==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-JAN-03 1NPY . COMPND 2 MOLECULE: HYPOTHETICAL SHIKIMATE 5-DEHYDROGENASE-LIKE . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.KOROLEV,O.KOROLEVA,T.ZAREMBINSKI,F.COLLART,A.JOACHIMIAK, . 1079 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.7 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 . 4 0.4 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 . 71 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.7 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 4 1 3 0 4 0 7 5 8 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 18 0 4 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 4 0 4 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 . 0 0 0 0 8 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 1 A M 0 0 228 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 96.8 -28.7 22.6 -2.1 2 2 A I + 0 0 128 2,-0.1 2,-0.3 3,-0.0 32,-0.0 -0.332 360.0 174.4 -67.5 139.7 -25.7 22.7 -4.5 3 3 A N > - 0 0 80 31,-0.0 3,-1.7 -2,-0.0 -1,-0.0 -0.859 49.1 -90.7-133.2 176.1 -25.5 25.3 -7.2 4 4 A K T 3 S+ 0 0 186 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 0.736 124.2 52.7 -59.8 -22.2 -23.0 26.4 -9.8 5 5 A D T 3 S+ 0 0 100 2,-0.1 -1,-0.3 30,-0.0 2,-0.1 0.487 78.5 119.3 -95.1 -3.0 -21.5 28.9 -7.4 6 6 A T < - 0 0 22 -3,-1.7 2,-0.4 1,-0.1 29,-0.3 -0.408 62.8-132.1 -63.0 133.0 -20.9 26.4 -4.6 7 7 A Q E -a 35 0A 84 27,-2.5 29,-2.2 -2,-0.1 2,-0.5 -0.737 13.2-140.1 -88.8 137.5 -17.3 26.2 -3.7 8 8 A L E -a 36 0A 42 -2,-0.4 50,-1.8 48,-0.2 51,-0.9 -0.840 18.8-178.2 -97.4 127.7 -15.6 22.8 -3.4 9 9 A C E +ab 37 59A 0 27,-2.8 29,-1.5 -2,-0.5 2,-0.3 -0.870 18.0 162.1-115.6 156.9 -13.1 22.1 -0.7 10 10 A M E -ab 38 60A 9 49,-1.8 51,-3.2 -2,-0.3 2,-0.3 -0.895 31.1-123.3-157.8 176.9 -11.5 18.8 -0.5 11 11 A S E -ab 39 61A 13 27,-1.3 29,-2.4 -2,-0.3 2,-0.4 -0.970 10.7-152.3-136.7 157.9 -8.7 16.5 0.8 12 12 A L E +ab 40 62A 5 49,-2.0 51,-2.5 -2,-0.3 2,-0.3 -0.997 30.7 145.0-128.5 126.6 -6.2 14.1 -0.9 13 13 A S - 0 0 9 27,-1.3 29,-0.3 -2,-0.4 51,-0.1 -0.982 55.5-121.3-154.4 159.7 -4.9 11.1 0.8 14 14 A G S S+ 0 0 32 50,-2.5 -1,-0.1 -2,-0.3 27,-0.1 0.803 115.0 27.1 -72.8 -27.7 -3.8 7.5 0.1 15 15 A R S S- 0 0 225 49,-0.5 -1,-0.3 25,-0.1 49,-0.1 -0.779 91.0-147.5-136.8 84.1 -6.4 6.3 2.5 16 16 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.187 9.2-155.8 -57.3 142.3 -9.3 8.8 2.8 17 17 A S - 0 0 73 1,-0.0 4,-0.3 0, 0.0 22,-0.1 -0.651 20.0-131.6-106.9 165.7 -11.1 9.2 6.1 18 18 A N S > S+ 0 0 121 -2,-0.2 4,-2.2 2,-0.1 5,-0.2 0.469 83.9 94.1 -93.5 -3.5 -14.7 10.5 6.7 19 19 A F H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 88.2 38.4 -57.2 -58.3 -13.7 12.9 9.4 20 20 A G H >>S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.894 113.7 54.2 -66.5 -40.7 -13.2 16.0 7.3 21 21 A T H >5S+ 0 0 29 -4,-0.3 4,-1.2 2,-0.2 5,-0.2 0.936 115.5 41.5 -58.0 -41.7 -16.2 15.4 5.0 22 22 A T H