==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-08 2VVS . COMPND 2 MOLECULE: O-GLCNACASE BT_4395; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR M.S.MACAULEY,A.BUBB,C.MARTINEZ-FLEITES,G.J.DAVIES, D.J.VOCAD . 580 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 1 1 3 1 2 0 2 0 0 1 0 0 1 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 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 . 0 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 5 A L 0 0 73 0, 0.0 94,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 125.5 -34.2 8.1 14.9 2 6 A Q + 0 0 12 2,-0.1 144,-0.1 1,-0.1 376,-0.1 -0.986 360.0 21.5-125.0 126.2 -31.5 5.4 14.2 3 7 A P S S- 0 0 2 0, 0.0 375,-0.1 0, 0.0 -1,-0.1 0.654 106.9-114.4 -66.9 164.2 -30.9 4.5 11.4 4 8 A P - 0 0 22 0, 0.0 381,-0.1 0, 0.0 -2,-0.1 -0.564 31.4-116.4 -73.1 132.0 -32.5 7.6 9.8 5 9 A P - 0 0 7 0, 0.0 107,-0.2 0, 0.0 3,-0.2 -0.246 14.3-124.3 -61.0 151.2 -35.7 6.7 7.8 6 10 A Q S S+ 0 0 45 1,-0.2 2,-0.4 105,-0.2 106,-0.2 0.872 97.8 17.8 -62.2 -39.8 -35.7 7.3 4.1 7 11 A Q E +A 111 0A 84 104,-1.9 104,-1.7 2,-0.0 2,-0.4 -0.997 68.0 168.4-142.1 134.6 -38.8 9.5 4.5 8 12 A L E -A 110 0A 67 -2,-0.4 2,-0.4 102,-0.2 102,-0.2 -0.989 11.9-173.2-147.4 126.1 -40.2 11.2 7.5 9 13 A I E -A 109 0A 80 100,-2.8 100,-2.5 -2,-0.4 2,-0.5 -0.994 16.1-162.6-118.9 120.9 -42.9 13.8 7.8 10 14 A V E -A 108 0A 81 -2,-0.4 98,-0.2 98,-0.2 2,-0.1 -0.911 3.7-157.3-107.8 119.7 -43.4 15.1 11.3 11 15 A Q E - 0 0 87 96,-3.1 96,-0.2 -2,-0.5 98,-0.0 -0.447 25.7-122.4 -77.9 165.8 -46.5 17.0 12.5 12 16 A N E S+ 0 0 164 -2,-0.1 -1,-0.1 94,-0.1 96,-0.0 0.772 84.2 94.6 -81.5 -28.1 -46.3 19.3 15.5 13 17 A K E - 0 0 94 93,-0.1 94,-3.2 94,-0.1 2,-0.3 -0.321 59.1-159.0 -60.4 140.8 -49.0 17.5 17.4 14 18 A T E -A 106 0A 93 92,-0.3 2,-0.3 -2,-0.0 -2,-0.1 -0.908 7.4-155.1-114.5 152.8 -48.1 14.7 19.9 15 19 A I E -A 105 0A 15 90,-4.0 90,-3.3 -2,-0.3 2,-0.2 -0.911 15.4-116.9-123.5 153.4 -50.5 12.0 21.0 16 20 A D E -A 104 0A 100 -2,-0.3 88,-0.2 88,-0.2 87,-0.1 -0.517 37.9-100.5 -77.3 154.9 -50.7 9.9 24.1 17 21 A L - 0 0 43 86,-2.3 2,-0.5 -2,-0.2 3,-0.1 -0.467 49.5-103.2 -59.7 147.9 -50.4 6.1 24.0 18 22 A P - 0 0 18 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.694 25.2-165.1 -82.9 129.8 -53.9 4.6 24.1 19 23 A A S S+ 0 0 104 -2,-0.5 2,-0.5 1,-0.3 -2,-0.0 0.858 93.0 38.1 -69.2 -38.9 -54.9 3.1 27.4 20 24 A V S S+ 0 0 104 -3,-0.1 24,-1.5 2,-0.0 2,-0.3 -0.968 85.6 165.1-115.6 113.3 -57.7 1.5 25.5 21 25 A Y E -b 44 0A 79 -2,-0.5 2,-0.6 22,-0.3 24,-0.2 -0.913 35.1-133.6-128.6 155.8 -56.7 0.3 22.0 22 26 A Q E -b 45 0A 109 22,-3.4 24,-3.0 -2,-0.3 2,-0.6 -0.941 20.4-152.1-106.6 115.3 -57.9 -2.0 19.1 23 27 A L E -b 46 0A 49 -2,-0.6 2,-0.6 22,-0.2 24,-0.2 -0.769 12.2-171.6 -86.1 119.7 -55.3 -4.3 17.7 24 28 A N E S+b 47 0A 62 22,-2.9 24,-3.1 -2,-0.6 -2,-0.0 -0.957 70.7 15.6-115.4 116.4 -55.9 -5.2 14.1 25 29 A G S >> S+ 0 0 8 -2,-0.6 4,-2.8 22,-0.2 3,-2.7 0.363 75.0 134.2 107.3 -1.1 -53.7 -7.8 12.6 26 30 A G T 34 S+ 0 0 24 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.822 80.2 43.4 -42.8 -40.3 -52.3 -9.3 15.8 27 31 A E T 34 S+ 0 0 202 1,-0.1 -1,-0.3 7,-0.0 -3,-0.0 0.373 121.1 40.7 -90.9 3.2 -53.0 -12.8 14.5 28 32 A E T <4 S+ 0 0 66 -3,-2.7 -2,-0.2 20,-0.2 -1,-0.1 0.645 96.1 82.9-120.7 -36.5 -51.7 -12.0 10.9 29 33 A A S < S- 0 0 6 -4,-2.8 5,-0.1 19,-0.2 57,-0.1 -0.290 99.7 -68.3 -73.9 159.4 -48.6 -9.9 11.4 30 34 A N >> - 0 0 1 1,-0.1 4,-2.0 56,-0.1 3,-0.9 -0.298 43.7-139.3 -42.3 118.8 -45.0 -11.1 12.1 31 35 A P H 3> S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.793 102.8 57.5 -59.1 -30.6 -45.2 -12.5 15.7 32 36 A H H 3> S+ 0 0 57 