==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-08 2ZKM . COMPND 2 MOLECULE: 1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.N.HICKS,M.R.JEZYK,S.GERSHBERG,J.P.SEIFERT,T.K.HARDEN, . 708 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 45 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 1 2 2 3 4 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 1 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 PARALLEL BRIDGES PER LADDER . 4 4 1 2 3 2 1 2 1 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 0 0 1 2 0 1 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 11 X P 0 0 93 0, 0.0 125,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.4 31.2 -9.5 53.4 2 12 X K - 0 0 205 1,-0.1 2,-0.5 32,-0.0 31,-0.1 -0.196 360.0-117.0 -61.9 139.9 28.5 -11.7 51.8 3 13 X V - 0 0 26 29,-0.6 -1,-0.1 1,-0.1 5,-0.1 -0.673 34.5-118.6 -76.0 121.3 25.0 -11.9 53.2 4 14 X K >> - 0 0 109 -2,-0.5 3,-1.2 1,-0.1 4,-1.0 -0.334 20.7-118.9 -61.6 142.6 24.3 -15.4 54.3 5 15 X A H 3> S+ 0 0 64 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.814 109.5 59.9 -55.8 -38.5 21.4 -17.1 52.5 6 16 X Y H 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.800 100.8 56.6 -63.0 -29.8 19.3 -17.6 55.6 7 17 X L H <4 S+ 0 0 4 -3,-1.2 23,-1.7 2,-0.2 -1,-0.2 0.888 112.0 40.6 -68.3 -40.2 19.2 -13.8 56.3 8 18 X S H < S+ 0 0 28 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.794 113.3 54.4 -78.8 -30.5 17.8 -13.1 52.8 9 19 X Q H < S- 0 0 141 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.886 108.3-144.4 -67.7 -40.9 15.4 -16.1 53.1 10 20 X G < - 0 0 20 -4,-2.2 2,-0.3 -5,-0.2 19,-0.2 -0.088 12.6-118.0 101.2 165.0 14.1 -14.7 56.4 11 21 X E E -A 28 0A 32 17,-1.5 17,-2.8 -4,-0.2 2,-0.4 -0.983 26.6-107.6-144.0 149.7 12.8 -15.8 59.8 12 22 X R E +A 27 0A 173 -2,-0.3 96,-1.4 15,-0.2 97,-0.4 -0.663 45.5 158.5 -84.5 129.1 9.5 -15.5 61.6 13 23 X F E -AB 26 107A 0 13,-2.8 13,-3.2 -2,-0.4 2,-0.5 -0.912 40.3-125.9-137.4 164.1 9.4 -13.1 64.6 14 24 X I E -AB 25 106A 32 92,-2.3 92,-1.9 -2,-0.3 2,-0.4 -0.985 27.4-151.7-109.2 118.1 6.9 -11.1 66.6 15 25 X K E -AB 24 105A 30 9,-3.0 9,-2.9 -2,-0.5 2,-0.3 -0.780 19.1-173.3 -90.4 132.1 7.9 -7.4 66.7 16 26 X W E -AB 23 104A 7 88,-1.8 88,-0.6 -2,-0.4 2,-0.4 -0.919 18.9-161.4-131.7 153.3 6.8 -5.6 69.8 17 27 X D > - 0 0 59 5,-1.3 4,-1.5 -2,-0.3 5,-0.4 -0.999 11.0-154.9-134.3 127.6 6.7 -2.0 71.2 18 28 X D T 4 S+ 0 0 49 -2,-0.4 -1,-0.1 1,-0.2 53,-0.1 0.860 94.7 55.4 -68.2 -37.9 6.2 -1.1 74.9 19 29 X E T 4 S+ 0 0 185 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.748 122.8 26.3 -70.3 -26.0 4.8 2.4 74.2 20 30 X T T 4 S- 0 0 