X5S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.1 -2,-0.2 0.973 119.6 43.2 -67.7 -48.4 -18.5 15.1 8.0 23 23 A F H X5S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.912 116.1 43.5 -67.4 -53.3 -17.0 18.0 10.0 24 24 A H H X5S+ 0 0 2 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.925 113.1 50.9 -66.2 -42.5 -16.6 20.6 7.3 25 25 A N H XS+ 0 0 4 -4,-2.7 5,-2.2 1,-0.2 4,-0.7 0.934 110.5 47.2 -56.3 -43.3 -21.0 24.9 6.1 29 29 A D H ><5S+ 0 0 126 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.939 113.2 46.5 -60.5 -51.2 -24.6 24.2 6.9 30 30 A K H 3<5S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.0 44.2 -64.6 -31.9 -24.6 25.8 10.3 31 31 A L H 3<5S- 0 0 50 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.426 109.1-117.9 -95.3 0.8 -22.8 29.0 9.0 32 32 A G T <<5 + 0 0 72 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.835 57.8 158.1 65.9 34.9 -24.8 29.4 5.8 33 33 A L < - 0 0 31 -5,-2.2 2,-1.9 -6,-0.2 -1,-0.2 -0.778 46.8-134.3 -96.1 132.7 -21.8 28.9 3.6 34 34 A N + 0 0 59 -2,-0.4 -27,-2.5 -29,-0.1 2,-0.3 -0.550 68.7 112.0 -85.2 72.0 -22.2 27.9 -0.1 35 35 A F E -a 7 0A 17 -2,-1.9 2,-0.3 -29,-0.3 -27,-0.2 -0.945 46.8-162.7-140.5 149.7 -19.5 25.3 0.1 36 36 A I E -a 8 0A 56 -29,-2.2 -27,-2.8 -2,-0.3 2,-0.4 -0.957 9.7-151.1-132.8 153.5 -19.2 21.5 0.0 37 37 A Y E +a 9 0A 12 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.979 16.7 169.7-124.9 138.0 -16.4 19.2 1.1 38 38 A K E -a 10 0A 106 -29,-1.5 -27,-1.3 -2,-0.4 2,-0.3 -0.980 28.6-127.4-145.6 141.4 -15.3 15.8 -0.2 39 39 A A E -a 11 0A 13 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.656 32.0-180.0 -78.6 140.3 -12.4 13.5 0.3 40 40 A F E -a 12 0A 72 -29,-2.4 -27,-1.3 -2,-0.3 2,-0.3 -0.818 14.3-151.4-129.7 166.4 -10.6 12.2 -2.8 41 41 A T - 0 0 82 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.1 -0.869 13.8-178.7-131.0 171.3 -7.7 10.0 -3.6 42 42 A T - 0 0 32 -29,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.974 33.2-152.2-162.2 156.5 -5.2 9.9 -6.4 43 43 A Q S S+ 0 0 206 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 0.150 94.8 58.5-113.9 13.7 -2.2 8.0 -7.8 44 44 A D > + 0 0 71 1,-0.1 4,-2.2 2,-0.0 3,-0.4 -0.634 57.3 177.3-144.5 80.6 -1.0 11.1 -9.6 45 45 A I H > S+ 0 0 22 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.827 79.6 61.3 -54.9 -40.1 -0.3 14.0 -7.2 46 46 A E H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.947 111.8 34.9 -52.3 -54.2 1.0 16.2 -10.1 47 47 A H H > S+ 0 0 99 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.779 113.8 59.7 -80.4 -20.4 -2.2 16.2 -12.0 48 48 A A H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.957 111.4 40.2 -64.3 -46.6 -4.3 16.2 -8.9 49 49 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.929 115.1 50.5 -72.1 -44.9 -2.8 19.5 -7.8 50 50 A K H X S+ 0 0 52 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.833 110.4 53.6 -59.8 -30.7 -2.8 20.9 -11.3 51 51 A G H X S+ 0 0 20 -4,-1.6 4,-2.6 2,-0.2 6,-0.3 