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.778 110.4 44.8 -69.4 -29.8 -41.7 -11.0 16.5 33 37 A A H <> S+ 0 0 0 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.825 114.2 48.5 -73.3 -39.6 -43.2 -7.6 15.6 34 38 A V H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.825 108.1 53.2 -75.7 -34.0 -46.5 -8.2 17.5 35 39 A K H X S+ 0 0 124 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.814 109.6 49.4 -69.0 -32.7 -44.6 -9.4 20.6 36 40 A V H X S+ 0 0 15 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.893 110.8 50.6 -66.5 -40.3 -42.6 -6.1 20.6 37 41 A L H X S+ 0 0 1 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.906 110.9 47.4 -64.2 -41.3 -45.9 -4.2 20.2 38 42 A K H < S+ 0 0 122 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.818 111.1 52.6 -70.5 -31.7 -47.4 -6.0 23.1 39 43 A E H < S+ 0 0 131 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 109.5 49.3 -61.0 -49.5 -44.2 -5.3 25.1 40 44 A L H < 0 0 43 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.671 360.0 360.0 -68.8 -19.6 -44.5 -1.6 24.2 41 45 A L < 0 0 58 -4,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.228 360.0 360.0-153.8 360.0 -48.2 -1.4 25.3 42 ! 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 43 54 A G 0 0 62 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-143.4 -60.4 2.0 21.8 44 55 A M E -b 21 0A 39 -24,-1.5 -22,-3.4 1,-0.0 2,-0.2 -0.767 360.0-109.4-100.8 142.5 -58.0 3.4 19.2 45 56 A L E -bc 22 78A 53 32,-1.1 34,-1.9 -2,-0.3 2,-0.4 -0.480 29.4-178.9 -76.1 127.8 -57.0 1.4 16.1 46 57 A I E -bc 23 79A 0 -24,-3.0 -22,-2.9 -2,-0.2 2,-0.5 -0.997 15.1-161.0-116.0 125.7 -53.5 0.1 15.8 47 58 A S E +bc 24 80A 2 32,-3.5 34,-3.5 -2,-0.4 2,-0.4 -0.947 12.6 178.1-113.1 127.0 -53.2 -1.7 12.5 48 59 A I E + c 0 81A 0 -24,-3.1 2,-0.3 -2,-0.5 34,-0.2 -0.994 20.1 90.4-134.9 133.9 -50.3 -4.1 12.1 49 60 A G E - c 0 82A 0 32,-2.1 34,-2.9 -2,-0.4 2,-0.3 -0.965 57.9 -80.1 170.1 179.9 -49.3 -6.4 9.2 50 61 A E E > - c 0 83A 12 -2,-0.3 3,-3.1 32,-0.2 6,-0.3 -0.796 60.1 -81.3-103.6 151.9 -47.5 -7.3 6.0 51 62 A K T 3 S+ 0 0 96 32,-2.3 3,-0.1 -2,-0.3 -1,-0.1 -0.302 124.3 33.2 -46.7 123.6 -48.5 -6.3 2.5 52 63 A G T 3 S+ 0 0 69 1,-0.5 -1,-0.3 2,-0.0 2,-0.1 0.003 91.2 118.9 108.5 -25.6 -51.1 -9.0 1.6 53 64 A D S X> S- 0 0 32 -3,-3.1 3,-0.7 1,-0.1 4,-0.5 -0.453 71.7-125.7 -69.8 146.0 -52.4 -9.3 5.1 54 65 A K G >4 S+ 0 0 136 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.849 104.4 61.8 -55.7 -39.7 -56.1 -8.3 5.5 55 66 A S G 34 S+ 0 0 8 1,-0.3 -1,-0.2 -7,-0.2 -6,-0.1 0.665 111.0 34.2 -71.8 -24.7 -55.3 -5.8 8.3 56 67 A V G X4 S+ 0 0 1 -3,-0.7 3,-2.9 -6,-0.3 4,-0.5 0.324 80.0 110.5-113.5 3.5 -53.1 -3.5 6.2 57 68 A R G X< S+ 0 0 156 -3,-0.8 3,-1.5 -4,-0.5 4,-0.3 0.872 73.4 64.1 -43.2 -45.3 -54.9 -3.8 2.8 58 69 A K G 3 S+ 0 0 162 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.696 111.1 39.1 -50.3 -19.2 -56.1 -0.2 3.2 59 70 A Y G X> S+ 0 0 16 -3,-2.9 3,-2.6 1,-0.1 4,-1.3 0.378 71.3 114.6-120.0 0.7 -52.4 0.8 3.0 60 71 A S T <4 S+ 0 0 48 -3,-1.5 -1,-0.1 -4,-0.5 -2,-0.1 0.774 79.2 58.3 -53.7 -25.7 -50.7 -1.3 0.4 61 72 A R T 34 S+ 0 0 228 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.774 106.0 49.9 -72.8 -22.4 -50.1 1.8 -1.7 62 73 A Q T <4 S+ 0 0 58 -3,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.805 87.4 93.1 -83.3 -32.9 -48.2 3.4 1.2 63 74 A I S < S- 0 0 7 -4,-1.3 8,-0.1 8,-0.1 20,-0.1 -0.508 85.2-116.9 -65.4 118.3 -45.9 0.4 1.9 64 75 A P - 0 0 18 0, 0.0 2,-1.8 0, 0.0 5,-0.2 -0.263 17.2-121.3 -59.5 140.6 -42.6 0.9 -0.1 65 76 A D S S+ 0 0 134 5,-0.0 2,-0.3 48,-0.0 48,-0.1 -0.469 78.7 101.0 -83.5 64.5 -41.8 -1.7 -2.7 66 77 A H S > S- 0 0 84 -2,-1.8 3,-1.6 46,-0.1 18,-0.2 -0.982 