==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-APR-11 3RM4 . COMPND 2 MOLECULE: ACIDIC MAMMALIAN CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OLLAND . 750 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.5 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 0.3 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 . 41 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 0 0 6 0 4 4 0 0 1 1 0 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 6 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 . 2 1 5 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 2 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 22 A Y 0 0 103 0, 0.0 2,-0.3 0, 0.0 334,-0.3 0.000 360.0 360.0 360.0 152.9 -10.1 1.7 -36.8 2 23 A Q E -a 335 0A 47 332,-2.0 334,-2.4 29,-0.0 2,-0.4 -0.767 360.0-157.7 -93.4 151.9 -10.9 2.3 -33.1 3 24 A L E -a 336 0A 0 -2,-0.3 28,-2.1 332,-0.2 29,-1.9 -0.914 17.0-172.5-128.3 104.0 -9.1 5.1 -31.1 4 25 A T E -ab 337 32A 2 332,-2.9 334,-2.4 -2,-0.4 2,-0.5 -0.844 1.9-165.6-107.5 126.3 -9.4 4.1 -27.5 5 26 A a E -ab 338 33A 1 27,-2.6 29,-2.6 -2,-0.5 2,-0.4 -0.957 11.2-142.0-124.3 121.3 -8.3 6.6 -24.8 6 27 A Y E - b 0 34A 2 332,-2.6 335,-2.6 -2,-0.5 334,-0.5 -0.677 11.8-162.5 -79.8 131.2 -7.6 6.0 -21.2 7 28 A F E - b 0 35A 2 27,-3.3 29,-3.1 -2,-0.4 2,-0.4 -0.923 11.2-144.6-105.8 138.2 -8.7 8.6 -18.6 8 29 A T E > - b 0 36A 1 -2,-0.4 3,-1.1 27,-0.2 4,-0.2 -0.891 7.1-148.4-110.1 132.0 -7.1 8.4 -15.1 9 30 A N T 3 S+ 0 0 1 27,-2.9 28,-0.1 -2,-0.4 -1,-0.1 0.362 96.7 58.1 -80.6 5.7 -9.1 9.3 -12.0 10 31 A W T > S+ 0 0 89 26,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.476 79.5 86.6-106.3 -7.3 -6.0 10.6 -10.1 11 32 A A G X S+ 0 0 0 -3,-1.1 3,-1.4 1,-0.3 9,-1.0 0.759 74.8 75.0 -60.4 -23.7 -5.1 13.2 -12.8 12 33 A Q G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -4,-0.2 7,-0.1 0.684 89.5 57.7 -58.4 -21.5 -7.5 15.4 -10.9 13 34 A Y G < S+ 0 0 33 -3,-1.9 -1,-0.2 5,-0.1 -2,-0.2 0.482 76.0 112.5 -96.2 -5.9 -4.8 15.9 -8.2 14 35 A R S < S- 0 0 29 -3,-1.4 5,-0.2 4,-0.2 260,-0.1 -0.440 75.4-104.8 -69.5 141.2 -2.1 17.3 -10.4 15 36 A P > - 0 0 33 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.354 65.9 -39.9 -71.7 146.5 -1.3 21.0 -9.6 16 37 A G G > S+ 0 0 66 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 -0.063 133.6 15.0 49.6-124.7 -2.4 23.9 -11.8 17 38 A L G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 330,-0.1 0.626 121.8 66.3 -57.4 -19.4 -2.1 23.1 -15.6 18 39 A G G < S+ 0 0 0 -3,-2.4 -1,-0.3 254,-0.1 -4,-0.2 0.708 72.6 111.7 -75.3 -21.7 -1.7 19.4 -14.8 19 40 A R < - 0 0 121 -3,-1.9 2,-0.4 -5,-0.2 -7,-0.2 -0.319 45.3-177.1 -60.7 126.5 -5.3 19.0 -13.5 20 41 A F + 0 0 0 -9,-1.0 -6,-0.1 -12,-0.1 -7,-0.1 -0.985 4.9 176.6-133.3 123.4 -7.4 16.9 -15.8 21 42 A M > - 0 0 30 -2,-0.4 3,-2.0 -10,-0.1 4,-0.3 -0.723 47.3 -99.0-115.5 