0.864 101.5 56.5 -65.0 -43.4 -6.5 19.9 -11.3 52 52 A V H X>S+ 0 0 3 -4,-1.9 5,-1.7 1,-0.2 4,-0.6 0.938 113.5 42.1 -56.9 -48.0 -7.3 21.7 -8.1 53 53 A R H ><5S+ 0 0 71 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.957 115.0 47.9 -63.8 -49.1 -6.0 24.9 -9.8 54 54 A A H 3<5S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.831 114.2 46.4 -65.8 -31.9 -7.6 24.3 -13.2 55 55 A L H 3<5S- 0 0 135 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.495 109.7-119.3 -91.1 -3.0 -11.0 23.5 -11.8 56 56 A G T <<5 + 0 0 54 -3,-1.0 -48,-0.2 -4,-0.6 2,-0.2 0.755 47.2 172.2 68.3 30.0 -11.1 26.4 -9.3 57 57 A I < - 0 0 18 -5,-1.7 -1,-0.2 -6,-0.3 -48,-0.2 -0.492 24.2-147.3 -69.3 133.9 -11.3 24.2 -6.3 58 58 A R + 0 0 34 -50,-1.8 34,-3.0 -2,-0.2 2,-0.3 0.871 65.7 10.7 -77.3 -38.5 -10.9 26.5 -3.2 59 59 A G E -bC 9 91A 0 -51,-0.9 -49,-1.8 32,-0.2 2,-0.3 -0.993 55.3-170.6-149.8 140.3 -9.2 24.4 -0.6 60 60 A C E -bC 10 90A 0 30,-2.6 30,-1.9 -2,-0.3 -49,-0.3 -0.897 12.6-149.8-141.9 119.2 -7.4 21.1 -0.4 61 61 A A E -bC 11 89A 9 -51,-3.2 -49,-2.0 -2,-0.3 2,-0.5 -0.519 19.2-148.9 -76.3 145.3 -6.2 19.1 2.7 62 62 A V E +b 12 0A 2 26,-1.9 2,-0.2 -51,-0.2 -49,-0.2 -0.987 20.3 171.1-124.6 124.3 -3.1 17.0 2.0 63 63 A S > - 0 0 50 -51,-2.5 3,-2.5 -2,-0.5 4,-0.1 -0.662 38.9 -21.0-117.1 176.6 -2.4 13.7 3.9 64 64 A M T 3 S+ 0 0 146 1,-0.3 -50,-2.5 -2,-0.2 -49,-0.5 -0.346 119.4 23.1 -53.4 142.2 0.1 10.9 3.5 65 65 A P T 3 S+ 0 0 76 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 -0.795 123.2 50.8-101.1 39.4 1.6 10.1 1.1 66 66 A F <> + 0 0 17 -3,-2.5 4,-1.8 -54,-0.2 -2,-0.2 0.309 68.6 104.6-115.5 4.9 1.5 13.5 -0.5 67 67 A K T 4 S+ 0 0 46 1,-0.2 20,-2.5 2,-0.2 -1,-0.1 0.789 100.7 22.3 -71.5 -25.5 2.6 16.1 2.1 68 68 A E T >4 S+ 0 0 109 18,-0.2 3,-1.5 -3,-0.1 -1,-0.2 0.788 118.8 59.2-101.7 -38.3 6.0 16.5 0.5 69 69 A T T 34 S+ 0 0 72 -4,-0.3 -2,-0.2 1,-0.3 4,-0.2 0.727 99.7 59.8 -65.1 -21.9 5.3 15.4 -3.1 70 70 A C T >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -1,-0.3 0.697 85.3 83.3 -69.7 -21.0 2.7 18.0 -3.6 71 71 A M G X S+ 0 0 32 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.833 78.0 60.1 -65.5 -38.2 5.1 20.8 -2.9 72 72 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.705 105.4 53.6 -57.5 -17.5 6.8 21.2 -6.4 73 73 A F G < S+ 0 0 19 -3,-1.6 2,-0.2 -4,-0.2 -2,-0.2 0.370 91.4 91.7-102.1 1.3 3.3 22.0 -7.8 74 74 A L < - 0 0 19 -3,-1.8 3,-0.1 -4,-0.2 24,-0.1 -0.647 65.0-142.6-100.7 158.2 2.4 24.9 -5.4 75 75 A D S S+ 0 0 73 22,-1.6 2,-0.3 1,-0.3 23,-0.2 0.788 80.8 15.4 -90.7 -31.4 3.0 28.6 -5.8 76 76 A E E -d 98 0A 67 21,-1.8 23,-2.7 2,-0.0 2,-0.7 -0.913 59.9-152.5-154.3 117.9 3.9 29.8 -2.4 77 77 A I E -d 99 0A 39 -2,-0.3 23,-0.2 21,-0.2 21,-0.1 -0.842 22.6-145.2 -96.2 113.0 4.9 27.9 0.7 78 78 A H >> - 0 0 48 21,-2.9 4,-2.4 -2,-0.7 3,-1.1 -0.321 28.6 -97.5 -74.8 162.4 4.0 29.7 3.9 79 79 A P H 3> S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.781 119.6 59.9 -57.0 -33.8 6.1 29.7 7.1 80 80 A S H 34 S+ 0 0 10 2,-0.2 4,-0.4 1,-0.2 20,-0.1 0.875 113.3 38.0 -59.0 -41.5 4.1 27.0 8.8 81 81 A A H X>>S+ 0 0 0 -3,-1.1 5,-1.5 18,-0.4 4,-0.9 0.854 114.8 55.2 -78.6 -32.2 4.8 24.6 6.0 82 82 A Q H 3<5S+ 0 0 100 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.860 96.0 67.5 -65.0 -32.3 8.4 25.9 5.6 83 83 A A T 3<5S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 122.3 14.3 -63.1 -28.4 9.1 25.2 9.3 84 84 A I T <45S- 0 0 8 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.248 100.1-121.0-130.2 10.7 8.8 21.5 8.7 85 85 A E T <5S+ 0 0 109 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.902 78.9 107.7 45.1 51.0 9.1 21.2 4.9 86 86 A S < - 0 0 14 -5,-1.5 2,-0.4 -6,-0.1 -2,-0.2 -0.949 56.1-148.4-156.0 136.8 5.7 19.5 4.7 87 87 A V + 0 0 0 -20,-2.5 14,-0.2 -2,-0.3 -17,-0.1 -0.891 24.5 162.7-113.3 132.9 2.2 20.7 3.5 88 88 A N + 0 0 5 12,-2.0 -26,-1.9 -2,-0.4 2,-0.3 0.342 69.8 47.5-122.4 2.9 -1.2 19.7 4.9 89 89 A T E -CE 61 100A 0 11,-1.5 11,-2.4 -28,-0.3 2,-0.4 -0.983 55.3-172.5-149.5 128.6 -3.3 22.5 3.5 90 90 A I E -CE 60 99A 0 -30,-1.9 -30,-2.6 -2,-0.3 2,-0.5 -0.992 5.7-166.5-121.3 133.9 -3.6 24.3 0.1 91 91 A V E -CE 59 98A 2 7,-2.7 7,-2.8 -2,-0.4 2,-0.8 -0.981 13.7-144.6-119.2 124.2 -5.7 27.4 -0.5 92 92 A N E - E 0 97A 12 -34,-3.0 2,-0.8 -2,-0.5 5,-0.2 -0.815 15.0-175.1 -91.2 104.7 -6.4 28.4 -4.0 93 93 A D E > S- E 0 96A 34 3,-2.7 3,-1.9 -2,-0.8 -2,-0.0 -0.856 76.0 -44.7 -99.7 92.4 -6.4 32.2 -4.4 94 94 A N T 3 S- 0 0 179 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.842 122.8 -38.6 47.9 42.9 -7.5 32.8 -8.0 95 95 A G T 3 S+ 0 0 25 1,-0.2 2,-0.6 -43,-0.1 -1,-0.3 0.327 115.7 113.8 95.3 -5.7 -5.2 30.1 -9.3 96 96 A F E < - E 0 93A 76 -3,-1.9 -3,-2.7 -43,-0.0 2,-0.8 -0.894 58.6-147.7-103.5 109.4 -2.3 30.9 -6.9 97 97 A L E - E 0 92A 0 -2,-0.6 -21,-1.8 -5,-0.2 -22,-1.6 -0.771 12.6-167.4 -89.3 114.7 -1.9 28.0 -4.6 98 98 A R E -dE 76 91A 75 -7,-2.8 -7,-2.7 -2,-0.8 2,-0.4 -0.750 9.6-147.7-104.1 136.4 -0.7 28.9 -1.1 99 99 A A E +dE 77 90A 0 -23,-2.7 -21,-2.9 -2,-0.3 -18,-0.4 -0.931 20.5 168.0-114.2 137.2 0.6 26.1 1.2 100 100 A Y E - E 0 89A 38 -11,-2.4 -12,-2.0 -2,-0.4 -11,-1.5 -0.802 30.8-135.1-136.6 165.6 0.3 25.9 5.0 101 101 A N > + 0 0 3 -2,-0.2 4,-1.8 -14,-0.2 3,-0.2 -0.825 18.5 179.4-126.8 100.7 0.8 23.3 7.7 102 102 A T H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.634 79.1 65.7 -78.8 -13.2 -2.1 23.5 10.2 103 103 A D H > S+ 0 0 8 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.951 106.9 43.3 -64.3 -47.9 -0.7 20.7 12.4 104 104 A Y H > S+ 0 0 32 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.937 115.1 49.3 -57.1 -49.8 2.2 23.0 13.1 105 105 A I H X S+ 0 0 32 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.919 110.4 51.2 -57.7 -46.4 -0.2 26.0 13.6 106 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.886 109.5 49.1 -59.4 -38.9 -2.4 23.9 15.9 107 107 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.945 