81.9-100.3-140.8 142.8 -38.4 -2.8 -1.2 67 78 A K T 3 S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.437 112.3 21.0 -65.3 143.3 -37.7 -5.9 0.9 68 79 A E T 3 S+ 0 0 3 1,-0.2 -1,-0.3 45,-0.1 2,-0.1 0.603 99.3 139.8 69.9 14.7 -37.5 -5.0 4.6 69 80 A G < - 0 0 0 -3,-1.6 15,-2.8 -5,-0.2 16,-0.6 -0.384 27.4-179.9 -85.9 162.6 -39.6 -1.8 3.9 70 81 A Y E -DE 83 112A 0 42,-2.7 42,-2.6 13,-0.3 2,-0.4 -0.996 26.2-142.1-158.8 158.4 -42.4 -0.3 5.9 71 82 A Y E -DE 82 111A 9 11,-2.5 11,-2.3 -2,-0.3 2,-0.4 -0.978 21.8-172.8-118.3 135.3 -44.9 2.4 6.3 72 83 A L E -DE 81 110A 0 38,-2.1 38,-2.7 -2,-0.4 2,-0.4 -1.000 3.3-179.3-132.2 129.6 -45.6 3.8 9.7 73 84 A S E -DE 80 109A 5 7,-2.0 7,-2.7 -2,-0.4 2,-0.4 -0.994 7.0-178.1-130.8 136.1 -48.3 6.3 10.6 74 85 A V E +DE 79 108A 2 34,-2.3 34,-0.9 -2,-0.4 2,-0.2 -0.979 25.6 127.8-131.9 121.6 -49.3 7.9 13.9 75 86 A N - 0 0 38 3,-1.6 -2,-0.0 -2,-0.4 30,-0.0 -0.864 67.8 -66.2-149.7-168.4 -52.3 10.3 14.3 76 87 A E S S+ 0 0 123 -2,-0.2 3,-0.1 1,-0.2 31,-0.0 0.831 124.5 27.9 -47.3 -44.6 -55.5 11.2 16.2 77 88 A K S S+ 0 0 133 1,-0.2 -32,-1.1 -33,-0.1 2,-0.3 0.731 121.8 1.8-105.0 -28.8 -57.4 8.1 15.1 78 89 A E E -c 45 0A 17 -34,-0.2 -3,-1.6 2,-0.0 2,-0.4 -0.984 49.2-133.7-157.6 163.2 -55.1 5.2 14.3 79 90 A I E -cD 46 74A 0 -34,-1.9 -32,-3.5 -2,-0.3 2,-0.5 -0.987 22.1-155.2-122.1 132.0 -51.5 3.9 14.3 80 91 A V E +cD 47 73A 0 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.4 -0.952 17.4 173.6-116.1 123.9 -50.3 2.0 11.2 81 92 A L E +cD 48 72A 0 -34,-3.5 -32,-2.1 -2,-0.5 2,-0.5 -0.905 21.3 158.3-126.7 97.9 -47.5 -0.5 11.4 82 93 A A E -cD 49 71A 0 -11,-2.3 -11,-2.5 -2,-0.4 2,-0.3 -0.971 19.4-166.2-135.0 114.0 -47.3 -2.1 8.0 83 94 A G E -cD 50 70A 0 -34,-2.9 -32,-2.3 -2,-0.5 -13,-0.3 -0.677 29.1-133.2-102.1 157.5 -44.3 -3.9 6.5 84 95 A N S S+ 0 0 32 -15,-2.8 2,-0.3 -2,-0.3 -14,-0.1 0.821 98.9 1.7 -71.4 -31.8 -43.6 -5.0 3.0 85 96 A D S >> S- 0 0 46 -16,-0.6 4,-1.4 -36,-0.1 3,-0.5 -0.848 94.5 -86.4-141.6 177.2 -42.6 -8.3 4.4 86 97 A E H 3> S+ 0 0 97 -2,-0.3 4,-1.3 1,-0.3 -53,-0.1 0.802 127.5 52.7 -59.4 -34.7 -42.4 -9.8 8.0 87 98 A R H 3> S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.828 105.8 55.0 -69.9 -33.1 -39.0 -8.3 8.6 88 99 A G H <> S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.795 104.4 53.1 -70.9 -30.5 -40.3 -4.9 7.6 89 100 A T H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.867 109.2 50.2 -67.8 -35.9 -43.1 -5.1 10.2 90 101 A Y H X S+ 0 0 10 -4,-1.3 4,-2.0 1,-0.2 3,-0.2 0.953 110.8 49.0 -65.7 -48.3 -40.4 -5.8 12.8 91 102 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.809 104.4 58.7 -58.9 -32.8 -38.4 -2.8 11.6 92 103 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.932 108.3 47.2 -63.9 -40.0 -41.6 -0.6 11.8 93 104 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.862 106.4 55.8 -71.4 -35.8 -41.7 -1.6 15.5 94 105 A Q H X S+ 0 0 17 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.937 112.8 43.1 -58.4 -46.8 -38.0 -0.8 16.0 95 106 A T H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.910 111.9 55.4 -62.4 -41.4 -38.7 2.7 14.7 96 107 A F H 3X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.806 101.8 55.7 -61.6 -35.5 -41.9 2.9 16.7 97 108 A A H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.745 106.8 51.0 -74.5 -21.5 -40.2 2.1 20.0 98 109 A Q H << S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.711 106.6 54.0 -82.2 -27.2 -37.8 5.1 19.4 99 110 A L H < S+ 0 0 20 -4,-1.1 2,-0.9 1,-0.1 -2,-0.2 0.869 92.6 83.8 -69.7 -36.4 -40.7 7.5 18.7 100 111 A L < + 0 0 26 -4,-1.4 2,-0.4 5,-0.1 5,-0.2 -0.583 53.2 154.2 -79.8 102.1 -42.4 6.6 22.0 101 112 A K + 0 0 138 3,-1.9 3,-0.3 -2,-0.9 -3,-0.0 -0.989 