163.2 -11.1 16.2 -15.2 22 43 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 33,-0.0 0.871 121.8 60.3 -53.6 -35.2 -13.6 14.2 -17.4 23 44 A D G 3 S+ 0 0 112 1,-0.3 -3,-0.0 3,-0.0 32,-0.0 0.581 91.4 68.5 -72.2 -6.4 -15.0 17.6 -18.8 24 45 A D G < S+ 0 0 71 -3,-2.0 2,-0.4 2,-0.1 -1,-0.3 0.531 80.1 102.0 -80.8 -11.3 -11.5 18.3 -20.1 25 46 A I S < S- 0 0 5 -3,-1.8 3,-0.0 -4,-0.3 317,-0.0 -0.638 76.2-132.8 -76.3 124.2 -12.1 15.4 -22.6 26 47 A N >> - 0 0 74 -2,-0.4 3,-1.8 1,-0.1 4,-0.5 -0.737 15.6-149.6 -71.2 115.3 -13.0 16.5 -26.1 27 48 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.710 93.4 53.2 -65.1 -21.9 -16.0 14.1 -26.8 28 49 A b T 34 S+ 0 0 42 1,-0.1 343,-0.1 345,-0.1 -2,-0.0 0.449 90.8 79.2 -92.0 -3.8 -15.2 14.0 -30.5 29 50 A L T <4 S+ 0 0 7 -3,-1.8 2,-0.2 2,-0.0 -1,-0.1 0.932 94.2 30.4 -75.6 -48.6 -11.5 13.0 -30.1 30 51 A a < - 0 0 3 -4,-0.5 -26,-0.2 1,-0.1 3,-0.1 -0.708 60.3-141.5-112.4 161.3 -11.7 9.2 -29.5 31 52 A T S S+ 0 0 31 -28,-2.1 39,-1.6 1,-0.3 2,-0.4 0.788 93.8 26.3 -85.4 -33.6 -14.1 6.4 -30.5 32 53 A H E -bc 4 70A 14 -29,-1.9 -27,-2.6 37,-0.2 2,-0.4 -0.986 67.1-159.6-130.4 140.7 -13.8 4.7 -27.0 33 54 A L E -bc 5 71A 1 37,-2.2 39,-2.6 -2,-0.4 2,-0.5 -0.974 7.2-158.9-119.2 134.1 -13.0 6.2 -23.6 34 55 A I E -bc 6 72A 0 -29,-2.6 -27,-3.3 -2,-0.4 2,-0.7 -0.957 10.1-142.5-116.9 129.3 -11.8 4.0 -20.7 35 56 A Y E -bc 7 73A 0 37,-2.9 39,-3.1 -2,-0.5 2,-0.5 -0.795 24.5-130.7 -92.8 113.3 -12.1 5.1 -17.1 36 57 A A E +bc 8 74A 0 -29,-3.1 -27,-2.9 -2,-0.7 -26,-0.2 -0.947 64.4 17.4-111.1 125.8 -9.1 4.0 -15.0 37 58 A F E + 0 0 17 37,-0.5 11,-0.3 -2,-0.5 12,-0.3 0.609 41.6 161.9-133.9 159.4 -9.6 2.6 -12.4 38 59 A A E - c 0 75A 1 36,-3.1 38,-2.0 -3,-0.3 9,-0.2 -0.665 28.9-152.8 -90.0 160.8 -12.2 0.7 -10.4 39 60 A G E -I 46 0B 2 7,-2.3 7,-1.8 -2,-0.2 2,-0.3 -0.349 9.3-115.5-116.1-159.9 -11.1 -1.5 -7.5 40 61 A M E +I 45 0B 17 5,-0.3 2,-0.4 -2,-0.1 5,-0.2 -0.995 21.0 179.8-148.7 136.5 -12.5 -4.5 -5.7 41 62 A Q E > S-I 44 0B 123 3,-2.6 3,-1.6 -2,-0.3 -2,-0.0 -0.986 77.9 -11.0-140.0 128.2 -13.8 -5.3 -2.3 42 63 A N T 3 S- 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.914 130.2 -53.9 47.4 48.3 -15.1 -8.7 -1.1 43 64 A N T 3 S+ 0 0 33 1,-0.2 2,-0.4 41,-0.0 -1,-0.3 0.657 117.1 113.3 63.3 20.4 -15.0 -9.9 -4.8 44 65 A E E < S-I 41 0B 93 -3,-1.6 -3,-2.6 57,-0.1 -1,-0.2 -0.950 73.4-107.0-122.5 141.9 -17.2 -7.0 -6.0 45 66 A I E +I 40 0B 7 53,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.380 46.8 175.2 -62.3 138.8 -16.3 -4.1 -8.2 46 67 A T E -I 39 0B 38 -7,-1.8 -7,-2.3 -2,-0.1 2,-0.1 -0.909 33.5-103.6-137.9 164.3 -16.0 -0.7 -6.3 47 68 A T - 0 0 53 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.416 23.1-163.5 -73.2 165.5 -15.1 2.9 -6.8 48 69 A I + 0 0 74 -11,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.617 66.0 62.7-122.3 -35.8 -11.6 4.0 -5.6 49 70 A E S > S- 0 0 31 -12,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.716 82.2-122.6 -93.5 147.5 -11.8 7.8 -5.4 50 71 A W T 3 S+ 0 0 94 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.798 112.8 41.0 -51.7 -36.3 -14.2 9.8 -3.2 51 72 A N T 3> S+ 0 0 14 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.195 78.0 115.1-103.0 16.9 -15.7 11.6 -6.2 52 73 A D H <> S+ 0 0 0 -3,-1.8 4,-3.5 1,-0.2 5,-0.2 0.867 73.9 55.1 -55.5 -42.8 -15.8 8.6 -8.7 53 74 A V H > S+ 0 0 72 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.930 111.8 44.4 -58.2 -44.2 -19.7 8.6 -8.9 54 75 A T H > S+ 0 0 95 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.873 115.5 48.3 -65.2 -40.5 -19.7 12.3 -9.9 55 76 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.879 106.6 55.7 -69.3 -38.9 -16.8 11.7 -12.3 56 77 A Y H X S+ 0 0 1 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.917 107.6 51.4 -54.8 -47.1 -18.6 8.7 -13.8 57 78 A Q H X S+ 0 0 151 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.908 113.0 43.0 -57.5 -47.8 -21.6 11.0 -14.5 58 79 A A H X S+ 0 0 23 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.914 116.1 49.7 -62.6 -44.6 -19.4 13.6 -16.3 59 80 A F H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.952 117.0 38.0 -61.4 -56.6 -17.4 10.9 -18.2 60 81 A N H >< S+ 0 0 9 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.785 105.9 70.0 -70.3 -24.4 -20.5 9.0 -19.5 61 82 A G H >< S+ 0 0 24 -4,-1.7 3,-1.9 -5,-0.3 -1,-0.3 0.704 81.4 75.3 -59.2 -23.0 -22.2 12.4 -20.0 62 83 A L G XX S+ 0 0 4 -3,-1.2 3,-1.9 -4,-0.6 4,-1.0 0.790 80.5 70.1 -60.2 -27.5 -19.7 12.9 -22.8 63 84 A K G <4 S+ 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.621 85.5 68.6 -65.8 -15.2 -21.9 10.5 -24.8 64 85 A N G <4 S+ 0 0 147 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.565 105.2 40.5 -75.0 -12.6 -24.5 13.3 -24.8 65 86 A K T <4 S+ 0 0 142 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.594 124.6 36.5-108.9 -19.7 -22.2 15.3 -27.2 66 87 A N >< - 0 0 8 -4,-1.0 3,-1.4 307,-0.2 -1,-0.3 -0.867 63.9-168.1-137.1 100.8 -21.1 12.3 -29.3 67 88 A S T 3 S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.3 306,-0.1 0.740 88.0 56.8 -60.8 -26.1 -23.7 9.7 -30.0 68 89 A Q T 3 S+ 0 0 123 304,-0.2 -1,-0.3 2,-0.0 -5,-0.1 0.635 82.2 113.8 -76.2 -20.1 -21.1 7.2 -31.4 69 90 A L < - 0 0 2 -3,-1.4 2,-0.3 -6,-0.1 -37,-0.2 -0.303 46.4-166.4 -65.9 134.8 -19.0 7.3 -28.2 70 91 A K E -c 32 0A 90 -39,-1.6 -37,-2.2 -2,-0.0 2,-0.4 -0.911 4.7-157.3-114.8 149.2 -18.6 4.1 -26.1 71 92 A T E -c 33 0A 0 -2,-0.3 41,-2.3 -39,-0.2 42,-0.6 -0.961 7.0-171.1-127.0 143.7 -17.3 4.1 -22.6 72 93 A L E -cd 34 113A 1 -39,-2.6 -37,-2.9 -2,-0.4 2,-0.5 -0.955 19.9-131.2-129.9 152.8 -15.7 1.3 -20.5 73 94 A L E -cd 35 114A 0 40,-2.5 42,-3.0 -2,-0.3 2,-0.5 -0.906 21.2-146.1 -99.4 128.0 -14.7 1.0 -16.9 74 95 A