==== 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 11-MAY-03 1P9E . COMPND 2 MOLECULE: METHYL PARATHION HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR Y.DONG,L.SUN,M.BARTLAM,Z.RAO,X.ZHANG . 588 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 18.5 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 8 0 0 4 0 0 2 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 0 2 4 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 4 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 36 A A 0 0 59 0, 0.0 365,-0.1 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 169.7 11.6 21.3 62.2 2 37 A A - 0 0 9 363,-0.2 363,-0.2 393,-0.0 2,-0.2 -0.984 360.0 -99.1-159.0 153.4 11.8 24.6 60.4 3 38 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 363,-0.0 -0.542 51.7 -98.8 -75.9 145.1 9.4 27.4 59.5 4 39 A Q - 0 0 37 -2,-0.2 311,-0.0 1,-0.2 360,-0.0 -0.447 27.7-158.4 -65.6 133.5 8.2 27.3 55.9 5 40 A V - 0 0 50 -2,-0.2 -1,-0.2 388,-0.1 3,-0.1 0.874 13.7-170.2 -79.7 -38.3 10.3 29.7 53.8 6 41 A R + 0 0 121 1,-0.2 2,-0.4 304,-0.1 -2,-0.1 0.881 36.7 123.8 45.8 52.9 7.7 30.0 51.0 7 42 A T - 0 0 62 582,-0.2 582,-0.2 386,-0.2 -1,-0.2 -0.995 57.7-123.7-136.8 141.5 9.7 31.9 48.4 8 43 A S - 0 0 14 580,-1.0 3,-0.1 -2,-0.4 300,-0.1 -0.359 38.0 -91.4 -78.3 162.4 10.4 30.8 44.9 9 44 A A - 0 0 20 298,-0.2 -1,-0.1 1,-0.2 384,-0.0 -0.370 64.1 -71.3 -69.2 157.4 14.0 30.4 43.6 10 45 A P - 0 0 40 0, 0.0 2,-2.0 0, 0.0 -1,-0.2 -0.188 55.5-114.1 -48.0 137.0 15.5 33.5 41.9 11 46 A G S S+ 0 0 1 15,-0.1 15,-3.1 79,-0.1 2,-0.3 -0.288 78.0 99.5 -80.6 58.9 13.7 33.9 38.6 12 47 A Y E -A 25 0A 24 -2,-2.0 2,-0.4 13,-0.2 13,-0.2 -0.993 48.4-161.2-141.1 148.1 16.4 33.3 36.1 13 48 A Y E -A 24 0A 38 11,-2.3 11,-2.5 -2,-0.3 2,-0.3 -0.987 13.6-144.7-132.8 123.3 17.5 30.3 34.0 14 49 A R E +A 23 0A 6 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.670 24.6 163.2 -90.8 138.0 20.9 29.9 32.4 15 50 A M E -A 22 0A 21 7,-2.5 7,-3.6 -2,-0.3 2,-0.4 -0.982 29.0-134.5-153.9 137.1 21.5 28.2 29.0 16 51 A L E -A 21 0A 72 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.742 14.7-171.4 -93.8 140.4 24.4 28.2 26.6 17 52 A L E > -A 20 0A 3 3,-2.8 3,-2.9 -2,-0.4 2,-0.2 -0.906 62.9 -61.3-131.9 103.2 23.8 28.7 22.9 18 53 A G T 3 S- 0 0 29 -2,-0.5 193,-0.1 1,-0.3 -1,-0.1 -0.404 120.1 -20.5 58.0-122.0 26.9 28.1 20.8 19 54 A D T 3 S+ 0 0 85 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.552 124.3 