67.0 2.4-133.3 124.8 -40.9 8.6 24.8 102 113 A D S S- 0 0 154 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.647 125.7 -62.8 77.7 24.5 -42.9 9.5 28.0 103 114 A G S S+ 0 0 36 1,-0.3 -86,-2.3 -87,-0.1 2,-0.3 0.709 117.3 110.3 73.8 22.3 -46.0 7.5 27.1 104 115 A K E -A 16 0A 89 -3,-0.3 -3,-1.9 -88,-0.2 -1,-0.3 -0.966 50.1-165.0-135.5 143.1 -46.3 10.0 24.2 105 116 A L E -A 15 0A 0 -90,-3.3 -90,-4.0 -2,-0.3 2,-0.3 -0.933 20.6-125.8-123.5 147.4 -45.9 9.8 20.4 106 117 A P E -A 14 0A 31 0, 0.0 2,-0.6 0, 0.0 -92,-0.3 -0.658 35.3-101.9 -86.3 154.2 -45.5 12.5 17.9 107 118 A E E + 0 0 23 -94,-3.2 -96,-3.1 -2,-0.3 2,-0.3 -0.647 65.0 154.9 -71.9 116.7 -47.8 12.7 14.9 108 119 A V E -AE 10 74A 5 -34,-0.9 -34,-2.3 -2,-0.6 2,-0.4 -0.962 40.7-153.2-144.8 158.3 -45.7 11.3 12.1 109 120 A E E -AE 9 73A 53 -100,-2.5 -100,-2.8 -2,-0.3 2,-0.4 -0.995 21.7-177.2-134.7 132.0 -45.6 9.6 8.7 110 121 A I E -AE 8 72A 0 -38,-2.7 -38,-2.1 -2,-0.4 2,-0.5 -0.990 18.3-172.9-135.4 130.8 -42.6 7.4 7.7 111 122 A K E +AE 7 71A 62 -104,-1.7 -104,-1.9 -2,-0.4 2,-0.3 -0.993 30.3 167.4-117.5 124.1 -41.7 5.5 4.5 112 123 A D E + E 0 70A 0 -42,-2.6 -42,-2.7 -2,-0.5 -46,-0.1 -0.947 18.3 144.1-144.1 156.2 -38.6 3.4 5.1 113 124 A Y - 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0 0 83 -2,-0.3 2,-0.3 -12,-0.1 -85,-0.1 -0.155 43.7-177.5 -55.0 154.5 -8.3 10.9 13.8 428 439 A E + 0 0 3 -13,-0.1 -15,-0.2 -14,-0.1 -16,-0.1 -0.952 56.0 3.1-160.3 136.9 -8.0 11.3 17.6 429 440 A S S > S+ 0 0 0 -17,-2.0 4,-0.9 -2,-0.3 3,-0.5 0.826 70.4 156.4 59.8 36.1 -8.3 14.1 20.1 430 441 A M T 4 + 0 0 80 1,-0.2 3,-0.3 -18,-0.2 -1,-0.1 0.848 63.1 60.6 -62.8 -40.9 -9.4 16.6 17.3 431 442 A D T 4 S+ 0 0 85 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.840 113.7 35.0 -49.9 -42.0 -11.2 18.9 19.7 432 443 A I T > S+ 0 0 5 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.503 94.3 92.2-100.7 -9.3 -8.1 19.7 21.8 433 444 A Q H X S+ 0 0 49 -4,-0.9 4,-2.2 -3,-0.3 5,-0.3 0.880 81.0 54.1 -50.4 -52.2 -5.6 19.6 18.8 434 445 A P H > S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.943 113.4 43.4 -53.6 -49.5 -5.8 23.3 18.0 435 446 A A H 4 S+ 0 0 6 -4,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.871 109.3 59.6 -61.0 -40.1 -4.9 24.2 21.6 436 447 A A H >X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 3,-0.8 0.944 113.1 35.1 -52.7 -55.0 -2.2 21.4 21.7 437 448 A E H 3X S+ 0 0 126 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.772 110.9 61.6 -74.6 -24.4 -0.2 22.9 18.8 438 449 A R H 3< S+ 0 0 165 -4,-1.7 12,-0.5 -5,-0.3 -1,-0.2 0.442 113.3 40.8 -79.5 -8.3 -0.9 26.6 19.8 439 450 A F H <> S+ 0 0 0 -3,-0.8 4,-3.3 -4,-0.5 -2,-0.2 0.768 116.5 43.6 -98.6 -58.0 0.9 25.7 23.0 440 451 A L H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.788 112.2 50.9 -70.8 -31.7 3.8 23.5 21.8 441 452 A K H X S+ 0 0 129 -4,-2.2 4,-1.0 2,-0.2 6,-0.2 0.913 117.4 42.4 -69.4 -40.7 4.9 25.7 18.8 442 453 A A H 4>S+ 0 0 20 -5,-0.4 5,-1.9 2,-0.2 3,-0.3 0.962 115.5 48.4 -64.1 -55.3 4.9 28.7 21.2 443 454 A F H ><5S+ 0 0 21 -4,-3.3 3,-1.6 1,-0.2 -2,-0.2 0.906 104.4 59.8 -52.9 -51.4 6.6 27.0 24.1 444 455 A K H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 109.5 38.6 -47.6 -51.8 9.4 25.4 22.0 445 456 A E T 3<5S- 0 0 109 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.140 121.5 -93.5 -98.3 21.9 11.0 28.6 20.7 446 457 A G T < 5S+ 0 0 62 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.488 78.8 141.3 88.1 5.1 10.6 30.8 23.8 447 458 A K < - 0 0 142 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.669 56.2-110.0 -88.7 130.6 7.3 32.4 22.8 448 459 A N - 0 0 150 -2,-0.4 -1,-0.1 1,-0.1 -5,-0.1 -0.352 33.9-126.1 -66.3 131.4 4.6 33.0 