74 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.554 92.3-139.6-109.3 -14.6 2.0 1.0 72.0 21 31 X T < + 0 0 64 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.619 53.6 145.6 58.5 17.3 1.7 -2.5 73.5 22 32 X V - 0 0 76 -5,-0.4 -5,-1.3 2,-0.0 2,-0.5 -0.716 31.8-169.9 -88.3 128.0 1.3 -3.8 70.0 23 33 X A E -A 16 0A 35 -2,-0.4 -7,-0.2 -7,-0.2 -9,-0.0 -0.972 10.7-178.9-120.2 115.3 2.8 -7.2 69.1 24 34 X S E -A 15 0A 33 -9,-2.9 -9,-3.0 -2,-0.5 2,-0.1 -0.950 27.5-121.5-123.2 129.4 2.8 -8.0 65.4 25 35 X P E +A 14 0A 34 0, 0.0 17,-0.7 0, 0.0 2,-0.3 -0.447 41.5 171.2 -63.5 135.2 4.1 -11.1 63.5 26 36 X V E -AC 13 41A 5 -13,-3.2 -13,-2.8 15,-0.2 2,-0.5 -0.954 37.5-129.3-140.1 158.0 6.8 -10.3 60.9 27 37 X I E -AC 12 40A 63 13,-1.7 13,-2.0 -2,-0.3 2,-0.4 -0.979 31.7-150.3-104.6 122.2 9.2 -12.0 58.6 28 38 X L E +AC 11 39A 1 -17,-2.8 -17,-1.5 -2,-0.5 2,-0.3 -0.799 23.6 166.6 -97.2 133.9 12.7 -10.4 59.2 29 39 X R E - C 0 38A 62 9,-2.9 9,-3.1 -2,-0.4 2,-0.4 -0.957 33.9-146.3-141.7 156.2 15.2 -10.3 56.3 30 40 X V E - C 0 37A 0 -23,-1.7 7,-0.2 -2,-0.3 -20,-0.1 -0.997 39.0-117.0-115.1 130.9 18.4 -8.7 55.1 31 41 X D > - 0 0 4 5,-1.7 3,-2.2 -2,-0.4 -23,-0.1 -0.292 29.5-105.7 -64.3 153.6 18.5 -8.1 51.4 32 42 X P T 3 S+ 0 0 100 0, 0.0 -29,-0.6 0, 0.0 -1,-0.1 0.697 120.9 52.2 -57.2 -22.1 21.1 -10.0 49.4 33 43 X K T 3 S- 0 0 111 -31,-0.1 -2,-0.1 3,-0.1 107,-0.0 0.569 109.9-123.0 -89.0 -11.6 23.3 -6.9 49.0 34 44 X G S < S+ 0 0 6 -3,-2.2 3,-0.1 2,-0.2 17,-0.1 0.783 74.2 123.1 77.1 29.8 23.3 -6.2 52.7 35 45 X Y + 0 0 30 1,-0.2 16,-2.6 16,-0.1 17,-0.4 0.839 69.3 28.3 -86.5 -37.6 21.8 -2.7 52.5 36 46 X Y E - D 0 50A 7 14,-0.3 -5,-1.7 15,-0.1 2,-0.6 -0.974 52.3-150.1-134.6 137.9 18.7 -3.1 54.7 37 47 X L E +CD 30 49A 1 12,-2.8 12,-2.3 -2,-0.4 2,-0.3 -0.937 42.7 174.5 -90.0 124.3 17.4 -5.0 57.6 38 48 X Y E -CD 29 48A 23 -9,-3.1 -9,-2.9 -2,-0.6 2,-0.4 -0.982 24.6-153.6-139.5 150.4 13.7 -5.1 56.8 39 49 X W E -CD 28 47A 7 8,-2.1 8,-2.0 -2,-0.3 2,-0.5 -0.962 6.9-151.2-125.6 142.9 10.5 -6.7 58.1 40 50 X T E -CD 27 46A 28 -13,-2.0 -13,-1.7 -2,-0.4 6,-0.2 -0.954 12.4-146.1-116.9 124.4 7.3 -7.6 56.4 41 51 X Y E > -C 26 0A 44 4,-2.9 3,-1.8 -2,-0.5 -15,-0.2 -0.339 30.8-104.8 -81.5 166.5 3.9 -7.6 58.2 42 52 X Q T 3 S+ 0 0 149 -17,-0.7 -1,-0.1 1,-0.3 -16,-0.1 0.817 121.9 59.8 -62.0 -32.1 1.0 -10.0 57.5 43 53 X S T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.255 121.9-109.5 -81.0 11.9 -0.9 -7.2 55.7 44 54 X K S < S+ 0 0 168 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.196 73.6 137.2 83.6 -12.7 2.2 -7.0 53.3 45 55 X E - 0 0 103 -5,-0.1 -4,-2.9 1,-0.0 2,-0.3 -0.309 