==== 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 PHOTOSYNTHETIC REACTION CENTER 09-MAR-98 1MPS . COMPND 2 MOLECULE: PHOTOSYNTHETIC REACTION CENTER; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR K.E.MCAULEY-HECHT,P.K.FYFE,J.P.RIDGE,S.PRINCE,C.N.HUNTER,N.W . 823 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 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 . 33 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 5 1 2 2 0 0 0 1 1 0 2 0 0 3 0 0 0 0 0 1 2 2 2 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 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 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 L A 0 0 29 0, 0.0 2,-0.3 0, 0.0 618,-0.2 0.000 360.0 360.0 360.0 153.7 2.3 93.5 61.7 2 2 L L B -A 618 0A 5 616,-2.8 616,-2.9 614,-0.1 623,-0.1 -0.864 360.0-103.5-125.8 157.6 0.9 96.6 59.9 3 3 L L > - 0 0 1 -2,-0.3 3,-1.8 614,-0.2 4,-0.5 -0.452 48.8 -99.3 -72.1 158.0 2.2 100.0 58.9 4 4 L S T 3 S+ 0 0 12 610,-2.7 652,-0.2 1,-0.3 -1,-0.1 0.746 122.9 35.0 -51.6 -28.1 0.9 102.8 61.2 5 5 L F T 3 S+ 0 0 7 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.311 94.2 94.5-110.8 8.1 -1.8 103.8 58.6 6 6 L E X> + 0 0 0 -3,-1.8 3,-2.1 1,-0.2 4,-0.9 0.832 60.7 75.3 -73.1 -37.9 -2.6 100.4 57.2 7 7 L R G >4 S+ 0 0 77 -4,-0.5 3,-1.6 1,-0.3 666,-0.2 0.864 88.5 59.1 -46.0 -51.5 -5.7 99.1 59.1 8 8 L K G 34 S+ 0 0 3 1,-0.3 677,-2.6 -3,-0.2 -1,-0.3 0.700 106.2 51.2 -55.0 -20.4 -8.3 101.4 57.5 9 9 L Y G <4 S+ 0 0 2 -3,-2.1 2,-2.4 -4,-0.2 -1,-0.3 0.711 85.0 88.2 -90.0 -21.6 -7.4 99.9 54.1 10 10 L R << + 0 0 1 -3,-1.6 663,-2.6 -4,-0.9 -1,-0.2 -0.274 59.5 138.2 -76.4 58.6 -7.7 96.2 55.2 11 11 L V - 0 0 0 -2,-2.4 2,-0.2 661,-0.2 663,-0.2 -0.490 57.1 -98.8 -97.9 163.1 -11.4 95.9 54.4 12 12 L P S S+ 0 0 50 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.527 75.5 57.0 -80.6 157.4 -13.1 92.9 52.7 13 13 L G + 0 0 23 -2,-0.2 97,-0.1 6,-0.1 -2,-0.1 -0.337 45.9 95.2 112.7 164.7 -13.9 92.9 49.0 14 14 L G + 0 0 12 1,-0.3 95,-0.2 95,-0.1 96,-0.2 0.331 52.6 141.8 97.8 -6.3 -12.3 93.3 45.6 15 15 L T - 0 0 27 1,-0.1 -1,-0.3 4,-0.1 3,-0.1 -0.413 40.8-158.0 -72.8 142.7 -11.7 89.6 44.9 16 16 L L S S+ 0 0 74 1,-0.2 2,-0.3 86,-0.1 -1,-0.1 0.772 76.8 24.5 -86.4 -33.8 -12.2 88.3 41.4 17 17 L V S S+ 0 0 65 2,-0.1 16,-0.4 1,-0.1 5,-0.3 -0.974 116.8 15.3-137.7 146.6 -12.7 84.6 42.4 18 18 L G S > S- 0 0 37 -2,-0.3 3,-1.9 -3,-0.1 5,-0.2 0.547 82.5-130.5 74.6 7.8 -14.0 82.7 45.4 19 19 L G T 3 S- 0 0 41 1,-0.3 3,-0.3 2,-0.1 -6,-0.1 -0.233 77.7 -10.7 54.4-121.6 -15.5 85.6 47.3 20 20 L N T > S+ 0 0 141 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.567 109.9 97.2 -88.5 -10.4 -14.4 85.8 50.9 21 21 L L T < S+ 0 0 117 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.857 100.8 17.8 -46.8 -51.0 -12.7 82.3 51.0 22 22 L F T 3 S+ 0 0 56 -3,-0.3 2,-2.4 -5,-0.3 10,-2.2 0.246 87.9 126.1-110.2 15.1 -9.1 83.6 50.3 23 23 L D < + 0 0 6 -3,-0.9 2,-0.3 -5,-0.2 -1,-0.1 -0.412 51.8 92.8 -75.6 73.0 -9.7 87.2 