==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-11 3VN5 . COMPND 2 MOLECULE: RIBONUCLEASE HIII; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR N.JONGRUJA,D.J.YOU,K.EIKO,C.ANGKAWIDJAJA,Y.KOGA,K.TAKANO,S.K . 255 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 70 0, 0.0 50,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.1 -9.8 -3.6 -56.3 2 3 A S E -A 50 0A 74 48,-0.2 2,-0.3 46,-0.0 48,-0.2 -0.962 360.0-169.6-119.7 146.6 -6.5 -4.3 -54.4 3 4 A L E -A 49 0A 9 46,-2.3 46,-2.7 -2,-0.4 2,-0.4 -0.844 21.0-131.8-115.0 168.5 -5.3 -7.0 -52.1 4 5 A K E +A 48 0A 62 -2,-0.3 169,-0.6 44,-0.2 2,-0.3 -0.974 36.8 172.2-115.6 128.5 -2.2 -7.3 -50.0 5 6 A I - 0 0 8 42,-2.6 62,-0.0 -2,-0.4 -2,-0.0 -0.887 30.3-110.0-135.4 166.2 -0.4 -10.7 -50.4 6 7 A S > - 0 0 37 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.430 35.6-106.9 -91.4 169.0 2.8 -12.4 -49.4 7 8 A P H > S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.904 122.9 52.8 -67.1 -32.4 5.6 -13.2 -51.7 8 9 A S H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.941 110.9 47.0 -62.6 -42.2 4.7 -16.9 -51.4 9 10 A E H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 108.3 55.3 -65.2 -38.2 1.1 -16.0 -52.4 10 11 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.898 109.1 46.5 -66.3 -41.2 2.2 -13.9 -55.3 11 12 A E H X S+ 0 0 131 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.938 115.0 48.0 -61.7 -46.1 4.2 -16.8 -56.8 12 13 A K H X S+ 0 0 86 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 113.9 46.6 -59.1 -44.5 1.2 -19.1 -56.3 13 14 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.896 109.8 52.8 -70.2 -42.7 -1.2 -16.6 -57.8 14 15 A Q H X S+ 0 0 53 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.948 112.0 46.1 -55.9 -52.0 1.0 -15.8 -60.8 15 16 A N H X S+ 0 0 96 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.893 111.5 52.4 -52.0 -49.6 1.2 -19.6 -61.5 16 17 A Y H X S+ 0 0 78 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.901 112.1 44.6 -54.7 -48.9 -2.6 -20.0 -61.1 17 18 A L H <>S+ 0 0 1 -4,-2.4 5,-2.6 2,-0.2 -2,-0.2 0.916 113.6 48.5 -70.2 -40.4 -3.4 -17.2 -63.5 18 19 A V H ><5S+ 0 0 75 -4,-2.5 3,-2.6 -5,-0.2 -2,-0.2 0.957 109.6 54.1 -61.8 -38.8 -0.9 -18.3 -66.1 19 20 A S H 3<5S+ 0 0 104 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.1 54.4 -64.1 -26.8 -2.3 -21.8 -65.8 20 21 A S T 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.191 131.2 -97.3 -84.7 -0.3 -5.7 -20.2 -66.4 21 22 A G T < 5 + 0 0 52 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.564 69.6 154.2 96.0 13.8 -4.3 -18.8 -69.6 22 23 A F < - 0 0 14 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.436 32.3-141.8 -67.0 153.2 -3.4 -15.2 -68.5 23 24 A R E -B 35 0A 195 12,-2.8 12,-2.4 -2,-0.1 -1,-0.0 -0.881 18.8-100.1-120.3 147.9 -0.6 -13.6 -70.6 24 25 A K E -B 34 0A 161 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.265 37.6-170.6 -60.3 136.6 2.2 -11.3 -69.5 25 26 A I - 0 0 33 8,-2.1 2,-0.4 2,-0.1 8,-0.3 -0.924 26.5-109.8-123.8 157.4 1.8 -7.6 -70.1 26 27 A N + 0 0 161 -2,-0.3 6,-0.0 6,-0.1 8,-0.0 -0.746 41.6 163.2 -89.3 126.4 4.3 -4.8 -69.7 27 28 A A > - 0 0 21 -2,-0.4 3,-1.1 3,-0.1 -2,-0.1 -0.835 32.6-132.9-145.3 107.5 3.8 -2.5 -66.8 28 29 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.312 90.5 24.9 -55.3 147.7 6.6 -0.3 -65.5 29 30 A Y T 3 S+ 0 0 219 1,-0.2 2,-0.3 2,-0.1 16,-0.3 0.690 99.8 109.4 68.6 20.8 7.1 -0.3 -61.8 30 31 A T < - 0 0 32 -3,-1.1 14,-0.2 14,-0.1 -1,-0.2 -0.925 66.7-140.9-116.3 159.9 5.5 -3.7 -61.2 31 32 A L S S- 0 0 97 12,-2.8 2,-0.3 1,-0.4 13,-0.2 0.865 89.4 -17.7 -80.2 -39.4 7.1 -7.0 -60.3 32 33 A W E - C 0 43A 30 11,-1.2 11,-3.0 -3,-0.1 -1,-0.4 -0.972 61.6-164.3-156.2 159.3 4.8 -8.8 -62.8 33 34 A A E - C 0 42A 4 -8,-0.3 -8,-2.1 -2,-0.3 2,-0.3 -0.982 7.5-175.4-143.8 147.3 1.6 -8.1 -64.6 34 35 A L E -BC 24 41A 3 7,-2.5 7,-3.0 -2,-0.3 2,-0.4 -0.911 10.6-153.8-137.3 160.0 -0.9 -10.3 -66.4 35 36 A E E +BC 23 40A 85 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.2 -0.995 34.8 116.1-136.9 140.3 -4.0 -10.0 -68.5 36 37 A G E > + C 0 39A 15 3,-2.4 3,-2.1 -2,-0.4 -14,-0.1 -0.878 55.8 26.6 172.9 154.9 -6.8 -12.5 -68.9 37 38 A N T 3 S- 0 0 105 1,-0.3 22,-0.1 -2,-0.2 3,-0.1 0.809 127.9 -45.6 48.7 46.6 -10.5 -13.3 -68.4 38 39 A G T 3 S+ 0 0 32 1,-0.2 17,-2.2 16,-0.1 2,-0.3 0.574 121.6 79.5 78.1 11.9 -11.7 -9.7 -68.3 39 40 A V E < -C 36 0A 5 -3,-2.1 -3,-2.4 14,-0.2 2,-0.4 -0.956 62.1-140.2-137.7 164.8 -9.1 -8.3 -66.0 40 41 A K E -CD 35 52A 77 12,-2.8 12,-2.4 -2,-0.3 2,-0.4 -0.963 22.4-157.7-118.0 146.1 -5.5 -7.0 -65.7 41 42 A V E -CD 34 51A 0 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.4 -0.987 7.0-170.8-129.8 125.8 -3.5 -7.9 -62.6 42 43 A Y E -CD 33 50A 39 8,-2.4 8,-2.6 -2,-0.4 2,-0.4 -0.984 6.7-159.0-125.1 128.2 -0.5 -6.0 -61.3 43 44 A Y E -CD 32 49A 19 -11,-3.0 -12,-2.8 -2,-0.4 -11,-1.2 -0.903 14.2-164.9-112.4 128.5 1.9 -7.1 -58.6 44 45 A Y > - 0 0 65 4,-2.3 3,-2.6 -2,-0.4 -14,-0.1 -0.841 34.4-117.1-114.9 153.9 4.0 -4.5 -56.8 45 46 A K T 3 S+ 0 0 168 -2,-0.3 -15,-0.1 1,-0.3 -1,-0.1 0.669 112.6 70.2 -62.4 -16.3 7.0 -4.6 -54.5 46 47 A T T 3 S- 0 0 91 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.537 118.7-110.9 -69.1 -14.8 4.7 -3.1 -51.8 47 48 A G S < S+ 0 0 11 -3,-2.6 -42,-2.6 1,-0.3 2,-0.2 0.404 75.2 137.3 89.1 2.4 2.9 -6.5 -51.7 48 49 A S E -A 4 0A 26 -44,-0.2 -4,-2.3 -4,-0.1 2,-0.4 -0.535 