==== 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 24-MAY-01 1J9A . COMPND 2 MOLECULE: OLIGORIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR N.BONANDER,M.TORDOVA,J.E.LADNER,E.EISENSTEIN,G.L.GILLILAND,S . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.2 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 0.5 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 . 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 . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 3 0 0 0 0 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 0 1 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 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 S 0 0 131 0, 0.0 2,-0.3 0, 0.0 97,-0.2 0.000 360.0 360.0 360.0 102.1 56.5 32.8 1.5 2 3 A H > - 0 0 73 95,-1.9 3,-3.2 1,-0.1 0, 0.0 -0.707 360.0-106.9 -89.0 155.3 59.1 31.3 3.7 3 4 A X T 3 S+ 0 0 199 1,-0.3 -1,-0.1 -2,-0.3 95,-0.1 0.611 119.1 53.8 -43.7 -31.3 61.1 28.4 2.3 4 5 A S T 3 S+ 0 0 47 2,-0.1 -1,-0.3 32,-0.0 2,-0.2 0.202 70.3 132.9 -98.3 6.6 59.3 26.0 4.5 5 6 A F < + 0 0 75 -3,-3.2 2,-0.3 92,-0.2 94,-0.2 -0.438 35.4 164.0 -53.7 127.2 55.8 27.0 3.5 6 7 A D > - 0 0 73 92,-1.4 3,-2.3 -2,-0.2 -2,-0.1 -0.978 51.6-125.9-158.5 140.7 54.3 23.6 2.9 7 8 A K T 3 S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.3 92,-0.1 0.661 110.9 53.1 -67.8 -9.0 50.8 22.1 2.5 8 9 A Q T 3 S+ 0 0 106 96,-0.1 -1,-0.3 2,-0.1 91,-0.1 0.415 79.6 119.8-101.9 -1.2 51.5 19.6 5.3 9 10 A N < - 0 0 7 -3,-2.3 2,-0.5 89,-0.2 27,-0.2 -0.183 60.5-127.3 -56.7 156.2 52.6 22.1 7.9 10 11 A L E -A 35 0A 18 25,-2.6 25,-2.0 94,-0.1 2,-0.7 -0.895 8.7-144.9-119.2 131.8 50.4 22.2 11.0 11 12 A I E -Ab 34 106A 1 94,-0.6 96,-1.7 -2,-0.5 2,-0.4 -0.768 13.9-165.9 -98.3 117.2 48.7 25.2 12.6 12 13 A W E +Ab 33 107A 1 21,-3.1 21,-1.8 -2,-0.7 2,-0.3 -0.830 11.5 176.7-102.5 141.1 48.5 25.2 16.4 13 14 A I E -A 32 0A 3 94,-1.8 2,-0.3 -2,-0.4 19,-0.2 -0.986 15.5-174.3-143.1 146.1 46.2 27.6 18.1 14 15 A D E -A 31 0A 25 17,-2.1 17,-0.7 -2,-0.3 2,-0.2 -0.885 10.3-165.7-147.1 107.1 45.2 28.3 21.7 15 16 A L E -A 30 0A 1 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.596 13.3-144.1 -82.8 155.4 42.5 30.8 22.6 16 17 A E E -A 29 0A 49 13,-2.6 12,-2.4 -2,-0.2 13,-1.4 -0.971 27.7-174.8-109.1 138.6 41.8 32.2 26.0 17 18 A X E -A 27 0A 27 -2,-0.4 10,-0.2 10,-0.3 3,-0.1 -0.832 33.1-129.1-133.8 161.7 38.0 32.8 26.5 18 19 A T S S- 0 0 0 8,-1.2 43,-0.6 -2,-0.3 2,-0.3 0.508 87.8 -16.6 -95.0 -7.2 35.8 34.3 29.2 19 20 A G S S- 0 0 14 7,-0.2 -1,-0.2 41,-0.1 41,-0.1 -0.914 73.7 -98.2-179.2-176.6 33.5 31.4 29.6 20 21 A L S S+ 0 0 132 -2,-0.3 3,-0.1 -3,-0.1 5,-0.1 0.667 96.5 77.5-102.6 -22.8 32.5 28.3 27.6 