==== 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 METAL BINDING PROTEIN 15-APR-08 3CU3 . COMPND 2 MOLECULE: DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE F . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 0 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A T 0 0 99 0, 0.0 2,-0.2 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 142.1 10.9 10.2 -23.1 2 10 A T > - 0 0 73 79,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.639 360.0-114.0-113.6 170.1 12.2 6.8 -23.9 3 11 A T H > S+ 0 0 123 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 120.4 59.7 -61.2 -36.2 13.7 4.8 -26.7 4 12 A A H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 102.1 51.0 -63.3 -42.5 10.4 2.8 -26.3 5 13 A D H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 112.7 45.5 -58.6 -51.8 8.3 5.9 -27.0 6 14 A E H X S+ 0 0 66 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.893 110.9 51.8 -64.6 -41.5 10.2 6.6 -30.2 7 15 A S H X S+ 0 0 77 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 108.8 52.9 -60.2 -38.9 10.1 2.9 -31.4 8 16 A A H X S+ 0 0 37 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.918 110.5 46.0 -65.5 -43.2 6.3 2.9 -30.9 9 17 A I H < S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 3,-0.5 0.924 113.0 49.3 -67.4 -42.4 5.8 6.0 -33.0 10 18 A R H >X S+ 0 0 96 -4,-2.2 3,-1.4 1,-0.2 4,-0.9 0.879 103.4 61.7 -63.5 -35.2 8.0 4.8 -35.8 11 19 A A H 3X S+ 0 0 50 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.809 88.5 70.8 -66.6 -32.7 6.3 1.4 -35.8 12 20 A F H 3X S+ 0 0 25 -4,-1.1 4,-1.9 -3,-0.5 -1,-0.3 0.836 95.8 53.2 -45.7 -38.1 3.0 3.1 -36.8 13 21 A H H <> S+ 0 0 16 -3,-1.4 4,-2.3 -4,-0.5 -1,-0.2 0.909 112.0 44.0 -76.1 -35.3 4.4 3.8 -40.3 14 22 A R H X S+ 0 0 102 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.884 109.8 55.7 -71.8 -43.3 5.4 0.2 -40.8 15 23 A Q H X S+ 0 0 73 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 113.9 42.5 -52.6 -42.4 2.0 -1.1 -39.4 16 24 A X H X S+ 0 0 8 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.912 112.7 49.8 -74.3 -45.4 0.3 1.1 -42.0 17 25 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 52,-0.3 0.951 115.2 45.2 -59.3 -48.1 2.5 0.3 -45.0 18 26 A D H X S+ 0 0 74 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.874 113.0 49.3 -68.0 -38.2 2.2 -3.5 -44.3 19 27 A A H <>S+ 0 0 0 -4,-1.9 5,-3.3 -5,-0.3 4,-0.4 0.884 110.5 50.8 -67.1 -39.7 -1.6 -3.3 -43.7 20 28 A W H ><5S+ 0 0 42 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.975 108.7 53.5 -59.0 -50.2 -2.1 -1.4 -46.9 21 29 A N H 3<5S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.724 113.4 40.8 -64.3 -19.2 -0.1 -4.0 -48.7 22 30 A R T 3<5S- 0 0 149 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.309 