==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-13 3ZJF . COMPND 2 MOLECULE: A20P50; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.KULATHU,F.J.GARCIA,T.E.T.MEVISSEN,M.BUSCH,N.ARNAUDO,K.S.CA . 645 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 34 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 1 0 0 2 2 1 8 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 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 PARALLEL BRIDGES PER LADDER . 2 2 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 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 6 A L 0 0 75 0, 0.0 315,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 136.9 -9.2 43.3 7.6 2 7 A P - 0 0 8 0, 0.0 60,-0.1 0, 0.0 6,-0.1 -0.185 360.0-130.2 -63.0 153.8 -9.4 39.5 7.3 3 8 A Q S S+ 0 0 77 1,-0.1 2,-0.3 59,-0.1 3,-0.1 0.475 87.5 20.6 -85.3 -4.7 -6.9 37.8 5.0 4 9 A A S > S- 0 0 27 1,-0.1 3,-1.1 59,-0.0 4,-0.3 -0.978 81.5-107.1-159.6 159.3 -9.6 35.8 3.2 5 10 A L G > S+ 0 0 20 57,-0.3 3,-2.1 -2,-0.3 4,-0.3 0.874 112.4 54.4 -51.7 -53.6 -13.3 35.8 2.6 6 11 A Y G > S+ 0 0 121 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.714 95.8 69.1 -62.0 -23.2 -14.3 32.9 4.8 7 12 A L G < S+ 0 0 26 -3,-1.1 331,-0.6 1,-0.2 3,-0.4 0.624 82.6 74.2 -72.9 -12.3 -12.6 34.5 7.8 8 13 A S G < S+ 0 0 0 -3,-2.1 331,-1.4 -4,-0.3 -1,-0.2 0.750 120.3 0.9 -75.9 -22.1 -15.2 37.3 7.9 9 14 A N <> + 0 0 9 -3,-1.1 4,-2.2 -4,-0.3 -1,-0.2 -0.375 63.0 170.7-165.1 78.6 -17.9 35.0 9.4 10 15 A M H > S+ 0 0 31 325,-0.6 4,-2.0 -3,-0.4 327,-0.2 0.843 83.5 56.8 -61.7 -34.6 -16.8 31.4 10.0 11 16 A R H > S+ 0 0 44 325,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.935 109.3 43.9 -64.1 -47.0 -20.1 30.8 11.8 12 17 A K H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.848 108.1 60.3 -67.1 -34.1 -22.2 31.8 8.8 13 18 A A H X S+ 0 0 9 -4,-2.2 4,-2.3 -7,-0.2 -1,-0.2 0.947 106.9 45.5 -56.9 -49.6 -19.9 29.8 6.5 14 19 A V H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.849 109.7 54.4 -62.9 -40.5 -20.8 26.6 8.4 15 20 A K H X S+ 0 0 70 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.964 109.3 49.1 -58.0 -49.1 -24.5 27.5 8.4 16 21 A I H >X S+ 0 0 1 -4,-2.7 3,-1.3 1,-0.2 4,-1.1 0.965 110.9 48.5 -53.9 -56.6 -24.4 27.8 4.6 17 22 A R H >< S+ 0 0 19 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.877 107.0 57.7 -52.4 -41.4 -22.6 24.5 4.1 18 23 A E H 3< S+ 0 0 94 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.714 102.1 55.1 -67.0 -24.0 -25.1 22.7 6.4 19 24 A R H XX S+ 0 0 88 -4,-1.3 3,-0.8 -3,-1.3 4,-0.7 0.854 95.2 71.5 -68.2 -33.4 -28.0 23.8 4.2 20 25 A T G X< S+ 0 0 5 -4,-1.1 3,-1.3 -3,-0.6 4,-0.3 0.875 94.5 44.9 -59.7 -50.9 -26.5 22.3 1.1 21 26 A P G >4 S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.737 112.1 55.5 -68.9 -17.1 -26.8 18.5 1.6 22 27 A E G <4 S+ 0 0 152 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.580 100.2 59.7 -87.8 -11.7 -30.4 19.0 2.8 23 28 A D G << S+ 0 0 15 -3,-1.3 13,-2.7 -4,-0.7 2,-0.5 0.439 86.5 102.0 -89.9 0.9 -31.2 20.8 -0.4 24 29 A I E < -A 35 0A 23 -3,-0.5 2,-0.5 -4,-0.3 11,-0.2 -0.693 56.0-162.1 -90.6 129.4 -30.3 17.6 -2.3 25 30 A F E -A 34 0A 101 9,-2.9 9,-1.8 -2,-0.5 -2,-0.0 -0.918 3.0-157.2-108.9 135.4 -33.0 15.4 -3.6 26 31 A K - 0 0 118 -2,-0.5 7,-0.1 7,-0.2 6,-0.1 -0.911 12.4-148.2-112.5 110.5 -32.3 11.8 -4.6 27 32 A P - 0 0 25 0, 0.0 6,-0.1 0, 0.0 3,-0.0 -0.186 7.1-150.9 -68.5 170.5 -34.7 10.3 -7.1 28 33 A T S S+ 0 0 148 1,-0.1 4,-0.0 4,-0.1 -2,-0.0 0.449 85.2 70.6-118.8 -6.7 -35.5 6.6 -7.1 29 34 A N S S- 0 0 122 2,-0.1 3,-0.1 3,-0.1 -1,-0.1 0.276 122.3 -89.4 -94.8 10.6 -36.4 6.1 -10.8 30 35 A G S S+ 0 0 59 1,-0.4 99,-0.2 98,-0.0 2,-0.1 0.262 82.3 142.4 101.1 -10.5 -32.8 6.5 -11.9 31 36 A I - 0 0 82 1,-0.1 -1,-0.4 97,-0.1 3,-0.1 -0.400 60.9 -99.1 -64.1 137.1 -33.1 10.3 -12.3 32 37 A I - 0 0 13 176,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.169 38.3-106.9 -57.0 144.5 -29.9 12.0 -11.3 33 38 A H + 0 0 14 87,-0.1 2,-0.3 -7,-0.1 -7,-0.2 -0.487 51.1 168.5 -74.4 149.7 -29.8 13.6 -7.8 34 39 A H E -A 25 0A 17 -9,-1.8 -9,-2.9 -2,-0.1 2,-0.3 -0.980 37.5 -83.3-159.2 162.7 -30.0 17.4 -7.9 35 40 A F E -A 24 0A 0 146,-1.5 -11,-0.2 -2,-0.3 -15,-0.0 -0.589 25.6-155.4 -81.6 137.3 -30.5 20.6 -5.9 36 41 A K S S- 0 0 99 -13,-2.7 -1,-0.1 -2,-0.3 -12,-0.1 0.864 79.2 -19.2 -75.3 -38.7 -34.0 21.6 -5.2 37 42 A T S > S+ 0 0 67 -14,-0.3 3,-1.6 2,-0.0 -2,-0.1 0.641 115.8 74.7-141.3 -36.3 -33.5 25.4 -4.6 38 43 A M G > S+ 0 0 7 1,-0.3 3,-1.6 2,-0.2 -18,-0.0 0.626 79.5 77.9 -76.7 -14.8 -29.9 26.6 -3.9 39 44 A H G 3 S+ 0 0 1 1,-0.3 -1,-0.3 143,-0.0 143,-0.0 0.738 85.8 66.4 -65.7 -18.1 -28.7 26.1 -7.4 40 45 A R G < S+ 0 0 105 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.483 79.0 104.7 -83.1 -3.4 -30.5 29.4 -8.2 41 46 A Y < - 0 0 53 -3,-1.6 2,-0.4 -4,-0.1 67,-0.1 -0.513 46.7-174.5 -82.3 149.1 -28.3 31.6 -6.0 42 47 A T - 0 0 0 -2,-0.2 263,-2.4 261,-0.1 264,-1.3 -0.994 14.5-140.6-146.4 136.1 -25.6 33.9 -7.4 43 48 A L - 0 0 0 63,-2.7 190,-0.5 -2,-0.4 2,-0.4 -0.697 11.5-163.7 -95.4 139.7 -23.0 36.0 -5.7 44 49 A E E -b 233 0B 9 -2,-0.3 2,-0.3 188,-0.1 190,-0.2 -0.938 17.8-129.0-117.2 148.1 -22.0 39.5 -6.9 45 50 A M E -b 234 0B 8 188,-2.9 190,-3.2 -2,-0.4 2,-0.1 -0.729 21.5-122.6 -96.8 145.9 -18.8 41.2 -5.8 46 51 A F - 0 0 18 -2,-0.3 2,-0.4 188,-0.2 -1,-0.0 -0.435 30.2 -98.0 -86.1 161.1 -18.7 44.8 -4.3 47 52 A R - 0 0 96 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.635 31.5-176.8 -85.6 134.4 -16.7 47.8 -5.7 48 53 A T > + 0 0 18 -2,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.484 65.2 85.3-109.1 -8.7 -13.4 48.5 -4.0 49 54 A C T 3 + 0 0 72 1,-0.3 -1,-0.2 7,-0.1 7,-0.1 0.590 68.4 83.4 -77.0 -10.1 -12.3 51.6 -5.9 50 55 A Q T 3 S+ 0 0 107 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.420 92.4 62.7 -70.8 2.9 -14.4 53.7 -3.5 51 56 A F S < S- 0 0 15 -3,-1.1 -3,-0.0 2,-0.0 273,-0.0 -0.294 95.7 -81.8-113.9-163.7 -11.3 53.4 -1.3 52 57 A C >> - 0 0 58 -2,-0.1 3,-3.5 1,-0.1 4,-1.8 -0.872 42.0-103.7-114.1 144.2 -7.6 54.4 -1.4 53 58 A P H 3> S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.680 121.1 50.1 -33.0 -45.1 -4.7 52.6 -3.2 54 59 A Q H 3> S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.784 115.5 44.9 -68.2 -27.0 -3.3 51.1 -0.0 55 60 A F H <> S+ 0 0 37 -3,-3.5 4,-2.6 2,-0.2 5,-0.2 0.893 108.8 53.8 -83.9 -48.4 -6.8 49.9 0.9 56 61 A R H X S+ 0 0 89 -4,-1.8 4,-3.3 1,-0.2 5,-0.2 0.943 106.6 57.5 -42.0 -51.4 -7.6 48.5 -2.5 57 62 A E H X S+ 0 0 91 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.908 107.3 43.0 -52.6 -55.4 -4.4 46.6 -2.1 58 63 A I H X S+ 0 0 62 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.912 115.1 50.9 -61.3 -43.4 -5.3 44.7 1.1 59 64 A I H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.943 114.3 44.5 -56.6 -45.4 -8.8 44.1 -0.3 60 65 A H H X S+ 0 0 52 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.894 111.2 51.1 -70.3 -38.9 -7.3 42.7 -3.5 61 66 A K H < S+ 0 0 146 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.815 115.7 44.5 -70.9 -28.0 -4.6 40.6 -1.9 62 67 A A H < S+ 0 0 4 -4,-1.9 -57,-0.3 -5,-0.3 -2,-0.2 0.964 130.9 14.4 -76.4 -55.4 -7.2 39.0 0.4 63 68 A L H < S+ 0 0 7 -4,-2.6 28,-2.7 -5,-0.2 2,-0.4 0.823 107.2 76.6 -94.2 -32.9 -10.1 38.3 -2.0 64 69 A I B < -D 90 0C 12 -4,-1.8 2,-1.5 -5,-0.4 26,-0.3 -0.684 60.9-144.8-100.1 131.0 -8.8 38.5 -5.6 65 70 A D > + 0 0 20 24,-2.4 4,-2.0 -2,-0.4 24,-0.2 -0.713 28.4 176.2 -85.2 89.8 -6.7 