==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 01-APR-13 3W99 . COMPND 2 MOLECULE: HISTONE H3.1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.IWASAKI,Y.MIYA,N.HORIKOSHI,A.OSAKABE,H.TACHIWANA,T.SHIBATA . 752 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 29 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 0 1 2 0 2 2 3 7 2 2 0 0 0 0 0 0 2 0 0 0 0 1 3 0 4 0 0 RESIDUES PER ALPHA HELIX . 0 9 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 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 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 38 A P 0 0 187 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.6 -61.9 27.6 -74.4 2 39 A H + 0 0 155 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.821 360.0 174.8 -95.9 119.3 -59.6 29.6 -72.1 3 40 A R - 0 0 228 -2,-0.6 2,-0.4 3,-0.0 0, 0.0 -0.986 28.4-130.8-127.6 127.5 -56.1 28.0 -71.6 4 41 A Y - 0 0 123 -2,-0.4 3,-0.1 1,-0.1 5,-0.1 -0.626 39.0-103.8 -76.5 130.7 -53.2 29.6 -69.7 5 42 A R > - 0 0 208 -2,-0.4 3,-1.6 1,-0.2 4,-0.5 -0.086 51.2 -85.9 -47.1 154.4 -50.0 29.5 -71.8 6 43 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.522 116.0 23.2 -70.9 126.0 -47.7 26.7 -70.5 7 44 A G T 3> S+ 0 0 30 -2,-0.3 4,-1.1 -3,-0.1 5,-0.1 0.350 92.6 99.9 103.2 -6.6 -45.5 28.0 -67.7 8 45 A T H <> S+ 0 0 61 -3,-1.6 4,-1.4 2,-0.2 5,-0.1 0.872 85.0 47.3 -78.3 -38.3 -47.8 30.9 -66.6 9 46 A V H > S+ 0 0 46 -4,-0.5 4,-2.8 2,-0.2 3,-0.4 0.964 103.6 62.7 -64.6 -52.5 -49.2 28.9 -63.7 10 47 A A H > S+ 0 0 5 1,-0.3 4,-3.0 2,-0.2 3,-0.2 0.867 104.7 46.0 -36.8 -59.0 -45.8 27.8 -62.6 11 48 A L H X S+ 0 0 8 -4,-1.1 4,-3.2 1,-0.3 -1,-0.3 0.900 113.9 49.4 -53.8 -44.5 -44.7 31.4 -61.8 12 49 A R H X S+ 0 0 94 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.3 0.826 111.6 49.6 -65.4 -31.9 -48.1 31.9 -60.1 13 50 A E H X S+ 0 0 21 -4,-2.8 4,-3.1 -3,-0.2 5,-0.3 0.866 110.8 49.1 -74.5 -38.0 -47.4 28.7 -58.1 14 51 A I H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 5,-0.4 0.974 112.3 47.6 -64.2 -51.7 -43.9 29.9 -57.2 15 52 A R H X S+ 0 0 121 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.871 115.3 48.5 -57.1 -34.3 -45.3 33.2 -56.1 16 53 A R H X S+ 0 0 115 -4,-1.6 4,-0.6 -5,-0.2 3,-0.4 0.985 116.2 38.5 -67.2 -60.9 -48.0 31.3 -54.2 17 54 A Y H < S+ 0 0 34 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.771 113.6 53.6 -64.5 -32.0 -45.8 28.8 -52.4 18 55 A Q H < S+ 0 0 5 -4,-2.9 637,-0.3 -5,-0.3 -1,-0.2 0.823 105.0 56.6 -74.0 -27.5 -42.9 31.1 -51.7 19 56 A K H < S+ 0 0 157 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.2 0.697 106.3 63.8 -73.9 -18.8 -45.3 33.5 -50.0 20 57 A S < - 0 0 25 -4,-0.6 635,-0.4 -3,-0.3 633,-0.0 -0.537 57.0-165.0-104.7 170.9 -46.4 30.7 -47.6 21 58 A T + 0 0 28 -2,-0.2 633,-0.3 633,-0.1 631,-0.2 0.537 47.7 119.4-127.6 -18.9 -44.7 28.7 -44.9 22 59 A E S S- 0 0 81 1,-0.1 -2,-0.1 630,-0.1 631,-0.0 -0.014 76.4 -90.1 -47.3 157.5 -47.1 25.7 -44.3 23 60 A L - 0 0 37 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.293 32.8-156.0 -68.2 160.7 -45.5 22.3 -44.9 24 61 A L + 0 0 9 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.844 65.1 79.9-105.5 -52.9 -45.9 20.9 -48.4 25 62 A I S S- 0 0 7 1,-0.1 2,-0.3 31,-0.1 78,-0.1 -0.279 93.4-100.9 -58.3 139.7 -45.6 17.1 -48.1 26 63 A R > - 0 0 136 76,-0.2 4,-1.4 1,-0.1 -1,-0.1 -0.475 32.2-134.7 -64.7 124.5 -48.8 15.4 -47.0 27 64 A K H > S+ 0 0 86 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.852 93.6 50.6 -50.6 -51.8 -48.4 14.6 -43.3 28 65 A L H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 108.8 49.3 -59.7 -49.6 -49.6 11.0 -43.1 29 66 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 116.0 47.8 -56.1 -37.2 -47.6 9.5 -46.0 30 67 A F H >X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 3,-0.6 0.996 108.4 48.8 -64.8 -67.9 -44.5 11.2 -44.4 31 68 A Q H 3X S+ 0 0 47 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.818 111.9 54.1 -42.7 -34.9 -45.0 10.1 -40.8 32 69 A R H 3X S+ 0 0 112 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.3 0.956 106.6 49.4 -65.0 -49.8 -45.5 6.6 -42.3 33 70 A L H < S+ 0 0 4 -4,-2.5 3,-2.6 1,-0.2 4,-0.4 0.958 112.4 52.5 -53.6 -58.1 -37.4 3.8 -41.9 38 75 A A H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 3,-1.2 0.779 102.4 61.4 -51.1 -29.4 -36.9 4.1 -38.1 39 76 A Q H 3< S+ 0 0 123 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.763 91.8 64.9 -72.2 -21.3 -38.1 0.5 -37.8 40 77 A D T << S+ 0 0 121 -3,-2.6 -1,-0.3 -4,-0.7 -2,-0.2 0.624 113.9 34.7 -72.8 -11.0 -35.1 -0.6 -40.0 41 78 A F T <4 S+ 0 0 67 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.704 132.1 5.8-110.7 -34.0 -33.0 0.6 -37.1 42 79 A K < - 0 0 37 -4,-2.3 -1,-0.4 111,-0.0 3,-0.3 -0.987 66.2-126.5-151.1 157.3 -35.1 -0.3 -34.0 43 80 A T S S+ 0 0 89 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.753 83.1 17.7-110.1 156.5 -38.4 -2.1 -33.2 44 81 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.946 85.2 172.2 50.9 52.2 -41.5 -1.0 -31.2 45 82 A L - 0 0 27 -3,-0.3 2,-0.5 -10,-0.1 109,-0.2 -0.721 22.9-158.2 -93.9 143.0 -40.4 2.6 -31.6 46 83 A R E -a 154 0A 156 107,-1.8 109,-1.8 -2,-0.3 2,-0.6 -0.935 3.4-155.3-126.5 110.6 -42.6 5.5 -30.6 47 84 A F E -a 155 0A 14 -2,-0.5 2,-0.5 107,-0.2 109,-0.2 -0.710 23.4-127.5 -82.0 122.0 -42.1 8.9 -32.2 48 85 A Q >> - 0 0 80 107,-2.3 3,-3.5 -2,-0.6 4,-0.7 -0.586 32.9-108.1 -71.3 123.0 -43.4 11.6 -29.9 49 86 A S H >> S+ 0 0 99 -2,-0.5 4,-0.7 1,-0.3 3,-0.6 0.635 118.2 48.7 -14.5 -57.4 -45.8 13.7 -32.1 50 87 A S H >> S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.819 99.0 67.1 -63.8 -32.9 -43.4 16.7 -32.2 51 88 A A H <> S+ 0 