==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-08 3BXW . COMPND 2 MOLECULE: CHITINASE DOMAIN-CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.MENG,T.J.GREEN . 720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 65 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 4 2 4 1 3 0 0 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 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 0 PARALLEL BRIDGES PER LADDER . 5 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 2 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 11 B T 0 0 171 0, 0.0 2,-0.5 0, 0.0 293,-0.0 0.000 360.0 360.0 360.0 -34.8 27.4 25.3 102.1 2 12 B L - 0 0 38 1,-0.0 2,-0.3 2,-0.0 292,-0.0 -0.734 360.0-124.0 -90.8 128.2 27.0 28.8 100.7 3 13 B L - 0 0 140 -2,-0.5 2,-0.5 1,-0.0 -1,-0.0 -0.491 29.6-174.3 -68.5 123.8 29.8 31.3 101.2 4 14 B E - 0 0 56 -2,-0.3 26,-0.2 27,-0.1 27,-0.1 -0.921 17.8-136.8-127.3 107.2 28.4 34.5 102.9 5 15 B K + 0 0 72 25,-1.6 28,-0.2 -2,-0.5 3,-0.0 -0.079 20.5 179.3 -53.7 161.8 30.7 37.5 103.4 6 16 B S + 0 0 106 2,-0.1 -1,-0.1 27,-0.1 2,-0.1 0.466 54.9 78.1-138.4 -23.0 30.6 39.3 106.7 7 17 B Q S S- 0 0 153 1,-0.1 2,-0.1 27,-0.1 -2,-0.0 -0.443 81.1-104.3 -90.6 164.6 33.2 42.1 106.3 8 18 B F - 0 0 101 26,-0.2 2,-0.2 -2,-0.1 28,-0.2 -0.362 34.3-120.3 -82.1 166.8 32.8 45.4 104.5 9 19 B S - 0 0 22 26,-2.0 29,-0.7 1,-0.1 28,-0.5 -0.623 8.1-131.0-107.3 167.5 34.3 46.2 101.2 10 20 B D S S+ 0 0 145 -2,-0.2 29,-0.1 26,-0.1 -1,-0.1 0.770 95.7 36.7 -82.7 -30.9 36.8 48.8 99.9 11 21 B K S S- 0 0 126 27,-0.1 -2,-0.1 24,-0.0 -1,-0.1 -0.886 88.1-109.3-124.2 153.4 34.5 49.7 97.0 12 22 B P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 23,-0.1 -0.300 41.8 -98.3 -74.3 166.8 30.7 50.0 96.6 13 23 B V G > >S+ 0 0 0 343,-0.3 3,-2.4 1,-0.3 5,-1.6 0.859 119.7 64.4 -53.6 -41.4 28.8 47.4 94.5 14 24 B Q G 3 5S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.2 3,-0.0 0.540 107.3 44.7 -62.9 -4.7 28.7 49.7 91.4 15 25 B D G < 5S+ 0 0 102 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.181 105.0 60.7-123.1 14.6 32.5 49.4 91.2 16 26 B R T < 5S- 0 0 56 -3,-2.4 -2,-0.2 -4,-0.1 -3,-0.1 0.118 111.2-111.0-123.5 14.0 32.7 45.6 91.9 17 27 B G T 5S+ 0 0 57 -4,-0.2 -3,-0.2 1,-0.1 -4,-0.1 0.746 82.7 125.8 60.9 25.3 30.7 44.6 88.8 18 28 B L < + 0 0 22 -5,-1.6 2,-1.7 1,-0.2 311,-0.2 0.621 44.4 85.7 -88.6 -15.1 27.9 43.5 91.1 19 29 B V + 0 0 37 -6,-0.5 2,-0.3 309,-0.1 -1,-0.2 -0.580 69.5 144.5 -88.3 77.7 25.1 45.5 89.4 20 30 B V - 0 0 54 -2,-1.7 309,-0.4 1,-0.1 3,-0.1 -0.782 56.1-144.8-119.9 162.7 24.3 43.0 86.7 21 31 B T S S+ 0 0 63 