==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-13 4BKY . COMPND 2 MOLECULE: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.CANEVARI,S.RE DEPAOLINI,U.CUCCHI,B.FORTE,P.CARPINELLI,J.A. . 311 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 2 0 3 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 1 2 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 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 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 D > 0 0 75 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-169.5 33.5 18.3 10.1 2 4 A Y T 3> + 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.463 360.0 87.2 -87.4 -4.6 33.0 16.5 6.7 3 5 A D T 34 S+ 0 0 112 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.900 91.2 47.9 -60.9 -43.1 36.6 15.4 6.1 4 6 A E T X4 S+ 0 0 63 -3,-0.5 3,-0.6 1,-0.2 4,-0.4 0.892 114.7 45.5 -66.3 -40.2 36.1 12.2 8.1 5 7 A L G >> S+ 0 0 0 -4,-0.4 4,-1.9 1,-0.2 3,-1.5 0.875 105.3 60.1 -69.4 -40.0 32.9 11.3 6.3 6 8 A L G 3< S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.577 90.4 72.3 -70.5 -9.1 34.2 12.1 2.9 7 9 A K G <4 S+ 0 0 124 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.841 117.0 18.2 -64.7 -34.9 36.9 9.4 3.4 8 10 A Y T <4 S+ 0 0 58 -3,-1.5 21,-2.7 -4,-0.4 22,-0.4 0.614 122.6 50.2-116.2 -19.8 34.2 6.8 3.0 9 11 A Y E < -A 28 0A 1 -4,-1.9 2,-0.6 19,-0.2 19,-0.2 -0.962 59.2-141.0-131.0 141.5 31.1 8.4 1.3 10 12 A E E -A 27 0A 117 17,-2.3 17,-2.2 -2,-0.4 2,-0.4 -0.916 36.2-136.5 -89.9 122.6 30.3 10.6 -1.7 11 13 A L E +A 26 0A 43 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.690 26.8 176.4 -90.6 130.6 27.7 13.0 -0.5 12 14 A H E - 0 0 78 13,-3.4 3,-0.1 -2,-0.4 -1,-0.1 -0.151 40.7 -33.8-107.9-155.6 24.6 13.9 -2.6 13 15 A E E - 0 0 116 11,-0.1 12,-2.8 1,-0.1 2,-0.4 -0.201 60.3-101.1 -70.9 155.1 21.6 16.0 -2.0 14 16 A T E -A 24 0A 67 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.623 35.0-179.2 -67.4 125.5 19.7 16.6 1.2 15 17 A I E + 0 0 79 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.476 63.7 15.2-108.3 -6.9 16.6 14.4 1.1 16 18 A G E -A 23 0A 27 7,-1.4 7,-2.8 2,-0.0 2,-0.3 -0.960 55.3-158.4-166.1 147.8 15.2 15.6 4.5 17 19 A T E +A 22 0A 121 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.958 12.9 177.5-127.2 146.1 15.3 18.2 7.2 18 20 A G - 0 0 45 3,-2.8 -2,-0.0 -2,-0.3 5,-0.0 -0.616 49.8 -83.8-125.6-168.4 14.2 18.2 10.8 19 21 A G S S+ 0 0 86 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.883 124.5 5.7 -66.3 -38.8 14.4 20.6 13.7 20 22 A F S S+ 0 0 70 27,-0.1 21,-0.6 1,-0.0 2,-0.3 0.271 126.8 48.6-132.8 6.5 18.0 19.7 14.6 21 23 A A E - B 0 40A 22 19,-0.1 -3,-2.8 2,-0.0 2,-0.3 -0.959 54.6-152.4-145.8 161.0 19.1 17.3 11.9 22 24 A K E -AB 17 39A 70 17,-1.9 17,-3.2 -2,-0.3 2,-0.5 -0.946 12.2-142.3-129.7 157.2 19.3 16.7 8.2 23 25 A V E -AB 16 38A 36 -7,-2.8 -8,-3.0 -2,-0.3 -7,-1.4 -0.983 18.2-167.4-121.6 124.2 19.4 13.6 6.1 24 26 A K E -AB 14 37A 37 13,-2.7 13,-3.1 -2,-0.5 -10,-0.3 -0.895 22.7-123.6-112.1 138.7 21.6 13.4 3.0 25 27 A L E + B 0 36A 9 -12,-2.8 -13,-3.4 -2,-0.4 2,-0.3 -0.576 44.4 166.0 -68.6 137.1 21.7 10.9 0.2 26 28 A A E -AB 11 35A 0 9,-2.4 9,-2.7 -2,-0.3 2,-0.4 -0.935 33.2-127.5-147.9 167.1 25.2 9.4 -0.1 27 29 A C E -AB 10 34A 30 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.6 -0.992 22.1-128.4-123.5 130.0 27.1 6.6 -1.8 28 30 A H E >> -A 9 0A 0 5,-3.2 4,-2.3 -2,-0.4 3,-0.5 -0.687 22.1-146.6 -76.4 116.4 29.4 4.2 0.2 29 31 A I T 34 S+ 0 0 48 -21,-2.7 -1,-0.2 -2,-0.6 285,-0.1 0.882 88.8 49.1 -57.4 -47.4 32.6 4.3 -1.8 30 32 A L T 34 S+ 0 0 21 -22,-0.4 284,-3.2 1,-0.2 -1,-0.2 0.814 125.8 24.7 -65.9 -33.5 33.9 0.8 -1.3 31 33 A T T <4 S- 0 0 12 -3,-0.5 -1,-0.2 282,-0.2 -2,-0.2 0.570 93.5-129.1-108.1 -15.4 30.6 -1.0 -2.2 32 34 A G < + 0 0 55 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.519 58.4 146.8 71.9 8.1 28.9 1.5 -4.4 33 35 A E - 0 0 24 -5,-0.5 -5,-3.2 -6,-0.1 -1,-0.3 -0.537 50.0-122.6 -79.6 138.1 25.7 1.2 -2.2 34 36 A M E +B 27 0A 87 -7,-0.2 51,-0.6 -2,-0.2 2,-0.3 -0.550 36.7 176.9 -73.1 144.8 23.4 4.2 -1.7 35 37 A V E -BC 26 84A 0 -9,-2.7 -9,-2.4 -2,-0.2 2,-0.5 -0.913 28.8-124.7-141.3 165.7 22.9 5.1 2.0 36 38 A A E -BC 25 83A 10 47,-3.0 47,-3.6 -2,-0.3 2,-0.6 -0.981 23.5-156.2-119.0 124.6 21.1 7.9 3.9 37 39 A I E -BC 24 82A 0 -13,-3.1 -13,-2.7 -2,-0.5 2,-0.5 -0.882 3.9-153.3-109.0 115.5 23.3 9.9 6.3 38 40 A K E -BC 23 81A 27 43,-3.2 43,-2.8 -2,-0.6 2,-0.5 -0.773 17.9-161.1 -85.8 124.3 21.6 11.7 9.3 39 41 A I E -BC 22 80A 4 -17,-3.2 -17,-1.9 -2,-0.5 2,-0.3 -0.934 11.1-179.5-116.4 126.2 23.8 14.7 10.2 40 42 A M E -BC 21 79A 8 39,-2.6 39,-2.0 -2,-0.5 2,-0.5 -0.903 22.8-134.3-120.3 150.0 23.7 16.5 13.6 41 43 A D E - C 0 78A 41 -21,-0.6 37,-0.2 -2,-0.3 36,-0.1 -0.932 6.5-152.6-105.1 123.7 25.6 19.5 14.9 42 44 A K S S+ 0 0 60 35,-3.1 36,-0.1 -2,-0.5 -1,-0.1 0.465 93.8 50.1 -72.8 -3.4 26.9 19.1 18.5 43 45 A N S S+ 0 0 114 34,-0.4 -1,-0.2 1,-0.1 35,-0.1 0.862 113.0 38.6 -95.8 -55.6 26.8 22.9 19.0 44 46 A T 0 0 117 1,-0.2 -2,-0.1 -24,-0.1 -1,-0.1 0.041 360.0 360.0 -86.6 27.0 23.3 23.8 17.9 45 47 A L 0 0 75 -5,-0.1 -1,-0.2 -4,-0.0 -3,-0.1 0.711 360.0 360.0 -66.8 360.0 21.8 20.7 19.4 46 ! 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 47 50 A D > 0 0 102 0, 0.0 4,-0.7 0, 0.0 -27,-0.1 0.000 360.0 360.0 360.0 172.8 18.6 17.4 21.7 48 51 A L H > + 0 0 48 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.828 360.0 60.8 -77.6 -36.6 21.7 15.2 22.2 49 52 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.845 100.4 59.6 -55.6 -32.6 20.0 12.6 24.4 50 53 A R H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.858 105.2 46.9 -59.8 -40.6 17.7 12.0 21.4 51 54 A I H X S+ 0 0 8 -4,-0.7 4,-2.6 -3,-0.5 -1,-0.2 0.939 113.9 46.3 -68.4 -50.2 20.7 11.1 19.2 52 55 A K H X S+ 0 0 114 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.841 110.6 54.7 -60.9 -39.3 22.2 8.7 21.8 53 56 A T H X S+ 0 0 52 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.967 111.3 43.6 -59.3 -54.2 18.8 7.2 22.4 54 57 A E H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.922 113.3 51.5 -58.3 -47.7 18.3 6.3 18.7 55 58 A I H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.923 111.0 47.4 -57.0 -48.0 21.8 5.0 18.3 56 59 A E H X S+ 0 0 105 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.905 113.1 49.0 -61.3 -42.8 21.6 2.7 21.3 57 60 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.4 0.954 110.2 49.6 -60.8 -51.1 18.2 1.4 20.1 58 61 A L H 3< S+ 0 0 4 -4,-2.7 3,-0.4 1,-0.3 11,-0.4 0.732 102.7 60.7 -67.5 -24.9 19.3 0.7 16.5 59 62 A K H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.761 113.1 40.1 -65.5 -25.0 22.4 -1.2 17.7 60 63 A N S << S+ 0 0 86 -3,-1.6 2,-0.5 -4,-0.7 -2,-0.2 0.347 103.3 77.0-106.1 1.6 19.9 -3.6 19.4 61 64 A L + 0 0 3 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.0 -0.969 45.1 164.6-122.1 123.7 17.2 -3.8 16.7 62 65 A R + 0 0 46 -2,-0.5 2,-0.3 6,-0.1 196,-0.2 -0.933 22.4 137.5-140.2 111.4 17.7 -5.9 13.6 63 66 A H > - 0 0 2 -2,-0.4 3,-1.9 3,-0.4 193,-0.1 -0.997 62.3-112.9-162.5 146.3 14.5 -6.7 11.6 64 67 A Q T 3 S+ 0 0 33 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.637 118.3 42.0 -61.8 -16.0 13.1 -6.8 8.1 65 68 A H T 3 S+ 0 0 24 79,-0.1 80,-2.7 50,-0.1 2,-0.4 0.115 97.3 88.7-120.0 22.2 10.9 -3.8 8.8 66 69 A I B < S-e 145 0B 2 -3,-1.9 -3,-0.4 78,-0.3 2,-0.2 -0.984 84.2-112.9-121.9 127.4 13.3 -1.6 10.7 67 70 A C - 0 0 7 78,-2.2 2,-0.2 -2,-0.4 -2,-0.1 -0.404 42.3-120.6 -59.6 122.3 15.7 0.8 8.9 68 71 A Q - 0 0 6 -2,-0.2 16,-1.7 -4,-0.1 2,-0.4 -0.422 12.7-139.2 -76.6 135.2 19.2 -0.6 9.4 69 72 A L E +D 83 0A 0 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.768 26.3 168.5 -87.0 135.3 22.0 1.4 11.1 70 73 A Y E + 0 0 18 12,-3.1 2,-0.3 -2,-0.4 229,-0.2 0.753 56.2 7.2-111.6 -37.1 25.4 1.0 9.4 71 74 A H E -D 82 0A 6 11,-1.1 11,-3.1 224,-0.1 2,-0.5 -0.989 47.9-159.1-160.9 131.2 28.0 3.4 10.7 72 75 A V E +D 81 0A 36 219,-2.9 2,-0.4 -2,-0.3 9,-0.2 -0.992 15.9 178.8-119.9 125.4 28.3 6.0 13.5 73 76 A L E -D 80 0A 12 7,-2.5 7,-3.5 -2,-0.5 2,-0.5 -0.996 6.1-172.0-126.1 128.2 30.9 8.8 13.2 74 77 A E E +D 79 0A 109 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.967 8.1 178.5-122.6 118.6 31.4 11.5 15.7 75 78 A T - 0 0 32 3,-2.2 -33,-0.1 -2,-0.5 -73,-0.0 -0.505 50.7 -83.9-101.9 176.4 33.8 14.4 15.0 76 79 A A S S+ 0 0 79 1,-0.2 -1,-0.0 -2,-0.2 3,-0.0 0.895 127.3 15.0 -39.9 -51.5 34.6 17.5 17.1 77 80 A N S S+ 0 0 73 -36,-0.1 -35,-3.1 -35,-0.0 -34,-0.4 0.669 122.3 50.9-104.1 -24.7 31.5 19.3 15.8 78 81 A K E -C 41 0A 37 -37,-0.2 -3,-2.2 -36,-0.1 2,-0.4 -0.785 52.6-150.1-123.1 158.5 29.2 16.7 