==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-95 1CYD . COMPND 2 MOLECULE: CARBONYL REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.TANAKA,T.NONAKA,Y.MITSUI . 968 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 742 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 72 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 4 0 4 0 8 4 8 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 12 4 4 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 3 A L 0 0 117 0, 0.0 2,-0.5 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 161.8 6.3 28.7 17.4 2 4 A N + 0 0 116 1,-0.1 27,-0.1 2,-0.1 26,-0.1 -0.959 360.0 163.9-119.5 117.7 7.2 31.6 19.7 3 5 A F > + 0 0 6 25,-2.4 3,-2.4 -2,-0.5 28,-0.3 0.158 25.1 150.9-114.8 16.7 10.7 32.0 20.9 4 6 A S T 3 + 0 0 69 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.216 69.1 20.6 -52.1 133.0 10.3 35.6 22.1 5 7 A G T 3 S+ 0 0 76 24,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.340 102.8 110.8 88.8 -8.0 12.7 36.3 25.0 6 8 A L < - 0 0 59 -3,-2.4 25,-3.2 23,-0.1 2,-0.5 -0.725 56.6-145.3-102.0 152.3 15.0 33.5 24.1 7 9 A R E -a 31 0A 30 -2,-0.3 69,-3.4 23,-0.2 70,-1.9 -0.964 18.0-169.6-119.6 127.0 18.6 33.7 22.7 8 10 A A E -ab 32 77A 0 23,-3.2 25,-3.0 -2,-0.5 2,-0.4 -0.805 14.0-154.0-115.7 157.0 19.8 31.1 20.2 9 11 A L E -ab 33 78A 1 68,-2.4 70,-2.5 -2,-0.3 2,-0.5 -0.999 12.9-173.3-130.3 122.9 23.2 30.3 18.8 10 12 A V E -ab 34 79A 0 23,-2.3 25,-2.6 -2,-0.4 3,-0.5 -0.989 10.5-151.3-120.9 122.5 23.3 28.6 15.4 11 13 A T E S+a 35 0A 5 68,-2.2 25,-0.2 -2,-0.5 70,-0.2 -0.639 80.2 28.1 -92.2 154.3 26.7 27.4 13.9 12 14 A G S > S+ 0 0 15 23,-1.5 3,-0.6 -2,-0.2 6,-0.4 0.900 77.9 154.0 63.2 40.6 27.4 27.2 10.2 13 15 A A T 3 + 0 0 0 22,-2.0 23,-0.2 -3,-0.5 9,-0.1 0.534 46.0 79.9 -78.4 -10.2 24.8 30.0 9.8 14 16 A G T 3 S+ 0 0 1 21,-0.2 2,-0.3 4,-0.0 -1,-0.2 0.767 99.4 15.8 -72.7 -25.1 26.2 31.4 6.6 15 17 A K S X> S- 0 0 99 -3,-0.6 4,-1.7 167,-0.0 3,-0.6 -0.891 103.3 -14.2-143.5 170.2 24.7 28.9 4.2 16 18 A G H 3> S+ 0 0 28 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.054 118.6 3.3 42.1-130.9 22.1 26.2 3.7 17 19 A I H 3> S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 134.2 50.6 -53.0 -48.1 20.3 24.6 6.6 18 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 -6,-0.4 -1,-0.2 0.905 107.9 52.7 -59.7 -43.3 22.0 26.9 9.2 19 21 A R H X S+ 0 0 32 -4,-1.7 4,-1.9 -7,-0.3 -2,-0.2 0.950 113.0 43.1 -59.1 -49.1 21.1 30.1 7.2 20 22 A D H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.764 108.6 58.8 -69.5 -25.2 17.4 29.2 7.1 21 23 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.930 106.4 48.8 -69.6 -40.6 17.4 28.1 10.7 22 24 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.921 111.2 49.9 -61.7 -46.9 18.6 31.6 11.7 23 25 A K H X S+ 0 0 78 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.926 111.6 48.2 -58.4 -47.0 15.9 33.1 9.5 24 26 A A H X S+ 0 0 22 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.906 114.4 44.9 -60.9 -46.2 13.2 30.9 11.1 25 27 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.4 0.903 113.2 51.2 -65.9 -39.1 14.3 31.7 14.7 26 28 A H H ><5S+ 0 0 58 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.938 109.4 50.2 -62.2 -46.4 14.7 35.4 13.9 27 29 A A H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.6 59.1 -65.2 -20.5 11.1 35.4 12.5 28 30 A S T 3<5S- 