==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-APR-06 2GTD . COMPND 2 MOLECULE: TYPE III PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.YANG,Y.EYOBO,A.L.BRAND,D.MARTYNOWSKI,D.TOMCHICK . 1488 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1062 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 13.3 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 . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 99 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.8 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 0 0 0 0 0 0 6 6 8 6 0 4 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 RESIDUES PER ALPHA HELIX . 0 18 0 6 0 1 5 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 . 6 0 0 0 0 18 0 6 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 6 0 6 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 0 224 0, 0.0 20,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 -38.8 39.5 64.3 2 2 A D - 0 0 104 2,-0.0 20,-0.1 18,-0.0 0, 0.0 -0.817 360.0-151.8-127.5 82.2 -35.0 39.3 63.9 3 3 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.315 19.3-117.9 -56.7 141.5 -34.1 35.6 64.5 4 4 A M E -a 57 0A 8 52,-0.7 54,-2.8 49,-0.1 55,-0.7 -0.641 30.4-162.2 -83.2 135.2 -30.5 35.1 65.9 5 5 A Y E -aB 59 20A 49 15,-3.0 15,-1.5 -2,-0.3 2,-0.6 -0.952 13.6-144.7-120.8 140.1 -28.1 33.1 63.7 6 6 A L E -aB 60 19A 0 53,-2.6 55,-2.5 -2,-0.4 2,-0.4 -0.910 18.6-167.1 -97.4 121.1 -24.8 31.4 64.6 7 7 A L E -aB 61 18A 0 11,-3.2 11,-2.3 -2,-0.6 2,-0.4 -0.915 3.9-164.4-108.7 133.4 -22.3 31.7 61.8 8 8 A V E -aB 62 17A 1 53,-2.6 55,-2.4 -2,-0.4 2,-0.5 -0.972 14.8-170.6-126.3 130.7 -19.2 29.5 61.9 9 9 A D E -aB 63 16A 30 7,-2.8 7,-2.7 -2,-0.4 2,-0.8 -0.906 14.5-161.0-120.5 103.3 -15.9 29.7 60.0 10 10 A V E +aB 64 15A 0 53,-2.5 55,-2.2 -2,-0.5 56,-0.2 -0.744 15.9 176.9 -89.8 106.9 -13.8 26.6 60.6 11 11 A G - 0 0 12 3,-1.8 22,-0.1 -2,-0.8 55,-0.1 -0.606 43.0-105.6-103.1 169.7 -10.2 27.2 59.8 12 12 A N S S+ 0 0 42 -2,-0.2 22,-0.1 1,-0.2 3,-0.1 0.826 118.2 18.8 -63.9 -30.2 -7.1 25.0 60.1 13 13 A T S S+ 0 0 26 1,-0.3 20,-1.9 20,-0.1 21,-0.5 0.811 132.3 16.9-108.8 -44.6 -5.8 26.9 63.0 14 14 A H E - C 0 32A 27 18,-0.3 -3,-1.8 19,-0.1 2,-0.4 -0.906 59.0-143.4-134.9 153.8 -8.8 28.8 64.4 15 15 A S E -BC 10 31A 1 16,-3.2 16,-2.2 -2,-0.3 2,-0.4 -0.991 13.6-146.1-120.5 134.5 -12.5 28.8 64.2 16 16 A V E -BC 9 30A 10 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.4 -0.846 12.0-170.7 -97.6 129.2 -14.7 31.9 64.2 17 17 A F E +BC 8 29A 4 12,-2.0 12,-2.6 -2,-0.4 2,-0.3 -0.989 14.0 171.1-119.5 129.3 -18.1 31.9 65.9 18 18 A S E -BC 7 28A 0 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.4 -0.990 20.0-152.6-141.5 144.5 -20.4 34.9 65.3 19 19 A I E +BC 6 27A 9 8,-2.1 8,-2.7 -2,-0.3 2,-0.3 -0.943 15.9 172.0-120.4 143.8 -24.0 35.8 66.1 20 20 A T E -B 5 0A 3 -15,-1.5 -15,-3.0 -2,-0.4 6,-0.1 -0.976 23.7-169.1-141.3 150.7 -26.1 38.3 64.2 21 21 A E S S+ 0 0 94 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.287 96.8 23.0-117.5 3.5 -29.9 39.1 64.4 22 22 A D S S- 0 0 57 3,-0.4 4,-0.1 -17,-0.1 -18,-0.1 0.484 98.7-115.6-141.7 -17.4 -29.8 41.2 61.2 23 23 A G S S+ 0 0 2 2,-0.4 3,-0.1 -18,-0.1 221,-0.1 0.615 103.9 71.0 79.8 13.6 -26.9 40.2 59.0 24 24 A K S S+ 0 0 168 1,-0.4 2,-0.5 0, 0.0 216,-0.1 0.581 90.8 51.5-126.0 -34.8 -25.2 43.6 59.4 25 25 A T S S- 0 0 101 2,-0.0 -4,-0.5 0, 0.0 -3,-0.4 -0.950 70.3-172.6-105.7 127.5 -24.0 43.6 63.0 26 26 A F - 0 0 22 -2,-0.5 2,-0.5 -6,-0.1 -6,-0.2 -0.976 17.0-156.4-122.1 128.9 -21.9 40.6 64.1 27 27 A R E -C 19 0A 134 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.4 -0.880 30.8-166.5 -93.0 132.8 -20.7 39.7 67.5 28 28 A R E +C 18 0A 86 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.940 23.6 178.1-134.9 152.3 -17.7 37.5 67.2 29 29 A W E -C 17 0A 16 -12,-2.6 -12,-2.0 -2,-0.4 2,-0.4 -0.881 15.1-146.7-134.7 166.8 -15.4 35.1 69.0 30 30 A R E +C 16 0A 69 -2,-0.3 1256,-0.4 -14,-0.2 1255,-0.3 -0.997 15.8 174.6-143.2 136.9 -12.5 33.0 68.0 31 31 A L E -C 15 0A 1 -16,-2.2 -16,-3.2 -2,-0.4 2,-0.2 -0.920 40.1 -97.6-135.6 155.6 -11.3 29.6 69.4 32 32 A S E -C 14 0A 17 -2,-0.3 -18,-0.3 -18,-0.2 -19,-0.1 -0.540 26.7-135.9 -71.3 147.2 -8.6 27.2 68.3 33 33 A T + 0 0 2 -20,-1.9 4,-0.3 -2,-0.2 -19,-0.1 0.906 41.8 178.5 -71.8 -42.0 -9.9 24.5 66.1 34 34 A G - 0 0 42 -21,-0.5 2,-0.3 -22,-0.1 -1,-0.1 -0.194 31.4 -88.4 73.5-172.3 -7.8 21.9 68.0 35 35 A V S S+ 0 0 108 1,-0.0 3,-0.1 34,-0.0 746,-0.1 -0.965 102.9 15.1-138.8 144.7 -7.9 18.2 67.3 36 36 A F S S+ 0 0 78 -2,-0.3 -2,-0.1 1,-0.2 744,-0.1 0.637 81.5 161.4 61.8 19.4 -10.3 15.7 68.8 37 37 A Q - 0 0 14 -4,-0.3 2,-0.3 741,-0.1 -1,-0.2 -0.366 24.5-150.9 -64.2 147.8 -12.6 18.5 70.0 38 38 A T > - 0 0 1 -3,-0.1 4,-2.4 739,-0.1 5,-0.1 -0.759 26.5-106.3-117.2 168.1 -16.1 17.2 70.8 39 39 A E H > S+ 0 0 31 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.837 121.3 50.5 -63.6 -32.0 -19.5 18.9 70.7 40 40 A D H > S+ 0 0 4 737,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.905 109.8 50.6 -74.0 -36.5 -19.6 19.1 74.5 41 41 A E H > S+ 0 0 9 736,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.922 110.9 48.9 -62.6 -45.7 -16.2 20.7 74.5 42 42 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.929 112.7 47.7 -55.9 -48.7 -17.4 23.2 71.9 43 43 A F H X S+ 0 0 31 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 111.2 51.6 -59.7 -41.5 -20.5 23.9 74.0 44 44 A S H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.933 110.5 