==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-11 3V8E . COMPND 2 MOLECULE: NICOTINAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.A.HOADLEY,B.C.SMITH,J.M.DENU,J.L.KECK . 1512 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1038 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 254 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 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 . 0 0.0 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 . 94 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 224 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.8 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 7 0 0 7 0 8 9 9 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 14 0 7 0 11 17 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 . 14 0 0 0 7 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 . 7 0 0 0 7 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 1 A M 0 0 106 0, 0.0 154,-2.8 0, 0.0 155,-2.5 0.000 360.0 360.0 360.0 172.2 -44.4 93.5 16.0 2 2 A K E -ab 43 156A 61 40,-0.5 42,-2.2 152,-0.2 43,-1.2 -0.771 360.0-173.6 -97.6 131.2 -46.3 91.1 18.4 3 3 A T E -ab 45 157A 0 153,-2.7 155,-2.7 -2,-0.4 2,-0.5 -0.989 14.1-147.2-120.8 130.0 -44.9 88.0 20.0 4 4 A L E -ab 46 158A 0 41,-2.3 43,-3.2 -2,-0.4 2,-0.6 -0.842 10.1-161.8 -92.2 127.0 -47.0 85.5 22.0 5 5 A I E -ab 47 159A 0 153,-3.4 155,-2.3 -2,-0.5 2,-0.7 -0.960 1.6-160.6-110.5 119.8 -45.2 83.9 24.9 6 6 A V E -ab 48 160A 0 41,-2.8 43,-2.3 -2,-0.6 2,-0.6 -0.889 18.6-142.6-103.5 113.1 -46.9 80.7 26.1 7 7 A V E -ab 49 161A 0 153,-3.2 155,-2.4 -2,-0.7 3,-0.1 -0.713 53.5 -39.7 -96.5 115.7 -45.5 80.0 29.6 8 8 A D + 0 0 0 -2,-0.6 2,-2.4 41,-0.6 -1,-0.2 0.802 60.8 172.5 50.6 46.2 -44.8 76.5 31.0 9 9 A M + 0 0 0 40,-0.4 96,-2.7 -3,-0.3 2,-0.3 -0.461 32.0 146.2 -79.9 68.7 -47.8 74.6 29.6 10 10 A Q B >> -F 104 0B 0 -2,-2.4 4,-2.3 94,-0.3 3,-1.5 -0.767 63.0-111.1-113.9 155.1 -46.2 71.4 30.8 11 11 A N H 3> S+ 0 0 10 92,-2.4 4,-2.0 89,-0.4 7,-0.3 0.863 112.6 58.4 -49.1 -48.2 -47.7 68.1 32.1 12 12 A D H 34 S+ 0 0 13 89,-2.6 8,-2.1 1,-0.2 -1,-0.3 0.782 117.9 34.5 -59.7 -24.8 -46.5 68.6 35.7 13 13 A F H <4 S+ 0 0 0 -3,-1.5 9,-3.6 88,-0.3 -1,-0.2 0.752 128.1 33.5 -94.9 -31.3 -48.5 71.8 35.9 14 14 A I H < S+ 0 0 3 -4,-2.3 12,-0.3 7,-0.2 -3,-0.2 0.882 100.0 73.5 -99.5 -41.4 -51.5 71.0 33.7 15 15 A S S >< S- 0 0 9 -4,-2.0 3,-1.7 -5,-0.2 5,-0.2 -0.472 72.9-134.2 -77.2 142.2 -52.3 67.3 34.1 16 16 A P T 3 S+ 0 0 87 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.874 113.3 59.1 -59.7 -32.0 -54.0 66.1 37.3 17 17 A L T 3 S+ 0 0 28 3,-0.1 -5,-0.1 2,-0.0 84,-0.1 0.628 87.9 108.6 -67.4 -13.3 -51.4 63.3 37.1 18 18 A G S X S- 0 0 9 -3,-1.7 3,-0.6 -7,-0.3 -6,-0.2 -0.226 77.7-126.7 -65.1 155.4 -48.8 66.1 37.2 19 19 A S T 3 S+ 0 0 51 1,-0.2 -6,-0.1 74,-0.0 -1,-0.1 0.590 105.4 28.3 -81.7 -9.1 -46.7 66.5 40.4 20 20 A L T 3 S- 0 0 5 -8,-2.1 -1,-0.2 -5,-0.2 -3,-0.1 -0.297 85.3-168.9-145.3 55.6 -47.6 70.2 40.8 21 21 A T < - 0 0 52 -3,-0.6 -7,-0.2 -5,-0.2 -8,-0.2 -0.205 17.1-140.4 -59.8 128.3 -51.0 70.7 39.2 22 22 A V > - 0 0 1 -9,-3.6 3,-2.1 1,-0.0 4,-0.3 -0.746 34.8-111.0 -77.6 123.9 -52.3 74.2 38.6 23 23 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.0 0, 0.0 170,-0.0 -0.350 100.3 6.3 -61.9 143.8 -56.1 74.1 39.5 24 24 A K T > S+ 0 0 138 1,-0.1 3,-1.4 166,-0.1 4,-0.3 0.596 91.9 132.9 59.0 15.2 -58.3 74.5 36.5 25 25 A G G X + 0 0 1 -3,-2.1 3,-1.7 1,-0.3 4,-0.4 0.829 59.3 65.3 -67.7 -31.0 -55.1 74.3 34.4 26 26 A E G > S+ 0 0 101 -12,-0.3 3,-0.8 -4,-0.3 4,-0.4 0.729 88.5 70.2 -60.7 -21.4 -56.6 71.8 32.0 27 27 A E G < S+ 0 0 110 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.699 92.6 58.9 -71.1 -18.4 -59.1 74.5 30.9 28 28 A L G <> S+ 0 0 2 -3,-1.7 4,-2.6 -4,-0.3 5,-0.4 0.673 82.7 81.9 -83.1 -20.7 -56.2 76.4 29.2 29 29 A I H <> S+ 0 0 29 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.1 0.939 98.4 34.1 -57.8 -57.4 -55.1 73.7 26.7 30 30 A N H > S+ 0 0 76 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.956 118.6 49.2 -67.3 -50.5 -57.7 74.3 24.0 31 31 A P H > S+ 0 0 51 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.907 114.2 46.3 -57.1 -42.6 -58.1 78.0 24.2 32 32 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.915 111.4 52.3 -64.8 -40.8 -54.4 78.6 24.2 33 33 A S H X S+ 0 0 1 -4,-2.1 4,-1.0 -5,-0.4 -1,-0.2 0.904 112.1 46.0 -58.7 -42.6 -54.0 76.2 21.3 34 34 A D H X S+ 0 0 105 -4,-2.8 4,-0.6 2,-0.2 3,-0.5 0.906 110.2 54.1 -64.5 -44.6 -56.8 78.3 19.5 35 35 A L H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.930 104.5 54.5 -55.1 -47.3 -55.0 81.5 20.4 36 36 A M H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 114.2 41.2 -55.8 -33.4 -51.7 80.2 18.9 37 37 A Q H 3< S+ 0 0 103 -4,-1.0 2,-0.8 -3,-0.5 -1,-0.2 0.400 83.8 115.5 -97.8 -0.1 -53.5 79.6 15.6 38 38 A D X< - 0 0 61 -3,-1.3 3,-1.5 -4,-0.6 5,-0.4 -0.624 46.0-166.0 -84.5 108.7 -55.7 82.7 15.4 39 39 A A G > S+ 0 0 83 -2,-0.8 3,-1.6 1,-0.3 -1,-0.2 0.789 84.4 67.4 -63.5 -30.7 -54.6 84.8 12.4 40 40 A D G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.763 90.0 64.9 -58.5 -28.2 -56.7 87.8 13.7 41 41 A R G < S- 0 0 61 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.637 98.1-140.3 -72.0 -14.2 -54.2 88.0 16.6 42 42 A D < - 0 0 107 -3,-1.6 2,-0.7 -4,-0.3 -40,-0.5 0.878 26.1-175.9 