==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-13 4BL1 . 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. . 312 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 64.4 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 . 39 12.5 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 4 0 0 0 1 0 1 0 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 . 2 0 1 0 1 2 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 . 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 2 A K 0 0 179 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -61.9 36.3 20.1 7.9 2 3 A D + 0 0 14 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.712 360.0 60.4 -82.0 -30.0 34.0 17.7 9.9 3 4 A Y S > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.487 79.3 86.7 -68.3 -11.5 33.3 16.2 6.5 4 5 A D T 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.977 90.8 48.8 -60.6 -48.8 37.0 15.3 6.0 5 6 A E T 4 S+ 0 0 82 -3,-0.4 3,-0.4 -4,-0.3 4,-0.4 0.776 114.2 41.0 -55.1 -39.2 36.4 12.0 7.7 6 7 A L T >> S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.3 3,-1.7 0.858 102.4 66.6 -88.2 -40.5 33.2 10.8 5.9 7 8 A L T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.634 91.2 69.0 -55.2 -12.1 34.4 11.9 2.6 8 9 A K T 34 S+ 0 0 113 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.908 116.1 20.5 -68.2 -38.3 37.0 9.1 3.1 9 10 A Y T <4 S+ 0 0 61 -3,-1.7 21,-1.9 -4,-0.4 22,-0.4 0.707 123.1 46.7-110.1 -23.4 34.4 6.4 2.8 10 11 A Y E < -A 29 0A 1 -4,-2.7 2,-0.6 19,-0.2 19,-0.2 -0.933 60.4-138.2-131.7 146.0 31.4 8.0 1.0 11 12 A E E -A 28 0A 107 17,-2.3 17,-1.5 -2,-0.4 2,-0.2 -0.894 35.4-135.1 -92.4 121.7 30.6 10.1 -2.0 12 13 A L E +A 27 0A 46 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.550 27.1 173.6 -86.9 139.8 27.9 12.7 -1.0 13 14 A H E - 0 0 74 13,-3.2 2,-0.1 -2,-0.2 -1,-0.1 -0.266 41.3 -35.5-119.1-149.9 24.9 13.5 -3.0 14 15 A E E - 0 0 114 -2,-0.1 12,-2.4 11,-0.1 -1,-0.2 -0.442 61.4-101.0 -79.5 145.3 21.8 15.6 -2.6 15 16 A T E +A 25 0A 66 10,-0.3 10,-0.3 1,-0.1 3,-0.1 -0.378 37.7 179.8 -48.2 135.7 19.8 16.1 0.7 16 17 A I E + 0 0 73 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.210 64.3 19.2-126.6 4.1 16.7 13.7 0.3 17 18 A G E -A 24 0A 28 7,-1.0 7,-2.5 2,-0.0 -1,-0.4 -0.942 53.5-163.5-175.9 140.4 15.2 14.6 3.7 18 19 A T E +A 23 0A 115 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.978 16.9 171.2-132.3 123.5 15.2 17.3 6.6 19 20 A G - 0 0 52 3,-2.9 -2,-0.0 -2,-0.3 5,-0.0 -0.335 51.5 -92.0-107.1-153.0 13.8 16.6 10.0 20 21 A G S S+ 0 0 75 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 