92.9 -91.4 -10.5 29.3 30.7 22.2 20 55 A F E < -A 17 0A 22 -3,-2.9 -3,-2.8 170,-0.1 2,-0.5 -0.421 67.9-136.9 -84.7 162.2 26.4 32.9 23.5 21 56 A E E -AB 16 68A 0 47,-1.5 47,-2.3 -5,-0.2 2,-0.3 -0.979 18.0-166.1-119.3 117.8 24.9 32.8 27.0 22 57 A I E -AB 15 67A 0 -7,-3.6 -7,-2.5 -2,-0.5 2,-0.4 -0.792 6.4-176.5-103.0 145.0 21.2 33.0 27.4 23 58 A T E -AB 14 66A 0 43,-2.0 43,-2.9 -2,-0.3 2,-0.4 -0.928 16.5-148.0-140.7 112.8 19.4 33.8 30.6 24 59 A A E -AB 13 65A 0 -11,-2.5 -11,-2.3 -2,-0.4 2,-0.5 -0.696 16.4-157.6 -79.1 137.5 15.6 33.7 30.8 25 60 A L E -AB 12 64A 0 39,-2.8 39,-2.5 -2,-0.4 2,-0.3 -0.984 6.2-142.1-120.9 121.9 14.5 36.3 33.3 26 61 A S E - B 0 63A 1 -15,-3.1 68,-0.3 -2,-0.5 37,-0.2 -0.617 12.9-167.3 -85.7 143.2 11.0 35.9 34.8 27 62 A D E - 0 0 1 35,-3.0 63,-1.4 1,-0.5 2,-0.3 0.408 56.9-103.4-102.7 -5.9 9.0 39.0 35.5 28 63 A G E - B 0 62A 0 34,-0.6 34,-2.0 60,-0.2 -1,-0.5 -0.845 42.5 -70.0 118.9-157.6 6.7 36.8 37.6 29 64 A T E - B 0 61A 11 58,-1.0 2,-0.3 -2,-0.3 32,-0.2 -0.959 32.0-169.0-138.2 155.8 3.2 35.3 36.9 30 65 A V E - B 0 60A 17 30,-2.0 30,-3.5 -2,-0.3 2,-0.5 -0.987 28.5-116.7-143.1 142.4 -0.3 36.7 36.5 31 66 A A E - B 0 59A 69 -2,-0.3 28,-0.3 28,-0.3 27,-0.1 -0.716 36.0-166.3 -85.0 126.4 -3.6 34.8 36.3 32 67 A L E - B 0 58A 30 26,-2.9 2,-2.0 -2,-0.5 26,-1.9 -0.909 28.5-120.7-120.1 143.4 -5.4 35.2 32.9 33 68 A P > + 0 0 57 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.489 37.2 173.7 -79.1 70.9 -8.9 34.5 31.7 34 69 A V H >> S+ 0 0 5 -2,-2.0 4,-1.6 22,-0.4 3,-0.7 0.848 70.0 57.6 -44.1 -52.1 -7.9 32.1 28.9 35 70 A D H 34 S+ 0 0 61 21,-0.3 5,-0.3 1,-0.2 3,-0.2 0.895 106.8 47.9 -49.9 -50.5 -11.5 31.0 28.0 36 71 A K H 34 S+ 0 0 182 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.708 113.3 46.3 -68.3 -24.2 -12.7 34.6 27.3 37 72 A R H << S+ 0 0 73 -4,-1.1 200,-2.5 -3,-0.7 201,-0.4 0.707 90.0 94.2 -95.0 -20.7 -9.8 35.5 25.1 38 73 A L B < S-G 236 0B 12 -4,-1.6 2,-1.7 -3,-0.2 198,-0.3 -0.513 72.4-132.8 -79.1 139.9 -9.5 32.5 22.8 39 74 A N S S+ 0 0 56 196,-3.4 196,-0.4 -2,-0.2 -1,-0.1 -0.569 80.9 77.3 -89.1 70.1 -11.2 32.4 19.4 40 75 A Q S S- 0 0 26 -2,-1.7 5,-0.1 -5,-0.3 -2,-0.1 -0.914 97.8 -63.7-167.7 156.4 -12.7 29.0 19.9 41 76 A P >> - 0 0 82 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.177 42.8-125.5 -51.7 133.6 -15.7 27.7 21.9 42 77 A A H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.911 111.6 54.8 -48.1 -49.0 -15.4 28.1 25.7 