==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-99 1QE3 . COMPND 2 MOLECULE: PARA-NITROBENZYL ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.SPILLER,A.GERSHENSON,F.ARNOLD,R.STEVENS . 467 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 3 0 1 0 1 3 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 T 0 0 162 0, 0.0 15,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.4 19.1 38.3 21.8 2 3 A H - 0 0 130 2,-0.1 12,-0.1 13,-0.0 14,-0.0 0.383 360.0-124.5 -83.0 7.1 16.2 40.9 21.3 3 4 A Q + 0 0 31 1,-0.2 11,-2.0 10,-0.1 2,-0.6 0.790 48.9 159.6 58.6 41.0 14.1 38.9 23.8 4 5 A I E -A 13 0A 65 9,-0.2 2,-0.4 7,-0.1 9,-0.2 -0.834 17.8-176.1 -90.8 125.6 10.9 38.0 21.9 5 6 A V E -A 12 0A 13 7,-2.9 7,-2.4 -2,-0.6 2,-0.7 -0.982 22.8-132.6-126.3 136.6 9.3 35.1 23.6 6 7 A T E -A 11 0A 82 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.790 23.2-170.3 -92.3 114.6 6.2 33.2 22.5 7 8 A T E > -A 10 0A 4 3,-2.1 3,-1.4 -2,-0.7 156,-0.1 -0.524 43.8 -96.4 -92.4 169.0 3.7 32.6 25.4 8 9 A Q T 3 S+ 0 0 80 1,-0.3 3,-0.1 -2,-0.2 38,-0.1 0.619 126.6 41.2 -62.5 -10.9 0.7 30.3 24.9 9 10 A Y T 3 S- 0 0 30 1,-0.4 38,-2.5 18,-0.1 -1,-0.3 0.427 127.8 -54.4-115.4 -3.2 -1.4 33.4 24.1 10 11 A G E < -A 7 0A 11 -3,-1.4 -3,-2.1 36,-0.2 -1,-0.4 -0.754 67.2 -52.5 147.0 167.5 1.0 35.4 22.0 11 12 A K E -Ab 6 50A 94 38,-0.6 40,-2.6 36,-0.3 2,-0.3 -0.423 41.3-172.4 -75.5 143.6 4.4 37.0 21.6 12 13 A V E -Ab 5 51A 0 -7,-2.4 -7,-2.9 38,-0.2 2,-0.5 -0.982 10.4-150.7-133.4 144.1 5.9 39.4 24.1 13 14 A K E +Ab 4 52A 77 38,-3.2 40,-1.5 -2,-0.3 -9,-0.2 -0.968 18.4 176.1-121.4 122.2 9.1 41.4 23.8 14 15 A G - 0 0 4 -11,-2.0 2,-0.3 -2,-0.5 9,-0.2 -0.052 20.4-119.6-101.1-154.3 11.2 42.3 26.9 15 16 A T E -C 22 0B 54 7,-2.3 7,-3.4 38,-0.2 2,-0.4 -0.924 10.3-124.2-146.1 169.1 14.5 44.1 27.3 16 17 A T E +C 21 0B 53 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.979 31.5 164.0-123.5 128.1 17.9 43.5 28.7 17 18 A E E > -C 20 0B 83 3,-2.4 3,-1.2 -2,-0.4 65,-0.1 -0.974 64.3 -11.3-148.9 131.7 19.6 45.7 31.3 18 19 A N T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.871 129.5 -48.7 50.2 44.6 22.5 45.3 33.7 19 20 A G T 3 S+ 0 0 39 1,-0.2 63,-2.7 62,-0.1 2,-0.4 0.635 117.5 105.4 75.8 16.8 22.8 41.6 32.9 20 21 A V E < -CD 17 81B 2 -3,-1.2 -3,-2.4 61,-0.3 2,-0.4 -0.992 61.0-141.5-133.7 129.2 19.1 40.8 33.4 21 22 A H E -CD 16 80B 22 59,-3.6 59,-2.6 -2,-0.4 2,-0.4 -0.728 28.3-165.5 -84.8 136.1 16.4 40.1 30.8 22 23 A K E +CD 15 79B 16 -7,-3.4 -7,-2.3 -2,-0.4 