==== 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 22-AUG-01 1JTU . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.H.SAYRE,J.S.FINER-MOORE,T.A.FRITZ,D.BIERMANN,S.B.GATES, . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 15.5 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 1 2 1 0 0 2 1 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 X > 0 0 7 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 149.8 23.6 21.0 49.8 2 2 A K H > + 0 0 139 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.942 360.0 46.9 -57.1 -50.6 24.5 24.5 50.8 3 3 A Q H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.884 114.3 49.5 -58.8 -40.1 25.5 25.6 47.3 4 4 A Y H >> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.971 113.3 42.9 -63.1 -58.5 22.4 24.1 45.9 5 5 A L H 3X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.3 5,-0.3 0.907 111.6 56.0 -57.1 -42.6 19.9 25.6 48.3 6 6 A E H 3X S+ 0 0 114 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.3 0.851 107.5 49.5 -60.0 -32.4 21.7 29.0 48.1 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 3,-0.7 0.961 110.0 46.9 -50.5 -57.4 17.5 28.1 44.7 9 9 A Q H 3X S+ 0 0 75 -4,-2.4 4,-1.8 1,-0.3 -1,-0.3 0.778 108.3 58.9 -57.3 -26.8 17.0 31.1 47.0 10 10 A K H 3X S+ 0 0 42 -4,-0.9 4,-2.3 -3,-0.3 5,-0.4 0.889 105.1 47.8 -71.5 -37.8 18.9 33.2 44.5 11 11 A V H - 0 0 16 -2,-0.2 3,-3.0 1,-0.0 5,-0.1 -0.945 36.3 -83.6-149.6 171.7 9.5 29.2 27.7 21 21 A R T 3 S+ 0 0 125 -2,-0.3 369,-0.1 1,-0.3 -1,-0.0 0.791 124.4 50.5 -42.1 -42.5 9.5 26.6 24.9 22 22 A T T 3 S- 0 0 28 241,-0.1 -1,-0.3 1,-0.1 242,-0.2 0.414 105.9-125.9 -83.2 2.5 7.3 24.2 27.0 23 23 A G S < S+ 0 0 69 -3,-3.0 -2,-0.1 1,-0.1 -1,-0.1 0.743 79.0 118.6 58.9 23.1 4.7 27.0 27.7 24 24 A T - 0 0 37 -4,-0.1 186,-0.3 240,-0.0 187,-0.1 0.709 68.9-129.6 -91.2 -25.1 5.2 26.2 31.4 25 25 A G - 0 0 12 184,-0.1 185,-2.5 -5,-0.1 186,-0.3 0.430 25.6-155.4 81.0 136.5 6.5 29.5 32.6 26 26 A T E -AB 18 209A 5 -8,-3.2 -8,-2.2 183,-0.3 2,-0.5 -0.872 23.5-124.9-141.0 173.4 9.7 30.0 34.7 27 27 A L E -AB 17 208A 19 181,-2.0 181,-1.6 -2,-0.3 2,-0.4 -0.993 46.2-167.1-118.5 116.6 11.6 32.2 37.2 28 28 A S E +AB 16 207A 1 -12,-3.3 -12,-2.0 -2,-0.5 2,-0.3 -0.910 28.2 178.3-127.0 141.2 15.0 32.9 35.7 29 29 A I E - B 0 206A 9 177,-2.5 177,-2.4 -2,-0.4 2,-0.5 -0.906 25.1-137.3-122.3 152.0 18.4 34.2 36.5 30 30 A F E + B 0 205A 6 -2,-0.3 175,-0.2 175,-0.2 174,-0.1 -0.946 66.1 9.3-120.3 119.3 21.3 34.4 33.9 31 31 A G E + 0 0 1 