25.5 449 460 A Y - 0 0 73 -2,-0.1 2,-0.3 1,-0.1 -10,-0.1 -0.255 22.5-101.9 -76.2 157.7 1.5 30.7 25.4 450 461 A D >> - 0 0 97 -12,-0.5 4,-1.9 1,-0.1 3,-1.0 -0.635 20.3-133.3 -81.3 138.1 -2.2 31.8 25.3 451 462 A K H 3> S+ 0 0 139 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.950 107.5 54.6 -48.5 -56.0 -4.2 31.6 28.5 452 463 A A H 3> S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.681 107.1 51.1 -56.0 -24.8 -7.1 29.9 26.6 453 464 A D H <> S+ 0 0 14 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.930 111.5 45.8 -76.3 -52.0 -4.7 27.2 25.3 454 465 A F H X S+ 0 0 22 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.944 115.1 48.9 -49.1 -53.3 -3.2 26.3 28.7 455 466 A E H X S+ 0 0 109 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.800 108.4 51.5 -65.3 -36.1 -6.8 26.3 30.2 456 467 A T H X S+ 0 0 55 -4,-1.1 4,-3.2 -5,-0.2 -1,-0.2 0.913 113.1 47.0 -65.6 -43.1 -8.2 24.1 27.5 457 468 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.890 114.6 44.3 -63.8 -45.8 -5.4 21.6 28.1 458 469 A Q H X S+ 0 0 49 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.895 114.9 50.8 -66.3 -39.9 -5.8 21.7 31.9 459 470 A Y H X S+ 0 0 145 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.947 109.4 51.2 -54.5 -52.7 -9.5 21.4 31.3 460 471 A T H X S+ 0 0 7 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.936 113.0 44.3 -51.5 -53.5 -8.9 18.4 29.0 461 472 A F H X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.887 112.6 51.3 -63.1 -42.0 -6.7 16.7 31.7 462 473 A E H X S+ 0 0 102 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.903 112.1 47.5 -59.0 -43.8 -9.2 17.5 34.5 463 474 A R H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.851 106.0 57.6 -69.1 -35.4 -12.1 16.0 32.4 464 475 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.878 108.4 47.7 -61.6 -38.5 -10.1 12.8 31.5 465 476 A K H X S+ 0 0 51 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.922 111.2 47.7 -69.9 -50.3 -9.7 12.1 35.2 466 477 A E H X S+ 0 0 77 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.903 114.4 49.7 -51.7 -45.6 -13.3 12.6 36.1 467 478 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.936 110.5 48.3 -62.4 -49.8 -14.3 10.5 33.2 468 479 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.880 113.6 46.4 -60.0 -43.2 -11.9 7.6 34.0 469 480 A D H X S+ 0 0 68 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.859 113.4 48.0 -71.1 -35.2 -13.0 7.5 37.6 470 481 A I H < S+ 0 0 76 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 112.9 50.7 -70.9 -36.5 -16.7 7.6 36.8 471 482 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.890 103.6 55.6 -68.9 -46.3 -16.3 4.9 34.2 472 483 A L H 3< S+ 0 0 33 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.6 45.1 -54.5 -32.3 -14.4 2.4 36.5 473 484 A M T 3< S+ 0 0 146 -4,-0.9 2,-0.4 -5,-0.2 -1,-0.2 0.305 84.2 118.5-100.7 9.6 -17.3 2.5 39.0 474 485 A N < - 0 0 23 -3,-1.4 7,-0.1 1,-0.1 -3,-0.0 -0.626 34.7-179.4 -85.4 133.0 -20.2 2.2 36.6 475 486 A T + 0 0 108 -2,-0.4 3,-0.4 1,-0.1 -1,-0.1 0.144 64.0 87.0-115.9 14.7 -22.5 -0.8 37.0 476 487 A E S S+ 0 0 99 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.888 108.2 18.4 -80.7 -42.5 -25.0 -0.0 34.1 477 488 A N S > S+ 0 0 19 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 -0.623 75.1 167.7-127.2 77.4 -22.8 -1.8 31.5 478 489 A K H > S+ 0 0 136 -3,-0.4 4,-2.6 -2,-0.2 5,-0.2 0.885 74.8 54.2 -56.6 -49.6 -20.5 -4.0 33.5 479 490 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.946 108.6 50.2 -56.4 -46.3 -19.2 -6.1 30.6 480 491 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.950 110.8 50.1 -51.1 -49.0 -18.2 -2.8 28.7 481 492 A I H X S+ 0 0 9 