==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-01 1JD7 . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR N.AGHAJARI,R.HASER . 448 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.5 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 2 0.4 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 2 0 1 0 1 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 3 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 0 PARALLEL BRIDGES PER LADDER . 10 3 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 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 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 1 A T 0 0 115 0, 0.0 351,-0.2 0, 0.0 352,-0.1 0.000 360.0 360.0 360.0 132.5 24.9 5.4 16.5 2 2 A P + 0 0 89 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.389 360.0 146.0 -62.5 133.0 24.1 9.1 15.9 3 3 A T + 0 0 11 25,-0.4 2,-0.3 1,-0.2 26,-0.1 0.452 51.2 57.1-143.9 -14.8 21.3 9.4 13.3 4 4 A T - 0 0 0 24,-0.4 26,-3.7 294,-0.1 27,-0.8 -0.944 52.1-169.7-130.7 145.6 19.3 12.5 14.3 5 5 A F E -ab 31 300A 0 294,-2.0 296,-2.5 -2,-0.3 2,-0.3 -0.829 13.6-138.9-126.2 169.0 19.9 16.2 14.7 6 6 A V E -ab 32 301A 0 25,-2.2 27,-3.5 -2,-0.3 2,-0.7 -0.923 9.2-135.4-130.9 155.2 17.8 19.1 16.1 7 7 A H E -ab 33 302A 0 294,-2.3 2,-1.8 -2,-0.3 296,-1.3 -0.912 12.7-162.6-110.6 103.7 17.1 22.7 15.3 8 8 A L E > - b 0 303A 1 25,-1.4 3,-1.9 -2,-0.7 27,-0.4 -0.608 22.8-149.2 -86.5 77.6 17.2 24.8 18.5 9 9 A F T 3 S- 0 0 0 -2,-1.8 3,-0.1 294,-1.3 25,-0.1 -0.282 70.9 -13.0 -54.6 118.0 15.3 27.7 16.9 10 10 A E T 3 S+ 0 0 16 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.590 92.0 150.1 63.5 14.3 16.4 31.0 18.5 11 11 A W < - 0 0 0 -3,-1.9 24,-0.4 1,-0.1 -1,-0.2 -0.605 45.1-125.3 -75.6 131.7 18.3 29.3 21.3 12 12 A N > - 0 0 38 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.332 25.4-101.9 -75.9 164.3 21.2 31.4 22.5 13 13 A W H > S+ 0 0 2 48,-2.5 4,-2.2 1,-0.2 5,-0.2 0.819 121.0 53.0 -54.9 -36.1 24.8 30.1 22.6 14 14 A Q H > S+ 0 0 103 47,-0.4 4,-2.2 2,-0.2 5,-0.2 0.954 109.7 47.8 -66.2 -47.5 24.6 29.6 26.4 15 15 A D H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 111.6 50.6 -60.4 -40.3 21.4 27.6 26.2 16 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.946 108.6 51.2 -63.8 -48.4 22.8 25.4 23.4 17 17 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.930 114.5 42.8 -54.4 -49.6 26.0 24.6 25.3 18 18 A Q H X S+ 0 0 53 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.907 111.6 55.1 -64.8 -40.8 24.1 23.5 28.4 19 19 A E H X>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-1.9 0.843 107.5 51.2 -61.8 -32.8 21.5 21.6 26.4 20 20 A a H <>S+ 0 0 0 -4,-2.2 5,-2.3 3,-0.2 -1,-0.2 0.935 115.1 40.4 -68.7 -46.8 24.4 19.6 24.7 21 21 A