39.8-160.0 -79.4 148.8 -0.1 -4.9 -53.3 49 50 A L E -AD 3 43A 0 -46,-2.7 -46,-2.3 -6,-0.2 2,-0.5 -0.971 7.5-160.9-128.3 116.1 -2.0 -6.8 -56.0 50 51 A L E -AD 2 42A 31 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.5 -0.820 6.3-172.4-102.3 129.9 -4.3 -4.6 -58.2 51 52 A I E + D 0 41A 0 -50,-3.1 2,-0.3 -2,-0.5 -10,-0.2 -0.990 14.1 167.2-124.1 120.8 -7.0 -6.3 -60.2 52 53 A Q E + D 0 40A 104 -12,-2.4 -12,-2.8 -2,-0.5 2,-0.3 -0.991 22.1 70.6-130.7 152.6 -9.0 -4.1 -62.7 53 54 A G S > S- 0 0 41 -2,-0.3 3,-1.7 -14,-0.2 4,-0.3 -0.799 89.3 -56.9 131.4-179.4 -11.4 -4.6 -65.5 54 55 A K T 3 S+ 0 0 200 1,-0.3 3,-0.3 -2,-0.3 -15,-0.2 0.797 132.6 43.5 -67.9 -22.7 -14.9 -5.7 -66.2 55 56 A N T 3> S+ 0 0 41 -17,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.114 78.3 115.0-106.7 24.5 -14.5 -9.1 -64.5 56 57 A S H <> + 0 0 23 -3,-1.7 4,-2.5 -18,-0.3 5,-0.2 0.853 67.8 60.1 -70.8 -29.0 -12.6 -7.8 -61.4 57 58 A E H > S+ 0 0 164 -3,-0.3 4,-1.7 -4,-0.3 -1,-0.2 0.946 112.5 36.4 -60.6 -52.4 -15.3 -8.6 -58.8 58 59 A K H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 116.7 52.1 -73.9 -32.6 -15.3 -12.3 -59.5 59 60 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.923 107.5 54.2 -72.5 -35.1 -11.5 -12.6 -60.2 60 61 A L H X S+ 0 0 35 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.938 109.4 45.7 -56.2 -55.8 -10.8 -10.9 -56.9 61 62 A K H X S+ 0 0 150 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.906 112.9 52.7 -56.2 -38.9 -13.0 -13.4 -54.9 62 63 A E H < S+ 0 0 62 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.920 112.7 43.1 -65.2 -42.3 -11.2 -16.2 -56.8 63 64 A V H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 4,-0.4 0.889 107.4 59.1 -73.4 -39.0 -7.8 -14.9 -55.9 64 65 A L H >< S+ 0 0 43 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.848 100.1 60.2 -55.0 -33.7 -8.7 -14.2 -52.3 65 66 A N T 3< S+ 0 0 116 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.641 96.3 61.6 -74.4 -7.7 -9.5 -17.9 -52.1 66 67 A L T < S+ 0 0 20 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.545 75.1 119.4 -91.7 -6.1 -5.9 -18.7 -53.0 67 68 A L S < S- 0 0 6 -3,-1.2 2,-1.2 -4,-0.4 3,-0.1 -0.238 76.3-110.3 -59.8 150.2 -4.4 -17.0 -49.9 68 69 A E > - 0 0 40 1,-0.2 3,-1.9 2,-0.1 4,-0.5 -0.675 33.7-171.5 -86.4 95.2 -2.4 -19.3 -47.6 69 70 A K G > S+ 0 0 57 -2,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.778 78.6 60.5 -67.5 -28.0 -4.7 -19.5 -44.6 70 71 A K G 3 S+ 0 0 99 1,-0.2 130,-1.4 129,-0.1 131,-0.4 0.706 109.4 42.9 -66.0 -26.3 -2.2 -21.4 -42.4 71 72 A K G < S+ 0 0 96 -3,-1.9 23,-0.3 128,-0.1 -1,-0.2 0.371 90.1 108.2-102.6 -4.5 0.3 -18.6 -42.7 72 73 A L S < S- 0 0 7 -3,-0.8 129,-0.5 -4,-0.5 103,-0.1 -0.314 84.4 -82.9 -68.7 163.2 -2.1 -15.6 -42.2 73 74 A P - 0 0 5 0, 0.0 103,-2.7 0, 0.0 2,-0.3 -0.264 51.5-153.3 -65.0 156.2 -2.0 -13.6 -39.0 74 75 A G E -Ef 92 176B 0 18,-1.8 18,-2.6 101,-0.2 2,-0.4 -0.979 9.7-155.7-143.3 140.5 -4.1 -15.2 -36.2 75 76 A a E +Ef 91 177B 0 101,-1.9 103,-2.0 -2,-0.3 2,-0.3 -0.946 17.2 160.8-119.6 146.0 -6.0 -13.9 -33.1 76 77 A D E -E 90 0B 12 14,-2.2 14,-2.6 -2,-0.4 2,-0.3 -0.947 21.1-138.9-152.8 171.1 -6.9 -15.6 -29.9 77 78 A E E -E 89 0B 36 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.879 6.7-162.9-126.7 162.7 -8.0 -14.6 -26.4 78 79 A S E +E 88 0B 10 10,-2.4 10,-2.9 -2,-0.3 -2,-0.0 -0.994 67.2 44.1-143.0 147.0 -7.4 -15.7 -22.8 79 80 A G S > S+ 0 0 2 -2,-0.3 3,-1.7 8,-0.2 10,-0.1 0.177 71.9 109.9 112.4 -13.2 -9.3 -15.0 -19.6 80 81 A K T 3 S+ 0 0 64 1,-0.3 7,-0.1 8,-0.2 71,-0.0 0.801 83.9 47.5 -59.4 -33.8 -12.8 -15.5 -20.9 81 82 A G T 3 S+ 0 0 44 2,-0.0 2,-0.4 1,-0.0 -1,-0.3 0.035 100.7 81.8 -94.9 20.1 -12.9 -18.7 -18.8 82 83 A D < - 0 0 11 -3,-1.7 150,-0.2 1,-0.1 169,-0.1 -0.991 57.9-159.2-135.2 123.5 -11.6 -17.1 -15.6 83 84 A I S S+ 0 0 0 148,-2.1 168,-2.2 -2,-0.4 2,-0.2 0.923 81.8 63.7 -69.9 -36.3 -13.5 -15.1 -13.0 84 85 A F B S+I 250 0C 1 147,-0.5 166,-0.2 145,-0.3 147,-0.2 -0.493 96.6 3.3 -83.8 146.8 -10.3 -13.5 -11.7 85 86 A G S S- 0 0 0 164,-2.4 128,-0.1 -2,-0.2 129,-0.1 -0.099 90.4 -22.9 87.4-168.1 -8.0 -11.2 -13.8 86 87 A S - 0 0 2 127,-0.3 2,-0.5 126,-0.2 51,-0.2 -0.131 41.3-129.3 -79.7 168.4 -8.0 -9.7 -17.2 87 88 A L E - G 0 136B 0 49,-2.5 49,-3.4 -7,-0.1 2,-0.5 -0.995 34.6-167.6-110.1 119.9 -9.5 -10.5 -20.5 88 89 A V E -EG 78 135B 0 -10,-2.9 -10,-2.4 -2,-0.5 2,-0.4 -0.963 12.9-173.9-116.6 129.3 -6.7 -10.4 -23.1 89 90 A L E +EG 77 134B 0 45,-2.5 45,-2.7 -2,-0.5 2,-0.3 -0.934 11.5 176.7-122.5 127.6 -7.1 -10.4 -26.9 90 91 A b E -EG 76 133B 0 -14,-2.6 -14,-2.2 -2,-0.4 2,-0.4 -1.000 17.7-165.3-127.2 149.1 -4.0 -10.8 -29.1 91 92 A a E -EG 75 132B 0 41,-2.9 41,-2.7 -2,-0.3 2,-0.4 -0.960 16.5-161.4-128.8 143.2 -3.3 -11.0 -32.9 92 93 A V E -EG 74 131B 0 -18,-2.6 -18,-1.8 -2,-0.4 2,-0.5 -0.971 11.3-159.2-129.7 136.8 0.1 -12.2 -34.1 93 94 A c E - G 0 130B 8 37,-2.8 37,-2.6 -2,-0.4 -21,-0.1 -0.988 12.7-153.4-112.9 131.6 1.8 -11.9 -37.5 94 95 A I - 0 0 20 -2,-0.5 35,-0.2 -23,-0.3 5,-0.1 -0.909 16.6-129.8-106.7 119.2 4.7 -14.3 -38.2 95 96 A P >> - 0 0 32 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.418 20.4-121.5 -63.2 139.5 7.3 -13.1 -40.6 96 97 A E G >4 S+ 0 0 144 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.850 110.9 60.7 -49.6 -42.9 8.0 -15.6 -43.4 97 98 A E G 34 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.717 112.9 37.6 -65.0 -15.7 11.7 -15.9 -42.4 98 99 A N G <> S+ 0 0 37 -3,-2.0 4,-2.8 30,-0.1 -1,-0.3 0.402 88.1 99.5-110.1 -0.6 10.7 -17.1 -38.9 99 100 A Y H S+ 0 0 133 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.884 114.5 51.9 -68.6 -38.4 9.4 -22.7 -39.8 101 102 A K H > S+ 0 0 131 2,-0.2 4,-0.7 -4,-0.2 -1,-0.2 0.925 111.6 46.7 -59.0 -46.9 11.3 -21.9 -36.6 102 103 A V H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.929 110.4 53.0 -60.6 -45.1 8.1 -20.9 -34.9 103 104 A S H >< S+ 0 0 52 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.920 104.9 55.4 -56.7 -43.5 6.4 -24.0 -36.2 104 105 A S H 3< S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.634 96.1 65.5 -65.4 -21.6 9.2 -26.2 -34.7 105 106 A L T << S- 0 0 62 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.605 99.9-140.3 -73.5 -11.6 8.6 -24.6 -31.3 106 107 A N X + 0 0 91 -3,-1.8 3,-2.1 -4,-0.4 -3,-0.1 0.922 27.6 179.9 55.6 55.8 5.1 -26.3 -31.3 107 108 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.778 75.3 68.0 -62.3 -24.4 3.2 -23.4 -29.7 108 109 A R T 3 S+ 0 0 101 -5,-0.2 2,-0.9 1,-0.1 -2,-0.1 0.797 85.9 78.0 -66.0 -20.1 -0.0 -25.5 -30.0 109 110 A D < + 0 0 90 -3,-2.1 -1,-0.1 1,-0.1 94,-0.0 -0.728 51.6 164.9 -94.4 108.2 1.4 -27.9 -27.3 110 111 A T > - 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0 0 115 -2,-0.9 4,-3.4 -51,-0.2 5,-0.2 -0.288 30.4 -99.9 -60.6 162.9 -8.1 -5.4 -16.8 138 139 A P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.885 121.7 54.5 -56.5 -39.4 -11.0 -6.1 -14.4 139 140 A E H > S+ 0 0 106 109,-0.4 4,-2.0 1,-0.2 5,-0.1 0.957 115.8 36.6 -59.8 -52.8 -11.6 -2.4 -13.7 140 141 A E H > S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 114.8 57.5 -64.1 -44.2 -11.9 -1.5 -17.4 141 142 A Y H X S+ 0 0 0 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.931 108.3 45.4 -51.7 -49.5 -13.7 -4.8 -18.2 142 143 A N H X S+ 0 0 14 -4,-2.9 4,-1.0 105,-0.3 -1,-0.2 0.919 113.2 50.3 -69.1 -37.5 -16.4 -4.1 -15.6 143 144 A K H >X S+ 0 0 129 -4,-2.0 3,-0.6 -5,-0.3 4,-0.6 0.946 114.3 44.6 -58.8 -46.9 -16.8 -0.5 -16.9 144 145 A L H >X S+ 0 0 32 -4,-3.0 4,-2.6 1,-0.2 3,-1.2 0.859 102.7 65.8 -71.2 -29.7 -17.1 -1.7 -20.5 145 146 A Y H 3X S+ 0 0 50 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.805 93.3 60.5 -61.5 -34.8 -19.5 -4.5 -19.6 146 147 A R H << S+ 0 0 167 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.797 111.9 40.6 -67.9 -21.9 -22.1 -1.9 -18.6 147 148 A K H << S+ 0 0 153 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.945 126.6 30.3 -80.7 -52.7 -21.9 -0.7 -22.2 148 149 A F H < S- 0 0 35 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 0.775 79.5-159.1 -83.0 -34.4 -21.7 -4.0 -24.1 149 150 A R S < S+ 0 0 169 -4,-3.0 