==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-AUG-05 2AR1 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR T.L.ARAKAKI,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 20.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 2 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 0 1 0 0 0 1 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 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 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 7 A R > 0 0 216 0, 0.0 3,-2.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 -91.7 12.8 5.2 8.7 2 8 A A T 3 + 0 0 64 1,-0.3 4,-0.1 43,-0.1 47,-0.0 0.647 360.0 68.7 -74.1 -9.3 14.4 8.0 10.8 3 9 A E T 3 S+ 0 0 154 2,-0.1 2,-0.3 43,-0.0 -1,-0.3 0.690 97.2 64.2 -78.0 -16.1 16.3 9.4 7.8 4 10 A D S < S- 0 0 96 -3,-2.1 2,-0.3 45,-0.0 45,-0.1 -0.848 92.9-114.2-111.5 141.4 12.9 10.5 6.3 5 11 A I - 0 0 83 -2,-0.3 2,-0.2 43,-0.1 44,-0.1 -0.585 35.6-161.7 -73.1 132.2 10.7 13.1 7.9 6 12 A H - 0 0 60 -2,-0.3 44,-2.8 40,-0.2 2,-0.4 -0.697 7.1-130.4-114.1 170.7 7.3 11.6 9.1 7 13 A Y E +aB 50 140A 59 133,-0.5 133,-2.2 -2,-0.2 2,-0.3 -0.945 24.1 170.7-131.7 145.3 4.0 13.2 10.0 8 14 A W E -aB 51 139A 18 42,-1.9 44,-2.9 -2,-0.4 2,-0.4 -0.946 26.1-133.4-147.6 163.1 1.6 13.1 12.9 9 15 A L E -aB 52 138A 0 129,-2.7 129,-2.7 -2,-0.3 2,-0.5 -0.990 17.8-166.4-121.7 134.4 -1.4 14.5 14.5 10 16 A L E -aB 53 137A 0 42,-2.4 44,-2.7 -2,-0.4 2,-0.3 -0.949 11.6-145.4-120.2 126.5 -1.5 15.4 18.2 11 17 A K E +a 54 0A 43 125,-2.5 2,-0.3 -2,-0.5 44,-0.2 -0.689 22.7 169.8 -91.4 140.3 -4.8 16.2 19.9 12 18 A S E -a 55 0A 18 42,-2.3 44,-1.9 -2,-0.3 7,-0.1 -0.981 36.1-124.0-147.0 140.3 -5.0 18.8 22.7 13 19 A E >> - 0 0 56 -2,-0.3 4,-2.7 42,-0.2 3,-2.2 -0.763 24.8-143.7 -85.6 119.2 -8.0 20.3 24.4 14 20 A P T 34 S+ 0 0 25 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.673 95.1 62.3 -65.6 -16.0 -7.5 24.0 23.9 15 21 A H T 34 S+ 0 0 137 2,-0.2 3,-0.1 1,-0.1 43,-0.0 0.659 117.3 34.1 -76.6 -13.0 -8.9 25.2 27.3 16 22 A K T <4 S- 0 0 82 -3,-2.2 2,-0.3 1,-0.2 -1,-0.1 0.822 143.1 -8.2 -99.9 -51.9 -6.0 23.1 28.8 17 23 A F S < S- 0 0 35 -4,-2.7 -1,-0.2 4,-0.0 -2,-0.2 -0.861 72.8-179.7-156.5 110.0 -3.3 23.6 26.2 18 24 A S >> - 0 0 14 -4,-0.3 4,-1.8 -2,-0.3 3,-0.7 -0.542 48.3 -95.1-104.0 175.0 -3.8 25.3 22.8 19 25 A I H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.859 126.1 57.4 -56.6 -29.8 -1.7 26.2 19.9 20 26 A D H 