38.2-152.4 -64.9 148.5 3.5 -3.6 54.6 46 56 X M E -D 40 0A 57 -6,-0.2 2,-0.4 103,-0.1 -6,-0.2 -0.924 12.2-161.1-124.6 148.5 7.3 -3.3 55.0 47 57 X E E -D 39 0A 90 -8,-2.0 -8,-2.1 -2,-0.3 2,-0.4 -0.986 16.1-151.9-125.6 142.2 9.5 -1.3 57.3 48 58 X F E -D 38 0A 32 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.877 12.6-171.6-119.3 144.5 13.2 -0.7 56.5 49 59 X L E -D 37 0A 17 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.1 -0.983 30.1-120.3-133.5 123.1 16.3 -0.1 58.5 50 60 X D E > -D 36 0A 38 -2,-0.4 3,-1.5 -14,-0.2 4,-0.4 -0.393 13.5-139.4 -58.5 129.6 19.7 0.8 57.0 51 61 X I G > S+ 0 0 1 -16,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.894 106.2 58.6 -53.8 -39.9 22.3 -1.7 57.9 52 62 X T G 3 S+ 0 0 22 -17,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.633 98.2 60.4 -67.1 -14.4 24.7 1.3 58.3 53 63 X S G < S+ 0 0 39 -3,-1.5 41,-2.0 644,-0.1 2,-0.3 0.529 80.9 106.4 -87.9 -9.9 22.3 2.7 61.0 54 64 X I E < +E 93 0A 5 -3,-1.6 39,-0.3 -4,-0.4 3,-0.1 -0.554 39.6 175.3 -79.0 133.7 22.7 -0.3 63.3 55 65 X R E - 0 0 15 37,-3.5 2,-0.3 1,-0.4 38,-0.2 0.668 63.5 -10.1-108.1 -27.8 24.8 0.2 66.4 56 66 X D E -E 92 0A 0 36,-1.6 36,-2.9 2,-0.0 -1,-0.4 -0.980 49.8-145.3-164.6 160.9 24.4 -3.1 68.2 57 67 X T E -E 91 0A 3 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.984 19.1-167.6-133.7 145.9 22.5 -6.4 68.2 58 68 X R E -E 90 0A 10 32,-2.7 32,-2.8 -2,-0.3 2,-0.3 -0.996 3.3-167.7-141.2 139.6 21.5 -8.3 71.4 59 69 X F E > -E 89 0A 48 -2,-0.4 3,-1.6 30,-0.2 30,-0.2 -0.912 51.9 -16.9-126.8 150.7 20.2 -11.8 72.1 60 70 X G G > S+ 0 0 5 28,-1.8 3,-1.6 -2,-0.3 26,-0.1 -0.326 129.3 5.0 66.6-130.5 18.7 -13.5 75.1 61 71 X K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 24,-0.1 4,-0.1 0.678 130.9 59.0 -64.1 -18.2 19.2 -11.9 78.5 62 72 X F G < S+ 0 0 91 -3,-1.6 -1,-0.3 26,-0.1 -2,-0.2 0.573 88.1 93.8 -88.7 -12.1 20.9 -8.9 76.9 63 73 X A S < S- 0 0 8 -3,-1.6 2,-0.1 1,-0.1 -4,-0.1 -0.288 91.3 -85.3 -73.8 163.9 17.9 -8.1 74.7 64 74 X K - 0 0 90 -6,-0.2 -1,-0.1 39,-0.1 25,-0.1 -0.473 44.4-138.2 -67.5 142.5 15.2 -5.6 75.8 65 75 X M - 0 0 62 -2,-0.1 2,-0.2 -3,-0.1 7,-0.1 -0.884 17.9-110.0-108.8 135.0 12.4 -7.0 78.0 66 76 X P - 0 0 3 0, 0.0 11,-0.0 0, 0.0 -49,-0.0 -0.460 32.4-177.3 -60.6 125.4 8.7 -6.3 77.7 67 77 X K + 0 0 181 -2,-0.2 2,-0.1 4,-0.0 -49,-0.0 0.751 51.9 89.5 -98.7 -32.0 7.7 -4.2 80.7 68 78 X S S > S- 0 0 25 1,-0.1 4,-1.8 4,-0.0 3,-0.3 -0.405 75.7-132.3 -69.9 144.2 3.9 -3.8 80.1 69 79 X Q H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.828 105.4 63.2 -63.9 -33.5 1.6 -6.4 81.6 70 80 X K H > S+ 0 0 151 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.902 