111.0 49.3 -72.0 -42.1 0.5 22.8 18.1 108 108 A V H X S+ 0 0 40 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 112.2 50.3 -57.9 -46.6 1.8 26.4 18.5 109 109 A K H X S+ 0 0 80 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.871 110.2 48.3 -59.2 -41.3 -1.8 27.5 19.4 110 110 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.861 106.5 56.3 -69.9 -34.0 -2.1 24.8 22.0 111 111 A I H <>S+ 0 0 7 -4,-2.4 5,-2.4 1,-0.2 -2,-0.2 0.947 114.9 40.7 -59.7 -47.3 1.2 25.6 23.6 112 112 A E H ><5S+ 0 0 145 -4,-1.9 3,-1.9 -5,-0.2 -2,-0.2 0.943 112.1 54.5 -64.4 -49.1 -0.1 29.2 24.0 113 113 A K H 3<5S+ 0 0 143 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.9 42.3 -54.5 -42.9 -3.7 28.1 25.0 114 114 A Y T 3<5S- 0 0 72 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.337 108.2-126.8 -87.4 6.1 -2.3 26.0 27.9 115 115 A H T < 5 - 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0 0 101 -6,-0.4 -1,-0.3 -5,-0.0 -2,-0.2 -0.974 58.2-147.5-129.9 145.9 28.9 3.7 77.4 1066 254 D R - 0 0 192 -2,-0.4 3,-0.1 -3,-0.1 2,-0.1 -0.944 17.4-144.1-111.7 108.8 25.9 4.8 75.4 1067 255 D P - 0 0 7 0, 0.0 -7,-0.0 0, 0.0 -228,-0.0 -0.399 32.0 -96.5 -67.4 152.3 23.5 7.1 77.3 1068 256 D S > - 0 0 67 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.243 29.8-112.9 -62.3 157.7 19.8 6.7 76.5 1069 257 D D H > S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 118.6 54.9 -56.6 -38.3 18.2 9.0 74.0 1070 258 D E H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 108.9 45.7 -61.8 -47.2 16.2 10.6 76.8 1071 259 D L H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.891 110.8 54.0 -67.1 -36.5 19.3 11.4 78.9 1072 260 D I H X S+ 0 0 18 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.952 109.9 46.7 -59.2 -48.7 21.1 12.8 75.8 1073 261 D A H X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.925 114.2 48.4 -64.1 -40.4 18.2 15.2 75.1 1074 262 D E H X S+ 0 0 79 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.928 112.4 47.4 -59.9 -50.3 18.0 16.2 78.8 1075 263 D A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.917 113.4 49.7 -58.8 -44.8 21.8 16.8 78.9 1076 264 D A H X S+ 0 0 11 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.951 110.4 48.9 -58.7 -49.4 21.6 18.8 75.7 1077 265 D A H X S+ 0 0 64 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.895 114.5 45.8 -60.7 -38.9 18.7 21.0 76.9 1078 266 D F H >X S+ 0 0 103 -4,-2.3 3,-1.2 -5,-0.2 4,-0.6 0.937 111.5 51.8 -67.8 -45.6 20.5 21.7 80.2 1079 267 D A H >< S+ 0 0 4 -4,-2.6 3,-0.9 1,-0.3 -2,-0.2 0.856 101.7 61.5 -63.3 -33.3 23.8 22.4 78.5 1080 268 D R H 3< S+ 0 0 118 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.783 96.4 61.8 -63.7 -26.8 22.1 24.9 76.1 1081 269 D T H << 0 0 103 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.780 360.0 360.0 -69.8 -27.8 21.1 27.1 79.1 1082 270 D K << 0 0 140 -3,-0.9 -1,-0.2 -4,-0.6 -248,-0.1 -0.872 360.0 360.0-178.6 360.0 24.6 27.9 80.3