3> S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.798 101.7 54.4 -74.1 -31.2 -1.2 29.6 21.5 21 27 A D H <> S+ 0 0 54 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.886 110.6 46.1 -62.8 -46.8 0.2 28.0 24.7 22 28 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 83,-0.4 0.934 112.0 51.7 -60.7 -44.4 2.8 26.2 22.5 23 29 A A H < S+ 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.911 112.0 46.1 -55.1 -45.4 3.6 29.4 20.7 24 30 A K H < S+ 0 0 178 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 118.6 40.9 -68.8 -42.6 4.1 31.2 24.0 25 31 A Q H < S- 0 0 101 -4,-2.4 2,-2.1 1,-0.1 -1,-0.2 0.693 90.2-153.7 -75.0 -22.6 6.3 28.4 25.4 26 32 A K S < S+ 0 0 160 -4,-2.6 79,-2.7 -5,-0.2 2,-0.3 -0.338 77.5 27.1 72.6 -51.7 8.1 27.9 22.1 27 33 A T E S+C 104 0A 75 -2,-2.1 77,-0.2 77,-0.2 75,-0.0 -0.978 71.7 174.1-129.2 155.5 8.8 24.2 23.1 28 34 A S E -C 103 0A 7 75,-2.3 75,-2.8 -2,-0.3 2,-0.1 -0.992 34.2-113.8-153.4 143.9 6.9 21.9 25.3 29 35 A P E -C 102 0A 35 0, 0.0 2,-1.2 0, 0.0 73,-0.3 -0.523 35.2-121.7 -66.4 151.7 7.0 18.3 26.4 30 36 A W + 0 0 12 71,-3.4 3,-0.5 -2,-0.1 71,-0.2 -0.624 49.9 173.8 -95.9 75.4 3.9 16.4 25.2 31 37 A D + 0 0 57 -2,-1.2 69,-0.0 1,-0.2 70,-0.0 -0.292 41.3 41.0 -83.1 161.1 2.7 15.3 28.6 32 38 A G + 0 0 15 1,-0.3 2,-0.5 54,-0.1 -1,-0.2 0.518 60.3 145.8 87.8 9.3 -0.4 13.6 29.7 33 39 A V + 0 0 9 -3,-0.5 -1,-0.3 66,-0.2 66,-0.2 -0.715 15.3 171.7 -77.3 120.2 -1.0 11.0 27.0 34 40 A R + 0 0 65 -2,-0.5 2,-0.5 64,-0.1 -1,-0.1 -0.055 44.0 97.9-126.7 29.2 -2.5 8.0 28.8 35 41 A N > - 0 0 26 1,-0.1 4,-2.3 99,-0.0 5,-0.2 -0.980 65.9-144.8-115.2 129.6 -3.5 5.7 25.9 36 42 A Y H > S+ 0 0 120 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.855 97.6 52.8 -70.6 -36.5 -0.9 3.1 25.2 37 43 A A H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 112.6 47.3 -58.8 -45.4 -1.3 3.1 21.4 38 44 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.883 109.8 52.7 -63.0 -43.3 -0.7 6.8 21.4 39 45 A R H X S+ 0 0 45 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.885 108.7 50.3 -53.2 -45.1 2.2 6.4 23.7 40 46 A N H X S+ 0 0 64 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.893 106.0 55.5 -67.0 -39.0 3.7 3.9 21.2 41 47 A N H >X S+ 0 0 37 -4,-2.3 3,-0.9 2,-0.2 4,-0.5 0.954 107.1 51.1 -55.7 -42.9 3.2 6.4 18.4 42 48 A M H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 31,-0.4 0.895 106.1 53.4 -64.3 -36.2 5.2 8.9 20.4 43 49 A R H 3< S+ 0 0 138 