==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-DEC-11 3V9W . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 817 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.2 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 . 26 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 4 0 0 7 1 4 0 0 0 2 0 2 1 0 0 3 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 4 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 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 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 9 A G >> 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-2.0 0.000 360.0 360.0 360.0 27.8 18.9 6.2 -13.3 2 10 A L H 3> + 0 0 8 1,-0.3 4,-0.8 2,-0.2 6,-0.1 0.872 360.0 39.8 -52.2 -41.6 15.3 5.0 -13.3 3 11 A a H 34>S+ 0 0 10 99,-0.5 5,-1.0 1,-0.2 -1,-0.3 0.310 109.7 60.6 -94.6 8.4 16.4 1.9 -11.5 4 12 A D H X45S+ 0 0 136 -3,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.674 99.7 59.0 -90.0 -28.0 18.8 3.9 -9.3 5 13 A R H 3<5S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.874 115.3 29.4 -69.7 -40.7 15.9 5.8 -8.0 6 14 A F T ><5S- 0 0 0 -4,-0.8 3,-3.0 3,-0.3 -1,-0.2 -0.351 116.1 -95.4-121.0 52.6 13.9 2.9 -6.5 7 15 A R T < 5S- 0 0 101 -3,-0.7 -3,-0.2 348,-0.3 3,-0.1 0.777 93.0 -42.2 36.2 41.5 16.7 0.4 -5.6 8 16 A G T 3 > - 0 0 75 1,-0.2 4,-2.7 -3,-0.1 3,-0.5 -0.787 56.0-165.9 -95.2 107.0 -13.3 -10.0 -4.7 23 31 A A T 34 S+ 0 0 13 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.717 86.4 48.2 -64.9 -22.3 -10.0 -10.6 -6.6 24 32 A K T 34 S+ 0 0 166 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.762 126.1 20.7 -90.1 -26.4 -10.4 -14.4 -6.5 25 33 A T T <4 S+ 0 0 66 -3,-0.5 36,-3.1 35,-0.1 2,-0.4 0.559 103.7 84.6-120.7 -15.2 -14.0 -14.8 -7.6 26 34 A D B < S-e 61 0B 6 -4,-2.7 -6,-0.2 34,-0.2 36,-0.2 -0.765 81.6-103.8-100.6 140.0 -14.9 -11.6 -9.5 27 35 A A - 0 0 0 34,-2.1 -8,-2.6 -2,-0.4 2,-0.5 -0.238 19.3-132.3 -61.5 139.0 -14.1 -11.1 -13.2 28 36 A L E +B 18 0A 4 -10,-0.2 -10,-0.3 27,-0.2 29,-0.1 -0.810 30.5 174.3 -80.0 130.7 -11.2 -8.9 -14.4 29 37 A L E + 0 0 0 -12,-3.2 25,-2.8 -2,-0.5 2,-0.3 0.658 55.3 6.2-115.2 -24.3 -12.8 -6.8 -17.1 30 38 A E E -BC 17 53A 13 -13,-1.8 -13,-2.3 23,-0.3 -1,-0.4 -0.985 53.7-171.7-160.8 147.4 -10.1 -4.3 -18.2 31 39 A I E -BC 16 52A 1 21,-2.5 21,-3.2 -2,-0.3 2,-0.4 -0.989 1.1-175.5-147.2 138.0 -6.4 -3.5 -17.6 32 40 A A E -BC 15 51A 0 -17,-2.2 -17,-1.9 -2,-0.3 2,-0.4 -0.992 6.7-165.6-131.5 143.5 -4.2 -0.7 -18.6 33 41 A A E -BC 14 50A 0 17,-2.8 17,-2.9 -2,-0.4 2,-0.4 -0.990 6.4-171.8-132.7 136.9 -0.4 -0.3 -18.0 34 42 A I E -BC 13 49A 2 -21,-2.5 -21,-2.8 -2,-0.4 