==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-07 3B9X . COMPND 2 MOLECULE: PYRIMIDINE-SPECIFIC RIBONUCLEOSIDE HYDROLASE RIHB . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.IOVANE,M.DEGANO . 1202 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 808 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 81 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 9 0 0 1 9 4 4 4 4 5 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 11 7 1 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 . 1 2 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 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 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 3 A K 0 0 170 0, 0.0 2,-0.6 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 120.4 -1.4 32.7 30.5 2 4 A R E -a 27 0A 44 24,-2.8 26,-2.7 243,-0.0 2,-0.3 -0.847 360.0-138.9 -91.5 117.0 -0.9 30.3 27.5 3 5 A K E -a 28 0A 72 -2,-0.6 115,-2.5 113,-0.4 2,-0.3 -0.575 32.0-179.4 -69.2 130.4 -1.2 32.1 24.1 4 6 A I E -ab 29 118A 0 24,-2.6 26,-2.5 -2,-0.3 27,-0.7 -0.978 33.2-151.9-134.6 148.6 -3.2 29.9 21.7 5 7 A I E -ab 31 119A 1 113,-1.7 115,-2.5 -2,-0.3 2,-0.7 -0.998 25.7-149.3-108.9 120.1 -4.5 29.8 18.1 6 8 A L E -ab 32 120A 0 25,-1.9 27,-2.2 -2,-0.5 2,-0.5 -0.851 11.4-168.9 -96.4 115.7 -7.6 27.6 18.1 7 9 A D E +ab 33 121A 1 113,-1.9 115,-2.5 -2,-0.7 116,-0.3 -0.913 25.9 149.0-106.2 119.6 -8.0 25.8 14.7 8 10 A C E -a 34 0A 0 25,-2.7 27,-1.9 -2,-0.5 115,-0.2 -0.905 49.8-140.9-152.6 171.8 -11.5 24.1 14.5 9 11 A D - 0 0 1 -2,-0.3 29,-0.5 113,-0.3 5,-0.1 -0.561 50.2-116.9-138.0 63.3 -14.4 23.0 12.3 10 12 A P + 0 0 0 0, 0.0 38,-0.3 0, 0.0 37,-0.3 -0.244 55.4 142.4 -68.9 131.8 -17.5 23.8 14.4 11 13 A G > - 0 0 0 36,-0.1 4,-1.6 27,-0.1 74,-0.1 -0.067 68.1 -74.2 98.9 119.6 -19.0 21.5 15.2 12 14 A H H > S+ 0 0 0 72,-0.2 4,-1.3 2,-0.2 3,-0.2 0.946 129.2 36.9 -68.0 -55.4 -20.7 20.9 18.5 13 15 A D H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.803 111.6 62.0 -70.8 -27.8 -17.7 20.2 20.8 14 16 A D H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 101.7 52.9 -56.0 -40.8 -15.7 22.7 18.9 15 17 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.905 107.9 49.8 -66.2 -38.8 -18.2 25.3 20.1 16 18 A I H X S+ 0 0 3 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.894 110.4 50.7 -61.0 -42.1 -17.7 24.2 23.7 17 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.885 109.9 49.9 -62.6 -40.9 -13.9 24.5 23.2 18 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 110.4 51.4 -62.8 -44.3 -14.4 