2,-0.4 -0.984 21.6 179.6-133.5 135.7 13.1 41.6 31.8 23 24 A W E - D 0 78B 4 55,-2.2 55,-2.9 -2,-0.4 2,-0.4 -0.996 15.6-175.8-129.9 122.0 9.5 41.2 30.7 24 25 A K E +m 54 0C 33 29,-2.4 31,-0.7 -2,-0.4 53,-0.2 -0.935 57.6 20.5-123.0 144.6 6.9 43.3 32.5 25 26 A G E + 0 0 8 -2,-0.4 52,-0.2 1,-0.2 -1,-0.2 0.855 67.2 166.5 73.8 37.2 3.1 43.3 32.1 26 27 A I E - D 0 76B 0 50,-2.4 50,-2.5 -3,-0.2 -1,-0.2 -0.751 36.1-127.1 -85.6 122.7 2.5 39.9 30.6 27 28 A P E + D 0 75B 23 0, 0.0 48,-0.2 0, 0.0 -18,-0.1 -0.497 31.6 173.8 -69.8 135.1 -1.2 39.0 30.8 28 29 A Y + 0 0 6 46,-1.8 2,-0.3 1,-0.3 47,-0.1 0.414 66.2 20.4-119.4 -1.9 -1.9 35.7 32.4 29 30 A A S S- 0 0 3 45,-0.8 -1,-0.3 14,-0.2 45,-0.1 -0.981 91.1 -83.9-158.9 160.7 -5.7 35.9 32.5 30 31 A K - 0 0 37 12,-2.8 12,-0.3 -2,-0.3 -2,-0.0 -0.471 64.0 -90.2 -67.5 138.2 -8.6 37.7 30.9 31 32 A P - 0 0 42 0, 0.0 2,-2.6 0, 0.0 41,-0.2 -0.313 37.6-131.4 -52.4 121.7 -9.2 41.0 32.7 32 33 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.311 62.7 129.0 -75.6 60.3 -11.6 40.1 35.5 33 34 A V > - 0 0 73 -2,-2.6 3,-2.3 4,-0.1 2,-0.1 -0.742 60.4 -9.5-114.1 161.0 -13.9 43.0 34.7 34 35 A G G > S+ 0 0 22 1,-0.3 3,-1.5 -2,-0.3 207,-0.1 -0.322 137.2 5.6 58.8-123.0 -17.7 43.2 34.0 35 36 A Q G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -2,-0.1 205,-0.1 0.645 130.9 60.9 -67.7 -14.7 -19.2 39.8 33.8 36 37 A W G X S+ 0 0 76 -3,-2.3 3,-1.5 -5,-0.2 -1,-0.3 0.492 77.5 110.4 -91.3 -3.5 -15.9 38.3 34.7 37 38 A R T < S+ 0 0 11 -3,-1.5 -4,-0.1 1,-0.3 3,-0.1 -0.463 85.7 15.3 -68.2 142.5 -15.9 40.0 38.0 38 39 A F T 3 S+ 0 0 1 94,-0.4 107,-1.6 1,-0.2 2,-0.3 0.603 107.5 109.0 66.7 14.4 -16.4 37.5 40.9 39 40 A K S < S- 0 0 52 -3,-1.5 -1,-0.2 105,-0.2 105,-0.1 -0.874 79.6 -87.5-121.0 154.0 -15.6 34.6 38.6 40 41 A A - 0 0 32 -2,-0.3 -1,-0.1 1,-0.1 108,-0.1 -0.152 60.9 -83.5 -53.8 149.7 -12.6 32.3 38.4 41 42 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.315 48.4-159.4 -61.2 137.1 -9.7 33.5 36.2 42 43 A E - 0 0 80 -12,-0.3 -12,-2.8 -3,-0.1 -14,-0.0 -0.746 29.0 -88.0-113.8 161.1 -10.1 32.7 32.5 43 44 A P - 0 0 66 0, 0.0 -14,-0.2 0, 0.0 -1,-0.1 -0.408 48.3-114.9 -67.1 143.6 -7.4 32.6 29.8 44 45 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -14,-0.1 -0.391 38.2 -90.6 -75.8 160.6 -6.8 35.9 28.1 45 46 A E - 0 0 143 -16,-0.1 -36,-0.1 1,-0.1 -16,-0.0 -0.486 49.3-109.3 -69.1 139.8 -7.7 36.4 24.5 46 47 A V - 0 0 88 -2,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.321 30.0-151.2 -69.4 152.7 -4.8 35.5 22.2 47 