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.905 107.8 52.4 -61.1 -41.2 -16.4 -1.6 31.9 482 493 A V H < S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.908 109.9 50.4 -60.0 -41.5 -14.5 -4.9 32.3 483 494 A E H < S+ 0 0 35 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.938 118.9 34.6 -59.8 -46.8 -13.3 -4.7 28.6 484 495 A I H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.8 0.520 86.9 102.5 -91.6 -8.1 -12.0 -1.2 28.9 485 496 A T H 3X S+ 0 0 36 -4,-1.5 4,-2.2 1,-0.3 5,-0.2 0.840 79.2 51.0 -53.0 -44.1 -10.7 -1.1 32.5 486 497 A P H 3> S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.891 115.2 45.0 -62.7 -34.0 -6.9 -1.5 31.7 487 498 A W H <> S+ 0 0 6 -3,-0.8 4,-2.3 -4,-0.2 -2,-0.2 0.814 108.0 56.9 -74.3 -31.8 -7.2 1.4 29.3 488 499 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.892 109.8 47.3 -64.0 -40.9 -9.3 3.5 31.7 489 500 A H H X S+ 0 0 84 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.933 114.4 44.3 -61.7 -50.0 -6.4 3.2 34.2 490 501 A Q H X S+ 0 0 8 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.854 110.9 55.5 -64.5 -38.0 -3.7 4.1 31.7 491 502 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.861 107.8 49.5 -60.7 -42.7 -5.9 7.0 30.4 492 503 A K H X S+ 0 0 49 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.877 109.4 49.4 -65.8 -42.4 -6.1 8.4 33.9 493 504 A L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.845 109.3 55.5 -64.8 -33.9 -2.3 8.2 34.5 494 505 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.912 109.6 44.1 -61.2 -48.0 -2.0 10.0 31.2 495 506 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.928 113.7 51.5 -61.9 -43.9 -4.2 12.8 32.3 496 507 A E H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.881 109.5 49.6 -63.4 -42.7 -2.4 13.0 35.7 497 508 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.3 0.862 109.0 53.8 -62.3 -38.2 1.0 13.1 34.0 498 509 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.925 107.8 49.0 -60.4 -47.8 -0.4 15.9 31.8 499 510 A E H X S+ 0 0 17 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.876 112.2 48.8 -56.9 -42.5 -1.4 18.0 34.8 500 511 A E H X S+ 0 0 11 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.809 109.3 51.5 -72.4 -33.7 1.9 17.6 36.4 501 512 A V H X S+ 0 0 3 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.888 109.2 51.0 -68.1 -39.7 3.8 18.5 33.3 502 513 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.830 105.9 55.9 -66.2 -31.8 1.7 21.7 33.0 503 514 A K H < S+ 0 0 46 -4,-1.4 5,-0.3 1,-0.2 -1,-0.2 0.869 102.7 55.7 -68.7 -35.7 2.6 22.5 36.6 504 515 A M H >< S+ 0 0 3 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.796 108.1 50.3 -60.5 -28.5 6.3 22.3 35.7 505 516 A V H 3< S+ 0 0 22 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.886 112.5 41.7 -81.3 -41.1 5.5 24.9 33.0 506 517 A E T 3< S+ 0 0 80 -4,-2.0 2,-0.4 0, 0.0 -1,-0.3 0.016 97.8 171.5 -89.3 33.4 3.8 27.3 35.3 507 518 A G < - 0 0 31 -3,-0.8 -3,-0.1 1,-0.1 6,-0.1 -0.259 23.2-166.9 -64.5 105.2 6.6 26.2 37.6 508 519 A R - 0 0 150 -2,-0.4 2,-0.3 -5,-0.3 -1,-0.1 0.840 60.8 -14.1 -55.3 -54.8 6.9 28.2 40.8 509 520 A N S > S- 0 0 84 1,-0.0 4,-2.6 0, 0.0 3,-0.5 -0.978 72.2 -98.3-160.6 147.9 10.3 27.5 42.4 510 521 A E H > S+ 0 0 84 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.757 120.1 51.2 -48.9 -38.2 13.0 24.8 41.8 511 522 A S H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.951 113.0 46.5 -70.9 -41.7 12.0 22.5 44.7 512 523 A Y H > S+ 0 0 22 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.927 112.0 52.0 -59.0 -47.3 8.4 22.6 43.4 513 524 A F H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.902 109.9 48.4 -53.2 -47.9 9.8 22.0 39.9 514 525 A L H X S+ 0 0 55 