173,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.662 64.2 158.9 86.4 114.7 24.8 33.4 34.8 32 32 A H E - B 0 203A 34 171,-1.1 171,-2.4 -3,-0.1 2,-0.3 -0.973 17.8-161.0-161.3 156.1 25.9 31.8 38.0 33 33 A Q E + B 0 202A 41 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.995 9.2 173.9-148.2 138.6 28.8 29.7 39.3 34 34 A M E - B 0 201A 13 167,-2.1 167,-2.5 -2,-0.3 2,-0.3 -0.991 17.6-140.7-144.3 149.5 29.3 27.4 42.2 35 35 A R E - B 0 200A 84 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.868 7.2-165.8-117.0 147.2 32.2 25.1 43.3 36 36 A F E - B 0 199A 7 163,-1.4 163,-2.0 -2,-0.3 2,-1.1 -0.942 15.1-147.8-131.1 107.9 32.3 21.6 44.9 37 37 A N E > - B 0 198A 58 -2,-0.4 3,-2.2 161,-0.2 4,-0.4 -0.668 15.1-153.1 -76.0 105.0 35.6 20.4 46.4 38 38 A L G > S+ 0 0 4 159,-2.0 3,-0.7 -2,-1.1 -1,-0.2 0.645 87.8 65.6 -55.7 -18.2 35.1 16.7 45.6 39 39 A Q G 3 S+ 0 0 96 158,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.716 88.6 66.1 -80.1 -17.6 37.3 15.7 48.5 40 40 A D G < S- 0 0 112 -3,-2.2 -1,-0.2 1,-0.3 2,-0.2 0.685 124.7 -74.9 -72.6 -15.8 34.8 17.1 51.0 41 41 A G < - 0 0 9 -3,-0.7 -1,-0.3 -4,-0.4 188,-0.2 -0.686 62.1 -49.7 140.5 166.5 32.5 14.3 49.7 42 42 A F - 0 0 4 186,-2.3 2,-2.1 -2,-0.2 137,-0.1 -0.545 52.6-128.3 -71.9 124.1 30.3 13.2 46.8 43 43 A P + 0 0 1 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.396 54.0 142.0 -76.1 71.5 27.9 16.0 45.8 44 44 A L - 0 0 0 -2,-2.1 132,-0.1 184,-0.1 6,-0.1 -0.947 57.4-111.8-112.2 112.4 24.5 14.2 45.8 45 45 A V - 0 0 0 -2,-0.6 5,-0.2 130,-0.2 3,-0.1 -0.030 30.6-174.5 -45.0 139.3 21.7 16.4 47.2 46 46 A T + 0 0 0 179,-0.1 209,-2.5 1,-0.1 -1,-0.1 0.589 67.1 84.4-112.8 -17.1 20.4 15.3 50.6 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 174,-0.1 0.450 111.0 13.7 -68.1 3.9 17.5 17.7 51.1 48 48 A K S S- 0 0 17 207,-0.1 209,-0.3 -3,-0.1 -1,-0.1 -0.856 96.9 -92.9-172.2 140.5 15.5 15.2 49.0 49 49 A R - 0 0 146 206,-0.4 2,-0.3 -2,-0.3 209,-0.3 -0.334 37.7-156.7 -65.4 139.6 16.1 11.7 47.9 50 50 A C - 0 0 8 -5,-0.2 2,-1.1 207,-0.1 -1,-0.0 -0.889 19.9-119.8-116.6 148.5 17.8 11.1 44.5 51 51 A H >> - 0 0 88 -2,-0.3 4,-1.6 1,-0.2 3,-0.5 -0.733 26.4-176.6 -91.5 96.5 17.6 8.1 42.3 52 52 A L H 3> S+ 0 0 36 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.917 77.4 65.3 -54.3 -51.3 21.3 6.9 41.9 53 53 A R H 3> S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 105.4 44.7 -41.0 -46.9 20.4 4.1 39.5 54 54 A S H <> S+ 0 0 8 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.962 112.3 50.7 -66.0 -52.2 19.2 6.6 36.9 