==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-JUN-08 3DH7 . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR J.DE RUYCK,J.WOUTERS . 1265 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 905 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 96 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.0 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 3 6 11 2 5 4 7 4 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 9 17 5 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 . 10 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 4 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 9 A K 0 0 190 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-132.9 40.2 -54.5 12.3 2 10 A H >> + 0 0 42 1,-0.1 3,-2.5 2,-0.1 4,-1.1 0.597 360.0 105.9 -57.3 -35.0 39.6 -51.5 10.2 3 11 A L H 3> S+ 0 0 41 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.751 74.7 39.5 -14.9 -78.1 41.0 -54.0 7.6 4 12 A E H 3> S+ 0 0 86 2,-0.3 4,-2.5 3,-0.2 5,-0.3 0.460 101.8 70.0 -80.7 3.9 37.8 -54.9 5.7 5 13 A A H <> S+ 0 0 2 -3,-2.5 4,-3.1 3,-0.2 6,-0.2 0.905 112.0 33.5 -53.9 -72.2 36.6 -51.4 5.7 6 14 A C H < S+ 0 0 17 -4,-1.1 -2,-0.3 1,-0.2 -3,-0.1 0.765 127.9 44.0 -61.0 -16.1 39.6 -51.0 3.3 7 15 A L H < S+ 0 0 51 -4,-1.5 -1,-0.2 -5,-0.3 -3,-0.2 0.905 135.5 6.9 -82.6 -46.0 38.9 -54.5 2.1 8 16 A E H < S+ 0 0 141 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.448 102.7 94.1-124.7 -5.4 35.0 -54.4 1.8 9 17 A G S < S- 0 0 17 -4,-3.1 2,-1.3 -5,-0.3 3,-0.2 -0.429 77.1-118.1 -90.0 163.5 33.7 -50.9 2.4 10 18 A E + 0 0 122 1,-0.2 208,-0.1 -2,-0.1 -4,-0.1 -0.691 63.7 142.7 -92.1 75.1 32.8 -48.2 -0.0 11 19 A V + 0 0 1 -2,-1.3 194,-2.7 -6,-0.2 198,-0.3 0.295 30.4 107.0 -98.0 1.0 35.5 -46.2 1.8 12 20 A A B S-A 204 0A 24 192,-0.2 192,-0.2 -3,-0.2 191,-0.1 -0.569 90.5 -86.9 -79.3 141.1 36.8 -44.4 -1.4 13 21 A Y - 0 0 17 190,-3.3 -1,-0.2 -2,-0.2 212,-0.1 -0.171 40.1-157.9 -45.2 139.1 35.9 -40.8 -1.7 14 22 A Q S S+ 0 0 91 207,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.769 77.0 0.8 -98.3 -17.5 32.5 -40.7 -3.4 15 23 A K S S+ 0 0 174 1,-0.1 2,-0.2 207,-0.0 -2,-0.1 0.551 110.2 75.9-141.4 -42.1 32.5 -37.2 -4.9 16 24 A T - 0 0 28 187,-0.1 2,-0.4 210,-0.0 -1,-0.1 -0.603 66.9-158.2 -79.9 150.9 35.6 -35.3 -4.3 17 25 A T - 0 0 58 -2,-0.2 185,-0.2 