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.757 94.5 66.1 -92.1 -32.0 21.4 41.6 84.7 22 32 B D S S- 0 0 132 279,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.709 81.1-178.6 -94.7 84.2 22.7 38.1 84.5 23 33 B L - 0 0 15 -2,-1.3 277,-0.5 277,-0.2 2,-0.4 -0.526 23.2-154.6 -89.3 151.5 22.4 37.2 88.2 24 34 B K B >> -A 299 0A 138 -2,-0.2 3,-2.4 1,-0.1 4,-1.1 -0.990 20.5-133.3-128.1 121.0 23.3 34.1 90.1 25 35 B A H 3> S+ 0 0 1 273,-0.6 4,-1.9 -2,-0.4 3,-0.4 0.800 106.1 55.0 -37.1 -47.4 21.6 33.3 93.4 26 36 B E H 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.774 100.5 59.3 -64.1 -27.6 24.8 32.5 95.2 27 37 B S H <> S+ 0 0 40 -3,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.865 106.8 48.2 -68.4 -36.4 26.4 35.9 94.2 28 38 B V H X S+ 0 0 2 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.933 111.3 47.9 -69.6 -46.5 23.6 37.7 96.1 29 39 B V H < S+ 0 0 0 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.781 113.0 51.8 -67.5 -22.4 23.9 35.5 99.2 30 40 B L H < S+ 0 0 42 -4,-1.4 -25,-1.6 -5,-0.2 -1,-0.2 0.865 120.7 28.2 -80.6 -35.5 27.7 36.1 99.0 31 41 B E H < S+ 0 0 22 -4,-1.8 3,-0.4 1,-0.1 -2,-0.2 0.565 87.3 97.0-105.9 -8.4 27.6 39.9 98.8 32 42 B H S < S+ 0 0 17 -4,-2.1 324,-2.7 1,-0.2 325,-0.2 0.842 91.5 40.2 -53.9 -40.3 24.4 41.2 100.5 33 43 B R S S+ 0 0 118 -4,-0.2 2,-1.4 -28,-0.2 -1,-0.2 0.796 96.1 90.1 -78.3 -27.8 26.0 42.0 103.9 34 44 B S + 0 0 1 -3,-0.4 2,-0.2 -4,-0.2 -26,-0.2 -0.531 53.6 158.6 -76.7 88.6 29.2 43.5 102.4 35 45 B Y - 0 0 23 -2,-1.4 -26,-2.0 -23,-0.1 2,-1.2 -0.573 54.0 -92.7-102.0 169.9 28.6 47.2 101.8 36 46 B C + 0 0 2 -28,-0.2 -26,-0.1 -2,-0.2 -28,-0.0 -0.720 41.2 178.2 -85.9 98.5 31.2 49.9 101.4 37 47 B S S > S+ 0 0 47 -2,-1.2 3,-0.9 -28,-0.5 -1,-0.2 0.802 77.2 64.0 -67.9 -30.6 31.5 51.1 105.0 38 48 B A T 3 S+ 0 0 75 -29,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.991 112.3 30.6 -55.4 -65.4 34.2 53.5 103.8 39 49 B K T > S+ 0 0 72 1,-0.2 3,-3.0 -29,-0.1 -1,-0.2 0.160 80.3 123.5 -84.2 21.0 31.9 55.5 101.6 40 50 B A T < S+ 0 0 6 -3,-0.9 30,-0.3 1,-0.3 29,-0.3 0.664 80.4 46.4 -56.1 -15.0 28.8 54.9 103.8 41 51 B R T 3 S+ 0 0 151 -3,-0.5 2,-0.4 -4,-0.2 -1,-0.3 0.229 91.0 102.3-112.3 12.8 28.5 58.7 104.0 42 52 B D < - 0 0 79 -3,-3.0 2,-0.6 317,-0.0 28,-0.1 -0.789 66.6-135.9 -97.2 138.4 29.0 59.4 100.3 43 53 B R + 0 0 104 -2,-0.4 318,-0.1 1,-0.1 -2,-0.1 -0.847 24.7 174.7-100.0 123.0 26.0 60.2 98.2 44 54 B H S S+ 0 0 66 -2,-0.6 2,-0.4 315,-0.1 -1,-0.1 0.385 71.4 60.3-103.2 -1.3 25.7 58.5 94.8 45 55 B F - 0 0 6 2,-0.1 4,-0.1 1,-0.1 291,-0.0 -0.976 64.0-163.3-126.8 142.6 22.3 59.9 94.1 46 56 