==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-MAY-09 3HDJ . COMPND 2 MOLECULE: PROBABLE ORNITHINE CYCLODEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR K.TAN,A.SATHER,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 622 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.6 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 . 27 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 3 2 6 0 0 0 2 0 2 0 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 8 2 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 . 0 0 0 1 1 0 0 2 0 4 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 2 0 2 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 0 A A 0 0 100 0, 0.0 2,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 140.3 12.7 33.5 27.8 2 1 A X - 0 0 25 312,-0.3 89,-0.1 1,-0.1 88,-0.1 -0.481 360.0 -86.5 -69.2 153.7 12.5 31.1 24.8 3 2 A L E -a 91 0A 63 87,-0.5 89,-2.7 -2,-0.1 2,-0.5 -0.372 46.3-155.0 -57.9 134.7 10.2 32.1 21.9 4 3 A H E -a 92 0A 29 87,-0.2 2,-0.7 -3,-0.1 89,-0.2 -0.987 7.4-156.1-118.4 123.8 6.7 30.8 22.6 5 4 A I E -a 93 0A 1 87,-3.0 89,-2.9 -2,-0.5 2,-0.1 -0.871 21.5-161.1 -95.7 116.2 4.2 30.1 19.8 6 5 A D > - 0 0 62 -2,-0.7 4,-2.2 87,-0.2 3,-0.3 -0.483 32.3 -99.4 -98.3 171.4 0.7 30.4 21.2 7 6 A D H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.862 121.9 54.0 -55.3 -41.0 -2.6 29.1 19.9 8 7 A A H > S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 108.4 50.1 -64.3 -37.6 -3.6 32.5 18.4 9 8 A X H > S+ 0 0 22 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.929 111.3 48.3 -63.7 -42.8 -0.3 32.5 16.5 10 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.908 104.9 60.0 -62.2 -42.8 -1.0 29.0 15.2 11 10 A E H < S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.1 34.5 -54.6 -41.6 -4.6 30.0 14.2 12 11 A D H < S+ 0 0 146 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.770 119.8 48.7 -83.3 -30.3 -3.2 32.6 11.9 13 12 A A H < S+ 0 0 5 -4,-2.1 2,-0.5 -5,-0.2 -2,-0.2 0.743 104.4 55.4 -84.8 -25.0 -0.0 30.8 10.7 14 13 A V < - 0 0 1 -4,-2.2 -1,-0.1 -5,-0.1 87,-0.0 -0.945 62.1-165.0-122.7 113.8 -1.3 27.4 9.7 15 14 A T > - 0 0 76 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.594 34.5-113.1 -86.5 157.8 -4.1 26.7 7.2 16 15 A P H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.914 118.2 49.5 -55.3 -42.8 -5.7 23.3 7.0 17 16 A Q H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.901 110.3 49.1 -70.3 -36.7 -4.3 22.7 3.6 18 17 A A H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 110.4 52.8 -60.2 -42.5 -0.8 23.7 4.6 19 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.927 108.3 50.2 -59.9 -44.8 -1.2 21.3 7.6 20 19 A Q H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.921 111.8 47.7 -60.7 -42.6 -2.2 18.5 5.2 21 20 A E H X S+ 0 0 142 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.896 113.3 47.7 -63.9 -42.7 0.9 19.1 3.0 22 21 A V H X S+ 0 0 15 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.911 