==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-FEB-06 2DEJ . COMPND 2 MOLECULE: PROBABLE GALACTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.INAGAKI,K.SAKAMOTO,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.5 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 1 0 0 0 1 1 1 1 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 3 0 2 0 0 0 1 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 2 0 0 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 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 0 133 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 138.2 14.4 16.4 37.4 2 2 A I E -A 37 0A 42 35,-2.5 35,-2.2 2,-0.0 2,-0.4 -0.924 360.0-143.4-129.2 159.1 17.2 15.5 35.1 3 3 A K E -A 36 0A 129 -2,-0.3 2,-0.4 33,-0.2 33,-0.2 -0.989 14.2-171.9-123.0 130.5 20.8 16.6 34.6 4 4 A V E -A 35 0A 1 31,-2.8 31,-2.5 -2,-0.4 2,-0.5 -0.952 8.2-160.0-118.4 140.8 22.5 16.9 31.2 5 5 A K E -AB 34 346A 87 341,-3.1 341,-1.9 -2,-0.4 29,-0.2 -0.986 10.1-173.5-121.0 120.4 26.2 17.7 30.7 6 6 A S E -A 33 0A 0 27,-3.1 27,-2.9 -2,-0.5 105,-0.1 -0.954 15.3-141.6-119.1 117.4 27.0 19.0 27.2 7 7 A P E -A 32 0A 0 0, 0.0 25,-0.2 0, 0.0 23,-0.1 -0.198 5.7-130.0 -74.4 161.2 30.7 19.4 26.4 8 8 A G E -A 29 0A 0 23,-2.2 21,-2.1 21,-0.6 2,-0.3 -0.233 29.6-129.4 -83.1-166.6 32.4 22.2 24.4 9 9 A R E -A 28 0A 11 93,-2.3 2,-0.4 19,-0.3 19,-0.2 -0.991 17.1-160.2-147.2 152.0 34.8 21.4 21.6 10 10 A V E -A 27 0A 0 17,-2.0 17,-2.4 -2,-0.3 2,-0.6 -0.983 22.1-135.4-125.0 146.8 38.2 22.0 20.1 11 11 A N E -A 26 0A 0 -2,-0.4 3,-0.1 15,-0.2 288,-0.1 -0.901 11.5-165.6 -97.8 125.0 39.1 21.3 16.5 12 12 A L E S- 0 0 0 13,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.932 70.5 -23.6 -72.6 -49.1 42.5 19.6 16.2 13 13 A I E S+A 25 0A 0 12,-0.5 12,-1.8 1,-0.1 -1,-0.3 -0.957 101.7 79.0-161.0 158.4 43.0 20.2 12.5 14 14 A G > + 0 0 1 -2,-0.3 3,-0.5 10,-0.2 2,-0.4 0.868 56.3 176.5 95.3 55.2 40.6 20.9 9.6 15 15 A E T 3 + 0 0 7 1,-0.2 -1,-0.2 2,-0.1 224,-0.1 -0.786 63.5 5.0 -99.3 136.1 39.9 24.6 10.0 16 16 A H T 3 S+ 0 0 7 -2,-0.4 -1,-0.2 1,-0.1 223,-0.1 0.835 104.5 100.5 60.7 36.4 37.7 26.5 7.6 17 17 A T X > + 0 0 0 -3,-0.5 5,-2.3 222,-0.1 3,-1.4 0.579 56.0 76.6-116.6 -23.9 37.0 23.3 5.6 18 18 A D G > 5S+ 0 0 14 -4,-0.3 3,-1.6 1,-0.3 129,-0.1 0.846 89.1 57.0 -66.4 -31.7 33.5 22.4 6.8 19 19 A Y G 3 5S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.533 110.0 45.8 -80.9 -4.2 31.6 24.9 4.7 20 20 A T G < 5S- 0 0 0 -3,-1.4 194,-2.6 216,-0.0 195,-0.4 0.065 122.5-107.8-111.6 19.5 33.2 23.5 1.6 21 21 A Y T < 5S+ 0 0 110 -3,-1.6 194,-0.4 192,-0.2 