B A + 0 0 94 -2,-0.4 2,-0.1 2,-0.1 -1,-0.1 0.535 63.1 81.1-114.2 -7.4 21.7 63.6 93.9 47 57 B G S S- 0 0 21 296,-0.1 2,-0.2 1,-0.1 297,-0.1 -0.470 96.8 -76.8 -84.2 169.1 18.0 63.9 94.3 48 58 B D - 0 0 62 213,-0.2 297,-2.6 -2,-0.1 2,-0.4 -0.481 44.3-159.4 -65.8 130.6 16.3 63.8 97.6 49 59 B V E -b 345 0B 0 295,-0.2 23,-2.5 -2,-0.2 24,-1.6 -0.969 2.4-163.1-109.8 129.0 15.9 60.4 99.1 50 60 B L E -bc 346 73B 0 295,-3.4 297,-2.9 -2,-0.4 2,-0.4 -0.903 6.4-162.5-107.0 129.7 13.3 59.6 101.8 51 61 B G E -bc 347 74B 0 22,-2.3 24,-3.8 -2,-0.4 2,-0.3 -0.919 6.1-148.3-116.3 137.2 13.5 56.5 103.9 52 62 B Y E - c 0 75B 3 295,-1.8 298,-3.3 -2,-0.4 2,-0.4 -0.791 10.2-167.8-101.8 146.3 10.8 54.9 106.0 53 63 B V E - c 0 76B 0 22,-1.6 24,-3.5 -2,-0.3 5,-0.1 -0.999 3.5-165.8-134.2 129.1 11.5 53.1 109.3 54 64 B T B > -L 57 0C 0 3,-0.5 3,-0.9 -2,-0.4 6,-0.3 -0.872 26.6-129.9-116.2 150.8 9.0 50.9 111.1 55 65 B P T 3 S+ 0 0 42 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.740 106.6 59.1 -69.1 -22.6 9.0 49.6 114.7 56 66 B W T 3 S+ 0 0 162 1,-0.3 2,-0.3 2,-0.1 3,-0.1 0.602 108.3 44.1 -83.1 -10.9 8.3 46.0 113.5 57 67 B N B X S+L 54 0C 31 -3,-0.9 3,-1.7 1,-0.1 -3,-0.5 -0.741 73.2 173.9-130.4 76.6 11.4 45.9 111.3 58 68 B S T >> + 0 0 77 -3,-0.4 3,-1.3 -2,-0.3 4,-0.8 0.562 63.0 84.8 -64.7 -11.3 13.8 47.4 113.8 59 69 B H H 3> S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.797 80.3 66.7 -62.6 -24.4 16.7 46.7 111.5 60 70 B G H <> S+ 0 0 0 -3,-1.7 4,-2.4 -6,-0.3 -1,-0.3 0.784 90.1 61.9 -66.8 -27.3 15.7 50.0 109.9 61 71 B Y H <> S+ 0 0 35 -3,-1.3 4,-1.1 -7,-0.2 -1,-0.2 0.907 110.4 39.3 -64.9 -41.2 16.7 51.9 113.0 62 72 B D H X S+ 0 0 86 -4,-0.8 4,-2.3 -3,-0.3 5,-0.2 0.828 111.6 57.2 -77.0 -33.9 20.3 50.6 112.6 63 73 B V H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.934 106.7 50.6 -61.5 -43.0 20.2 51.1 108.8 64 74 B T H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.838 108.8 52.3 -63.9 -34.0 19.4 54.7 109.4 65 75 B K H < S+ 0 0 82 -4,-1.1 3,-0.2 2,-0.2 -1,-0.2 0.944 115.8 38.1 -67.5 -47.6 22.3 55.1 111.8 66 76 B V H < S+ 0 0 52 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.903 131.6 25.8 -70.5 -44.6 24.9 53.7 109.4 67 77 B F H >< S+ 0 0 2 -4,-2.8 3,-2.2 -5,-0.2 4,-0.2 0.173 78.5 122.2-108.8 17.8 23.6 55.2 106.2 68 78 B G G >< + 0 0 0 -4,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.755 69.1 65.5 -50.8 -27.0 21.8 58.3 107.4 69 79 B S G 3 S+ 0 0 29 -29,-0.3 -1,-0.3 1,-0.3 -28,-0.1 0.770 91.0 61.6 -69.2 -25.1 24.0 60.5 105.3 70 80 B K G < S+ 0 0 2 -3,-2.2 2,-0.3 -30,-0.3 -1,-0.3 0.378 98.5 79.6 -81.4 6.3 22.6 59.0 102.0 71 