E H <5S+ 0 0 82 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.852 123.8 37.3 -71.4 -36.7 26.0 18.6 28.0 22 22 A Q H <5S- 0 0 110 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.786 135.9 -8.0 -90.5 -29.5 22.8 17.9 29.9 23 23 A Y T X5S+ 0 0 27 -4,-1.9 4,-2.6 -5,-0.3 6,-0.2 0.659 120.5 54.5-133.3 -58.2 20.4 16.3 27.4 24 24 A L H >XS+ 0 0 0 -5,-2.4 5,-2.0 1,-0.2 4,-0.5 0.893 112.7 45.4 -53.8 -47.3 21.4 16.2 23.7 25 25 A G H >4 S- 0 0 59 1,-0.1 3,-1.4 268,-0.1 4,-0.3 -0.255 71.6-130.5 -56.9 141.0 11.5 39.5 14.8 46 46 A W G > S+ 0 0 13 266,-1.5 3,-1.8 1,-0.3 4,-0.2 0.895 103.4 64.7 -61.4 -38.7 12.8 36.0 14.3 47 47 A W G > S+ 0 0 74 265,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.495 76.7 84.7 -66.0 -1.8 13.4 36.7 10.6 48 48 A T G X S+ 0 0 0 -3,-1.4 3,-2.0 1,-0.3 -7,-0.7 0.839 79.0 68.8 -67.1 -29.4 16.0 39.4 11.3 49 49 A R G < S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.741 94.6 56.8 -60.5 -20.4 18.5 36.5 11.5 50 50 A Y G < S+ 0 0 17 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.272 89.5 76.5 -97.6 13.4 18.0 36.0 7.8 51 51 A Q S < S- 0 0 31 -3,-2.0 -10,-1.5 -10,-0.1 -1,-0.2 -0.768 74.9-159.0-123.2 81.6 19.0 39.6 6.8 52 52 A P B +I 40 0B 0 0, 0.0 39,-2.9 0, 0.0 -12,-0.3 -0.136 25.1 177.2 -60.6 154.1 22.9 39.6 7.1 53 53 A V S S- 0 0 0 -14,-1.9 57,-0.4 1,-0.6 2,-0.3 0.558 72.4 -20.2-125.2 -37.9 25.0 42.7 7.5 54 54 A S - 0 0 2 -15,-1.0 -1,-0.6 2,-0.2 -15,-0.1 -0.916 63.8-105.4-159.3 177.7 28.5 41.1 7.8 55 55 A Y S S+ 0 0 32 -2,-0.3 2,-0.2 -17,-0.2 -15,-0.0 0.107 71.0 128.2-103.7 24.1 30.0 37.7 8.7 56 56 A E S S- 0 0 100 2,-0.1 2,-2.3 1,-0.1 -17,-1.8 -0.592 70.4-116.7 -78.4 140.7 31.2 38.7 12.1 57 57 A L S S+ 0 0 7 -2,-0.2 2,-0.5 -19,-0.2 10,-0.2 -0.314 76.9 117.5 -77.0 59.0 30.0 36.3 14.9 58 58 A Q + 0 0 76 -2,-2.3 -18,-0.4 5,-0.2 2,-0.2 -0.920 38.5 128.0-128.9 102.4 28.0 38.9 16.7 59 59 A S B > S-K 62 0D 13 3,-2.6 3,-1.8 -2,-0.5 -20,-0.1 -0.787 73.6 -76.3-143.7-174.7 24.2 38.1 16.8 60 60 A R T 3 S+ 0 0 78 1,-0.3 3,-0.1 -2,-0.2 -48,-0.1 0.814 125.4 58.6 -58.8 -30.2 21.1 37.7 19.0 61 61 A G T 3 S- 0 0 5 -25,-0.3 -48,-2.5 1,-0.3 -47,-0.4 0.620 121.3 -88.9 -76.2 -12.6 22.5 34.3 20.1 62 62 A G B < -K 59 0D 13 -3,-1.8 -3,-2.6 -50,-0.2 -1,-0.3 -0.848 50.0 -51.2 137.4-173.4 25.7 35.9 21.5 63 63 A N > - 0 0 58 -2,-0.3 4,-2.2 -5,-0.2 -5,-0.2 -0.364 56.8 -93.6 -94.1 177.6 29.2 37.0 20.7 64 64 A R H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 123.1 53.6 -57.7 -45.7 32.1 35.2 19.0 65 65 A A H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 112.1 44.2 -57.4 -47.7 33.6 34.0 22.4 66 66 A Q H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 111.7 54.7 -66.7 -33.6 30.3 32.6 23.5 67 67 