36.0 -7.6 66 71 A R H > S+ 0 0 96 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.705 70.0 60.7 -74.9 -20.6 -4.8 38.7 -9.5 67 72 A N H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 110.7 37.9 -67.1 -52.3 -2.6 36.2 -11.3 68 73 A I H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.901 115.0 56.2 -67.0 -39.4 -5.4 34.4 -13.0 69 74 A Q H X S+ 0 0 15 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.949 111.6 43.0 -56.3 -50.6 -7.2 37.7 -13.5 70 75 A A H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.866 112.4 51.4 -69.3 -42.0 -4.2 39.2 -15.3 71 76 A T H X S+ 0 0 37 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.934 113.9 44.1 -58.4 -52.6 -3.4 36.1 -17.4 72 77 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 6,-1.4 0.905 116.5 47.1 -64.5 -38.4 -7.0 35.8 -18.7 73 78 A E H ><5S+ 0 0 65 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.909 106.8 56.4 -66.6 -38.5 -7.3 39.5 -19.4 74 79 A S H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.698 104.7 54.0 -71.8 -18.8 -3.9 39.7 -21.2 75 80 A Q T 3<5S- 0 0 42 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.314 114.8-116.6 -86.2 3.7 -5.1 37.1 -23.6 76 81 A K T < 5S+ 0 0 104 -3,-2.0 173,-0.4 2,-0.2 -3,-0.2 0.762 88.8 113.8 61.3 27.6 -8.2 39.1 -24.5 77 82 A K < + 0 0 25 -5,-2.1 2,-0.4 1,-0.2 -4,-0.2 0.726 68.2 44.3 -97.3 -28.0 -10.2 36.2 -23.0 78 83 A L S S- 0 0 4 -6,-1.4 -1,-0.2 1,-0.2 -2,-0.2 -0.980 123.3 -2.4-122.1 133.4 -11.7 38.0 -19.9 79 84 A N S S+ 0 0 48 -2,-0.4 -1,-0.2 6,-0.1 -2,-0.1 0.879 82.7 134.6 61.7 40.6 -13.3 41.4 -19.8 80 85 A W + 0 0 23 -3,-0.1 2,-0.5 -4,-0.1 -1,-0.1 0.666 42.4 86.3 -96.9 -15.2 -12.6 42.2 -23.5 81 86 A C > - 0 0 11 1,-0.1 3,-0.7 4,-0.1 204,-0.1 -0.725 62.7-152.8 -88.1 134.5 -16.0 43.7 -24.5 82 87 A R T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 203,-0.1 0.790 92.6 59.7 -72.8 -26.4 -16.5 47.4 -23.9 83 88 A E T 3 S+ 0 0 97 201,-0.2 158,-1.6 157,-0.1 2,-0.3 0.751 95.3 76.9 -71.7 -22.3 -20.3 46.9 -23.5 84 89 A V B < S-e 241 0D 20 -3,-0.7 158,-0.2 156,-0.2 156,-0.1 -0.641 81.7-101.1-112.0 151.6 -20.2 44.5 -20.6 85 90 A R - 0 0 21 156,-2.5 158,-0.2 -2,-0.3 -6,-0.1 -0.234 47.5-102.0 -59.4 142.4 -19.7 44.5 -16.8 86 91 A K - 0 0 97 147,-0.1 148,-2.3 -7,-0.1 2,-0.4 -0.355 29.3-148.9 -65.2 140.8 -16.3 43.5 -15.4 87 92 A L E -C 233 0B 6 146,-0.2 2,-0.4 -18,-0.1 146,-0.2 -0.906 11.4-157.3-108.4 140.1 -15.9 39.9 -13.9 88 93 A V E -C 232 0B 11 144,-2.7 144,-2.0 -2,-0.4 2,-0.5 -0.947 13.7-126.6-119.7 