0.685 123.5 28.9 -93.2 -19.4 13.9 18.7 13.1 21 22 A F S S+ 0 0 94 1,-0.2 2,-0.3 25,-0.0 21,-0.2 0.577 121.1 27.4-115.7 -12.5 17.1 17.0 14.2 22 23 A A - 0 0 13 19,-0.1 -3,-2.9 2,-0.0 2,-0.4 -0.984 54.9-137.1-153.6 147.9 19.0 15.9 11.2 23 24 A K E -AB 18 40A 77 17,-2.1 17,-3.2 -2,-0.3 2,-0.5 -0.938 29.2-150.6-106.0 143.1 19.7 16.6 7.4 24 25 A V E -AB 17 39A 33 -7,-2.5 -8,-2.9 -2,-0.4 -7,-1.0 -0.967 12.5-168.5-126.7 120.8 19.8 13.3 5.5 25 26 A K E -AB 15 38A 41 13,-2.6 13,-2.2 -2,-0.5 2,-0.4 -0.853 25.0-122.8-113.6 132.5 21.9 12.9 2.3 26 27 A L E + B 0 37A 15 -12,-2.4 -13,-3.2 -2,-0.4 2,-0.3 -0.636 45.0 167.6 -60.8 131.7 22.0 10.2 -0.5 27 28 A A E -AB 12 36A 0 9,-2.0 9,-2.1 -2,-0.4 2,-0.4 -0.857 31.1-130.9-141.4 167.6 25.6 9.0 -0.5 28 29 A C E -AB 11 35A 22 -17,-1.5 -17,-2.3 -2,-0.3 2,-1.2 -1.000 22.3-125.8-124.7 130.4 27.5 5.9 -2.1 29 30 A H E > -A 10 0A 0 5,-2.7 4,-2.6 -2,-0.4 3,-0.4 -0.669 22.2-149.9 -73.6 105.0 29.8 3.7 -0.1 30 31 A I T 4 S+ 0 0 65 -21,-1.9 3,-0.4 -2,-1.2 -1,-0.2 0.889 88.2 50.2 -41.5 -62.7 33.0 3.9 -2.2 31 32 A L T 4 S+ 0 0 42 -22,-0.4 284,-0.6 1,-0.2 -1,-0.2 0.850 127.0 22.5 -47.4 -50.3 34.4 0.4 -1.3 32 33 A T T 4 S- 0 0 6 -3,-0.4 -1,-0.2 282,-0.2 -2,-0.2 0.492 93.4-132.1 -98.5 -7.3 31.2 -1.6 -2.1 33 34 A G < + 0 0 40 -4,-2.6 -3,-0.1 -3,-0.4 2,-0.1 0.386 56.5 144.6 71.6 -6.8 29.4 0.9 -4.5 34 35 A E - 0 0 15 -5,-0.4 -5,-2.7 -6,-0.1 -1,-0.2 -0.418 53.4-119.6 -65.4 136.0 26.1 0.4 -2.5 35 36 A M E +B 28 0A 76 -7,-0.2 50,-0.6 -2,-0.1 2,-0.3 -0.526 40.4 173.2 -71.9 145.1 23.8 3.5 -2.1 36 37 A V E -BC 27 84A 0 -9,-2.1 -9,-2.0 -2,-0.2 2,-0.5 -0.897 27.6-125.9-143.9 174.3 23.2 4.5 1.6 37 38 A A E -BC 26 83A 8 46,-3.1 46,-4.3 -2,-0.3 2,-0.5 -0.991 21.3-155.4-133.3 137.0 21.5 7.4 3.4 38 39 A I E -BC 25 82A 0 -13,-2.2 -13,-2.6 -2,-0.5 2,-0.5 -0.973 5.8-150.9-123.9 133.3 23.3 9.3 5.9 39 40 A K E -BC 24 81A 17 42,-2.5 42,-3.2 -2,-0.5 2,-0.5 -0.843 16.3-161.0-108.6 118.5 21.8 11.3 8.7 40 41 A I E -BC 23 80A 2 -17,-3.2 -17,-2.1 -2,-0.5 2,-0.4 -0.900 7.3-172.7-112.9 124.3 23.9 14.3 9.8 41 42 A M E - C 0 79A 2 38,-2.6 38,-2.2 -2,-0.5 2,-0.7 -0.975 22.8-136.2-123.5 128.2 23.5 16.0 13.1 42 43 A D E - C 0 78A 38 -2,-0.4 36,-0.2 -21,-0.2 -2,-0.0 -0.755 12.8-158.9 -68.6 106.7 25.1 19.2 14.5 43 44 A K S S+ 0 0 78 34,-2.3 3,-0.2 -2,-0.7 -1,-0.1 0.821 88.0 52.7 -57.3 -34.9 26.2 18.4 18.0 44 45 A N S S+ 0 0 107 33,-0.6 2,-1.7 1,-0.2 -1,-0.2 0.982 100.1 56.3 -68.2 -57.6 26.1 22.1 18.9 45 46 A T 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.538 360.0 360.0 -86.8 79.0 22.7 23.2 17.8 46 47 A L 0 0 62 -2,-1.7 -25,-0.0 -3,-0.2 -5,-0.0 -0.841 360.0 360.0 171.9 360.0 20.3 20.9 19.8 47 ! 