51.3 24 24 L F - 0 0 54 -2,-2.4 7,-2.5 647,-0.1 2,-0.3 -0.942 62.9-119.0-154.9 173.9 -6.9 87.4 53.9 25 25 L W E -C 30 0B 7 645,-3.1 2,-0.4 -2,-0.3 5,-0.2 -0.815 2.0-156.6-118.7 161.7 -3.2 88.3 54.6 26 26 L V E > S-C 29 0B 90 3,-2.6 3,-1.5 -2,-0.3 644,-0.1 -0.928 77.3 -46.5-137.0 99.3 -0.1 86.5 55.8 27 27 L G T 3 S- 0 0 33 -2,-0.4 512,-0.0 1,-0.3 509,-0.0 -0.526 123.7 -25.2 68.9-134.0 2.2 89.0 57.3 28 28 L P T 3 S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.697 119.1 101.2 -83.4 -16.3 2.4 91.9 54.7 29 29 L F E < -C 26 0B 98 -3,-1.5 -3,-2.6 509,-0.1 2,-0.2 -0.478 64.6-144.4 -75.1 129.2 1.4 89.5 51.8 30 30 L Y E -C 25 0B 3 506,-2.5 -5,-0.2 -2,-0.3 -7,-0.1 -0.603 14.6-165.6 -85.5 150.0 -2.1 89.5 50.5 31 31 L V + 0 0 22 -7,-2.5 4,-0.3 -9,-0.3 -1,-0.2 0.752 18.8 156.2-100.3 -86.8 -3.3 86.1 49.5 32 32 L G >> - 0 0 0 -10,-2.2 4,-1.4 -8,-0.3 3,-0.8 -0.001 67.9 -68.3 76.5 166.8 -6.5 85.8 47.4 33 33 L F H >> S+ 0 0 75 -16,-0.4 4,-2.1 1,-0.3 3,-0.6 0.941 138.4 50.3 -56.4 -48.1 -7.3 82.9 45.1 34 34 L F H 3> S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.633 101.5 63.0 -68.2 -13.8 -4.5 83.9 42.7 35 35 L G H <> S+ 0 0 15 -3,-0.8 4,-1.9 -4,-0.3 -1,-0.3 0.887 107.6 43.0 -75.0 -39.4 -2.1 84.0 45.7 36 36 L V H S+ 0 0 0 -4,-1.4 5,-2.5 2,-0.2 4,-1.0 0.874 106.8 48.8 -62.4 -38.2 19.0 68.3 38.9 54 54 L V H ><5S+ 0 0 88 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.972 112.5 46.9 -65.4 -53.3 19.0 64.7 40.0 55 55 L L H 3<5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.786 113.0 50.0 -58.3 -33.0 18.5 63.4 36.4 56 56 L Q H 3<5S- 0 0 77 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.690 112.7-124.0 -78.9 -21.3 21.3 65.9 35.2 57 57 L G T <<5S+ 0 0 64 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.792 72.9 96.5 83.1 30.9 23.5 64.6 38.0 58 58 L T < - 0 0 35 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.969 45.0-173.9-147.1 158.5 24.3 67.9 39.7 59 59 L W + 0 0 170 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.280 53.8 117.8-131.1 1.5 23.1 70.0 42.6 60 60 L N >> - 0 0 73 1,-0.1 4,-2.2 -7,-0.1 3,-1.5 -0.602 62.8-139.1 -78.6 127.9 25.3 73.1 41.8 61 61 L P T 34 S+ 0 0 90 0, 0.0 89,-0.5 0, 0.0 -1,-0.1 0.760 103.2 49.9 -53.7 -35.5 23.2 76.2 41.1 62 62 L Q T 34 S+ 0 0 114 1,-0.1 89,-0.4 88,-0.1 90,-0.2 0.616 114.1 45.6 -82.0 -14.0 25.6 77.3 38.3 63 63 L L T <4 S+ 0 0 91 -3,-1.5 -1,-0.1 88,-0.1 2,-0.0 0.767 83.8 101.4 -98.5 -32.8 25.4 73.9 36.7 64 64 L I < + 0 0 29 -4,-2.2 86,-0.5 2,-0.0 2,-0.3 -0.329 44.8 162.6 -58.7 130.5 21.7 73.1 36.7 65 65 L S - 0 0 6 84,-0.2 2,-0.7 -13,-0.1 84,-0.3 -0.944 29.2-152.4-154.1 126.5 20.2 73.7 33.3 66 66 L V B -D 148 0C 6 82,-1.6 82,-2.2 -2,-0.3 16,-0.1 -0.892 21.2-158.4-106.5 104.6 16.9 72.5 31.9 67 67 L Y - 0 0 129 -2,-0.7 16,-0.5 80,-0.2 19,-0.4 -0.543 13.8-119.4 -85.0 148.1 17.1 72.2 28.1 68 68 L P - 0 0 20 0, 0.0 16,-0.1 0, 0.0 75,-0.1 -0.242 50.7 -67.3 -76.0 168.3 14.1 72.2 25.7 69 69 L P - 0 0 1 0, 0.0 14,-0.2 0, 0.0 5,-0.0 -0.264 