==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-13 4BLQ . COMPND 2 MOLECULE: P4; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PHI8; . AUTHOR K.EL OMARI,C.MEIER,D.KAINOV,G.SUTTON,J.M.GRIMES,M.M.PORANEN, . 1602 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1221 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 258 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 165 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.2 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 6 6 6 0 0 0 6 0 1 5 0 12 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 6 0 6 12 6 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 . 6 0 0 0 12 6 0 0 6 6 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 6 0 0 6 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 12 A N 0 0 113 0, 0.0 2,-0.3 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 138.6 -34.5 -21.8 31.1 2 13 A S - 0 0 77 121,-0.1 121,-0.4 116,-0.0 2,-0.4 -0.932 360.0 -92.7-145.6 164.8 -36.4 -18.7 29.7 3 14 A I - 0 0 67 -2,-0.3 2,-0.4 119,-0.1 121,-0.2 -0.684 37.5-137.2 -83.9 132.4 -37.6 -17.2 26.4 4 15 A I E -a 124 0A 77 119,-2.6 121,-2.8 -2,-0.4 2,-0.7 -0.760 4.5-143.6 -92.0 132.8 -35.3 -14.7 24.7 5 16 A D E -a 125 0A 94 -2,-0.4 4,-0.3 119,-0.2 121,-0.2 -0.890 15.4-176.5 -98.9 109.9 -36.6 -11.4 23.2 6 17 A L > + 0 0 3 119,-2.2 4,-1.9 -2,-0.7 3,-0.4 0.566 61.2 94.0 -81.4 -12.9 -34.6 -10.7 20.0 7 18 A G H > S+ 0 0 5 118,-0.6 4,-2.4 1,-0.2 3,-0.4 0.902 83.8 46.2 -46.3 -58.7 -36.5 -7.4 19.4 8 19 A P H > S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.832 111.7 53.3 -59.1 -33.1 -33.9 -5.1 21.2 9 20 A R H > S+ 0 0 104 -3,-0.4 4,-1.5 -4,-0.3 -2,-0.2 0.858 110.4 46.2 -69.6 -36.6 -31.0 -6.9 19.3 10 21 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.4 -1,-0.2 0.924 111.9 53.2 -67.6 -45.1 -32.7 -6.3 15.9 11 22 A Q H X S+ 0 0 63 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.871 110.9 45.0 -57.3 -44.1 -33.3 -2.6 17.0 12 23 A S H X S+ 0 0 55 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.807 111.7 52.8 -73.9 -30.1 -29.6 -2.0 17.9 13 24 A L H X S+ 0 0 5 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.906 106.4 53.3 -68.7 -41.0 -28.4 -3.8 14.6 14 25 A M H < S+ 0 0 11 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.809 106.5 53.0 -62.5 -32.9 -30.7 -1.4 12.5 15 26 A E H >< S+ 0 0 100 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.878 111.1 46.1 -68.6 -38.4 -29.1 1.6 14.3 16 27 A Q H 3< S+ 0 0 99 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.750 109.0 56.0 -73.3 -28.2 -25.6 0.3 13.2 17 28 A L T 3< S+ 0 0 0 -4,-1.6 