21 22 A D >> - 0 0 62 1,-0.2 3,-2.0 2,-0.0 4,-1.1 -0.820 63.0-161.8 -95.0 113.9 29.4 29.2 25.8 22 23 A P T 34 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.743 83.8 73.5 -59.5 -28.9 30.5 31.4 23.0 23 24 A E T 34 S+ 0 0 131 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.581 119.2 15.9 -70.9 -8.9 27.0 32.8 22.6 24 25 A K T <4 S+ 0 0 133 -3,-2.0 -1,-0.3 32,-0.0 2,-0.3 0.276 122.5 74.3-134.8 1.5 27.6 34.8 25.8 25 26 A E < - 0 0 24 -4,-1.1 2,-0.3 -5,-0.1 -5,-0.0 -0.762 59.8-159.2-115.4 163.1 31.4 34.5 26.0 26 27 A R - 0 0 79 -2,-0.3 -8,-1.2 30,-0.1 -7,-0.2 -0.946 26.6 -95.6-140.2 156.2 34.2 36.1 24.0 27 28 A I E +A 17 0A 0 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.458 33.1 171.6 -69.0 145.8 37.9 35.7 23.1 28 29 A I E + 0 0 0 -12,-2.4 22,-0.3 1,-0.4 2,-0.3 0.263 67.6 25.0-136.4 -5.4 40.4 37.6 25.3 29 30 A E E -A 16 0A 8 -13,-1.4 -13,-2.6 20,-0.2 -1,-0.4 -0.936 59.4-170.2-159.1 147.2 43.7 36.1 24.0 30 31 A I E +AC 15 48A 0 18,-1.8 18,-3.3 -2,-0.3 2,-0.3 -0.998 10.1 168.0-139.1 135.0 44.9 34.5 20.8 31 32 A A E -A 14 0A 0 -17,-0.7 -17,-2.1 -2,-0.4 2,-0.3 -0.978 6.5-175.3-144.5 150.8 48.1 32.7 20.0 32 33 A T E -A 13 0A 0 -2,-0.3 13,-2.9 14,-0.2 2,-0.3 -0.947 7.6-173.5-147.4 157.3 49.4 30.5 17.2 33 34 A I E -AD 12 44A 0 -21,-1.8 -21,-3.1 -2,-0.3 2,-0.5 -0.949 15.1-146.1-148.2 136.3 52.4 28.5 16.3 34 35 A V E +AD 11 43A 0 9,-3.2 8,-2.8 -2,-0.3 9,-1.5 -0.966 20.2 176.4-111.5 132.8 53.2 26.7 13.0 35 36 A T E -AD 10 41A 0 -25,-2.0 -25,-2.6 -2,-0.5 6,-0.2 -0.783 32.3-108.7-117.0 168.0 55.1 23.4 13.0 36 37 A D > - 0 0 39 4,-1.6 3,-2.1 -2,-0.3 -27,-0.1 -0.361 51.1 -87.0 -84.3 177.3 56.1 21.1 10.1 37 38 A K T 3 S+ 0 0 108 1,-0.3 -28,-0.1 2,-0.1 -1,-0.1 0.767 130.8 57.2 -60.3 -20.4 54.3 17.8 9.8 38 39 A N T 3 S- 0 0 82 2,-0.1 -1,-0.3 -28,-0.0 3,-0.1 0.186 121.0-104.7 -97.5 16.4 56.9 16.4 12.2 39 40 A L S < S+ 0 0 20 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.646 70.2 146.7 74.3 21.8 56.2 18.9 15.0 40 41 A N - 0 0 91 1,-0.0 -4,-1.6 0, 0.0 -1,-0.3 -0.765 54.1-118.0 -83.8 122.2 59.4 21.0 14.3 41 42 A I E +D 35 0A 52 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.479 37.8 172.4 -70.9 131.1 58.5 24.6 15.2 42 43 A L E - 0 0 49 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.847 64.1 -6.6 -91.4 -61.5 58.8 26.9 12.2 43 44 A A E -D 34 0A 15 -9,-1.5 -9,-3.2 55,-0.0 2,-0.4 -0.992 51.5-137.6-142.8 148.0 57.3 30.0 13.6 44 45 A E E -D 33 0A 95 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.884 34.4-150.5 -96.3 133.7 55.5 31.5 16.6 45 46 A G - 0 0 11 -13,-2.9 -13,-0.1 -2,-0.4 46,-0.1 -0.189 36.8 -44.0 -98.7-169.5 52.7 33.8 15.6 46 47 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -14,-0.2 -0.290 44.8-158.1 -57.9 126.1 51.0 36.9 17.1 47 48 A V + 0 0 46 -16,-0.2 2,-0.5 -3,-0.1 -16,-0.2 -0.915 27.8 178.8-101.9 106.2 50.3 36.5 20.8 48 49 A L B -C 30 0A 18 -18,-3.3 -18,-1.8 -2,-0.7 2,-0.7 -0.929 34.4-144.7-127.3 126.9 47.5 39.0 21.3 49 50 A A - 0 0 11 -2,-0.5 33,-0.5 -20,-0.2 2,-0.4 -0.796 23.7-151.9 -82.0 112.4 45.3 40.2 24.2 50 51 A V B -f 82 0B 0 -2,-0.7 2,-0.2 -22,-0.3 33,-0.2 -0.711 20.0-124.1 -81.8 124.5 41.9 41.0 22.7 51 52 A H + 0 0 81 31,-2.0 2,-0.3 -2,-0.4 27,-0.1 -0.532 32.5 177.5 -84.1 142.5 40.1 43.7 24.7 52 53 A Q - 0 0 16 -2,-0.2 28,-0.1 1,-0.1 5,-0.1 -0.985 35.2 -83.9-139.6 150.7 36.7 43.1 26.3 53 54 A S > - 0 0 54 -2,-0.3 4,-1.1 1,-0.1 -1,-0.1 0.137 33.2-119.9 -46.3 162.7 34.4 45.2 28.5 54 55 A D H > S+ 0 0 81 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.747 112.3 55.9 -78.0 -27.0 34.8 45.3 32.3 55 56 A E H > S+ 0 0 132 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.790 105.4 48.7 -75.7 -36.7 31.3 43.9 32.7 56 57 A L H 4 S+ 0 0 17 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.872 112.7 49.7 -71.5 -34.2 31.9 40.8 30.6 57 58 A L H < S+ 0 0 4 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.753 109.9 52.2 -65.6 -28.7 35.0 40.3 32.6 58 59 A N H < S+ 0 0 111 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.695 103.3 56.0 -82.8 -24.5 32.9 40.7 35.7 59 60 A K S < S+ 0 0 121 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.455 84.8 119.9 -81.6 -8.5 30.4 38.1 34.6 60 61 A X S S- 0 0 4 -4,-0.3 -41,-0.1 -3,-0.2 -3,-0.1 -0.346 78.3 -99.4 -61.9 133.4 33.4 35.7 34.3 61 62 A N > - 0 0 95 -43,-0.6 4,-2.3 1,-0.1 3,-0.4 -0.297 34.6-112.8 -52.2 145.4 33.1 32.6 36.5 62 63 A D H > S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.745 115.3 58.4 -56.0 -29.3 35.1 33.1 39.7 63 64 A W H > S+ 0 0 214 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 107.4 44.1 -71.1 -47.0 37.6 30.4 38.5 64 65 A C H > S+ 0 0 29 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.870 110.7 54.2 -66.9 -39.1 38.5 32.1 35.3 65 66 A Q H X S+ 0 0 55 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.890 107.2 53.1 -62.4 -32.9 38.9 35.5 36.9 66 67 A K H X S+ 0 0 136 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.972 115.0 38.7 -64.0 -48.7 41.3 34.0 39.4 67 68 A T H X S+ 0 0 50 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.887 113.6 52.3 -66.4 -46.7 43.5 32.5 36.7 68 69 A H H X>S+ 0 0 12 -4,-2.8 5,-1.8 1,-0.2 4,-1.4 0.798 112.9 47.6 -64.6 -29.5 43.5 35.3 34.2 69 70 A S H <5S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.921 111.0 46.9 -76.2 -45.4 44.4 37.8 36.9 70 71 A E H <5S+ 0 0 116 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.854 