==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION/DNA 01-MAR-02 1J59 . COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.PARKINSON,C.WILSON,A.GUNASEKERA,Y.W.EBRIGHT,R.H.EBRIGHT, . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 22.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 3 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 6 2 3 1 3 1 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 . 1 0 4 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 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 9 A P >> 0 0 112 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 161.0 3.6 51.7 16.0 2 10 A T H 3> + 0 0 40 1,-0.2 4,-2.5 2,-0.2 102,-0.1 0.406 360.0 86.2 -87.3 5.0 5.5 54.7 17.5 3 11 A L H 3> S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 96.6 46.0 -64.2 -38.9 6.7 56.1 14.2 4 12 A E H <> S+ 0 0 93 -3,-0.7 4,-3.3 2,-0.3 -1,-0.2 0.885 104.5 59.1 -66.3 -38.5 3.3 57.8 14.3 5 13 A W H < S+ 0 0 73 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.942 110.9 46.5 -49.9 -45.2 4.1 58.7 18.0 6 14 A F H >X S+ 0 0 4 -4,-2.5 3,-3.5 2,-0.2 4,-0.7 0.992 112.0 44.6 -58.7 -70.9 7.0 60.4 16.3 7 15 A L H >< S+ 0 0 55 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.879 104.2 64.4 -48.7 -40.6 5.2 62.2 13.3 8 16 A S T 3< S+ 0 0 92 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.640 108.7 42.4 -60.4 -6.8 2.5 63.3 15.7 9 17 A H T <4 S+ 0 0 71 -3,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.357 110.3 77.7-108.8 -14.9 5.5 65.3 17.3 10 18 A C S << S- 0 0 18 -3,-2.0 2,-0.4 -4,-0.7 79,-0.2 -0.358 73.8-131.3 -91.6 177.9 6.8 66.3 14.0 11 19 A H B -A 88 0A 98 77,-2.3 77,-0.6 -2,-0.1 -3,-0.1 -0.936 20.8-141.1-142.8 111.9 5.8 68.9 11.4 12 20 A I - 0 0 73 -2,-0.4 2,-0.2 75,-0.3 75,-0.2 0.062 13.2-167.4 -60.0 169.2 5.4 68.1 7.8 13 21 A H - 0 0 99 71,-0.0 73,-3.2 2,-0.0 2,-0.5 -0.840 16.2-135.5-166.1 129.3 6.4 70.2 4.7 14 22 A K E -B 85 0A 183 -2,-0.2 71,-0.2 71,-0.2 69,-0.0 -0.806 26.3-177.5 -92.3 125.6 5.5 69.8 1.1 15 23 A Y E -B 84 0A 53 69,-1.0 69,-1.5 -2,-0.5 2,-0.2 -0.838 16.5-133.9-118.4 157.4 8.3 70.2 -1.5 16 24 A P > - 0 0 86 0, 0.0 3,-1.5 0, 0.0 64,-0.3 -0.706 41.6 -69.6-106.3 167.5 8.4 70.1 -5.3 17 25 A S T 3 S+ 0 0 55 1,-0.2 64,-0.2 -2,-0.2 63,-0.1 0.077 113.7 14.5 -47.2 158.8 10.7 68.3 -7.7 18 26 A K T 3 S+ 0 0 160 62,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.408 88.1 139.8 