43 78 A P H 3> S+ 0 0 91 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.850 104.8 57.3 -55.3 -33.1 -16.0 24.3 26.2 44 79 A K H <> S+ 0 0 88 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.913 109.3 40.0 -67.7 -45.0 -13.1 23.7 23.9 45 80 A T H X S+ 0 0 0 -4,-1.6 4,-3.4 -3,-0.3 5,-0.2 0.867 111.3 59.3 -74.2 -29.4 -10.4 25.6 25.7 46 81 A Q H X S+ 0 0 134 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.835 110.6 43.5 -63.1 -30.7 -11.8 24.3 29.1 47 82 A S H X S+ 0 0 50 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.889 112.6 50.3 -79.6 -41.8 -11.1 20.8 27.7 48 83 A A H X S+ 0 0 16 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.935 111.7 50.4 -59.7 -47.5 -7.7 21.8 26.3 49 84 A L H ><>S+ 0 0 5 -4,-3.4 5,-3.1 1,-0.2 3,-1.2 0.930 108.3 51.2 -54.3 -52.5 -6.9 23.3 29.7 50 85 A A H ><5S+ 0 0 61 -4,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.818 105.1 55.6 -58.4 -35.2 -8.0 20.2 31.6 51 86 A K H 3<5S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.699 110.7 46.5 -71.6 -20.1 -5.8 17.9 29.5 52 87 A S T <<5S- 0 0 33 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.255 120.4-111.9-101.0 7.7 -2.8 20.1 30.4 53 88 A F T < 5 + 0 0 53 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.864 69.1 151.4 61.8 37.2 -3.9 20.0 34.1 54 89 A Q < - 0 0 22 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.721 34.7-142.6 -99.6 148.2 -4.7 23.7 33.8 55 90 A K - 0 0 107 -2,-0.3 4,-0.1 2,-0.2 -9,-0.0 -0.812 36.0 -78.6-115.3 155.2 -7.4 25.4 35.9 56 91 A A S S+ 0 0 61 -2,-0.3 2,-0.8 1,-0.1 -22,-0.4 0.615 119.3 33.8 -11.8 -92.3 -10.0 28.2 35.0 57 92 A P S S- 0 0 79 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 -0.676 93.7-133.1 -80.3 116.4 -7.8 31.4 35.2 58 93 A L E -B 32 0A 11 -26,-1.9 -26,-2.9 -2,-0.8 2,-0.8 -0.501 5.3-135.0 -71.7 121.1 -4.4 30.3 33.9 59 94 A E E -B 31 0A 43 -2,-0.4 2,-0.4 -28,-0.3 -28,-0.3 -0.665 35.7-164.3 -72.6 114.0 -1.4 31.5 36.1 60 95 A T E -B 30 0A 11 -30,-3.5 -30,-2.0 -2,-0.8 2,-0.1 -0.864 15.7-130.9-113.2 136.1 0.8 32.6 33.2 61 96 A S E -B 29 0A 2 -2,-0.4 2,-0.5 206,-0.3 -32,-0.2 -0.477 12.6-150.6 -81.1 152.1 4.5 33.4 33.3 62 97 A V E -B 28 0A 2 -34,-2.0 -35,-3.0 -2,-0.1 -34,-0.6 -0.990 26.0-174.8-123.2 117.7 5.8 36.7 31.8 63 98 A T E -B 26 0A 2 203,-1.5 2,-0.3 -2,-0.5 -37,-0.2 -0.882 23.4-172.7-128.4 150.8 9.3 36.3 30.5 64 99 A G E -B 25 0A 0 -39,-2.5 -39,-2.8 -2,-0.3 2,-0.5 -0.918 21.9-134.0-127.9 155.8 12.2 