28.1 21.8 19 21 A M H X S+ 0 0 3 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.917 114.7 41.6 -59.6 -47.7 -16.5 28.9 24.8 20 22 A M H >X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.8 0.946 114.7 48.7 -66.3 -48.2 -13.9 27.6 27.3 21 23 A A H 3< S+ 0 0 0 -4,-2.6 8,-0.3 1,-0.3 -2,-0.2 0.826 109.9 51.5 -63.1 -39.7 -10.8 29.1 25.6 22 24 A A H 3< S+ 0 0 37 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.750 117.9 37.6 -66.8 -25.0 -12.2 32.5 25.2 23 25 A K H << S+ 0 0 81 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.1 0.808 86.9 94.3-105.4 -35.4 -13.2 32.8 28.9 24 26 A H >< - 0 0 21 -4,-2.1 3,-1.8 1,-0.1 279,-0.0 -0.441 65.4-140.5 -71.1 129.3 -10.6 31.2 31.1 25 27 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.673 100.2 63.7 -62.3 -19.0 -7.9 33.6 32.5 26 28 A A T 3 S+ 0 0 33 -25,-0.1 -24,-2.8 2,-0.0 2,-0.4 0.493 97.1 69.4 -81.7 -5.7 -5.2 30.9 32.0 27 29 A I E < -a 2 0A 5 -3,-1.8 2,-0.7 -26,-0.2 -24,-0.2 -0.961 61.7-162.6-117.1 128.6 -5.8 31.0 28.2 28 30 A D E -a 3 0A 53 -26,-2.7 -24,-2.6 -2,-0.4 2,-0.9 -0.893 16.6-157.8-105.9 96.2 -4.9 34.0 25.9 29 31 A L E +a 4 0A 16 -2,-0.7 -24,-0.2 -8,-0.3 3,-0.1 -0.696 15.7 177.1 -83.4 104.2 -7.0 33.2 22.7 30 32 A L E - 0 0 46 -26,-2.5 2,-0.3 -2,-0.9 -25,-0.2 0.837 60.0 -28.0 -76.2 -39.7 -5.2 35.1 19.9 31 33 A G E -a 5 0A 0 -27,-0.7 -25,-1.9 28,-0.1 2,-0.5 -0.974 50.5-121.1-173.4 158.0 -7.5 34.0 17.1 32 34 A I E -ac 6 61A 1 28,-2.3 30,-2.8 -2,-0.3 2,-0.4 -0.972 22.7-166.2-115.1 122.4 -9.7 31.3 15.7 33 35 A T E -ac 7 62A 0 -27,-2.2 -25,-2.7 -2,-0.5 2,-0.4 -0.880 12.5-144.2-105.9 142.4 -8.9 29.6 12.3 34 36 A I E -ac 8 63A 0 28,-2.5 30,-1.5 -2,-0.4 2,-0.3 -0.857 15.9-176.5-112.8 141.4 -11.6 27.5 10.6 35 37 A V - 0 0 0 -27,-1.9 2,-0.1 -2,-0.4 90,-0.0 -0.958 33.3-105.8-129.1 146.3 -11.1 24.3 8.5 36 38 A A S S+ 0 0 6 29,-2.3 4,-0.2 -2,-0.3 90,-0.2 -0.462 72.5 103.8 -64.5 149.4 -13.6 22.2 6.6 37 39 A G S S+ 0 0 2 2,-2.8 39,-0.4 86,-0.1 -1,-0.1 -0.375 73.3 39.0-178.2 -93.7 -14.4 18.9 8.4 38 40 A N S S- 0 0 7 -29,-0.5 38,-2.3 37,-0.2 2,-0.3 0.852 138.2 -6.5 -44.2 -43.5 -17.6 18.3 10.3 39 41 A Q S S- 0 0 13 36,-0.2 -2,-2.8 -30,-0.1 35,-0.1 -0.846 101.2 -66.0-140.5 174.1 -19.2 20.2 7.5 40 42 A T >> - 0 0 45 -2,-0.3 4,-2.3 -4,-0.2 3,-0.8 -0.232 53.8-105.7 -58.0 152.6 -18.0 22.1 4.4 41 43 A L H 3> S+ 0 0 23 25,-0.3 4,-2.4 1,-0.2 5,-0.3 0.856 118.2 61.7 -57.0 -39.9 -16.1 25.4 5.1 42 44 A D H 3> S+ 0 0 100 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.917 114.3 37.8 -49.0 -40.9 -19.0 27.7 4.1 43 