54.9 0.6 14.4 69.4 -8.1 19 27 A S < - 0 0 32 -3,-1.5 61,-2.5 61,-0.2 2,-1.3 -0.641 56.4-127.1 -82.3 125.1 14.1 71.5 -4.9 20 28 A T E -E 79 0B 59 -2,-0.5 59,-0.3 59,-0.3 -1,-0.1 -0.556 24.4-174.1 -73.4 90.6 17.3 71.3 -2.7 21 29 A L E S+ 0 0 12 -2,-1.3 2,-0.3 57,-0.9 58,-0.2 0.715 71.7 15.1 -57.3 -30.6 16.0 70.3 0.7 22 30 A I E S-E 78 0B 10 56,-1.2 56,-1.1 4,-0.0 2,-0.3 -0.905 73.0-145.5-139.0 161.1 19.5 70.7 2.5 23 31 A H > - 0 0 63 -2,-0.3 2,-2.0 54,-0.2 3,-1.3 -0.995 26.7-106.3-140.8 141.6 22.8 72.3 1.4 24 32 A Q T 3 S+ 0 0 94 -2,-0.3 51,-0.2 1,-0.2 53,-0.1 -0.260 106.1 30.8 -70.9 79.3 26.5 71.4 2.0 25 33 A G T 3 S+ 0 0 29 -2,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.154 86.9 106.6 172.2 -33.0 27.7 74.1 4.5 26 34 A E S < S- 0 0 121 -3,-1.3 48,-2.4 47,-0.2 2,-0.3 -0.075 77.3 -85.8 -68.3 164.4 24.8 75.1 6.7 27 35 A K B -H 73 0C 99 46,-0.3 2,-0.4 1,-0.0 46,-0.3 -0.595 34.7-130.0 -80.6 132.5 24.3 74.1 10.3 28 36 A A + 0 0 11 44,-3.1 44,-0.3 -2,-0.3 43,-0.2 -0.686 55.7 127.8 -81.9 130.4 22.7 70.8 11.2 29 37 A E + 0 0 69 -2,-0.4 62,-3.2 1,-0.3 2,-0.3 0.331 59.0 61.8-160.1 -11.3 19.9 71.2 13.8 30 38 A T E -C 90 0A 25 60,-0.3 2,-0.5 61,-0.1 -1,-0.3 -0.879 63.3-149.7-123.6 157.1 16.8 69.5 12.3 31 39 A L E -C 89 0A 0 58,-0.6 58,-0.7 -2,-0.3 32,-0.2 -0.962 19.5-150.8-135.2 106.6 16.4 65.8 11.3 32 40 A Y E -CD 88 62A 27 30,-2.3 30,-2.0 -2,-0.5 2,-0.3 -0.202 8.2-159.8 -77.4 172.4 14.0 65.2 8.4 33 41 A Y E -CD 87 61A 35 54,-1.2 54,-2.1 28,-0.3 2,-1.2 -0.929 22.4-124.7-153.7 123.6 11.9 62.2 7.6 34 42 A I E +C 86 0A 1 26,-2.5 25,-2.2 -2,-0.3 52,-0.2 -0.560 30.6 172.5 -81.9 92.5 10.5 61.4 4.1 35 43 A V E S- 0 0 31 50,-1.7 2,-0.4 -2,-1.2 -1,-0.2 0.987 73.8 -0.9 -59.0 -67.4 6.7 61.1 4.3 36 44 A K E S+C 85 0A 106 49,-1.1 49,-1.3 22,-0.1 -1,-0.3 -0.990 110.3 24.8-129.1 132.6 6.1 60.8 0.6 37 45 A G S S- 0 0 13 -2,-0.4 21,-0.4 47,-0.2 2,-0.3 -0.571 70.3 -83.5 119.8-177.1 8.6 61.0 -2.2 38 46 A S - 0 0 16 45,-0.2 43,-2.9 19,-0.2 44,-1.6 -0.978 31.7-172.4-133.5 149.2 12.3 60.4 -3.1 39 47 A V E -FG 56 80B 0 17,-3.0 17,-3.2 -2,-0.3 2,-0.4 -0.866 16.6-130.6-136.2 161.3 15.3 62.7 -2.7 40 48 A A E -FG 55 79B 2 39,-1.8 39,-1.1 -2,-0.3 2,-0.5 -0.957 7.4-149.0-124.1 138.6 18.9 62.5 -3.9 41 49 A V E +FG 54 78B 24 13,-3.6 12,-2.3 -2,-0.4 13,-1.5 -0.908 32.2 153.9-102.6 131.4 22.1 63.0 -1.8 42 50 A L E -FG 52 77B 3 35,-1.7 35,-3.0 -2,-0.5 10,-0.2 -0.980 