184,-0.1 184,-0.1 -0.958 33.9-100.8-128.1 151.1 38.4 -36.4 -6.4 18 26 A T - 0 0 21 184,-0.4 213,-2.8 -2,-0.4 214,-0.6 0.764 51.6-130.2 -20.7 -46.1 42.2 -36.2 -6.4 19 27 A G S > S+ 0 0 17 212,-0.2 3,-2.2 211,-0.2 -1,-0.2 0.173 80.7 112.0 104.7 -17.8 41.8 -33.4 -8.8 20 28 A L G > + 0 0 0 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.630 62.8 69.5 -73.7 -16.9 44.3 -35.0 -11.2 21 29 A E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.1 298,-0.1 0.644 90.1 67.4 -72.6 -10.5 41.6 -35.6 -13.8 22 30 A G G < S+ 0 0 23 -3,-2.2 297,-2.3 296,-0.1 2,-0.4 0.684 93.1 74.6 -78.2 -13.6 41.8 -31.8 -14.1 23 31 A F E < -B 318 0B 19 -3,-1.3 2,-0.5 295,-0.2 295,-0.2 -0.798 65.2-156.0-112.8 140.3 45.2 -32.1 -15.5 24 32 A R E -B 317 0B 34 293,-4.1 293,-2.2 -2,-0.4 2,-0.3 -0.974 21.1-125.2-118.5 128.6 46.3 -33.1 -18.9 25 33 A L E -B 316 0B 5 -2,-0.5 2,-2.2 291,-0.2 522,-0.5 -0.442 22.8-127.5 -62.9 119.0 49.7 -34.5 -19.6 26 34 A R - 0 0 30 289,-2.5 -1,-0.1 -2,-0.3 2,-0.1 -0.517 31.1-149.6 -83.0 86.8 51.4 -32.5 -22.3 27 35 A Y - 0 0 0 -2,-2.2 2,-0.7 471,-0.1 474,-0.4 -0.279 6.2-153.9 -55.0 129.0 52.3 -35.5 -24.5 28 36 A Q > + 0 0 13 275,-5.0 3,-2.3 1,-0.2 4,-0.3 -0.674 20.8 172.9-116.4 79.7 55.4 -35.0 -26.6 29 37 A A T 3 S+ 0 0 0 -2,-0.7 3,-0.4 470,-0.6 -1,-0.2 0.858 90.2 37.6 -52.9 -31.9 55.7 -37.1 -29.9 30 38 A L T 3 S+ 0 0 13 1,-0.2 -1,-0.3 -3,-0.2 448,-0.1 0.028 73.8 117.6-114.2 33.9 58.8 -35.3 -30.8 31 39 A A < - 0 0 40 -3,-2.3 -1,-0.2 272,-0.1 -2,-0.1 0.729 69.1-144.2 -68.0 -17.7 60.4 -35.0 -27.4 32 40 A G + 0 0 20 -3,-0.4 444,-0.5 -4,-0.3 2,-0.3 0.938 50.3 125.9 54.4 55.3 63.0 -37.1 -29.1 33 41 A L - 0 0 4 442,-0.2 441,-1.3 269,-0.1 2,-0.5 -0.768 56.3-111.4-134.9-176.7 64.0 -39.1 -26.1 34 42 A A B >> -C 473 0C 0 -2,-0.3 3,-6.6 1,-0.2 4,-0.8 -0.949 8.5-141.0-129.0 125.5 64.3 -42.8 -25.3 35 43 A L G >4 S+ 0 0 14 437,-1.6 3,-3.7 -2,-0.5 -1,-0.2 0.917 109.7 66.6 -41.2 -71.2 62.1 -44.9 -22.9 36 44 A S G 34 S+ 0 0 87 1,-0.3 -1,-0.4 436,-0.3 437,-0.1 0.624 100.5 45.4 19.0 -61.5 65.4 -46.3 -22.3 37 45 A E G <4 S+ 0 0 63 -3,-6.6 2,-1.0 2,-0.0 -1,-0.3 0.463 77.9 106.7-104.0 2.6 66.6 -43.0 -20.7 38 46 A V << - 0 0 7 -3,-3.7 2,-0.6 -4,-0.8 270,-0.2 -0.754 59.3-162.2 -78.5 115.0 63.7 -42.1 -18.5 39 47 A D - 0 0 89 268,-2.3 12,-0.1 -2,-1.0 -3,-0.1 -0.841 