45 A K H <> S+ 0 0 58 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.889 114.4 50.4 -81.0 -46.2 -21.0 26.0 7.0 44 46 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.809 109.4 54.3 -64.4 -32.4 -18.2 25.6 9.7 45 47 A L H X S+ 0 0 31 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.950 110.0 45.1 -62.8 -51.2 -17.3 29.3 9.2 46 48 A I H X S+ 0 0 82 -4,-1.3 4,-3.2 -5,-0.3 5,-0.2 0.922 112.8 51.0 -59.0 -46.2 -20.9 30.4 9.9 47 49 A N H X S+ 0 0 9 -4,-2.4 4,-1.9 -37,-0.3 -1,-0.2 0.932 111.7 49.0 -57.6 -47.9 -21.2 28.1 12.9 48 50 A G H X S+ 0 0 1 -4,-2.3 4,-1.8 -38,-0.3 -2,-0.2 0.927 113.4 45.4 -52.6 -52.8 -17.9 29.6 14.2 49 51 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.910 111.3 53.2 -60.6 -44.8 -19.1 33.2 13.7 50 52 A N H X S+ 0 0 18 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.839 106.9 52.3 -56.4 -39.8 -22.5 32.4 15.3 51 53 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.969 113.1 43.0 -65.2 -51.0 -20.9 31.0 18.4 52 54 A C H <>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 4,-0.2 0.826 115.5 49.3 -63.6 -37.8 -18.7 34.1 18.9 53 55 A Q H ><5S+ 0 0 35 -4,-2.5 3,-1.2 3,-0.2 -2,-0.2 0.963 112.1 47.7 -67.9 -51.3 -21.5 36.5 18.1 54 56 A K H 3<5S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 119.8 38.5 -49.4 -43.3 -24.0 34.7 20.5 55 57 A L T 3<5S- 0 0 10 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.335 109.9-122.9 -95.5 5.4 -21.4 34.6 23.3 56 58 A E T < 5 + 0 0 117 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.2 0.893 47.9 170.2 47.8 49.5 -20.1 38.1 22.5 57 59 A I < - 0 0 10 -5,-2.8 2,-0.9 -6,-0.1 -1,-0.2 -0.794 25.4-153.6 -87.2 124.5 -16.5 36.8 22.0 58 60 A N + 0 0 142 -2,-0.5 -5,-0.0 -36,-0.1 -1,-0.0 -0.676 47.4 123.9-103.5 77.4 -14.3 39.5 20.5 59 61 A V - 0 0 24 -2,-0.9 -28,-0.1 -27,-0.0 -29,-0.1 -0.995 66.6-104.7-136.5 132.3 -11.7 37.4 18.7 60 62 A P - 0 0 48 0, 0.0 -28,-2.3 0, 0.0 2,-0.4 -0.402 32.6-151.3 -57.9 131.1 -10.7 37.6 15.0 61 63 A V E -c 32 0A 4 35,-0.4 37,-3.2 -30,-0.2 2,-0.4 -0.943 11.5-167.5-106.3 132.3 -12.1 34.6 13.0 62 64 A Y E -c 33 0A 25 -30,-2.8 -28,-2.5 -2,-0.4 2,-0.3 -0.961 16.2-134.3-124.0 132.8 -10.2 33.4 9.8 63 65 A A E +c 34 0A 23 35,-0.5 39,-2.6 -2,-0.4 40,-0.2 -0.665 32.7 171.1 -82.9 135.8 -11.4 31.0 7.1 64 66 A G - 0 0 2 -30,-1.5 -29,-0.2 -2,-0.3 -1,-0.1 0.094 42.4 -3.7-115.3-132.1 -8.9 28.4 6.0 65 67 A M - 0 0 1 1,-0.1 -29,-2.3 -31,-0.1 -1,-0.2 -0.459 41.1-167.8 -71.3 123.2 -8.8 25.2 3.9 66 68 A P S S+ 0 0 27 0, 0.0 -25,-0.3 0, 0.0 -1,-0.1 0.450 76.7 33.5 -84.7 