.3 143.3 101.2 -18.4 -14.8 9.1 -31.2 49 1030 A Y T < S+ 0 0 45 -3,-2.7 11,-0.6 1,-0.3 -1,-0.3 -0.362 76.5 3.6 -66.1 122.7 -12.7 12.3 -31.0 50 1031 A G T > S+ 0 0 25 -2,-0.2 3,-1.8 -3,-0.1 -1,-0.3 0.637 84.5 150.7 81.3 12.8 -10.1 12.5 -33.9 51 1032 A E T < + 0 0 35 -3,-2.0 -2,-0.1 1,-0.3 6,-0.1 0.637 67.7 47.5 -38.5 -34.7 -11.5 9.2 -35.4 52 1033 A K T 3 S+ 0 0 205 -4,-0.2 -1,-0.3 4,-0.1 -3,-0.1 0.416 84.8 111.6-101.2 -0.6 -10.6 10.1 -39.0 53 1034 A D <> - 0 0 61 -3,-1.8 4,-2.3 1,-0.1 5,-0.1 -0.622 64.1-142.8 -82.9 130.4 -7.1 11.2 -38.3 54 1035 A P T 4 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.725 100.3 26.6 -69.1 -23.8 -4.4 8.9 -39.7 55 1036 A V T 4 S+ 0 0 65 356,-0.2 3,-0.4 2,-0.0 4,-0.1 0.826 132.3 33.4 -98.0 -48.4 -2.1 9.3 -36.6 56 1037 A R T >4 S+ 0 0 40 355,-0.2 3,-1.9 1,-0.2 4,-0.4 0.507 81.9 109.4 -91.9 -5.2 -4.6 10.2 -33.8 57 1038 A G T 3< S+ 0 0 4 -4,-2.3 4,-0.2 1,-0.3 -1,-0.2 0.651 83.4 39.9 -49.0 -26.2 -7.6 8.1 -34.8 58 1039 A N T 3> S+ 0 0 90 -3,-0.4 4,-2.7 -5,-0.1 -1,-0.3 0.512 85.8 95.2-107.5 -3.6 -7.4 5.5 -32.0 59 1040 A D H <> S+ 0 0 21 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.914 84.6 51.1 -50.4 -53.5 -6.4 7.8 -29.0 60 1041 A S H > S+ 0 0 0 -11,-0.6 4,-2.1 -4,-0.4 -1,-0.2 0.884 114.1 44.6 -56.2 -39.1 -10.0 8.2 -27.8 61 1042 A F H > S+ 0 0 7 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 114.5 46.6 -75.6 -44.5 -10.6 4.5 -27.8 62 1043 A V H X S+ 0 0 74 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.909 116.3 45.5 -61.1 -42.7 -7.3 3.4 -26.2 63 1044 A S H X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.892 111.1 50.6 -74.3 -39.9 -7.6 6.0 -23.5 64 1045 A F H X S+ 0 0 5 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.891 112.0 50.1 -57.9 -39.2 -11.2 5.3 -22.7 65 1046 A N H X S+ 0 0 33 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.891 104.8 58.0 -67.3 -36.8 -10.2 1.7 -22.4 66 1047 A E H X S+ 0 0 13 -4,-2.0 4,-3.5 1,-0.2 5,-0.3 0.930 101.7 54.4 -53.8 -52.7 -7.3 2.5 -20.1 67 1048 A I H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.839 113.1 42.0 -51.0 -42.1 -9.7 4.1 -17.6 68 1049 A L H X S+ 0 0 1 -4,-1.1 4,-2.1 -3,-0.2 -1,-0.2 0.881 113.2 53.8 -77.5 -38.8 -11.8 1.0 -17.4 69 1050 A E H X S+ 0 0 72 -4,-2.7 4,-3.7 2,-0.2 5,-0.2 0.945 110.2 46.4 -54.8 -53.5 -8.7 -1.3 -17.3 70 1051 A I H X S+ 0 0 13 -4,-3.5 4,-3.1 1,-0.2 -2,-0.2 0.934 109.3 55.9 -55.0 -49.0 -7.2 0.7 -14.4 71 1052 A A H <>S+ 0 0 0 -4,-1.7 5,-2.0 -5,-0.3 -1,-0.2 0.886 114.4 39.2 -51.2 -44.1 -10.6 0.5 -12.6 72 1053 A R H ><5S+ 0 0 107 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.935 115.4 51.2 -73.5 -47.0 -10.5 -3.3 -13.0 73 1054 A E H 3<5S+ 0 0 115 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.883 112.5 46.7 -57.3 -40.2 -6.8 -3.7 -12.2 74 1055 A R T 3<5S- 0 0 81 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.259 108.4-126.7 -89.0 9.2 -7.1 -1.6 -9.0 75 1056 A D T < 5 + 0 0 63 -3,-1.8 -3,-0.2 -5,-0.1 -37,-0.1 0.810 42.0 176.7 53.4 42.6 -10.2 -3.6 -7.9 76 1057 A V < - 0 0 0 -5,-2.0 -37,-0.2 -6,-0.2 -1,-0.1 -0.261 35.3-130.5 -75.3 163.2 -12.5 -0.5 -7.4 77 1058 A D S S- 0 0 3 -39,-2.2 2,-0.3 1,-0.2 -38,-0.2 0.768 79.8 -13.0 -83.7 -26.1 -16.1 -0.8 -6.3 78 1059 A M E -d 39 0B 0 -40,-1.7 -38,-2.3 61,-0.2 2,-0.4 -0.963 60.0-118.0-167.2 172.4 -17.5 1.5 -9.0 79 1060 A I E -de 40 141B 0 61,-2.2 63,-3.0 -2,-0.3 2,-0.5 -0.992 18.6-165.4-133.0 129.5 -16.7 4.1 -11.7 80 1061 A L