48 A W - 0 0 44 -38,-2.5 -36,-0.3 2,-0.1 4,-0.1 -0.946 11.5-155.7-125.7 148.8 -3.0 38.3 20.3 48 49 A E S S+ 0 0 169 -2,-0.3 -1,-0.1 -38,-0.1 -38,-0.1 0.599 72.0 65.8 -98.6 -15.4 -1.2 38.1 17.0 49 50 A D S S- 0 0 103 -38,-0.1 2,-0.6 1,-0.0 -38,-0.6 -0.118 94.9 -83.9 -93.5-166.3 1.3 40.9 17.3 50 51 A V E -b 11 0A 60 -40,-0.1 2,-0.4 -2,-0.1 -38,-0.2 -0.912 37.6-139.9-109.0 115.2 4.3 41.5 19.6 51 52 A L E -b 12 0A 54 -40,-2.6 -38,-3.2 -2,-0.6 2,-1.6 -0.584 13.8-130.8 -75.3 125.5 3.4 42.9 23.0 52 53 A D E -b 13 0A 98 -2,-0.4 2,-1.5 -40,-0.2 3,-0.4 -0.608 27.9-173.5 -76.5 91.2 5.9 45.5 24.2 53 54 A A + 0 0 1 -2,-1.6 -29,-2.4 -40,-1.5 -38,-0.2 -0.434 49.0 106.8 -88.2 63.2 6.4 44.0 27.7 54 55 A T B +m 24 0C 60 -2,-1.5 2,-0.4 -31,-0.2 -1,-0.2 0.235 67.9 61.5-122.4 11.7 8.6 46.7 29.2 55 56 A A S S- 0 0 66 -31,-0.7 -1,-0.1 -3,-0.4 -31,-0.0 -1.000 83.5-109.4-142.2 138.7 6.1 48.3 31.5 56 57 A Y - 0 0 73 -2,-0.4 3,-0.1 1,-0.1 -32,-0.1 -0.288 33.9-123.5 -63.3 146.2 4.2 47.0 34.5 57 58 A G - 0 0 16 1,-0.2 16,-0.1 16,-0.1 -1,-0.1 -0.250 44.9 -70.0 -80.9 176.8 0.5 46.5 34.2 58 59 A P - 0 0 14 0, 0.0 11,-0.2 0, 0.0 2,-0.2 -0.262 49.9-125.6 -64.7 156.4 -2.1 48.2 36.5 59 60 A I B -n 69 0D 12 9,-2.5 11,-2.5 1,-0.1 13,-0.1 -0.652 37.3 -83.1 -99.6 161.3 -2.3 47.0 40.1 60 61 A C - 0 0 2 42,-0.3 11,-0.2 -2,-0.2 42,-0.1 -0.385 57.4 -92.7 -65.4 138.0 -5.5 45.9 41.7 61 62 A P + 0 0 8 0, 0.0 71,-0.2 0, 0.0 68,-0.2 -0.228 64.6 151.8 -51.5 134.6 -7.6 48.7 43.1 62 63 A Q - 0 0 23 -3,-0.1 39,-0.1 68,-0.1 185,-0.1 -0.988 49.8 -74.8-162.8 159.2 -6.8 49.4 46.7 63 64 A P 0 0 40 0, 0.0 37,-0.0 0, 0.0 184,-0.0 -0.287 360.0 360.0 -59.7 144.4 -6.7 52.1 49.4 64 65 A S 0 0 153 37,-0.1 37,-0.0 2,-0.0 -2,-0.0 -0.604 360.0 360.0-119.1 360.0 -3.9 54.6 49.0 65 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 66 75 A L 0 0 201 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -21.1 1.4 56.6 42.1 67 76 A P - 0 0 65 0, 0.0 2,-0.0 0, 0.0 -8,-0.0 -0.328 360.0 -97.7 -65.1 146.9 1.1 53.4 40.1 68 77 A R - 0 0 173 1,-0.0 -9,-2.5 -11,-0.0 2,-0.4 -0.321 36.8-148.4 -65.3 144.1 -2.1 53.1 38.0 69 78 A Q B +n 59 0D 72 -11,-0.2 2,-0.3 -3,-0.1 -9,-0.2 -0.895 28.2 144.2-116.4 145.2 -4.9 51.0 39.4 70 79 A S - 0 0 31 -11,-2.5 -13,-0.0 -2,-0.4 -2,-0.0 -0.914 57.4-118.9-173.4 146.8 -7.5 48.9 37.6 71 80 A E S S+ 0 0 20 -2,-0.3 2,-1.9 1,-0.2 3,-0.3 0.759 106.4 82.8 -61.9 -21.9 -9.4 45.7 37.9 72 81 A D + 0 0 46 1,-0.2 -1,-0.2 -41,-0.2 -42,-0.0 -0.644 60.7 118.8 -81.1 82.6 -7.5 44.8 34.8 