109.6 37.7 -56.4 -46.2 -0.2 -6.7 78.2 71 81 X L H > S+ 0 0 1 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.789 109.7 60.8 -80.6 -30.4 3.0 -7.9 76.5 72 82 X R H <>S+ 0 0 81 -4,-1.8 5,-2.5 1,-0.2 6,-0.4 0.835 105.3 49.9 -63.6 -34.4 4.2 -10.1 79.4 73 83 X D H ><5S+ 0 0 95 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.881 108.4 52.3 -69.8 -41.6 0.9 -12.1 79.1 74 84 X V H 3<5S+ 0 0 83 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.4 40.3 -61.6 -41.2 1.4 -12.6 75.3 75 85 X F T 3<5S- 0 0 20 -4,-1.8 -1,-0.2 -9,-0.0 -2,-0.2 0.309 108.0-122.0 -95.6 8.3 4.9 -13.9 75.7 76 86 X N T < 5 + 0 0 113 -3,-0.8 3,-0.3 -4,-0.2 -3,-0.2 0.900 53.7 157.1 52.4 50.3 4.2 -16.1 78.8 77 87 X M < + 0 0 27 -5,-2.5 2,-0.5 1,-0.2 -4,-0.1 0.622 61.5 66.0 -82.0 -14.5 6.9 -14.3 80.9 78 88 X D S S+ 0 0 84 -6,-0.4 -1,-0.2 2,-0.1 -2,-0.1 -0.471 85.5 104.6-101.9 58.1 5.2 -15.2 84.2 79 89 X F S > S- 0 0 51 -2,-0.5 3,-0.8 -3,-0.3 2,-0.3 -0.985 72.8-109.6-140.8 148.6 5.9 -18.9 83.8 80 90 X P T 3 S- 0 0 99 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.608 99.6 -0.0 -76.8 132.9 8.2 -21.6 85.3 81 91 X D T 3 S+ 0 0 112 -2,-0.3 2,-0.1 1,-0.1 0, 0.0 0.835 88.7 168.5 53.8 40.6 10.9 -22.9 82.8 82 92 X N < - 0 0 66 -3,-0.8 3,-0.3 -5,-0.1 -1,-0.1 -0.406 38.1-136.2 -75.4 160.0 9.7 -20.7 80.0 83 93 X S > + 0 0 30 1,-0.2 3,-1.3 -2,-0.1 4,-0.1 0.040 66.2 119.3-106.7 25.2 11.8 -20.4 76.8 84 94 X F G >> S+ 0 0 10 1,-0.3 3,-1.8 -8,-0.2 4,-0.6 0.863 70.4 56.5 -60.7 -40.7 11.5 -16.7 76.4 85 95 X L G 34 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.3 -24,-0.1 0.579 101.3 58.6 -71.1 -10.6 15.2 -15.9 76.7 86 96 X L G <4 S+ 0 0 65 -3,-1.3 25,-2.4 1,-0.1 27,-0.4 0.398 110.4 44.4 -91.5 0.8 15.9 -18.3 73.8 87 97 X K T <4 S+ 0 0 53 -3,-1.8 20,-3.0 23,-0.2 2,-0.3 0.470 84.3 110.6-122.7 -8.3 13.7 -16.2 71.6 88 98 X T E < + F 0 106A 1 -4,-0.6 -28,-1.8 18,-0.2 2,-0.4 -0.576 33.6 170.5 -88.1 134.1 14.6 -12.6 72.3 89 99 X L E -EF 59 105A 5 16,-2.7 16,-3.3 -2,-0.3 2,-0.4 -0.997 8.7-172.4-139.5 132.2 16.4 -10.3 69.8 90 100 X T E -EF 58 104A 2 -32,-2.8 -32,-2.7 -2,-0.4 2,-0.5 -0.990 6.8-163.1-124.6 134.4 17.1 -6.6 69.9 91 101 X V E -EF 57 103A 3 12,-2.5 12,-3.0 -2,-0.4 2,-0.5 -0.981 12.4-155.5-113.4 123.6 18.5 -4.4 67.2 92 102 X V E +EF 56 102A 0 -36,-2.9 -37,-3.5 -2,-0.5 -36,-1.6 -0.882 19.0 171.4-103.2 128.4 19.8 -1.0 68.3 93 103 X S E +EF 54 101A 8 8,-2.5 8,-2.8 -2,-0.5 -39,-0.2 -0.895 8.3 128.9-130.8 160.7 20.0 1.8 65.8 94 104 X G - 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0 0 64 -4,-0.8 3,-1.8 -3,-0.3 4,-0.6 -0.425 69.7-129.0 -60.6 126.6 