38.3 29.0 65 100 A Y E -BC 24 76A 6 11,-2.5 11,-3.4 -2,-0.3 2,-0.5 -0.944 6.7-154.8-123.5 127.2 15.5 36.9 27.5 66 101 A L E -BC 23 75A 0 -43,-2.9 -43,-2.0 -2,-0.5 2,-0.5 -0.794 11.0-168.8 -95.0 130.4 19.0 38.1 28.1 67 102 A V E -BC 22 74A 0 7,-3.7 7,-3.1 -2,-0.5 2,-0.7 -0.979 6.9-172.3-120.6 121.1 21.5 37.4 25.4 68 103 A N E -BC 21 73A 0 -47,-2.3 -47,-1.5 -2,-0.5 5,-0.2 -0.886 2.7-177.6-113.9 99.7 25.2 38.0 26.1 69 104 A T - 0 0 19 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.478 50.6-110.1 -75.6 -0.0 27.1 37.5 22.8 70 105 A G S S+ 0 0 55 2,-0.5 3,-0.1 227,-0.2 -1,-0.1 0.583 116.5 48.3 81.8 10.1 30.4 38.1 24.6 71 106 A S S S+ 0 0 86 1,-0.5 2,-0.3 118,-0.1 -1,-0.1 0.356 118.6 28.1-145.4 -39.3 30.7 41.4 22.7 72 107 A K - 0 0 60 117,-0.1 -3,-2.0 224,-0.1 2,-0.6 -0.958 64.3-144.5-130.7 148.0 27.2 42.9 23.4 73 108 A L E +C 68 0A 0 -2,-0.3 33,-3.4 31,-0.2 34,-1.6 -0.957 29.9 178.9-113.7 110.3 24.7 42.4 26.3 74 109 A V E -Cd 67 107A 0 -7,-3.1 -7,-3.7 -2,-0.6 2,-0.5 -0.928 17.7-154.5-117.2 140.8 21.2 42.5 24.8 75 110 A L E -Cd 66 108A 0 32,-2.8 34,-2.3 -2,-0.4 2,-0.8 -0.953 7.1-150.4-116.0 126.2 17.8 42.1 26.6 76 111 A V E S-Cd 65 109A 2 -11,-3.4 -11,-2.5 -2,-0.5 34,-0.2 -0.854 71.4 -17.5 -99.8 108.1 14.8 40.9 24.7 77 112 A D - 0 0 2 32,-2.0 41,-0.2 -2,-0.8 -12,-0.1 0.347 62.6-138.3 72.3 150.6 11.6 42.4 26.3 78 113 A T - 0 0 1 39,-2.4 3,-0.3 1,-0.4 14,-0.2 0.340 33.3-120.0-125.7 6.3 11.7 43.9 29.8 79 114 A G - 0 0 1 37,-0.4 41,-1.6 38,-0.2 40,-0.6 -0.412 42.5 -65.3 85.8-162.6 8.6 42.8 31.6 80 115 A A > - 0 0 0 39,-0.3 3,-2.5 1,-0.3 2,-0.3 0.642 47.1-165.3-105.5 -16.4 5.9 45.0 33.0 81 116 A A T 3 S- 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 3,-0.3 -0.517 78.7 -29.3 60.9-123.6 7.6 46.9 35.8 82 117 A G T 3 S+ 0 0 70 -2,-0.3 3,-0.4 37,-0.2 -1,-0.3 0.123 119.3 95.0-109.4 22.3 4.5 48.3 37.6 83 118 A L S < S+ 0 0 77 -3,-2.5 -1,-0.1 32,-0.2 -2,-0.1 0.569 85.8 40.7 -89.2 -9.6 2.2 48.5 34.6 84 119 A F S S- 0 0 70 1,-0.4 -1,-0.2 -3,-0.3 3,-0.2 -0.144 114.7 -59.5-135.9 50.2 0.4 45.2 34.9 85 120 A G > - 0 0 41 -3,-0.4 3,-1.0 1,-0.1 -1,-0.4 -0.163 58.2 -76.2 103.4 163.0 -0.4 44.3 38.5 86 121 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 0.660 119.3 65.4 -73.7 -14.7 1.3 43.7 41.9 87 122 A T T 3 S+ 0 0 67 -3,-0.2 -58,-1.0 -59,-0.1 2,-0.2 0.331 97.4 54.5 -93.2 8.9 2.5 40.2 40.7 88 123 A L < + 0 0 12 -3,-1.0 -60,-0.2 -60,-0.2 -3,-0.1 -0.482 59.8 81.4-123.7-164.0 