54.7 45.4 -51.4 88.9 14.2 43 43 A W E -a 2 0A 38 -5,-0.4 -1,-0.2 1,-0.2 -40,-0.2 -0.633 14.8-175.2 -70.6 113.2 -48.7 86.9 16.0 44 44 A H E S+ 0 0 66 -42,-2.2 2,-0.3 -2,-0.7 -41,-0.2 0.853 75.8 2.1 -71.5 -36.9 -45.5 87.5 14.1 45 45 A R E -a 3 0A 91 -43,-1.2 -41,-2.3 -3,-0.1 2,-0.4 -0.986 62.1-152.3-146.7 154.3 -43.9 84.9 16.4 46 46 A I E -a 4 0A 23 -2,-0.3 72,-0.8 -43,-0.2 2,-0.4 -0.987 10.6-169.0-123.1 136.8 -44.8 82.5 19.1 47 47 A V E -ac 5 118A 0 -43,-3.2 -41,-2.8 -2,-0.4 2,-0.4 -0.995 4.5-160.6-124.2 131.3 -42.4 81.4 21.8 48 48 A V E -ac 6 119A 0 70,-2.8 72,-2.3 -2,-0.4 2,-0.3 -0.898 10.8-154.1-106.1 145.5 -43.2 78.5 24.2 49 49 A T E -ac 7 120A 0 -43,-2.3 -41,-0.6 -2,-0.4 -40,-0.4 -0.839 7.6-166.4-116.3 154.8 -41.2 78.1 27.5 50 50 A R E - c 0 121A 41 70,-2.1 72,-2.5 -2,-0.3 2,-0.4 -1.000 25.5-126.7-138.5 138.3 -40.4 75.1 29.7 51 51 A D E - c 0 122A 0 -2,-0.3 2,-0.2 70,-0.2 72,-0.2 -0.707 30.9-173.4 -70.7 135.0 -39.1 74.5 33.2 52 52 A W + 0 0 40 70,-2.4 44,-0.2 -2,-0.4 43,-0.1 -0.623 12.1 174.3-139.2 70.8 -36.3 72.2 32.5 53 53 A H B -g 96 0C 0 42,-2.4 44,-2.8 -2,-0.2 71,-0.2 -0.524 30.2-130.8 -91.5 145.2 -34.9 71.0 35.9 54 54 A P > - 0 0 22 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.548 33.7-113.3 -77.4 160.3 -32.3 68.5 36.9 55 55 A S T 3 S+ 0 0 60 1,-0.3 8,-0.1 -2,-0.2 5,-0.1 0.793 117.1 57.0 -67.1 -22.7 -33.5 66.1 39.6 56 56 A R T 3 S+ 0 0 193 6,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.276 78.2 149.6 -88.1 12.0 -31.0 67.7 42.0 57 57 A H X - 0 0 0 -3,-1.7 3,-2.0 1,-0.1 6,-0.3 -0.133 53.2-130.1 -53.5 134.8 -32.4 71.2 41.6 58 58 A I T 3 S+ 0 0 41 68,-2.4 -1,-0.1 1,-0.3 69,-0.1 0.704 102.8 65.6 -59.9 -19.7 -32.1 73.4 44.7 59 59 A S T 3 S+ 0 0 0 69,-0.2 32,-3.2 67,-0.1 2,-0.6 0.573 80.4 92.7 -84.5 -7.4 -35.8 74.3 44.5 60 60 A F B X -h 91 0D 0 -3,-2.0 3,-2.0 30,-0.2 30,-0.1 -0.766 69.9-145.1 -87.9 124.4 -37.0 70.8 45.3 61 61 A A G > S+ 0 0 1 30,-2.1 3,-1.8 -2,-0.6 6,-0.3 0.818 97.2 71.7 -51.4 -34.3 -37.7 70.1 49.0 62 62 A K G 3 S+ 0 0 125 29,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.803 91.4 58.3 -53.9 -28.3 -36.4 66.5 48.3 63 63 A N G < S+ 0 0 50 -3,-2.0 2,-0.4 -6,-0.3 -1,-0.3 0.139 97.4 75.5 -91.5 20.9 -32.9 67.9 48.0 64 64 A H S X S- 0 0 31 -3,-1.8 3,-1.3 3,-0.3 -1,-0.1 -0.965 80.6-124.1-140.6 117.6 -32.9 69.4 51.5 65 65 A K T 3 S+ 0 0 178 -2,-0.4 -2,-0.1 1,-0.2 3,-0.1 -0.245 93.5 2.6 -50.0 137.1 -32.6 67.7 54.8 66 66 A D T 3 S+ 0 0 139 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.744 106.0 110.5 51.7 31.0 -35.5 68.2 57.2 67 67 A K < - 0 0 72 -3,-1.3 -3,-0.3 -6,-0.3 -1,-0.1 -0.991 49.6-160.7-137.4 130.8 -37.4 70.4 54.8 68 