47.6 -64.9 -43.5 -18.4 24.3 77.1 45 45 A H H < S+ 0 0 9 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.850 117.1 42.7 -64.0 -34.6 -16.1 26.8 75.4 46 46 A L H >X>S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.2 3,-1.0 0.759 93.5 83.7 -85.8 -24.4 -18.9 28.9 74.0 47 47 A H H 3X5S+ 0 0 76 -4,-2.2 4,-1.8 1,-0.3 7,-0.2 0.885 96.9 35.4 -51.6 -57.9 -21.1 28.9 77.1 48 48 A P H 345S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.605 119.7 53.7 -74.2 -9.4 -19.5 31.8 79.0 49 49 A L H <45S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.920 116.4 32.5 -85.8 -53.5 -18.8 33.6 75.8 50 50 A L H ><5S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.2 -3,-0.2 0.760 88.1 174.8 -71.7 -27.4 -22.3 33.6 74.3 51 51 A G G ><< - 0 0 36 -4,-1.8 3,-1.1 -5,-0.5 4,-0.3 -0.294 69.2 -6.7 56.5-132.2 -23.9 33.8 77.7 52 52 A D G > S+ 0 0 116 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.744 126.3 73.7 -65.5 -25.9 -27.7 34.2 77.4 53 53 A A G X S+ 0 0 7 -3,-1.7 3,-2.3 1,-0.2 4,-0.4 0.830 78.9 76.4 -57.4 -34.6 -27.5 34.6 73.6 54 54 A M G X S+ 0 0 12 -3,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.850 92.0 51.4 -45.3 -46.1 -26.8 30.9 73.3 55 55 A R G < S+ 0 0 193 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.591 101.8 62.4 -73.5 -9.8 -30.5 30.0 73.9 56 56 A E G < S+ 0 0 91 -3,-2.3 -52,-0.7 -4,-0.3 -1,-0.2 0.521 71.5 123.7 -90.3 -4.3 -31.7 32.5 71.2 57 57 A I E < +a 4 0A 11 -3,-1.1 -52,-0.2 -4,-0.4 3,-0.1 -0.408 28.7 171.9 -68.9 125.9 -30.0 30.7 68.3 58 58 A K E + 0 0 139 -54,-2.8 2,-0.3 1,-0.3 -53,-0.2 0.489 63.9 17.0-110.8 -10.0 -32.4 29.7 65.5 59 59 A G E -a 5 0A 7 -55,-0.7 -53,-2.6 24,-0.1 2,-0.4 -0.959 58.8-149.3-161.2 147.7 -30.1 28.6 62.7 60 60 A I E -a 6 0A 3 24,-0.4 26,-2.7 -2,-0.3 2,-0.4 -0.983 13.6-175.5-122.9 126.0 -26.5 27.6 62.3 61 61 A G E -ad 7 86A 0 -55,-2.5 -53,-2.6 -2,-0.4 2,-0.4 -0.959 8.5-169.5-119.3 144.2 -24.4 28.2 59.0 62 62 A V E -ad 8 87A 0 24,-2.9 26,-3.1 -2,-0.4 2,-0.5 -0.994 22.1-170.2-140.1 135.3 -20.9 27.0 58.5 63 63 A A E +a 9 0A 0 -55,-2.4 -53,-2.5 -2,-0.4 2,-0.4 -0.998 28.1 177.2-114.2 125.5 -18.0 27.4 56.1 64 64 A S E +a 10 0A 13 -2,-0.5 43,-0.5 24,-0.4 -53,-0.2 -0.994 34.8 179.2-136.0 134.4 -15.4 24.8 56.8 65 65 A V S S+ 0 0 14 -55,-2.2 349,-0.3 -2,-0.4 348,-0.3 0.140 78.0 76.9-109.7 17.0 -12.0 23.9 55.2 66 66 A V >> - 0 0 18 -56,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.756 58.4-175.3-127.4 80.9 -11.4 21.2 57.9 67 67 A P H >> S+ 0 0 65 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.772 81.1 64.8 -49.8 -30.3 -13.6 18.2 56.9 68 68 A T H 34 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.803 101.0 50.5 -62.7 -31.1 -12.5 16.3 60.1 69 69 A Q H <> S+ 0 0 7 