==== 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 3ZJE . 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 . 653 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 0 3 2 0 9 2 2 1 1 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 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 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 5 A V 0 0 113 0, 0.0 3,-0.1 0, 0.0 328,-0.0 0.000 360.0 360.0 360.0-103.0 -6.5 42.0 9.8 2 6 A L - 0 0 11 1,-0.2 320,-0.0 2,-0.1 324,-0.0 -0.067 360.0 -59.1 -60.0 177.2 -9.8 40.7 8.2 3 7 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.330 50.2-125.2 -61.8 157.3 -10.1 36.9 8.3 4 8 A Q S S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.606 89.7 5.1 -81.6 -9.5 -7.2 35.3 6.4 5 9 A A S > S- 0 0 30 1,-0.1 3,-1.8 59,-0.0 -1,-0.2 -0.945 85.6 -96.9-170.4 154.4 -9.7 33.5 4.2 6 10 A L G > S+ 0 0 19 57,-0.4 3,-2.1 1,-0.3 4,-0.2 0.780 109.3 61.2 -49.9 -48.3 -13.5 33.3 3.6 7 11 A Y G > S+ 0 0 110 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.705 92.2 68.8 -61.2 -18.8 -14.5 30.3 5.7 8 12 A L G < S+ 0 0 40 -3,-1.8 337,-0.5 1,-0.2 3,-0.4 0.544 77.9 82.9 -75.1 -1.3 -13.3 31.9 8.9 9 13 A S G < S- 0 0 0 -3,-2.1 337,-1.9 1,-0.3 -1,-0.2 0.804 115.0 -3.8 -80.9 -27.9 -16.0 34.6 8.9 10 14 A N <> + 0 0 10 -3,-0.7 4,-2.3 -4,-0.2 -1,-0.3 -0.500 65.7 175.0-161.7 82.5 -18.8 32.5 10.5 11 15 A M H > S+ 0 0 22 331,-0.5 4,-2.2 -3,-0.4 333,-0.2 0.865 83.5 54.1 -65.1 -38.2 -17.8 28.9 11.1 12 16 A R H > S+ 0 0 59 331,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.954 108.9 49.2 -60.6 -47.4 -21.0 28.0 12.9 13 17 A K H > S+ 0 0 23 330,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.923 108.3 53.9 -56.9 -46.6 -23.0 29.3 9.8 14 18 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.909 108.3 49.7 -54.1 -44.8 -20.8 27.2 7.4 15 19 A V H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.884 108.9 52.1 -61.6 -39.1 -21.6 24.1 9.4 16 20 A K H X S+ 0 0 68 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.945 111.6 47.0 -63.5 -45.7 -25.2 24.9 9.3 17 21 A I H >X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 3,-0.8 0.977 113.8 46.7 -60.8 -57.0 -25.0 25.2 5.5 18 22 A R H >< S+ 0 0 27 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.906 109.1 55.6 -48.4 -47.2 -23.0 22.0 5.1 19 23 A E H 3X S+ 0 0 90 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.820 105.2 53.8 -60.8 -28.9 -25.5 20.2 7.4 20 24 A R H 4 S+ 0 0 57 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.824 111.0 55.7 -66.5 -26.7 -27.1 16.0 2.5 23 27 A E H 3< S+ 0 0 154 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.607 100.9 59.2 -74.3 -14.5 -30.7 16.5 3.7 24 28 A D T << S+ 0 0 15 -3,-1.3 13,-3.0 -4,-0.7 2,-0.4 0.463 83.4 102.0 -89.7 -4.3 -31.6 18.3 0.4 25 29 A I E < -A 36 0A 37 -3,-0.9 2,-0.5 -4,-0.3 11,-0.2 -0.664 60.2-154.2 -84.7 131.2 -30.6 15.3 -1.7 26 30 A F E -A 35 0A 102 9,-3.4 9,-1.7 -2,-0.4 -2,-0.1 -0.931 2.8-159.7-105.4 131.4 -33.5 13.2 -3.0 27 31 A K - 0 0 71 -2,-0.5 7,-0.1 7,-0.2 6,-0.1 -0.893 12.2-154.0-114.2 103.0 -32.7 9.5 -3.7 28 32 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.267 12.7-151.5 -73.4 163.7 -35.2 8.0 -6.1 29 33 A T S S+ 0 0 150 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.412 86.2 73.9-111.0 -2.8 -36.0 4.3 -6.2 30 34 A N S S- 0 0 118 2,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.156 118.9 -96.2 -94.3 18.2 -37.0 4.1 -9.8 31 35 A G S S+ 0 0 66 1,-0.3 99,-0.2 -3,-0.1 2,-0.1 0.311 78.4 140.9 87.7 -11.4 -33.4 4.4 -11.0 32 36 A I - 0 0 81 1,-0.1 -1,-0.3 97,-0.0 -2,-0.1 -0.437 63.9 -96.2 -62.1 138.8 -33.4 8.2 -11.6 33 37 A I - 0 0 15 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.157 42.2-103.9 -55.9 144.1 -30.1 9.8 -10.4 34 38 A H + 0 0 30 87,-0.1 2,-0.3 -7,-0.1 -7,-0.2 -0.445 52.9 170.3 -69.0 153.5 -30.1 11.3 -6.9 35 39 A H E -A 26 0A 19 -9,-1.7 -9,-3.4 -3,-0.1 2,-0.3 -0.972 36.8 -83.1-162.2 165.0 -30.3 15.1 -7.1 36 40 A F E -A 25 0A 0 150,-1.4 -11,-0.2 -2,-0.3 -15,-0.0 -0.605 25.7-154.9 -84.5 137.0 -30.8 18.2 -5.0 37 41 A K S S- 0 0 96 -13,-3.0 -1,-0.1 -2,-0.3 -12,-0.1 0.860 80.0 -20.2 -75.6 -39.6 -34.3 19.3 -4.3 38 42 A T S > S+ 0 0 65 -14,-0.3 3,-1.7 2,-0.0 4,-0.1 0.593 115.4 78.0-141.8 -35.8 -33.8 23.0 -3.8 39 43 A M G > S+ 0 0 7 1,-0.3 3,-1.7 2,-0.2 -18,-0.0 0.698 80.3 73.9 -69.3 -14.9 -30.2 24.1 -3.0 40 44 A H G 3 S+ 0 0 0 1,-0.3 -1,-0.3 147,-0.0 147,-0.0 0.693 86.8 67.4 -72.2 -13.9 -28.9 23.8 -6.5 41 45 A R G < S+ 0 0 106 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.483 79.0 102.2 -83.9 -1.6 -30.8 27.0 -7.3 42 46 A Y < - 0 0 52 -3,-1.7 2,-0.3 -4,-0.1 268,-0.1 -0.568 48.7-171.5 -85.2 148.4 -28.6 29.2 -5.1 43 47 A T - 0 0 0 -2,-0.2 268,-2.0 266,-0.1 269,-1.2 -0.998 13.2-140.2-142.0 137.1 -25.9 31.5 -6.5 44 48 A L - 0 0 0 63,-2.4 195,-0.5 -2,-0.3 2,-0.4 -0.699 11.1-163.7 -90.4 143.4 -23.2 33.6 -4.8 45 49 A E E -b 239 0B 7 -2,-0.3 2,-0.2 193,-0.1 195,-0.2 -0.978 18.4-129.0-119.6 144.5 -22.1 37.1 -5.8 46 50 A M E -b 240 0B 5 193,-2.4 195,-2.4 -2,-0.4 2,-0.2 -0.636 26.5-115.9 -88.0 148.5 -18.9 38.8 -4.7 47 51 A F - 0 0 18 -2,-0.2 2,-0.1 193,-0.2 -1,-0.1 -0.495 29.7-100.4 -82.6 154.8 -18.9 42.2 -3.2 48 52 A R - 0 0 95 -2,-0.2 -1,-0.1 1,-0.1 194,-0.1 -0.421 27.1-174.7 -72.0 145.7 -17.3 45.3 -4.6 49 53 A T > + 0 0 3 -2,-0.1 3,-3.1 1,-0.1 -1,-0.1 0.573 60.2 98.8-118.2 -18.9 -14.0 46.5 -3.3 50 54 A C T 3 S+ 0 0 88 1,-0.3 -1,-0.1 7,-0.0 7,-0.0 0.652 74.2 66.8 -49.9 -19.8 -13.6 49.8 -5.2 51 55 A Q T 3 S+ 0 0 80 2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.537 94.3 74.6 -81.7 -5.1 -14.9 51.7 -2.2 52 56 A F S < S- 0 0 17 -3,-3.1 -3,-0.1 1,-0.0 278,-0.0 -0.497 84.1-102.9-106.0 173.9 -11.7 50.8 -0.2 53 57 A C >> - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 3,-2.0 -0.711 37.8-102.6-103.6 149.6 -8.1 52.0 -0.2 54 58 A P H 3> S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.715 120.0 51.6 -45.6 -41.6 -5.1 50.0 -1.7 55 59 A Q H 3> S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.898 119.2 39.5 -60.1 -37.6 -3.7 48.6 1.6 56 60 A F H <> S+ 