15,-0.2 -0.968 10.8-156.3-130.0 115.6 1.9 2.7 -18.3 35 43 A T E -B 12 0A 1 13,-2.4 12,-3.2 -2,-0.4 2,-0.3 -0.425 16.4-135.6 -80.6 165.2 5.7 2.3 -18.0 36 44 A L E - C 0 46A 2 -25,-0.6 2,-0.3 10,-0.3 8,-0.0 -0.837 14.7-164.8-123.6 158.6 7.8 5.2 -16.9 37 45 A K E - C 0 45A 95 8,-2.9 8,-2.3 -2,-0.3 2,-0.5 -0.968 13.3-139.2-138.5 157.2 11.1 6.7 -18.0 38 46 A M E - C 0 44A 44 -2,-0.3 6,-0.2 6,-0.2 -36,-0.2 -0.972 21.1-137.3-116.9 129.8 13.6 9.2 -16.6 39 47 A D > - 0 0 51 4,-2.3 3,-1.7 -2,-0.5 -37,-0.0 -0.113 35.8 -92.1 -75.9 179.8 15.2 11.9 -18.7 40 48 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 126.8 56.3 -68.9 -17.7 18.9 12.8 -18.7 41 49 A Q T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.408 121.9-104.6 -94.0 -0.5 18.1 15.5 -16.1 42 50 A G S < S+ 0 0 20 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.600 71.9 141.6 93.4 13.5 16.5 13.0 -13.7 43 51 A W - 0 0 83 151,-0.0 -4,-2.3 1,-0.0 2,-0.4 -0.670 44.7-130.2 -94.4 145.2 12.9 13.8 -14.2 44 52 A L E +C 38 0A 4 143,-0.3 -6,-0.2 -2,-0.3 147,-0.1 -0.746 34.8 153.7 -99.4 136.4 10.1 11.2 -14.4 45 53 A M E -C 37 0A 60 -8,-2.3 -8,-2.9 -2,-0.4 139,-0.1 -0.975 47.2 -80.3-153.1 161.3 7.5 10.9 -17.1 46 54 A P E +C 36 0A 50 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.352 41.6 175.7 -65.2 146.3 5.2 8.3 -18.7 47 55 A D E + 0 0 76 -12,-3.2 2,-0.4 1,-0.3 -11,-0.2 0.658 54.7 12.3-113.6 -85.5 6.8 6.1 -21.4 48 56 A T E - 0 0 56 -12,-0.0 -13,-2.4 46,-0.0 2,-0.4 -0.813 59.1-155.3-107.2 140.3 4.8 3.3 -23.0 49 57 A T E +C 34 0A 77 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.955 12.5 176.4-116.5 129.1 1.0 2.7 -22.7 50 58 A L E -C 33 0A 27 -17,-2.9 -17,-2.8 -2,-0.4 2,-0.3 -0.949 3.7-177.5-123.3 152.2 -0.8 -0.6 -23.1 51 59 A H E -C 32 0A 62 -2,-0.3 2,-0.4 -19,-0.3 -19,-0.2 -0.974 1.9-178.7-153.2 130.7 -4.6 -1.3 -22.7 52 60 A F E -C 31 0A 39 -21,-3.2 -21,-2.5 -2,-0.3 2,-0.4 -0.994 23.6-141.3-134.8 135.6 -6.7 -4.5 -22.9 53 61 A H E -C 30 0A 59 -2,-0.4 29,-2.9 27,-0.4 2,-0.4 -0.797 33.1-146.8 -84.2 134.4 -10.4 -5.3 -22.6 54 62 A V B -f 82 0C 2 -25,-2.8 29,-0.2 -2,-0.4 27,-0.1 -0.897 6.4-130.5-115.4 132.3 -10.5 -8.6 -20.7 55 63 A E - 0 0 93 27,-3.3 29,-0.3 -2,-0.4 -27,-0.2 -0.621 39.0-102.2 -75.9 131.7 -13.1 -11.4 -21.1 56 64 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.332 45.6-110.8 -54.1 128.6 -14.6 -12.5 -17.8 57 65 A F > - 0 0 54 1,-0.2 3,-2.3 -29,-0.1 2,-0.3 -0.171 43.3 -81.3 -63.6 157.0 -12.9 -15.8 -16.9 58 66 A V T 3 S+ 0 0 143 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.444 120.4 14.2 -64.6 122.1 -14.9 -19.0 -17.0 59 67 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.315 