==== 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 TRANSFERASE 31-JUL-03 1O50 . COMPND 2 MOLECULE: CBS DOMAIN-CONTAINING PREDICTED PROTEIN TM0935; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 141 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 14.9 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 0 0 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 3 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 -2 A H > 0 0 115 0, 0.0 3,-1.0 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 103.3 17.9 2.1 67.2 2 -1 A H T 3 - 0 0 80 1,-0.2 140,-0.0 140,-0.2 0, 0.0 0.504 360.0-100.2 58.9 11.9 21.5 2.8 66.1 3 0 A H T 3 + 0 0 174 1,-0.2 -1,-0.2 95,-0.0 2,-0.1 0.810 62.4 175.9 49.7 36.8 22.8 0.0 68.3 4 1 A M < - 0 0 37 -3,-1.0 95,-2.4 94,-0.0 96,-0.4 -0.406 13.0-156.2 -69.0 148.4 23.9 2.5 71.1 5 2 A K B >> -A 98 0A 72 93,-0.3 3,-1.7 94,-0.1 4,-0.7 -0.788 34.2-100.1-121.2 169.2 25.3 1.2 74.4 6 3 A V H >> S+ 0 0 0 91,-2.7 4,-2.9 88,-0.3 3,-1.7 0.900 120.7 62.8 -55.9 -39.8 25.5 2.7 77.9 7 4 A K H 34 S+ 0 0 103 88,-2.6 -1,-0.3 1,-0.3 4,-0.2 0.737 101.0 52.2 -56.5 -27.7 29.2 3.6 77.2 8 5 A D H <4 S+ 0 0 69 -3,-1.7 -1,-0.3 87,-0.2 -2,-0.2 0.656 120.7 31.1 -80.3 -20.3 28.0 6.0 74.3 9 6 A V H X< S+ 0 0 1 -3,-1.7 3,-1.9 -4,-0.7 4,-0.3 0.710 97.9 78.3-111.7 -30.4 25.5 7.9 76.6 10 7 A C T 3< S+ 0 0 14 -4,-2.9 116,-0.4 1,-0.3 5,-0.3 0.476 99.1 44.3 -71.4 -1.9 26.9 7.8 80.1 11 8 A K T 3 S+ 0 0 191 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.293 81.2 98.1-119.6 11.7 29.5 10.6 79.5 12 9 A L S < S+ 0 0 77 -3,-1.9 2,-0.3 1,-0.1 -2,-0.1 0.781 95.5 28.2 -73.7 -27.0 27.2 13.0 77.5 13 10 A I S S- 0 0 56 -4,-0.3 2,-1.1 2,-0.0 -1,-0.1 -0.974 92.5-114.3-126.2 142.1 26.6 15.0 80.8 14 11 A S + 0 0 111 -2,-0.3 2,-0.4 2,-0.0 -3,-0.1 -0.714 47.3 171.0 -77.7 100.1 29.1 15.3 83.6 15 12 A L - 0 0 31 -2,-1.1 111,-0.1 -5,-0.3 -2,-0.0 -0.905 23.6-155.7-111.6 142.6 27.4 13.5 86.5 16 13 A K - 0 0 106 -2,-0.4 -2,-0.0 109,-0.1 23,-0.0 -0.990 26.4-122.6-114.8 119.9 28.9 12.6 89.8 17 14 A P - 0 0 42 0, 0.0 2,-0.7 0, 0.0 25,-0.1 -0.335 17.5-132.3 -61.4 139.3 27.2 9.7 91.6 18 15 A T E -b 42 0B 3 23,-0.5 25,-2.8 18,-0.1 2,-0.4 -0.892 31.4-177.0 -95.3 112.6 25.8 10.4 95.1 19 16 A V E +b 43 0B 51 -2,-0.7 25,-0.2 23,-0.2 2,-0.2 -0.950 7.0 175.7-123.8 124.7 26.9 7.7 97.4 20 17 A V E -b 44 0B 5 23,-2.9 25,-2.6 -2,-0.4 2,-0.2 -0.590 28.0-111.8-116.9 170.8 26.1 7.2 101.1 21 18 A E > - 0 0 97 23,-0.2 3,-1.6 -2,-0.2 62,-0.3 -0.624 35.8-103.1 -98.7 165.8 26.8 4.5 103.7 22 19 A E T 3 S+ 0 0 62 23,-0.5 62,-2.7 1,-0.3 63,-0.3 0.795 120.8 47.3 -63.3 -30.8 24.1 2.3 105.3 23 20 A D T 3 S+ 0 0 115 60,-0.2 -1,-0.3 59,-0.1 3,-0.0 0.250 80.1 128.9 -96.0 11.0 24.1 4.3 108.6 24 21 A T < - 0 0 10 -3,-1.6 59,-2.3 1,-0.1 60,-0.1 -0.548 64.5-117.3 -67.7 122.9 23.8 7.6 106.8 25 22 A P B >> -E 82 0C 61 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.324 14.3-123.7 -63.4 147.4 20.9 9.6 108.3 26 23 A I H 3> S+ 0 0 22 55,-2.2 4,-2.5 1,-0.3 5,-0.2 0.894 112.6 59.3 -63.4 -36.9 18.1 10.4 106.0 27 24 A E H 3> S+ 0 0 148 54,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.912 105.6 49.0 -57.6 -38.5 18.5 14.1 106.8 28 25 A E H <> S+ 0 0 91 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.862 107.4 55.7 -70.9 -30.3 22.1 13.9 105.5 29 26 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.958 108.1 48.3 -64.6 -44.2 20.8 12.1 102.3 30 27 A V H X S+ 0 0 56 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 108.2 53.7 -58.9 -46.0 18.5 15.1 101.8 31 28 A D H X S+ 0 0 89 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.926 109.0 50.1 -55.7 -46.1 21.5 17.5 102.3 32 29 A R H X S+ 0 0 91 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.875 111.1 48.3 -57.6 -41.1 23.4 15.6 99.6 33 30 A I H >< S+ 0 0 24 -4,-2.0 3,-0.6 1,-0.2 6,-0.3 0.931 109.9 51.7 -67.7 -43.5 20.5 15.8 97.2 34 31 A L H 3< S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 107.1 53.8 -64.1 -27.4 20.1 19.6 97.8 35 32 A E H 3< S+ 0 0 147 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 124.8 24.8 -76.2 -27.4 23.8 20.2 97.1 36 33 A D S X< S+ 0 0 29 -4,-1.0 3,-2.3 -3,-0.6 -1,-0.3 -0.666 76.5 178.6-134.6 71.6 23.6 18.4 93.7 37 34 A P T 3 S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.507 71.7 72.6 -66.7 -5.6 19.9 18.8 92.8 38 35 A V T 3 S+ 0 0 50 -5,-0.0 -4,-0.1 2,-0.0 -5,-0.1 0.649 74.4 116.0 -68.5 -17.5 20.2 17.0 89.4 39 36 A T < + 0 0 6 -3,-2.3 3,-0.1 -6,-0.3 74,-0.1 -0.290 34.6 167.0 -64.8 133.1 20.5 13.9 91.6 40 37 A R + 0 0 82 1,-0.4 16,-2.5 72,-0.1 2,-0.4 0.555 65.0 33.8-122.8 -19.4 17.6 11.5 91.0 41 38 A T E - C 0 55B 0 14,-0.2 -23,-0.5 71,-0.1 2,-0.4 -0.982 65.8-151.4-141.3 127.2 18.9 8.4 92.7 42 39 A V E -bC 18 54B 0 12,-2.7 12,-3.4 -2,-0.4 2,-0.3 -0.825 16.3-148.1 -90.5 137.3 21.1 8.0 95.8 43 40 A Y E -bC 19 53B 0 -25,-2.8 -23,-2.9 -2,-0.4 2,-0.4 -0.776 0.9-148.4-105.4 153.6 23.3 4.9 96.0 44 41 A V E -bC 20 52B 0 8,-2.3 7,-3.1 -2,-0.3 8,-1.6 -0.985 18.6-175.8-124.2 123.9 24.4 3.1 99.2 45 42 A A E - C 0 50B 7 -25,-2.6 -23,-0.5 -2,-0.4 2,-0.3 -0.788 16.1-166.6-119.0 161.7 27.8 1.3 99.3 46 43 A R E > S- C 0 49B 70 3,-1.8 3,-1.3 -2,-0.3 -25,-0.0 -0.904 84.4 -9.8-148.8 116.6 29.6 -0.8 