81 B F < - 0 0 8 -3,-1.3 -21,-0.2 -4,-0.2 3,-0.1 -0.870 52.8-170.8-120.2 150.4 19.2 60.3 103.1 72 82 B T S S+ 0 0 18 -23,-2.5 41,-2.1 1,-0.4 2,-0.3 0.696 84.8 15.7-102.7 -32.8 17.5 63.7 103.0 73 83 B Q E -cd 50 113B 17 -24,-1.6 -22,-2.3 39,-0.2 2,-0.4 -0.989 60.2-161.1-142.6 148.3 14.5 62.7 105.1 74 84 B I E -cd 51 114B 0 39,-2.2 41,-2.5 -2,-0.3 -22,-0.2 -0.999 9.6-160.2-128.7 128.8 13.7 59.8 107.4 75 85 B S E -c 52 0B 0 -24,-3.8 -22,-1.6 -2,-0.4 2,-0.3 -0.844 5.0-155.8-116.6 97.4 10.1 59.1 108.1 76 86 B P E -c 53 0B 0 0, 0.0 41,-2.1 0, 0.0 2,-1.7 -0.538 17.3-134.3 -70.3 129.5 9.6 57.0 111.3 77 87 B V + 0 0 8 -24,-3.5 41,-0.1 -2,-0.3 3,-0.0 -0.606 69.8 110.5 -85.7 81.2 6.3 55.2 111.1 78 88 B W + 0 0 1 -2,-1.7 2,-0.3 39,-0.4 -1,-0.2 0.683 52.3 77.8-121.3 -32.3 5.1 56.0 114.6 79 89 B L E -e 118 0B 1 38,-1.1 40,-2.5 -3,-0.5 2,-0.3 -0.646 39.9-179.2-103.0 147.3 2.2 58.4 114.5 80 90 B Q E -eF 119 92B 38 12,-1.7 12,-2.4 -2,-0.3 2,-0.5 -0.945 21.1-139.2-128.8 149.4 -1.5 58.5 113.9 81 91 B L E -eF 120 91B 0 38,-2.2 40,-1.6 -2,-0.3 2,-0.3 -0.956 25.3-172.3-112.7 123.5 -3.9 61.5 114.0 82 92 B K E - F 0 90B 31 8,-3.2 8,-2.3 -2,-0.5 2,-0.7 -0.899 26.2-137.2-122.7 148.2 -7.3 61.0 115.5 83 93 B R E + F 0 89B 33 -2,-0.3 6,-0.2 38,-0.3 3,-0.1 -0.895 23.2 174.9 -96.0 111.1 -10.5 63.0 115.9 84 94 B R E - 0 0 136 4,-2.6 2,-0.3 -2,-0.7 5,-0.2 0.711 64.1 -43.9 -89.9 -22.1 -11.6 62.4 119.5 85 95 B G E > S- F 0 88B 15 3,-1.5 3,-2.7 -3,-0.1 -1,-0.3 -0.974 95.6 -21.3 176.4-176.6 -14.5 64.9 119.1 86 96 B R T 3 S- 0 0 192 1,-0.3 3,-0.1 -2,-0.3 41,-0.0 -0.269 131.4 -14.7 -53.0 118.1 -15.5 68.3 117.9 87 97 B E T 3 S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.746 111.5 119.2 56.3 26.9 -12.4 70.4 117.6 88 98 B M E < +F 85 0B 105 -3,-2.7 -4,-2.6 2,-0.0 -3,-1.5 -0.932 36.6 167.9-124.4 104.8 -10.6 67.8 119.7 89 99 B F E -F 83 0B 17 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.783 11.0-169.4-116.1 161.2 -7.7 66.1 117.9 90 100 B E E -F 82 0B 88 -8,-2.3 -8,-3.2 -2,-0.3 2,-0.6 -0.996 20.4-137.5-152.0 145.8 -4.9 63.9 119.2 91 101 B V E -F 81 0B 10 -2,-0.3 3,-0.4 -10,-0.2 -10,-0.2 -0.908 29.5-168.1-103.9 114.7 -1.6 62.4 118.0 92 102 B T E +F 80 0B 19 -12,-2.4 -12,-1.7 -2,-0.6 -14,-0.0 -0.581 59.2 50.6-100.5 166.0 -1.3 58.7 119.1 93 103 B G > + 0 0 8 -14,-0.2 3,-2.8 -2,-0.2 4,-0.3 0.417 61.1 133.5 91.4 -1.9 1.7 56.5 119.0 94 104 B L G > + 0 0 61 -3,-0.4 3,-1.0 1,-0.3 -15,-0.1 0.687 60.1 73.7 -56.2 -17.6 4.0 58.9 120.7 95 105 B H G 3 S+ 0 0 156 1,-0.2 -1,-0.3 -17,-0.1 -3,-0.0 0.675 92.8 56.1 -71.0 -14.7 5.2 56.1 123.0 96 106 B D G < S+ 0 0 63 -3,-2.8 2,-0.6 -18,-0.2 -1,-0.2 0.591 76.3 110.0 -92.0 -12.7 7.2 54.8 120.0 97 107 B V < - 0 0 18 -3,-1.0 2,-0.8 -4,-0.3 -4,-0.0 -0.539 57.1-155.4 -71.4 115.5 9.2 58.0 119.3 98 108 B D > - 0 0 76 -2,-0.6 4,-1.9 1,-0.2 5,-0.1 -0.816 12.4-175.0 -93.8 103.6 12.7 57.2 120.3 99 109 B Q H > S+ 0 0 73 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.848 83.9 53.0 -68.0 -35.2 14.5 60.4 121.1 100 110 B G H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 108.6 50.4 -67.0 -39.3 17.9 58.8 121.6 101 111 B W H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 110.7 49.1 -64.2 -43.8 17.7 57.2 118.2 102 112 B M H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.952 111.0 50.1 -61.9 -46.7 16.8 60.5 116.6 103 113 B R H X S+ 0 0 206 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.873 111.6 50.5 -58.8 -36.0 19.7 62.2 118.4 104 114 B A H >X S+ 0 0 32 -4,-2.1 4,-1.4 2,-0.2 3,-0.6 0.919 111.1 44.8 -68.9 -47.1 22.0 59.4 117.1 105 115 B V H 3X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.846 112.4 52.8 -67.9 -32.7 21.0 59.5 113.5 106 116 B R H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.634 102.9 60.7 -77.2 -13.1 21.2 63.3 113.5 107 117 B K H << S+ 0 0 166 -3,-0.6 3,-0.5 -4,-0.6 -2,-0.2 0.946 116.0 28.7 -76.5 -51.7 24.8 63.2 114.9 108 118 B H H < S+ 0 0 49 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.636 129.6 42.6 -82.2 -17.0 26.3 61.2 112.0 109 119 B A S < S- 0 0 4 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.2 -0.148 75.5-179.6-125.7 39.3 23.8 62.7 109.4 110 120 B K S S+ 0 0 180 -3,-0.5 3,-0.1 1,-0.2 -3,-0.1 0.013 70.4 36.6 -41.5 140.2 23.4 66.4 110.0 111 121 B G S S+ 0 0 67 1,-0.4 2,-0.5 -5,-0.1 -1,-0.2 0.631 87.0 132.1 85.6 15.1 21.0 68.2 107.7 112 122 B L - 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0 0 5 -68,-0.1 3,-2.2 1,-0.1 4,-0.4 -0.871 35.3-122.5-107.5 139.1 -26.0 50.8 61.4 717 365 A D G > S+ 0 0 27 -2,-0.4 3,-0.9 1,-0.3 4,-0.2 0.766 106.4 59.0 -49.7 -37.4 -28.0 53.6 59.8 718 366 A Y G > S+ 0 0 9 -324,-1.7 3,-0.9 1,-0.2 4,-0.3 0.528 85.2 82.4 -77.3 2.5 -29.8 54.9 62.8 719 367 A F G X S+ 0 0 1 -3,-2.2 3,-2.4 1,-0.2 4,-0.4 0.926 81.6 64.0 -65.4 -43.5 -26.4 55.6 64.5 720 368 A Y G X S+ 0 0 2 -3,-0.9 3,-0.8 -4,-0.4 -1,-0.2 0.651 82.6 75.7 -56.3 -18.7 -26.2 58.8 62.6 721 369 A D G < S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.817 94.1 54.8 -62.4 -28.5 -29.3 60.1 64.4 722 370 A L G < 0 0 2 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.706 360.0 360.0 -77.4 -22.5 -26.9 60.6 67.3 723 371 A L < 0 0 5 -3,-0.8 -316,-1.5 -4,-0.4 -1,-0.2 0.694 360.0 360.0 -82.9 360.0 -24.4 62.8 65.4