116.4-113.2-109.2 8.9 -2.2 -6.8 -47.4 23 31 A G T < 5 + 0 0 24 -3,-2.2 2,-0.8 -4,-0.4 -3,-0.2 0.797 62.2 151.7 71.9 33.7 -5.4 -4.9 -48.0 24 32 A S >< - 0 0 29 -5,-3.3 4,-1.8 1,-0.2 -1,-0.2 -0.819 26.6-177.8-106.6 108.7 -6.4 -4.5 -44.4 25 33 A G H > S+ 0 0 0 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.898 88.8 49.7 -66.6 -41.3 -8.4 -1.5 -43.4 26 34 A E H > S+ 0 0 158 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.882 110.6 50.8 -65.1 -38.0 -8.5 -2.3 -39.8 27 35 A G H 4 S+ 0 0 8 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.873 110.6 49.7 -62.2 -38.2 -4.7 -2.9 -39.8 28 36 A F H < S+ 0 0 9 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.5 43.2 -72.7 -35.8 -4.2 0.5 -41.4 29 37 A A H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.573 87.0 97.4 -83.1 -12.5 -6.5 2.3 -38.9 30 38 A A T 3< S+ 0 0 48 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.784 77.7 54.0 -56.6 -42.0 -5.1 0.6 -35.8 31 39 A P T 3 S+ 0 0 9 0, 0.0 90,-2.4 0, 0.0 -1,-0.3 0.648 93.5 97.1 -69.2 -11.1 -2.6 3.3 -34.7 32 40 A F E < S-a 121 0A 0 -3,-2.1 90,-0.2 88,-0.2 17,-0.1 -0.506 72.0-124.4 -86.2 148.1 -5.3 5.9 -34.7 33 41 A S E > - 0 0 3 88,-2.5 16,-1.6 -2,-0.2 3,-0.8 -0.244 31.2-105.7 -76.0 170.2 -7.3 7.2 -31.8 34 42 A E E 3 S+ 0 0 149 14,-0.2 16,-0.1 1,-0.2 -1,-0.1 0.638 121.4 40.9 -73.7 -11.2 -11.1 7.2 -31.7 35 43 A T E 3 S+ 0 0 101 13,-0.1 -1,-0.2 2,-0.1 87,-0.1 0.353 86.0 138.3-112.7 -1.2 -11.1 10.9 -32.3 36 44 A A E < - 0 0 0 -3,-0.8 12,-3.5 85,-0.2 2,-0.6 -0.154 47.3-135.3 -57.4 143.5 -8.3 11.3 -34.9 37 45 A D E -aB 123 47A 71 85,-2.3 87,-2.3 10,-0.2 2,-0.5 -0.852 20.3-174.9 -95.1 120.4 -8.5 13.5 -37.9 38 46 A F E -aB 124 46A 5 8,-2.7 8,-3.2 -2,-0.6 2,-0.5 -0.985 3.2-168.9-115.9 123.0 -7.3 11.9 -41.2 39 47 A I E -aB 125 45A 57 85,-2.6 87,-3.1 -2,-0.5 6,-0.2 -0.963 10.8-149.1-117.1 116.1 -7.2 14.2 -44.2 40 48 A T > - 0 0 11 4,-2.6 3,-1.7 -2,-0.5 87,-0.1 -0.279 33.1 -93.9 -79.6 174.8 -6.7 12.6 -47.6 41 49 A F T 3 S+ 0 0 110 1,-0.3 87,-0.2 2,-0.2 -1,-0.1 0.713 124.7 45.0 -69.2 -23.6 -4.9 14.2 -50.6 42 50 A E T 3 S- 0 0 104 85,-0.1 -1,-0.3 2,-0.0 85,-0.1 0.328 128.1 -91.6-104.7 7.3 -8.0 15.6 -52.2 43 51 A G < + 0 0 53 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.659 69.7 154.2 95.8 16.6 -9.5 16.9 -48.9 44 52 A T - 0 0 44 1,-0.0 -4,-2.6 2,-0.0 2,-0.6 -0.619 32.1-147.3 -74.2 134.6 -11.6 14.0 -47.6 45 53 A H E -B 39 0A 95 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.938 13.6-171.6-109.2 117.9 -11.9 14.1 -43.8 46 54 A L E -B 38 0A 8 -8,-3.2 -8,-2.7 -2,-0.6 2,-0.7 -0.905 10.3-152.4-106.6 134.7 -12.2 10.9 -41.8 47 55 A K E > -B 37 0A 53 -2,-0.4 4,-0.5 -10,-0.2 -10,-0.2 -0.892 53.4 -12.4-115.4 106.6 -13.0 11.1 -38.2 48 56 A G H > S- 0 0 3 -12,-3.5 4,-2.7 -2,-0.7 