A E -cd 36 115A 0 -39,-3.1 -36,-3.1 -2,-0.5 -37,-0.5 -0.804 10.0-157.5 -93.4 130.9 -11.2 -0.4 -16.3 75 96 A I E -cd 38 116A 0 40,-2.4 42,-2.6 -2,-0.5 2,-0.6 -0.927 57.1 -2.4-106.6 134.1 -10.6 -2.6 -13.2 76 97 A G E - d 0 117A 6 -38,-2.0 4,-0.2 -2,-0.4 42,-0.2 -0.844 62.6-177.2 107.9-117.6 -7.2 -3.1 -11.6 77 98 A G > - 0 0 0 40,-3.5 4,-0.7 -2,-0.6 42,-0.5 -0.441 50.4 -53.1 103.2-177.6 -4.0 -1.5 -13.0 78 99 A W T >4 S+ 0 0 129 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.949 132.0 41.4 -64.2 -54.4 -0.3 -1.7 -12.1 79 100 A N T 34 S+ 0 0 123 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.774 102.3 70.7 -70.0 -23.7 -0.4 -0.7 -8.4 80 101 A F T 34 S- 0 0 54 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.801 88.4-168.9 -57.8 -31.4 -3.6 -2.8 -7.8 81 102 A G << - 0 0 16 -3,-1.2 38,-0.4 -4,-0.7 4,-0.2 -0.210 33.3 -73.3 68.2-158.9 -1.3 -5.9 -8.2 82 103 A T S > S+ 0 0 8 42,-0.5 4,-2.8 36,-0.1 3,-0.4 0.643 100.0 91.2-111.3 -21.0 -2.6 -9.5 -8.6 83 104 A A H > S+ 0 0 29 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.842 89.3 45.7 -57.5 -47.3 -3.9 -10.6 -5.2 84 105 A P H > S+ 0 0 42 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.864 115.7 48.6 -64.5 -34.0 -7.6 -9.5 -5.5 85 106 A F H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.921 110.2 50.9 -67.1 -45.9 -7.8 -11.0 -9.0 86 107 A T H X S+ 0 0 30 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.926 113.8 44.1 -55.4 -49.1 -6.2 -14.3 -7.8 87 108 A A H < S+ 0 0 48 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.890 113.1 52.4 -64.4 -41.0 -8.6 -14.7 -4.9 88 109 A M H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.873 114.7 39.5 -64.5 -41.8 -11.6 -13.7 -7.1 89 110 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.664 94.0 87.9 -81.5 -13.9 -10.9 -16.2 -9.9 90 111 A S S < S+ 0 0 65 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.732 96.8 27.8 -58.3 -28.9 -9.9 -19.0 -7.3 91 112 A T S > S- 0 0 44 -3,-0.5 4,-1.9 -4,-0.4 5,-0.2 -0.986 72.4-129.3-135.3 146.5 -13.5 -20.2 -7.0 92 113 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.843 111.9 59.3 -60.2 -33.7 -16.6 -20.1 -9.2 93 114 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 106.5 46.2 -56.9 -47.3 -18.5 -18.6 -6.2 94 115 A N H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 111.8 51.0 -67.2 -36.5 -16.1 -15.6 -6.2 95 116 A R H X S+ 0 0 21 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.880 111.9 46.5 -66.8 -39.9 -16.3 -15.2 -10.0 96 117 A Q H X S+ 0 0 108 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.894 110.6 52.8 -68.6 -43.6 -20.1 -15.1 -10.0 97 118 A T H X S+ 0 0 52 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.937 114.8 43.5 -52.7 -48.6 -20.1 -12.7 -7.1 98 119 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -53,-0.4 0.938 113.1 49.5 -65.7 -48.5 -17.8 -10.5 -9.2 99 120 