==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ENDORIBONUCLEASE) 11-JUL-90 1RNH . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.YANG,W.A.HENDRICKSON,R.J.CROUCH,Y.SATOW . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 12 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 1 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 1 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 . 1 0 0 0 0 0 0 0 2 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 0 1 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 2 A L 0 0 207 0, 0.0 3,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -0.9 41.6 87.5 34.7 2 3 A K + 0 0 112 1,-0.5 61,-0.7 61,-0.1 2,-0.1 -0.028 360.0 103.9 161.2 -27.7 42.0 83.9 33.3 3 4 A Q E -a 63 0A 76 59,-0.1 25,-0.5 61,-0.0 -1,-0.5 -0.344 55.8-150.8 -75.5 155.5 38.7 82.6 34.4 4 5 A V E -aB 64 27A 0 59,-1.6 61,-2.3 23,-0.1 2,-0.5 -0.994 6.5-155.1-129.3 125.8 35.6 81.9 32.3 5 6 A E E -aB 65 26A 78 21,-1.8 21,-2.7 -2,-0.4 2,-0.4 -0.956 15.6-170.2-104.7 125.1 32.1 82.2 33.9 6 7 A I E -aB 66 25A 1 59,-2.8 61,-2.3 -2,-0.5 2,-0.4 -0.969 9.6-169.5-121.2 139.5 29.6 80.1 32.1 7 8 A F E -aB 67 24A 15 17,-2.1 17,-1.9 -2,-0.4 2,-0.3 -0.978 14.1-176.9-123.8 133.8 25.8 80.2 32.7 8 9 A T E + B 0 23A 0 59,-2.1 61,-0.4 -2,-0.4 2,-0.3 -0.976 15.9 157.8-136.8 154.3 23.6 77.5 31.1 9 10 A D E - B 0 22A 9 13,-1.9 13,-2.4 -2,-0.3 2,-0.3 -0.932 9.9-176.5-161.4 150.6 19.9 76.6 30.7 10 11 A G E + B 0 21A 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.985 10.1 173.1-148.3 151.1 17.9 74.5 28.2 11 12 A S E - B 0 20A 20 9,-3.4 9,-3.1 -2,-0.3 2,-0.4 -0.990 25.5-135.5-162.1 164.4 14.2 73.8 27.9 12 13 A C E - B 0 19A 13 -2,-0.3 7,-0.3 7,-0.3 3,-0.1 -0.995 9.6-150.9-120.3 121.4 11.4 72.2 25.9 13 14 A L S S+ 0 0 101 5,-1.7 2,-0.4 -2,-0.4 -1,-0.2 0.981 98.0 7.2 -54.8 -62.5 8.0 73.9 25.2 14 15 A G S S- 0 0 36 4,-0.5 -1,-0.2 -3,-0.1 -3,-0.0 -0.919 99.9-107.1-116.7 148.5 6.4 70.4 25.1 15 16 A N S S+ 0 0 92 -2,-0.4 27,-0.1 1,-0.3 2,-0.1 -0.981 112.3 24.2-131.9 116.8 8.6 67.4 25.9 16 17 A P S S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 26,-0.2 0.476 119.7 84.9 -67.5 144.8 9.4 65.7 23.7 17 18 A G E S- C 0 41A 7 24,-2.0 24,-3.3 -2,-0.1 21,-0.1 -0.934 86.1 -25.8-178.5-163.6 9.0 68.7 21.5 18 19 A P E + 0 0 47 0, 0.0 -5,-1.7 0, 0.0 -4,-0.5 -0.336 67.5 162.8 -65.1 140.4 10.7 71.8 20.3 19 20 A G E -BC 12 38A 0 19,-1.6 19,-2.2 -7,-0.3 2,-0.3 -0.894 17.0-170.8-148.1-177.8 13.4 73.0 22.7 20 21 A G E -BC 11 37A 0 -9,-3.1 -9,-3.4 -2,-0.3 2,-0.3 -0.966 13.3-133.1-167.5 174.9 16.4 75.3 22.9 21 22 A Y E -BC 10 36A 19 15,-1.4 15,-1.0 -2,-0.3 2,-0.3 -0.872 5.5-156.1-135.2 163.9 19.3 