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 48 51 A L 0 0 136 0, 0.0 3,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -74.6 19.7 16.5 22.5 49 52 A P > + 0 0 81 0, 0.0 4,-1.4 0, 0.0 5,-0.1 -0.291 360.0 117.2-114.2 29.6 21.2 12.9 23.3 50 53 A R H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.670 70.6 61.0 -47.0 -26.9 18.2 11.8 21.4 51 54 A I H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.909 94.4 54.7 -77.5 -45.3 21.0 10.5 19.2 52 55 A K H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 111.1 50.8 -55.8 -36.6 22.6 8.3 21.8 53 56 A T H X S+ 0 0 52 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.933 108.3 47.7 -68.5 -52.1 19.0 6.7 22.0 54 57 A E H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.877 116.8 44.0 -53.0 -43.9 18.5 6.1 18.3 55 58 A I H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.918 113.1 49.8 -76.8 -44.6 22.0 4.5 17.9 56 59 A E H X S+ 0 0 84 -4,-2.6 4,-0.7 -5,-0.3 -2,-0.2 0.908 115.8 47.1 -54.1 -42.1 21.7 2.4 21.1 57 60 A A H >< S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 -2,-0.2 0.970 112.0 45.8 -64.0 -58.1 18.3 1.3 19.8 58 61 A L H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.3 11,-0.3 0.761 104.6 59.6 -63.6 -30.1 19.3 0.5 16.2 59 62 A K H 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.739 113.1 44.5 -65.8 -25.1 22.5 -1.5 17.2 60 63 A N T << S+ 0 0 85 -3,-1.3 2,-0.5 -4,-0.7 -1,-0.2 0.318 102.1 73.8 -97.8 3.2 19.9 -3.7 19.1 61 64 A L < + 0 0 0 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.1 -0.917 48.5 166.3-129.4 116.1 17.2 -4.0 16.5 62 65 A R + 0 0 47 -2,-0.5 2,-0.3 6,-0.1 197,-0.2 -0.956 23.3 134.4-135.0 108.6 17.8 -6.2 13.5 63 66 A H > - 0 0 6 -2,-0.5 3,-1.4 3,-0.3 194,-0.1 -0.989 64.3-112.9-161.9 139.6 14.6 -6.9 11.4 64 67 A Q T 3 S+ 0 0 33 -2,-0.3 4,-0.1 1,-0.2 52,-0.1 0.597 119.9 41.4 -53.3 -17.8 13.3 -7.1 7.8 65 68 A H T 3 S+ 0 0 21 79,-0.1 80,-3.0 2,-0.1 2,-0.4 0.357 98.6 86.6-118.4 6.4 11.1 -4.0 8.6 66 69 A I B < S-e 145 0B 1 -3,-1.4 -3,-0.3 78,-0.3 2,-0.2 -0.885 87.3-111.9-105.3 131.8 13.5 -2.0 10.6 67 70 A C - 0 0 4 78,-2.3 2,-0.2 -2,-0.4 -6,-0.1 -0.450 37.5-122.5 -63.3 125.3 16.0 0.4 8.8 68 71 A Q - 0 0 3 -2,-0.2 16,-2.2 -4,-0.1 2,-0.4 -0.482 14.4-142.1 -74.8 131.0 19.5 -1.1 9.2 69 72 A L E +D 83 0A 0 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.796 23.7 172.5 -79.9 128.2 22.3 1.1 10.8 70 73 A Y E + 0 0 17 12,-3.9 2,-0.3 -2,-0.4 230,-0.2 0.743 56.0 4.3-108.2 -27.7 25.7 0.6 9.2 71 74 A H E -D 82 0A 5 11,-0.9 