3,-0.3 0.204 83.9 -71.8 91.2 152.2 -11.7 8.3 -35.9 49 57 A R H > S+ 0 0 66 -16,-1.6 4,-2.7 1,-0.2 5,-0.2 0.836 126.1 52.0 -43.9 -45.0 -10.2 4.9 -36.1 50 58 A K H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 112.1 43.6 -68.0 -47.3 -13.5 3.2 -37.3 51 59 A E H X S+ 0 0 96 -4,-0.5 4,-2.9 -3,-0.3 5,-0.3 0.906 113.2 53.1 -59.8 -44.8 -14.2 5.6 -40.2 52 60 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.945 112.4 45.5 -59.3 -43.6 -10.5 5.5 -41.2 53 61 A A H X S+ 0 0 9 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.890 113.8 48.3 -65.8 -39.6 -10.8 1.7 -41.3 54 62 A A H X S+ 0 0 66 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.946 112.8 47.5 -69.6 -46.6 -14.1 1.6 -43.2 55 63 A F H X S+ 0 0 71 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.926 115.4 44.9 -58.6 -48.0 -12.9 4.1 -45.8 56 64 A H H X S+ 0 0 10 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.871 108.8 54.6 -72.2 -35.6 -9.6 2.3 -46.4 57 65 A Q H X S+ 0 0 65 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.972 110.3 47.9 -59.2 -48.4 -11.1 -1.2 -46.6 58 66 A Q H X S+ 0 0 137 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.905 113.8 47.8 -57.1 -39.1 -13.4 0.0 -49.3 59 67 A A H ><>S+ 0 0 12 -4,-1.8 5,-2.4 1,-0.2 3,-1.0 0.918 108.4 52.3 -70.0 -43.8 -10.5 1.7 -51.1 60 68 A F H 3<5S+ 0 0 10 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.762 111.1 50.0 -64.2 -26.4 -8.3 -1.4 -50.9 61 69 A D H 3<5S+ 0 0 90 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.628 131.7 3.1 -85.1 -14.9 -11.2 -3.4 -52.4 62 70 A T T X<5S+ 0 0 81 -3,-1.0 3,-1.6 -4,-0.7 -3,-0.2 0.342 125.4 29.3-131.3 -97.0 -11.7 -0.9 -55.3 63 71 A V T 3 5S+ 0 0 121 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.605 131.4 27.9 -63.1 -17.6 -9.8 2.3 -56.3 64 72 A V T > S-C 83 0A 78 3,-1.8 3,-1.4 -3,-0.1 -1,-0.3 -0.877 85.1 -71.4-153.8-170.1 7.2 17.1 -25.2 81 89 A S T 3 S+ 0 0 71 1,-0.3 -79,-0.1 -2,-0.3 3,-0.1 0.608 131.3 34.5 -70.7 -7.3 6.9 13.8 -23.4 82 90 A Q T 3 S+ 0 0 117 1,-0.2 32,-2.0 -81,-0.1 2,-0.3 0.160 112.1 60.6-129.9 9.7 3.4 13.3 -24.6 83 91 A L E < +CD 80 113A 52 -3,-1.4 -4,-2.3 30,-0.2 -3,-1.8 -0.948 54.4 171.5-148.7 126.4 3.4 14.8 -28.1 84 92 A A E -CD 78 112A 0 28,-2.6 28,-3.0 -2,-0.3 2,-0.4 -0.967 20.4-146.8-132.8 151.4 5.4 14.0 -31.2 85 93 A L E -CD 77 111A 41 -8,-2.7 -8,-2.7 -2,-0.3 2,-0.4 -0.953 17.5-175.5-112.6 134.7 5.5 15.0 -34.9 86 94 A X E -CD 76 110A 0 24,-2.3 24,-3.6 -2,-0.4 2,-0.5 -0.984 9.9-163.4-136.4 123.7 6.5 12.5 -37.5 87 95 A L E -CD 75 109A 28 -12,-2.5 -13,-2.9 -2,-0.4 -12,-1.8 -0.906 14.9-169.9-104.5 132.9 7.0 13.1 -41.2 88 96 A V E -C 73 0A 0 20,-2.3 2,-0.5 -2,-0.5 -15,-0.2 -0.949 19.4-135.4-127.8 141.6 7.0 10.1 -43.4 89 97 A V E -C 72 0A 20 -17,-2.7 -17,-1.8 -2,-0.4 