76.3 25.1 22 23 A G E +BC 9 35A 0 -13,-2.4 -13,-1.9 -2,-0.3 2,-0.3 -0.965 14.6 177.5-142.0 135.9 20.9 79.6 26.2 23 24 A A E -BC 8 34A 0 11,-1.8 11,-2.9 -2,-0.3 2,-0.5 -0.981 12.9-160.0-144.6 134.7 24.5 79.8 27.4 24 25 A I E -BC 7 33A 0 -17,-1.9 -17,-2.1 -2,-0.3 2,-0.5 -0.984 7.1-166.3-119.1 125.5 26.4 83.0 28.4 25 26 A L E -BC 6 32A 5 7,-3.4 7,-2.1 -2,-0.5 2,-0.7 -0.979 2.9-164.5-113.9 122.0 30.2 82.9 28.4 26 27 A R E +BC 5 31A 60 -21,-2.7 -21,-1.8 -2,-0.5 2,-0.4 -0.945 22.4 158.3-111.7 104.2 32.1 85.7 30.2 27 28 A Y E -B 4 0A 79 3,-1.9 -23,-0.1 -2,-0.7 -2,-0.1 -0.955 69.8 -9.0-131.2 105.3 35.7 85.7 29.0 28 29 A R S S- 0 0 131 -25,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.902 122.7 -58.7 75.6 49.6 37.8 88.9 29.4 29 30 A G S S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.887 116.3 110.0 46.5 42.8 35.0 91.4 30.4 30 31 A R - 0 0 122 2,-0.0 -3,-1.9 -5,-0.0 2,-0.3 -0.951 61.5-146.0-144.0 119.0 33.2 90.5 27.1 31 32 A E E -C 26 0A 72 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.707 11.5-164.3 -91.8 144.0 30.0 88.5 27.4 32 33 A K E -C 25 0A 79 -7,-2.1 -7,-3.4 -2,-0.3 2,-0.4 -0.984 5.2-154.1-129.3 134.6 29.3 86.0 24.6 33 34 A T E -C 24 0A 66 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.952 7.7-169.9-118.3 137.0 25.8 84.5 24.1 34 35 A F E +C 23 0A 57 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.3 -0.986 15.2 159.7-123.6 132.5 24.9 81.2 22.4 35 36 A S E +C 22 0A 55 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.978 4.9 161.5-152.4 144.8 21.4 80.1 21.5 36 37 A A E -C 21 0A 15 -15,-1.0 -15,-1.4 -2,-0.3 2,-0.4 -0.963 23.7-140.3-160.5 150.4 19.6 77.6 19.2 37 38 A G E -C 20 0A 3 105,-0.3 107,-2.4 -2,-0.3 108,-2.2 -0.907 13.6-157.0-117.8 141.9 16.3 75.9 18.8 38 39 A Y E -Cd 19 145A 17 -19,-2.2 -19,-1.6 -2,-0.4 3,-0.2 -0.902 20.0-130.2-118.8 140.6 15.8 72.2 17.8 39 40 A T E S+ 0 0 65 106,-2.8 2,-0.3 -2,-0.3 107,-0.1 0.884 90.6 6.2 -62.5 -38.0 12.6 70.8 16.2 40 41 A R E S+ 0 0 135 105,-0.2 107,-0.4 -22,-0.1 -1,-0.2 -0.860 84.6 115.0-154.7 114.0 12.1 67.8 18.5 41 42 A T E -C 17 0A 0 -24,-3.3 -24,-2.0 -2,-0.3 2,-0.3 -0.736 49.6 -94.1-154.2-161.5 14.1 67.0 21.6 42 43 A T > - 0 0 21 -2,-0.2 4,-1.6 -26,-0.2 5,-0.1 -0.852 25.7-114.1-130.2 168.6 13.9 66.7 25.4 43 44 A N H > S+ 0 0 41 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.867 116.4 49.6 -62.7 -51.2 14.4 68.7 28.5 44 45 A N H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.835 109.9 52.2 -58.0 -44.8 17.3 66.6 29.7 45 46 A R H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.866 110.9 46.7 -65.3 -34.0 19.0 66.8 26.3 46 47 A X H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.859 