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.599 89.4 85.4 -79.9 -12.5 -14.3 19.0 62.3 70 70 A N H S+ 0 0 10 -4,-0.3 4,-2.8 -3,-0.2 -2,-0.2 0.952 109.8 44.3 -62.4 -48.4 -18.4 17.7 65.5 73 73 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.882 113.2 51.9 -62.5 -41.3 -20.2 20.9 64.3 74 74 A E H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.953 112.5 45.2 -57.8 -51.7 -23.1 18.7 63.0 75 75 A R H X S+ 0 0 97 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.894 111.7 52.5 -60.0 -43.1 -23.4 16.9 66.4 76 76 A F H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 5,-0.5 0.936 110.7 47.6 -56.8 -49.7 -23.1 20.2 68.3 77 77 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 6,-1.2 0.936 116.3 42.8 -57.5 -51.4 -26.0 21.7 66.2 78 78 A Q H X S+ 0 0 94 -4,-2.3 4,-1.3 4,-0.3 -2,-0.2 0.924 118.8 42.5 -63.2 -46.7 -28.3 18.7 66.7 79 79 A K H < S+ 0 0 85 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.943 127.0 28.4 -70.4 -45.5 -27.6 18.1 70.4 80 80 A Y H < S+ 0 0 49 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.744 138.4 20.6 -92.8 -22.0 -27.7 21.6 71.6 81 81 A F H < S- 0 0 30 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.2 0.470 89.2-128.0-126.9 -3.1 -30.0 23.2 69.1 82 82 A H S < S+ 0 0 156 -4,-1.3 2,-0.3 -5,-0.5 -4,-0.3 0.844 75.8 102.0 55.9 37.6 -32.0 20.3 67.6 83 83 A I S S- 0 0 50 -6,-1.2 -2,-0.2 -9,-0.1 -1,-0.2 -0.970 71.3-121.8-141.4 157.5 -31.1 21.5 64.1 84 84 A S - 0 0 67 -2,-0.3 -24,-0.4 -7,-0.1 -10,-0.1 -0.784 36.4-118.0 -94.5 145.3 -28.7 20.6 61.3 85 85 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 -0.378 19.8-118.7 -78.0 164.9 -26.3 23.3 60.2 86 86 A I E -d 61 0A 70 -26,-2.7 -24,-2.9 -2,-0.1 2,-0.5 -0.908 28.2-142.4-102.3 133.2 -26.3 24.7 56.7 87 87 A W E -d 62 0A 70 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.837 9.3-126.9-106.6 125.0 -23.0 24.2 54.9 88 88 A V + 0 0 10 -26,-3.1 -24,-0.4 -2,-0.5 2,-0.3 -0.516 43.7 154.6 -67.6 130.7 -21.4 26.8 52.5 89 89 A K - 0 0 130 -2,-0.3 2,-0.5 -26,-0.1 14,-0.1 -0.960 50.4 -95.9-152.3 153.1 -20.5 25.2 49.2 90 90 A A + 0 0 15 -2,-0.3 2,-0.3 15,-0.2 17,-0.0 -0.707 56.3 159.9 -76.3 124.6 -20.1 26.5 45.6 91 91 A K - 0 0 142 -2,-0.5 4,-0.3 4,-0.1 -2,-0.0 -0.964 43.9 -83.5-140.9 162.4 -23.4 26.0 43.8 92 92 A N S S+ 0 0 147 -2,-0.3 2,-0.3 2,-0.1 4,-0.1 -0.246 78.8 81.4 -66.5 150.5 -25.1 27.5 40.7 93 93 A G S S- 0 0 46 2,-0.3 -1,-0.1 1,-0.0 0, 0.0 -0.967 95.8 -9.9 156.0-138.0 -26.9 30.8 41.0 94 94 A C S S+ 0 0 111 -2,-0.3 2,-0.6 2,-0.0 -2,-0.1 0.727 122.0 65.0 -73.4 -23.5 -26.0 34.5 41.1 95 95 A V S S- 0 0 7 -4,-0.3 2,-0.4 47,-0.1 -2,-0.3 -0.913 76.7-151.3 -95.8 125.8 -22.3 33.6 41.3 96 96 A K E -e 142 0B 129 45,-2.3 47,-3.7 -2,-0.6 2,-0.8 -0.815 7.5-146.1 -88.8 135.3 -20.9 