55 55 A I H X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.896 114.4 42.9 -53.5 -47.8 22.2 8.9 37.3 56 56 A I H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.924 113.0 49.8 -69.2 -45.9 24.8 6.2 36.9 57 57 A H H X S+ 0 0 8 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.839 106.9 56.5 -63.2 -32.1 23.2 4.3 34.0 58 58 A E H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.925 107.7 48.6 -65.4 -43.3 22.8 7.5 32.1 59 59 A L H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.947 111.2 46.7 -62.2 -51.4 26.5 8.3 32.3 60 60 A L H X S+ 0 0 14 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.880 111.8 55.7 -57.0 -35.3 27.7 4.8 31.2 61 61 A W H X>S+ 0 0 2 -4,-1.7 5,-1.7 -5,-0.3 4,-0.6 0.951 108.8 44.8 -60.8 -51.8 25.1 5.2 28.5 62 62 A F H ><5S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.961 111.4 53.9 -56.3 -54.0 26.8 8.5 27.4 63 63 A L H 3<5S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 103.4 55.4 -55.3 -28.2 30.3 7.0 27.6 64 64 A Q H 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.632 113.6-119.9 -80.6 -12.8 29.3 4.1 25.3 65 65 A G T <<5 + 0 0 24 -3,-2.2 2,-0.2 -4,-0.6 -3,-0.2 0.732 59.8 153.6 81.2 24.8 28.2 6.6 22.7 66 66 A D < + 0 0 53 -5,-1.7 29,-0.4 1,-0.1 -1,-0.3 -0.614 27.2 176.2 -88.5 144.9 24.6 5.3 22.7 67 67 A T + 0 0 28 -2,-0.2 23,-1.5 28,-0.1 2,-0.4 0.121 56.3 90.6-131.5 15.1 21.7 7.6 21.7 68 68 A N B S-F 89 0B 36 21,-0.2 3,-0.5 22,-0.1 4,-0.4 -0.938 70.9-138.2-115.4 139.0 18.9 5.0 21.9 69 69 A I S > S+ 0 0 11 19,-2.2 4,-2.5 -2,-0.4 5,-0.2 0.427 81.0 97.1 -77.0 2.4 17.0 4.4 25.1 70 70 A A H >> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.980 84.9 48.4 -51.7 -62.7 16.9 0.6 24.8 71 71 A Y H 3> S+ 0 0 63 -3,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.854 111.1 51.2 -43.8 -45.8 20.0 0.3 27.1 72 72 A L H >4>S+ 0 0 0 -4,-0.4 5,-2.6 1,-0.2 3,-0.6 0.893 109.3 50.8 -62.4 -40.0 18.3 2.6 29.6 73 73 A H H X<5S+ 0 0 82 -4,-2.5 3,-2.5 -3,-0.7 -2,-0.2 0.927 102.0 59.4 -63.4 -46.3 15.1 0.5 29.5 74 74 A E H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 112.3 42.5 -54.4 -24.1 17.0 -2.8 30.1 75 75 A N T <<5S- 0 0 53 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.003 118.8-107.9-113.4 28.0 18.1 -1.1 33.3 76 76 A N T < 5S+ 0 0 134 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.807 70.3 140.4 52.8 39.5 14.8 0.4 34.4 77 77 A V < + 0 0 0 -5,-2.6 -1,-0.2 -8,-0.2 -2,-0.2 -0.960 19.4 168.7-113.8 124.4 15.7 4.0 33.7 78 78 A T > + 0 0 84 -2,-0.5 3,-1.9 1,-0.1 4,-0.4 