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.805 107.3 55.9 -68.1 -32.4 11.8 19.0 41.1 515 526 A R H X S+ 0 0 151 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.945 112.0 42.1 -62.1 -50.3 8.8 17.5 42.9 516 527 A K H X S+ 0 0 20 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.902 111.5 56.5 -63.2 -43.0 6.7 17.6 39.8 517 528 A Y H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.937 111.0 43.9 -51.8 -50.8 9.7 16.3 37.8 518 529 A N H X S+ 0 0 103 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.840 111.4 52.6 -66.2 -37.6 9.9 13.3 40.2 519 530 A H H X S+ 0 0 84 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 109.1 51.3 -63.8 -41.4 6.1 12.7 40.1 520 531 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.947 107.8 50.3 -59.3 -50.8 6.2 12.6 36.3 521 532 A K H X S+ 0 0 28 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.835 114.0 47.5 -57.8 -33.1 9.0 10.0 36.1 522 533 A A H X S+ 0 0 35 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.765 108.3 52.0 -79.3 -32.4 7.0 7.9 38.6 523 534 A L H X S+ 0 0 4 -4,-2.0 4,-1.5 -3,-0.3 -2,-0.2 0.870 110.7 50.0 -69.1 -41.3 3.7 8.2 36.7 524 535 A Q H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.871 108.1 52.4 -59.2 -43.7 5.5 7.1 33.6 525 536 A Q H X S+ 0 0 96 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.878 107.5 53.4 -62.6 -35.3 6.9 4.1 35.5 526 537 A Q H X S+ 0 0 101 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.859 107.1 51.3 -66.2 -36.8 3.4 3.3 36.5 527 538 A M H X S+ 0 0 12 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.857 109.5 48.8 -69.7 -39.3 2.3 3.3 32.8 528 539 A F H X S+ 0 0 15 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.904 108.2 56.8 -61.4 -41.1 5.1 1.0 31.9 529 540 A Y H >X S+ 0 0 155 -4,-2.1 3,-0.7 1,-0.2 4,-0.7 0.948 112.3 39.4 -57.4 -50.2 4.0 -1.2 34.8 530 541 A I H >X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 3,-1.0 0.920 112.6 56.2 -62.8 -46.5 0.5 -1.5 33.4 531 542 A D H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.659 114.5 41.0 -58.7 -15.0 1.8 -1.8 29.8 532 543 A Q H << S+ 0 0 103 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.486 123.0 34.6-115.2 -4.5 3.8 -4.8 31.0 533 544 A T H << S+ 0 0 73 -3,-1.0 3,-0.3 -4,-0.7 2,-0.2 0.640 106.6 66.5-121.0 -32.1 1.4 -6.6 33.3 534 545 A S S < S+ 0 0 37 -4,-2.6 8,-0.4 -5,-0.2 3,-0.1 -0.657 106.8 6.0 -92.3 151.0 -2.1 -6.0 31.7 535 546 A N S S+ 0 0 42 -2,-0.2 7,-2.6 1,-0.2 2,-1.7 0.890 72.2 178.3 49.7 50.7 -3.3 -7.4 28.3 536 547 A Q + 0 0 99 -3,-0.3 -1,-0.2 5,-0.3 -199,-0.0 -0.344 13.4 157.6 -88.6 58.4 -0.2 -9.5 27.8 537 548 A N - 0 0 25 -2,-1.7 -200,-0.0 3,-0.3 -3,-0.0 -0.238 52.0-114.7 -68.8 168.1 -1.1 -11.1 24.5 538 549 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.501 106.2 49.2 -84.6 -5.1 1.7 -12.5 22.3 539 550 A Y S S- 0 0 144 1,-0.2 -205,-0.0 -203,-0.0 -3,-0.0 0.896 131.2 -3.2-103.6 -61.9 1.1 -10.1 19.4 540 551 A Q S S- 0 0 50 -5,-0.1 -3,-0.3 2,-0.1 -1,-0.2 -0.800 79.5-161.3-135.9 89.1 0.9 -6.6 20.8 541 552 A P + 0 0 54 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.466 44.4 22.8 -68.6 135.5 1.1 -6.8 24.6 542 553 A G S S- 0 0 0 -7,-2.6 2,-0.4 -8,-0.4 -11,-0.2 -0.675 82.1 -64.9 121.5-159.2 -0.0 -4.0 26.8 543 554 A V + 0 0 0 -2,-0.2 2,-0.4 -16,-0.2 -205,-0.2 -0.934 39.2 177.5-145.9 102.2 -2.2 -0.9 27.0 544 555 A K + 0 0 63 -207,-2.8 -205,-0.4 -2,-0.4 2,-0.3 -0.921 11.6 168.2-107.4 142.3 -1.7 2.2 24.9 545 556 A T + 0 0 7 -2,-0.4 -131,-0.2 -55,-0.1 6,-0.1 -0.981 55.2 11.6-150.1 154.4 -4.0 5.2 25.0 546 557 A A S >S+ 0 0 0 -133,-1.5 5,-2.9 -2,-0.3 -132,-0.1 0.839 79.1 147.7 46.4 44.7 -4.3 8.9 23.9 547 558 A T T 5 + 0 0 38 -134,-0.2 -1,-0.1 3,-0.2 -133,-0.1 