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 -10,-0.2 -2,-0.2 0.948 110.5 44.9 -63.8 -48.0 29.8 31.0 20.0 68 68 A I H X S+ 0 0 50 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.931 110.3 54.2 -61.5 -46.7 33.2 29.3 20.2 69 69 A D H X S+ 0 0 75 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.899 108.0 51.3 -54.7 -42.3 32.5 28.1 23.8 70 70 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.911 108.8 50.2 -63.4 -42.2 29.3 26.5 22.6 71 71 A V H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.931 114.3 44.0 -62.9 -43.8 31.1 24.7 19.8 72 72 A N H X S+ 0 0 87 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.936 114.5 48.6 -65.8 -48.4 33.7 23.3 22.2 73 73 A R H X S+ 0 0 65 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.903 114.2 45.2 -60.4 -43.3 31.3 22.3 24.9 74 74 A a H <>S+ 0 0 0 -4,-2.4 5,-3.1 -5,-0.2 3,-0.5 0.921 111.8 52.5 -67.0 -42.9 28.9 20.6 22.5 75 75 A S H ><5S+ 0 0 62 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.907 106.4 54.1 -58.0 -42.2 31.8 18.8 20.8 76 76 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.8 50.1 -62.2 -30.5 33.0 17.6 24.2 77 77 A A T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.397 126.0-103.2 -88.3 1.0 29.5 16.1 24.8 78 78 A G T < 5S+ 0 0 55 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.2 0.693 80.8 128.3 85.9 21.5 29.6 14.4 21.4 79 79 A V < - 0 0 2 -5,-3.1 -48,-0.2 -6,-0.1 -1,-0.2 -0.939 45.9-146.0-118.1 122.6 27.3 16.8 19.6 80 80 A D E -c 31 0A 56 -50,-2.5 -48,-1.7 -2,-0.5 2,-0.4 -0.230 11.4-132.3 -77.3 169.7 28.1 18.6 16.3 81 81 A I E -c 32 0A 2 86,-0.3 89,-1.5 -50,-0.2 88,-1.3 -0.986 12.2-165.0-127.3 133.5 27.1 22.0 15.2 82 82 A Y E -cd 33 170A 6 -50,-2.5 -48,-2.4 -2,-0.4 2,-0.5 -0.980 15.2-145.6-117.4 127.6 25.6 23.0 11.9 83 83 A V E -cd 34 171A 0 87,-2.3 89,-2.6 -2,-0.5 2,-0.8 -0.821 14.8-127.5 -97.9 131.2 25.5 26.7 11.1 84 84 A D E - d 0 172A 0 -50,-0.8 2,-0.5 -2,-0.5 89,-0.2 -0.695 35.1-158.8 -76.5 111.9 22.6 28.1 9.1 85 85 A T E - d 0 173A 1 87,-3.5 89,-2.9 -2,-0.8 2,-1.4 -0.850 16.3-144.0-104.2 126.1 24.5 29.9 6.3 86 86 A L E + d 0 174A 4 -2,-0.5 87,-0.1 1,-0.2 89,-0.1 -0.658 34.3 157.4 -86.9 89.7 23.0 32.7 4.2 87 87 A I + 0 0 2 -2,-1.4 -1,-0.2 87,-0.5 88,-0.1 0.512 65.3 52.7 -91.5 -3.7 24.5 32.0 0.7 88 88 A N S S- 0 0 1 86,-0.3 57,-1.3 1,-0.2 2,-0.3 0.741 108.1 -2.6-104.3 -26.4 21.9 33.9 -1.3 89 89 A H E -L 144 0E 2 55,-0.2 2,-0.3 -39,-0.1 55,-0.2 -0.926 47.4-126.8-157.6 178.4 21.5 37.4 0.0 90 90 A M E -L 143 0E 0 53,-1.7 53,-0.7 -2,-0.3 -37,-0.2 -0.776 54.2 -63.6-126.0 170.7 22.2 40.3 2.4 91 91 A A - 0 0 3 -39,-2.9 52,-0.5 -2,-0.3 2,-0.2 -0.040 49.6-121.6 -55.9 157.7 19.8 42.5 4.4 92 92 A A S S- 0 0 33 50,-0.1 50,-0.1 48,-0.1 -1,-0.1 -0.557 70.3 -2.1 -96.7 163.4 