2,-1.6 1,-0.2 1391,-0.3 0.463 77.6 98.0 -83.8 -5.8 -26.9 -0.4 9.7 18 29 A A < + 0 0 33 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.2 -0.307 59.7 132.4 -81.7 52.9 -28.0 3.2 9.2 19 30 A T - 0 0 50 -2,-1.6 1388,-2.3 1,-0.1 3,-0.4 -0.726 62.7-140.0-105.1 154.3 -24.7 4.0 7.3 20 31 A T S S+ 0 0 92 1386,-0.3 3,-0.2 -2,-0.3 2,-0.1 0.563 102.0 52.1 -84.4 -14.8 -24.1 5.9 4.0 21 32 A K > + 0 0 124 1,-0.1 4,-0.7 2,-0.1 3,-0.5 -0.500 54.7 139.1-125.8 62.7 -21.4 3.2 3.1 22 33 A L T 4 S+ 0 0 0 -3,-0.4 36,-2.4 1,-0.2 4,-0.2 0.663 72.4 68.2 -77.3 -14.5 -23.0 -0.3 3.5 23 34 A E T 4 S+ 0 0 68 34,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.810 99.9 48.4 -69.9 -32.0 -21.2 -1.2 0.2 24 35 A E T 4 S- 0 0 117 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.745 119.4-125.1 -75.3 -28.9 -17.9 -0.9 2.3 25 36 A G < - 0 0 15 -4,-0.7 2,-0.6 33,-0.1 32,-0.2 0.058 2.5-102.7 97.6 154.5 -19.5 -3.1 5.0 26 37 A V B -H 56 0B 23 30,-2.6 30,-1.0 -4,-0.2 3,-0.2 -0.968 48.4-178.1-114.3 106.6 -20.1 -2.8 8.7 27 38 A K + 0 0 125 -2,-0.6 28,-0.1 28,-0.2 -2,-0.0 -0.315 48.5 47.6 -96.6-178.6 -17.5 -5.0 10.6 28 39 A N S S+ 0 0 147 1,-0.2 -1,-0.2 -2,-0.1 27,-0.1 0.703 71.7 147.3 54.3 35.1 -16.8 -5.9 14.2 29 40 A L - 0 0 15 25,-1.7 -1,-0.2 -3,-0.2 3,-0.1 -0.396 45.0-145.0 -84.7 168.0 -20.4 -6.8 15.1 30 41 A D + 0 0 136 -2,-0.1 24,-0.2 1,-0.1 3,-0.1 -0.455 42.4 145.7-133.6 60.2 -21.2 -9.6 17.6 31 42 A M S S- 0 0 4 22,-2.5 2,-0.2 1,-0.2 -1,-0.1 0.769 71.4 -67.2 -67.7 -28.5 -24.4 -11.1 16.0 32 43 A G - 0 0 10 -3,-0.1 -1,-0.2 21,-0.1 120,-0.2 -0.509 32.2-157.0 143.1 148.7 -23.4 -14.7 17.2 33 44 A S + 0 0 106 -2,-0.2 119,-0.2 -3,-0.1 3,-0.1 0.263 67.5 100.9-132.5 8.3 -20.9 -17.5 16.7 34 45 A V S S+ 0 0 84 117,-1.3 2,-0.3 1,-0.2 118,-0.2 0.878 97.4 21.4 -64.0 -36.8 -22.7 -20.7 17.9 35 46 A Y S S- 0 0 32 116,-1.3 2,-0.9 45,-0.1 -1,-0.2 -0.996 78.4-127.0-136.4 137.2 -23.4 -21.5 14.1 36 47 A E + 0 0 117 -2,-0.3 41,-1.8 -3,-0.1 2,-0.3 -0.739 48.0 155.4 -83.8 102.1 -21.6 -20.4 10.9 37 48 A I E -I 76 0B 0 -2,-0.9 15,-1.7 39,-0.2 2,-0.5 -0.973 32.4-156.6-132.7 145.3 -24.5 -19.0 8.7 38 49 A T E -IJ 75 51B 24 37,-2.4 37,-2.1 -2,-0.3 2,-0.5 -0.993 10.6-160.2-122.7 119.0 -24.6 -16.5 5.8 39 50 A T E -IJ 74 50B 0 11,-2.1 11,-3.1 -2,-0.5 2,-0.5 -0.911 6.8-172.5-102.8 122.9 -28.0 -14.8 5.2 40 51 A V E +IJ 73 49B 15 33,-2.8 33,-2.6 -2,-0.5 2,-0.3 -0.979 12.2 171.1-118.7 115.5 -28.4 -13.2 1.7 41 52 A M E -IJ 72 48B 0 7,-2.8 7,-3.0 -2,-0.5 2,-0.5 -0.886 31.0-121.7-123.1 157.6 -31.6 -11.1 1.1 42 53 A V E - J 0 47B 19 29,-2.2 2,-0.5 -2,-0.3 5,-0.2 -0.863 21.2-175.1-103.9 129.1 -32.8 -8.8 -1.6 43 54 A L E > - J 0 46B 17 3,-2.4 3,-2.1 -2,-0.5 2,-0.6 -0.948 69.1 -51.8-121.0 98.6 -33.6 -5.1 -0.8 44 55 A G T 3 S- 0 0 40 -2,-0.5 22,-0.1 1,-0.3 1364,-0.0 -0.580 121.1 -25.6 71.7-112.6 -35.0 -3.5 -3.8 45 56 A N T 3 S+ 0 0 83 -2,-0.6 20,-1.4 20,-0.1 -1,-0.3 0.366 125.5 88.7-108.9 -2.4 -32.5 -4.3 -6.6 46 57 A S E < S-J 43 0B 16 -3,-2.1 -3,-2.4 14,-0.1 2,-0.4 -0.525 71.8-127.4 -97.6 161.4 -29.6 -4.6 -4.1 47 58 A I E -JK 42 59B 14 12,-2.9 12,-2.6 -5,-0.2 2,-0.5 -0.937 15.8-162.9-109.5 130.9 -28.3 -7.7 -2.2 48 59 A L E -JK 41 58B 0 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.4 -0.977 10.6-165.9-116.7 119.7 -27.8 -7.5 1.6 49 60 A G E -JK 40 57B 4 8,-2.7 8,-2.0 -2,-0.5 2,-0.7 -0.924 15.6-160.0-111.7 132.2 -25.5 -10.1 3.1 50 61 A F E -JK 39 56B 0 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.8 -0.940 17.4-160.6-106.9 100.9 -25.1 -11.1 6.8 51 62 A H E >> -JK 38 55B 72 4,-2.2 4,-1.9 -2,-0.7 3,-0.9 -0.822 49.7 -64.6 -95.0 106.6 -21.8 -12.9 7.0 52 63 A K T 34 S- 0 0 101 -15,-1.7 -13,-0.1 -2,-0.8 99,-0.1 -0.303 96.1 -46.8 54.0-127.6 -21.5 -15.1 10.2 53 64 A G T 34 S+ 0 0 6 -22,-0.1 -22,-2.5 -24,-0.1 -1,-0.2 0.431 133.9 54.4-112.8 -1.1 -21.6 -12.7 13.3 54 65 A D T <4 S+ 0 0 75 -3,-0.9 -25,-1.7 -24,-0.2 2,-0.3 0.859 96.6 50.8-100.4 -51.1 -19.0 -10.1 12.2 55 66 A L E < + K 0 51B 35 -4,-1.9 -4,-2.2 -28,-0.1 2,-0.3 -0.778 38.6 175.2-107.3 149.8 -20.0 -8.6 8.7 56 67 A V E +HK 26 50B 0 -30,-1.0 -30,-2.6 -2,-0.3 2,-0.3 -0.952 22.1 169.5-144.2 114.6 -23.0 -7.1 7.0 57 68 A K E - K 0 49B 78 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.4 -0.996 23.8-145.2-135.0 141.8 -22.4 -5.7 3.5 58 69 A M E - K 0 48B 3 -36,-2.4 2,-0.4 -2,-0.3 -10,-0.2 -0.862 13.3-168.0-105.1 137.3 -24.6 -4.5 0.7 59 70 A V E - K 0 47B 46 -12,-2.6 -12,-2.9 -2,-0.4 498,-0.0 -0.966 14.0-152.4-125.1 142.8 -23.8 -5.1 -3.0 60 71 A R - 0 0 127 -2,-0.4 -14,-0.1 -14,-0.2 4,-0.1 -0.869 24.9-155.9-111.2 86.2 -25.6 -3.4 -6.0 61 72 A P - 0 0 14 0, 0.0 497,-0.3 0, 0.0 4,-0.1 -0.280 24.9-116.3 -67.1 157.4 -25.2 -5.9 -8.8 62 73 A S S S+ 0 0 15 495,-2.6 2,-0.3 493,-0.2 496,-0.1 0.857 106.3 46.9 -58.0 -39.8 -25.3 -4.9 -12.6 63 74 A V S S- 0 0 5 492,-0.4 5,-0.1 494,-0.3 533,-0.0 -0.772 110.7 -87.2-102.2 149.4 -28.6 -7.0 -13.0 64 75 A S >> - 0 0 24 -2,-0.3 4,-1.6 1,-0.1 3,-0.8 -0.259 24.6-132.0 -57.5 140.9 -31.4 -6.6 -10.4 65 76 A A H 3>>S+ 0 0 0 -20,-1.4 4,-3.2 1,-0.2 5,-1.8 0.706 107.4 67.1 -64.3 -21.8 -31.2 -8.9 -7.3 66 77 A R H 345S+ 0 0 129 3,-0.2 -1,-0.2 2,-0.2 610,-0.1 0.856 107.2 37.6 -65.0 -39.9 -34.9 -9.7 -8.1 67 78 A D H <45S+ 0 0 28 -3,-0.8 