0 0 -3,-3.5 4,-2.1 1,-0.3 -1,-0.2 0.901 101.4 49.0 -55.2 -41.4 -40.4 14.5 -33.2 52 89 A V H S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 3,-0.4 0.911 116.3 48.8 -63.2 -42.2 -30.0 23.8 -64.5 75 112 A I H ><5S+ 0 0 27 -4,-4.1 3,-2.2 1,-0.2 -2,-0.2 0.945 104.8 59.3 -62.3 -45.5 -29.7 27.4 -65.3 76 113 A H H 3<5S+ 0 0 25 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 100.1 55.6 -54.0 -32.8 -26.0 27.3 -65.6 77 114 A A T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.171 123.5-106.2 -87.6 18.8 -26.2 24.7 -68.4 78 115 A K T < 5S+ 0 0 185 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.372 87.4 115.1 73.9 -4.0 -28.3 27.2 -70.3 79 116 A R < - 0 0 57 -5,-1.4 -1,-0.2 -6,-0.2 3,-0.1 -0.057 53.9-157.9 -83.7-171.8 -31.4 25.0 -69.5 80 117 A V + 0 0 38 1,-0.1 39,-0.8 -3,-0.1 2,-0.5 0.160 68.3 87.5-153.3 13.4 -34.5 25.9 -67.4 81 118 A T E S-b 119 0B 21 -7,-0.2 39,-0.2 37,-0.1 -1,-0.1 -0.921 79.7-126.9-121.3 103.1 -35.9 22.4 -66.6 82 119 A I E -b 120 0B 0 37,-1.6 39,-2.1 -2,-0.5 42,-0.2 -0.257 34.4-169.2 -51.6 130.0 -34.3 21.0 -63.4 83 120 A M > - 0 0 55 -13,-0.2 4,-1.4 37,-0.1 3,-0.1 -0.755 36.0-107.0-117.1 165.7 -33.0 17.5 -64.4 84 121 A P H > S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.878 118.5 60.2 -63.2 -33.7 -31.7 14.7 -62.2 85 122 A K H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.933 101.0 54.4 -58.3 -45.3 -28.1 15.5 -63.3 86 123 A D H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 106.7 50.8 -54.7 -45.2 -28.4 19.0 -61.9 87 124 A I H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.933 109.8 51.4 -59.0 -45.5 -29.4 17.6 -58.5 88 125 A Q H X S+ 0 0 96 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.941 110.7 46.8 -58.1 -50.8 -26.4 15.3 -58.6 89 126 A L H >X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.991 111.4 51.6 -52.3 -67.6 -24.0 18.2 -59.4 90 127 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.814 114.8 43.3 -36.3 -45.4 -25.5 20.3 -56.7 91 128 A R H 3X>S+ 0 0 26 -4,-2.4 5,-2.0 -5,-0.2 4,-1.2 0.899 112.2 52.3 -74.0 -38.9 -25.1 17.5 -54.2 92 129 A R H X<5S+ 0 0 126 -4,-3.2 3,-0.8 -3,-0.5 -2,-0.2 0.949 112.1 45.3 -60.8 -49.4 -21.6 16.6 -55.4 93 130 A I H 3<5S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 108.7 59.5 -60.4 -36.4 -20.4 20.2 -55.0 94 131 A R H 3<5S- 0 0 54 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.751 114.8-114.4 -64.8 -28.3 -22.1 20.4 -51.6 95 132 A G T <<5S+ 0 0 67 -4,-1.2 -3,-0.2 -3,-0.8 -2,-0.1 0.549 87.8 110.7 101.7 11.1 -20.1 17.5 -50.2 96 133 A E < 0 0 64 -5,-2.0 -4,-0.2 1,-0.2 -5,-0.1 0.862 360.0 360.0 -84.4 -38.9 -23.0 15.1 -49.8 97 134 A R 0 0 201 -6,-0.9 -1,-0.2 -9,-0.2 -5,-0.1 -0.105 360.0 360.0-115.7 360.0 -22.0 12.7 -52.6 98 !