93.0 152.1 95.8 -6.6 -16.9 -19.3 -13.8 60 68 A A < - 0 0 20 -3,-2.3 -1,-0.3 1,-0.1 2,-0.3 -0.243 43.3-125.4 -60.0 141.3 -16.2 -15.7 -12.9 61 69 A N B -e 26 0B 64 -36,-3.1 -34,-2.1 -3,-0.1 2,-0.5 -0.633 18.8-154.4 -83.7 146.1 -18.8 -13.9 -10.8 62 70 A L - 0 0 69 -2,-0.3 -42,-0.1 -36,-0.2 3,-0.1 -0.965 1.2-155.3-126.8 117.0 -20.3 -10.6 -12.0 63 71 A Q >> - 0 0 66 -44,-2.7 4,-2.0 -2,-0.5 3,-1.3 -0.803 8.6-150.8 -92.5 115.5 -21.6 -8.0 -9.6 64 72 A P H 3> S+ 0 0 88 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.842 98.1 59.4 -50.7 -37.7 -24.3 -5.7 -11.3 65 73 A E H 3> S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -45,-0.1 0.844 106.5 47.3 -62.3 -34.5 -23.2 -2.9 -8.9 66 74 A A H <> S+ 0 0 16 -3,-1.3 4,-2.8 -47,-0.3 5,-0.3 0.938 112.8 47.4 -68.3 -48.6 -19.7 -3.1 -10.3 67 75 A L H X S+ 0 0 39 -4,-2.0 4,-1.0 1,-0.2 5,-0.3 0.847 111.1 52.9 -61.7 -35.1 -21.0 -3.1 -13.9 68 76 A A H < S+ 0 0 81 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.890 112.3 46.5 -63.8 -39.6 -23.2 -0.2 -13.0 69 77 A F H < S+ 0 0 123 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.935 120.3 33.6 -71.1 -49.7 -20.1 1.6 -11.6 70 78 A N H < S- 0 0 20 -4,-2.8 -1,-0.2 -52,-0.2 -2,-0.2 0.441 97.0-132.1 -91.0 0.5 -17.6 1.1 -14.5 71 79 A G < + 0 0 65 -4,-1.0 2,-0.4 -5,-0.3 -3,-0.1 0.638 51.9 154.2 61.4 15.3 -20.3 1.2 -17.2 72 80 A I - 0 0 20 -5,-0.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.633 35.2-158.2 -83.2 126.7 -18.8 -2.0 -18.7 73 81 A D > - 0 0 81 -2,-0.4 3,-1.6 -3,-0.1 6,-0.2 -0.845 3.0-168.1-102.3 95.9 -21.1 -4.2 -20.8 74 82 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.447 83.2 59.1 -63.9 0.3 -19.4 -7.7 -20.7 75 83 A N T 3 S+ 0 0 116 4,-0.0 -3,-0.0 3,-0.0 -2,-0.0 0.620 70.1 107.0-106.6 -17.6 -21.8 -8.8 -23.5 76 84 A D X - 0 0 66 -3,-1.6 3,-2.7 1,-0.2 4,-0.2 -0.514 54.4-159.8 -66.7 105.4 -21.0 -6.3 -26.3 77 85 A P G > S+ 0 0 117 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.629 89.4 69.6 -64.2 -11.6 -19.1 -8.4 -28.8 78 86 A D G 3 S+ 0 0 141 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.640 75.1 86.6 -74.7 -15.8 -17.8 -5.1 -30.1 79 87 A R G < S- 0 0 31 -3,-2.7 -1,-0.2 -6,-0.2 -26,-0.1 0.802 86.0-144.1 -57.5 -32.0 -15.8 -4.8 -26.9 80 88 A G < - 0 0 56 -3,-0.6 -27,-0.4 -4,-0.2 -1,-0.1 0.875 29.6-177.9 69.5 39.5 -12.9 -6.8 -28.4 81 89 A A - 0 0 24 -27,-0.1 -27,-0.3 -29,-0.1 2,-0.3 -0.350 10.5-160.0 -73.3 149.4 -12.1 -8.5 -25.2 82 90 A V B -f 54 0C 41 -29,-2.9 -27,-3.3 1,-0.1 -1,-0.0 -0.751 30.6 -83.5-119.3 170.2 -9.2 -10.9 -24.8 83 91 A S > - 0 0 58 -2,-0.3 4,-2.1 -29,-0.2 5,-0.2 -0.332 36.9-115.2 -68.8 156.0 -8.4 -13.6 -22.3 84 92 A G H > S+ 0 0 19 -29,-0.3 4,-2.4 1,-0.2 5,-0.3 0.881 118.8 57.1 -55.9 -39.7 -6.6 -12.6 -19.0 85 93 A Y H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 106.7 47.7 -55.8 -49.7 -3.7 -14.7 -20.2 86 94 A E H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.896 112.5 48.2 -61.0 -43.4 -3.4 -12.7 -23.4 87 95 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.943 116.0 41.8 -65.7 -48.4 -3.6 -9.3 -21.6 88 96 A L H X S+ 0 0 1 -4,-2.4 4,-3.8 2,-0.2 5,-0.2 0.879 112.6 53.4 -67.5 -39.6 -1.0 -10.1 -19.0 89 97 A H H X S+ 0 0 60 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.904 111.4 46.1 -64.3 -40.2 1.4 -11.9 -21.3 90 98 A E H X S+ 0 0 73 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.920 116.5 44.9 -67.2 -44.0 1.4 -8.9 -23.7 91 99 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.944 111.9 52.4 -64.0 -47.6 1.9 -6.5 -20.7 92 100 A F H X S+ 0 0 1 -4,-3.8 4,-3.2 1,-0.2 5,-0.2 0.870 104.8 57.0 -57.2 -37.0 4.6 -8.7 -19.2 93 101 A K H X S+ 0 0 135 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.931 110.4 42.8 -61.8 -44.5 6.5 -8.8 -22.5 94 102 A V H X S+ 0 0 43 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.910 116.4 48.2 -65.9 -44.0 6.8 -5.0 -22.5 95 103 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.946 109.1 52.4 -62.3 -48.4 7.6 -4.8 -18.8 96 104 A R H X S+ 0 0 79 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.859 109.1 52.1 -56.8 -37.2 10.2 -7.5 -19.1 97 105 A K H < S+ 0 0 149 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.957 108.4 49.5 -60.7 -51.6 11.9 -5.6 -21.9 98 106 A G H >X S+ 0 0 14 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.807 106.7 57.1 -61.3 -33.5 12.0 -2.3 -19.9 99 107 A I H ><>S+ 0 0 16 -4,-2.0 5,-2.3 1,-0.2 3,-1.6 0.984 108.5 40.5 -63.1 -62.7 13.6 -4.0 -16.9 100 108 A K T 3<5S+ 0 0 164 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.295 111.5 62.3 -75.2 13.5 16.7 -5.5 -18.4 101 109 A A T <45S+ 0 0 85 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.516 108.0 37.4-111.1 -13.0 17.2 -2.3 -20.5 102 110 A S T <<5S- 0 0 50 -3,-1.6 -99,-0.5 -4,-0.5 -2,-0.2 0.147 118.8 -97.4-124.4 16.8 17.6 0.1 -17.7 103 111 A G T 5S+ 0 0 71 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.708 74.5 154.7 75.3 21.5 19.6 -2.0 -15.3 104 112 A a < - 0 0 14 -5,-2.3 -1,-0.2 -6,-0.3 -95,-0.2 -0.364 37.5-161.1 -83.5 160.9 16.5 -2.9 -13.4 105 113 A N - 0 0 135 -97,-2.5 2,-0.3 1,-0.4 -96,-0.2 0.771 68.4 -5.4-107.5 -41.4 15.9 -6.0 -11.3 106 114 A R E -a 9 0A 78 -98,-1.1 -96,-2.7 -7,-0.1 -1,-0.4 -0.962 66.6-110.0-151.7 160.7 12.2 -6.3 -10.9 107 115 A A E -ad 10 135A 0 27,-3.1 29,-2.6 -2,-0.3 2,-0.4 -0.699 25.3-160.2 -92.9 152.1 9.0 -4.5 -11.7 108 116 A I E -a 11 0A 1 -98,-2.1 -96,-2.6 -2,-0.3 2,-0.4 -1.000 19.9-120.2-132.5 135.5 6.8 -2.9 -9.0 109 117 A M E -ad 12 140A 1 30,-0.6 32,-3.0 -2,-0.4 2,-0.5 -0.589 17.8-161.3 -79.5 128.5 3.2 -1.9 -9.5 110 118 A V E +ad 13 141A 0 -98,-2.5 -96,-2.8 -2,-0.4 2,-0.3 -0.940 32.0 145.3-102.2 124.5 2.1 1.7 -9.0 111 119 A A E > - d 0 142A 0 30,-1.7 32,-2.0 -2,-0.5 3,-1.0 -0.992 54.8 -99.7-160.2 157.3 -1.6 1.9 -8.4 112 120 A H T 3 S- 0 0 29 -98,-0.3 5,-0.1 1,-0.3 30,-0.1 -0.754 117.3 -1.6 -92.3 113.1 -4.2 3.9 -6.5 113 121 A N T > S- 0 0 34 -2,-0.8 3,-2.3 230,-0.1 4,-0.5 0.928 95.4-165.2 61.4 58.2 -5.1 1.9 -3.5 114 122 A A T <> S+ 0 0 0 -3,-1.0 4,-2.7 1,-0.3 5,-0.3 0.647 72.3 74.3 -56.4 -27.4 -2.6 -0.5 -5.0 115 123 A N H 3> S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.868 96.5 54.7 -57.5 -32.4 -3.5 -3.5 -3.0 116 124 A F H <> S+ 0 0 63 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.974 111.7 38.0 -63.0 -59.7 -6.6 -3.7 -5.1 117 125 A D H > S+ 0 0 5 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.869 116.0 54.6 -65.2 -34.7 -5.1 -3.8 -8.5 118 126 A H H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.919 106.9 50.1 -64.9 -43.6 -2.2 -6.0 -7.3 119 127 A S H X S+ 0 0 47 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.911 112.8 47.0 -61.2 -42.1 -4.6 -8.6 -5.9 120 128 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.898 112.4 48.9 -68.9 -40.1 -6.5 -8.7 -9.2 121 129 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.939 113.0 47.4 -62.9 -45.5 -3.4 -9.0 -11.3 122 130 A M H X S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.865 112.1 50.4 -64.5 -36.3 -2.0 -11.7 -9.2 123 131 A A H X S+ 0 0 15 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.921 111.7 47.4 -67.4 -44.1 -5.3 -13.6 -9.3 124 132 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.902 111.1 51.6 -62.2 -42.8 -5.4 -13.3 -13.1 125 133 A A H <>S+ 0 0 6 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.881 111.3 48.1 -61.6 -37.7 -1.8 -14.5 -13.4 126 134 A E H ><5S+ 0 0 144 -4,-1.8 3,-0.6 3,-0.2 -2,-0.2 0.890 108.6 52.0 -74.6 -38.0 -2.6 -17.5 -11.2 127 135 A R H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.9 44.7 -62.6 -36.0 -5.8 -18.5 -13.1 128 136 A A T 3<5S- 0 0 35 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.520 110.1-127.2 -85.5 -7.1 -3.8 -18.4 -16.4 129 137 A S T < 5 + 0 0 77 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.838 40.0 179.7 63.0 35.0 -0.9 -20.3 -14.7 130 138 A L < - 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