101.9 47 44 A D T 3 S- 0 0 137 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.891 129.8 -57.6 57.7 41.0 33.3 -1.5 101.4 48 45 A N T 3 S+ 0 0 130 1,-0.2 75,-0.4 74,-0.0 2,-0.4 0.528 112.6 120.1 66.8 10.1 33.1 0.1 97.9 49 46 A K E < S-C 46 0B 81 -3,-1.3 -3,-1.8 73,-0.1 2,-0.4 -0.818 70.5-113.7-102.4 141.3 30.4 -2.4 96.8 50 47 A L E +C 45 0B 23 71,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.636 44.7 159.2 -72.8 122.2 26.9 -1.2 95.6 51 48 A V E - 0 0 41 -7,-3.1 2,-0.3 -2,-0.4 -6,-0.2 0.578 56.6 -5.1-123.6 -16.8 24.3 -2.5 98.1 52 49 A G E -C 44 0B 0 -8,-1.6 -8,-2.3 37,-0.2 2,-0.3 -0.994 51.5-141.7-162.5 176.7 21.2 -0.4 97.7 53 50 A M E -CD 43 88B 8 35,-2.0 35,-2.3 -2,-0.3 -10,-0.2 -0.983 2.4-156.9-144.1 153.1 19.6 2.6 96.0 54 51 A I E -C 42 0B 1 -12,-3.4 -12,-2.7 -2,-0.3 2,-0.1 -0.847 13.4-155.9-132.1 95.1 17.2 5.3 97.0 55 52 A P E >> -C 41 0B 8 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.460 27.2-120.9 -59.2 141.1 15.3 6.9 94.2 56 53 A V H 3> S+ 0 0 55 -16,-2.5 4,-2.2 1,-0.3 5,-0.1 0.867 114.7 54.6 -58.0 -31.3 14.1 10.4 95.1 57 54 A M H 3> S+ 0 0 89 -17,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.823 105.6 52.6 -73.5 -30.6 10.5 9.3 94.5 58 55 A H H <> S+ 0 0 45 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.938 110.1 48.4 -64.7 -42.5 11.0 6.4 96.9 59 56 A L H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.869 110.3 52.1 -63.3 -36.9 12.3 9.0 99.6 60 57 A L H X S+ 0 0 110 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.924 111.8 46.1 -65.4 -42.2 9.2 11.2 98.8 61 58 A K H X S+ 0 0 86 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.926 112.0 49.6 -67.5 -46.8 6.9 8.2 99.4 62 59 A V H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.878 112.7 50.8 -54.9 -39.9 8.7 7.1 102.6 63 60 A S H X S+ 0 0 40 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.925 105.8 52.5 -71.6 -45.2 8.4 10.8 103.7 64 61 A G H X S+ 0 0 16 -4,-2.6 6,-2.1 1,-0.2 4,-1.4 0.809 113.2 45.3 -58.8 -37.9 4.7 11.1 103.1 65 62 A F H X S+ 0 0 55 -4,-1.8 4,-1.5 4,-0.3 -2,-0.2 0.933 115.6 45.9 -67.2 -49.2 4.0 8.0 105.1 66 63 A H H < S+ 0 0 68 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.903 126.5 27.2 -62.9 -44.3 6.3 9.0 108.0 67 64 A F H < S+ 0 0 149 -4,-2.7 -3,-0.2 -5,-0.1 -1,-0.2 0.780 139.9 17.1 -92.4 -29.9 5.1 12.6 108.3 68 65 A F H < S- 0 0 179 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.2 0.413 93.9-118.5-122.7 -3.0 1.5 12.4 107.0 69 66 A G < + 0 0 50 -4,-1.5 2,-0.5 -6,-0.2 -4,-0.3 0.760 55.1 162.9 63.2 25.7 0.6 8.7 107.1 70 67 A F - 0 0 132 -6,-2.1 -1,-0.2 -9,-0.1 -2,-0.1 -0.665 