115.7 47.6 -70.5 -32.0 47.3 35.8 38.4 71 72 A N H <5S- 0 0 54 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 113.3-127.7 -67.8 -39.1 48.6 35.2 35.0 72 73 A G T X5 + 0 0 15 -4,-1.4 4,-1.0 -5,-0.3 -3,-0.2 0.488 67.4 133.0 104.5 9.7 48.0 38.9 34.3 73 74 A L H >>< + 0 0 9 -5,-1.8 4,-1.9 -6,-0.2 3,-1.0 0.891 68.8 55.8 -58.5 -40.4 46.0 38.5 31.2 74 75 A I H 3> S+ 0 0 23 -6,-1.0 4,-3.1 1,-0.3 5,-0.3 0.887 98.1 60.9 -64.2 -41.9 43.3 41.0 32.4 75 76 A E H 34 S+ 0 0 153 -7,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.810 112.9 40.7 -46.8 -37.0 45.9 43.7 32.8 76 77 A R H - 0 0 84 -2,-0.2 4,-2.3 -33,-0.2 5,-0.2 -0.392 36.1-102.4 -88.4 171.8 39.5 44.3 18.3 84 85 A E H > S+ 0 0 27 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.967 125.3 48.0 -63.3 -45.4 38.6 40.7 17.3 85 86 A R H > S+ 0 0 114 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.880 108.9 53.0 -58.2 -44.4 39.2 41.6 13.7 86 87 A A H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.961 113.0 44.9 -57.4 -47.4 42.4 43.3 14.4 87 88 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.956 116.7 45.8 -56.7 -51.2 43.6 40.1 16.3 88 89 A E H X S+ 0 0 3 -4,-3.2 4,-3.3 2,-0.2 3,-0.4 0.941 111.1 49.1 -62.4 -53.7 42.3 37.9 13.5 89 90 A L H X S+ 0 0 58 -4,-3.1 4,-2.7 1,-0.3 5,-0.2 0.926 110.9 53.4 -51.5 -43.4 43.7 39.8 10.5 90 91 A Q H X S+ 0 0 89 -4,-2.0 4,-1.3 -5,-0.4 -1,-0.3 0.902 112.4 43.1 -66.4 -30.5 47.0 39.9 12.3 91 92 A T H X S+ 0 0 0 -4,-1.7 4,-3.1 -3,-0.4 -2,-0.2 0.941 113.5 49.9 -79.6 -46.5 47.0 36.1 12.7 92 93 A L H X S+ 0 0 8 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.941 107.4 55.4 -45.7 -56.6 45.8 35.3 9.3 93 94 A D H < S+ 0 0 97 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.877 112.9 43.8 -44.5 -50.8 48.5 37.6 7.8 94 95 A F H >< S+ 0 0 22 -4,-1.3 3,-1.3 -5,-0.2 -1,-0.3 0.897 112.1 50.1 -58.8 -52.4 51.0 35.5 9.7 95 96 A L H >X S+ 0 0 0 -4,-3.1 3,-2.6 1,-0.3 4,-1.6 0.921 99.7 66.9 -62.1 -45.1 49.5 32.1 8.9 96 97 A K T 3< S+ 0 0 109 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.626 94.8 57.6 -44.1 -30.4 49.4 33.0 5.2 97 98 A K T <4 S+ 0 0 96 -3,-1.3 -95,-1.9 -4,-0.5 -1,-0.3 0.486 117.5 30.5 -83.6 0.6 53.2 33.1 5.0 98 99 A W T <4 S+ 0 0 24 -3,-2.6 -92,-1.4 1,-0.3 -2,-0.2 0.618 121.3 21.3-134.7 -29.8 53.6 29.5 6.3 99 100 A V S < S- 0 0 0 -4,-1.6 -1,-0.3 -94,-0.2 2,-0.2 -0.996 76.3-109.4-146.4 139.6 50.6 27.2 5.3 100 101 A P >> - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.476 45.5 -93.6 -71.0 144.7 48.0 27.4 2.6 101 102 A K T 34 S+ 0 0 130 1,-0.3 28,-0.2 -2,-0.2 27,-0.1 -0.234 110.1 17.3 -44.7 131.4 44.4 28.2 3.5 102 103 A G T 34 S+ 0 0 29 26,-2.8 -1,-0.3 2,-0.1 27,-0.2 0.445 