68 A E > - 0 0 128 -2,-0.4 3,-1.7 1,-0.2 22,-0.2 -0.620 37.1 -69.2-109.9 162.8 -40.7 69.3 53.1 69 69 A P T 3 S+ 0 0 56 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.162 117.2 22.5 -57.8 145.8 -42.5 70.5 50.0 70 70 A Y T 3 S+ 0 0 136 20,-3.1 21,-0.2 1,-0.3 2,-0.1 0.456 91.9 132.8 74.4 5.7 -44.1 74.0 50.2 71 71 A S < - 0 0 27 -3,-1.7 19,-3.1 19,-0.3 -1,-0.3 -0.444 60.7-106.1 -81.5 161.9 -41.7 75.1 52.9 72 72 A T E -I 89 0E 67 17,-0.2 2,-0.3 -2,-0.1 17,-0.2 -0.636 38.2-176.6 -88.9 144.2 -39.9 78.5 52.9 73 73 A Y E -I 88 0E 65 15,-2.6 15,-2.5 -2,-0.3 2,-0.7 -0.988 26.7-126.1-143.4 148.8 -36.2 78.6 52.1 74 74 A T E -I 87 0E 59 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.868 27.2-156.1 -98.5 107.5 -33.5 81.2 52.0 75 75 A Y E -I 86 0E 6 11,-3.0 11,-2.1 -2,-0.7 2,-0.4 -0.586 5.6-144.5 -82.0 146.8 -31.7 81.2 48.6 76 76 A H E -I 85 0E 118 9,-0.2 9,-0.2 -2,-0.2 7,-0.1 -0.943 27.0-100.0-115.4 131.5 -28.2 82.6 48.4 77 77 A S - 0 0 11 7,-2.4 4,-0.1 -2,-0.4 51,-0.0 -0.130 24.5-144.5 -40.3 132.4 -26.8 84.4 45.4 78 78 A P S S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 50,-0.0 0.699 71.5 101.5 -77.1 -20.6 -24.7 82.1 43.2 79 79 A R S > S- 0 0 95 1,-0.1 3,-0.9 2,-0.1 2,-0.1 -0.487 84.5-113.0 -63.5 129.1 -22.2 84.9 42.3 80 80 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.440 100.4 20.0 -70.6 138.0 -19.1 84.4 44.5 81 81 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 -2,-0.1 -2,-0.1 -0.059 100.0 108.2 91.3 -32.4 -18.5 87.3 47.0 82 82 A D < + 0 0 57 -3,-0.9 -1,-0.3 1,-0.1 -6,-0.0 -0.671 42.0 175.7 -76.0 129.6 -22.2 88.3 46.6 83 83 A D + 0 0 136 -2,-0.4 -1,-0.1 -3,-0.1 2,-0.1 0.076 29.5 127.2-129.0 21.3 -24.1 87.3 49.8 84 84 A S - 0 0 53 -8,-0.1 -7,-2.4 1,-0.0 2,-0.3 -0.331 41.4-156.4 -72.0 167.5 -27.6 88.7 49.2 85 85 A T E -I 76 0E 70 -9,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.931 10.8-148.1-144.9 157.0 -30.5 86.3 49.6 86 86 A Q E -I 75 0E 76 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.2 -0.995 20.7-122.8-138.6 136.6 -34.1 85.7 48.6 87 87 A E E +I 74 0E 142 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.521 45.8 163.4 -66.4 132.5 -37.1 84.1 50.3 88 88 A G E -I 73 0E 14 -15,-2.5 -15,-2.6 -2,-0.2 2,-0.5 -0.913 37.4-106.1-148.4 173.2 -38.5 81.2 48.2 89 89 A I E -I 72 0E 40 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.911 22.7-140.1-107.0 127.7 -40.7 78.2 48.2 90 90 A L - 0 0 0 -19,-3.1 -20,-3.1 -2,-0.5 -19,-0.3 -0.737 32.3-159.9 -80.8 135.5 -39.3 74.6 48.1 91 91 A W B -h 60 0D 7 -32,-3.2 -30,-2.1 -2,-0.4 -29,-0.5 -0.629 23.0 -90.7-113.7 164.7 -41.5 72.5 45.8 92 92 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.404 