146,-0.4 0.888 72.4 140.9 60.7 42.7 32.5 20.0 2.7 22 22 A G < - 0 0 0 -5,-2.3 144,-2.3 144,-0.2 2,-0.3 -0.046 55.3 -64.8 -94.2-159.8 36.1 19.1 3.5 23 23 A Y E +G 165 0B 44 142,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.729 47.5 179.3 -97.0 143.7 37.7 17.1 6.3 24 24 A V E -G 164 0B 0 140,-2.3 140,-2.7 -2,-0.3 -10,-0.2 -0.943 17.6-160.3-136.7 161.4 37.7 18.1 10.0 25 25 A M E +A 13 0A 0 -12,-1.8 -13,-2.2 -2,-0.3 -12,-0.5 -0.512 27.6 157.3-144.8 72.5 39.0 16.6 13.2 26 26 A P E -A 11 0A 0 0, 0.0 136,-2.8 0, 0.0 2,-0.3 -0.338 21.8-157.1 -88.4 171.3 37.4 17.9 16.4 27 27 A M E -A 10 0A 0 -17,-2.4 -17,-2.0 134,-0.2 2,-0.2 -0.983 23.2-117.2-139.8 151.2 37.0 16.4 19.9 28 28 A A E -AC 9 342A 0 314,-0.6 314,-2.5 -2,-0.3 2,-0.3 -0.615 37.8-145.8 -76.6 148.9 34.6 17.1 22.6 29 29 A I E -AC 8 341A 0 -21,-2.1 2,-1.5 2,-0.3 -21,-0.6 -0.833 21.6-106.4-120.2 160.4 36.4 18.6 25.7 30 30 A N E S+ 0 0 50 310,-0.9 2,-0.4 -2,-0.3 -21,-0.1 -0.292 88.1 98.3 -85.5 51.9 35.9 18.2 29.4 31 31 A L E - 0 0 14 -2,-1.5 -23,-2.2 -23,-0.1 2,-0.3 -0.982 62.2-163.8-130.9 137.2 34.4 21.7 29.9 32 32 A Y E -A 7 0A 38 -2,-0.4 64,-2.1 -25,-0.2 2,-0.5 -0.863 37.6-139.0-134.1 150.4 30.6 21.7 30.0 33 33 A T E -A 6 0A 13 -27,-2.9 -27,-3.1 -2,-0.3 2,-0.4 -0.946 36.7-156.6 -93.5 129.1 27.3 23.4 29.9 34 34 A K E -AD 5 93A 60 59,-2.5 59,-2.9 -2,-0.5 2,-0.4 -0.921 10.8-172.1-110.0 134.0 25.2 21.8 32.6 35 35 A I E -AD 4 92A 2 -31,-2.5 -31,-2.8 -2,-0.4 2,-0.5 -0.993 6.9-177.4-127.6 126.9 21.4 21.8 32.5 36 36 A E E +AD 3 91A 70 55,-2.3 55,-2.7 -2,-0.4 2,-0.3 -0.992 28.9 146.2-123.4 118.3 19.2 20.6 35.4 37 37 A A E -AD 2 90A 0 -35,-2.2 -35,-2.5 -2,-0.5 2,-0.3 -0.976 33.1-159.0-153.7 161.7 15.5 20.7 34.5 38 38 A E E - D 0 89A 75 51,-2.1 51,-2.6 -2,-0.3 81,-0.0 -0.875 44.7 -75.5-135.6 167.9 12.0 19.4 34.8 39 39 A K E + D 0 88A 122 -2,-0.3 49,-0.3 49,-0.2 2,-0.3 -0.317 53.9 167.6 -64.3 149.3 8.8 19.6 32.8 40 40 A H E - D 0 87A 67 47,-1.3 47,-1.2 2,-0.1 49,-0.0 -0.968 47.4-112.5-156.0 162.7 6.9 22.8 33.0 41 41 A G S S+ 0 0 64 -2,-0.3 17,-0.5 45,-0.1 2,-0.2 0.747 103.0 17.9 -73.8 -25.3 4.0 24.6 31.2 42 42 A E S S- 0 0 64 15,-0.1 46,-0.7 16,-0.1 2,-0.6 -0.653 94.2 -90.1-128.1-169.0 6.3 27.3 29.9 43 43 A V E +Ef 56 88A 0 13,-2.7 13,-2.2 44,-0.2 2,-0.4 -0.943 45.2 167.7-112.7 115.7 10.1 27.7 29.5 44 44 A I E +Ef 55 89A 17 44,-2.5 46,-2.4 -2,-0.6 2,-0.4 -0.982 5.3 173.0-131.5 116.0 11.9 29.2 32.5 45 45 A L E -Ef 54 90A 0 9,-2.5 9,-2.4 -2,-0.4 2,-0.6 -0.989 21.6-153.5-131.8 129.4 15.7 29.0 32.7 46 46 A Y E -Ef 53 91A 85 44,-2.4 46,-3.3 -2,-0.4 2,-0.7 -0.898 14.8-152.9 -96.8 