0 0 23 -3,-2.0 4,-2.5 2,-0.2 5,-0.2 0.947 113.7 51.4 -78.3 -52.8 -7.3 47.4 2.4 57 61 A R H X S+ 0 0 105 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.876 109.5 55.3 -42.2 -45.9 -8.1 46.2 -1.1 58 62 A E H X S+ 0 0 94 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.915 107.3 45.8 -61.9 -46.2 -4.9 44.3 -1.0 59 63 A I H X S+ 0 0 56 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.882 115.1 47.5 -69.5 -35.0 -5.7 42.4 2.2 60 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.933 115.4 46.2 -67.9 -44.5 -9.3 41.6 1.0 61 65 A H H X S+ 0 0 46 -4,-3.2 4,-1.7 -5,-0.2 -2,-0.2 0.898 112.5 48.7 -66.5 -36.3 -7.9 40.5 -2.4 62 66 A K H < S+ 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.846 114.6 49.1 -71.5 -28.4 -5.1 38.4 -0.8 63 67 A A H < S+ 0 0 8 -4,-1.5 -57,-0.4 -5,-0.2 -2,-0.2 0.917 128.4 12.9 -74.5 -41.6 -7.6 36.9 1.5 64 68 A L H < S+ 0 0 7 -4,-2.5 28,-2.3 -59,-0.2 2,-0.4 0.747 105.3 79.0-111.7 -29.2 -10.3 35.9 -1.0 65 69 A I B < -D 91 0C 13 -4,-1.7 2,-1.7 -5,-0.4 26,-0.3 -0.740 61.6-142.1-100.0 133.5 -9.1 36.0 -4.6 66 70 A D > + 0 0 25 24,-2.1 4,-1.9 -2,-0.4 24,-0.2 -0.696 28.7 176.2 -83.7 87.2 -7.0 33.5 -6.5 67 71 A R H > S+ 0 0 103 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.740 70.3 61.6 -66.9 -24.9 -5.1 36.3 -8.4 68 72 A N H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 110.5 36.6 -67.0 -48.5 -2.8 33.8 -10.1 69 73 A I H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.869 115.7 56.9 -70.8 -32.5 -5.6 32.0 -12.0 70 74 A Q H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.967 110.5 43.6 -64.8 -44.6 -7.4 35.3 -12.5 71 75 A A H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.885 112.8 51.9 -67.8 -40.9 -4.3 36.7 -14.2 72 76 A T H X S+ 0 0 43 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.927 113.6 43.0 -59.8 -48.7 -3.6 33.6 -16.3 73 77 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 6,-1.3 0.874 116.1 47.2 -72.7 -34.6 -7.1 33.5 -17.7 74 78 A E H ><5S+ 0 0 66 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.901 106.5 57.9 -68.7 -40.8 -7.4 37.2 -18.3 75 79 A S H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.701 105.7 51.0 -65.4 -18.0 -4.0 37.4 -20.0 76 80 A Q T 3<5S- 0 0 47 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.285 115.2-115.5 -95.0 6.5 -5.2 34.8 -22.6 77 81 A K T < 5S+ 0 0 115 -3,-2.1 178,-0.5 2,-0.2 -3,-0.2 0.805 88.1 113.9 62.3 29.9 -8.4 36.7 -23.3 78 82 A K < + 0 0 22 -5,-2.3 2,-0.4 1,-0.2 -4,-0.2 0.662 69.7 45.1 -98.0 -28.3 -10.5 33.8 -21.9 79 83 A L S S- 0 0 3 -6,-1.3 -1,-0.2 1,-0.2 -2,-0.2 -0.973 123.3 -3.4-122.4 132.0 -11.9 35.6 -18.9 80 84 A N S S+ 0 0 46 -2,-0.4 -1,-0.2 6,-0.1 -2,-0.1 0.877 82.4 134.4 62.9 39.6 -13.4 39.1 -18.7 81 85 A W + 0 0 23 -3,-0.1 2,-0.6 -4,-0.1 -1,-0.1 0.580 44.6 85.7 -97.5 -18.4 -12.7 39.9 -22.4 82 86 A C > - 0 0 8 1,-0.1 3,-1.0 4,-0.1 209,-0.1 -0.816 60.9-157.2 -92.6 124.0 -16.1 41.4 -23.3 83 87 A R T 3 S+ 0 0 184 -2,-0.6 -1,-0.1 1,-0.3 208,-0.1 0.767 92.5 60.3 -64.9 -26.3 -16.6 45.0 -22.6 84 88 A E T 