4.9 41.3 37.9 89 124 A G + 0 0 30 -2,-0.2 4,-0.3 27,-0.1 -61,-0.1 0.818 54.0 126.0 73.5 30.4 7.9 43.6 37.5 90 125 A R > + 0 0 83 -63,-1.4 4,-2.5 1,-0.1 5,-0.2 0.531 42.6 93.3 -97.7 -3.6 10.4 41.1 38.9 91 126 A L H > S+ 0 0 3 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.939 80.8 52.4 -54.3 -57.1 12.7 41.2 35.8 92 127 A A H > S+ 0 0 47 -14,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 113.2 46.2 -45.7 -49.8 15.1 43.9 37.0 93 128 A A H > S+ 0 0 62 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.940 114.3 47.0 -60.2 -49.1 15.6 42.0 40.3 94 129 A N H X S+ 0 0 9 -4,-2.5 4,-2.0 -68,-0.3 -1,-0.2 0.854 107.3 57.7 -63.7 -33.1 16.1 38.7 38.5 95 130 A L H <>S+ 0 0 0 -4,-3.4 5,-1.8 -5,-0.2 -1,-0.2 0.962 111.2 42.4 -61.8 -47.6 18.5 40.4 36.1 96 131 A K H ><5S+ 0 0 103 -4,-2.2 3,-3.0 -5,-0.2 -2,-0.2 0.952 113.2 50.0 -64.0 -49.3 20.7 41.4 39.0 97 132 A A H 3<5S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 102.2 65.7 -57.0 -28.7 20.4 38.1 40.8 98 133 A A T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.533 127.6-102.9 -69.3 -5.5 21.4 36.7 37.3 99 134 A G T < 5S+ 0 0 45 -3,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.486 85.9 108.1 97.5 3.8 24.7 38.4 37.9 100 135 A Y < - 0 0 2 -5,-1.8 -1,-0.3 197,-0.0 -2,-0.1 -0.758 58.4-134.8-115.3 162.7 24.3 41.5 35.7 101 136 A Q > - 0 0 92 -2,-0.3 3,-2.0 1,-0.1 4,-0.5 -0.885 22.1-126.0-112.4 141.7 23.7 45.2 36.2 102 137 A P G > S+ 0 0 14 0, 0.0 3,-1.4 0, 0.0 29,-0.3 0.872 110.5 63.0 -55.2 -32.9 21.1 47.1 34.3 103 138 A E G 3 S+ 0 0 96 1,-0.3 26,-0.1 27,-0.1 25,-0.0 0.681 94.9 60.5 -64.9 -19.4 23.9 49.6 33.3 104 139 A Q G < S+ 0 0 61 -3,-2.0 2,-0.3 26,-0.0 -1,-0.3 0.595 76.4 107.5 -85.5 -10.0 25.7 46.8 31.4 105 140 A V < - 0 0 0 -3,-1.4 26,-0.2 -4,-0.5 -31,-0.2 -0.528 47.1-172.1 -71.5 126.9 22.9 46.2 29.0 106 141 A D + 0 0 36 -33,-3.4 27,-1.8 -2,-0.3 2,-0.3 0.844 64.4 10.3 -87.7 -36.7 23.8 47.5 25.5 107 142 A E E -de 74 133A 25 -34,-1.6 -32,-2.8 25,-0.3 2,-0.5 -0.998 54.1-152.3-147.8 150.2 20.6 47.0 23.7 108 143 A I E -de 75 134A 0 25,-2.4 27,-3.2 -2,-0.3 2,-0.5 -0.988 12.3-161.3-124.0 126.3 17.0 46.2 24.3 109 144 A Y E -de 76 135A 0 -34,-2.3 -32,-2.0 -2,-0.5 2,-0.5 -0.939 8.6-151.5-108.7 125.5 14.9 44.6 21.6 110 145 A I - 0 0 0 25,-2.4 27,-0.4 -2,-0.5 3,-0.1 -0.868 12.1-165.8-101.1 121.1 11.1 44.8 21.9 111 146 A T S S- 0 0 2 -2,-0.5 93,-2.3 1,-0.3 2,-0.3 0.961 80.2 -24.2 -65.7 -48.8 9.0 42.0 20.4 112 