28.1-154.3-154.0 156.3 25.0 64.4 -3.7 43 51 A I E -F 51 0B 20 8,-1.3 8,-0.9 -2,-0.3 2,-0.3 -0.512 25.6-117.5-115.6-171.9 28.2 66.4 -3.1 44 52 A K E -F 50 0B 91 6,-0.2 6,-0.2 -2,-0.2 2,-0.2 -0.967 9.1-118.4-141.9 155.8 30.1 68.6 -5.6 45 53 A D > - 0 0 37 4,-2.4 3,-2.9 -2,-0.3 6,-0.0 -0.441 51.3 -91.3 -78.6 157.8 33.4 69.0 -7.3 46 54 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.644 129.9 30.2 -49.1 -14.8 35.5 72.1 -6.7 47 55 A E T 3 S- 0 0 171 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.145 131.6 -75.5-131.7 15.5 33.6 73.6 -9.7 48 56 A G S < S+ 0 0 29 -3,-2.9 2,-0.1 1,-0.3 -2,-0.1 0.224 74.8 142.3 116.3 -24.8 30.2 72.0 -9.8 49 57 A K - 0 0 83 -5,-0.1 -4,-2.4 279,-0.0 -1,-0.3 -0.396 43.4-145.3 -57.5 121.9 30.5 68.5 -11.1 50 58 A E E -F 44 0B 48 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.432 16.8-165.3 -82.3 166.5 28.1 66.6 -9.0 51 59 A M E -F 43 0B 2 -8,-0.9 -8,-1.3 -2,-0.1 2,-0.3 -0.822 22.0-137.7-151.6 93.4 28.6 62.9 -7.8 52 60 A I E -F 42 0B 3 -2,-0.3 -10,-0.3 111,-0.2 3,-0.1 -0.510 16.4-169.1 -61.0 125.7 25.3 61.5 -6.5 53 61 A L E - 0 0 18 -12,-2.3 2,-0.2 1,-0.3 -11,-0.2 0.854 61.7 -35.7 -81.8 -41.3 26.0 59.6 -3.3 54 62 A S E -F 41 0B 45 -13,-1.5 -13,-3.6 2,-0.0 -1,-0.3 -0.926 52.4-116.6-172.4 158.0 22.6 57.8 -2.9 55 63 A Y E -F 40 0B 20 -15,-0.3 2,-0.4 -2,-0.2 -15,-0.3 -0.818 27.9-148.4-101.6 155.6 18.9 58.4 -3.5 56 64 A L E -F 39 0B 9 -17,-3.2 -17,-3.0 -2,-0.3 2,-0.1 -0.996 13.7-162.3-128.3 128.3 16.7 58.4 -0.4 57 65 A N > - 0 0 24 -2,-0.4 3,-0.6 -19,-0.2 -23,-0.3 -0.348 37.2 -58.7-104.7-175.9 13.0 57.2 -0.5 58 66 A Q T 3 S+ 0 0 130 -21,-0.4 -23,-0.2 1,-0.3 -1,-0.2 -0.345 120.9 37.3 -66.9 140.2 9.9 57.5 1.7 59 67 A G T 3 S+ 0 0 31 -25,-2.2 2,-0.3 1,-0.4 -1,-0.3 0.759 92.9 119.9 91.0 25.8 10.4 56.1 5.1 60 68 A D < - 0 0 36 -3,-0.6 -26,-2.5 -26,-0.2 -1,-0.4 -0.882 59.8-128.6-119.7 154.5 13.9 57.4 5.3 61 69 A F E -D 33 0A 6 -2,-0.3 2,-0.4 -28,-0.2 -28,-0.3 -0.814 23.6-153.9 -96.2 147.4 15.5 59.9 7.8 62 70 A I E +D 32 0A 4 -30,-2.0 -30,-2.3 -2,-0.3 16,-0.0 -0.960 65.3 10.3-126.2 140.1 17.5 62.9 6.5 63 71 A G S S+ 0 0 15 -2,-0.4 3,-0.5 -32,-0.2 4,-0.3 0.938 71.0 145.3 69.0 45.5 20.3 64.9 8.0 64 72 A E + 0 0 3 -3,-0.2 4,-0.1 1,-0.2 -1,-0.1 0.398 46.8 87.5 -94.8 4.6 20.8 62.6 10.9 65 73 A L S S+ 0 0 21 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.583 86.4 50.6 -81.8 -3.2 24.6 63.2 11.1 66 74 A G S > S+ 0 0 2 -3,-0.5 3,-2.1 -36,-0.2 -1,-0.2 0.754 84.1 89.5 -97.3 -27.7 24.4 66.3 13.3 67 75 A L T 3 S+ 0 0 1 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.533 88.7 48.3 -42.5 -17.9 22.2 64.6 15.9 68 76 A F T 3 S+ 0 0 21 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.022 115.2 24.7-121.2 26.1 25.2 63.3 17.8 69 77 A E S < S- 0 0 112 -3,-2.1 3,-0.4 3,-0.1 2,-0.3 -0.949 81.5 -94.1-174.8 164.0 27.5 66.4 18.2 70 78 A E S S- 0 0 151 -2,-0.3 -41,-0.1 1,-0.2 -3,-0.0 -0.667 87.3 -0.3 -99.4 151.4 27.2 70.2 18.2 71 79 A G S S+ 0 0 58 -2,-0.3 2,-0.4 -43,-0.2 -1,-0.2 0.772 77.4 153.2 50.9 41.1 27.6 72.8 15.5 72 80 A Q - 0 0 29 -3,-0.4 -44,-3.1 -44,-0.3 -1,-0.2 -0.778 41.3-121.4 -97.6 145.0 28.4 70.5 12.6 73 81 A E B -H 27 0C 120 -2,-0.4 2,-0.5 -46,-0.3 -46,-0.3 -0.140 33.3 -91.4 -73.4 174.5 27.5 71.6 9.1 74 82 A R - 0 0 12 -48,-2.4 -49,-0.3 -51,-0.4 -1,-0.1 -0.817 40.1-149.0 -86.0 130.1 25.1 69.7 6.7 75 83 A S + 0 0 45 -2,-0.5 2,-0.2 -51,-0.2 -51,-0.1 0.530 60.0 0.4 -88.1 -4.7 27.5 67.4 4.7 76 84 A A S S- 0 0 8 -33,-0.1 2,-0.3 -53,-0.1 -33,-0.2 -0.797 77.8 -83.2-155.9-165.0 25.9 67.0 1.2 77 85 A W E - G 0 42B 47 -35,-3.0 -35,-1.7 -2,-0.2 2,-0.4 -0.852 26.3-168.7-117.5 160.0 23.0 68.1 -0.9 78 86 A V E +EG 22 41B 7 -56,-1.1 -56,-1.2 -2,-0.3 -57,-0.9 -0.935 7.2 178.5-152.6 115.9 19.6 66.7 -1.1 79 87 A R E -EG 20 40B 64 -39,-1.1 -39,-1.8 -2,-0.4 -59,-0.3 -0.965 38.8-104.7-122.0 134.3 17.1 67.6 -3.8 80 88 A A E - G 0 39B 1 -61,-2.5 -62,-2.2 -2,-0.4 -41,-0.3 -0.424 23.8-166.1 -61.0 123.5 13.6 66.2 -4.2 81 89 A K S S- 0 0 56 -43,-2.9 2,-0.2 -64,-0.2 -42,-0.2 0.774 82.6 -2.4 -78.0 -28.1 13.7 63.8 -7.1 82 90 A T S S- 0 0 59 -44,-1.6 -63,-0.2 -65,-0.1 2,-0.1 -0.693 112.2 -52.3-140.8-170.7 9.9 64.0 -6.9 83 91 A A - 0 0 49 -2,-0.2 2,-0.4 -3,-0.1 -45,-0.2 -0.429 59.7-160.1 -70.8 149.2 7.5 65.8 -4.6 84 92 A C E -B 15 0A 1 -69,-1.5 -69,-1.0 -47,-0.2 2,-0.8 -0.871 27.7-158.6-145.6 117.1 8.1 65.2 -1.0 85 93 A E E -BC 14 36A 60 -49,-1.3 -50,-1.7 -2,-0.4 -49,-1.1 -0.783 32.0-173.0 -77.5 115.8 6.1 65.6 2.2 86 94 A V E - C 0 34A 0 -73,-3.2 -52,-0.2 -2,-0.8 -2,-0.1 -0.924 11.2-146.0-122.4 105.2 9.1 65.8 4.6 87 95 A A E - C 0 33A 0 -54,-2.1 -54,-1.2 -2,-0.6 2,-0.4 -0.251 16.1-155.8 -65.7 155.4 8.4 65.7 8.3 88 96 A E E +AC 11 32A 13 -77,-0.6 -77,-2.3 -56,-0.2 2,-0.2 -0.998 25.3 159.6-144.6 144.7 10.5 67.7 10.8 89 97 A I E - C 0 31A 3 -58,-0.7 -58,-0.6 -2,-0.4 