3 S+ 0 0 42 206,-0.2 163,-2.2 162,-0.1 -1,-0.3 0.756 95.5 75.8 -72.5 -23.5 -20.4 44.4 -22.5 85 89 A V B < S-e 247 0D 17 -3,-1.0 163,-0.2 161,-0.2 161,-0.1 -0.614 83.3-103.2-106.7 150.5 -20.3 42.0 -19.6 86 90 A R - 0 0 22 161,-2.5 163,-0.2 -2,-0.2 -6,-0.1 -0.347 47.3-100.9 -60.1 144.1 -19.9 42.1 -15.8 87 91 A K - 0 0 103 153,-0.1 153,-2.4 152,-0.1 2,-0.3 -0.295 30.9-151.4 -67.9 143.5 -16.5 41.1 -14.4 88 92 A L E -C 239 0B 5 151,-0.2 2,-0.4 2,-0.0 151,-0.2 -0.885 9.8-154.0-108.5 151.1 -16.2 37.6 -12.8 89 93 A V E -C 238 0B 11 149,-2.6 149,-2.3 -2,-0.3 2,-0.5 -0.964 13.5-125.5-130.9 142.2 -13.6 37.0 -10.1 90 94 A A E -C 237 0B 0 -2,-0.4 -24,-2.1 147,-0.2 2,-0.3 -0.727 22.2-151.0 -88.3 126.2 -11.8 33.7 -9.0 91 95 A L B -D 65 0C 4 145,-1.9 -26,-0.2 -2,-0.5 -27,-0.1 -0.747 29.1-100.7 -94.8 143.5 -12.2 32.7 -5.3 92 96 A K - 0 0 96 -28,-2.3 2,-0.3 -2,-0.3 -1,-0.1 -0.339 42.1-167.7 -61.5 143.0 -9.4 30.7 -3.7 93 97 A T - 0 0 13 142,-0.1 2,-0.1 -3,-0.0 6,-0.1 -0.983 28.6-100.6-136.8 140.5 -10.1 27.0 -3.4 94 98 A N - 0 0 75 -2,-0.3 2,-1.0 1,-0.1 3,-0.2 -0.429 28.4-143.4 -60.6 133.3 -8.4 24.2 -1.4 95 99 A G + 0 0 49 1,-0.2 75,-0.3 -2,-0.1 -1,-0.1 -0.514 59.4 120.5-100.0 69.0 -6.1 22.2 -3.7 96 100 A D S S- 0 0 32 -2,-1.0 76,-1.7 73,-0.2 75,-0.4 0.271 91.8 -91.8-115.2 9.7 -6.5 18.8 -2.2 97 101 A G S S+ 0 0 1 -3,-0.2 3,-0.2 74,-0.2 78,-0.2 0.238 119.5 80.3 94.2 -9.2 -7.9 16.9 -5.3 98 102 A N >> + 0 0 0 1,-0.1 4,-2.2 -4,-0.1 3,-0.6 0.121 55.3 114.0-106.2 19.7 -11.4 17.6 -4.3 99 103 A X H 3> + 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.763 64.7 65.3 -69.1 -22.5 -11.3 21.1 -5.8 100 104 A L H 3> S+ 0 0 3 -3,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.963 112.2 38.0 -57.7 -44.3 -13.9 20.4 -8.5 101 105 A M H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.884 114.5 53.3 -74.6 -38.8 -16.3 19.9 -5.7 102 106 A H H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.4 45.3 -62.1 -39.8 -15.0 22.8 -3.5 103 107 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 115.4 46.6 -72.5 -40.7 -15.3 25.3 -6.4 104 108 A T H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 5,-0.2 0.935 113.6 48.7 -64.8 -47.9 -18.8 24.1 -7.3 105 109 A S H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 6,-0.7 0.885 111.6 49.6 -59.6 -41.5 -19.9 24.1 -3.7 106 110 A Q H X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.913 104.8 58.2 -66.5 -39.1 -18.5 27.7 -3.2 107 111 A Y H < S+ 0 0 0 -4,-2.1 -63,-2.4 1,-0.2 -1,-0.2 0.891 120.4 27.5 -57.6 -39.5 -20.2 29.0 -6.3 108 112 A M H < S+ 0 0 0 -4,-1.5 -1,-0.2 -65,-0.2 -2,-0.2 0.865 139.7 15.8 -87.3 -42.3 -23.7 28.0 -5.0 109 113 A W H < S- 0 0 4 -4,-2.7 209,-0.3 2,-0.3 -3,-0.2 0.439 88.7-120.3-126.6 -2.9 -23.3 28.1 -1.2 110 114 A S S < S+ 0 0 2 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.511 84.0 94.9 71.6 8.2 -20.1 30.0 -0.3 111 115 A V S S- 0 0 2 -6,-0.7 -2,-0.3 -97,-0.1 -1,-0.2 -0.893 73.3-120.1-123.6 156.1 -18.6 27.0 1.5 112 116 A Q - 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