115.1 44.5 -68.1 -42.9 3.3 19.3 5.9 23 22 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.880 110.7 54.5 -71.2 -38.9 1.9 16.1 7.5 24 23 A H H X S+ 0 0 59 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.953 111.6 45.1 -57.9 -48.7 1.8 14.3 4.1 25 24 A A H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.878 111.6 51.3 -63.3 -39.4 5.5 15.0 3.6 26 25 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.912 110.3 49.7 -66.1 -44.5 6.5 14.1 7.2 27 26 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.892 108.8 52.2 -61.9 -36.6 4.7 10.7 6.8 28 27 A L H X S+ 0 0 35 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.941 109.7 49.3 -65.0 -41.0 6.4 10.0 3.5 29 28 A D H <>S+ 0 0 22 -4,-2.2 5,-2.5 1,-0.2 6,-0.8 0.910 110.3 51.2 -59.3 -44.8 9.8 10.7 5.2 30 29 A F H ><5S+ 0 0 15 -4,-2.4 3,-1.2 4,-0.2 -2,-0.2 0.915 108.7 51.0 -58.8 -43.7 8.7 8.3 8.1 31 30 A G H 3<5S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.4 49.3 -64.2 -31.1 7.8 5.6 5.5 32 31 A R T 3<5S- 0 0 159 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.465 115.8-117.3 -84.5 -5.2 11.3 6.0 3.8 33 32 A G T < 5S+ 0 0 59 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.655 85.5 115.7 74.8 17.9 13.0 5.8 7.3 34 33 A S S S+B 48 0A 7 3,-2.0 3,-2.3 -2,-0.3 301,-0.1 -0.954 72.8 6.6-156.2 144.9 2.9 9.0 40.9 46 45 A G T 3 S- 0 0 67 -2,-0.3 3,-0.1 1,-0.3 300,-0.0 0.774 128.8 -58.6 56.8 30.4 0.5 10.5 43.4 47 46 A G T 3 S+ 0 0 41 1,-0.2 2,-0.5 24,-0.0 25,-0.5 0.558 113.4 117.1 75.1 9.0 -2.3 10.7 40.8 48 47 A V E < -BC 45 71A 7 -3,-2.3 -3,-2.0 23,-0.1 2,-0.3 -0.949 47.4-163.2-110.7 124.4 -0.2 12.9 38.5 49 48 A K E -BC 44 70A 78 21,-2.6 21,-2.0 -2,-0.5 2,-0.4 -0.834 5.2-165.5-104.3 145.1 0.8 11.5 35.1 50 49 A L E -BC 43 69A 0 -7,-3.1 -7,-2.8 -2,-0.3 2,-0.3 -1.000 11.9-174.2-125.4 129.7 3.6 12.8 32.9 51 50 A S E -BC 42 68A 3 17,-2.7 17,-2.0 -2,-0.4 2,-0.3 -0.942 4.7-173.2-123.7 147.5 3.7 11.7 29.2 52 51 A T E +BC 41 67A 0 -11,-2.2 -11,-2.2 -2,-0.3 2,-0.3 -0.987 13.4 152.2-135.8 152.6 6.2 12.3 26.4 53 52 A L E + C 0 66A 0 13,-1.6 13,-2.6 -2,-0.3 2,-0.3 -0.932 14.5 145.1-158.2 169.9 6.4 11.6 22.7 54 53 A G E -BC 38 65A 0 -16,-1.2 -16,-2.6 -2,-0.3 2,-0.3 -0.982 26.0-126.3 179.2-161.8 8.2 13.3 19.9 55 54 A A E -BC 37 64A 0 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -0.994 11.2-133.8-166.3 159.5 10.1 13.0 16.6 56 55 A V E +BC 36 63A 0 -20,-2.6 -20,-2.3 -2,-0.3 7,-0.2 -0.995 25.9 171.4-124.7 121.4 13.2 13.7 14.6 57 56 A I E > > + C 0 62A 0 5,-2.8 3,-2.2 -2,-0.5 5,-1.6 -0.660 6.0 169.9-133.3 74.7 12.4 15.1 11.1 58 57 A P G > 5S+ 0 0 40 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.813 75.0 67.7 -63.6 -28.7 15.7 16.2 9.5 59 58 A G G 3 5S+ 0 0 58 -25,-0.4 -24,-0.1 1,-0.3 -33,-0.0 0.641 109.3 36.5 -60.5 -20.4 14.0 16.7 6.1 60 59 A Q G < 5S- 0 0 29 -3,-2.2 -1,-0.3 2,-0.2 3,-0.1 0.181 116.9-115.5-117.9 11.9 12.0 19.5 7.6 61 60 A G T < 5S+ 0 0 20 -3,-1.3 23,-2.2 -4,-0.3 24,-0.6 0.648 77.7 101.3 70.3 18.6 