0.702 49.5 59.2 -88.6 -27.7 -1.3 8.1 21.7 548 559 A R T 5S- 0 0 100 -135,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.856 127.9 -10.1 -72.5 -39.7 -1.9 10.3 18.6 549 560 A V T >5S+ 0 0 10 -136,-0.1 4,-2.0 3,-0.1 5,-0.1 0.663 127.9 52.3-128.7 -54.8 -2.0 13.8 20.2 550 561 A I H >5S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 108.8 45.3 -67.4 -53.5 -2.1 13.8 24.0 551 562 A K H > S+ 0 0 47 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.861 110.8 52.3 -63.0 -31.8 3.2 13.2 22.4 553 564 A L H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.972 113.6 43.4 -60.1 -53.0 2.1 16.7 23.7 554 565 A I H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.888 118.5 45.1 -58.9 -45.7 2.8 15.6 27.2 555 566 A D H X S+ 0 0 32 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.954 114.2 46.6 -62.4 -53.9 6.1 14.0 26.2 556 567 A R H X S+ 0 0 127 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.849 114.3 49.1 -61.5 -33.6 7.3 16.8 24.0 557 568 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.819 108.6 52.6 -75.2 -34.2 6.5 19.4 26.6 558 569 A F H X S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.2 5,-0.3 0.970 109.0 49.3 -64.6 -52.8 8.2 17.5 29.4 559 570 A A H X S+ 0 0 37 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.846 113.4 49.2 -52.6 -36.0 11.4 17.3 27.4 560 571 A T H X S+ 0 0 13 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.930 110.6 44.6 -76.5 -47.8 11.2 21.0 26.7 561 572 A V H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.874 114.1 51.3 -66.3 -37.0 10.6 22.4 30.2 562 573 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.910 109.2 52.2 -61.0 -43.8 13.4 20.1 31.6 563 574 A K H < S+ 0 0 100 -4,-1.6 4,-0.4 -5,-0.3 -2,-0.2 0.909 109.1 48.6 -57.8 -46.5 15.6 21.5 28.8 564 575 A F H X S+ 0 0 63 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.784 111.2 50.5 -68.2 -30.8 14.9 25.1 29.9 565 576 A F H X S+ 0 0 15 -4,-1.6 4,-2.6 1,-0.2 5,-0.5 0.898 104.3 58.4 -71.2 -40.4 15.6 24.2 33.5 566 577 A N H < S+ 0 0 32 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.525 112.7 40.9 -67.6 -7.1 18.9 22.6 32.5 567 578 A Q H 4 S+ 0 0 123 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.740 113.5 50.8-102.1 -39.8 19.9 26.0 31.0 568 579 A K H < S+ 0 0 174 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.898 133.2 15.0 -65.7 -43.8 18.5 28.2 33.8 569 580 A F S < S- 0 0 95 -4,-2.6 -1,-0.2 -5,-0.1 -3,-0.2 0.397 103.1-124.5-109.4 -2.8 20.2 26.3 36.6 570 581 A N + 0 0 144 -5,-0.5 -3,-0.2 1,-0.1 -4,-0.2 0.987 54.1 162.5 52.4 77.7 22.7 24.4 34.4 571 582 A A - 0 0 42 -5,-0.3 -1,-0.1 2,-0.1 -5,-0.1 -0.371 53.9-118.5-121.9-171.7 21.7 20.9 35.6 572 583 A H + 0 0 190 -2,-0.1 3,-0.1 2,-0.1 -6,-0.0 0.546 52.6 146.3-102.7 -16.8 21.7 17.1 34.9 573 584 A L - 0 0 34 1,-0.1 2,-0.1 -11,-0.1 -7,-0.1 0.114 53.0-119.6 -40.5 121.7 18.0 16.3 34.7 574 585 A D - 0 0 73 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.428 20.9-157.9 -59.3 135.0 17.2 13.5 32.3 575 586 A A + 0 0 35 -3,-0.1 -13,-0.1 -2,-0.1 -1,-0.1 0.496 58.0 91.4 -99.4 -7.4 14.9 15.0 29.5 576 587 A T - 0 0 67 1,-0.1 3,-0.2 -18,-0.1 -2,-0.0 -0.430 42.6-177.5 -87.9 160.9 13.3 11.7 28.3 577 588 A T S S+ 0 0 11 -2,-0.1 2,-3.1 1,-0.1 -1,-0.1 0.611 77.8 64.7-116.1 -57.8 10.0 10.0 29.3 578 589 A D + 0 0 91 2,-0.0 2,-0.3 -50,-0.0 -1,-0.1 -0.443 66.2 145.8 -70.2 68.0 10.0 6.8 27.2 579 590 A Y - 0 0 72 -2,-3.1 -2,-0.0 -3,-0.2 0, 0.0 -0.570 47.9-124.5 -79.2 164.5 13.0 5.5 28.9 580 591 A M 0 0 119 -2,-0.3 -2,-0.0 1,-0.2 -55,-0.0 -0.982 360.0 360.0-127.8 137.1 12.6 1.7 29.0 581 592 A P 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -56,-0.0 0.830 360.0 360.0 -30.7 360.0 12.7 -0.7 32.1