73 82 A C + 0 0 0 -2,-1.9 2,-1.8 -16,-0.1 -13,-0.2 0.310 18.7 122.0-134.4 6.4 -4.5 43.8 36.9 74 83 A L + 0 0 2 -3,-0.3 -46,-1.8 -45,-0.1 -45,-0.8 -0.524 41.8 134.2 -82.4 84.6 -3.8 40.1 36.2 75 84 A Y E -D 27 0B 34 -2,-1.8 51,-1.6 -48,-0.2 2,-0.3 -0.943 40.4-151.9-131.8 150.9 -0.2 40.4 35.0 76 85 A V E -DE 26 125B 0 -50,-2.5 -50,-2.4 -2,-0.3 2,-0.4 -0.849 8.7-152.3-117.3 155.9 3.1 38.5 35.6 77 86 A N E - E 0 124B 2 47,-2.6 47,-2.1 -2,-0.3 2,-0.4 -0.981 8.0-152.8-129.3 140.9 6.6 39.9 35.3 78 87 A V E -DE 23 123B 1 -55,-2.9 -55,-2.2 -2,-0.4 2,-0.5 -0.961 10.3-174.3-123.2 131.1 9.7 37.9 34.5 79 88 A F E +DE 22 122B 0 43,-2.7 43,-2.8 -2,-0.4 -57,-0.2 -0.988 14.1 172.2-121.3 122.2 13.4 38.5 35.5 80 89 A A E -D 21 0B 3 -59,-2.6 -59,-3.6 -2,-0.5 41,-0.2 -0.984 33.8-110.8-132.8 142.3 16.0 36.2 34.1 81 90 A P E -D 20 0B 9 0, 0.0 2,-1.7 0, 0.0 -61,-0.3 -0.451 27.7-122.3 -71.1 141.5 19.8 36.4 34.2 82 91 A D + 0 0 87 -63,-2.7 -62,-0.1 -2,-0.1 -66,-0.0 -0.622 69.4 120.6 -85.0 83.0 21.6 37.1 30.9 83 92 A T S S- 0 0 57 -2,-1.7 33,-0.0 2,-0.2 -64,-0.0 -0.951 75.4-115.7-142.3 156.3 23.7 33.9 30.9 84 93 A P S S+ 0 0 125 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.652 79.7 116.1 -68.8 -13.3 24.1 30.9 28.5 85 94 A S - 0 0 53 1,-0.1 -2,-0.2 2,-0.0 3,-0.2 -0.340 50.3-162.2 -61.4 131.7 22.8 28.7 31.3 86 95 A Q + 0 0 143 1,-0.2 83,-0.1 -2,-0.1 84,-0.1 -0.594 58.0 34.1-111.0 172.4 19.4 27.0 30.5 87 96 A N S S- 0 0 91 82,-0.2 82,-0.3 -2,-0.2 -1,-0.2 0.922 79.6-172.1 48.2 57.8 16.6 25.3 32.4 88 97 A L E -f 169 0B 14 80,-2.4 82,-3.0 -3,-0.2 85,-0.2 -0.408 29.4 -98.0 -82.8 152.3 17.0 27.5 35.4 89 98 A P E - 0 0 19 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.374 41.3-141.1 -63.1 149.4 15.3 27.2 38.8 90 99 A V E -fg 174 121B 0 83,-2.3 85,-3.2 80,-0.3 2,-0.6 -0.969 12.8-163.3-121.0 128.8 12.2 29.5 39.0 91 100 A M E -fg 175 122B 0 30,-3.3 32,-2.7 -2,-0.4 2,-0.6 -0.947 7.6-161.4-113.7 118.0 11.2 31.5 42.0 92 101 A V E -fg 176 123B 0 83,-2.9 85,-2.9 -2,-0.6 2,-0.4 -0.878 9.1-148.0-105.4 119.2 7.6 32.8 42.0 93 102 A W E -fg 177 124B 0 30,-3.1 2,-0.6 -2,-0.6 32,-0.5 -0.691 12.2-170.0 -92.7 131.5 6.7 35.7 44.4 94 103 A I E -f 178 0B 1 83,-2.3 85,-0.9 -2,-0.4 92,-0.1 -0.946 23.2-141.3-119.1 108.1 3.4 36.2 46.1 95 104 A H - 0 0 0 -2,-0.6 9,-0.1 30,-0.4 2,-0.1 -0.207 8.6-136.5 -68.7 157.5 3.2 39.6 47.8 96 105 A G + 0 0 4 85,-0.2 84,-0.2 7,-0.1 7,-0.1 -0.198 40.7 139.7 -98.6-167.0 1.6 40.3 51.1 97 106 A G S >> S- 0 0 21 5,-0.1 3,-2.2 -2,-0.1 4,-1.8 