2,-0.3 -5,-0.3 -3,-0.1 0.663 70.1 67.4 65.9 18.5 -23.7 -6.2 -21.6 150 151 A N S > S- 0 0 65 1,-0.1 4,-1.1 -5,-0.1 -2,-0.1 -0.950 73.4-140.5-169.8 136.7 -22.1 -9.2 -23.1 151 152 A L H > S+ 0 0 15 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.909 103.0 51.9 -76.0 -47.0 -18.5 -10.6 -23.1 152 153 A N H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 108.1 51.6 -56.5 -43.9 -18.5 -11.8 -26.7 153 154 A K H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 109.3 52.4 -61.1 -35.7 -19.7 -8.4 -28.0 154 155 A M H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.913 109.3 47.9 -63.0 -46.6 -16.9 -6.8 -26.1 155 156 A M H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.912 108.1 55.3 -62.8 -39.6 -14.3 -9.1 -27.7 156 157 A T H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.932 105.7 53.9 -58.0 -40.5 -15.8 -8.4 -31.1 157 158 A H H X S+ 0 0 77 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.917 114.8 38.1 -61.8 -46.6 -15.2 -4.7 -30.5 158 159 A F H X S+ 0 0 13 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.866 112.5 55.8 -79.5 -32.9 -11.6 -5.1 -29.6 159 160 A Y H X S+ 0 0 1 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.885 102.9 58.1 -62.6 -38.9 -10.8 -7.8 -32.2 160 161 A K H X S+ 0 0 115 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.917 108.7 45.4 -55.9 -41.6 -12.2 -5.4 -34.9 161 162 A L H X S+ 0 0 65 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.927 115.1 46.4 -67.2 -43.7 -9.6 -2.9 -33.8 162 163 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.928 111.6 51.5 -65.7 -43.7 -6.7 -5.4 -33.7 163 164 A I H X S+ 0 0 6 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.926 110.0 48.2 -64.2 -45.0 -7.6 -6.9 -37.1 164 165 A E H X S+ 0 0 141 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.906 113.6 47.8 -57.6 -46.9 -7.7 -3.6 -38.9 165 166 A R H X S+ 0 0 138 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.914 112.4 49.4 -65.4 -37.4 -4.3 -2.6 -37.4 166 167 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.4 0.932 107.1 53.8 -66.1 -41.2 -2.8 -6.0 -38.3 167 168 A K H X>S+ 0 0 64 -4,-2.7 5,-1.3 1,-0.2 4,-0.7 0.935 116.5 41.7 -63.5 -36.1 -4.1 -5.8 -41.9 168 169 A E H <5S+ 0 0 157 -4,-2.0 3,-0.3 -5,-0.2 -2,-0.2 0.977 122.0 34.6 -69.4 -61.2 -2.3 -2.5 -42.0 169 170 A E H <5S+ 0 0 85 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.845 125.1 40.8 -70.1 -36.2 0.9 -3.1 -40.2 170 171 A c H <5S- 0 0 31 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.548 105.0-125.5 -92.6 -2.5 1.4 -6.7 -41.4 171 172 A G T <5 + 0 0 24 -4,-0.7 2,-0.3 -5,-0.4 -3,-0.2 0.960 60.0 134.1 62.7 57.2 0.2 -6.0 -45.0 172 173 A V < - 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