0 0 22 -4,-0.9 -25,-2.4 -3,-0.4 -24,-0.4 0.252 122.5-102.5 -92.6 8.0 10.0 33.7 15.7 29 31 A G T < 5S+ 0 0 41 -3,-1.8 -24,-0.8 1,-0.3 -3,-0.2 0.496 74.4 140.5 87.4 2.3 11.2 36.5 17.9 30 32 A A < - 0 0 5 -5,-2.2 2,-0.6 -26,-0.2 -1,-0.3 -0.503 56.8-121.1 -80.5 147.2 14.4 34.8 19.2 31 33 A K E -a 7 0A 71 -25,-3.2 -23,-3.2 -28,-0.3 2,-0.5 -0.812 38.7-153.0 -84.5 122.3 17.6 36.8 19.6 32 34 A V E -a 8 0A 0 -2,-0.6 21,-2.8 -25,-0.2 2,-0.6 -0.902 22.7-164.4-114.0 128.6 20.1 35.0 17.3 33 35 A V E -ac 9 53A 0 -25,-3.0 -23,-2.3 -2,-0.5 2,-0.6 -0.906 20.6-158.8-100.8 113.6 23.9 34.7 17.5 34 36 A A E -ac 10 54A 0 19,-2.1 21,-2.4 -2,-0.6 2,-0.5 -0.903 7.3-169.3-101.6 122.7 24.9 33.4 14.0 35 37 A V E +ac 11 55A 0 -25,-2.6 -22,-2.0 -2,-0.6 -23,-1.5 -0.941 20.4 145.9-114.1 122.6 28.4 31.7 13.9 36 38 A T E - c 0 56A 12 19,-2.2 21,-1.7 -2,-0.5 6,-0.0 -0.976 49.5-121.3-152.1 165.8 29.9 31.0 10.5 37 39 A R S S+ 0 0 154 -2,-0.3 2,-0.7 19,-0.2 -1,-0.1 0.830 92.2 60.9 -78.8 -39.3 33.3 30.7 8.7 38 40 A T >> - 0 0 41 1,-0.1 3,-1.3 19,-0.0 4,-0.8 -0.861 65.9-156.1-100.2 117.1 32.9 33.2 5.8 39 41 A N H >> S+ 0 0 90 -2,-0.7 4,-1.8 1,-0.3 3,-0.8 0.838 88.5 64.4 -57.5 -41.4 32.3 36.8 6.9 40 42 A S H 3> S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.782 98.6 56.8 -56.2 -28.1 30.5 37.9 3.7 41 43 A D H <> S+ 0 0 25 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.854 106.2 49.8 -69.3 -38.3 27.7 35.5 4.4 42 44 A L H X S+ 0 0 40 -4,-1.8 4,-1.8 1,-0.2 3,-0.7 0.899 114.1 53.7 -72.9 -36.6 24.2 39.6 3.7 45 47 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.875 103.5 57.3 -64.1 -36.6 22.4 37.7 6.5 46 48 A A H 3< S+ 0 0 37 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.772 105.5 50.6 -65.5 -26.4 22.5 40.8 8.7 47 49 A K H << S+ 0 0 160 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.906 116.5 40.8 -74.1 -45.0 20.7 42.8 6.0 48 50 A E H < S+ 0 0 99 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.782 127.1 33.6 -72.3 -31.7 18.0 40.1 5.7 49 51 A C S >< S- 0 0 6 -4,-2.9 3,-1.9 -5,-0.2 -1,-0.2 -0.528 80.8-162.8-128.8 70.1 17.8 39.6 9.5 50 52 A P T 3 S+ 0 0 86 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.200 74.8 35.4 -52.3 131.6 18.5 42.9 11.3 51 53 A G T 3 S+ 0 0 53 1,-0.4 -5,-0.1 -5,-0.2 -19,-0.0 0.099 80.9 127.2 111.7 -25.7 19.3 42.3 14.9 52 54 A I < - 0 0 13 -3,-1.9 -1,-0.4 -7,-0.1 -19,-0.2 -0.306 59.2-127.1 -64.7 153.7 21.3 39.1 14.7 53 55 A E E -c 33 0A 65 -21,-2.8 -19,-2.1 -3,-0.1 2,-0.2 -0.900 24.9-150.4-106.4 102.8 24.7 39.0 16.2 54 56 A P E -c 34 0A 68 0, 0.0 2,-0.4 0, 0.0 -19,-0.2 -0.535 14.8-176.3 -76.8 139.1 27.3 37.8 13.7 55 57 A V E -c 35 0A 24 -21,-2.4 -19,-2.2 -2,-0.2 2,-0.6 -0.972 9.3-159.3-136.8 116.4 30.4 35.9 14.8 56 58 A C E +c 36 0A 57 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.892 34.4 131.9-100.5 116.5 33.0 34.9 12.2 57 59 A V - 0 0 9 -21,-1.7 2,-0.8 -2,-0.6 -2,-0.1 -0.984 58.7-113.1-159.5 155.7 35.2 32.1 13.3 58 60 A D > - 0 0 51 -2,-0.3 3,-1.9 1,-0.1 7,-0.3 -0.902 23.9-158.5 -95.4 110.1 36.6 28.7 12.1 59 61 A L T 3 S+ 0 0 12 -2,-0.8 -1,-0.1 1,-0.3 53,-0.1 0.601 88.6 69.8 -65.2 -12.8 35.0 26.2 14.4 60 62 A G T 3 S+ 0 0 11 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.673 85.9 79.2 -77.3 -15.9 37.8 23.8 13.5 61 63 A D <> - 0 0 74 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 -0.812 64.7-167.2 -97.7 104.9 40.1 