1.7 -12.1 24.2 2.3 67 69 A Q S S- 0 0 43 372,-0.3 -31,-0.1 -27,-0.1 5,-0.1 -0.988 89.3 -97.0-152.1 153.8 -10.6 20.8 1.3 68 70 A P - 0 0 7 0, 0.0 100,-0.1 0, 0.0 5,-0.1 -0.251 43.9-107.4 -68.3 165.0 -8.0 18.2 2.5 69 71 A I S S- 0 0 8 1,-0.1 370,-0.1 310,-0.1 411,-0.1 0.774 98.9 -13.8 -67.4 -29.2 -4.5 18.4 1.0 70 72 A M S S+ 0 0 10 369,-0.1 3,-0.1 409,-0.1 -1,-0.1 0.616 108.0 81.3-136.0 -47.8 -5.0 15.3 -1.2 71 73 A R S S- 0 0 36 1,-0.1 2,-0.3 96,-0.1 3,-0.1 -0.107 83.9 -85.5 -73.7 167.8 -7.9 12.9 -0.5 72 74 A Q - 0 0 127 1,-0.1 -1,-0.1 -5,-0.1 -2,-0.0 -0.569 58.2-103.1 -66.9 130.1 -11.6 13.1 -1.6 73 75 A Q - 0 0 61 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.1 -0.178 39.3-176.4 -59.2 143.6 -13.6 15.1 0.9 74 76 A I - 0 0 37 93,-0.2 2,-0.2 -35,-0.1 -35,-0.0 -0.966 4.2-163.8-133.7 150.1 -15.8 13.6 3.5 75 77 A V - 0 0 39 -2,-0.3 -37,-0.2 -37,-0.0 -36,-0.2 -0.736 23.5-128.4-120.3 179.4 -18.1 15.2 6.1 76 78 A A > + 0 0 2 -38,-2.3 4,-2.1 -39,-0.4 3,-0.3 -0.437 49.6 140.7-126.6 57.7 -19.9 14.2 9.3 77 79 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 7,-0.1 0.844 72.1 66.8 -58.1 -32.1 -23.5 15.4 8.7 78 80 A N H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 150,-0.1 0.897 113.6 25.6 -57.9 -44.5 -24.4 12.1 10.5 79 81 A I H 4 S+ 0 0 7 -3,-0.3 145,-0.2 -41,-0.1 -1,-0.2 0.842 135.6 30.8 -82.8 -39.0 -23.0 13.2 13.9 80 82 A H H X S- 0 0 11 -4,-2.1 6,-1.1 -42,-0.2 4,-0.5 0.325 102.2-127.0-114.8 1.2 -23.3 17.0 13.5 81 83 A G T < - 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.071 39.4 -54.7 79.0 175.1 -26.3 17.5 11.3 82 84 A D T 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.885 137.0 40.2 -59.9 -47.3 -27.1 19.4 8.1 83 85 A T T 4 S- 0 0 64 -3,-0.1 -1,-0.2 -6,-0.1 -36,-0.2 0.699 108.1-122.2 -73.0 -19.7 -25.9 22.8 9.4 84 86 A G S < S+ 0 0 0 -4,-0.5 -72,-0.2 -3,-0.2 -3,-0.2 0.232 105.6 50.8 90.7 -10.9 -22.9 21.2 11.1 85 87 A L S S+ 0 0 3 -74,-0.1 -4,-0.1 -75,-0.1 2,-0.1 -0.251 73.2 171.9-151.4 50.9 -24.2 22.7 14.4 86 88 A D + 0 0 45 -6,-1.1 134,-0.2 1,-0.2 135,-0.2 -0.377 52.0 57.0 -64.8 141.3 -27.9 21.8 14.8 87 89 A G S S+ 0 0 50 1,-0.3 130,-0.2 133,-0.1 -1,-0.2 -0.708 82.1 68.0 144.3 -86.8 -29.4 22.7 18.1 88 90 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.248 70.0-122.5 -69.6 151.3 -29.1 26.4 19.1 89 91 A V - 0 0 98 -3,-0.1 2,-0.4 -2,-0.0 127,-0.1 -0.739 27.9-170.9 -85.7 140.8 -30.9 29.5 17.6 90 92 A F - 0 0 47 -2,-0.3 3,-0.1 -37,-0.0 -39,-0.1 -0.999 19.1-127.7-134.5 134.7 -28.7 32.3 16.3 91 93 A E - 0 0 138 -2,-0.4 3,-0.1 1,-0.2 -37,-0.1 -0.201 53.7 -66.5 -67.6 165.8 -29.7 35.7 15.2 92 94 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.288 65.6 -95.9 -60.1 147.6 -28.6 37.0 11.7 93 95 A L + 0 0 61 1,-0.1 -43,-0.1 -3,-0.1 -47,-0.0 -0.393 39.7 175.8 -70.7 129.0 -24.8 37.5 11.5 94 96 A T + 0 0 123 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.021 67.8 60.3-117.0 23.3 -23.6 41.0 12.2 95 97 A R - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -46,-0.1 -0.937 64.9-161.8-142.6 167.9 -20.0 39.9 11.9 96 98 A Q - 0 0 156 -2,-0.3 -35,-0.4 -47,-0.1 3,-0.1 -0.954 28.9 -78.2-150.6 163.2 -17.7 38.3 9.4 97 99 A A - 0 0 28 -2,-0.3 -35,-0.2 1,-0.1 -51,-0.0 -0.330 51.8-107.4 -59.6 138.0 -14.5 36.4 8.6 98 100 A E - 0 0 87 -37,-3.2 -35,-0.5 1,-0.1 -1,-0.1 -0.280 27.4-123.0 -56.6 156.3 -11.2 38.4 8.5 99 101 A S S S+ 0 0 129 -37,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.854 85.7 94.3 -76.0 -31.7 -10.0 38.8 4.9 100 102 A T S S- 0 0 59 1,-0.1 -37,-0.3 2,-0.1 2,-0.1 -0.305 86.4-111.5 -58.7 136.6 -6.6 37.3 5.6 101 103 A H > - 0 0 56 1,-0.1 4,-2.9 -39,-0.1 3,-0.2 -0.461 22.1-121.6 -70.6 144.5 -6.5 33.5 4.8 102 104 A A H > S+ 0 0 0 -39,-2.6 4,-1.9 1,-0.2 -38,-0.2 0.842 111.0 53.8 -55.4 -39.5 -6.2 31.3 7.9 103 105 A V H > S+ 0 0 2 -40,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 111.1 44.6 -65.3 -44.9 -2.9 29.7 6.6 104 106 A K H > S+ 0 0 105 -3,-0.2 4,-2.8 1,-0.2 5,-0.3 0.905 111.5 54.3 -64.3 -46.5 -1.2 33.1 6.1 105 107 A Y H X S+ 0 0 21 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.877 109.0 48.4 -51.6 -40.7 -2.5 34.3 9.5 106 108 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.925 114.8 45.5 -68.4 -44.3 -0.9 31.2 11.2 107 109 A I H X S+ 0 0 15 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.960 116.3 42.1 -63.2 -58.7 2.4 31.7 9.4 108 110 A D H X S+ 0 0 74 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.873 115.0 50.8 -57.4 -45.1 2.7 35.5 10.0 109 111 A T H X S+ 0 0 36 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.870 114.9 43.2 -63.0 -39.8 1.5 35.4 13.6 110 112 A L H >< S+ 0 0 0 -4,-1.9 3,-0.6 -5,-0.2 5,-0.4 0.923 114.4 49.8 -71.6 -44.6 4.0 32.6 14.4 111 113 A M H 3< S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.906 112.9 47.0 -58.7 -45.5 6.9 34.3 12.5 112 114 A A H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.659 102.3 90.2 -67.9 -21.2 6.3 37.6 14.3 113 115 A S S << S- 0 0 19 -4,-0.6 -3,-0.1 -3,-0.6 28,-0.0 -0.039 84.3-119.8 -73.9 178.6 6.1 35.8 17.7 114 116 A D - 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