101.5 97.4 81.5 -1.4 42.3 25.1 4.0 103 104 A A T <4 + 0 0 34 -3,-2.0 -2,-0.1 25,-0.5 26,-0.1 0.941 67.2 59.7 -91.7 -44.2 45.3 22.7 4.4 104 105 A S S < S- 0 0 0 -4,-0.6 26,-2.6 24,-0.4 -2,-0.1 -0.575 73.2-132.5 -87.6 143.5 46.0 22.2 8.1 105 106 A P - 0 0 25 0, 0.0 -94,-0.6 0, 0.0 2,-0.5 -0.359 44.6 -85.4 -74.1 170.4 43.5 20.7 10.5 106 107 A I E -be 11 133A 0 26,-2.2 28,-4.2 24,-0.3 2,-0.4 -0.727 53.7-159.7 -86.4 127.9 43.1 22.6 13.8 107 108 A C E +be 12 134A 0 -96,-1.7 -94,-1.8 -2,-0.5 2,-0.3 -0.917 36.6 61.0-120.8 135.8 45.7 21.4 16.3 108 109 A G E S- e 0 135A 3 26,-1.6 28,-2.5 -2,-0.4 2,-0.6 -0.959 85.2 -36.2 153.3-157.2 46.0 21.6 20.0 109 110 A N S S- 0 0 36 -2,-0.3 26,-0.1 1,-0.2 -2,-0.0 -0.846 117.9 -19.5-101.6 122.3 44.3 20.3 23.1 110 111 A S S >> S+ 0 0 67 -2,-0.6 3,-1.4 1,-0.1 4,-0.6 0.918 80.7 167.5 58.6 38.9 40.5 20.1 23.1 111 112 A I H 3> + 0 0 1 -3,-0.4 4,-2.1 1,-0.3 5,-0.2 0.635 57.2 81.8 -75.4 -3.0 40.6 22.6 20.2 112 113 A A H 3> S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.918 90.2 56.1 -59.2 -41.9 36.9 22.0 19.4 113 114 A Q H <> S+ 0 0 49 -3,-1.4 4,-0.9 1,-0.2 3,-0.3 0.918 107.5 46.8 -53.7 -47.9 36.3 24.5 22.2 114 115 A D H >X S+ 0 0 10 -4,-0.6 4,-1.8 1,-0.2 3,-0.8 0.945 108.5 54.8 -61.8 -45.3 38.4 27.1 20.5 115 116 A K H 3X S+ 0 0 27 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.706 96.2 65.3 -60.8 -32.0 36.9 26.7 17.1 116 117 A R H 3X S+ 0 0 121 -4,-1.6 4,-0.8 -3,-0.3 -1,-0.3 0.915 109.0 40.9 -54.0 -43.9 33.4 27.3 18.4 117 118 A F H S+ 0 0 0 -4,-0.9 4,-3.9 -3,-0.8 5,-0.6 0.919 112.6 52.6 -76.9 -44.2 34.5 30.8 19.2 118 119 A L H X5S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.2 8,-0.2 0.979 106.4 55.8 -49.1 -55.4 36.5 31.4 16.0 119 120 A V H <5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.785 119.3 32.0 -52.0 -29.9 33.5 30.3 14.0 120 121 A K H <5S+ 0 0 83 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.839 135.9 21.4 -98.0 -36.7 31.5 33.0 15.8 121 122 A Y H <5S+ 0 0 43 -4,-3.9 -3,-0.2 1,-0.1 -2,-0.2 0.564 136.3 25.2-109.3 -11.7 34.0 35.8 16.3 122 123 A X >X< + 0 0 0 -4,-3.7 4,-1.6 -5,-0.6 3,-0.7 -0.248 65.2 157.9-150.0 58.8 36.7 35.0 13.8 123 124 A P H 3> S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -4,-0.1 0.674 72.4 59.7 -65.0 -24.8 35.2 33.1 10.9 124 125 A D H 3> S+ 0 0 69 1,-0.2 4,-0.6 2,-0.2 -5,-0.1 0.940 110.4 43.8 -69.7 -39.3 37.8 34.0 8.3 125 126 A L H X4 S+ 0 0 0 -3,-0.7 3,-0.8 2,-0.2 4,-0.4 0.870 110.7 54.5 -60.5 -44.2 40.4 32.3 10.6 126 127 A A H 3< S+ 0 0 4 -4,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.762 108.6 50.7 -64.3 -30.0 38.0 29.4 11.2 127 128 A D H 3< S+ 0 0 92 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.641 