61.8-101.9 -56.8 143.9 13.3 69.3 23.4 70 70 L A > - 0 0 47 12,-0.4 3,-2.3 1,-0.1 4,-0.3 -0.374 37.6-100.7 -66.0 150.6 15.9 68.8 20.6 71 71 L L G > S+ 0 0 84 1,-0.3 3,-1.8 72,-0.2 -1,-0.1 0.759 118.0 70.7 -41.6 -33.9 14.9 70.1 17.2 72 72 L E G 3 S+ 0 0 166 1,-0.3 -1,-0.3 69,-0.1 -2,-0.0 0.819 88.2 60.5 -56.9 -36.7 14.0 66.6 16.1 73 73 L Y G X S- 0 0 96 -3,-2.3 3,-1.9 1,-0.2 -1,-0.3 0.483 88.1-166.0 -72.7 -3.8 10.9 66.4 18.4 74 74 L G T < - 0 0 21 -3,-1.8 68,-1.7 -4,-0.3 69,-0.3 -0.203 60.7 -27.8 55.7-136.1 9.3 69.3 16.5 75 75 L L T 3 S+ 0 0 80 66,-0.2 -1,-0.3 65,-0.2 66,-0.1 -0.041 118.7 98.5-100.4 29.1 6.3 70.9 18.3 76 76 L G S < S- 0 0 34 -3,-1.9 2,-0.2 1,-0.1 66,-0.1 -0.248 81.9 -70.6-103.6-167.0 5.5 67.6 19.9 77 77 L G - 0 0 61 -2,-0.1 -1,-0.1 10,-0.0 7,-0.1 -0.611 42.1-162.0 -89.5 148.5 6.1 66.0 23.3 78 78 L A - 0 0 17 -2,-0.2 5,-0.1 5,-0.1 9,-0.1 -0.874 31.8 -86.3-126.9 157.8 9.5 64.8 24.5 79 79 L P > > - 0 0 66 0, 0.0 3,-2.5 0, 0.0 5,-2.4 -0.336 41.3-114.4 -62.0 146.0 10.7 62.5 27.3 80 80 L L G > >S+ 0 0 76 1,-0.3 5,-1.6 4,-0.3 3,-0.6 0.904 114.4 59.5 -44.4 -53.0 11.0 64.1 30.7 81 81 L A G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.1 2,-0.0 0.517 118.7 28.8 -58.6 -7.8 14.8 63.5 30.8 82 82 L K G < 5S- 0 0 131 -3,-2.5 -12,-0.4 -16,-0.1 -1,-0.3 -0.422 140.7 -28.4-157.6 75.4 15.2 65.6 27.6 83 83 L G T <>5S+ 0 0 3 -3,-0.6 4,-2.5 -16,-0.5 -3,-0.2 -0.101 112.2 88.6 111.8 -36.7 12.6 68.3 26.9 84 84 L G H > S+ 0 0 3 -19,-0.4 4,-2.2 -6,-0.3 -1,-0.2 0.939 107.3 52.6 -57.5 -48.5 11.2 71.9 30.3 87 87 L Q H X S+ 0 0 36 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.920 113.1 42.6 -55.8 -46.5 7.8 71.9 28.6 88 88 L I H X S+ 0 0 70 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.885 112.0 52.9 -69.8 -39.0 6.0 71.3 32.0 89 89 L I H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.851 107.9 54.1 -64.1 -31.6 8.1 73.9 33.9 90 90 L T H X S+ 0 0 15 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.889 107.6 48.2 -69.1 -39.8 7.2 76.3 31.1 91 91 L I H X S+ 0 0 111 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.954 113.5 48.9 -64.1 -44.3 3.5 75.7 31.6 92 92 L C H X S+ 0 0 7 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.870 110.5 50.3 -61.0 -40.4 4.2 76.2 35.4 93 93 L A H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.939 111.2 47.9 -64.3 -47.6 6.1 79.4 34.7 94 94 L T H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.908 113.1 49.5 -59.1 -44.0 3.2 80.8 32.5 95 95 L G H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.926 111.1 48.5 -62.0 -44.2 0.8 79.8 35.2 96 96 L A H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 113.8 46.7 -60.8 -50.0 2.8 81.5 37.9 97 97 L F H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.916 113.7 45.3 -60.6 -48.9 3.2 84.7 36.0 98 98 L V H X S+ 0 0 68 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.905 113.3 51.8 -65.5 -38.4 -0.5 85.1 34.9 99 99 L S H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.889 107.3 