109.6 52.4 -76.5 -38.9 18.8 70.7 26.2 47 48 A E H X S+ 0 0 29 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.879 116.5 41.7 -62.4 -39.4 20.0 71.1 29.7 48 49 A L H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-0.5 0.934 111.7 55.1 -72.8 -48.3 23.0 68.9 28.7 49 50 A X H 3X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.817 101.7 58.0 -53.0 -42.6 23.4 70.6 25.3 50 51 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.874 110.0 43.1 -55.2 -46.1 23.7 74.1 26.8 51 52 A A H < S+ 0 0 0 -4,-1.8 3,-0.7 2,-0.2 4,-0.3 0.910 113.4 43.4 -65.8 -49.2 29.6 76.5 26.0 55 56 A L H >< S+ 0 0 1 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.914 110.2 57.5 -61.5 -41.9 32.6 74.3 26.9 56 57 A E H 3< S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 97.7 62.9 -62.5 -21.6 33.2 73.5 23.2 57 58 A A T << S+ 0 0 41 -4,-0.8 2,-0.7 -3,-0.7 -1,-0.3 0.490 78.1 96.4 -81.0 -11.5 33.4 77.2 22.4 58 59 A L < - 0 0 21 -3,-1.8 2,-0.1 -4,-0.3 4,-0.1 -0.817 57.4-166.9 -83.6 114.7 36.6 77.7 24.5 59 60 A K + 0 0 210 -2,-0.7 2,-0.2 2,-0.1 -1,-0.1 -0.295 69.7 43.8 -95.5 37.6 39.5 77.4 22.0 60 61 A E S S- 0 0 98 -2,-0.1 2,-0.3 52,-0.0 52,-0.0 -0.840 96.7 -85.3-178.5 149.5 41.9 77.0 25.0 61 62 A H + 0 0 143 -2,-0.2 2,-0.3 52,-0.1 52,-0.2 -0.472 58.2 176.0 -61.1 114.7 42.4 75.3 28.4 62 63 A C - 0 0 5 -2,-0.3 52,-3.2 50,-0.3 2,-0.6 -0.795 43.2-117.6-128.8 167.3 40.7 77.4 31.1 63 64 A E E -ae 3 114A 68 -61,-0.7 -59,-1.6 -2,-0.3 2,-0.4 -0.931 50.6-168.8 -96.0 111.7 39.8 77.7 34.8 64 65 A V E -ae 4 115A 3 50,-3.2 52,-2.3 -2,-0.6 2,-0.5 -0.925 29.1-160.0-117.3 145.1 35.9 77.7 34.5 65 66 A I E -ae 5 116A 31 -61,-2.3 -59,-2.8 -2,-0.4 2,-0.5 -0.999 21.6-168.0-115.6 110.0 33.1 78.4 36.9 66 67 A L E -ae 6 117A 0 50,-2.9 52,-3.5 -2,-0.5 2,-0.5 -0.973 2.2-166.3-113.0 126.9 29.9 76.7 35.4 67 68 A S E +ae 7 118A 2 -61,-2.3 -59,-2.1 -2,-0.5 2,-0.3 -0.945 21.2 144.7-115.1 122.2 26.5 77.6 36.8 68 69 A T E - e 0 119A 1 50,-2.2 52,-1.9 -2,-0.5 -59,-0.1 -0.992 43.0-146.4-153.7 152.9 23.4 75.6 36.1 69 70 A D + 0 0 53 -61,-0.4 2,-0.6 -2,-0.3 53,-0.1 0.149 57.1 130.3-106.2 13.7 20.3 74.5 37.9 70 71 A S > - 0 0 3 1,-0.2 4,-2.2 -62,-0.1 5,-0.1 -0.631 41.1-167.0 -78.0 117.9 20.0 71.2 36.0 71 72 A Q H > S+ 0 0 152 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.814 89.5 56.8 -68.9 -33.5 19.5 68.2 38.4 72 73 A Y H > S+ 0 0 44 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.880 109.9 42.1 -65.9 -47.5 20.3 65.9 35.5 73 74 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.945 116.3 50.6 -67.1 -46.6 23.7 67.4 34.7 74 75 A R H X S+ 0 0 104 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.841 112.4 45.0 -55.0 -47.8 