26.1 15.6 62 64 A W H > S+ 0 0 33 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.894 86.9 44.8 -57.5 -46.3 39.6 25.4 19.3 63 65 A D H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 114.2 47.0 -69.5 -41.6 41.5 28.5 20.5 64 66 A A H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 113.6 51.3 -64.4 -41.5 39.9 30.9 18.0 65 67 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 -7,-0.3 5,-0.3 0.922 109.1 48.8 -61.5 -44.9 36.5 29.4 18.9 66 68 A E H X S+ 0 0 105 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.867 113.9 47.8 -63.6 -34.2 37.1 29.9 22.6 67 69 A K H < S+ 0 0 146 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.922 115.7 42.9 -71.3 -44.5 38.1 33.5 22.0 68 70 A A H < S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.785 128.5 26.2 -73.6 -31.3 35.1 34.3 19.8 69 71 A L H >< S+ 0 0 4 -4,-2.4 3,-1.4 -5,-0.2 4,-0.3 0.491 89.5 98.1-113.1 -6.1 32.5 32.5 21.9 70 72 A G T 3< S+ 0 0 58 -4,-1.4 -3,-0.1 -5,-0.3 -2,-0.1 0.717 99.4 27.8 -56.3 -23.3 33.9 32.6 25.4 71 73 A G T 3 S+ 0 0 73 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.053 75.6 118.6-130.8 31.3 31.8 35.7 26.1 72 74 A I < - 0 0 37 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.780 65.9-145.5 -67.4 -22.2 28.7 35.7 24.0 73 75 A G + 0 0 29 -4,-0.3 -1,-0.2 -3,-0.1 2,-0.2 -0.643 51.3 14.6 96.8-156.6 26.6 35.6 27.1 74 76 A P + 0 0 65 0, 0.0 2,-0.4 0, 0.0 42,-0.1 -0.390 58.3 179.0 -64.1 126.6 23.2 33.8 27.8 75 77 A V + 0 0 1 41,-0.2 -67,-0.2 -2,-0.2 3,-0.1 -0.999 12.1 172.8-130.1 125.4 22.2 31.2 25.2 76 78 A D S S+ 0 0 19 -69,-3.4 52,-1.4 -2,-0.4 2,-0.4 0.651 71.5 40.7-104.0 -24.7 18.9 29.3 25.7 77 79 A L E -bd 8 128A 8 -70,-1.9 -68,-2.4 50,-0.2 2,-0.4 -0.986 66.4-170.9-132.7 123.9 18.8 27.4 22.3 78 80 A L E -bd 9 129A 0 50,-2.2 52,-2.7 -2,-0.4 2,-0.5 -0.942 8.0-173.6-120.3 130.7 21.8 25.8 20.6 79 81 A V E -bd 10 130A 0 -70,-2.5 -68,-2.2 -2,-0.4 2,-1.2 -0.958 9.9-160.5-122.4 106.8 21.9 24.4 17.1 80 82 A N E + d 0 131A 5 50,-2.7 52,-2.8 -2,-0.5 -70,-0.1 -0.785 38.4 140.1 -87.1 97.2 25.2 22.6 16.3 81 83 A N + 0 0 22 -2,-1.2 -1,-0.2 -70,-0.2 -69,-0.2 0.673 21.5 111.9-114.7 -27.2 25.0 22.7 12.5 82 84 A A + 0 0 18 -3,-0.2 2,-0.3 -47,-0.1 -70,-0.1 -0.248 38.3 140.0 -55.0 134.8 28.4 23.5 11.0 83 85 A A - 0 0 26 -71,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.966 33.7-146.3-168.4 160.5 30.0 20.6 9.1 84 86 A L - 0 0 42 -2,-0.3 2,-0.5 17,-0.2 21,-0.1 -0.985 10.5-140.0-138.6 149.5 32.1 19.8 6.0 85 87 A V - 0 0 10 -2,-0.3 2,-0.6 2,-0.0 59,-0.1 -0.950 13.6-177.3-112.2 120.1 32.2 16.9 3.7 86 88 A I - 0 0 50 -2,-0.5 2,-0.5 11,-0.1 61,-0.3 -0.955 23.9-145.3-117.3 103.5 35.6 15.6 2.3 87 89 A M + 0 0 64 -2,-0.6 57,-0.2 59,-0.1 56,-0.1 -0.628 35.2 144.9 -78.7 122.4 34.7 12.8 -0.1 88 90 A Q B -g 144 0B 32 55,-1.9 57,-0.5 -2,-0.5 58,-0.4 -0.965 47.6-117.3-158.3 133.2 37.1 9.9 -0.2 89 91 A P > - 0 0 39 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.370 46.2-100.6 -65.1 155.8 36.8 6.1 -0.7 90 92 A F G > S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 267,-0.1 0.849 120.6 52.1 -48.2 -47.6 38.1 4.2 2.3 91 93 A L G 3 S+ 0 0 58 1,-0.3 -1,-0.3 266,-0.0 270,-0.0 0.574 110.6 50.8 -71.0 -6.1 41.5 3.3 0.9 92 94 A E G < S+ 0 0 128 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.330 74.8 128.8-111.8 6.4 42.2 6.9 0.0 93 95 A V < - 0 0 6 -3,-1.4 2,-0.2 -4,-0.3 264,-0.0 -0.440 44.8-153.6 -66.5 130.2 41.4 8.6 3.3 94 96 A T > - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.677 26.7-115.6-104.2 161.7 44.2 10.9 4.4 95 97 A K H > S+ 0 0 49 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 116.6 55.4 -58.7 -40.9 45.3 12.0 7.9 96 98 A E H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.902 106.9 47.0 -60.1 -47.2 44.4 15.6 6.8 97 99 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 113.7 49.2 -63.9 -40.6 40.8 14.8 5.8 98 100 A F H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.972 113.6 45.4 -62.6 -53.4 40.3 12.8 9.0 99 101 A D H X S+ 0 0 56 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.920 115.2 45.7 -57.6 -49.8 41.7 15.6 11.3 100 102 A R H X S+ 0 0 88 -4,-2.8 4,-2.2 -5,-0.2 5,-0.4 0.940 114.0 50.3 -60.1 -46.1 39.7 18.4 9.5 101 103 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.4 0.918 113.5 43.3 -59.2 -48.7 36.5 16.3 9.6 102 104 A F H X>S+ 0 0 5 -4,-2.8 5,-2.8 -5,-0.2 4,-1.2 0.869 113.2 50.4 -70.8 -32.2 36.6 15.4 13.3 103 105 A S H <>S+ 0 0 16 -4,-2.2 5,-1.5 -5,-0.3 -2,-0.2 0.915 122.3 31.6 -72.1 -40.8 37.7 18.9 14.5 104 106 A V H <5S+ 0 0 12 -4,-2.2 5,-0.2 -5,-0.2 -2,-0.2 0.958 125.4 40.3 -79.9 -54.0 34.9 20.7 12.6 105 107 A N H <5S+ 0 0 1 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.746 136.7 4.6 -69.0 -25.9 32.1 18.1 12.6 106 108 A L T X5S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.4 -3,-0.2 0.733 120.6 55.9-130.2 -44.1 32.6 16.8 16.1 107 109 A R H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 108.7 47.7 -66.5 -39.7 30.2 20.3 19.0 110 112 A F H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.971 116.2 44.7 -62.8 -51.7 31.9 19.2 22.3 111 113 A Q H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.939 116.6 40.6 -60.9 -55.7 33.4 22.7 22.8 112 114 A V H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.910 114.7 53.4 -63.7 -39.1 30.4 25.0 22.0 113 115 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.4 5,-0.3 0.873 106.4 53.0 -64.9 -36.3 28.0 22.7 23.8 114 116 A Q H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.935 110.4 47.0 -62.9 -48.4 30.2 22.8 27.0 115 117 A M H X S+ 0 0 38 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.933 116.9 43.3 -58.3 -49.3 30.2 26.6 27.0 116 118 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -41,-0.2 0.939 114.7 48.0 -64.3 -47.6 26.4 26.8 26.4 117 119 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.862 108.3 55.4 -62.7 -36.3 25.5 24.1 28.9 118 120 A R H X S+ 0 0 101 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.936 110.7 46.6 -62.4 -41.2 27.7 25.6 31.6 119 121 A D H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 110.3 50.3 -66.4 -48.9 25.8 28.9 31.1 120 122 A M H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.9 0.928 113.0 48.5 -56.6 -43.0 22.3 27.3 31.2 121 123 A I H ><5S+ 0 0 48 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.923 108.7 52.9 -64.8 -43.3 23.3 25.5 34.4 122 124 A N H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 114.3 41.6 -57.9 -43.6 24.7 28.7 36.0 123 125 A R H 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.570 109.4-125.8 -80.2 -14.4 21.5 30.6 35.4 124 126 A G T <<5 + 0 0 53 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.747 61.7 137.8 74.5 27.1 19.4 27.7 36.4 125 127 A V < - 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