* 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 99 25 B N > 0 0 84 0, 0.0 3,-1.0 0, 0.0 -66,-0.2 0.000 360.0 360.0 360.0 -42.1 -44.0 3.3 -48.5 100 26 B I G > + 0 0 26 1,-0.3 3,-2.7 2,-0.2 -67,-0.1 0.828 360.0 74.7 -70.0 -32.4 -41.6 6.1 -49.8 101 27 B Q G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.0 4,-0.2 0.461 74.4 86.3 -61.1 2.2 -43.8 6.4 -52.9 102 28 B G G < + 0 0 16 -3,-1.0 2,-2.5 -73,-0.2 -1,-0.3 0.745 61.9 89.3 -73.6 -24.8 -46.1 8.1 -50.5 103 29 B I S < S- 0 0 0 -3,-2.7 -1,-0.2 -74,-0.2 5,-0.1 -0.508 86.8-142.7 -75.0 77.6 -44.2 11.3 -51.2 104 30 B T >> - 0 0 30 -2,-2.5 4,-1.8 1,-0.1 3,-1.0 -0.010 13.1-119.1 -47.2 140.8 -46.5 12.1 -54.2 105 31 B K H 3> S+ 0 0 106 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.860 112.8 58.3 -50.1 -42.2 -45.1 13.7 -57.3 106 32 B P H 3> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.861 105.0 50.7 -59.9 -34.8 -47.4 16.8 -56.9 107 33 B A H <> S+ 0 0 1 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.960 106.7 52.9 -66.7 -50.4 -45.8 17.4 -53.5 108 34 B I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 5,-0.2 0.893 108.5 51.6 -51.7 -42.0 -42.3 17.2 -54.8 109 35 B R H X S+ 0 0 61 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.914 107.7 52.5 -62.6 -40.1 -43.3 19.8 -57.4 110 36 B R H X S+ 0 0 43 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.919 109.5 48.4 -61.3 -43.0 -44.6 22.0 -54.7 111 37 B L H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.936 113.6 46.6 -61.5 -46.8 -41.3 21.8 -52.8 112 38 B A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.827 106.8 59.8 -65.0 -31.3 -39.4 22.6 -56.1 113 39 B R H ><5S+ 0 0 16 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.927 105.1 47.5 -61.6 -44.3 -41.9 25.4 -56.7 114 40 B R H 3<5S+ 0 0 12 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 104.5 63.6 -66.4 -27.1 -40.8 27.0 -53.4 115 41 B G T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.469 124.6-104.1 -76.8 -1.2 -37.3 26.4 -54.5 116 42 B G T < 5S+ 0 0 2 -3,-1.7 544,-0.3 1,-0.3 -3,-0.2 0.524 70.2 152.7 90.4 6.3 -37.8 28.8 -57.4 117 43 B V < + 0 0 0 -5,-2.7 -1,-0.3 1,-0.1 3,-0.1 -0.474 21.1 177.3 -73.0 139.6 -38.1 26.0 -59.9 118 44 B K + 0 0 52 1,-0.3 2,-0.4 -38,-0.3 -1,-0.1 0.785 67.7 30.4-108.7 -46.1 -40.3 26.7 -63.0 119 45 B R E -b 81 0B 150 -39,-0.8 -37,-1.6 -109,-0.0 2,-0.5 -0.975 69.6-158.5-122.4 129.9 -40.0 23.6 -65.2 120 46 B I E -b 82 0B 24 -2,-0.4 -37,-0.1 -39,-0.2 -39,-0.1 -0.921 11.8-135.0-116.3 121.8 -39.6 20.1 -63.8 121 47 B S - 0 0 22 -39,-2.1 4,-0.5 -2,-0.5 -39,-0.1 -0.116 22.4-120.9 -59.9 166.6 -38.2 17.0 -65.7 122 48 B G S S+ 0 0 55 1,-0.2 4,-0.4 2,-0.1 3,-0.4 0.843 107.1 55.4 -82.4 -34.9 -40.0 13.7 -65.2 123 49 B L S >> S+ 0 0 123 1,-0.2 4,-1.7 2,-0.1 3,-1.1 0.815 88.4 82.4 -67.3 -30.7 -37.2 11.6 -63.8 124 50 B I H 3> S+ 0 0 0 1,-0.3 4,-3.4 -42,-0.2 5,-0.3 0.875 80.2 63.0 -35.1 -63.5 -36.7 14.2 -61.0 125 51 B Y H 3> S+ 0 0 17 -4,-0.5 4,-1.7 -3,-0.4 -1,-0.3 0.802 106.4 43.4 -35.6 -50.5 -39.5 12.7 -58.9 126 52 B E H <> S+ 0 0 112 -3,-1.1 4,-1.8 -4,-0.4 3,-0.3 0.964 115.7 49.1 -64.3 -49.7 -37.7 9.4 -58.5 127 53 B E H X S+ 0 0 55 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.928 109.5 52.3 -53.4 -50.2 -34.4 11.1 -57.9 128 54 B T H X S+ 0 0 2 -4,-3.4 4,-2.6 1,-0.3 -1,-0.2 0.842 106.3 53.5 -57.7 -35.6 -36.0 13.4 -55.3 129 55 B R H X S+ 0 0 32 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.3 0.874 108.6 50.8 -68.8 -34.0 -37.4 10.4 -53.4 130 56 B G H X S+ 0 0 42 -4,-1.8 4,-2.9 -3,-0.4 -2,-0.2 0.961 113.4 42.5 -65.9 -52.5 -33.9 8.9 -53.3 131 57 B V H X S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.958 115.8 50.3 -56.4 -53.4 -32.3 12.0 -51.9 132 58 B L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.865 111.3 48.9 -53.5 -42.6 -35.2 12.5 -49.5 133 59 B K H X S+ 0 0 73 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.973 110.7 49.2 -64.7 -51.7 -35.0 8.9 -48.3 134 60 B V H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.874 109.3 54.7 -55.6 -39.5 -31.2 9.1 -47.7 135 61 B F H >X S+ 0 0 15 -4,-2.9 4,-2.7 -5,-0.2 3,-1.0 0.994 113.7 38.2 -55.4 -69.6 -31.7 12.3 -45.8 136 62 B L H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.3 5,-0.4 0.840 113.1 58.3 -48.0 -40.6 -34.3 10.8 -43.4 137 63 B E H 3X S+ 0 0 47 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.3 0.892 113.0 40.0 -59.5 -39.4 -32.3 7.5 -43.3 138 64 B N H <>S+ 0 0 1 -4,-2.0 3,-2.5 2,-0.2 5,-1.0 0.999 109.4 48.0 -64.4 -70.1 -32.6 7.4 -28.2 148 74 B E H ><5S+ 0 0 83 -4,-3.1 3,-3.1 1,-0.3 -2,-0.2 0.847 106.8 58.1 -36.7 -52.3 -31.3 3.9 -27.5 149 75 B H H 3<5S+ 0 0 4 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.830 102.4 53.8 -53.0 -33.7 -28.5 5.3 -25.5 150 76 B A T <<5S- 0 0 21 -3,-2.5 -1,-0.3 -4,-1.0 -2,-0.2 0.284 114.3-122.6 -84.0 12.8 -31.0 7.0 -23.2 151 77 B K T < 5 + 0 0 142 -3,-3.1 -3,-0.2 -4,-0.2 -2,-0.1 0.494 67.4 139.3 60.1 3.5 -32.6 3.6 -22.8 152 78 B R < - 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0 0 38 -2,-0.3 5,-0.1 -644,-0.0 -542,-0.1 -0.986 36.7-118.6-134.2 121.4 -37.4 34.1 -58.9 660 112 G Q > - 0 0 52 -2,-0.4 3,-1.3 -544,-0.3 4,-0.4 -0.306 21.7-129.9 -56.0 136.7 -34.4 34.0 -61.3 661 113 G A G > S+ 0 0 74 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.847 105.4 65.8 -60.5 -34.2 -34.8 36.6 -64.0 662 114 G V G 3 S+ 0 0 94 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.823 97.9 56.6 -57.8 -28.0 -34.1 34.0 -66.7 663 115 G L G < S+ 0 0 0 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.651 88.6 99.9 -77.8 -16.4 -37.4 32.3 -65.7 664 116 G L S < S- 0 0 74 -3,-1.8 2,-0.1 -4,-0.4 -3,-0.0 -0.391 81.8-100.8 -73.6 147.7 -39.4 35.5 -66.3 665 117 G P 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.370 360.0 360.0 -70.0 147.5 -41.4 36.0 -69.5 666 118 G K 0 0 260 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.638 360.0 360.0 118.4 360.0 -40.1 38.2 -72.4 667 !