2,-0.3 -0.574 39.8-111.2-127.6-171.5 11.5 67.7 14.4 90 98 A S E > - C 0 30A 40 -2,-0.2 4,-2.0 -60,-0.2 -60,-0.3 -0.841 30.0-102.8-126.0 170.1 14.6 69.5 15.8 91 99 A Y H > S+ 0 0 8 -62,-3.2 4,-2.5 -2,-0.3 5,-0.2 0.965 117.6 42.4 -56.8 -50.2 17.6 67.9 17.3 92 100 A K H > S+ 0 0 102 -63,-0.3 4,-2.7 1,-0.3 5,-0.3 0.914 111.4 51.1 -66.3 -44.5 16.7 68.6 20.9 93 101 A K H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.886 111.0 53.9 -63.8 -27.5 13.1 67.7 20.7 94 102 A F H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.964 108.1 45.7 -66.1 -52.8 14.3 64.5 19.1 95 103 A R H >X S+ 0 0 73 -4,-2.5 4,-2.0 1,-0.3 3,-1.1 0.891 113.4 51.4 -56.3 -38.5 16.7 63.6 21.9 96 104 A Q H 3< S+ 0 0 108 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.811 108.4 52.7 -64.0 -30.9 13.8 64.5 24.3 97 105 A L H 3X S+ 0 0 3 -4,-1.3 4,-0.8 -3,-0.3 -1,-0.3 0.529 108.7 52.7 -80.1 -9.9 11.9 62.1 22.1 98 106 A I H << S+ 0 0 11 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.905 96.8 56.9 -90.5 -54.4 14.6 59.4 22.7 99 107 A Q T < S+ 0 0 163 -4,-2.0 -1,-0.1 1,-0.1 -2,-0.1 0.408 114.0 47.6 -58.8 1.7 15.1 59.1 26.5 100 108 A V T 4 S+ 0 0 102 -5,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.742 127.5 13.3-110.3 -73.9 11.4 58.3 26.5 101 109 A N >< - 0 0 42 -4,-0.8 3,-0.8 1,-0.1 4,-0.3 -0.796 66.5-166.7-106.3 96.6 10.7 55.6 23.7 102 110 A P T >> + 0 0 40 0, 0.0 4,-1.6 0, 0.0 3,-1.0 0.655 65.5 95.4 -57.8 -13.2 14.2 54.3 22.7 103 111 A D H >> S+ 0 0 58 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.855 80.2 46.0 -48.5 -57.5 12.7 52.7 19.6 104 112 A I H <> S+ 0 0 3 -3,-0.8 4,-2.3 2,-0.3 -1,-0.3 0.695 103.3 61.6 -67.6 -20.7 13.3 55.4 17.0 105 113 A L H <> S+ 0 0 2 -3,-1.0 4,-2.7 -4,-0.3 -1,-0.3 0.951 110.1 46.1 -63.3 -38.7 16.9 55.9 18.0 106 114 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.9 0.979 110.1 51.5 -75.9 -56.7 17.4 55.7 12.8 109 117 A S H 3X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.807 104.5 59.6 -46.4 -36.0 20.7 53.9 13.6 110 118 A A H >X S+ 0 0 28 -4,-1.9 4,-1.8 -5,-0.2 3,-1.4 0.950 104.0 48.5 -61.2 -47.2 19.6 50.9 11.6 111 119 A Q H X S+ 0 0 70 -4,-1.8 4,-3.1 1,-0.2 3,-1.5 0.975 108.9 57.9 -52.9 -55.4 22.9 50.2 5.7 115 123 A R H 3X S+ 0 0 36 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.829 104.6 49.0 -50.1 -35.6 24.3 53.4 4.4 116 124 A L H 3X S+ 0 0 12 -4,-0.8 4,-1.4 -3,-0.3 -1,-0.3 0.820 112.6 49.9 -77.8 -24.5 27.8 52.7 5.5 117 125 A Q H X S+ 0 0 77 -4,-2.0 4,-3.2 2,-0.2 3,-1.7 0.939 105.6 56.4 -63.9 -51.0 30.6 49.1 -1.5 122 130 A K H 3X S+ 0 0 34 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.827 106.6 49.7 -51.8 -38.0 30.6 52.3 -3.7 123 131 A V H 3X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.646 109.5 52.8 -76.8 -15.9 34.1 52.9 -2.7 124 132 A G H <> S+ 0 0 5 -3,-1.7 4,-3.0 -4,-0.5 5,-0.4 0.938 110.8 46.3 -75.2 -53.4 34.8 49.3 -3.6 125 133 A N H X S+ 0 0 33 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.924 112.8 48.7 -52.8 -49.6 33.3 49.9 -7.1 126 134 A L H < S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.908 118.6 40.6 -60.3 -40.0 35.1 53.2 -7.7 127 135 A A H < S+ 0 0 31 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.774 129.1 24.5 -81.1 -27.2 38.4 51.7 -6.7 128 136 A F H < S+ 0 0 48 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.858 105.0 69.1-105.9 -45.6 38.0 48.2 -8.3 129 137 A L < - 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0 0 47 -4,-1.9 4,-0.5 1,-0.1 3,-0.4 -0.992 58.0-160.1-136.3 125.4 20.6 52.2 29.4 302 110 B P H > S+ 0 0 40 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.659 78.8 81.7 -77.0 -16.9 20.1 54.2 26.1 303 111 B D H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.852 85.7 52.0 -63.1 -39.6 23.6 55.8 26.3 304 112 B I H > S+ 0 0 0 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.963 106.1 54.8 -67.4 -42.3 25.7 53.0 24.9 305 113 B L H X S+ 0 0 4 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.804 111.4 47.0 -56.1 -27.5 23.5 52.7 21.8 306 114 B M H X S+ 0 0 50 -4,-1.0 4,-3.1 -3,-0.3 5,-0.4 0.955 104.5 57.8 -74.5 -53.0 24.2 56.4 21.3 307 115 B R H X S+ 0 0 87 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.712 110.5 47.4 -51.3 -21.3 27.9 56.1 21.8 308 116 B L H >X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.2 3,-0.9 0.944 110.5 48.2 -76.8 -69.1 27.7 53.6 18.9 309 117 B S H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.796 106.4 56.5 -44.0 -40.6 25.6 55.8 16.6 310 118 B A H 3X S+ 0 0 31 -4,-3.1 4,-2.1 2,-0.2 3,-0.4 0.987 108.3 51.0 -55.1 -48.0 27.8 58.8 17.1 311 119 B Q H > - 0 0 111 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.369 43.8 -89.9 -80.2 176.3 43.4 62.6 -9.6 331 139 B V H 3> S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.921 124.8 60.5 -55.7 -46.2 45.8 60.4 -7.7 332 140 B T H 3> S+ 0 0 50 