147 A H - 0 0 0 91,-0.2 2,-0.5 -3,-0.1 -1,-0.3 -0.977 66.0-106.3-158.0 160.7 6.0 44.3 20.8 113 148 A M + 0 0 1 -2,-0.3 52,-0.1 -3,-0.1 55,-0.1 -0.130 61.7 137.4 -89.4 40.6 4.9 47.2 22.9 114 149 A H >> - 0 0 19 -2,-0.5 4,-2.1 1,-0.1 3,-2.0 -0.449 69.0-105.2 -77.6 160.5 2.4 45.6 25.2 115 150 A P H 3> S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 119.4 55.9 -50.8 -44.5 2.6 46.6 28.9 116 151 A D H 34 S+ 0 0 20 1,-0.2 -37,-0.4 2,-0.2 -36,-0.3 0.244 114.5 39.0 -77.8 15.0 4.1 43.3 29.9 117 152 A H H <4 S+ 0 0 0 -3,-2.0 -39,-2.4 -39,-0.2 -1,-0.2 0.557 124.1 32.3-130.8 -29.2 7.0 43.8 27.5 118 153 A V H >< S+ 0 0 0 -4,-2.1 3,-2.1 -41,-0.2 4,-0.3 0.644 92.8 85.0-106.5 -17.6 7.8 47.5 27.7 119 154 A G G >< S+ 0 0 2 -4,-2.2 3,-1.7 -40,-0.6 -39,-0.3 0.875 83.6 62.3 -52.2 -42.0 7.1 48.4 31.3 120 155 A G G 3 S+ 0 0 14 -41,-1.6 -1,-0.3 1,-0.3 -40,-0.1 0.609 81.6 82.8 -62.0 -11.7 10.5 47.3 32.5 121 156 A L G < S+ 0 0 0 -3,-2.1 7,-2.4 -42,-0.3 8,-0.6 0.840 93.0 51.6 -61.5 -30.6 12.1 50.0 30.3 122 157 A M E < -H 127 0C 18 -3,-1.7 2,-0.8 -4,-0.3 5,-0.2 -0.904 57.9-165.9-116.4 135.2 11.4 52.5 33.1 123 158 A V E > S-H 126 0C 92 3,-2.5 3,-1.1 -2,-0.4 2,-0.6 -0.822 81.8 -51.4-111.4 84.9 12.3 52.5 36.8 124 159 A G T 3 S- 0 0 63 -2,-0.8 4,-0.1 1,-0.2 -42,-0.1 -0.736 116.9 -29.3 85.0-120.3 10.0 55.3 37.8 125 160 A E T 3 S+ 0 0 171 -2,-0.6 2,-0.4 2,-0.1 -1,-0.2 0.148 122.1 91.6-116.2 16.4 10.8 58.3 35.5 126 161 A Q E < S-H 123 0C 151 -3,-1.1 -3,-2.5 1,-0.0 2,-0.1 -0.893 89.0 -98.9-113.8 142.6 14.4 57.2 35.0 127 162 A L E -H 122 0C 40 -2,-0.4 -5,-0.2 -5,-0.2 -2,-0.1 -0.371 25.9-155.8 -56.4 125.5 15.8 55.0 32.3 128 163 A A S S+ 0 0 18 -7,-2.4 -1,-0.2 1,-0.3 -6,-0.2 0.769 94.8 38.9 -74.6 -25.6 16.2 51.5 33.8 129 164 A F S > S+ 0 0 4 -8,-0.6 3,-1.4 1,-0.1 -1,-0.3 -0.732 74.5 175.4-125.4 78.2 18.9 50.8 31.2 130 165 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.595 75.2 46.3 -60.7 -15.9 20.8 54.1 31.0 131 166 A N T 3 S+ 0 0 106 -29,-0.3 2,-0.3 -26,-0.2 -28,-0.0 0.128 97.1 87.6-119.8 26.1 23.5 52.8 28.6 132 167 A A < - 0 0 2 -3,-1.4 2,-0.3 -25,-0.0 -25,-0.3 -0.836 65.1-132.2-124.5 158.0 21.4 51.0 26.0 133 168 A V E -e 107 0A 27 -27,-1.8 -25,-2.4 -2,-0.3 2,-0.5 -0.810 24.4-132.5-103.7 147.9 19.6 51.8 22.8 134 169 A V E -ef 108 178A 0 43,-3.3 45,-2.9 -2,-0.3 2,-0.4 -0.902 21.9-168.3-104.6 131.0 16.0 50.5 22.4 135 170 A R E +e 109 0A 51 -27,-3.2 -25,-2.4 -2,-0.5 2,-0.3 -0.970 18.6 