14.1 79 82 A I E -CD 40 74A 6 -39,-2.0 -39,-2.6 -2,-0.3 2,-0.5 -1.000 19.9-165.1-122.9 128.6 27.5 13.4 14.6 80 83 A F E -CD 39 73A 0 -7,-3.5 -7,-2.5 -2,-0.4 2,-0.5 -0.955 6.9-171.4-116.3 126.6 26.9 11.3 11.5 81 84 A M E -CD 38 72A 0 -43,-2.8 -43,-3.2 -2,-0.5 2,-0.6 -0.974 11.7-153.7-118.5 116.9 24.5 8.3 11.4 82 85 A V E +CD 37 71A 0 -11,-3.1 -12,-3.1 -2,-0.5 -11,-1.1 -0.805 25.3 173.1 -94.7 118.8 24.7 6.2 8.3 83 86 A L E -CD 36 69A 18 -47,-3.6 -47,-3.0 -2,-0.6 -14,-0.2 -0.712 38.9 -74.9-123.6 167.0 21.4 4.5 7.6 84 87 A E E -C 35 0A 21 -16,-1.7 2,-0.5 -2,-0.2 -49,-0.2 -0.372 45.1-130.1 -57.8 135.6 19.7 2.4 5.0 85 88 A Y - 0 0 62 -51,-0.6 54,-0.3 -2,-0.1 -51,-0.1 -0.839 17.0-160.4 -91.9 126.9 18.5 4.4 2.0 86 89 A C > - 0 0 9 -2,-0.5 3,-1.2 52,-0.1 51,-0.2 -0.932 3.5-166.8-108.4 107.1 14.9 3.7 1.1 87 90 A P T 3 S+ 0 0 69 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.514 77.7 70.6 -78.6 -2.1 14.2 4.7 -2.5 88 91 A G T 3 S- 0 0 40 49,-2.6 50,-0.2 1,-0.2 51,-0.0 0.461 92.8-143.6 -90.9 -1.5 10.4 4.5 -2.2 89 92 A G < - 0 0 34 -3,-1.2 48,-2.8 48,-0.4 -1,-0.2 -0.129 40.8 -19.5 69.9-167.7 10.1 7.6 0.0 90 93 A E B > -F 136 0B 69 46,-0.2 4,-1.2 1,-0.1 46,-0.2 -0.437 47.3-132.6 -80.5 144.9 7.7 8.2 2.9 91 94 A L H > S+ 0 0 0 44,-3.0 4,-2.2 41,-0.9 42,-0.2 0.877 106.9 60.7 -57.3 -40.2 4.4 6.3 3.5 92 95 A F H > S+ 0 0 68 40,-1.2 4,-2.2 43,-0.3 -1,-0.2 0.941 103.6 47.1 -55.4 -53.5 2.7 9.7 4.1 93 96 A D H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.787 110.3 55.6 -60.3 -27.6 3.6 11.0 0.6 94 97 A Y H X S+ 0 0 46 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.920 106.4 48.7 -70.6 -43.7 2.3 7.7 -0.8 95 98 A I H X S+ 0 0 4 -4,-2.2 4,-0.8 1,-0.2 3,-0.2 0.918 110.2 51.9 -61.0 -45.4 -1.1 8.0 0.9 96 99 A I H >< S+ 0 0 95 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.890 108.5 50.6 -60.4 -41.3 -1.5 11.6 -0.4 97 100 A S H 3< S+ 0 0 79 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 118.1 39.0 -67.1 -31.1 -0.8 10.5 -4.0 98 101 A Q H 3< S- 0 0 88 -4,-1.5 2,-2.4 -3,-0.2 -1,-0.2 0.449 99.1-137.2 -92.9 -2.7 -3.3 7.7 -3.7 99 102 A D S << S- 0 0 119 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.1 -0.485 77.8 -15.3 71.1 -66.7 -5.9 9.8 -1.8 100 103 A R S S- 0 0 102 -2,-2.4 2,-0.3 -3,-0.1 84,-0.2 -0.970 75.7-107.9-156.3 162.2 -6.4 6.7 0.4 101 104 A L - 0 0 6 82,-3.0 -6,-0.0 -2,-0.3 85,-0.0 -0.750 31.9-111.6 -99.4 146.0 -5.6 3.0 0.3 102 105 A S > - 0 0 64 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.197 35.3-106.9 -58.2 161.0 -8.1 0.2 -0.3 103 106 A E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 122.1 54.2 -56.8 -41.1 -8.8 -2.1 2.7 104 107 A E H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 113.1 39.1 -61.3 -49.4 -6.8 -4.8 0.8 105 108 A E H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.865 113.0 57.4 -71.6 -35.4 -3.7 -2.6 0.3 106 109 A T