612,-0.3 1,-0.1 609,-0.3 0.808 122.0 46.4 -80.0 -34.2 -33.8 -11.5 -11.3 68 79 A L H <5S- 0 0 4 -4,-1.6 -2,-0.2 610,-0.1 -3,-0.2 0.955 139.4 -8.3 -72.0 -58.2 -30.7 -13.0 -9.7 69 80 A I T <5S- 0 0 27 -4,-3.2 2,-0.6 1,-0.1 605,-0.4 0.804 73.2-153.2-110.9 -57.0 -32.1 -14.3 -6.3 70 81 A G S - 0 0 40 -41,-1.8 3,-1.6 -2,-0.3 -1,-0.0 -0.389 32.1-117.6 -69.2 151.2 -21.7 -24.8 7.6 78 89 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.657 115.5 62.7 -65.3 -14.5 -21.8 -28.6 7.4 79 90 A A T 3 S+ 0 0 81 -43,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.586 75.6 116.0 -82.5 -16.5 -21.2 -28.6 11.2 80 91 A V < + 0 0 14 -3,-1.6 2,-0.3 -44,-0.2 -45,-0.1 -0.450 32.5 145.8 -66.2 117.7 -24.6 -26.8 11.9 81 92 A V - 0 0 62 -2,-0.4 2,-0.9 114,-0.0 3,-0.1 -0.943 41.4-148.1-153.2 129.0 -27.0 -29.1 13.8 82 93 A R >> - 0 0 1 -2,-0.3 3,-1.1 114,-0.2 4,-0.9 -0.819 19.7-174.8-101.4 85.3 -29.6 -28.1 16.5 83 94 A Q H 3> S+ 0 0 99 -2,-0.9 4,-2.3 1,-0.2 3,-0.2 0.768 75.8 62.2 -52.3 -38.4 -29.4 -31.2 18.7 84 95 A R H 3> S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.812 100.0 55.1 -63.9 -31.2 -32.3 -30.2 21.0 85 96 A L H <4>S+ 0 0 4 -3,-1.1 5,-3.4 2,-0.2 -1,-0.2 0.883 110.1 46.2 -67.3 -38.5 -34.8 -30.2 18.0 86 97 A I H ><5S+ 0 0 99 -4,-0.9 3,-1.3 3,-0.2 -2,-0.2 0.927 111.4 51.9 -67.7 -47.4 -33.7 -33.9 17.3 87 98 A E H 3<5S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.795 117.4 38.3 -57.8 -37.1 -34.0 -34.9 21.0 88 99 A H T 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.205 113.8-117.7-103.4 13.4 -37.6 -33.4 21.2 89 100 A K T < 5 + 0 0 185 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.841 60.0 151.4 51.6 47.8 -38.5 -34.7 17.6 90 101 A I < - 0 0 22 -5,-3.4 2,-0.2 -6,-0.1 -1,-0.2 -0.938 37.1-140.5-108.8 121.0 -39.1 -31.2 16.1 91 102 A E - 0 0 111 -2,-0.5 136,-0.0 1,-0.1 102,-0.0 -0.588 19.2-111.3 -83.4 142.3 -38.5 -30.9 12.4 92 103 A A + 0 0 21 -2,-0.2 106,-0.2 106,-0.1 2,-0.2 -0.269 69.5 78.7 -66.8 155.2 -36.8 -27.9 10.8 93 104 A G E S-b 198 0A 0 104,-2.1 106,-2.1 99,-0.3 2,-0.3 -0.709 77.2 -62.1 130.6 176.2 -38.8 -25.6 8.6 94 105 A A E -b 199 0A 0 -2,-0.2 133,-1.5 104,-0.2 134,-1.1 -0.758 36.2-164.9-103.2 149.0 -41.3 -22.8 8.8 95 106 A E E -bc 200 228A 14 104,-2.3 106,-3.4 -2,-0.3 2,-0.4 -0.938 8.9-146.7-127.4 143.9 -44.8 -22.9 10.3 96 107 A L E -bc 201 229A 1 132,-2.1 134,-3.2 -2,-0.3 2,-0.6 -0.975 7.5-167.2-119.5 132.8 -47.7 -20.3 9.8 97 108 A I E -bc 202 230A 0 104,-2.3 106,-1.9 -2,-0.4 2,-0.4 -0.978 21.0-178.4-112.7 110.1 -50.3 -19.3 12.4 98 109 A I E +bc 203 231A 0 132,-3.2 134,-2.5 -2,-0.6 2,-0.3 -0.928 7.0 170.8-116.9 