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.731 108.1 53.3 -66.2 -23.4 8.0 6.2 20.8 44 50 A A H << S+ 0 0 52 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.473 88.3 103.8 -86.8 -7.6 7.9 6.0 17.0 45 51 A M << - 0 0 3 -3,-1.2 28,-0.3 -4,-0.5 2,-0.3 -0.521 56.1-155.6 -77.8 150.1 8.4 9.7 16.4 46 52 A S > - 0 0 16 -2,-0.2 3,-2.4 26,-0.1 23,-0.2 -0.915 31.3 -84.8-120.6 159.2 11.8 11.1 15.3 47 53 A V T 3 S+ 0 0 84 -2,-0.3 23,-0.2 1,-0.3 3,-0.1 -0.246 116.9 27.0 -63.1 137.8 13.4 14.5 15.7 48 54 A G T 3 S+ 0 0 12 21,-3.0 -1,-0.3 1,-0.3 22,-0.1 0.208 84.9 143.7 91.7 -17.5 12.2 16.7 12.8 49 55 A D < - 0 0 1 -3,-2.4 20,-2.8 -44,-0.1 -1,-0.3 -0.271 50.9-118.2 -53.8 143.8 9.0 14.9 12.3 50 56 A K E -aD 7 68A 53 -44,-2.8 -42,-1.9 18,-0.2 2,-0.4 -0.615 27.3-158.8 -92.1 149.0 6.1 17.3 11.4 51 57 A V E -aD 8 67A 1 16,-2.5 16,-2.8 -2,-0.3 2,-0.5 -0.989 15.2-146.6-136.5 125.3 3.0 17.6 13.6 52 58 A L E -aD 9 66A 0 -44,-2.9 -42,-2.4 -2,-0.4 2,-0.8 -0.811 24.0-141.3 -79.5 122.6 -0.6 18.8 13.0 53 59 A F E -aD 10 65A 0 12,-2.7 11,-3.1 -2,-0.5 12,-1.0 -0.803 24.0-166.6 -90.7 113.5 -1.7 20.6 16.2 54 60 A Y E -aD 11 63A 13 -44,-2.7 -42,-2.3 -2,-0.8 2,-0.6 -0.891 15.4-144.1-113.1 122.2 -5.4 19.5 16.6 55 61 A H E -aD 12 62A 18 7,-2.8 7,-1.6 -2,-0.5 2,-0.2 -0.755 27.6-176.2 -82.8 120.1 -7.9 21.1 19.0 56 62 A S + 0 0 20 -44,-1.9 3,-0.1 -2,-0.6 4,-0.1 -0.714 52.9 24.3-111.8 159.9 -10.2 18.5 20.4 57 63 A N S S+ 0 0 114 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.925 97.7 105.4 57.4 54.4 -13.3 18.6 22.7 58 64 A T S S- 0 0 61 -3,-0.2 -1,-0.2 -45,-0.1 -45,-0.0 -0.942 86.2 -92.0-153.4 171.3 -14.1 22.2 21.9 59 65 A K S S+ 0 0 184 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.805 120.8 30.8 -59.2 -38.5 -16.6 24.3 19.9 60 66 A E S S- 0 0 104 -4,-0.1 -1,-0.3 2,-0.1 -5,-0.2 -0.694 81.5-174.4-125.1 74.3 -14.4 24.5 16.8 61 67 A P + 0 0 37 0, 0.0 54,-2.1 0, 0.0 2,-0.3 -0.470 34.7 87.8 -67.7 148.6 -12.5 21.3 16.6 62 68 A G E S-DE 55 114A 0 -7,-1.6 -7,-2.8 52,-0.3 2,-0.5 -0.949 81.4 -33.3 157.5-170.5 -9.9 21.0 13.9 63 69 A V E +DE 54 113A 0 50,-1.9 50,-3.1 -2,-0.3 -9,-0.3 -0.692 46.3 177.3 -79.0 117.9 -6.3 21.7 13.0 64 70 A A E - 0 0 2 -11,-3.1 45,-2.5 -2,-0.5 2,-0.3 0.575 56.1 -49.1 -94.6 -16.1 -5.0 24.9 14.7 65 71 A G E -DE 53 108A 0 -12,-1.0 -12,-2.7 43,-0.2 2,-0.3 -0.976 61.4 -72.6 168.0-162.2 -1.4 25.0 13.6 66 72 A L E +DE 52 107A 12 41,-2.2 40,-2.6 -2,-0.3 41,-1.9 -0.938 30.5 