31.9 38.2 97 97 A W E -e 143 0B 26 -2,-0.4 2,-1.5 45,-0.2 47,-0.1 -0.780 17.8-178.0-108.5 89.4 -18.0 29.6 39.1 98 98 A N + 0 0 87 45,-2.0 2,-0.3 -2,-0.8 -1,-0.1 -0.395 43.2 101.9 -89.0 61.1 -15.7 29.8 36.1 99 99 A V S S- 0 0 21 -2,-1.5 331,-0.1 1,-0.1 46,-0.1 -0.889 84.5 -99.4-139.5 166.1 -12.9 27.4 37.2 100 100 A K S S+ 0 0 157 329,-2.1 330,-0.1 -2,-0.3 -1,-0.1 0.876 112.8 11.1 -58.6 -43.5 -12.0 23.8 36.4 101 101 A N > - 0 0 64 328,-0.6 3,-2.1 1,-0.1 4,-0.3 -0.698 60.8-178.7-143.5 90.5 -13.6 22.4 39.6 102 102 A P G > S+ 0 0 39 0, 0.0 3,-1.7 0, 0.0 -12,-0.2 0.828 84.1 63.4 -60.4 -34.8 -15.9 24.7 41.6 103 103 A S G 3 S+ 0 0 81 1,-0.3 4,-0.1 -14,-0.1 -13,-0.1 0.674 96.4 61.1 -63.7 -15.9 -16.5 22.1 44.2 104 104 A E G < S+ 0 0 107 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.596 78.7 105.3 -86.2 -10.7 -12.8 22.1 45.1 105 105 A V S < S- 0 0 19 -3,-1.7 -15,-0.2 -4,-0.3 5,-0.1 -0.522 83.6-101.6 -77.1 135.9 -12.7 25.8 46.1 106 106 A G >> - 0 0 11 -2,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.257 23.2-124.9 -57.3 141.0 -12.5 26.3 49.9 107 107 A A H 3> S+ 0 0 11 -43,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.785 110.4 60.1 -59.6 -27.5 -15.8 27.2 51.6 108 108 A D H 3> S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 106.9 43.6 -66.9 -41.1 -14.1 30.2 53.0 109 109 A R H <> S+ 0 0 16 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.862 112.0 54.1 -70.7 -38.3 -13.3 31.6 49.6 110 110 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.945 109.5 49.0 -57.0 -49.3 -16.8 30.7 48.4 111 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.869 108.6 52.3 -59.4 -42.0 -18.2 32.7 51.3 112 112 A N H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.917 111.1 47.0 -60.2 -46.3 -16.0 35.7 50.5 113 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.878 112.0 50.6 -63.7 -41.4 -17.2 35.8 46.9 114 114 A V H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 112.9 45.5 -60.7 -49.6 -20.8 35.4 48.0 115 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.900 113.0 52.6 -62.3 -40.6 -20.5 38.3 50.5 116 116 A F H X>S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.2 5,-1.1 0.959 111.1 43.0 -57.0 -57.1 -18.7 40.4 47.9 117 117 A V H <5S+ 0 0 30 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.889 117.5 49.0 -60.4 -39.7 -21.3 40.0 45.1 118 118 A K H <5S+ 0 0 136 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 128.9 17.5 -65.3 -41.3 -24.1 40.6 47.7 119 119 A E H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.745 131.4 31.1-108.6 -26.5 -22.5 43.7 49.2 120 120 A Y T <5S- 0 0 76 -4,-3.4 3,-0.2 -5,-0.4 2,-0.2 0.482 101.7-109.3-121.6 -7.9 -19.9 45.3 47.0 121 121 A G < - 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