17.3 44.8 2.8 93 93 A G S S- 0 0 58 48,-0.3 13,-0.4 -2,-0.2 2,-0.3 -0.231 95.3 -68.5 59.3-141.0 17.0 48.5 3.3 94 94 A S + 0 0 87 10,-0.2 2,-0.3 11,-0.1 10,-0.3 -0.940 65.5 97.7-147.1 167.3 19.5 50.2 5.6 95 95 A G E -M 103 0F 34 8,-2.4 8,-2.1 -2,-0.3 2,-0.4 -0.996 64.9 -46.4 153.7-151.2 20.5 50.5 9.3 96 96 A T E -M 102 0F 68 -2,-0.3 -54,-0.8 6,-0.2 6,-0.2 -0.946 46.7-131.0-122.9 142.1 23.0 49.1 11.8 97 97 A G B > -J 41 0C 4 4,-3.4 3,-2.2 -2,-0.4 -56,-0.2 -0.318 33.7 -97.4 -86.8 172.9 23.9 45.5 12.4 98 98 A T T 3 S+ 0 0 43 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.1 0.476 127.1 50.5 -67.6 -0.0 24.1 43.6 15.7 99 99 A A T 3 S- 0 0 30 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.272 125.2 -99.4-117.8 5.8 27.9 44.3 15.6 100 100 A G S < S+ 0 0 51 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.401 75.2 141.8 92.8 -2.9 27.6 48.0 15.0 101 101 A N - 0 0 40 -5,-0.1 -4,-3.4 1,-0.0 -1,-0.3 -0.470 42.7-137.9 -75.0 144.6 28.1 48.0 11.3 102 102 A S E +M 96 0F 86 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.685 25.0 174.2 -99.4 155.3 26.1 50.4 9.1 103 103 A F E +M 95 0F 18 -8,-2.1 -8,-2.4 -2,-0.3 2,-0.2 -0.990 9.3 137.2-157.3 155.0 24.6 49.4 5.8 104 104 A G B > +N 107 0G 15 3,-1.8 3,-0.9 -2,-0.3 -10,-0.2 -0.829 57.6 35.4 169.5 153.1 22.4 50.8 3.1 105 105 A N T 3 S- 0 0 150 1,-0.3 3,-0.1 -2,-0.2 -11,-0.1 0.938 130.7 -56.9 54.2 48.8 21.8 51.2 -0.7 106 106 A K T 3 S+ 0 0 39 -13,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.797 109.1 132.1 51.9 32.2 23.3 47.7 -1.2 107 107 A S B < +N 104 0G 62 -3,-0.9 -3,-1.8 5,-0.2 5,-0.2 -0.967 27.4 164.7-117.5 121.4 26.4 48.8 0.6 108 108 A F - 0 0 16 3,-3.4 3,-0.4 -2,-0.5 -5,-0.1 -0.840 52.8 -98.4-129.7 167.3 27.8 46.6 3.3 109 109 A P S S+ 0 0 59 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 0.781 126.1 20.0 -56.4 -26.9 31.1 46.2 5.3 110 110 A I S S+ 0 0 46 -57,-0.4 2,-0.3 1,-0.1 -56,-0.1 0.340 123.0 57.9-125.1 3.3 32.1 43.4 2.9 111 111 A Y - 0 0 5 -3,-0.4 -3,-3.4 34,-0.0 -1,-0.1 -0.989 56.4-162.2-138.8 147.7 29.9 44.0 -0.1 112 112 A S > - 0 0 37 -2,-0.3 3,-1.8 -5,-0.2 -5,-0.2 -0.723 43.3 -96.1-117.9 170.0 29.3 46.8 -2.6 113 113 A P G > S+ 0 0 54 0, 0.0 3,-1.3 0, 0.0 -6,-0.1 0.818 122.8 60.5 -57.5 -30.8 26.3 47.3 -4.9 114 114 A Q G 3 S+ 0 0 146 1,-0.3 4,-0.1 4,-0.0 -8,-0.0 0.656 92.7 65.1 -73.0 -14.6 28.3 45.7 -7.8 115 115 A D G < S+ 0 0 28 -3,-1.8 31,-2.7 -9,-0.2 2,-0.3 0.387 97.0 74.7 -87.5 4.9 28.6 42.5 -5.8 116 116 A F B < S-O 145 0H 12 -3,-1.3 29,-0.2 29,-0.3 2,-0.2 -0.782 89.5-105.1-115.7 159.6 24.8 42.1 -6.1 117 117 A H - 0 0 25 27,-3.4 27,-0.3 -2,-0.3 3,-0.1 -0.536 55.3 -86.7 -77.2 147.9 22.5 41.2 -9.0 118 118 A E - 0 0 178 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.324 