11,-3.7 225,-0.1 2,-0.4 -0.976 47.5-163.4-164.8 128.0 28.3 3.2 10.5 72 75 A V E +D 81 0A 33 220,-2.6 2,-0.3 -2,-0.3 9,-0.2 -0.972 13.5 177.6-113.7 139.3 28.4 5.8 13.2 73 76 A L E -D 80 0A 15 7,-1.5 7,-2.6 -2,-0.4 2,-0.4 -0.970 12.2-158.3-137.1 124.2 31.3 8.5 13.0 74 77 A E E -D 79 0A 126 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.860 13.4-166.1 -99.7 138.1 31.5 11.4 15.6 75 78 A T - 0 0 24 3,-4.3 -73,-0.1 -2,-0.4 -72,-0.0 -0.601 46.5 -86.5-106.5 174.8 33.5 14.5 14.6 76 79 A A S S+ 0 0 81 -2,-0.2 -74,-0.1 1,-0.1 3,-0.0 0.795 129.4 1.2 -33.2 -37.3 34.8 17.5 16.5 77 80 A N S S+ 0 0 46 1,-0.1 -34,-2.3 -34,-0.1 -33,-0.6 0.517 121.5 65.9-137.8 -17.9 31.2 18.8 15.7 78 81 A K E -C 42 0A 26 -36,-0.2 -3,-4.3 -35,-0.1 2,-0.4 -0.805 50.7-155.6-106.7 154.7 29.1 16.3 13.9 79 82 A I E -CD 41 74A 25 -38,-2.2 -38,-2.6 -2,-0.3 2,-0.4 -0.996 21.5-166.3-112.7 134.4 27.5 12.9 14.5 80 83 A F E -CD 40 73A 0 -7,-2.6 -7,-1.5 -2,-0.4 2,-0.5 -0.977 4.3-162.9-121.4 129.2 26.9 11.1 11.2 81 84 A M E -CD 39 72A 0 -42,-3.2 -42,-2.5 -2,-0.4 2,-0.6 -0.951 7.6-150.9-118.5 124.2 24.7 8.0 10.9 82 85 A V E +CD 38 71A 0 -11,-3.7 -12,-3.9 -2,-0.5 -11,-0.9 -0.759 26.5 175.6 -99.6 119.9 24.9 5.6 7.9 83 86 A L E -CD 37 69A 10 -46,-4.3 -46,-3.1 -2,-0.6 -14,-0.2 -0.809 39.6 -83.0-124.2 168.5 21.7 3.9 7.2 84 87 A E E -C 36 0A 38 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.442 51.9-121.6 -64.8 127.5 20.1 1.6 4.7 85 88 A Y - 0 0 68 -50,-0.6 54,-0.3 -2,-0.2 -1,-0.1 -0.620 22.1-162.3 -80.6 134.5 18.9 3.7 1.8 86 89 A C > + 0 0 15 -2,-0.4 3,-0.7 52,-0.1 52,-0.2 -0.945 9.8 179.7-118.1 99.6 15.1 3.4 1.2 87 90 A P T 3 + 0 0 61 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.652 66.4 83.3 -80.6 -18.9 14.4 4.8 -2.4 88 91 A G T 3 S- 0 0 39 49,-2.1 50,-0.2 54,-0.1 2,-0.1 0.675 92.8-130.6 -55.0 -22.3 10.7 4.2 -2.2 89 92 A G < - 0 0 32 -3,-0.7 48,-2.3 48,-0.4 -1,-0.1 -0.200 42.9 -42.0 90.4 161.7 10.0 7.6 -0.3 90 93 A E B > -F 136 0B 63 46,-0.2 4,-1.2 1,-0.1 46,-0.2 -0.377 46.4-126.6 -56.7 146.0 7.9 8.0 2.9 91 94 A L H > S+ 0 0 0 44,-3.0 4,-1.9 41,-1.1 3,-0.4 0.899 111.0 63.9 -58.4 -40.6 4.6 6.1 3.3 92 95 A F H > S+ 0 0 73 40,-1.0 4,-1.9 43,-0.3 -1,-0.2 0.900 102.5 49.3 -46.1 -46.3 2.9 9.5 4.0 93 96 A D H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.837 106.1 56.7 -71.2 -28.0 3.9 10.6 0.4 94 97 A Y H X S+ 0 0 46 -4,-1.2 4,-2.1 -3,-0.4 3,-0.2 0.932 106.6 47.7 -75.0 -41.4 2.4 7.4 -1.0 95 98 A I H X S+ 0 0 10 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.976 105.9 60.5 -51.5 -59.4 -1.1 8.0 0.6 96 99 A I