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.859 109.0 45.5 -49.1 -38.8 48.3 63.1 -6.9 333 141 B G H <> S+ 0 0 23 -3,-0.8 4,-1.7 2,-0.2 3,-0.3 0.909 108.2 52.9 -73.7 -47.0 45.6 65.0 -5.1 334 142 B R H >X S+ 0 0 42 -4,-1.8 4,-2.6 1,-0.2 3,-0.8 0.963 107.1 55.5 -55.1 -46.5 44.2 62.1 -3.2 335 143 B I H 3X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.3 -1,-0.2 0.854 104.6 52.2 -58.3 -33.3 47.8 61.4 -1.9 336 144 B A H 3X S+ 0 0 29 -4,-1.1 4,-1.1 -3,-0.3 -1,-0.3 0.833 110.3 48.0 -73.4 -29.7 48.2 64.9 -0.6 337 145 B Q H < S- 0 0 68 -4,-1.2 3,-1.6 -3,-0.4 2,-0.7 -0.205 100.8 -72.0 -50.6 141.7 45.6 61.4 13.7 346 154 B P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.208 124.6 64.8 -55.8 95.2 47.3 59.8 16.8 347 155 B D T 3 S+ 0 0 91 -2,-0.7 2,-0.2 1,-0.3 11,-0.1 -0.049 82.6 98.3-173.3 -32.1 50.3 57.9 15.4 348 156 B A < - 0 0 19 -3,-1.6 2,-0.4 -6,-0.3 -1,-0.3 -0.472 62.6-154.2 -71.2 134.6 51.8 61.1 14.3 349 157 B M - 0 0 102 7,-0.3 7,-1.2 -2,-0.2 2,-0.1 -0.996 32.8 -91.5-129.7 128.2 54.4 62.6 16.5 350 158 B T - 0 0 123 -2,-0.4 5,-0.1 5,-0.2 3,-0.1 -0.071 41.4-164.1 -37.8 92.3 55.2 66.3 16.7 351 159 B H > - 0 0 42 -2,-0.1 3,-0.6 1,-0.1 4,-0.1 -0.554 30.6-114.8 -77.2 149.9 57.9 67.0 14.2 352 160 B P T 3 S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.971 107.5 16.7 -44.5 -64.2 59.6 70.4 14.7 353 161 B D T 3 S- 0 0 103 1,-0.3 -3,-0.0 -3,-0.1 42,-0.0 -0.786 140.0 -7.5-120.5 87.6 58.4 71.7 11.3 354 162 B G S < S- 0 0 22 -2,-0.6 -1,-0.3 -3,-0.6 42,-0.1 0.596 92.8 -88.3 95.6 114.8 55.5 69.6 10.0 355 163 B M - 0 0 57 -12,-0.2 41,-1.9 42,-0.2 2,-0.2 0.172 41.7-132.9 -48.2 166.2 54.6 66.4 11.7 356 164 B Q - 0 0 26 -7,-1.2 -7,-0.3 39,-0.2 2,-0.2 -0.564 22.8-179.2-111.1 177.4 56.2 63.1 10.8 357 165 B I - 0 0 8 37,-0.2 37,-3.8 -2,-0.2 2,-0.7 -0.881 27.4-126.2-177.1 151.1 54.8 59.5 10.1 358 166 B K B +S 393 0H 160 35,-0.2 2,-0.3 -2,-0.2 35,-0.2 -0.874 47.3 136.3-107.6 106.6 55.7 56.0 9.2 359 167 B I - 0 0 16 -2,-0.7 2,-0.3 33,-0.6 -2,-0.1 -0.989 44.7-127.6-145.2 148.0 53.9 54.6 6.1 360 168 B T > - 0 0 74 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.727 22.7-124.5 -91.3 148.3 55.0 52.5 3.1 361 169 B R H > S+ 0 0 77 -2,-0.3 4,-3.0 1,-0.2 -1,-0.1 0.861 115.6 63.8 -57.8 -29.5 54.3 53.7 -0.4 362 170 B Q H > S+ 0 0 109 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.971 107.4 38.9 -52.6 -55.5 52.7 50.2 -0.6 363 171 B