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.904 110.8 50.3 -59.7 -45.0 -19.7 -10.9 -12.5 100 121 A T H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.925 111.2 48.9 -57.5 -47.5 -23.0 -10.1 -10.8 101 122 A S H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.870 110.4 52.6 -61.8 -36.6 -21.5 -6.9 -9.2 102 123 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.936 108.1 47.9 -66.9 -50.4 -20.1 -5.9 -12.6 103 124 A I H X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.944 116.5 44.7 -53.1 -51.2 -23.3 -6.1 -14.6 104 125 A K H X S+ 0 0 96 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.904 115.1 48.8 -59.9 -43.4 -25.1 -4.1 -11.9 105 126 A F H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 112.5 44.9 -67.2 -49.8 -22.3 -1.6 -11.6 106 127 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.9 0.886 115.9 47.1 -64.0 -41.7 -21.9 -0.8 -15.3 107 128 A R H <5S+ 0 0 67 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.914 112.1 51.0 -65.7 -41.9 -25.6 -0.6 -15.9 108 129 A Q H <5S+ 0 0 113 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.884 118.6 35.1 -63.4 -41.9 -26.1 1.7 -12.9 109 130 A Y H <5S- 0 0 48 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.426 114.0-112.6 -98.7 -0.5 -23.4 4.2 -13.8 110 131 A E T <5 + 0 0 139 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.858 58.8 153.5 76.3 40.8 -24.0 4.0 -17.6 111 132 A F < - 0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 -39,-0.2 -0.740 41.5-143.6 -92.4 149.1 -20.8 2.3 -18.9 112 133 A D S S- 0 0 37 -41,-2.3 46,-2.8 -2,-0.3 2,-0.3 0.500 71.2 -26.1 -89.6 -5.3 -20.9 0.2 -22.1 113 134 A G E -de 72 158A 0 -42,-0.6 -40,-2.5 44,-0.3 2,-0.4 -0.992 62.4 -88.3 176.2 179.2 -18.4 -2.4 -20.8 114 135 A L E -de 73 159A 0 44,-2.4 46,-2.7 -2,-0.3 2,-0.5 -0.943 20.6-158.3-115.5 134.0 -15.5 -3.5 -18.7 115 136 A D E -de 74 160A 0 -42,-3.0 -40,-2.4 -2,-0.4 2,-0.5 -0.967 17.9-141.5-105.6 121.1 -11.8 -3.4 -19.4 116 137 A F E +de 75 161A 1 44,-2.4 46,-2.9 -2,-0.5 -40,-0.1 -0.742 20.4 179.1 -80.2 123.6 -9.7 -5.9 -17.4 117 138 A D E +d 76 0A 3 -42,-2.6 -40,-3.5 -2,-0.5 2,-0.7 -0.489 18.3 155.9-120.8 61.1 -6.3 -4.5 -16.3 118 139 A W - 0 0 2 44,-0.3 2,-0.5 -42,-0.2 -36,-0.1 -0.798 39.0-139.7 -82.9 116.7 -5.0 -7.5 -14.4 119 140 A E S S- 0 0 16 -2,-0.7 -38,-0.1 -42,-0.5 44,-0.1 -0.790 72.8 -21.7-122.4 87.1 -1.3 -7.0 -14.5 120 141 A Y > - 0 0 26 -2,-0.5 3,-1.7 1,-0.1 6,-0.4 0.702 48.7-146.1-145.1 157.6 -0.8 -9.9 -14.9 121 142 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.403 100.5 17.6 -58.2 136.9 -2.1 -13.4 -14.7 122 143 A G T 3 S+ 0 0 17 5,-0.5 2,-0.2 1,-0.2 3,-0.1 0.399 121.7 59.9 81.5 -1.1 0.7 -15.8 -14.0 123 144 A S S X S+ 0 0 19 -3,-1.7 3,-2.4 1,-0.2 -1,-0.2 -0.830 75.3 48.0-144.6-174.4 3.2 -13.2 -12.8 124 145 A R T 3 S- 0 0 83 1,-0.3 -42,-0.5 -2,-0.2 333,-0.2 0.893 139.4 -39.2 41.9 48.0 