53.7 -63.5 -38.8 -1.6 84.3 38.4 100 100 L W H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.946 107.2 50.7 -60.7 -46.7 0.7 87.0 39.8 101 101 L A H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.885 111.4 47.3 -58.6 -43.1 -0.8 89.6 37.4 102 102 L L H X S+ 0 0 60 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.842 106.3 57.5 -69.9 -32.0 -4.3 88.7 38.5 103 103 L R H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.961 107.2 50.2 -61.0 -46.2 -3.3 88.8 42.2 104 104 L E H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.850 105.4 56.8 -59.8 -34.6 -2.2 92.4 41.5 105 105 L V H X S+ 0 0 29 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.911 107.5 47.4 -65.2 -41.2 -5.6 93.1 39.9 106 106 L E H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.889 109.6 52.8 -67.6 -38.0 -7.4 92.1 43.1 107 107 L I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.854 108.2 52.8 -65.3 -33.6 -5.0 94.2 45.2 108 108 L C H X>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.2 4,-0.9 0.949 107.8 50.1 -64.9 -51.3 -5.9 97.2 42.9 109 109 L R H ><5S+ 0 0 98 -4,-2.1 3,-0.9 -95,-0.2 -2,-0.2 0.919 110.1 49.0 -54.1 -49.2 -9.6 96.7 43.4 110 110 L K H 3<5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.894 116.5 43.0 -60.0 -40.9 -9.4 96.6 47.2 111 111 L L H 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.499 107.9-127.1 -83.8 -6.3 -7.3 99.8 47.2 112 112 L G T <<5 + 0 0 5 -4,-0.9 2,-0.2 -3,-0.9 -3,-0.2 0.835 61.2 137.0 64.4 34.4 -9.4 101.5 44.6 113 113 L I < - 0 0 6 -5,-2.0 -1,-0.2 -6,-0.2 395,-0.2 -0.646 58.2 -86.4-110.0 166.7 -6.5 102.3 42.3 114 114 L G - 0 0 1 393,-1.8 3,-0.3 -2,-0.2 -1,-0.1 -0.160 32.5-120.6 -63.0 167.2 -6.0 102.1 38.6 115 115 L Y S > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.181 74.7 117.5 -97.2 19.2 -4.9 98.9 36.8 116 116 L H H > S+ 0 0 7 387,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.829 70.7 53.9 -55.5 -40.4 -1.7 100.4 35.3 117 117 L I H > S+ 0 0 6 -3,-0.3 4,-2.5 386,-0.3 -1,-0.2 0.966 110.5 42.8 -63.7 -54.5 0.8 98.2 37.2 118 118 L P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 114.0 55.1 -57.2 -41.0 -0.7 94.8 36.2 119 119 L F H < S+ 0 0 123 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.896 109.2 46.1 -58.4 -43.0 -1.1 96.2 32.7 120 120 L A H >X S+ 0 0 11 -4,-2.2 3,-1.2 1,-0.2 4,-0.7 0.882 108.6 55.6 -69.0 -38.0 2.6 97.1 32.6 121 121 L F H >X S+ 0 0 57 -4,-2.5 4,-1.8 1,-0.2 3,-1.3 0.897 95.7 67.6 -61.8 -37.9 3.7 93.7 34.0 122 122 L A H 3X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.727 91.8 60.3 -55.1 -26.7 1.8 92.0 31.1 123 123 L F H <> S+ 0 0 49 -3,-1.2 4,-2.4 -4,-0.5 -1,-0.3 0.874 104.1 50.5 -69.9 -33.8 4.3 93.3 28.6 124 124 L A H S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 5,-2.0 0.826 105.0 60.3 -61.4 -32.8 6.0 84.1 25.9 130 130 L T H <>S+ 0 0 5 -4,-2.1 5,-2.3 -5,-0.2 -1,-0.2 0.910 110.1 41.6 -61.3 -40.3 7.6 85.5 22.7 131 131 L L H <5S+ 0 0 45 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.838 