20.7-164.6-105.8 100.0 65.3 -42.9 -15.1 40 48 A L + 0 0 7 -2,-0.6 2,-0.3 268,-0.1 -1,-0.1 0.495 46.3 132.5 -61.9 2.7 63.1 -43.4 -12.0 41 49 A T + 0 0 70 10,-0.1 9,-0.2 9,-0.1 -2,-0.1 -0.396 24.8 161.4 -71.2 120.8 66.1 -43.0 -9.6 42 50 A T E -D 49 0D 4 7,-1.4 7,-1.1 -2,-0.3 9,-0.2 -0.950 29.6-142.6-147.9 112.5 65.1 -40.6 -6.8 43 51 A P E +D 48 0D 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.408 26.6 179.1 -76.4 151.4 66.9 -40.3 -3.5 44 52 A F E > -D 47 0D 7 3,-2.9 3,-2.1 -2,-0.1 151,-0.1 -0.949 53.7 -9.2-167.4 130.8 64.8 -39.7 -0.4 45 53 A L T 3 S- 0 0 16 -2,-0.3 2,-0.3 149,-0.3 3,-0.1 0.880 127.7 -52.6 44.8 42.9 65.0 -39.3 3.3 46 54 A G T 3 S+ 0 0 86 1,-0.1 -1,-0.3 60,-0.0 2,-0.3 -0.044 123.5 81.6 90.8 -33.9 68.7 -40.4 3.0 47 55 A K E < S-D 44 0D 60 -3,-2.1 -3,-2.9 -2,-0.3 2,-0.6 -0.772 80.8-114.2-103.1 159.6 68.5 -43.6 1.1 48 56 A T E -D 43 0D 92 -2,-0.3 2,-0.1 -5,-0.3 -3,-0.0 -0.843 26.1-149.3 -94.1 107.2 68.2 -43.8 -2.8 49 57 A L E -D 42 0D 5 -7,-1.1 -7,-1.4 -2,-0.6 27,-0.2 -0.363 16.2-134.4 -69.1 150.6 64.9 -45.3 -4.1 50 58 A K S S+ 0 0 143 25,-3.3 26,-0.2 1,-0.2 -1,-0.1 0.609 95.4 6.2 -80.2 -16.0 64.9 -47.2 -7.5 51 59 A A S S- 0 0 3 24,-0.8 2,-2.5 -9,-0.2 26,-0.3 -0.912 91.4 -96.1-154.0 160.1 61.7 -45.2 -8.4 52 60 A P S S+ 0 0 0 0, 0.0 217,-1.2 0, 0.0 2,-0.4 -0.257 82.0 123.2 -77.6 56.8 59.8 -42.3 -6.6 53 61 A F E -e 269 0E 0 -2,-2.5 24,-2.6 215,-0.2 2,-0.4 -0.913 41.1-172.4-118.4 138.5 57.4 -44.6 -4.9 54 62 A L E -ef 270 77E 0 215,-2.7 217,-1.6 -2,-0.4 2,-0.3 -0.999 26.7-130.6-125.2 137.5 56.5 -45.3 -1.3 55 63 A I E -ef 271 78E 0 22,-2.3 24,-1.6 -2,-0.4 217,-0.2 -0.655 46.2-110.0 -77.2 140.8 54.2 -48.1 -0.4 56 64 A G - 0 0 5 215,-3.6 2,-0.2 -2,-0.3 -1,-0.1 -0.302 28.2 -87.6 -84.9 160.8 51.8 -46.4 1.8 57 65 A A + 0 0 28 -2,-0.1 2,-0.3 21,-0.1 24,-0.1 -0.428 60.6 169.7 -61.7 125.5 51.3 -46.6 5.5 58 66 A M 0 0 16 21,-0.3 23,-0.3 -2,-0.2 6,-0.0 -0.968 360.0 360.0-143.9 163.3 48.9 -49.4 6.3 59 67 A T 0 0 76 -2,-0.3 217,-0.0 22,-0.1 -2,-0.0 -0.934 360.0 360.0-178.3 360.0 47.2 -51.7 8.9 60 ! 