146.4-122.0 132.7 15.2 48.8 19.1 136 171 A A - 0 0 0 -2,-0.4 45,-2.0 43,-0.2 2,-0.2 -0.936 51.9 -72.1-154.0 171.8 11.7 48.0 18.0 137 172 A D B > -i 181 0D 5 -27,-0.4 4,-2.5 65,-0.3 5,-0.2 -0.469 33.9-131.5 -75.5 141.5 9.8 47.7 14.7 138 173 A Q H > S+ 0 0 69 43,-2.8 4,-2.9 1,-0.2 5,-0.2 0.903 109.4 48.7 -57.3 -44.8 8.9 50.9 12.9 139 174 A K H > S+ 0 0 131 42,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.879 109.3 54.7 -64.0 -34.9 5.3 49.9 12.4 140 175 A E H >> S+ 0 0 0 62,-0.3 4,-2.1 1,-0.2 3,-1.0 0.980 113.2 40.5 -60.9 -55.3 5.1 48.9 16.1 141 176 A A H 3X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.883 110.1 57.7 -59.9 -43.4 6.3 52.4 17.2 142 177 A D H 3< S+ 0 0 102 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.652 112.4 44.2 -64.8 -13.6 4.1 54.3 14.6 143 178 A F H << S+ 0 0 64 -3,-1.0 3,-0.3 -4,-0.8 -2,-0.2 0.869 120.5 32.8 -95.1 -49.1 1.1 52.5 16.1 144 179 A W H < S+ 0 0 17 -4,-2.1 22,-0.2 1,-0.2 -2,-0.2 0.810 117.4 50.5 -81.3 -34.2 1.6 52.8 19.9 145 180 A L S < S+ 0 0 40 -4,-2.2 2,-0.5 -5,-0.3 -1,-0.2 0.396 83.5 120.2 -87.1 6.3 3.4 56.2 20.1 146 181 A S > - 0 0 25 -3,-0.3 4,-1.6 -5,-0.2 5,-0.1 -0.581 50.8-161.7 -76.6 118.7 0.7 57.8 17.9 147 182 A Q H > S+ 0 0 108 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.933 94.2 55.8 -61.8 -44.9 -1.1 60.6 19.7 148 183 A T H 4 S+ 0 0 100 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.911 106.6 48.7 -51.8 -51.8 -3.9 60.3 17.2 149 184 A N H 4 S+ 0 0 36 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 110.5 51.5 -61.3 -36.2 -4.4 56.6 18.0 150 185 A L H >< S+ 0 0 16 -4,-1.6 3,-3.0 1,-0.2 -2,-0.2 0.996 111.2 44.5 -64.0 -65.2 -4.5 57.2 21.7 151 186 A D T 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.613 115.6 54.1 -55.5 -8.5 -7.1 60.0 21.5 152 187 A K T 3 S+ 0 0 150 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.113 80.3 140.9-112.4 17.8 -8.8 57.5 19.1 153 188 A A < - 0 0 12 -3,-3.0 3,-0.5 1,-0.1 6,-0.1 -0.483 42.0-147.4 -72.5 124.9 -8.8 54.5 21.5 154 189 A P S S+ 0 0 114 0, 0.0 2,-4.5 0, 0.0 -1,-0.1 0.930 88.0 35.0 -51.4-103.2 -11.9 52.2 21.5 155 190 A D S > S- 0 0 118 3,-0.1 3,-1.3 2,-0.1 -2,-0.1 -0.230 99.8-149.0 -60.2 66.4 -12.7 50.8 25.0 156 191 A D T 3 S+ 0 0 69 -2,-4.5 2,-2.4 -3,-0.5 4,-0.1 0.307 72.5 33.8 -33.0 162.3 -11.5 54.0 26.5 157 192 A E T 3 S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 -0.303 111.1 68.7 76.7 -51.7 -9.8 54.2 29.9 158 193 A S S < S+ 