2,-0.4 -0.854 28.1-176.8 -92.8 128.1 7.9 9.6 -47.1 90 98 A I E -CE 71 106A 14 16,-2.9 16,-2.5 -2,-0.5 2,-0.3 -0.989 7.7-177.0-127.6 138.5 5.5 7.4 -49.0 91 99 A R E -C 70 0A 72 -21,-3.1 -21,-2.4 -2,-0.4 2,-0.4 -0.930 13.2-144.8-129.3 156.9 5.5 6.2 -52.6 92 100 A V E -C 69 0A 8 9,-0.4 9,-2.8 -2,-0.3 2,-0.6 -0.988 5.5-155.6-129.3 127.3 3.0 4.1 -54.5 93 101 A I E -CF 68 100A 29 -25,-2.6 -25,-2.0 -2,-0.4 7,-0.2 -0.913 25.2-137.4 -95.7 120.8 3.4 1.5 -57.2 94 102 A L > - 0 0 43 -2,-0.6 3,-2.1 5,-0.5 5,-0.1 -0.443 38.4 -78.4 -78.9 152.3 0.3 1.2 -59.3 95 103 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 -0.204 118.2 19.1 -56.9 136.8 -1.0 -2.2 -60.2 96 104 A G T 3 S+ 0 0 84 1,-0.3 2,-0.2 -30,-0.3 -2,-0.1 0.324 106.2 107.7 89.1 -7.8 0.9 -3.9 -63.1 97 105 A Q < - 0 0 123 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.1 -0.580 54.8-160.8-102.9 162.6 3.8 -1.6 -62.6 98 106 A T S S+ 0 0 136 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.525 75.9 57.8-113.7 -13.3 7.3 -2.2 -61.2 99 107 A E S S- 0 0 63 -5,-0.1 -5,-0.5 -7,-0.0 2,-0.2 -0.791 89.1 -98.9-116.4 160.0 8.2 1.4 -60.4 100 108 A T B -F 93 0A 48 -2,-0.3 2,-0.6 -7,-0.2 -7,-0.3 -0.498 32.4-123.9 -76.5 144.2 6.5 4.1 -58.3 101 109 A S > - 0 0 35 -9,-2.8 3,-2.4 -2,-0.2 -9,-0.4 -0.825 7.9-148.2 -88.8 121.0 4.3 6.7 -59.9 102 110 A A G > S+ 0 0 53 -2,-0.6 3,-1.7 1,-0.3 27,-0.1 0.791 95.2 71.8 -57.8 -30.9 5.5 10.3 -59.1 103 111 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -11,-0.1 25,-0.0 0.690 100.7 46.1 -57.1 -20.2 1.8 11.4 -59.2 104 112 A R G < S+ 0 0 72 -3,-2.4 -1,-0.3 -12,-0.2 -2,-0.2 0.339 77.2 135.2-108.7 4.6 1.4 9.5 -55.9 105 113 A D < - 0 0 23 -3,-1.7 24,-2.4 -4,-0.2 2,-0.3 -0.360 34.1-176.9 -61.4 130.0 4.4 10.8 -54.0 106 114 A S B -EG 90 128A 2 -16,-2.5 -16,-2.9 22,-0.3 22,-0.2 -0.944 31.5-167.6-134.1 149.9 3.4 11.7 -50.5 107 115 A L - 0 0 46 20,-1.6 -18,-0.2 -2,-0.3 20,-0.1 -0.536 25.8-167.4-130.1 65.7 4.9 13.3 -47.4 108 116 A P - 0 0 4 0, 0.0 -20,-2.3 0, 0.0 2,-0.6 -0.222 12.4-142.4 -61.2 142.7 2.3 12.7 -44.6 109 117 A L E -DH 87 125A 61 16,-1.8 16,-1.6 -22,-0.2 2,-0.5 -0.926 13.4-158.7-101.9 121.4 2.6 14.5 -41.2 110 118 A Y E -DH 86 124A 5 -24,-3.6 -24,-2.3 -2,-0.6 2,-0.6 -0.874 4.5-158.5 -97.2 130.4 1.6 12.4 -38.2 111 119 A V E -DH 85 123A 45 12,-3.2 11,-2.9 -2,-0.5 12,-1.5 -0.955 19.8-171.2-108.0 113.2 0.6 14.1 -35.0 112 120 A V E -DH 84 121A 0 -28,-3.0 -28,-2.6 -2,-0.6 2,-0.3 -0.883 7.4-171.3-115.2 133.9 1.0 11.6 -32.2 113 121 A T E -DH 83 120A 43 7,-2.4 7,-2.1 -2,-0.4 2,-0.7 -0.911 20.1-139.2-121.7 151.4 -0.1 12.0 -28.6 114 122 A K E + H 0 119A 73 -32,-2.0 5,-0.2 -2,-0.3 2,-0.1 -0.908 40.9 159.4-111.4 101.2 0.6 9.9 -25.5 115 123 A G E > - H 0 118A 41 3,-1.8 3,-1.5 -2,-0.7 4,-0.0 -0.158 60.5 -60.4-102.5-159.9 -2.6 9.7 -23.6 116 124 A D T 3 S+ 0 0 167 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.825 137.7 43.5 -51.5 -38.2 -4.2 7.5 -21.0 117 125 A E T 3 S- 0 0 143 1,-0.4 -1,-0.3 3,-0.0 2,-0.2 0.350 117.8-110.7 -98.0 6.0 -3.9 4.5 -23.4 118 126 A G E < - H 0 115A 21 -3,-1.5 -3,-1.8 2,-0.1 -1,-0.4 -0.583 69.7 -1.4 94.1-162.4 -0.4 5.3 -24.6 119 127 A W E + H 0 114A 28 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.388 66.6 159.1 -70.5 133.7 0.7 6.6 -28.1 120 128 A Q E - H 0 113A 38 -7,-2.1 -7,-2.4 -2,-0.1 2,-0.5 -0.982 44.4-107.4-146.1 152.4 -1.9 7.1 -30.8 121 129 A I E +aH 32 112A 0 -90,-2.4 -88,-2.5 -2,-0.3 -85,-0.2 -0.713 34.4 173.3 -79.0 127.3 -2.1 9.1 -34.0 122 130 A E E + 0 0 51 -11,-2.9 -85,-2.3 -2,-0.5 2,-0.3 0.636 66.1 17.3-108.5 -25.6 -4.5 12.0 -33.4 123 131 A G E +aH 37 111A 13 -12,-1.5 -12,-3.2 -87,-0.2 -1,-0.3 -0.997 56.0 177.6-149.0 144.5 -4.0 13.8 -36.7 124 132 A L E -aH 38 110A 6 -87,-2.3 -85,-2.6 -2,-0.3 2,-0.6 -0.924 9.4-166.1-148.6 121.5 -2.6 12.9 -40.2 125 133 A L E -aH 39 109A 83 -16,-1.6 -16,-1.8 -2,-0.3 2,-0.8 -0.956 12.7-165.8-103.9 112.4 -2.5 15.2 -43.2 126 134 A N + 0 0 35 -87,-3.1 2,-0.3 -2,-0.6 -2,-0.0 -0.761 20.6 159.9-103.3 95.9 -1.7 13.1 -46.3 127 135 A T - 0 0 55 -2,-0.8 -20,-1.6 -20,-0.1 2,-0.3 -0.720 41.7 -99.1-118.9 167.9 -0.7 15.2 -49.2 128 136 A R B -G 106 0A 63 -2,-0.3 2,-0.7 -87,-0.2 -22,-0.3 -0.553 29.5-140.5 -76.6 132.5 1.0 15.0 -52.5 129 137 A K - 0 0 87 -24,-2.4 2,-0.4 -2,-0.3 -24,-0.1 -0.837 20.3-160.4 -94.1 117.3 4.5 16.1 -52.6 130 138 A L - 0 0 69 -2,-0.7 2,-0.1 4,-0.0 -27,-0.0 -0.787 12.6-131.7 -98.1 140.1 5.2 18.1 -55.8 131 139 A T > - 0 0 69 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.437 29.2-112.7 -71.4 160.4 8.6 18.7 -57.3 132 140 A L H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.849 119.7 55.3 -61.6 -37.1 9.3 22.3 -58.3 133 141 A E H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 109.2 45.4 -65.5 -42.7 9.4 21.1 -61.9 134 142 A R H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 110.8 55.2 -67.1 -37.9 5.9 19.6 -61.6 135 143 A Q H X S+ 0 0 82 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 109.1 45.8 -58.4 -47.0 4.7 22.7 -59.8 136 144 A F H X S+ 0 0 116 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.860 110.3 54.2 -67.5 -37.4 5.8 25.0 -62.7 137 145 A F H X S+ 0 0 122 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.919 111.8 45.2 -57.2 -45.1 4.3 22.6 -65.3 138 146 A L H X S+ 0 0 62 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.890 110.9 52.4 -68.9 -37.9 0.9 22.8 -63.4 139 147 A D H X S+ 0 0 78 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.927 112.1 47.2 -61.4 -45.8 1.3 26.6 -63.1 140 148 A D H >X S+ 0 0 102 