3.8 -10.4 -10.2 125 146 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.192 109.4 127.8 95.8 -16.7 2.7 -12.9 -7.5 126 147 A S < - 0 0 8 -3,-2.4 -1,-0.3 -6,-0.4 5,-0.1 -0.607 58.8-123.6 -75.5 126.2 -0.1 -14.5 -9.5 127 148 A P > - 0 0 32 0, 0.0 3,-2.2 0, 0.0 -5,-0.5 -0.246 23.5-102.1 -72.4 162.4 0.2 -18.4 -9.6 128 149 A P T >> S+ 0 0 110 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.790 116.9 65.6 -55.3 -34.9 0.4 -20.5 -12.8 129 150 A Q H 3> S+ 0 0 110 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.723 86.7 73.4 -61.8 -19.5 -3.3 -21.6 -12.5 130 151 A D H <> S+ 0 0 2 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.758 82.3 68.5 -68.9 -25.9 -4.3 -18.0 -13.1 131 152 A K H <> S+ 0 0 71 -3,-1.5 4,-1.0 -4,-0.3 44,-0.4 0.973 111.4 31.6 -53.8 -56.3 -3.4 -18.2 -16.8 132 153 A H H X S+ 0 0 99 -4,-0.5 4,-2.2 -3,-0.2 3,-0.2 0.887 116.1 58.8 -69.0 -38.5 -6.3 -20.6 -17.4 133 154 A L H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.804 100.6 56.4 -64.8 -29.4 -8.5 -19.1 -14.7 134 155 A F H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.899 107.1 49.6 -63.0 -43.0 -8.3 -15.7 -16.5 135 156 A T H X S+ 0 0 5 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.933 111.9 48.8 -58.4 -47.6 -9.7 -17.4 -19.7 136 157 A V H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.920 110.9 49.6 -58.2 -49.4 -12.5 -18.9 -17.6 137 158 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.934 113.1 46.4 -55.7 -49.1 -13.3 -15.6 -16.0 138 159 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.908 112.9 49.6 -64.1 -42.7 -13.5 -13.8 -19.3 139 160 A Q H X S+ 0 0 60 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.952 112.5 47.2 -56.7 -50.1 -15.6 -16.6 -20.9 140 161 A E H X S+ 0 0 61 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.877 113.8 48.7 -64.0 -37.6 -18.0 -16.5 -17.9 141 162 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.937 111.9 47.0 -65.5 -50.1 -18.2 -12.7 -18.1 142 163 A R H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.913 114.8 48.1 -58.1 -44.0 -18.8 -12.6 -21.9 143 164 A E H X S+ 0 0 92 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.840 111.4 49.8 -66.7 -33.1 -21.5 -15.4 -21.5 144 165 A A H X S+ 0 0 13 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.830 109.8 51.2 -71.9 -33.6 -23.1 -13.5 -18.6 145 166 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 12,-0.2 0.899 109.6 49.7 -69.7 -41.2 -23.2 -10.3 -20.6 146 167 A E H X S+ 0 0 84 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.898 112.7 48.4 -62.5 -42.2 -24.9 -12.2 -23.5 147 168 A Q H >X S+ 0 0 141 -4,-1.8 4,-1.6 2,-0.2 3,-0.5 0.918 110.5 49.4 -63.0 -50.2 -27.4 -13.5 -21.0 148 169 A E H 3X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.890 104.0 59.5 -59.6 -42.8 -28.2 -10.1 -19.4 149 170 A A H 3X>S+ 0 0 17 -4,-2.3 5,-1.4 1,-0.2 4,-0.8 0.842 107.3 