61.5 -92.4 -55.9 136.7 20.7 44.1 -10.5 119 119 A S + 0 0 66 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.278 62.7 141.9 -60.4 132.3 17.5 44.6 -8.4 120 120 A b - 0 0 35 -3,-0.1 18,-3.6 16,-0.1 2,-0.5 -0.948 45.4-109.1-162.8 154.7 14.2 42.9 -9.5 121 121 A T B -p 138 0I 84 -2,-0.3 2,-0.5 16,-0.2 18,-0.1 -0.790 20.9-130.4 -99.6 130.7 11.4 41.2 -7.7 122 122 A I - 0 0 21 16,-1.8 2,-0.3 -2,-0.5 18,-0.2 -0.634 28.2-157.3 -76.3 123.3 10.7 37.5 -7.7 123 123 A N >> - 0 0 75 -2,-0.5 3,-2.1 1,-0.1 4,-0.7 -0.772 26.4-112.7-103.6 150.7 7.0 37.0 -8.6 124 124 A N H >> S+ 0 0 142 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.879 117.7 53.2 -44.9 -50.5 5.0 33.9 -7.7 125 125 A S H >> S+ 0 0 73 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.727 94.0 73.6 -61.9 -20.3 4.7 32.8 -11.3 126 126 A D H <> S+ 0 0 10 -3,-2.1 4,-2.3 1,-0.2 8,-0.3 0.863 86.8 62.8 -61.3 -35.7 8.5 33.1 -11.7 127 127 A Y H << S+ 0 0 50 -3,-1.4 81,-3.2 -4,-0.7 82,-0.5 0.860 109.8 40.4 -58.3 -34.0 8.8 29.9 -9.6 128 128 A G H << S+ 0 0 45 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.839 133.7 10.2 -86.8 -34.2 6.9 28.0 -12.3 129 129 A N H < S+ 0 0 120 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.321 113.7 64.2-132.1 11.9 8.3 29.4 -15.6 130 130 A D X + 0 0 53 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 -0.639 39.2 169.7-143.5 87.0 11.3 31.6 -15.0 131 131 A R H > S+ 0 0 95 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.896 82.3 58.4 -56.8 -45.1 14.5 30.0 -13.6 132 132 A Y H > S+ 0 0 153 1,-0.2 4,-1.3 2,-0.2 5,-0.3 0.916 107.2 43.6 -53.3 -53.4 16.5 33.2 -14.2 133 133 A R H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.830 109.9 58.0 -65.5 -31.8 14.3 35.5 -12.1 134 134 A V H < S+ 0 0 1 -4,-1.6 -1,-0.2 -8,-0.3 -2,-0.2 0.894 118.1 30.9 -65.1 -39.2 14.1 33.0 -9.3 135 135 A Q H < S+ 0 0 14 -4,-1.9 45,-0.2 -3,-0.2 -1,-0.2 0.493 129.2 37.4 -99.4 -4.1 17.9 32.9 -8.9 136 136 A N H < S+ 0 0 29 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.631 102.7 71.4-120.2 -20.6 18.7 36.5 -10.0 137 137 A b S < S- 0 0 0 -4,-2.1 -16,-0.2 -5,-0.3 2,-0.2 -0.516 91.4 -80.9 -94.9 167.8 15.9 38.6 -8.5 138 138 A E B -p 121 0I 25 -18,-3.6 -16,-1.8 -2,-0.2 2,-0.7 -0.422 27.3-138.1 -76.2 136.0 15.3 39.4 -4.9 139 139 A L B > S-Q 142 0J 36 3,-0.5 3,-2.1 1,-0.3 -1,-0.1 -0.832 90.5 -22.1 -89.9 115.0 13.6 37.2 -2.4 140 140 A V T 3 S- 0 0 122 -2,-0.7 -1,-0.3 1,-0.3 -48,-0.1 0.888 126.0 -55.7 46.6 47.6 11.2 39.4 -0.3 141 141 A G T 3 S+ 0 0 36 -3,-0.4 2,-0.3 1,-0.2 -48,-0.3 0.530 96.1 148.8 68.5 8.1 13.3 42.4 -1.3 142 142 A L B < -Q 139 0J 10 -3,-2.1 -3,-0.5 -50,-0.1 2,-0.2 -0.585 60.9-100.0 -78.2 132.2 16.6 41.0 0.0 143 143 A A E -L 90 0E 4 -53,-0.7 -53,-1.7 -52,-0.5 2,-0.9 -0.304 39.2-135.5 -53.0 112.0 19.8 42.1 -1.9 144 144 A D E -L 89 0E 0 -27,-0.3 -27,-3.4 -2,-0.2 -55,-0.2 -0.619 17.0-136.8 -81.2 105.2 20.5 39.2 -4.1 145 145 A L B -O 116 0H 0 -57,-1.3 2,-1.7 -2,-0.9 -29,-0.3 -0.187 17.9-116.0 -57.6 146.0 24.2 38.4 -4.1 146 146 A D > - 0 0 44 -31,-2.7 3,-2.3 1,-0.2 6,-0.3 -0.635 35.9-178.6 -86.2 82.2 26.0 37.7 -7.3 147 147 A T T 3 S+ 0 0 7 -2,-1.7 -1,-0.2 1,-0.3 40,-0.1 0.440 76.2 65.1 -64.1 1.1 26.9 34.1 -6.4 148 148 A A T 3 S+ 0 0 57 38,-0.0 -1,-0.3 4,-0.0 2,-0.1 0.627 80.5 102.9 -94.8 -17.7 28.6 33.7 -9.8 149 149 A S S <> S- 0 0 24 -3,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.405 70.7-142.3 -67.2 136.1 31.2 36.4 -8.7 150 150 A N H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 103.0 54.2 -67.7 -33.0 34.6 35.0 -7.6 151 151 A Y H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 109.2 45.9 -64.4 -49.6 34.7 37.7 -4.9 152 152 A V H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 5,-0.3 0.949 113.2 50.5 -57.8 -50.3 31.4 36.7 -3.4 153 153 A Q H X S+ 0 0 13 -4,-2.4 4,-2.8 -7,-0.2 -1,-0.2 0.916 111.4 47.8 -54.5 -47.0 32.3 33.0 -3.6 154 154 A N H X S+ 0 0 68 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.899 112.2 50.2 -61.8 -41.6 35.6 33.7 -1.8 155 155 A T H X S+ 0 0 21 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.948 114.8 41.5 -64.1 -49.5 33.9 35.8 0.8 156 156 A I H X S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.917 116.7 50.6 -64.5 -41.8 31.2 33.2 1.6 157 157 A A H X S+ 0 0 3 -4,-2.8 4,-3.3 -5,-0.3 5,-0.3 0.935 106.6 52.7 -62.3 -47.3 33.8 30.4 1.4 158 158 A A H X S+ 0 0 58 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.884 109.7 52.3 -55.9 -35.9 36.2 32.2 3.8 159 159 A Y H X S+ 0 0 16 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.953 112.0 43.2 -64.0 -50.8 33.3 32.4 6.2 160 160 A I H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 114.9 49.6 -61.6 -45.3 32.5 28.7 6.0 161 161 A N H X S+ 0 0 27 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.850 108.9 52.2 -65.0 -34.4 36.2 27.7 6.2 162 162 A D H X S+ 0 0 74 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.917 108.4 51.1 -68.2 -41.9 36.7 29.9 9.2 163 163 A L H X>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-1.0 0.878 108.2 52.7 -62.7 -37.0 33.7 28.3 11.0 164 164 A Q H <5S+ 0 0 45 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.890 104.9 55.1 -65.7 -37.5 35.2 24.9 10.3 165 165 A A H <5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.1 52.2 -63.0 -33.6 38.5 26.0 11.8 166 166 A I H <5S- 0 0 26 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.725 132.7 -92.6 -73.9 -23.3 36.5 26.9 15.0 167 167 A G T <5S+ 0 0 16 -4,-1.0 -86,-0.3 -3,-0.5 -3,-0.2 0.358 