122.1 18.1 30.6 35.2 47 47 A S E >> -Ef 52 92A 8 5,-2.8 4,-1.5 -2,-0.6 5,-1.5 -0.870 7.0-163.3 -94.3 114.0 21.5 31.2 33.6 48 48 A E T 45S+ 0 0 92 44,-3.0 -1,-0.2 -2,-0.7 45,-0.2 0.872 90.3 56.8 -59.4 -38.9 24.3 31.1 36.2 49 49 A H T 45S+ 0 0 107 43,-0.4 -1,-0.2 1,-0.2 44,-0.1 0.955 117.4 31.4 -59.5 -51.7 26.6 32.9 33.8 50 50 A F T 45S- 0 0 91 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.606 102.1-132.2 -80.5 -13.9 24.4 35.9 33.2 51 51 A G T <5 + 0 0 43 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.897 69.3 100.0 60.7 43.7 22.9 35.7 36.8 52 52 A E E < -E 47 0A 61 -5,-1.5 -5,-2.8 2,-0.0 2,-0.4 -0.998 68.3-122.5-156.8 153.2 19.4 36.0 35.5 53 53 A E E -E 46 0A 110 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.2 -0.807 24.7-176.5 -94.3 137.2 16.2 34.2 34.6 54 54 A R E +E 45 0A 82 -9,-2.4 -9,-2.5 -2,-0.4 2,-0.3 -0.983 9.2 176.2-129.1 146.7 14.7 34.4 31.2 55 55 A K E -E 44 0A 96 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.956 12.3-176.3-144.7 159.0 11.4 32.8 30.2 56 56 A F E -E 43 0A 5 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.2 -0.980 30.7-111.2-152.2 150.5 8.9 32.4 27.4 57 57 A S > - 0 0 48 -2,-0.3 3,-2.1 -15,-0.2 -15,-0.1 -0.518 35.0-117.2 -65.7 148.3 5.6 30.9 26.7 58 58 A L T 3 S+ 0 0 50 -17,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.766 118.3 62.4 -54.5 -25.8 5.7 27.9 24.3 59 59 A N T 3 S+ 0 0 151 1,-0.2 2,-0.8 2,-0.0 -1,-0.3 0.681 93.4 74.3 -67.7 -16.1 3.5 30.1 22.1 60 60 A D < + 0 0 26 -3,-2.1 -1,-0.2 1,-0.1 12,-0.0 -0.726 38.6 146.7-118.8 83.9 6.3 32.6 21.9 61 61 A L + 0 0 26 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.1 -0.017 33.2 139.1-102.4 29.7 9.3 31.8 19.7 62 62 A R - 0 0 177 1,-0.1 2,-0.2 2,-0.0 10,-0.1 -0.532 62.4-106.6 -72.3 136.9 9.9 35.4 18.8 63 63 A K - 0 0 98 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.445 35.5-179.9 -63.4 133.1 13.6 36.4 18.6 64 64 A E - 0 0 77 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.405 41.4-119.9-114.2 -2.7 14.4 38.6 21.6 65 65 A N S S+ 0 0 138 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.931 79.2 96.1 56.6 50.6 18.1 39.2 20.8 66 66 A S S > S- 0 0 24 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.903 96.1 -80.1-148.9 177.9 19.4 37.6 24.0 67 67 A W T >> S+ 0 0 18 1,-0.3 3,-1.6 -2,-0.3 4,-0.6 0.722 118.7 74.4 -56.0 -26.0 20.8 34.2 25.1 68 68 A I H >> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.753 80.6 74.3 -60.9 -23.1 17.2 32.9 25.4 69 69 A D H <> S+ 0 0 8 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.813 87.8 59.2 -60.1 -30.7 17.2 32.8 21.6 70 70 A Y H <> S+ 0 0 