66.2 -82.3 -58.6 153.9 -42.4 69.0 44.9 93 93 A V S S+ 0 0 52 -33,-0.1 2,-0.3 -2,-0.1 -38,-0.1 -0.454 71.5 156.2 -57.9 127.8 -40.1 67.5 42.3 94 94 A H + 0 0 0 -2,-0.2 -41,-0.2 1,-0.1 8,-0.1 -0.985 42.9 20.4-155.1 162.1 -41.5 68.7 38.9 95 95 A C + 0 0 0 -2,-0.3 -42,-2.4 6,-0.2 2,-0.2 0.803 68.8 179.7 45.1 40.2 -40.6 69.4 35.3 96 96 A V B > -g 53 0C 25 -44,-0.2 3,-1.4 1,-0.1 6,-0.5 -0.518 40.4 -93.0 -67.1 134.6 -37.4 67.2 35.5 97 97 A K T 3 S+ 0 0 49 -44,-2.8 -1,-0.1 1,-0.2 3,-0.1 -0.180 104.5 8.9 -58.2 140.5 -35.7 67.2 32.1 98 98 A N T 3 S+ 0 0 97 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.677 101.7 117.0 62.5 24.4 -36.7 64.4 29.6 99 99 A T S X> S- 0 0 52 -3,-1.4 3,-1.7 1,-0.1 4,-0.8 -0.845 80.7-109.3-112.8 156.7 -39.6 63.1 31.8 100 100 A W G >4 S+ 0 0 14 -2,-0.3 3,-1.6 1,-0.3 -89,-0.4 0.906 117.0 61.4 -42.4 -49.4 -43.2 63.0 30.9 101 101 A G G 34 S+ 0 0 3 1,-0.3 -89,-2.6 -90,-0.2 -88,-0.3 0.735 103.1 48.0 -55.0 -27.0 -43.8 65.8 33.5 102 102 A S G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 -6,-0.5 -2,-0.2 0.531 87.4 109.4 -96.5 -4.7 -41.6 68.3 31.7 103 103 A Q S << S- 0 0 17 -3,-1.6 -92,-2.4 -4,-0.8 -91,-0.2 -0.456 79.6-109.2 -66.2 136.0 -43.2 67.7 28.2 104 104 A L B -F 10 0B 6 -94,-0.2 -94,-0.3 -2,-0.2 -1,-0.1 -0.416 54.8 -85.4 -54.5 142.2 -45.3 70.4 26.8 105 105 A V >> - 0 0 6 -96,-2.7 4,-2.7 1,-0.1 3,-1.2 -0.300 45.9-106.3 -59.1 140.5 -48.9 69.2 26.9 106 106 A D H 3> S+ 0 0 53 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.774 116.4 49.9 -33.7 -55.2 -49.7 67.1 23.9 107 107 A Q H 3> S+ 0 0 63 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.866 117.1 41.0 -64.1 -37.2 -51.9 69.6 22.1 108 108 A I H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.928 113.4 53.0 -73.4 -47.2 -49.3 72.4 22.5 109 109 A M H X S+ 0 0 28 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.903 104.7 57.3 -53.4 -43.4 -46.4 70.1 21.7 110 110 A D H X S+ 0 0 16 -4,-2.9 4,-2.3 -5,-0.3 5,-0.3 0.921 109.0 44.9 -54.0 -48.1 -48.1 69.1 18.5 111 111 A Q H X S+ 0 0 8 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.925 113.4 50.2 -59.3 -47.4 -48.3 72.8 17.4 112 112 A V H X>S+ 0 0 8 -4,-2.5 5,-1.8 1,-0.2 4,-0.6 0.904 113.2 45.6 -62.2 -45.1 -44.6 73.4 18.4 113 113 A V H ><5S+ 0 0 32 -4,-3.1 3,-0.6 3,-0.2 -1,-0.2 0.953 119.2 38.4 -64.6 -51.7 -43.4 70.3 16.5 114 114 A T H 3<5S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.882 124.1 39.7 -74.0 -35.1 -45.3 70.8 13.3 115 115 A K H 3<5S- 0 0 107 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.384 104.9-125.5 -91.4 5.4 -45.0 74.7 13.2 116 116 A H T <<5 - 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