47.8 -54.3 -36.4 -28.7 -8.5 -22.8 150 171 A K H <<5S+ 0 0 187 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.883 111.4 50.3 -69.9 -40.6 -31.5 -11.1 -23.4 151 172 A Q H <5S+ 0 0 140 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 122.9 29.0 -67.9 -41.9 -33.0 -10.4 -20.0 152 173 A I H <5S- 0 0 58 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.418 103.6-125.8-101.2 -1.6 -33.1 -6.6 -20.3 153 174 A N T <5 + 0 0 150 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.947 68.6 113.1 54.5 58.1 -33.5 -6.5 -24.1 154 175 A K S S- 0 0 29 1,-0.1 4,-2.3 23,-0.1 5,-0.2 -0.570 72.9-137.6 -75.1 133.6 6.8 -8.7 -22.4 167 188 A I H > S+ 0 0 23 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.920 102.3 48.2 -63.5 -45.3 7.2 -12.2 -24.1 168 189 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 112.7 49.7 -57.4 -48.4 7.8 -14.0 -20.8 169 190 A N H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.857 111.3 49.4 -57.3 -40.8 4.7 -12.3 -19.2 170 191 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 3,-0.4 0.949 111.2 48.9 -64.2 -49.7 2.6 -13.2 -22.3 171 192 A Q H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.0 39.6 -58.7 -40.9 3.7 -16.9 -22.2 172 193 A S H < S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -41,-0.2 0.655 122.1 43.9 -84.3 -12.4 3.0 -17.2 -18.5 173 194 A G H < S+ 0 0 0 -4,-1.1 2,-0.4 -3,-0.4 -2,-0.2 0.794 101.8 47.9-103.2 -32.8 -0.2 -15.1 -18.6 174 195 A Y < - 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0 0 8 -3,-2.0 -1,-0.3 -6,-0.3 -43,-0.1 -0.559 58.5-125.8 -70.5 121.6 0.3 -14.0 1.2 501 148 B P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 -5,-0.5 -0.206 24.4-100.9 -70.0 162.1 -0.1 -17.8 1.6 502 149 B P T > S+ 0 0 112 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.769 115.8 66.5 -58.9 -30.6 -0.5 -19.5 5.1 503 150 B Q T 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.695 85.2 74.6 -62.2 -20.8 3.1 -20.7 5.2 504 151 B D H <> S+ 0 0 1 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.686 80.7 69.3 -69.0 -23.7 4.3 -17.0 5.4 505 152 B K H <> S+ 0 0 68 -3,-1.4 4,-1.1 -4,-0.3 44,-0.4 0.972 111.7 31.6 -54.5 -55.8 3.3 -16.7 9.1 506 153 B H H > S+ 0 0 99 -4,-0.5 4,-2.0 -3,-0.3 3,-0.3 0.901 116.4 57.5 -70.8 -40.2 6.0 -19.0 10.1 507 154 B L H X S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.794 101.9 56.6 -65.3 -27.4 8.4 -18.0 7.3 508 155 B F H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 105.8 50.4 -64.5 -42.9 8.3 -14.4 8.5 509 156 B T H X S+ 0 0 6 -4,-1.1 4,-2.8 -3,-0.3 -2,-0.2 0.937 112.0 48.4 -56.4 -49.1 9.5 -15.5 12.0 510 157 B V H X S+ 0 0 25 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.920 111.1 49.5 -56.7 -50.8 12.3 -17.4 10.3 511 158 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.940 113.0 47.0 -52.0 -55.0 13.2 -14.3 8.1 512 159 B V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.904 