127.2 27.1 -78.3 -37.8 10.8 83.7 23.4 132 132 L V H <5S+ 0 0 1 -4,-2.0 -2,-0.2 13,-0.2 -3,-0.2 0.599 135.7 16.7-103.6 -11.4 9.5 80.3 24.7 133 133 L L T X5S+ 0 0 60 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.698 120.7 40.6-124.2 -65.1 6.2 80.0 22.9 134 134 L F H >S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 4,-0.5 0.904 111.6 48.0 -49.5 -47.9 9.3 78.4 18.7 137 137 L V H ><5S+ 0 0 67 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.927 112.3 48.1 -60.4 -45.7 5.8 77.6 17.3 138 138 L M H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.755 114.5 46.5 -66.9 -26.6 6.3 79.8 14.2 139 139 L M T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.417 115.8-120.3 -92.6 -2.4 9.7 78.2 13.6 140 140 L G T < 5S+ 0 0 34 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.650 78.1 77.6 75.0 19.2 8.1 74.8 14.1 141 141 L A > < - 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0 0 34 -3,-0.4 2,-0.2 -2,-0.2 -3,-0.1 -0.125 25.1-168.7 -47.5 130.0 1.5 112.3 53.2 524 242 M G > - 0 0 0 -5,-0.1 4,-1.4 168,-0.1 3,-0.3 -0.575 41.9 -91.4-112.2-179.8 -1.8 111.8 51.5 525 243 M T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.768 122.4 66.2 -64.1 -23.8 -3.9 108.7 50.7 526 244 M A H > S+ 0 0 0 -15,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.970 103.6 43.4 -60.8 -51.1 -2.1 108.6 47.4 527 245 M A H > S+ 0 0 12 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.801 115.2 50.5 -64.2 -32.1 1.2 107.8 49.0 528 246 M E H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.939 111.0 45.7 -72.1 -49.8 -0.4 105.3 51.4 529 247 M R H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.873 112.1 53.0 -61.7 -38.0 -2.2 103.3 48.8 530 248 M A H X S+ 0 0 8 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.922 112.7 43.7 -63.6 -45.6 0.9 103.3 46.6 531 249 M A H X S+ 0 0 10 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.889 114.6 50.6 -66.6 -40.7 3.0 101.9 49.5 532 250 M L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.860 103.1 57.6 -68.8 -36.2 0.3 99.4 50.4 533 251 M F H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.967 113.7 41.4 -57.9 -49.1 -0.2 98.0 46.9 534 252 M W H X S+ 0 0 32 -4,-1.5 4,-2.9 2,-0.2 6,-0.5 0.912 112.3 51.7 -65.9 -43.6 3.5 97.1 47.0 535 253 M R H X S+ 0 0 14 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.899 112.4 47.4 -61.6 -39.5 3.7 95.8 50.5 536 254 M W H < S+ 0 0 0 -4,-2.4 -506,-2.5 -507,-0.2 -1,-0.2 0.795 117.3 44.1 -70.9 -29.1 0.8 93.5 49.9 537 255 M T H < S+ 0 0 1 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.924 134.8 6.6 -81.5 -51.0 2.3 92.3 46.6 538 256 M M H < S- 0 0 63 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.296 100.4-104.6-121.4 8.9 5.9 91.7 47.5 539 257 M G S < S+ 0 0 16 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.416 90.0 51.3 88.7 -6.6 6.2 92.2 51.2 540 258 M F - 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0 0 52 1,-0.1 4,-2.5 -99,-0.1 -1,-0.3 -0.776 63.1-165.7-154.8 102.9 40.9 87.8 