E -de 41 142B 0 -40,-2.9 -38,-1.7 -2,-0.4 2,-0.4 -0.972 8.6-171.0-123.4 124.9 -18.0 7.7 -11.7 81 1062 A L E -de 42 143B 5 61,-2.2 63,-1.5 -2,-0.5 -38,-0.3 -0.915 25.0-141.6-123.4 140.8 -17.8 9.8 -14.9 82 1063 A G - 0 0 0 -40,-1.5 -39,-0.1 -2,-0.4 177,-0.1 0.238 55.3-106.4 -85.3 13.3 -18.4 13.6 -15.4 83 1064 A G S S+ 0 0 0 -41,-0.1 -39,-1.8 176,-0.1 177,-0.3 -0.213 85.5 101.8 94.9 179.8 -20.0 13.2 -18.8 84 1065 A D + 0 0 2 -40,-0.2 -38,-2.5 60,-0.1 -37,-0.2 0.896 41.5 160.8 63.0 42.2 -19.1 13.9 -22.5 85 1066 A I + 0 0 3 -40,-0.2 -38,-3.5 -41,-0.2 2,-0.4 0.880 64.5 39.4 -56.9 -42.1 -18.5 10.1 -22.9 86 1067 A F B -h 47 0C 0 -40,-0.3 -38,-0.2 1,-0.1 -40,-0.2 -0.891 70.0-147.3-114.4 143.2 -18.8 10.5 -26.7 87 1068 A H S S+ 0 0 43 -40,-2.7 2,-0.3 -2,-0.4 -39,-0.1 0.910 84.0 55.8 -72.7 -45.4 -17.5 13.4 -28.9 88 1069 A D S S- 0 0 64 -41,-0.5 60,-0.1 1,-0.1 -2,-0.0 -0.724 76.9-135.2 -94.3 139.5 -20.3 13.2 -31.5 89 1070 A N S S+ 0 0 76 -2,-0.3 66,-0.5 1,-0.3 -1,-0.1 0.893 111.9 32.9 -56.5 -44.2 -24.0 13.5 -30.6 90 1071 A K S S- 0 0 96 64,-0.1 -1,-0.3 65,-0.1 59,-0.0 -0.777 98.1-149.8-109.3 88.4 -24.6 10.6 -33.0 91 1072 A P - 0 0 14 0, 0.0 -43,-0.1 0, 0.0 -2,-0.0 -0.152 20.5-102.7 -54.6 140.6 -21.3 8.6 -32.6 92 1073 A S > - 0 0 37 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.071 33.8-107.4 -52.6 160.0 -20.0 6.6 -35.5 93 1074 A R H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.940 122.2 51.9 -58.9 -46.1 -20.6 2.8 -35.4 94 1075 A K H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.957 109.2 49.0 -52.4 -57.7 -16.8 2.3 -34.6 95 1076 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.940 114.0 45.3 -50.0 -52.3 -16.9 4.8 -31.7 96 1077 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 113.9 51.2 -60.0 -41.6 -20.1 3.1 -30.2 97 1078 A Y H X S+ 0 0 24 -4,-2.8 4,-3.5 -5,-0.2 -2,-0.2 0.965 108.9 48.2 -59.8 -57.4 -18.6 -0.3 -30.8 98 1079 A Q H X S+ 0 0 34 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.891 112.2 49.5 -52.5 -49.6 -15.2 0.4 -29.0 99 1080 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.928 114.1 45.5 -54.2 -47.5 -16.9 1.9 -26.0 100 1081 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.914 112.7 51.1 -67.2 -42.0 -19.2 -1.1 -25.7 101 1082 A R H X S+ 0 0 92 -4,-3.5 4,-2.9 2,-0.2 5,-0.3 0.973 112.8 45.0 -55.6 -54.5 -16.3 -3.5 -26.2 102 1083 A S H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 5,-0.4 0.898 114.9 48.4 -59.0 -45.0 -14.2 -1.8 -23.5 103 1084 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.2 5,-0.4 0.932 113.9 46.7 -59.0 -46.7 -17.2 -1.6 -21.1 104 1085 A R H X S+ 0 0 10 -4,-3.0 4,-1.0 -5,-0.2 -2,-0.2 0.924 117.5 40.7 -65.9 -45.2 -18.1 -5.3 -21.7 105 1086 A L H < S+ 0 0 63 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.854 125.4 34.4 -76.1 -33.0 -14.5 -6.7 -21.3 106 1087 A N H < S+ 0 0 6 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.840 120.7 42.6 -89.9 -30.2 -13.5 -4.5 -18.3 107 1088 A C H < S+ 0 0 3 -4,-2.6 31,-2.5 -5,-0.4 32,-1.9 0.647 98.3 73.6 -98.9 -13.4 -16.8 -4.1 -16.3 108 1089 A L B < +I 137 0D 16 -4,-1.0 2,-0.3 -5,-0.4 29,-0.2 -0.786 59.1 100.7-103.0 147.8 -18.3 -7.6 -16.4 109 1090 A G S S- 0 0 16 27,-1.8 -3,-0.0 -2,-0.3 -4,-0.0 -0.932 78.5 -72.4 165.9-179.3 -17.1 -10.6 -14.3 110 1091 A D S S+ 0 0 123 -2,-0.3 27,-0.1 2,-0.1 3,-0.1 0.523 79.8 124.9 -77.1 -12.3 -17.6 -12.7 -11.2 111 1092 A K - 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