23.7-164.2 -81.3 121.8 0.0 8.6 103.3 71 68 A I 0 0 116 -2,-0.5 -9,-0.0 -7,-0.1 -10,-0.0 -0.946 360.0 360.0-103.6 113.6 0.0 5.2 101.7 72 69 A P 0 0 92 0, 0.0 -1,-0.0 0, 0.0 -11,-0.0 -0.005 360.0 360.0 -63.5 360.0 0.4 5.3 97.8 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 77 A S 0 0 166 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -47.5 3.6 -2.9 103.6 75 78 A M - 0 0 58 1,-0.0 2,-0.2 -10,-0.0 -4,-0.0 -0.698 360.0-158.8 -85.3 140.2 5.3 0.4 104.6 76 79 A K - 0 0 173 -2,-0.4 2,-0.2 1,-0.1 -10,-0.1 -0.597 22.6 -81.1-121.2 168.8 6.8 0.3 108.1 77 80 A R - 0 0 206 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.481 38.1-124.1 -80.0 137.4 7.9 2.7 110.8 78 81 A L + 0 0 22 -2,-0.2 -1,-0.1 1,-0.2 8,-0.0 -0.621 37.8 161.2 -76.5 135.7 11.2 4.5 110.6 79 82 A I S S+ 0 0 120 -2,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.669 78.3 23.2-117.9 -65.0 13.4 4.0 113.7 80 83 A A S S- 0 0 60 2,-0.1 3,-0.1 -55,-0.0 -2,-0.1 0.784 91.1-143.8 -72.0 -24.5 17.1 4.8 112.9 81 84 A K + 0 0 100 1,-0.2 -55,-2.2 -56,-0.1 -54,-0.3 0.983 52.6 129.8 49.6 61.7 16.0 7.0 110.0 82 85 A N B >> S-E 25 0C 23 -57,-0.3 3,-1.0 -56,-0.1 4,-0.8 -0.831 74.7 -91.8-133.2 174.4 18.9 6.0 107.9 83 86 A A H >> S+ 0 0 0 -59,-2.3 4,-2.0 -62,-0.3 3,-1.0 0.876 116.9 59.5 -53.2 -43.8 19.8 4.8 104.4 84 87 A S H 34 S+ 0 0 56 -62,-2.7 -1,-0.2 1,-0.3 -61,-0.1 0.733 100.7 55.5 -65.2 -22.3 19.6 1.0 105.3 85 88 A E H <4 S+ 0 0 72 -3,-1.0 -1,-0.3 -63,-0.3 -2,-0.2 0.723 121.6 27.5 -77.2 -29.0 16.0 1.2 106.5 86 89 A I H << S+ 0 0 8 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.1 0.507 89.0 117.5-108.9 -9.2 14.8 2.7 103.1 87 90 A M < - 0 0 53 -4,-2.0 2,-0.3 -5,-0.1 -33,-0.2 -0.258 48.7-149.2 -66.9 147.2 17.3 1.4 100.5 88 91 A L B -D 53 0B 68 -35,-2.3 -35,-2.0 1,-0.1 3,-0.1 -0.754 36.3 -79.0-109.5 160.8 16.0 -0.9 97.7 89 92 A D - 0 0 141 -2,-0.3 -37,-0.2 -37,-0.2 -1,-0.1 -0.420 62.7-102.0 -57.2 132.3 17.8 -3.6 95.9 90 93 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.270 28.3-160.4 -66.5 138.3 20.1 -1.9 93.3 91 94 A V + 0 0 25 -3,-0.1 2,-0.3 18,-0.0 -3,-0.0 -0.988 30.1 164.6-110.7 123.9 19.1 -1.8 89.6 92 95 A Y - 0 0 114 -2,-0.5 2,-0.2 22,-0.1 24,-0.2 -0.888 28.0-143.3-140.4 168.5 22.2 -1.2 87.5 93 96 A V B -f 116 0D 2 22,-2.1 24,-2.5 -2,-0.3 2,-0.3 -0.760 12.5-135.4-123.3 171.8 23.8 -1.2 84.1 94 97 A H > - 0 0 59 -2,-0.2 3,-1.2 22,-0.2 -88,-0.3 -0.827 33.4-103.5-117.8 169.3 27.2 -2.0 82.5 95 98 A M T 3 S+ 0 0 64 22,-0.4 -88,-2.6 -2,-0.3 -87,-0.2 0.844 121.9 47.3 -57.7 -36.5 29.2 -0.1 79.8 96 99 A D T 3 S+ 0 0 109 -90,-0.2 -1,-0.3 -91,-0.1 3,-0.1 0.469 84.2 