0.260 40.0 114.0-117.6 10.0 13.0 6.1 32.1 79 79 A I T 3 S+ 0 0 47 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.717 84.8 42.6 -56.4 -21.8 14.3 9.6 32.4 80 80 A W T >> S+ 0 0 23 -3,-0.2 4,-0.7 1,-0.1 3,-0.6 0.221 82.0 101.3-111.1 15.8 14.6 9.9 28.6 81 81 A D G X4 S+ 0 0 60 -3,-1.9 3,-1.1 1,-0.2 -1,-0.1 0.923 71.0 64.7 -64.7 -46.9 11.3 8.4 27.5 82 82 A E G 34 S+ 0 0 95 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.684 110.5 35.8 -50.9 -25.7 9.4 11.6 26.8 83 83 A W G <4 S+ 0 0 48 -3,-0.6 -1,-0.2 5,-0.1 -2,-0.2 0.521 90.1 104.8-110.7 -8.2 11.7 12.6 24.0 84 84 A A << - 0 0 24 -3,-1.1 6,-0.2 -4,-0.7 5,-0.1 -0.393 64.4-129.5 -72.6 152.6 12.6 9.3 22.3 85 85 A D > - 0 0 65 4,-2.0 3,-2.5 -2,-0.1 -1,-0.1 -0.243 42.0 -74.4 -91.2-173.9 10.9 8.5 19.0 86 86 A E T 3 S+ 0 0 176 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.813 134.6 45.7 -50.5 -36.8 9.1 5.3 17.9 87 87 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 -17,-0.2 0.277 120.3-105.3 -92.6 9.2 12.4 3.5 17.6 88 88 A G S < S+ 0 0 10 -3,-2.5 -19,-2.2 1,-0.3 -2,-0.1 0.390 74.2 141.1 83.8 -4.3 13.8 4.8 20.9 89 89 A D B -F 68 0B 65 -21,-0.2 -4,-2.0 1,-0.1 -1,-0.3 -0.380 34.9-176.3 -75.7 149.8 16.2 7.2 19.2 90 90 A L - 0 0 4 -23,-1.5 52,-2.8 1,-0.4 53,-0.3 0.374 46.4-118.1-119.3 -5.4 17.0 10.7 20.5 91 91 A G - 0 0 20 -24,-0.3 2,-3.1 50,-0.2 -1,-0.4 -0.346 64.1 -25.7 91.6-177.1 19.2 11.7 17.6 92 92 A P S S+ 0 0 13 0, 0.0 5,-0.1 0, 0.0 49,-0.1 -0.233 91.2 148.0 -67.9 57.9 22.9 12.7 17.7 93 93 A V >> - 0 0 3 -2,-3.1 3,-1.6 47,-0.1 4,-1.4 -0.015 62.5 -44.4 -82.2-168.8 22.8 13.8 21.4 94 94 A Y H 3> S+ 0 0 5 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.691 131.9 49.4 -20.0 -67.2 25.4 13.6 24.2 95 95 A G H 3> S+ 0 0 0 -29,-0.4 4,-1.8 1,-0.2 5,-0.3 0.869 112.2 48.0 -50.9 -44.5 26.7 10.1 23.6 96 96 A K H <> S+ 0 0 49 -3,-1.6 4,-3.1 -5,-0.2 -1,-0.2 0.920 114.0 44.4 -65.7 -46.4 27.2 10.6 19.9 97 97 A Q H X S+ 0 0 0 -4,-1.4 4,-0.5 1,-0.2 14,-0.4 0.866 112.3 54.5 -67.5 -35.7 29.1 13.9 20.1 98 98 A W H < S+ 0 0 1 -4,-2.6 14,-1.6 -5,-0.3 13,-0.9 0.880 125.5 20.0 -64.1 -41.3 31.2 12.7 23.0 99 99 A R H < S+ 0 0 59 -4,-1.8 -2,-0.2 11,-0.2 -3,-0.2 0.655 136.8 23.2-106.3 -19.6 32.5 9.6 21.1 100 100 A A H < + 0 0 27 -4,-3.1 10,-0.2 -5,-0.3 -2,-0.2 -0.345 60.6 176.5-149.9 65.8 31.9 10.3 17.5 101 101 A W E < -G 109 0C 2 8,-2.1 8,-2.2 -4,-0.5 2,-0.6 -0.596 33.6-130.5 -71.4 117.8 31.7 14.0 16.5 102 102 A P E -G 108 0C 12 0, 0.0 6,-0.2 0, 0.0 299,-0.2 -0.629 21.1-155.3 -78.0 115.2 