H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 110.7 39.8 -39.0 -38.0 -1.0 11.7 -0.8 97 100 A S H < S+ 0 0 86 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.951 120.6 41.3 -88.6 -45.8 -0.8 10.5 -4.3 98 101 A Q H < S- 0 0 88 -4,-2.1 2,-2.3 -5,-0.2 -2,-0.2 0.452 99.8-136.7 -70.7 -10.7 -3.2 7.5 -4.1 99 102 A D S < S- 0 0 112 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.1 -0.281 74.9 -19.8 78.4 -52.3 -5.6 9.6 -1.9 100 103 A R S S- 0 0 87 -2,-2.3 2,-0.3 -6,-0.1 85,-0.2 -0.938 78.9 -99.6-172.2 168.4 -6.0 6.6 0.3 101 104 A L - 0 0 5 83,-3.5 86,-0.0 -2,-0.3 -6,-0.0 -0.772 28.7-112.9-109.3 149.1 -5.5 2.9 0.1 102 105 A S > - 0 0 64 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.165 38.9-108.8 -62.6 171.2 -7.9 0.0 -0.6 103 106 A E H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.666 118.6 58.4 -74.4 -20.7 -8.3 -2.2 2.5 104 107 A E H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.958 111.5 37.5 -74.6 -50.3 -6.4 -4.9 0.6 105 108 A E H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.817 113.6 57.3 -62.5 -41.0 -3.4 -2.8 0.1 106 109 A T H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.939 106.5 50.9 -57.4 -47.6 -3.8 -1.2 3.5 107 110 A R H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.911 109.1 51.7 -50.9 -42.0 -3.6 -4.9 5.0 108 111 A V H X S+ 0 0 60 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.967 117.9 36.1 -68.1 -53.5 -0.5 -5.5 3.0 109 112 A V H >X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 3,-0.7 0.903 116.2 52.4 -56.3 -51.1 1.3 -2.5 4.3 110 113 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.3 -2,-0.2 0.830 101.7 59.9 -65.5 -42.4 -0.2 -2.5 7.9 111 114 A R H 3X S+ 0 0 17 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.816 104.9 51.1 -52.7 -32.6 0.9 -6.1 8.5 112 115 A Q H S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.2 3,-0.5 0.897 110.4 45.9 -42.2 -52.4 10.4 -3.7 18.7 121 124 A H H ><5S+ 0 0 32 -4,-2.9 3,-2.3 1,-0.2 -1,-0.2 0.873 103.6 63.0 -64.8 -32.1 8.2 -4.4 21.7 122 125 A S H 3<5S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.1 52.9 -63.1 -28.1 9.6 -8.0 21.8 123 126 A Q T 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.276 126.2-101.7 -85.3 6.1 13.0 -6.4 22.5 124 127 A G T < 5S+ 0 0 42 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.626 83.7 112.5 84.7 11.0 11.7 -4.4 25.3 125 128 A Y < - 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0 0 107 -4,-0.2 -219,-0.1 1,-0.0 -1,-0.1 0.664 54.1-125.6 -79.4 -21.0 32.3 -0.9 16.5 292 310 A Y + 0 0 8 1,-0.2 -220,-2.6 -221,-0.1 2,-0.2 0.842 67.2 133.8 67.0 38.9 30.1 0.5 