E H >> S+ 0 0 68 2,-0.3 3,-1.4 1,-0.2 4,-0.7 0.883 110.7 54.4 -74.4 -37.8 50.1 51.2 2.0 364 172 B I H >X>S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.3 3,-2.0 0.964 104.3 63.2 -53.9 -40.4 49.6 54.7 0.8 365 173 B G H 3X>S+ 0 0 2 -4,-3.0 5,-1.8 1,-0.3 4,-0.8 0.722 102.6 46.5 -51.1 -29.8 48.9 52.7 -2.4 366 174 B Q H <<5S+ 0 0 42 -3,-1.4 -114,-2.2 -4,-0.6 -1,-0.3 0.454 113.8 46.0-100.2 3.5 45.9 51.0 -0.8 367 175 B I H <<5S+ 0 0 29 -3,-2.0 -2,-0.2 -4,-0.7 -3,-0.1 0.785 123.1 33.4 -98.8 -55.1 44.3 54.1 0.8 368 176 B V H <5S- 0 0 3 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.793 110.0-126.1 -71.5 -33.0 44.6 56.3 -2.3 369 177 B G T <> - 0 0 54 -2,-0.2 4,-2.9 -3,-0.1 3,-1.7 -0.921 32.2-103.8-131.7 150.0 50.2 51.4 -6.8 372 180 B R H 3> S+ 0 0 140 -2,-0.4 4,-1.1 1,-0.3 -1,-0.1 0.629 119.1 44.0 -24.5 -45.9 53.6 51.5 -4.9 373 181 B E H 3> S+ 0 0 88 2,-0.2 4,-1.8 3,-0.2 5,-0.3 0.895 116.0 43.6 -81.1 -36.3 55.5 52.8 -7.9 374 182 B T H <> S+ 0 0 35 -3,-1.7 4,-1.9 1,-0.2 5,-0.3 0.914 115.4 50.4 -69.1 -41.9 52.9 55.5 -9.0 375 183 B V H X S+ 0 0 0 -4,-2.9 4,-2.4 3,-0.2 -1,-0.2 0.912 112.7 56.2 -53.4 -38.9 52.7 56.3 -5.4 376 184 B G H >X S+ 0 0 17 -4,-1.1 4,-1.4 -5,-0.5 3,-0.7 0.962 108.0 35.3 -55.9 -93.6 56.4 56.4 -5.8 377 185 B R H 3X S+ 0 0 154 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.751 119.9 53.9 -39.2 -33.2 57.3 58.9 -8.6 378 186 B I H 3< S+ 0 0 21 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.982 103.6 52.7 -67.1 -53.4 54.4 61.1 -7.5 379 187 B L H XX S+ 0 0 6 -4,-2.4 3,-1.8 -3,-0.7 4,-1.3 0.885 109.4 50.7 -47.4 -47.9 55.5 61.4 -3.7 380 188 B K H >X S+ 0 0 127 -4,-1.4 4,-2.6 1,-0.3 3,-1.0 0.956 98.8 64.1 -56.8 -51.4 58.9 62.5 -4.9 381 189 B M H 3< S+ 0 0 112 -4,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.409 104.8 51.0 -55.1 4.4 57.2 65.1 -7.1 382 190 B L H <>>S+ 0 0 4 -3,-1.8 5,-2.2 3,-0.1 4,-1.2 0.687 106.1 49.2-105.5 -44.2 56.0 66.5 -3.7 383 191 B E H <<5S+ 0 0 69 -4,-1.3 -2,-0.2 -3,-1.0 -3,-0.1 0.974 119.0 42.1 -59.5 -52.6 59.4 66.5 -2.1 384 192 B D T <5S+ 0 0 132 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.987 113.7 47.9 -51.8 -73.8 60.6 68.4 -5.2 385 193 B Q T 45S- 0 0 138 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.756 119.6-129.9 -40.0 -27.9 57.6 70.6 -5.4 386 194 B N T <5S+ 0 0 127 -4,-1.2 -3,-0.3 -6,-0.3 -1,-0.2 0.666 74.7 116.0 89.9 24.0 58.6 70.9 -1.7 387 195 B L S