28.2 576 294 M W H > S+ 0 0 0 -101,-2.8 4,-2.8 -2,-0.2 -100,-0.2 0.832 90.0 54.5 -61.5 -35.0 37.8 87.6 30.4 577 295 M Y H > S+ 0 0 110 -102,-0.3 4,-0.6 -101,-0.2 -1,-0.2 0.926 111.4 45.7 -63.8 -45.9 37.1 83.9 29.8 578 296 M V H >> S+ 0 0 74 2,-0.2 3,-1.4 1,-0.2 4,-1.3 0.951 114.2 48.6 -60.1 -50.0 40.7 83.1 30.9 579 297 M W H 3X S+ 0 0 27 -4,-2.5 4,-3.0 1,-0.3 5,-0.3 0.915 107.1 55.2 -57.0 -47.1 40.4 85.3 34.0 580 298 M G H 3< S+ 0 0 27 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.645 103.6 59.6 -62.8 -15.6 37.0 83.8 34.9 581 299 M Q H << S+ 0 0 124 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.916 124.8 11.1 -79.8 -47.9 38.7 80.4 34.9 582 300 M N H < S- 0 0 110 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.559 84.3-139.9-108.6 -8.8 41.4 80.9 37.5 583 301 M H < 0 0 119 -4,-3.0 -3,-0.1 -5,-0.3 -4,-0.1 0.756 360.0 360.0 53.8 27.7 40.3 84.3 39.0 584 302 M G 0 0 51 -5,-0.3 5,-0.1 4,-0.0 -5,-0.1 0.999 360.0 360.0 -72.2 360.0 44.0 85.2 39.2 585 !* 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 0.0 586 11 H D > 0 0 70 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-164.4 44.5 90.7 41.1 587 12 H L H > + 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.839 360.0 53.8 -58.7 -41.2 42.9 94.2 40.7 588 13 H A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.945 109.4 45.3 -62.2 -51.8 39.8 92.9 39.0 589 14 H S H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 114.3 52.1 -62.8 -29.8 38.9 90.3 41.7 590 15 H L H X S+ 0 0 104 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.949 110.0 48.4 -69.9 -46.2 39.6 93.1 44.2 591 16 H A H X S+ 0 0 28 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.927 112.6 45.7 -60.4 -48.6 37.3 95.5 42.4 592 17 H I H X S+ 0 0 25 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.880 113.6 50.5 -65.3 -35.4 34.3 93.1 42.1 593 18 H Y H X S+ 0 0 161 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.925 112.3 46.7 -67.4 -43.9 34.7 92.0 45.8 594 19 H S H >X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 3,-0.7 0.942 109.7 55.5 -63.3 -44.7 34.8 95.7 46.9 595 20 H F H 3X S+ 0 0 16 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.870 103.4 53.0 -56.6 -43.7 31.8 96.4 44.7 596 21 H W H 3X S+ 0 0 145 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.814 109.9 49.1 -63.5 -29.8 29.7 93.7 46.3 597 22 H I H < S+ 0 0 15 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.896 107.9 54.2 -62.1 -38.0 16.4 102.5 56.1 609 34 H E H >< S+ 0 0 28 -4,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.826 104.7 56.0 -64.6 -29.4 15.6 105.7 54.1 610 35 H N T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.239 94.0 69.6 -88.3 16.5 12.4 104.1 53.0 611 36 H M T < + 0 0 6 -3,-1.7 4,-0.4 1,-0.1 -1,-0.2 0.167 63.9 104.9-115.0 15.4 11.3 103.5 56.6 612 37 H R S < S+ 0 0 15 -3,-0.8 2,-0.3 38,-0.1 40,-0.2 0.455 81.8 42.5 -77.2 -1.3 10.8 107.2 57.4 613 38 H E S S+ 0 0 33 -3,-0.2 -1,-0.0 38,-0.1 37,-0.0 -0.997 112.8 16.8-145.0 142.4 7.0 