13.8 293 311 A D S > S- 0 0 48 -222,-0.2 4,-2.3 -220,-0.0 3,-0.3 -0.435 79.8 -75.9 -99.3-175.2 33.2 1.8 12.1 294 312 A H H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.690 132.1 58.3 -61.7 -19.3 34.0 1.5 8.4 295 313 A L H > S+ 0 0 27 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.976 107.3 43.5 -72.4 -53.5 34.9 -2.0 8.9 296 314 A T H > S+ 0 0 2 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.915 114.1 55.5 -46.4 -49.2 31.4 -3.0 10.3 297 315 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.917 108.3 44.3 -53.5 -61.5 29.9 -0.9 7.4 298 316 A T H < S+ 0 0 0 -4,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.800 114.6 50.7 -51.9 -43.2 31.7 -2.7 4.6 299 317 A Y H >X S+ 0 0 7 -4,-2.2 4,-1.4 2,-0.2 3,-1.1 0.971 114.4 42.1 -59.4 -59.9 30.9 -6.0 6.2 300 318 A L H 3X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.832 111.4 54.9 -56.8 -40.7 27.1 -5.2 6.6 301 319 A L H 3< S+ 0 0 2 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.3 0.654 105.1 54.4 -70.4 -17.9 26.8 -3.6 3.2 302 320 A L H <> S+ 0 0 0 -3,-1.1 4,-1.4 -4,-0.5 -2,-0.2 0.797 104.4 53.4 -85.8 -34.2 28.2 -6.8 1.7 303 321 A L H X S+ 0 0 30 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.880 104.6 56.0 -55.7 -44.1 25.5 -8.8 3.5 304 322 A A H X S+ 0 0 21 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.780 104.6 53.6 -57.0 -33.1 23.0 -6.4 1.8 305 323 A K H 4>S+ 0 0 30 -4,-0.5 5,-4.3 2,-0.2 -1,-0.2 0.885 111.2 45.5 -62.8 -41.6 24.6 -7.6 -1.5 306 324 A K H ><5S+ 0 0 71 -4,-1.4 3,-2.3 3,-0.2 -2,-0.2 0.978 111.0 50.4 -70.2 -55.0 23.9 -11.2 -0.4 307 325 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 113.1 47.7 -47.5 -33.4 20.3 -10.5 0.7 308 326 A R T 3<5S- 0 0 68 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.386 120.4-112.9 -88.0 2.3 19.6 -8.8 -2.7 309 327 A G T < 5 + 0 0 59 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.934 67.4 145.8 59.5 47.8 21.3 -11.8 -4.5 310 328 A K < - 0 0 111 -5,-4.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.846 58.8 -93.2-105.7 152.7 24.3 -9.8 -5.7 311 329 A P - 0 0 80 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.314 36.3-119.7 -50.9 144.4 27.8 -11.1 -6.0 312 330 A V + 0 0 17 -7,-0.1 2,-0.3 -6,-0.0 -10,-0.1 -0.730 64.1 140.9 -86.5 87.7 29.9 -10.5 -2.8 313 331 A R - 0 0 123 -2,-1.1 2,-0.5 -281,-0.1 -41,-0.0 -0.896 45.0-132.8-136.0 152.3 32.7 -8.2 -4.6 314 332 A L 0 0 12 -2,-0.3 -282,-0.2 1,-0.1 -283,-0.1 -0.871 360.0 360.0-127.3 107.7 34.7 -5.0 -3.8 315 333 A R 0 0 227 -284,-0.6 -283,-0.2 -2,-0.5 -282,-0.2 0.493 360.0 360.0-143.9 360.0 35.3 -2.0 -6.1