92.6 73.2 -80.1 -21.6 37.9 29.0 7.5 128 129 A Y S << S+ 0 0 11 -3,-0.8 -26,-2.8 -4,-0.6 -25,-0.5 0.701 90.9 80.2 -68.6 -16.1 41.6 29.0 7.2 129 130 A F S S- 0 0 11 -3,-0.5 -23,-0.1 -4,-0.4 -28,-0.1 -0.675 87.4-116.2 -91.7 135.8 41.5 25.5 8.7 130 131 A H - 0 0 58 -26,-2.6 -24,-0.3 -2,-0.3 -1,-0.1 -0.217 41.4-108.5 -49.8 158.7 40.7 22.2 7.1 131 132 A Y S S+ 0 0 158 -29,-0.2 -1,-0.1 -26,-0.1 2,-0.1 0.838 91.3 93.9 -74.4 -22.1 37.5 20.9 8.7 132 133 A R - 0 0 146 1,-0.1 -26,-2.2 -27,-0.0 2,-0.3 -0.311 66.9-137.9 -74.5 149.4 39.4 18.2 10.6 133 134 A H E -e 106 0A 83 -28,-0.3 2,-0.5 -2,-0.1 -26,-0.2 -0.794 6.7-157.4-104.0 143.4 40.7 18.5 14.2 134 135 A L E -e 107 0A 50 -28,-4.2 -26,-1.6 -2,-0.3 2,-0.8 -0.738 24.6-177.9-119.8 85.9 44.0 17.2 15.4 135 136 A D E >> -e 108 0A 33 -2,-0.5 3,-1.8 -28,-0.2 4,-0.7 -0.721 20.4-163.5 -90.7 104.6 43.1 16.9 19.1 136 137 A V H >> S+ 0 0 0 -28,-2.5 4,-1.1 -2,-0.8 3,-1.1 0.842 89.9 63.9 -55.4 -31.3 46.0 15.8 21.2 137 138 A S H 3> S+ 0 0 20 -29,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.696 87.8 71.3 -71.1 -15.7 43.6 15.0 24.0 138 139 A T H <> S+ 0 0 79 -3,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.930 101.0 45.4 -57.7 -41.7 42.2 12.4 21.7 139 140 A L H X S+ 0 0 55 -4,-1.3 4,-2.7 2,-0.2 3,-0.6 0.902 113.4 48.5 -77.0 -41.5 43.1 6.4 24.2 143 144 A A H 3X S+ 0 0 0 -4,-3.0 4,-4.1 1,-0.3 -2,-0.2 0.958 105.5 58.9 -63.7 -50.0 46.3 6.0 26.2 144 145 A A H 3< S+ 0 0 45 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.712 118.4 32.1 -50.3 -22.2 44.3 6.3 29.4 145 146 A R H << S+ 0 0 168 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.729 132.5 27.7-106.2 -26.6 42.3 3.2 28.3 146 147 A W H < S+ 0 0 181 -4,-2.7 -3,-0.2 -3,-0.1 -2,-0.2 0.495 138.2 7.9-116.5 -7.1 44.9 1.3 26.3 147 148 A K >< + 0 0 68 -4,-4.1 3,-1.6 -5,-0.3 4,-0.2 0.005 62.2 161.5-169.8 60.7 48.2 2.2 27.9 148 149 A P G >> + 0 0 62 0, 0.0 3,-2.4 0, 0.0 4,-0.7 0.681 64.0 79.4 -64.3 -24.8 47.9 4.3 31.0 149 150 A E G >4 S+ 0 0 114 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.843 88.3 58.7 -53.4 -33.1 51.4 3.7 32.3 150 151 A I G X4 S+ 0 0 15 -3,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.689 98.0 61.7 -74.3 -10.3 52.7 6.2 29.9 151 152 A L G X4 S+ 0 0 37 -3,-2.4 3,-0.9 -4,-0.2 -1,-0.3 0.688 89.2 66.1 -87.4 -17.0 50.5 8.8 31.5 152 153 A E G << S+ 0 0 162 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.418 103.6 51.3 -82.1 7.1 52.2 8.5 34.9 153 154 A G G < S+ 0 0 53 -3,-0.7 2,-0.2 1,-0.2 -1,-0.2 0.124 103.1 55.3-130.1 16.5 55.3 10.0 33.1 154 155 A F < + 0 0 29 -3,-0.9 2,-0.3 2,-0.0 -1,-0.2 -0.784 49.8 148.2-150.0 100.9 54.0 13.1 31.4 155 156 A K - 0 0 153 -2,-0.2 -4,-0.0 -3,-0.1 -3,-0.0 -0.733 30.8-157.6-143.8 97.5 52.1 15.8 33.3 156 157 A K - 0 0 61 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.332 5.3-123.8 -61.4 179.4 52.7 19.3 31.8 157 158 A E - 0 0 108 1,-0.1 -1,-0.1 7,-0.1 11,-0.1 -0.846 8.0-125.2-130.7 164.3 52.5 22.8 33.3 158 159 A N + 0 0 97 -2,-0.3 2,-0.2 10,-0.0 -1,-0.1 0.182 24.3 174.4 -81.5-152.8 50.8 26.1 32.7 159 160 A T - 0 0 55 -2,-0.0 6,-0.2 6,-0.0 5,-0.1 -0.354 46.8-107.3 140.8 141.0 52.5 29.5 32.3 160 161 A H S S+ 0 0 98 -2,-0.2 2,-0.7 -89,-0.1 3,-0.1 0.323 96.7 95.6 -73.7 5.2 50.9 32.9 31.5 161 162 A L >> - 0 0 76 1,-0.1 3,-2.2 2,-0.0 4,-1.6 -0.902 62.4-160.6-104.4 97.5 52.6 32.5 28.1 162 163 A A H 3> S+ 0 0 4 -2,-0.7 4,-2.8 1,-0.3 5,-0.3 0.829 92.8 60.8 -41.8 -40.6 50.2 31.1 25.5 163 164 A L H 3> S+ 0 0 28 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.781 104.2 49.3 -70.8 -21.6 53.2 30.1 23.4 164 165 A D H <> S+ 0 0 58 -3,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.844 108.3 54.5 -81.8 -31.5 54.4 28.0 26.2 165 166 A D H >X S+ 0 0 32 -4,-1.6 4,-1.7 2,-0.2 3,-0.6 0.933 110.4 44.2 -64.8 -47.8 50.9 26.4 26.4 166 167 A I H 3X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.931 108.2 60.3 -62.5 -39.0 50.9 25.5 22.8 167 168 A R H 3X S+ 0 0 89 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.808 105.3 47.7 -63.0 -25.5 54.4 24.2 23.2 168 169 A E H X S+ 0 0 16 -4,-1.2 4,-2.4 2,-0.2 3,-0.5 0.962 110.0 54.1 -66.5 -45.0 52.0 14.9 21.0 174 175 A A H 3X S+ 0 0 32 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.828 106.3 54.2 -55.4 -38.7 55.7 14.4 20.6 175 176 A Y H 3X S+ 0 0 39 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.3 0.879 107.7 48.0 -64.6 -41.2 55.5 12.3 23.7 176 177 A Y H S+ 0 0 0 -4,-1.8 4,-1.7 -3,-0.5 5,-1.3 0.810 106.7 56.4 -72.6 -30.9 52.7 10.0 22.3 177 178 A R H <5S+ 0 0 82 -4,-2.4 6,-0.3 3,-0.2 4,-0.3 0.896 113.9 43.9 -62.4 -36.3 54.7 9.6 19.0 178 179 A E H <5S+ 0 0 143 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.964 130.6 16.4 -65.4 -66.6 57.5 8.3 21.3 179 180 A H H <5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.158 132.9 33.4-106.7 20.9 55.7 6.0 23.7 180 181 A F T <5S+ 0 0 41 -4,-1.7 2,-0.3 1,-0.1 -3,-0.2 0.508 102.4 68.2-147.5 -14.6 52.3 5.3 22.1 181 182 A X < - 0 0 72 -5,-1.3 2,-0.6 -4,-0.3 -1,-0.1 -0.771 61.2-146.3 -98.4 166.8 52.7 5.2 18.3 182 183 A K + 0 0 173 -2,-0.3 -4,-0.1 1,-0.1 -5,-0.0 -0.842 25.9 167.2-132.4 97.5 54.5 2.8 16.1 183 184 A L 0 0 107 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.795 360.0 360.0 -89.3 -22.6 55.9 4.7 13.2 184 185 A D 0 0 187 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.289 360.0 360.0 62.4 360.0 58.3 2.3 11.6