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 61 74 A E 0 0 122 0, 0.0 35,-0.2 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -13.6 51.2 -57.7 10.3 62 75 A R > + 0 0 135 2,-0.1 4,-1.2 3,-0.1 3,-0.1 0.433 360.0 57.3-119.2 -33.5 51.6 -60.5 7.5 63 76 A I H >> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.961 101.5 57.4 -49.9 -57.0 50.3 -57.9 5.0 64 77 A N H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.778 103.7 52.7 -49.9 -27.1 53.4 -55.8 6.2 65 78 A L H 3> S+ 0 0 34 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.850 105.7 52.7 -84.0 -34.9 55.8 -58.6 5.2 66 79 A A H X>S+ 0 0 0 -4,-3.9 4,-1.9 1,-0.2 3,-1.2 0.923 109.1 42.0 -38.8 -74.4 59.7 -52.9 -1.2 72 85 A E H 3<5S+ 0 0 48 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.841 114.0 49.8 -42.6 -52.3 63.2 -54.6 -1.4 73 86 A A H 3<5S+ 0 0 72 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.893 120.1 37.3 -59.6 -33.2 62.7 -56.4 -4.6 74 87 A L H <<5S- 0 0 49 -4,-2.6 -1,-0.2 -3,-1.2 -2,-0.2 0.679 102.8-121.4-101.7 -20.3 61.5 -53.3 -6.3 75 88 A G T <5 + 0 0 16 -4,-1.9 -25,-3.3 1,-0.3 -24,-0.8 0.663 65.3 134.8 87.2 26.3 63.6 -50.5 -4.8 76 89 A V < - 0 0 1 -5,-1.2 30,-0.5 -6,-0.3 -1,-0.3 -0.622 54.0-111.5-105.3 162.5 60.7 -48.5 -3.4 77 90 A G E -f 54 0E 0 -24,-2.6 -22,-2.3 -26,-0.3 2,-0.3 -0.326 29.2-158.0 -81.6 174.9 60.2 -46.9 0.0 78 91 A M E -fg 55 107E 0 28,-1.3 30,-3.7 -24,-0.3 2,-0.5 -0.889 16.0-144.1-162.6 125.4 57.7 -48.0 2.7 79 92 A M E - g 0 108E 1 -24,-1.6 -21,-0.3 -2,-0.3 2,-0.2 -0.786 21.4-142.4 -81.6 129.6 55.9 -46.6 5.6 80 93 A L E - 0 0 0 28,-2.9 30,-0.2 -2,-0.5 3,-0.1 -0.519 35.3-103.9 -75.9 156.1 55.5 -49.1 8.4 81 94 A G E - 0 0 1 -23,-0.3 29,-0.9 -2,-0.2 -1,-0.2 -0.024 66.6 -37.8 -75.7-173.4 52.0 -48.6 9.9 82 95 A S E - g 0 110E 10 1,-0.2 3,-0.4 27,-0.1 4,-0.3 -0.274 41.6-149.0 -59.1 115.3 51.4 -46.9 13.3 83 96 A G > + 0 0 0 27,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.451 63.8 131.9 -59.7 -1.2 54.2 -47.8 15.9 84 97 A R T 4 + 0 0 93 26,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.670 68.5 25.0 -0.3 -95.7 51.0 -47.2 18.0 85 98 A I T >4 S+ 0 0 83 -3,-0.4 3,-2.7 1,-0.2 4,-0.3 0.925 114.3 68.4 -47.0 -63.2 50.9 -50.2 20.2 86 99 A L G >4 S+ 0 0 5 1,-0.3 3,-1.2 -4,-0.3 -1,-0.2 0.707 92.9 53.8 -32.3 -57.8 54.7 -50.9 20.1 87 100 A L G 3< S+ 0 0 14 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.1 0.429 127.3 21.4 -75.8 1.4 56.0 -47.9 22.0 88 101 A E G < S+ 0 0 98 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.061 123.0 53.4-153.1 27.3 53.8 -48.6 25.0 89 