143.5 -13.3 39.4 -11.1 89 94 A A E -C 231 0B 0 -2,-0.4 -24,-2.4 142,-0.2 2,-0.3 -0.747 20.9-149.3 -88.1 129.7 -11.6 36.1 -10.0 90 95 A L B -D 64 0C 4 140,-1.6 -26,-0.2 -2,-0.5 -27,-0.1 -0.708 28.4 -99.7 -93.6 142.6 -11.9 35.1 -6.3 91 96 A K - 0 0 94 -28,-2.7 2,-0.3 -2,-0.3 -1,-0.1 -0.264 43.3-171.9 -54.8 145.7 -9.2 33.1 -4.6 92 97 A T - 0 0 14 137,-0.1 2,-0.3 -3,-0.0 6,-0.1 -0.986 30.0 -99.9-146.2 140.1 -9.9 29.4 -4.3 93 98 A N - 0 0 81 -2,-0.3 2,-1.3 1,-0.1 3,-0.2 -0.510 25.8-145.8 -64.5 128.8 -8.0 26.6 -2.5 94 99 A G + 0 0 49 -2,-0.3 -1,-0.1 1,-0.2 72,-0.1 -0.519 58.4 122.1 -96.1 68.8 -5.8 24.6 -4.8 95 100 A D S S- 0 0 33 -2,-1.3 72,-1.9 70,-0.1 71,-0.6 0.306 91.1 -91.9-113.5 6.8 -6.3 21.2 -3.1 96 101 A G S S+ 0 0 2 -3,-0.2 3,-0.2 70,-0.2 74,-0.2 0.148 119.5 78.3 99.9 -19.0 -7.6 19.2 -6.0 97 102 A N >> + 0 0 0 1,-0.1 4,-2.1 -4,-0.1 3,-0.5 0.150 57.4 116.2-103.2 17.3 -11.2 20.0 -5.1 98 103 A X H 3> + 0 0 10 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.735 64.4 62.5 -66.7 -23.7 -11.1 23.4 -6.6 99 104 A L H 3> S+ 0 0 3 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.964 112.0 41.8 -60.1 -44.1 -13.7 22.9 -9.4 100 105 A M H <> S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 -2,-0.2 0.909 114.0 50.4 -68.9 -43.3 -16.0 22.3 -6.5 101 106 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.906 113.1 46.0 -59.6 -45.0 -14.7 25.2 -4.4 102 107 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.926 116.3 45.3 -65.6 -46.0 -15.0 27.7 -7.4 103 108 A T H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 5,-0.2 0.952 113.1 49.7 -61.8 -50.3 -18.5 26.4 -8.2 104 109 A S H X S+ 0 0 4 -4,-3.0 4,-3.1 1,-0.2 6,-0.5 0.914 112.3 49.3 -53.7 -45.7 -19.6 26.5 -4.6 105 110 A Q H X S+ 0 0 5 -4,-2.4 4,-2.0 3,-0.2 -1,-0.2 0.860 102.4 59.2 -64.2 -38.9 -18.3 30.0 -4.2 106 111 A Y H < S+ 0 0 0 -4,-1.9 -63,-2.7 1,-0.2 -1,-0.2 0.870 121.4 26.9 -60.1 -37.4 -20.0 31.4 -7.3 107 112 A M H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.898 139.4 18.6 -88.4 -45.1 -23.4 30.5 -5.9 108 113 A W H < S- 0 0 3 -4,-3.1 204,-0.3 2,-0.3 -3,-0.2 0.407 87.9-122.7-120.5 -3.2 -22.9 30.5 -2.2 109 114 A S S < S+ 0 0 2 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.2 0.516 83.7 93.3 65.8 8.0 -19.8 32.6 -1.3 110 115 A V S S- 0 0 5 -6,-0.5 -2,-0.3 -9,-0.1 -1,-0.2 -0.903 74.3-118.3-122.1 159.3 -18.2 29.5 0.5 111 116 A Q - 0 0 31 -2,-0.3 2,-1.0 -7,-0.1 3,-0.3 -0.347 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