0 0 72 -2,-2.4 3,-0.3 -3,-1.3 -1,-0.2 -0.001 71.7 94.1 -84.2 29.9 -8.4 50.8 29.1 159 194 A K > + 0 0 32 1,-0.2 4,-1.4 2,-0.1 3,-0.4 -0.196 44.2 114.8-107.7 29.8 -6.3 52.6 26.4 160 195 A G H > + 0 0 32 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.511 60.0 76.5 -77.2 -5.9 -3.6 52.8 29.1 161 196 A F H > S+ 0 0 65 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.935 97.8 41.1 -68.4 -46.5 -1.8 50.6 26.6 162 197 A F H > S+ 0 0 21 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.954 118.6 46.0 -65.3 -47.8 -1.0 53.6 24.5 163 198 A K H X S+ 0 0 115 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.904 114.9 51.8 -57.9 -39.6 -0.3 55.6 27.6 164 199 A G H X S+ 0 0 8 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.920 109.1 44.7 -64.1 -48.4 1.7 52.6 28.7 165 200 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.904 114.8 53.8 -63.3 -38.9 3.9 52.2 25.6 166 201 A M H X S+ 0 0 18 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.925 106.8 45.8 -61.4 -51.7 4.4 56.0 25.7 167 202 A A H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 117.4 48.7 -64.3 -24.1 5.6 56.4 29.2 168 203 A S H < S+ 0 0 3 -4,-1.3 4,-0.3 -5,-0.2 -2,-0.2 0.898 124.1 24.0 -83.2 -43.2 7.9 53.5 28.6 169 204 A L H >X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.1 3,-0.6 0.798 104.4 71.6 -96.7 -32.3 9.5 54.5 25.2 170 205 A N H 3X S+ 0 0 44 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.911 92.8 60.3 -54.1 -43.3 9.2 58.3 24.9 171 206 A P H 3> S+ 0 0 33 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.906 110.2 41.7 -53.2 -41.5 11.9 58.9 27.6 172 207 A Y H <4>S+ 0 0 0 -3,-0.6 5,-3.2 -4,-0.3 6,-0.6 0.877 111.7 56.4 -71.0 -36.2 14.4 56.9 25.4 173 208 A V H ><5S+ 0 0 61 -4,-2.3 3,-1.4 1,-0.2 5,-0.2 0.948 109.2 45.4 -59.2 -47.7 13.1 58.6 22.3 174 209 A K H 3<5S+ 0 0 177 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 109.7 55.3 -68.2 -22.2 13.9 62.0 23.8 175 210 A A T 3<5S- 0 0 52 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.434 117.5-116.0 -89.5 1.6 17.3 60.8 25.0 176 211 A G T < 5S+ 0 0 59 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.799 84.5 117.1 70.3 30.3 18.0 59.8 21.4 177 212 A K < + 0 0 52 -5,-3.2 -43,-3.3 -6,-0.1 2,-0.7 0.307 39.7 99.4-111.5 6.6 18.2 56.1 22.2 178 213 A F B +f 134 0A 33 -6,-0.6 -43,-0.2 -5,-0.2 -45,-0.0 -0.862 43.0 174.8 -98.1 118.4 15.3 54.8 20.2 179 214 A K - 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