106.8 57.2 614 39 H G S S+ 0 0 0 -2,-0.3 -610,-2.7 1,-0.2 -608,-0.2 0.249 91.8 148.3 86.0 -16.5 4.6 104.1 58.6 615 40 H Y + 0 0 17 -4,-0.4 -1,-0.2 -612,-0.2 37,-0.2 -0.773 32.0 59.8-102.9 154.7 7.1 102.6 61.0 616 41 H P S S- 0 0 61 0, 0.0 -612,-0.2 0, 0.0 2,-0.1 0.430 87.9-122.0 -65.6 156.5 7.3 101.2 63.7 617 42 H L - 0 0 16 -2,-0.2 8,-2.5 -614,-0.1 2,-0.3 -0.420 31.3-154.5 -70.7 146.1 5.1 98.3 62.7 618 43 H E B -AB 2 624A 48 -616,-2.9 -616,-2.8 6,-0.3 2,-0.2 -0.755 15.1-116.7-122.2 165.7 2.0 97.8 64.8 619 44 H N > - 0 0 46 4,-2.7 3,-2.7 -2,-0.3 6,-0.1 -0.587 48.3 -94.7 -91.1 164.8 -0.3 95.0 65.8 620 45 H E T 3 S+ 0 0 14 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.670 126.2 59.0 -57.4 -16.9 -4.0 95.3 64.6 621 46 H D T 3 S- 0 0 118 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.570 120.6-105.8 -89.2 -8.9 -4.8 96.8 68.0 622 47 H G S < S+ 0 0 38 -3,-2.7 -2,-0.1 1,-0.4 3,-0.1 0.353 79.3 124.1 102.7 -7.0 -2.4 99.7 67.5 623 48 H T S S- 0 0 65 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.4 -0.573 74.9 -84.8 -85.3 151.6 0.4 98.6 69.9 624 49 H P B -B 618 0A 100 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.250 48.7-118.7 -54.9 138.0 4.0 98.2 68.6 625 50 H A - 0 0 13 -8,-2.5 -8,-0.1 -623,-0.1 3,-0.0 -0.499 12.1-126.2 -78.7 153.6 4.6 94.7 67.1 626 51 H A S S+ 0 0 109 1,-0.2 2,-0.7 -2,-0.2 -1,-0.1 0.929 96.4 53.1 -64.4 -49.2 7.2 92.4 68.6 627 52 H N + 0 0 132 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.824 54.7 164.7 -97.4 114.3 9.1 91.8 65.3 628 53 H Q - 0 0 62 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.619 48.9-111.7 -99.5 -17.4 10.3 95.0 63.5 629 54 H G - 0 0 40 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 -0.432 36.5 -68.9 108.6 173.0 12.8 93.5 61.1 630 55 H P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.612 105.3 89.3 -76.4 -17.0 16.7 93.7 60.8 631 56 H F S S- 0 0 69 -3,-0.2 2,-0.1 -24,-0.0 -27,-0.0 -0.756 71.7-140.6 -90.3 122.4 16.6 97.3 59.8 632 57 H P - 0 0 66 0, 0.0 -21,-0.1 0, 0.0 -1,-0.0 -0.485 32.9 -92.8 -78.6 150.2 16.8 100.0 62.5 633 58 H L - 0 0 74 -2,-0.1 -24,-0.1 1,-0.1 -21,-0.1 -0.300 51.6-108.9 -57.9 140.8 14.6 103.1 62.3 634 59 H P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.380 32.8 -94.0 -75.9 157.8 16.7 105.9 60.6 635 60 H K - 0 0 180 1,-0.1 15,-0.1 -2,-0.1 0, 0.0 -0.556 58.8 -95.5 -68.9 128.5 18.0 109.0 62.5 636 61 H P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.049 37.9-162.3 -46.1 147.0 15.4 111.8 62.0 637 62 H K E -L 650 0K 35 13,-2.0 13,-2.2 -3,-0.1 2,-0.5 -0.941 9.5-139.4-130.4 151.8 15.7 114.4 59.3 638 63 H T E -L 649 0K 77 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.961 4.6-153.7-122.7 129.2 13.9 117.8 59.2 639 64 H F E -L 648 0K 8 9,-3.3 9,-1.6 -2,-0.5 2,-0.9 -0.844 12.9-142.1 -98.2 132.5 12.3 119.5 56.2 640 65 H I E -L 647 0K 68 -2,-0.4 -434,-2.7 -436,-0.3 7,-0.2 -0.876 24.7-141.6 -93.9 105.8 12.0 123.2 56.2 641 66 H L - 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