24.4 67.6 38.5 75 76 A Q H X>S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 5,-1.5 0.908 114.6 48.5 -68.6 -42.7 23.5 64.0 39.1 76 77 A G H <>S+ 0 0 0 -4,-2.2 5,-3.2 3,-0.2 6,-0.3 0.930 115.7 44.5 -61.1 -49.0 25.4 62.7 36.1 77 78 A I H <5S+ 0 0 27 -4,-2.8 5,-0.3 1,-0.2 -2,-0.2 0.930 123.8 31.5 -59.3 -55.3 28.5 64.8 37.0 78 79 A T H <5S+ 0 0 60 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.710 136.3 13.0 -82.1 -25.5 28.7 64.0 40.7 79 80 A Q T <5S+ 0 0 96 -4,-2.5 4,-0.3 -5,-0.2 -3,-0.2 0.795 123.6 32.0-123.4 -44.4 27.3 60.5 40.8 80 81 A W T > S+ 0 0 91 -5,-0.3 4,-1.2 -6,-0.3 -1,-0.2 0.887 115.3 39.7 -51.5 -42.8 32.5 57.7 36.9 83 84 A N H > S+ 0 0 50 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.858 108.9 58.2 -76.9 -39.5 30.6 54.4 36.9 84 85 A W H <>S+ 0 0 35 -4,-2.8 5,-3.6 1,-0.2 6,-0.4 0.882 107.3 50.3 -56.5 -41.8 29.1 54.6 33.5 85 86 A K H ><5S+ 0 0 94 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.919 107.5 51.8 -63.6 -41.2 32.7 54.9 32.1 86 87 A K H 3<5S+ 0 0 161 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 111.5 50.5 -62.4 -33.7 33.9 51.8 34.1 87 88 A R T 3<5S- 0 0 152 -4,-2.0 3,-0.5 3,-0.1 -1,-0.3 0.192 120.9-105.4 -91.2 12.6 30.9 49.9 32.6 88 89 A G T < 5 - 0 0 51 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.752 69.2 -67.5 68.5 26.1 31.6 50.9 29.0 89 90 A W S - 0 0 62 4,-2.6 3,-2.3 -2,-0.3 6,-0.1 -0.259 48.0 -80.6 -90.1-173.3 23.5 49.9 32.1 92 93 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.743 132.2 56.6 -62.4 -22.9 23.1 46.5 33.7 93 94 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.279 117.4-115.4 -91.3 6.8 21.0 45.3 30.8 94 95 A K S < S+ 0 0 152 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.658 71.1 133.9 69.3 19.9 23.8 46.2 28.5 95 96 A K - 0 0 123 1,-0.1 -4,-2.6 3,-0.0 -1,-0.2 -0.777 67.7 -90.5 -94.8 151.7 22.0 48.9 26.6 96 97 A P B -F 90 0B 83 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.170 52.2 -96.6 -56.8 139.1 23.9 52.2 25.9 97 98 A V > - 0 0 6 -8,-2.3 3,-1.5 1,-0.1 4,-0.2 -0.318 52.1 -89.9 -59.4 146.1 23.2 54.8 28.7 98 99 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.475 112.3 7.8 -60.0 129.2 20.5 57.2 27.8 99 100 A N T >> S+ 0 0 8 -2,-0.2 4,-2.9 50,-0.2 3,-0.7 0.781 80.3 155.4 62.1 37.5 21.8 60.3 25.9 100 101 A V H <> + 0 0 33 -3,-1.5 4,-3.0 1,-0.3 5,-0.3 0.844 66.9 63.1 -58.4 -37.1 25.2 58.6 25.7 101 102 A D H 3> S+ 0 0 49 2,-0.2 4,-1.0 -4,-0.2 -1,-0.3 0.885 111.1 36.4 -51.6 -47.0 25.9 60.8 22.7 102 103 A L H <> S+ 0 0 2 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.858 113.9 56.0 -76.6 -46.0 25.7 63.9 24.8 103 104 A W H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 