31.4 13.9 12.6 103 103 A T > - 0 0 3 4,-1.7 3,-0.9 -2,-0.6 299,-0.1 -0.286 28.1-106.9 -80.0 170.0 33.9 16.2 10.9 104 104 A P T 3 S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.902 114.0 57.2 -65.2 -42.2 33.3 17.7 7.4 105 105 A D T 3 S- 0 0 84 296,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.033 126.8 -89.2 -83.5 33.4 35.9 15.5 5.7 106 106 A G S < S+ 0 0 65 -3,-0.9 2,-0.1 -2,-0.3 -1,-0.1 0.625 87.3 126.4 74.1 14.6 34.4 12.2 6.7 107 107 A R - 0 0 76 294,-0.1 -4,-1.7 2,-0.0 2,-0.4 -0.429 46.5-147.1 -97.2 176.2 36.2 11.8 10.0 108 108 A H E -G 102 0C 117 -6,-0.2 2,-0.5 -2,-0.1 -8,-0.1 -0.981 9.4-148.6-144.6 129.9 34.9 11.1 13.5 109 109 A I E -G 101 0C 34 -8,-2.2 -8,-2.1 -2,-0.4 2,-1.2 -0.895 5.6-149.0-108.8 124.9 36.5 12.4 16.7 110 110 A D > - 0 0 33 -2,-0.5 4,-2.1 -10,-0.2 -11,-0.2 -0.758 17.0-176.9 -90.0 96.6 36.4 10.6 19.9 111 111 A Q H > S+ 0 0 6 -2,-1.2 4,-2.2 -13,-0.9 -12,-0.2 0.847 77.3 55.9 -64.9 -34.4 36.5 13.5 22.4 112 112 A I H > S+ 0 0 4 -14,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.959 111.2 41.2 -65.7 -49.3 36.5 11.3 25.4 113 113 A T H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 112.0 57.4 -66.1 -36.8 39.6 9.3 24.4 114 114 A T H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.933 107.4 48.3 -55.6 -47.4 41.3 12.5 23.2 115 115 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 108.9 52.4 -60.7 -43.6 40.8 14.0 26.7 116 116 A L H X S+ 0 0 20 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.938 110.2 47.9 -59.8 -46.1 42.2 10.9 28.4 117 117 A N H X S+ 0 0 98 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.896 111.9 51.5 -61.6 -39.1 45.3 11.0 26.3 118 118 A Q H X S+ 0 0 46 -4,-2.2 4,-2.4 -5,-0.2 7,-0.3 0.886 107.1 51.6 -64.8 -40.3 45.6 14.7 27.0 119 119 A L H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 115.3 43.4 -69.8 -22.1 45.4 14.2 30.8 120 120 A K H < S+ 0 0 103 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.802 129.3 21.3 -92.9 -32.3 48.1 11.6 30.7 121 121 A N H < S+ 0 0 138 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.606 137.8 19.9-112.8 -14.7 50.6 13.3 28.3 122 122 A D >< + 0 0 84 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.1 -0.292 62.3 155.9-153.0 59.0 49.8 17.0 28.4 123 123 A P T 3 S+ 0 0 38 0, 0.0 31,-0.5 0, 0.0 -4,-0.1 0.590 74.2 62.6 -64.4 -11.1 47.8 17.8 31.6 124 124 A D T 3 S+ 0 0 53 -6,-0.1 162,-0.2 29,-0.1 -5,-0.1 0.500 76.2 120.8 -92.5 -4.2 48.9 21.4 31.5 125 125 A S X - 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