177.2-135.2 143.0 1.8 23.1 13.2 67 73 A A E -DE 51 105A 0 -16,-2.8 -16,-2.5 -2,-0.3 2,-0.3 -0.816 16.7-139.6-133.3-179.1 4.6 21.8 15.4 68 74 A E E -DE 50 104A 41 36,-1.8 36,-2.5 -2,-0.3 2,-0.4 -0.997 25.1-111.5-145.9 135.4 7.8 19.8 15.0 69 75 A V E + E 0 103A 0 -20,-2.8 -21,-3.0 -2,-0.3 34,-0.3 -0.606 35.8 171.0 -69.5 128.5 9.3 17.1 17.1 70 76 A V E + 0 0 51 32,-2.6 2,-0.3 -2,-0.4 33,-0.2 0.578 61.3 29.6-116.0 -8.0 12.5 18.3 18.9 71 77 A R E S- E 0 102A 131 31,-1.2 31,-1.3 -25,-0.1 -1,-0.3 -0.980 79.9-112.5-146.1 143.9 13.4 15.5 21.3 72 78 A L E - 0 0 86 -2,-0.3 28,-0.1 29,-0.2 -29,-0.1 -0.249 55.9 -66.5 -67.4 161.0 12.8 11.8 21.3 73 79 A A E + 0 0 33 -31,-0.4 2,-0.3 -28,-0.3 28,-0.2 -0.008 59.0 166.5 -57.6 134.3 10.5 10.1 23.8 74 80 A Y E - E 0 100A 59 26,-2.2 26,-2.8 -3,-0.1 -1,-0.0 -0.905 47.4 -57.7-139.2 172.8 11.4 10.1 27.4 75 81 A D E - E 0 99A 64 -2,-0.3 2,-1.3 24,-0.2 24,-0.3 -0.251 46.6-129.8 -61.5 130.8 9.6 9.3 30.7 76 82 A D > - 0 0 0 22,-2.6 3,-1.9 1,-0.2 4,-0.2 -0.696 22.2-170.3 -81.8 94.3 6.5 11.4 31.2 77 83 A F G > S+ 0 0 126 -2,-1.3 3,-1.5 1,-0.3 4,-0.3 0.602 73.9 79.5 -64.0 -13.2 7.1 12.6 34.8 78 84 A T G > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.798 79.6 71.1 -64.4 -21.6 3.6 14.0 35.1 79 85 A A G < S+ 0 0 0 -3,-1.9 9,-2.8 1,-0.3 12,-0.3 0.754 101.3 44.9 -61.9 -25.3 2.5 10.4 35.8 80 86 A L G < S+ 0 0 72 -3,-1.5 2,-1.0 -4,-0.2 -1,-0.3 0.407 86.9 104.3 -96.4 -2.5 4.3 10.8 39.2 81 87 A D X - 0 0 68 -3,-1.4 3,-1.9 -4,-0.3 6,-0.2 -0.724 55.7-162.6 -86.7 106.9 2.8 14.3 39.9 82 88 A K T 3 S+ 0 0 149 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.656 89.3 55.3 -62.9 -18.5 0.2 13.7 42.5 83 89 A T T 3 S+ 0 0 129 -3,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.467 91.8 98.9 -89.7 -7.3 -1.4 17.1 41.8 84 90 A S S X S- 0 0 26 -3,-1.9 3,-1.5 -6,-0.2 -52,-0.0 -0.597 73.3-137.7 -85.2 139.7 -1.8 16.3 38.1 85 91 A E T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.739 110.0 58.1 -49.9 -31.9 -4.9 15.2 36.2 86 92 A Y T 3 S+ 0 0 56 -5,-0.1 -1,-0.2 -8,-0.1 -54,-0.1 0.266 76.7 138.2 -93.3 14.5 -2.5 12.9 34.5 87 93 A F < - 0 0 63 -3,-1.5 -8,-0.2 -6,-0.2 -7,-0.2 -0.271 40.3-156.2 -56.7 138.1 -1.3 11.2 37.7 88 94 A D > - 0 0 14 -9,-2.8 3,-2.2 -10,-0.1 -1,-0.1 -0.944 4.8-155.2-122.8 105.2 -0.9 7.4 37.4 89 95 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.598 93.3 46.4 -51.0 -20.0 -1.3 5.7 40.9 90 96 A K T 3 S+ 0 0 145 2,-0.1 2,-0.3 -11,-0.0 -10,-0.1 0.242 85.0 107.0-115.4 8.3 0.7 2.8 39.7 91 97 A A < - 0 0 16 -3,-2.2 2,-0.3 -12,-0.3 5,-0.3 -0.651 50.3-161.4 -85.3 151.0 3.7 4.4 37.9 92 98 A T - 0 0 58 3,-1.8 -2,-0.1 -2,-0.3 -13,-0.1 -0.846 34.7-112.8-125.5 159.0 7.1 4.4 39.6 93 99 A K S S+ 0 0 162 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.924 125.6 33.9 -47.9 -44.6 10.4 6.3 39.2 94 100 A E S S+ 0 0 164 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.663 126.6 38.9 -92.8 -22.3 11.8 3.0 37.9 95 101 A K + 0 0 168 -5,-0.0 -3,-1.8 0, 0.0 -1,-0.2 -0.704 68.5 150.8-132.7 77.6 8.7 1.6 36.1 96 102 A N - 0 0 8 -3,-0.3 -20,-0.1 -5,-0.3 -5,-0.1 -0.942 23.6-170.6-106.9 110.0 6.9 4.5 34.4 97 103 A P + 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.776 59.1 94.5 -74.4 -18.5 5.1 3.2 31.3 98 104 A W + 0 0 8 -22,-0.2 -22,-2.6 -64,-0.0 2,-0.3 -0.493 52.4 179.5 -85.1 135.8 4.3 6.7 30.1 99 105 A K E - E 0 75A 46 -24,-0.3 2,-0.3 -2,-0.2 -24,-0.2 -0.912 3.8-173.6-131.2 154.7 6.6 8.4 27.6 100 106 A M E - E 0 74A 0 -26,-2.8 -26,-2.2 -2,-0.3 2,-0.2 -0.995 14.6-142.2-153.2 149.2 6.6 11.8 25.8 101 107 A V E - 0 0 0 -2,-0.3 -71,-3.4 -28,-0.2 2,-0.4 -0.441 24.9-118.8 -92.3 166.2 8.4 13.8 23.1 102 108 A D E -CE 29 71A 31 -31,-1.3 -32,-2.6 -73,-0.3 -31,-1.2 -0.925 30.9-165.5-100.3 143.2 9.2 17.5 23.1 103 109 A V E -CE 28 69A 0 -75,-2.8 -75,-2.3 -2,-0.4 2,-0.3 -0.898 9.5-142.5-127.9 157.8 7.7 19.6 20.3 104 110 A K E -CE 27 68A 85 -36,-2.5 -36,-1.8 -2,-0.3 -77,-0.2 -0.892 26.7-107.6-116.9 143.7 8.4 23.1 19.0 105 111 A F E + E 0 67A 62 -79,-2.7 -38,-0.3 -83,-0.4 3,-0.1 -0.549 41.1 163.3 -61.1 141.2 5.9 25.6 17.7 106 112 A V E + 0 0 52 -40,-2.6 2,-0.3 1,-0.3 -39,-0.2 0.681 59.5 0.6-125.3 -48.0 6.0 26.1 14.0 107 113 A A E - E 0 66A 25 -41,-1.9 -41,-2.2 2,-0.0 2,-0.5 -0.996 43.6-155.3-153.4 144.8 2.7 27.9 12.9 108 114 A R E - E 0 65A 113 -2,-0.3 -43,-0.2 -43,-0.2 2,-0.2 -0.990 28.9-140.9-117.8 115.2 -0.5 29.3 14.3 109 115 A W E - 0 0 14 -45,-2.5 -90,-0.0 -2,-0.5 -2,-0.0 -0.564 15.4-122.0 -85.0 148.8 -3.1 29.3 11.7 110 116 A D E S+ 0 0 118 -2,-0.2 2,-0.3 42,-0.1 -1,-0.1 0.835 95.5 7.9 -59.1 -37.8 -5.5 32.4 11.5 111 117 A T E S- 0 0 81 -48,-0.1 2,-0.1 41,-0.1 -1,-0.1 -0.960 93.8 -95.3-139.9 151.0 -8.6 30.2 12.0 112 118 A V E - 0 0 34 -2,-0.3 2,-0.8 1,-0.1 -48,-0.2 -0.404 31.9-123.7 -63.1 142.5 -8.9 26.6 12.8 113 119 A L E - E 0 63A 6 -50,-3.1 -50,-1.9 -2,-0.1 -48,-0.1 -0.837 43.9-125.5 -86.2 107.8 -9.3 