122.1 -91.3 -0.6 28.2 -2.7 77.2 97 100 A T S < S- 0 0 19 -3,-1.2 -91,-2.7 1,-0.1 -90,-0.2 -0.398 72.8-106.5 -62.7 131.2 24.5 -2.7 78.1 98 101 A P B >> -A 5 0A 60 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.357 20.7-128.9 -52.3 133.4 22.2 -1.7 75.2 99 102 A L H 3> S+ 0 0 10 -95,-2.4 4,-2.1 1,-0.2 5,-0.2 0.878 109.5 57.0 -50.7 -42.2 20.8 1.7 75.6 100 103 A E H 3> S+ 0 0 149 -96,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.821 104.0 50.5 -62.7 -34.8 17.3 0.3 75.0 101 104 A E H <> S+ 0 0 82 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.868 110.2 51.8 -68.6 -35.9 17.7 -2.2 77.9 102 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.846 109.9 47.7 -65.6 -39.1 18.7 0.7 80.2 103 106 A L H X S+ 0 0 66 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 110.6 52.9 -68.0 -40.0 15.6 2.8 79.1 104 107 A K H X S+ 0 0 113 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.918 109.1 49.5 -61.6 -44.1 13.5 -0.3 79.8 105 108 A L H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 6,-0.2 0.901 110.1 50.6 -60.0 -47.1 15.0 -0.6 83.3 106 109 A M H X>S+ 0 0 11 -4,-2.0 5,-2.0 2,-0.2 4,-0.5 0.955 115.8 41.6 -56.2 -51.3 14.4 3.0 84.0 107 110 A I H ><5S+ 0 0 114 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.939 114.5 48.8 -64.2 -51.2 10.8 2.8 83.0 108 111 A D H 3<5S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 121.3 36.7 -57.7 -36.4 9.9 -0.6 84.6 109 112 A N H 3<5S- 0 0 74 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.354 106.2-126.6 -98.4 -0.0 11.5 0.5 87.9 110 113 A N T <<5 + 0 0 96 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.918 64.8 129.9 50.0 49.3 10.3 4.1 87.7 111 114 A I < - 0 0 6 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.901 46.9-160.6-123.8 158.5 13.8 5.5 88.2 112 115 A Q S S+ 0 0 92 -2,-0.3 17,-2.1 1,-0.2 18,-0.3 0.115 75.1 48.3-123.7 17.6 15.7 8.2 86.2 113 116 A E E + G 0 128D 6 15,-0.2 15,-0.2 -73,-0.2 -1,-0.2 -0.919 58.4 174.3-161.5 132.4 19.4 7.5 87.3 114 117 A M E - G 0 127D 0 13,-2.5 13,-2.4 -2,-0.3 2,-0.2 -0.978 28.6-117.1-139.9 149.4 21.3 4.3 87.6 115 118 A P E - G 0 126D 2 0, 0.0 -22,-2.1 0, 0.0 2,-0.5 -0.538 19.1-134.0 -87.0 154.2 24.9 3.5 88.4 116 119 A V E -fG 93 125D 0 9,-2.5 8,-2.8 -24,-0.2 9,-1.3 -0.949 32.0-169.2-105.9 125.6 27.2 1.8 85.9 117 120 A V E - G 0 123D 6 -24,-2.5 -22,-0.4 -2,-0.5 6,-0.2 -0.798 17.9-134.3-120.2 156.6 29.0 -1.0 87.6 118 121 A D > - 0 0 39 4,-2.1 3,-0.8 -2,-0.3 -1,-0.1 -0.085 50.0 -80.0 -90.7-161.9 32.0 -3.2 86.7 119 122 A E T 3 S+ 0 0 169 1,-0.2 -25,-0.0 2,-0.1 -2,-0.0 0.426 124.3 56.4 -89.8 2.6 31.9 -7.0 87.3 120 123 