33.0 -4.7 58.9 127 137 X P T 34 S+ 0 0 30 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.689 105.9 52.0 -52.1 -21.5 35.4 -1.7 58.3 128 138 X L T >4 S+ 0 0 52 1,-0.1 3,-0.6 2,-0.1 4,-0.1 0.680 87.5 78.8 -91.5 -20.1 34.5 -1.8 54.6 129 139 X T G X4 S+ 0 0 31 -3,-1.8 3,-0.7 1,-0.3 -1,-0.1 0.888 101.2 39.4 -55.5 -45.8 30.7 -1.6 54.8 130 140 X A G 3< S+ 0 0 18 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.633 112.6 61.0 -77.5 -14.2 30.7 2.1 55.5 131 141 X N G < S+ 0 0 11 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.099 71.8 136.3-108.7 22.8 33.4 2.7 53.0 132 142 X A < - 0 0 25 -3,-0.7 558,-0.1 1,-0.1 -3,-0.0 -0.121 60.8 -88.0 -62.2 163.3 31.8 1.5 49.8 133 143 X S >> - 0 0 17 1,-0.1 4,-1.5 130,-0.0 3,-0.8 -0.233 37.3-103.9 -69.0 161.9 32.1 3.4 46.5 134 144 X R H 3> S+ 0 0 9 554,-0.3 4,-2.4 1,-0.2 5,-0.2 0.878 122.0 61.4 -50.4 -40.9 29.7 6.2 45.5 135 145 X S H 3> S+ 0 0 37 123,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.847 101.3 52.1 -57.2 -37.4 28.2 3.6 43.1 136 146 X T H <> S+ 0 0 43 -3,-0.8 4,-2.0 122,-0.3 -1,-0.2 0.897 109.2 48.2 -68.5 -41.4 27.2 1.4 46.0 137 147 X F H X S+ 0 0 8 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.897 111.8 50.2 -66.4 -37.5 25.5 4.2 47.9 138 148 X L H X S+ 0 0 14 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.863 109.8 51.5 -64.0 -35.9 23.6 5.2 44.6 139 149 X D H X S+ 0 0 21 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.834 101.3 60.9 -69.5 -34.3 22.6 1.5 44.3 140 150 X K H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.868 104.5 50.3 -57.6 -38.6 21.3 1.6 47.9 141 151 X I H X S+ 0 0 2 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.938 110.2 49.2 -63.6 -49.1 18.9 4.2 46.7 142 152 X L H X S+ 0 0 8 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.910 109.2 51.6 -57.8 -47.1 17.8 2.1 43.8 143 153 X V H X S+ 0 0 20 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.909 110.0 49.9 -58.8 -44.2 17.2 -1.0 45.9 144 154 X K H >X S+ 0 0 39 -4,-1.8 4,-2.0 1,-0.2 3,-0.6 0.940 110.7 49.3 -58.4 -49.3 15.0 1.1 48.3 145 155 X L H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.2 45.7 -58.2 -38.6 12.9 2.5 45.4 146 156 X K H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.627 115.4 45.1 -83.9 -15.4 12.4 -1.0 44.0 147 157 X M H << S+ 0 0 40 -4,-1.3 2,-1.5 -3,-0.6 -2,-0.2 0.719 95.1 75.7 -98.3 -27.1 11.5 -2.7 47.3 148 158 X Q S < S+ 0 0 74 -4,-2.0 2,-0.2 -5,-0.2 -1,-0.2 -0.618 73.2 163.6 -88.9 79.5 9.1 -0.1 48.7 149 159 X L - 0 0 71 -2,-1.5 6,-0.2 6,-0.1 -103,-0.1 -0.578 34.0-121.6-103.6 158.4 6.2 -1.0 46.5 150 160 X N > - 0 0 52 4,-2.7 3,-1.8 -2,-0.2 -1,-0.1 -0.118 49.5 -77.1 -82.1-172.8 2.4 -0.3 46.6 151 161 X S T 3 S+ 0 0 122 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.740 132.2 50.6 -58.3 -27.9 -0.5 -2.8 46.6 152 162 X E T 3 S- 0 0 136 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.344 120.1-106.2 -94.9 4.0 -0.1 -3.5 42.9 153 163 X G S < S+ 0 0 32 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.723 80.1 126.5 77.1 24.3 3.7 -4.2 43.1 154 164 X K - 0 0 69 35,-0.1 -4,-2.7 36,-0.1 -1,-0.3 -0.727 65.7-110.9-112.8 161.1 4.6 -0.8 41.5 155 165 X I E -G 188 0B 0 33,-3.4 33,-2.5 -2,-0.2 -6,-0.1 -0.819 34.1-130.9 -91.1 113.1 6.8 2.1 42.5 156 166 X P E >> -G 187 0B 28 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.401 8.9-133.3 -62.2 137.8 4.7 5.2 43.4 157 167 X V H >> S+ 0 0 0 29,-2.8 4,-1.4 1,-0.3 3,-1.3 0.860 106.8 66.0 -56.9 -35.0 6.0 8.3 41.6 158 168 X K H 3> S+ 0 0 86 26,-0.4 4,-1.9 28,-0.4 -1,-0.3 0.772 91.1 62.9 -58.2 -28.5 5.6 10.1 45.0 159 169 X N H <> S+ 0 0 29 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.809 100.2 52.6 -67.1 -30.2 8.4 7.8 46.3 160 170 X F H - 0 0 49 -3,-0.4 4,-1.6 1,-0.1 3,-0.3 -0.821 56.8-174.9-144.5 99.2 13.5 20.0 43.3 168 178 X R H > S+ 0 0 115 -2,-0.3 4,-2.9 -3,-0.3 5,-0.2 0.872 86.1 57.1 -61.4 -41.7 10.3 18.3 42.2 169 179 X K H > S+ 0 0 166 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 107.7 48.4 -59.6 -39.1 10.3 19.8 38.7 170 180 X R H > S+ 0 0 64 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.855 111.0 50.1 -70.7 -35.3 13.7 18.4 37.9 171 181 X V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.934 111.1 49.6 -65.9 -46.5 12.6 14.9 39.2 172 182 X E H X S+ 0 0 54 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 111.0 49.9 -55.5 -46.9 9.5 15.1 37.0 173 183 X A H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.858 109.6 50.8 -62.3 -37.0 11.7 16.0 34.0 174 184 X A H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.858 110.6 48.5 -71.4 -36.1 14.1 13.2 34.7 175 185 X L H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-1.2 0.947 112.5 48.8 -64.8 -48.0 11.2 10.7 34.8 176 186 X S H ><5S+ 0 0 62 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.858 105.6 58.0 -59.3 -37.1 9.8 12.1 31.6 177 187 X A H 3<5S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.708 107.0 48.8 -66.1 -20.2 13.3 11.8 30.0 178 188 X C T <<5S- 0 0 22 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.222 119.9-109.7-100.8 10.6 13.3 8.1 30.7 179 189 X H T < 5S+ 0 0 179 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.861 76.9 134.8 56.2 40.4 9.8 7.6 29.2 180 190 X L < - 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