24.2 9.8 114 120 A T E > - E 0 62A 36 -2,-0.8 4,-1.6 -52,-0.2 -52,-0.3 -0.127 6.4-125.9 -71.7 159.0 -12.5 22.6 11.0 115 121 A L H > S+ 0 0 40 -54,-2.1 4,-2.2 1,-0.2 5,-0.2 0.881 111.2 61.7 -58.4 -41.5 -13.2 18.9 11.4 116 122 A H H 4 S+ 0 0 127 -55,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.923 107.1 44.2 -54.8 -46.4 -16.2 19.3 9.1 117 123 A E H >4 S+ 0 0 64 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.854 108.5 56.7 -67.4 -33.8 -13.9 20.4 6.3 118 124 A L H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.851 107.6 49.5 -65.4 -35.7 -11.4 17.6 7.1 119 125 A K T 3< S+ 0 0 119 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.340 102.6 65.0 -79.8 1.8 -14.2 15.1 6.6 120 126 A S T < S+ 0 0 59 -3,-1.4 2,-0.4 -5,-0.2 -1,-0.2 -0.084 83.4 85.4-118.6 31.6 -15.2 16.7 3.2 121 127 A R X - 0 0 60 -3,-0.7 3,-1.4 1,-0.1 4,-0.3 -0.988 64.7-148.2-134.3 130.8 -12.1 15.9 1.2 122 128 A R G > S+ 0 0 197 -2,-0.4 3,-1.7 1,-0.3 4,-0.2 0.875 98.4 63.5 -60.5 -36.0 -11.5 12.7 -0.7 123 129 A E G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.667 106.0 44.4 -64.6 -17.9 -7.7 13.0 -0.0 124 130 A L G X S+ 0 0 0 -3,-1.4 3,-2.1 -6,-0.2 -1,-0.3 0.364 77.6 110.1-109.5 1.9 -8.3 12.7 3.7 125 131 A Q T < S+ 0 0 111 -3,-1.7 -1,-0.1 -4,-0.3 -2,-0.1 0.723 80.6 48.1 -51.1 -31.9 -10.9 9.8 3.7 126 132 A K T 3 S+ 0 0 188 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.206 78.3 135.1 -97.1 4.6 -8.4 7.3 5.3 127 133 A M X> - 0 0 3 -3,-2.1 3,-1.3 1,-0.1 4,-0.9 -0.380 59.4-133.6 -55.9 139.0 -7.1 9.5 8.2 128 134 A A H 3> S+ 0 0 14 11,-0.5 4,-2.6 1,-0.3 -1,-0.1 0.741 100.6 79.0 -57.4 -31.4 -6.8 7.8 11.5 129 135 A L H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.865 97.7 41.1 -45.9 -37.6 -8.5 10.8 12.9 130 136 A F H <4 S+ 0 0 39 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.857 121.0 41.0 -86.1 -34.6 -11.8 9.5 11.6 131 137 A T H < S+ 0 0 97 -4,-0.9 2,-0.7 1,-0.2 -2,-0.2 0.934 111.1 48.3 -71.9 -56.2 -11.3 5.8 12.6 132 138 A Q < + 0 0 81 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 -0.806 54.4 177.7-113.6 101.6 -9.7 5.8 16.0 133 139 A R S S+ 0 0 203 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.897 79.9 46.5 -80.2 -35.4 -11.1 8.0 18.7 134 140 A R S S+ 0 0 140 1,-0.1 2,-1.3 2,-0.0 -1,-0.2 0.581 85.7 105.6 -81.7 -3.2 -9.0 7.4 21.8 135 141 A L + 0 0 4 -3,-0.5 -3,-0.1 1,-0.2 3,-0.1 -0.600 40.9 171.5 -86.8 99.1 -5.8 7.7 19.7 136 142 A S S S+ 0 0 