107.6 48.7 -58.1 -41.4 27.2 62.5 27.9 104 105 A Q H X S+ 0 0 87 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.892 110.0 52.9 -65.4 -38.5 30.4 61.5 26.0 105 106 A R H X S+ 0 0 97 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.890 111.4 45.2 -61.0 -43.9 30.6 65.0 24.5 106 107 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.6 52.3 -68.3 -45.2 30.4 66.6 27.9 107 108 A D H X S+ 0 0 44 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.922 109.0 50.7 -57.7 -48.3 33.0 64.1 29.4 108 109 A A H >< S+ 0 0 59 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.893 113.7 43.9 -53.5 -49.9 35.5 64.9 26.6 109 110 A A H >< S+ 0 0 12 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.711 106.9 58.9 -72.2 -25.6 35.2 68.7 27.1 110 111 A L H >< S+ 0 0 41 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.662 98.4 63.7 -78.4 -16.6 35.3 68.5 30.9 111 112 A G T << S+ 0 0 59 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.705 97.8 55.7 -79.4 -22.6 38.7 66.8 30.3 112 113 A Q T < S+ 0 0 98 -3,-0.6 2,-0.3 -4,-0.3 -50,-0.3 0.295 107.5 39.3 -94.4 3.5 40.1 70.0 28.7 113 114 A H S < S- 0 0 25 -3,-0.5 2,-0.8 -52,-0.2 -50,-0.2 -0.921 79.8-109.4-146.0 166.0 39.5 72.6 31.5 114 115 A Q E -e 63 0A 142 -52,-3.2 -50,-3.2 -2,-0.3 2,-0.4 -0.932 47.5-159.5-104.0 111.4 39.6 72.9 35.3 115 116 A I E -e 64 0A 41 -2,-0.8 2,-0.5 -5,-0.2 -50,-0.2 -0.822 23.0-171.1-105.9 136.5 35.9 73.2 36.2 116 117 A K E -e 65 0A 127 -52,-2.3 -50,-2.9 -2,-0.4 2,-0.4 -0.988 22.7-146.1-118.7 118.5 34.3 74.5 39.3 117 118 A W E -e 66 0A 54 -2,-0.5 2,-0.6 -52,-0.2 -50,-0.2 -0.835 11.6-165.5 -96.9 132.3 30.5 73.7 39.3 118 119 A E E -e 67 0A 83 -52,-3.5 -50,-2.2 -2,-0.4 2,-0.7 -0.966 10.3-157.0-115.5 109.6 28.0 76.1 40.8 119 120 A W E -e 68 0A 46 -2,-0.6 2,-0.3 -52,-0.2 -50,-0.2 -0.866 14.9-157.3 -91.0 112.4 24.7 74.2 41.2 120 121 A V - 0 0 8 -52,-1.9 2,-0.5 -2,-0.7 3,-0.1 -0.691 10.6-159.2 -91.8 138.4 21.9 76.9 41.3 121 122 A K - 0 0 167 -2,-0.3 -51,-0.0 1,-0.2 -52,-0.0 -0.934 62.8 -6.9-126.6 108.2 18.4 76.5 42.8 122 123 A G S S- 0 0 43 -2,-0.5 -1,-0.2 -53,-0.1 7,-0.1 0.162 72.4-101.4 91.6 154.0 15.8 78.9 41.6 123 124 A H S > S+ 0 0 51 2,-0.1 3,-2.0 6,-0.1 7,-0.3 0.744 86.1 106.5 -81.8 -25.1 16.0 81.9 39.3 124 125 A A T 3 S+ 0 0 90 1,-0.3 -3,-0.1 6,-0.1 0, 0.0 -0.458 91.2 9.5 -66.5 123.7 15.8 84.5 42.0 125 126 A G T 3 S+ 0 0 74 -2,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.400 111.4 92.2 87.0 4.0 19.2 86.1 42.7 126 127 A H <> + 0 0 40 -3,-2.0 4,-1.9 1,-0.1 3,-0.2 -0.661 44.0 167.3-128.6 74.3 20.6 84.5 39.5 127 128 A P H > S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.788 76.0 52.9 -59.4 -36.7 20.0 