71.7 150.3 128.5 -5.9 35.0 23.4 15.0 168 168 A V < - 0 0 2 -5,-2.5 -1,-0.3 1,-0.2 -86,-0.1 -0.407 23.5-170.4 -60.4 128.3 31.7 23.8 13.0 169 169 A K + 0 0 96 -88,-1.3 27,-2.2 -2,-0.1 2,-0.3 0.498 59.6 24.2-100.9 -7.1 31.1 20.4 11.4 170 170 A G E -de 82 196A 0 -89,-1.5 -87,-2.3 25,-0.2 2,-0.4 -0.992 56.2-152.0-156.4 163.1 28.2 21.3 9.2 171 171 A F E -de 83 197A 0 25,-2.9 27,-2.0 -2,-0.3 2,-0.5 -1.000 9.6-148.5-143.8 141.2 26.4 23.9 7.3 172 172 A R E -de 84 198A 2 -89,-2.6 -87,-3.5 -2,-0.4 2,-1.0 -0.935 20.0-142.7-104.8 121.7 22.8 24.6 6.1 173 173 A F E > -de 85 199A 1 25,-2.4 27,-2.5 -2,-0.5 3,-0.9 -0.788 21.2-145.0 -89.7 104.2 22.7 26.6 2.8 174 174 A D E 3 S+d 86 0A 10 -89,-2.9 -87,-0.5 -2,-1.0 -86,-0.3 -0.394 74.4 3.5 -70.2 141.6 19.7 28.9 3.2 175 175 A A T > S+ 0 0 4 1,-0.1 3,-1.0 -2,-0.1 -1,-0.2 0.862 75.9 162.7 51.6 43.4 17.6 29.7 0.2 176 176 A S G X + 0 0 0 24,-1.1 3,-1.5 -3,-0.9 25,-0.2 0.759 65.7 65.3 -64.3 -24.5 19.6 27.3 -2.0 177 177 A K G 3 S+ 0 0 15 23,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.832 95.8 58.1 -66.2 -30.3 16.9 27.3 -4.7 178 178 A H G < S+ 0 0 14 -3,-1.0 2,-0.4 2,-0.1 -1,-0.3 0.370 99.9 70.2 -81.7 7.0 17.5 30.9 -5.3 179 179 A V S < S- 0 0 2 -3,-1.5 5,-0.1 -4,-0.1 -43,-0.1 -0.991 94.2-109.5-128.3 125.1 21.1 30.2 -6.1 180 180 A A >> - 0 0 18 -2,-0.4 4,-1.7 -45,-0.2 3,-0.5 -0.196 22.8-128.9 -51.3 137.5 22.1 28.3 -9.3 181 181 A A H 3> S+ 0 0 12 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.868 110.4 55.7 -58.6 -37.1 23.4 24.8 -8.6 182 182 A S H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.853 104.0 54.4 -65.4 -32.1 26.5 25.5 -10.6 183 183 A D H <> S+ 0 0 25 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.895 107.5 49.8 -66.4 -40.0 27.2 28.6 -8.4 184 184 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.871 107.9 54.9 -66.5 -35.7 27.0 26.3 -5.3 185 185 A Q H X S+ 0 0 99 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.946 107.1 48.4 -61.9 -48.9 29.4 23.9 -7.0 186 186 A S H < S+ 0 0 55 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.861 113.1 50.9 -59.1 -35.3 32.0 26.7 -7.6 187 187 A L H >< S+ 0 0 7 -4,-1.7 3,-2.0 1,-0.2 4,-0.4 0.955 106.9 50.8 -66.4 -51.6 31.5 27.6 -4.0 188 188 A M H >< S+ 0 0 46 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.734 99.3 66.7 -60.0 -23.5 32.0 24.1 -2.7 189 189 A A T 3< S+ 0 0 84 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.763 102.8 47.7 -68.5 -23.4 35.3 23.9 -4.7 190 190 A K T < S+ 0 0 61 -3,-2.0 2,-0.4 -4,-0.5 -1,-0.2 0.494 91.4 101.8 -93.6 -5.9 36.6 26.6 -2.3 191 191 A V S < S- 0 0 12 -3,-0.7 2,-0.1 -4,-0.4 -33,-0.1 -0.675 74.7-121.0 -86.4 129.4 35.4 24.8 0.8 192 192 A N - 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