27 -2,-1.3 -125,-2.5 1,-0.2 2,-0.4 0.533 71.7 49.3 -89.0 -8.0 -4.5 11.1 20.7 137 143 A V E S+B 10 0A 0 -127,-0.2 -127,-0.2 -3,-0.1 -96,-0.2 -0.965 79.9 175.5-130.7 111.1 -1.2 10.7 18.9 138 144 A Q E -B 9 0A 1 -129,-2.7 -129,-2.7 -2,-0.4 2,-0.2 -0.921 31.9-115.4-124.2 142.0 -1.8 9.5 15.2 139 145 A P E -B 8 0A 62 0, 0.0 -11,-0.5 0, 0.0 2,-0.4 -0.519 27.6-160.1 -72.7 143.1 0.2 8.9 12.1 140 146 A V E -B 7 0A 10 -133,-2.2 -133,-0.5 -2,-0.2 2,-0.1 -0.987 17.2-123.9-118.4 134.0 -0.5 11.1 9.2 141 147 A S > - 0 0 45 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.456 25.6-112.3 -73.5 163.3 0.4 10.1 5.6 142 148 A A H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.863 119.9 47.0 -58.3 -40.9 2.6 12.4 3.6 143 149 A S H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.807 109.7 52.2 -72.3 -37.1 -0.3 13.2 1.2 144 150 A E H > S+ 0 0 17 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.930 112.0 46.5 -60.9 -51.9 -2.7 13.8 4.1 145 151 A Y H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.944 113.8 49.4 -50.8 -54.2 -0.2 16.3 5.6 146 152 A A H X S+ 0 0 57 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.3 48.3 -56.8 -48.7 0.2 18.0 2.2 147 153 A Y H X S+ 0 0 29 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.922 110.8 51.1 -62.8 -40.2 -3.6 18.3 1.6 148 154 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 109.5 48.7 -65.7 -43.1 -4.2 19.8 5.0 149 155 A L H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.894 110.7 53.0 -65.1 -39.1 -1.5 22.4 4.6 150 156 A R H X S+ 0 0 113 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.893 106.5 53.0 -59.5 -46.5 -3.0 23.2 1.1 151 157 A M H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.881 105.3 53.2 -57.5 -40.5 -6.4 23.6 2.8 152 158 A N H X S+ 0 0 22 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.919 109.8 49.2 -60.7 -42.1 -5.0 26.2 5.3 153 159 A E H < S+ 0 0 110 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.913 110.1 49.9 -64.5 -41.7 -3.6 28.2 2.4 154 160 A E H >< S+ 0 0 63 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.912 112.4 48.3 -62.1 -41.9 -7.0 28.1 0.5 155 161 A Q H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.5 56.5 -67.0 -34.3 -8.7 29.3 3.7 156 162 A Q T 3< 0 0 66 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.516 360.0 360.0 -79.0 -3.0 -6.2 32.1 4.2 157 163 A R < 0 0 211 -3,-1.1 -4,-0.0 -4,-0.4 -3,-0.0 -0.801 360.0 360.0-103.3 360.0 -7.0 33.4 0.8