14.9 20.7 9.7 62 61 A V E < -CD 57 83A 3 -5,-1.6 -5,-2.8 21,-0.3 2,-0.3 -0.923 41.7-177.9-135.3 156.5 13.3 20.0 13.1 63 62 A A E +CD 56 82A 0 19,-2.0 19,-3.4 -2,-0.3 2,-0.3 -0.957 26.5 146.9-142.2 158.2 13.2 17.6 16.1 64 63 A G E -CD 55 81A 0 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.3 -0.994 32.0-130.6-176.5 175.6 10.9 17.9 19.1 65 64 A A E -CD 54 80A 0 15,-1.8 15,-3.0 -2,-0.3 2,-0.5 -0.989 10.1-143.3-143.0 148.8 8.8 16.5 21.9 66 65 A K E -CD 53 79A 6 -13,-2.6 -13,-1.6 -2,-0.3 2,-0.4 -0.972 24.3-176.3-110.1 131.2 5.4 17.0 23.3 67 66 A V E +CD 52 78A 0 11,-3.1 11,-2.3 -2,-0.5 2,-0.3 -0.979 7.5 167.8-129.0 138.6 5.3 16.7 27.0 68 67 A Y E -CD 51 77A 5 -17,-2.0 -17,-2.7 -2,-0.4 2,-0.3 -1.000 28.5-131.4-154.3 149.3 2.1 16.9 29.1 69 68 A T E -CD 50 76A 1 7,-2.0 7,-1.7 -2,-0.3 2,-0.4 -0.726 14.3-157.0 -92.0 150.0 0.6 16.3 32.5 70 69 A T E +CD 49 75A 11 -21,-2.0 -21,-2.6 -2,-0.3 2,-0.4 -0.994 18.4 167.2-123.0 123.4 -2.6 14.4 33.1 71 70 A I E > S-CD 48 74A 31 3,-2.3 3,-2.0 -2,-0.4 -23,-0.1 -0.984 74.5 -14.4-135.8 124.6 -4.5 15.1 36.4 72 71 A K T 3 S- 0 0 198 -25,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.893 129.7 -54.5 49.0 43.1 -8.1 13.9 36.9 73 72 A G T 3 S+ 0 0 33 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.518 112.9 119.3 73.3 5.2 -8.3 13.3 33.2 74 73 A Q E < -D 71 0A 142 -3,-2.0 -3,-2.3 2,-0.0 2,-0.3 -0.869 50.5-145.8-107.0 144.5 -7.3 16.8 32.2 75 74 A F E -D 70 0A 67 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.788 14.6-170.4-113.4 142.5 -4.2 17.6 30.1 76 75 A Q E -D 69 0A 73 -7,-1.7 -7,-2.0 -2,-0.3 2,-0.3 -0.985 24.0-163.6-130.6 122.3 -1.7 20.4 30.1 77 76 A F E -D 68 0A 61 -2,-0.4 2,-0.4 -9,-0.2 18,-0.3 -0.773 20.8-177.7-113.1 146.1 0.7 20.3 27.1 78 77 A V E -D 67 0A 6 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.5 -0.983 11.5-159.3-134.7 130.8 4.0 21.9 26.0 79 78 A I E -DE 66 93A 0 14,-2.0 14,-1.9 -2,-0.4 2,-0.5 -0.934 9.6-162.2-103.0 133.3 5.6 21.2 22.6 80 79 A L E -DE 65 92A 0 -15,-3.0 -15,-1.8 -2,-0.5 2,-0.4 -0.983 4.8-159.6-120.5 126.0 9.4 21.9 22.5 81 80 A L E -DE 64 91A 5 10,-2.8 9,-3.4 -2,-0.5 10,-1.2 -0.852 7.9-174.0-109.5 137.9 11.1 22.4 19.1 82 81 A F E -DE 63 89A 0 -19,-3.4 -19,-2.0 -2,-0.4 2,-0.4 -0.934 31.5-106.0-123.8 154.9 14.8 22.0 18.3 83 82 A S E > -D 62 0A 0 5,-2.9 4,-1.6 -2,-0.3 -21,-0.3 -0.648 17.9-157.2 -71.7 128.7 16.8 22.7 15.1 84 83 A A T 4 S+ 0 0 10 -23,-2.2 -22,-0.2 -2,-0.4 -1,-0.1 0.669 91.1 61.6 -77.0 -16.8 17.9 19.4 13.4 85 84 A A T 4 S+ 0 0 77 -24,-0.6 -1,-0.2 226,-0.2 -23,-0.1 0.890 129.6 1.6 -76.7 -41.3 20.7 21.4 11.7 86 85 A D T 4 S- 0 0 88 225,-0.3 -2,-0.2 2,-0.1 297,-0.1 0.364 93.0-119.9-129.9 1.8 22.6 22.4 14.9 87 86 A G < + 0 0 1 -4,-1.6 294,-0.3 1,-0.2 -3,-0.1 0.394 61.6 143.9 86.2 -5.2 20.5 20.8 17.7 88 87 A R - 0 0 58 223,-0.2 -5,-2.9 -6,-0.1 -1,-0.2 -0.356 58.1-104.2 -76.1 148.6 19.7 24.1 19.4 89 88 A P E - E 0 82A 32 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.490 37.8-179.4 -68.0 142.2 16.3 24.7 21.1 90 89 A L E - 0 0 9 -9,-3.4 -87,-0.5 1,-0.4 2,-0.3 0.804 48.8 -34.0-107.6 -44.3 14.1 26.9 18.9 91 90 A A E -aE 3 81A 1 -10,-1.2 -10,-2.8 -89,-0.1 -1,-0.4 -0.985 42.7-118.1-171.1 156.8 10.7 27.5 20.7 92 91 A T E -aE 4 80A 0 -89,-2.7 -87,-3.0 -2,-0.3 2,-0.4 -0.749 34.3-161.6-103.3 160.2 8.0 26.2 22.9 93 92 A C E -aE 5 79A 3 -14,-1.9 -14,-2.0 -2,-0.3 -87,-0.2 -0.996 19.9-117.3-147.0 134.6 4.5 25.9 21.4 94 93 A D - 0 0 43 -89,-2.9 4,-0.2 -2,-0.4 -16,-0.1 -0.387 20.2-152.8 -62.2 153.7 0.9 25.6 22.6 95 94 A A S > S+ 0 0 4 -18,-0.3 4,-2.6 3,-0.1 5,-0.2 0.643 70.5 82.9-106.7 -15.0 -0.8 22.3 21.6 96 95 A G H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.960 100.6 28.6 -60.6 -62.9 -4.5 23.2 21.5 97 96 A T H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.917 120.4 56.1 -67.9 -39.1 -5.1 24.8 18.1 98 97 A L H > S+ 0 0 1 -4,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.912 108.7 47.2 -58.6 -45.1 -2.3 22.9 16.6 99 98 A T H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.893 109.3 54.2 -66.7 -36.7 -3.9 19.6 17.7 100 99 A R H X S+ 0 0 37 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.954 115.3 38.6 -61.7 -49.5 -7.3 20.7 16.4 101 100 A K H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 116.6 52.3 -65.5 -43.4 -5.9 21.4 12.9 102 101 A R H X S+ 0 0 12 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.883 106.5 51.3 -62.2 -45.6 -3.6 18.4 13.0 103 102 A T H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.945 115.0 41.8 -63.4 -47.0 -6.2 15.8 13.8 104 103 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.885 112.2 55.2 -66.4 -37.5 -8.6 16.9 11.1 105 104 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.908 109.6 46.7 -63.2 -41.1 -5.7 17.3 8.6 106 105 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.893 111.6 51.2 -68.7 -37.0 -4.6 13.6 9.2 107 106 A T H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.902 110.6 49.5 -63.3 -42.8 -8.2 12.5 8.9 108 107 A V H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.901 108.9 51.8 -62.5 -39.3 -8.5 14.3 5.6 109 108 A L H X S+ 0 0 21 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.950 115.2 42.6 -61.9 -45.3 -5.2 12.8 4.3 110 109 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.933 116.4 45.8 -68.6 -47.2 -6.6 9.3 5.2 111 110 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.879 107.5 58.8 -63.2 -39.8 -10.1 9.9 3.8 112 111 A G H < S+ 0 0 23 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.903 116.3 35.5 -54.4 -40.0 -8.7 11.5 0.6 113 112 A A H < S+ 0 0 53 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.793 132.7 24.1 -82.8 -29.1 -6.9 8.2 -0.0 114 113 A L H < S+ 0 0 4 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.648 96.8 85.1-121.7 -22.1 -9.4 5.7 1.3 115 114 A A S < S- 0 0 5 -4,-2.6 90,-0.1 -5,-0.3 69,-0.1 -0.439 93.8 -83.4 -77.3 161.4 -13.0 7.0 1.3 116 115 A R > - 0 0 49 88,-0.5 3,-2.2 67,-0.3 -1,-0.1 -0.429 38.4-129.8 -62.3 131.0 -15.1 6.8 -1.8 117 116 A P T 3 S+ 0 0 97 0, 0.0 26,-0.4 0, 0.0 -1,-0.1 0.876 107.1 48.8 -53.3 -35.9 -14.2 9.8 -4.1 118 117 A R T 3 S+ 0 0 204 24,-0.1 -2,-0.1 65,-0.0 24,-0.0 0.221 77.4 150.9 -93.4 18.6 -17.9 10.7 -4.5 119 118 A S < + 0 0 1 -3,-2.2 24,-0.3 1,-0.1 3,-0.1 -0.208 12.1 168.1 -45.1 133.0 -18.7 10.6 -0.8 120 119 A S + 0 0 28 1,-0.2 25,-3.6 24,-0.1 26,-1.5 0.491 51.6 67.6-131.5 -14.0 -21.5 13.1 -0.1 121 120 A V E -f 146 0B 27 23,-0.2 62,-2.2 24,-0.2 63,-1.7 -0.965 58.8-167.6-117.4 119.9 -22.8 12.3 3.4 122 121 A L E -fg 147 184B 0 24,-2.2 26,-3.0 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4,-2.8 2,-0.2 5,-0.2 0.929 112.7 49.4 -62.2 -45.4 6.2 24.5 9.9 298 297 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.921 110.6 50.6 -60.3 -43.0 4.6 27.2 12.2 299 298 A Y H X S+ 0 0 3 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.943 111.8 47.6 -58.2 -49.1 8.0 28.2 13.6 300 299 A R H X S+ 0 0 93 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.905 115.1 45.2 -61.8 -44.1 9.4 28.5 10.0 301 300 A R H X S+ 0 0 126 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.921 115.8 45.1 -67.0 -44.8 6.4 30.6 8.8 302 301 A L H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.2 6,-0.2 0.901 110.9 55.1 -68.0 -37.5 6.4 32.8 11.9 303 302 A A H X>S+ 0 0 7 -4,-3.1 4,-1.9 -5,-0.3 5,-1.3 0.935 108.3 47.4 -57.6 -48.4 10.2 33.2 11.7 304 303 A A H <5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.2 46.2 -58.9 -40.8 10.0 34.5 8.1 305 304 A Q H <5S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.832 125.0 29.6 -68.9 -35.2 7.2 36.8 9.1 306 305 A R H <5S- 0 0 123 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.397 106.2-108.4-114.1 0.9 8.9 38.1 12.3 307 306 A G T <5 + 0 0 70 -4,-1.9 -3,-0.2 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121.7 15.9 29.5 33.7 318 5 B D > - 0 0 58 -2,-0.5 4,-1.9 87,-0.2 5,-0.1 -0.364 32.2 -99.7 -97.8 175.6 19.2 29.7 32.0 319 6 B D H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.902 121.9 53.6 -61.5 -40.6 22.6 28.1 32.6 320 7 B A H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.862 107.0 52.9 -63.2 -36.2 24.0 31.2 34.4 321 8 B X H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 110.2 46.5 -66.3 -41.1 21.0 31.2 36.7 322 9 B I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 107.1 57.7 -65.1 -42.2 21.6 27.6 37.7 323 10 B E H < S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.5 36.6 -53.8 -40.6 25.3 28.3 38.2 324 11 B D H < S+ 0 0 146 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.707 120.5 44.2 -85.8 -19.7 24.3 31.0 40.8 325 12 B A H < S+ 0 0 6 -4,-1.6 2,-0.6 1,-0.2 -2,-0.2 0.681 104.6 61.4-100.3 -20.1 21.3 29.3 42.4 326 13 B V < - 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 284,-0.0 -0.899 59.7-169.1-122.7 108.0 22.4 25.8 42.9 327 14 B T > - 0 0 70 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.537 35.1-115.5 -84.2 160.2 25.4 24.9 45.1 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