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.952 111.6 50.0 -61.6 -49.6 1.8 26.7 -66.9 141 149 A F H >< S+ 0 0 44 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.922 110.6 48.9 -52.6 -49.1 -1.1 24.4 -67.6 142 150 A D H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.695 104.5 61.0 -70.2 -19.2 -3.5 26.5 -65.4 143 151 A S H << S+ 0 0 91 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.626 90.0 91.0 -80.2 -15.4 -2.3 29.6 -67.2 144 152 A L S << S- 0 0 70 -3,-1.5 -3,-0.0 -4,-0.6 0, 0.0 -0.483 86.9-102.3 -77.0 151.8 -3.6 28.3 -70.5 145 153 A S > - 0 0 71 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.247 36.6-105.1 -58.2 160.9 -7.1 28.9 -71.8 146 154 A A H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.872 123.2 53.2 -61.0 -29.9 -9.6 26.1 -71.5 147 155 A E H > S+ 0 0 149 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 110.1 45.4 -74.8 -42.0 -9.3 25.4 -75.2 148 156 A A H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.915 111.5 53.7 -64.0 -42.9 -5.5 25.1 -74.9 149 157 A Q H X S+ 0 0 47 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.906 106.1 53.7 -56.5 -42.1 -5.9 22.9 -71.8 150 158 A R H X S+ 0 0 160 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.885 104.5 53.8 -64.1 -37.7 -8.2 20.7 -73.8 151 159 A Q H X S+ 0 0 130 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.883 111.8 47.4 -59.2 -36.2 -5.5 20.3 -76.6 152 160 A V H X S+ 0 0 50 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.961 113.1 44.5 -74.8 -48.7 -3.2 19.1 -73.9 153 161 A T H X S+ 0 0 60 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.851 112.7 53.6 -63.7 -36.3 -5.5 16.7 -72.2 154 162 A D H X S+ 0 0 94 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.874 108.1 50.5 -62.5 -40.8 -6.6 15.3 -75.6 155 163 A L H X S+ 0 0 97 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.944 109.5 50.3 -63.8 -47.4 -2.9 14.7 -76.5 156 164 A V H X S+ 0 0 91 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.915 112.3 48.0 -54.5 -45.2 -2.4 12.9 -73.2 157 165 A A H < S+ 0 0 47 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.896 111.5 49.1 -65.3 -39.8 -5.5 10.7 -74.0 158 166 A S H >< S+ 0 0 58 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.919 111.2 51.1 -69.1 -37.1 -4.3 10.0 -77.5 159 167 A L H >< S+ 0 0 108 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.799 102.3 58.0 -69.5 -29.5 -0.8 9.0 -76.2 160 168 A K T 3< S+ 0 0 93 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.577 104.5 55.5 -81.6 -0.9 -2.0 6.6 -73.6 161 169 A Q T < 0 0 160 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.922 360.0 360.0 -59.2 -50.2 -3.8 4.6 -76.3 162 170 A S < 0 0 127 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.1 0.668 360.0 360.0-179.7 360.0 -1.0 4.2 -78.1