87.0 36.7 128 129 A E H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.919 109.7 49.3 -68.7 -37.9 22.3 85.2 34.2 129 130 A N H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.863 110.2 50.7 -64.9 -42.4 20.5 81.9 34.7 130 131 A E H X S+ 0 0 85 -4,-1.9 4,-2.0 -7,-0.3 -1,-0.2 0.931 109.6 51.0 -61.3 -44.9 17.1 83.5 34.2 131 132 A R H X S+ 0 0 87 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.853 104.8 55.7 -58.9 -40.2 18.3 85.1 31.0 132 133 A C H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.921 106.9 52.5 -62.5 -38.7 19.5 81.8 29.7 133 134 A D H X S+ 0 0 19 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.904 108.8 48.5 -62.3 -43.4 15.9 80.5 30.3 134 135 A E H X S+ 0 0 115 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.937 114.4 45.5 -62.7 -45.2 14.5 83.4 28.3 135 136 A L H X S+ 0 0 46 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.886 111.4 54.6 -60.3 -44.6 17.0 82.7 25.5 136 137 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 3,-0.3 0.964 111.8 41.9 -53.7 -57.3 16.2 79.0 25.8 137 138 A R H X S+ 0 0 113 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.837 111.7 54.6 -61.1 -37.5 12.4 79.4 25.3 138 139 A A H >< S+ 0 0 59 -4,-1.9 3,-0.6 -5,-0.2 4,-0.4 0.850 109.3 48.2 -67.4 -38.4 12.8 82.1 22.5 139 140 A A H >< S+ 0 0 16 -4,-1.9 3,-1.1 -3,-0.3 -102,-0.3 0.866 105.3 59.8 -67.6 -41.7 15.0 79.7 20.4 140 141 A A H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.573 98.6 58.4 -60.5 -22.9 12.5 76.8 21.0 141 142 A X T << S+ 0 0 141 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.589 114.6 35.7 -84.7 -22.0 9.7 78.9 19.3 142 143 A N S < S- 0 0 126 -3,-1.1 -105,-0.3 -4,-0.4 -1,-0.2 -0.476 85.3-174.1-132.0 59.8 11.8 79.2 16.1 143 144 A P + 0 0 40 0, 0.0 -105,-0.3 0, 0.0 -3,-0.1 -0.316 15.6 162.2 -59.1 134.8 13.5 75.7 16.0 144 145 A T + 0 0 106 -107,-2.4 2,-0.3 -5,-0.0 -106,-0.2 0.499 49.0 67.4-130.7 -19.2 16.0 75.4 13.1 145 146 A L B S-d 38 0A 62 -108,-2.2 -106,-2.8 2,-0.0 2,-0.4 -0.754 71.5-125.6-107.1 160.9 18.2 72.5 14.0 146 147 A E - 0 0 125 -2,-0.3 2,-1.2 -108,-0.2 3,-0.1 -0.833 12.2-140.2-101.3 139.0 17.6 68.7 14.1 147 148 A D > + 0 0 14 -107,-0.4 3,-1.7 -2,-0.4 -109,-0.0 -0.765 30.8 174.5-100.6 80.0 18.5 66.8 17.4 148 149 A T T 3 + 0 0 129 -2,-1.2 -1,-0.2 1,-0.3 -107,-0.0 0.575 69.5 59.6 -69.9 -9.0 19.8 63.9 15.4 149 150 A G T 3 S+ 0 0 28 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.465 83.3 106.5 -93.7 -4.0 21.2 62.0 18.5 150 151 A Y < 0 0 56 -3,-1.7 -3,-0.0 -110,-0.1 -110,-0.0 -0.669 360.0 360.0 -79.2 130.8 17.7 62.0 19.9 151 152 A Q 0 0 129 -2,-0.4 -1,-0.1 0, 0.0 -3,-0.1 -0.247 360.0 360.0 -74.4 360.0 15.9 58.6 19.8