139.2 -53.0 -17.3 10.6 99 110 A S E - c 0 232A 0 104,-1.8 134,-0.1 -2,-0.4 5,-0.1 -0.961 8.3-179.8-141.5 157.6 -56.2 -15.7 12.1 100 111 A G S > S- 0 0 7 132,-0.5 3,-0.7 -2,-0.3 5,-0.1 0.167 72.4 -15.7-120.4-118.9 -58.9 -13.4 10.9 101 112 A T T 3 S+ 0 0 116 1,-0.2 132,-0.1 2,-0.1 133,-0.0 0.721 130.4 62.7 -67.0 -24.9 -62.0 -11.9 12.7 102 113 A A T 3 S- 0 0 30 130,-0.3 -1,-0.2 1,-0.2 131,-0.1 0.804 85.8-175.7 -70.0 -34.3 -61.6 -14.6 15.4 103 114 A G < + 0 0 18 -3,-0.7 -3,-0.2 129,-0.2 -1,-0.2 -0.297 37.8 125.5 69.9-153.7 -58.1 -13.3 16.5 104 115 A G > + 0 0 15 -5,-0.1 4,-2.1 131,-0.1 5,-0.1 0.558 32.8 125.9 76.6 15.8 -56.0 -15.1 19.1 105 116 A K H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.907 78.9 44.2 -70.2 -39.8 -52.8 -15.4 17.0 106 117 A T H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.895 113.4 51.3 -69.0 -42.3 -50.6 -13.7 19.7 107 118 A V H > S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 159,-0.3 0.897 113.1 45.7 -61.7 -42.3 -52.2 -15.7 22.5 108 119 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.870 111.0 52.7 -68.4 -39.5 -51.6 -18.9 20.6 109 120 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 111.0 46.4 -60.8 -49.0 -47.9 -17.9 19.9 110 121 A N H X S+ 0 0 18 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.828 112.2 52.6 -62.4 -35.5 -47.2 -17.2 23.6 111 122 A H H X S+ 0 0 24 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.939 113.8 40.8 -65.3 -50.9 -48.9 -20.5 24.5 112 123 A Y H X S+ 0 0 22 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.853 114.1 54.4 -67.5 -36.8 -46.7 -22.5 22.0 113 124 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.904 111.6 43.4 -62.1 -46.1 -43.6 -20.5 23.0 114 125 A A H X S+ 0 0 31 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.828 112.1 54.9 -68.4 -35.6 -44.0 -21.3 26.7 115 126 A Q H X S+ 0 0 83 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.870 111.4 43.5 -64.6 -43.4 -44.8 -24.9 25.9 116 127 A M H X>S+ 0 0 24 -4,-2.0 5,-1.7 2,-0.2 4,-1.0 0.841 112.8 52.3 -71.3 -38.5 -41.5 -25.3 24.0 117 128 A C H ><5S+ 0 0 18 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.897 110.1 48.6 -64.0 -42.2 -39.5 -23.4 26.7 118 129 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.767 106.2 59.0 -67.6 -28.9 -41.0 -25.8 29.4 119 130 A K H 3<5S- 0 0 114 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.757 124.8-101.1 -72.1 -27.8 -40.0 -28.8 27.1 120 131 A G T <<5S+ 0 0 32 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.269 75.9 134.3 123.1 -8.2 -36.3 -27.7 27.2 121 132 A L < - 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