65 -3,-1.6 4,-0.9 -4,-0.3 -1,-0.2 0.878 109.6 43.5 -66.1 -35.0 19.4 29.7 21.7 71 71 A V H XX S+ 0 0 0 -4,-0.6 4,-1.8 -3,-0.6 3,-0.7 0.940 112.3 51.4 -71.3 -50.5 16.7 28.0 23.7 72 72 A K H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.874 103.8 60.6 -53.0 -39.7 13.9 29.3 21.5 73 73 A G H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.863 104.0 48.5 -61.3 -35.5 15.7 28.0 18.4 74 74 A I H S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 3,-0.5 0.937 111.6 47.4 -67.9 -43.6 11.5 20.7 17.0 79 79 A K H ><5S+ 0 0 105 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.917 110.3 53.1 -61.3 -42.9 8.2 22.3 16.1 80 80 A E H 3<5S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 108.6 50.6 -63.9 -23.5 9.3 22.6 12.5 81 81 A S T 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.214 121.6-107.1 -99.3 11.2 10.2 18.9 12.5 82 82 A D T < 5 + 0 0 146 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.672 69.1 144.9 71.9 23.0 6.7 17.9 13.9 83 83 A Y < - 0 0 72 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.632 42.0-143.4 -84.1 147.8 7.7 17.1 17.5 84 84 A E + 0 0 165 -2,-0.3 2,-0.3 36,-0.1 -5,-0.0 -0.976 32.6 159.0-109.2 117.2 5.4 17.8 20.3 85 85 A V - 0 0 22 -2,-0.6 2,-0.1 -10,-0.1 32,-0.0 -0.974 25.1-146.1-131.8 154.9 7.3 18.9 23.4 86 86 A G - 0 0 17 -2,-0.3 -45,-0.1 1,-0.2 -44,-0.1 -0.262 36.6 -66.9-103.5-168.0 6.2 20.9 26.4 87 87 A G E -D 40 0A 1 -47,-1.2 -47,-1.3 -2,-0.1 2,-0.3 -0.106 38.2-148.9 -78.5 176.8 8.0 23.4 28.5 88 88 A I E -Df 39 43A 0 -46,-0.7 -44,-2.5 -49,-0.3 2,-0.4 -0.985 4.7-158.5-142.5 150.7 10.9 23.1 30.9 89 89 A K E +Df 38 44A 98 -51,-2.6 -51,-2.1 -2,-0.3 2,-0.3 -0.998 41.3 105.4-127.5 128.9 12.0 24.8 34.1 90 90 A G E -Df 37 45A 15 -46,-2.4 -44,-2.4 -2,-0.4 2,-0.4 -0.968 57.2 -79.1-175.8-165.3 15.6 24.6 35.2 91 91 A R E -Df 36 46A 102 -55,-2.7 -55,-2.3 -2,-0.3 2,-0.5 -0.954 22.6-154.7-128.2 133.1 19.1 25.9 35.7 92 92 A V E +Df 35 47A 12 -46,-3.3 -44,-3.0 -2,-0.4 -43,-0.4 -0.950 36.7 130.9-111.4 121.9 22.0 26.4 33.2 93 93 A S E +D 34 0A 43 -59,-2.9 -59,-2.5 -2,-0.5 3,-0.2 -0.531 9.4 125.7-143.9-151.8 25.5 26.3 34.6 94 94 A G - 0 0 40 -61,-0.3 -61,-0.2 -2,-0.2 -2,-0.0 -0.387 61.5 -87.4 110.6 171.1 28.9 24.7 34.0 95 95 A N S S+ 0 0 80 -63,-0.3 -62,-0.2 -2,-0.1 -1,-0.1 0.331 76.0 119.3-107.4 7.0 32.5 25.6 33.4 96 96 A L - 0 0 9 -64,-2.1 2,-0.1 -3,-0.2 -65,-0.0 -0.605 68.8-121.1 -73.2 119.1 32.6 26.1 29.6 97 97 A P > - 0 0 9 0, 0.0 3,-0.8 0, 0.0 2,-0.4 -0.405 26.6-115.7 -65.7 142.2 33.7 29.8 29.1 98 98 A L T 3 S- 0 0 51 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.607 88.0 -3.5 -83.6 130.1 31.2 31.8 27.1 99 99 A G T 3 S+ 0 0 25 -2,-0.4 -1,-0.2 91,-0.1 205,-0.2 0.691 89.8 126.1 68.3 21.3 32.2 33.2 23.7 100 100 A A S < S- 0 0 0 -3,-0.8 205,-0.2 90,-0.2 87,-0.2 0.445 86.7-102.0 -88.3 -3.3 35.8 31.8 24.0 101 101 A G S S+ 0 0 30 203,-0.2 204,-0.1 -4,-0.1 -3,-0.1 0.676 96.5 111.4 87.7 16.3 35.6 30.0 20.7 102 102 A L S S- 0 0 0 -5,-0.3 -93,-2.3 -92,-0.1 -73,-0.1 0.117 98.1 -93.3-105.9 16.7 35.1 26.5 22.4 103 103 A S > + 0 0 7 -95,-0.2 4,-2.6 3,-0.1 5,-0.2 0.921 57.7 167.8 71.0 53.9 31.5 26.4 21.0 104 104 A S H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 80.1 54.4 -51.3 -44.2 29.3 27.8 23.8 105 105 A S H > S+ 0 0 24 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.950 111.8 39.0 -60.1 -56.4 26.5 27.9 21.2 106 106 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.913 116.0 53.1 -66.1 -42.4 26.6 24.3 20.1 107 107 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.946 115.4 40.1 -54.7 -49.4 27.2 23.1 23.7 108 108 A F H X S+ 0 0 24 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.940 117.1 47.9 -66.1 -48.1 24.2 25.0 25.0 109 109 A E H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.921 115.0 44.9 -62.3 -46.3 21.9 24.2 22.0 110 110 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.883 111.5 54.8 -65.4 -37.8 22.7 20.5 22.1 111 111 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.4 -2,-0.2 0.912 110.2 45.0 -62.0 -46.3 22.3 20.5 25.9 112 112 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.925 113.3 50.9 -60.8 -44.9 18.8 22.0 25.6 113 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 110.9 48.5 -59.0 -42.5 17.9 19.5 22.8 114 114 A E H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.855 108.7 54.1 -68.8 -34.5 19.2 16.6 25.0 115 115 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.928 112.9 42.5 -62.7 -45.9 17.2 17.9 28.0 116 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.899 110.9 56.7 -68.3 -38.7 14.0 17.9 25.9 117 117 A D H X>S+ 0 0 6 -4,-2.5 5,-1.9 -5,-0.2 6,-0.6 0.926 114.8 38.1 -57.7 -45.7 14.9 14.5 24.3 118 118 A K H <5S+ 0 0 69 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.931 118.2 46.5 -75.3 -46.7 15.1 12.9 27.8 119 119 A L H <5S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.894 123.4 34.2 -62.3 -40.0 12.2 14.7 29.4 120 120 A Y H <5S- 0 0 50 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.333 105.5-123.0-103.3 5.6 9.8 14.1 26.5 121 121 A N T <5 + 0 0 112 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.899 51.9 157.9 58.1 46.7 11.2 10.7 25.5 122 122 A L < - 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