H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 5,-0.2 0.923 105.7 50.5 -55.7 -45.6 -4.0 -1.1 3.8 107 110 A R H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.892 107.5 53.7 -63.1 -39.4 -3.8 -4.6 5.2 108 111 A V H X S+ 0 0 62 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.947 118.1 35.7 -58.3 -48.0 -0.7 -5.3 3.2 109 112 A V H >X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 3,-0.7 0.918 115.7 54.1 -71.6 -46.0 1.1 -2.2 4.5 110 113 A F H 3X S+ 0 0 0 -4,-3.6 4,-2.7 1,-0.3 5,-0.2 0.850 100.7 59.1 -64.9 -34.4 -0.4 -2.4 8.0 111 114 A R H 3X S+ 0 0 15 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.3 0.849 105.5 51.0 -63.7 -31.0 0.7 -5.9 8.7 112 115 A Q H S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.926 112.4 45.6 -53.5 -46.5 10.3 -3.5 18.9 121 124 A H H ><5S+ 0 0 35 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.874 107.7 57.6 -65.4 -37.8 8.1 -4.3 21.9 122 125 A S H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 104.1 52.8 -63.5 -27.5 9.5 -7.8 22.0 123 126 A Q T 3<5S- 0 0 93 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.377 128.0 -99.4 -88.3 1.4 13.0 -6.3 22.4 124 127 A G T < 5S+ 0 0 63 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.629 83.8 113.8 92.7 17.2 11.8 -4.2 25.3 125 128 A Y < - 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0 0 78 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.931 61.6 -87.7-123.3 144.7 44.4 -9.1 5.6 278 297 A N > - 0 0 105 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.257 38.2-136.3 -42.0 118.7 44.6 -12.2 7.7 279 298 A R H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 102.9 51.1 -53.4 -44.7 41.1 -13.7 7.6 280 299 A Q H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 109.4 50.3 -63.3 -38.9 41.1 -14.4 11.4 281 300 A T H > S+ 0 0 65 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.892 112.1 49.0 -63.0 -40.5 42.1 -10.8 12.1 282 301 A M H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.934 110.8 48.3 -64.4 -50.5 39.3 -9.7 9.9 283 302 A E H X S+ 0 0 63 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.877 112.9 50.6 -56.1 -40.9 36.7 -12.0 11.5 284 303 A D H < S+ 0 0 94 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.896 111.4 46.1 -64.8 -44.7 38.0 -10.7 14.9 285 304 A L H >< S+ 0 0 75 -4,-2.2 3,-0.8 1,-0.2 5,-0.3 0.863 110.8 51.5 -73.0 -36.2 37.7 -7.0 14.0 286 305 A I H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.931 103.4 61.4 -60.0 -43.3 34.2 -7.3 12.5 287 306 A S T 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.621 86.0 74.0 -64.1 -13.8 33.1 -9.1 15.7 288 307 A L T < S- 0 0 104 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.736 86.2-155.0 -69.3 -21.7 33.9 -6.0 17.7 289 308 A W < + 0 0 69 -3,-2.3 -2,-0.1 -4,-0.3 -3,-0.1 0.897 33.5 157.2 48.7 52.6 30.7 -4.4 16.2 290 309 A Q - 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