102 A R S < S- 0 0 154 -3,-1.2 2,-0.2 -4,-0.3 3,-0.1 -0.375 94.3-151.8-138.3 56.8 53.0 -52.3 24.6 90 103 A P + 0 0 68 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 0.225 45.7 133.9 -22.0 -43.6 56.7 -52.6 24.4 91 104 A E + 0 0 88 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.008 35.8 25.4 50.8-117.8 56.5 -55.7 22.2 92 105 A A + 0 0 6 3,-0.5 5,-0.2 -3,-0.1 -3,-0.0 -0.665 8.0 155.6-126.5 148.5 58.5 -56.5 19.0 93 106 A L S S+ 0 0 71 -2,-0.3 6,-0.4 3,-0.1 4,-0.1 0.834 110.8 55.5 -91.0 -51.4 61.4 -56.3 16.5 94 107 A R S S+ 0 0 144 3,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.203 102.6 78.5 90.6 -62.0 60.1 -59.2 15.7 95 108 A S S S- 0 0 51 2,-0.2 -3,-0.5 -9,-0.0 2,-0.2 -0.818 113.4 -9.0-162.8 141.0 56.6 -57.9 15.0 96 109 A F S S+ 0 0 19 -2,-0.2 2,-0.3 -35,-0.2 -3,-0.1 -0.810 104.1 160.5 -58.6 -44.7 55.2 -56.4 12.8 97 110 A R + 0 0 86 -2,-0.2 -2,-0.2 -5,-0.2 -3,-0.1 -0.973 20.8 174.7 148.4-122.9 58.9 -56.4 11.8 98 111 A V >> + 0 0 0 -2,-0.3 3,-1.0 -4,-0.1 4,-0.6 -0.852 52.0 79.2-137.6 11.1 59.8 -55.9 8.8 99 112 A R T 34 S+ 0 0 26 -6,-0.4 6,-0.1 32,-0.3 -5,-0.1 0.595 82.8 67.5 -78.9 -14.2 63.6 -55.6 8.2 100 113 A K T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 -6,-0.1 0.840 110.9 36.2 -68.8 -30.2 64.6 -59.3 8.3 101 114 A V T <4 S+ 0 0 63 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.571 131.2 37.3-100.0 -9.1 62.7 -59.9 5.0 102 115 A A < + 0 0 0 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.2 -0.473 64.8 158.7-142.5 66.6 63.8 -56.3 3.8 103 116 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.953 76.1 30.8 -61.0 -61.2 67.3 -55.2 4.8 104 117 A K S S+ 0 0 170 2,-0.1 3,-0.1 -57,-0.0 -5,-0.0 0.664 92.4 112.1 -74.9 -18.5 68.4 -52.4 2.5 105 118 A A S S- 0 0 10 1,-0.1 2,-0.6 -3,-0.1 -28,-0.1 -0.026 76.6-106.1 -62.4 150.9 64.9 -50.9 1.8 106 119 A L - 0 0 2 -30,-0.5 -28,-1.3 27,-0.1 2,-0.6 -0.742 39.0-166.6 -84.5 121.7 64.0 -47.4 3.0 107 120 A L E -g 78 0E 0 -2,-0.6 27,-3.0 -30,-0.2 28,-0.9 -0.948 7.7-165.4-115.0 118.2 61.5 -47.8 6.0 108 121 A I E -gh 79 135E 0 -30,-3.7 -28,-2.9 -2,-0.6 2,-0.4 -0.879 12.1-153.0-103.1 134.4 59.6 -44.9 7.2 109 122 A A E - h 0 136E 0 26,-2.1 28,-2.6 -2,-0.5 2,-0.3 -0.832 12.0-147.1-108.2 139.2 58.0 -45.5 10.6 110 123 A N E +gh 82 137E 5 -29,-0.9 -27,-3.4 -2,-0.4 -26,-0.4 -0.816 31.5 152.0-134.8 167.6 54.9 -43.7 11.7 111 124 A L - 0 0 0 26,-1.3 4,-0.4 -2,-0.3 27,-0.2 0.598 45.2-110.4-151.8 -42.3 53.3 -42.4 14.6 112 125 A G > - 0 0 1 25,-0.4 3,-1.6 1,-0.1 4,-0.5 0.404 27.8-108.9 92.8 115.6 50.9 -39.6 14.5 113 126 A L G > S+ 0 0 2 26,-1.5 3,-1.5 1,-0.3 4,-0.4 0.762 110.3 75.2 -58.5 -31.4 51.5 -36.2 15.8 114 127 A A G > S+ 0 0 13 25,-0.4 3,-1.9 1,-0.3 4,-0.4 0.841 85.3 62.0 -48.4 -42.5 49.0 -36.9 18.6 115 128 A Q G X> S+ 0 0 32 -3,-1.6 4,-1.7 -4,-0.4 3,-1.7 0.796 81.4 79.4 -61.8 -23.7 51.4 -39.2 20.5 116 129 A L G <4 S+ 0 0 9 -3,-1.5 3,-0.3 -4,-0.5 -1,-0.3 0.903 82.0 68.6 -48.5 -35.7 53.7 -36.4 20.9 117 130 A R G <4 S+ 0 0 81 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.895 120.8 15.6 -38.1 -49.3 51.2 -35.5 23.7 118 131 A R T <4 S+ 0 0 193 -3,-1.7 2,-0.4 -4,-0.4 -2,-0.2 0.268 110.9 83.0-124.0 16.7 52.6 -38.6 25.5 119 132 A Y < - 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0 0 0 -2,-0.6 4,-2.6 805,-0.1 5,-0.1 -0.236 30.3-102.2 -71.7 171.6 46.3 -27.4 3.1 182 195 A R H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.920 128.6 47.5 -55.7 -47.1 48.3 -24.3 2.2 183 196 A E H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.965 105.6 57.2 -69.7 -41.6 47.8 -23.2 5.8 184 197 A A H >> S+ 0 0 1 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.950 110.0 48.7 -38.2 -57.8 48.8 -26.7 7.1 185 198 A A H 3X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.860 102.3 59.1 -48.0 -45.7 52.0 -26.1 5.2 186 199 A L H >< S+ 0 0 50 -4,-1.8 3,-1.2 -3,-0.4 4,-0.4 0.915 105.3 51.5 -60.2 -34.4 52.5 -22.7 6.7 187 200 A A H X< S+ 0 0 42 -4,-1.7 3,-0.6 -3,-0.6 4,-0.4 0.834 111.1 47.1 -70.3 -30.3 52.5 -24.3 10.1 188 201 A L H 3< S+ 0 0 2 -4,-1.2 5,-0.3 -3,-0.3 -1,-0.3 0.421 87.1 99.1 -85.1 -6.2 55.1 -26.8 9.0 189 202 A R T << S+ 0 0 128 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.812 86.3 37.1 -63.0 -26.8 57.1 -24.0 7.4 190 203 A D S < S+ 0 0 138 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.951 88.6 95.1 -98.5 -39.4 59.5 -23.7 10.2 191 204 A L S S- 0 0 18 -4,-0.4 2,-1.8 1,-0.1 -29,-0.1 -0.241 82.6-118.5 -35.4 123.9 60.2 -27.1 11.4 192 205 A P + 0 0 76 0, 0.0 -21,-0.2 0, 0.0 2,-0.1 -0.615 52.4 171.3 -63.8 66.3 63.3 -28.6 9.8 193 206 A L - 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