0.577 83.2 -78.6 132.2 35.3 -0.6 43.1 52.3 98 107 A A T 34 S- 0 0 30 1,-0.3 168,-0.4 2,-0.2 4,-0.1 0.710 83.7 -71.9 51.4 25.9 -3.4 41.7 54.4 99 108 A F T 34 S+ 0 0 0 2,-0.3 31,-2.8 1,-0.1 -1,-0.3 0.563 134.3 63.0 69.8 11.6 -5.3 40.6 51.3 100 109 A Y T <4 S+ 0 0 52 -3,-2.2 2,-0.3 29,-0.3 -2,-0.2 0.376 95.3 55.8-140.3 -1.0 -6.3 44.1 50.2 101 110 A L S < S+ 0 0 56 -4,-1.8 -2,-0.3 -39,-0.1 -1,-0.1 -0.901 74.2 44.3-132.2 159.9 -3.0 45.9 49.6 102 111 A G - 0 0 8 -2,-0.3 -42,-0.3 -42,-0.1 2,-0.3 -0.292 46.1-134.8 105.2 173.2 0.1 45.4 47.5 103 112 A A > - 0 0 2 -7,-0.1 3,-1.2 -44,-0.1 23,-0.2 -0.947 25.2-122.5-167.4 150.4 1.3 44.4 44.0 104 113 A G T 3 S+ 0 0 1 -2,-0.3 22,-0.1 1,-0.3 -11,-0.1 0.710 110.9 63.3 -72.6 -16.4 4.0 42.2 42.6 105 114 A S T 3 + 0 0 17 -48,-0.1 -1,-0.3 19,-0.1 -49,-0.1 0.274 70.0 127.3 -91.4 9.5 5.4 45.3 40.8 106 115 A E S X S- 0 0 66 -3,-1.2 3,-1.7 1,-0.1 4,-0.1 -0.411 72.3-116.1 -64.9 145.2 6.3 47.2 44.0 107 116 A P G > S+ 0 0 115 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.828 112.5 64.9 -50.7 -37.5 9.9 48.3 43.9 108 117 A L G 3 S+ 0 0 50 1,-0.3 292,-0.3 293,-0.0 290,-0.1 0.809 102.7 49.5 -58.0 -29.7 10.8 46.2 46.9 109 118 A Y G < S+ 0 0 14 -3,-1.7 -1,-0.3 -6,-0.1 2,-0.2 0.235 71.5 137.5 -97.3 13.3 10.0 43.1 44.8 110 119 A D < - 0 0 35 -3,-1.9 3,-0.4 1,-0.2 4,-0.3 -0.451 42.1-156.3 -59.4 123.1 12.1 44.0 41.7 111 120 A G > + 0 0 0 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.327 63.1 101.5 -90.5 11.1 13.7 40.6 40.9 112 121 A S H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 83.6 44.7 -60.0 -49.0 16.8 41.8 39.0 113 122 A K H > S+ 0 0 108 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.911 115.7 47.1 -64.5 -41.9 19.3 41.4 41.8 114 123 A L H > S+ 0 0 2 284,-0.4 4,-2.5 -4,-0.3 6,-0.3 0.915 112.9 50.2 -64.9 -43.1 18.0 38.0 42.9 115 124 A A H X>S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 5,-1.0 0.941 115.8 41.0 -60.9 -48.6 18.0 36.8 39.3 116 125 A A H <5S+ 0 0 52 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 118.7 44.4 -67.1 -47.1 21.5 38.0 38.5 117 126 A Q H <5S+ 0 0 111 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.909 125.0 31.5 -66.9 -43.5 23.1 36.9 41.8 118 127 A G H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.612 97.4-130.7 -92.0 -10.2 21.4 33.5 42.0 119 128 A E T <5 + 0 0 63 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.962 67.6 124.6 56.5 51.8 21.2 32.8 38.3 120 129 A V < - 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