A K T 3 S- 0 0 123 2,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.027 120.4 -96.3-122.3 28.0 32.7 -6.8 91.0 121 124 A G S < S+ 0 0 30 -3,-0.8 -71,-2.8 1,-0.2 2,-0.3 0.661 79.7 137.4 72.6 21.0 29.8 -4.6 92.1 122 125 A E - 0 0 56 -73,-0.2 -4,-2.1 -77,-0.0 2,-0.4 -0.785 57.5-112.4-108.3 142.9 31.8 -1.4 92.0 123 126 A I E +G 117 0D 49 -75,-0.4 -6,-0.2 -2,-0.3 3,-0.1 -0.577 41.1 159.2 -77.5 121.0 30.6 2.0 90.6 124 127 A V E - 0 0 78 -8,-2.8 2,-0.3 -2,-0.4 -7,-0.2 0.423 65.6 -14.0-118.3 -8.5 32.5 3.1 87.5 125 128 A G E -G 116 0D 17 -9,-1.3 -9,-2.5 2,-0.0 2,-0.3 -0.968 61.7-114.8-175.5-174.8 30.1 5.6 86.0 126 129 A D E -G 115 0D 6 -116,-0.4 2,-0.4 -2,-0.3 -111,-0.1 -0.963 13.4-162.9-141.6 152.9 26.5 7.0 86.1 127 130 A L E -G 114 0D 0 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.3 -0.992 10.1-179.4-138.4 132.1 23.5 7.2 83.7 128 131 A N E >> -G 113 0D 1 -2,-0.4 4,-1.3 -15,-0.2 3,-0.5 -0.844 41.4-107.8-126.5 167.5 20.4 9.4 83.8 129 132 A S H 3> S+ 0 0 16 -17,-2.1 4,-2.3 -2,-0.3 5,-0.2 0.823 115.2 60.6 -56.8 -30.4 17.3 9.9 81.8 130 133 A L H 3> S+ 0 0 62 -18,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.880 101.4 53.0 -71.0 -36.5 18.5 13.2 80.5 131 134 A E H <> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.880 109.5 49.1 -61.0 -40.8 21.5 11.6 78.8 132 135 A I H X S+ 0 0 6 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.919 112.2 48.6 -64.4 -44.3 19.2 9.1 77.1 133 136 A L H X S+ 0 0 91 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.897 110.1 51.2 -62.2 -43.3 17.0 12.0 75.9 134 137 A L H X S+ 0 0 63 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.948 111.4 47.9 -56.0 -55.6 20.0 13.9 74.7 135 138 A A H X S+ 0 0 14 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.889 115.9 43.6 -50.5 -48.7 21.3 10.9 72.7 136 139 A L H < S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 122.9 32.1 -73.0 -40.9 17.9 10.1 71.1 137 140 A W H < S+ 0 0 193 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.661 119.9 47.8 -96.3 -18.7 16.8 13.6 70.2 138 141 A K H < S+ 0 0 168 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.582 105.0 71.5 -91.7 -17.6 20.1 15.3 69.4 139 142 A G S < S- 0 0 39 -4,-0.8 2,-0.2 -5,-0.4 -3,-0.0 -0.339 106.9 -63.9 -90.7 178.7 21.3 12.4 67.2 140 143 A R - 0 0 178 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.434 39.9-146.0 -68.8 132.7 19.9 11.5 63.8 141 144 A E 0 0 164 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.906 360.0 360.0 -65.1 -45.5 16.3 10.5 63.9 142 145 A K 0 0 164 -141,-0.0 -1,-0.2 -140,-0.0 -140,-0.2 0.787 360.0 360.0 -80.9 360.0 16.5 7.9 61.1