112.9 48.6 -57.5 -46.3 13.3 -12.1 11.2 513 160 B Q H X S+ 0 0 58 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.923 113.0 47.5 -60.4 -47.2 15.4 -14.5 13.2 514 161 B E H X S+ 0 0 64 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.878 113.0 49.0 -61.9 -42.1 17.9 -15.0 10.4 515 162 B M H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.933 111.2 49.4 -61.9 -47.6 18.1 -11.2 9.9 516 163 B R H X S+ 0 0 39 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.928 114.4 45.2 -58.1 -45.4 18.6 -10.6 13.7 517 164 B E H X S+ 0 0 85 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.899 111.9 50.8 -69.7 -39.7 21.3 -13.3 13.8 518 165 B A H X S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.881 110.7 50.9 -60.7 -39.3 23.1 -12.0 10.6 519 166 B F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 12,-0.3 0.920 108.7 51.3 -64.0 -44.9 23.0 -8.5 12.2 520 167 B E H X S+ 0 0 74 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.928 112.6 45.6 -56.6 -46.9 24.6 -9.9 15.4 521 168 B Q H X S+ 0 0 133 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.916 112.5 50.2 -63.5 -47.3 27.4 -11.6 13.5 522 169 B E H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.891 103.5 59.7 -57.2 -43.5 28.1 -8.5 11.2 523 170 B A H X>S+ 0 0 12 -4,-2.2 5,-1.9 1,-0.2 4,-0.6 0.886 111.6 40.5 -54.2 -41.8 28.3 -6.2 14.2 524 171 B K H <5S+ 0 0 186 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.816 110.5 56.7 -79.4 -32.2 31.2 -8.2 15.6 525 172 B Q H <5S+ 0 0 153 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 122.1 28.0 -66.4 -37.3 32.9 -8.8 12.3 526 173 B I H <5S- 0 0 67 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.420 104.7-126.6-102.9 1.3 33.1 -5.0 11.7 527 174 B N T <5 + 0 0 150 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.946 66.7 118.7 52.5 56.0 33.2 -3.9 15.4 528 175 B K S S- 0 0 30 1,-0.1 4,-2.4 23,-0.1 5,-0.2 -0.600 73.1-138.6 -74.8 133.2 -6.8 -6.3 13.0 541 188 B I H > S+ 0 0 17 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.897 102.6 49.8 -65.3 -41.2 -7.3 -9.4 15.1 542 189 B S H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 112.6 47.4 -56.2 -54.2 -7.9 -11.6 12.0 543 190 B N H > S+ 0 0 51 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.845 112.5 50.5 -57.4 -36.9 -4.7 -10.3 10.3 544 191 B I H >X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.7 0.954 109.3 49.9 -65.5 -50.5 -2.8 -10.8 13.6 545 192 B Q H 3< S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.844 117.2 39.9 -59.7 -37.8 -3.9 -14.4 14.0 546 193 B S H 3< S+ 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -41,-0.2 0.595 120.7 43.1 -89.6 -8.0 -3.0 -15.4 10.4 547 194 B G H << S+ 0 0 0 -4,-0.9 2,-0.4 -3,-0.7 -2,-0.2 0.701 101.8 50.1-111.8 -22.3 0.2 -13.4 10.2 548 195 B Y < - 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