* 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 0.0 668 33 H R 0 0 271 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.7 -38.7 22.4 -13.6 669 34 H K - 0 0 161 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.943 360.0-170.0 74.8 88.5 -37.7 22.8 -17.3 670 35 H E + 0 0 103 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.215 14.1 166.7 -97.2-174.6 -36.7 26.5 -17.8 671 36 H S - 0 0 30 -2,-0.1 4,-0.2 -495,-0.1 3,-0.1 -0.933 49.2 -93.2-174.8-165.9 -35.9 28.8 -20.7 672 37 H Y S > S+ 0 0 6 -2,-0.3 4,-2.6 2,-0.1 5,-0.3 0.324 82.9 113.5-111.8 2.3 -35.3 32.4 -21.7 673 38 H S H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.858 75.7 53.5 -38.9 -52.4 -39.0 33.0 -22.7 674 39 H I H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.964 115.3 37.5 -48.9 -63.4 -39.4 35.4 -19.8 675 40 H Y H >> S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.950 108.8 59.8 -57.7 -58.0 -36.4 37.6 -20.8 676 41 H V H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.886 108.8 48.7 -37.1 -50.6 -36.9 37.4 -24.6 677 42 H Y H 3X S+ 0 0 104 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.3 0.871 106.6 54.3 -60.1 -42.0 -40.3 38.9 -24.0 678 43 H K H < + 0 0 14 -4,-1.8 3,-0.6 -5,-0.3 -1,-0.3 -0.667 61.9 175.9-143.5 83.5 -41.4 47.2 -29.5 685 50 H P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.823 83.5 54.0 -57.6 -32.0 -43.8 47.7 -26.6 686 51 H D T 3 S+ 0 0 142 -5,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.784 97.9 74.9 -73.8 -31.2 -46.9 47.3 -28.9 687 52 H T < - 0 0 7 -3,-0.6 2,-0.3 -7,-0.2 -62,-0.2 -0.418 59.1-162.7 -87.6 160.4 -45.9 44.0 -30.5 688 53 H G E -j 625 0J 17 -64,-2.2 -62,-2.9 -2,-0.1 2,-0.4 -0.937 17.0-120.5-136.1 158.8 -46.1 40.5 -29.1 689 54 H I E -j 626 0J 22 -2,-0.3 -62,-0.2 -64,-0.3 -64,-0.0 -0.862 20.7-122.1-112.3 138.7 -44.5 37.2 -30.1 690 55 H S > - 0 0 30 -64,-3.6 4,-0.6 -2,-0.4 -1,-0.1 0.265 29.2-108.2 -54.5-173.8 -46.2 33.8 -31.1 691 56 H S H > S+ 0 0 104 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.926 118.5 39.2 -85.0 -58.2 -45.6 30.6 -29.3 692 57 H K H >> S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.930 116.5 51.6 -55.8 -50.2 -43.5 28.9 -32.0 693 58 H A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.3 -1,-0.2 0.915 110.2 49.1 -54.2 -44.2 -41.7 32.2 -32.8 694 59 H M H 3X S+ 0 0 21 -4,-0.6 4,-1.3 1,-0.2 -1,-0.3 0.753 109.6 54.5 -66.3 -22.9 -40.9 32.5 -29.1 695 60 H G H X S+ 0 0 4 -4,-2.3 3,-2.3 -523,-0.2 4,-2.3 0.996 110.8 50.5 -64.7 -63.0 -37.4 29.8 -32.2 697 62 H M H 3X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.827 109.2 53.2 -41.9 -38.9 -36.0 32.8 -30.2 698 63 H N H 3X S+ 0 0 24 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.3 0.818 109.1 47.9 -70.2 -29.6 -35.5 30.4 -27.4 699 64 H S H S+ 0 0 2 -4,-2.4 5,-2.0 -5,-0.2 -1,-0.2 0.922 112.6 45.4 -56.2 -46.2 -8.7 28.9 -22.5 717 82 H H H ><5S+ 0 0 104 -4,-1.6 3,-2.5 -5,-0.2 -2,-0.2 0.947 108.3 53.8 -64.7 -50.9 -7.4 25.4 -23.3 718 83 H Y H 3<5S+ 0 0 57 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.9 48.8 -51.3 -38.8 -5.1 26.5 -26.1 719 84 H N T 3<5S- 0 0 40 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.110 112.6-119.4 -91.3 22.8 -3.6 28.9 -23.6 720 85 H K T < 5 + 0 0 199 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.900 67.6 136.5 40.1 57.7 -3.2 26.3 -20.8 721 86 H R < - 0 0 131 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -1.000 48.1-153.1-133.7 134.4 -5.5 28.3 -18.4 722 87 H S S S+ 0 0 75 -2,-0.4 -132,-1.6 -134,-0.1 2,-0.4 0.096 71.6 73.8 -96.1 23.3 -8.1 26.7 -16.3 723 88 H T E -i 590 0I 42 -134,-0.2 2,-0.9 -7,-0.1 -132,-0.2 -0.954 67.8-141.6-143.0 123.9 -10.5 29.6 -16.0 724 89 H I E -i 591 0I 2 -134,-2.4 -132,-2.4 -2,-0.4 -129,-0.2 -0.702 31.1-174.4 -81.5 105.1 -12.9 31.2 -18.6 725 90 H T > - 0 0 45 -2,-0.9 4,-1.5 -134,-0.2 3,-0.5 -0.312 41.7-102.7 -91.1 178.0 -12.6 34.9 -18.0 726 91 H S H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.750 121.3 66.2 -73.5 -21.7 -14.7 37.6 -19.7 727 92 H R H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.839 101.1 50.0 -65.3 -32.8 -11.7 38.3 -21.9 728 93 H E H > S+ 0 0 2 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.960 106.3 52.8 -69.8 -52.4 -12.3 34.9 -23.3 729 94 H I H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.902 112.6 48.8 -49.0 -42.1 -15.9 35.5 -24.0 730 95 H Q H >X S+ 0 0 48 -4,-2.2 4,-1.9 2,-0.2 3,-1.0 0.982 111.4 43.8 -64.4 -60.1 -14.8 38.6 -25.9 731 96 H T H 3X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.3 5,-0.2 0.897 113.0 55.9 -51.6 -40.2 -12.1 37.1 -28.1 732 97 H A H 3X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.3 0.842 105.6 52.2 -60.4 -34.0 -14.6 34.3 -28.7 733 98 H V H - 0 0 29 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.172 51.9 -53.5 -72.1 165.1 -19.5 38.8 -38.3 739 104 H G H >> S+ 0 0 54 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.531 122.2 5.6 1.9-116.3 -18.7 42.4 -39.2 740 105 H E H 3> S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.903 123.7 62.9 -52.8 -52.5 -20.8 44.9 -37.3 741 106 H L H 3> S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.891 103.0 55.0 -42.1 -45.0 -22.7 42.5 -35.0 742 107 H A H X S+ 0 0 141 -4,-1.1 4,-2.2 -3,-0.3 3,-0.7 0.975 117.6 40.5 -53.4 -64.4 -18.4 45.3 -32.7 744 109 H H H 3X S+ 0 0 86 -4,-1.7 4,-2.0 1,-0.3 5,-0.3 0.882 113.3 55.9 -53.9 -41.9 -21.7 46.2 -31.1 745 110 H A H 3X S+ 0 0 0 -4,-2.9 4,-1.3 -5,-0.4 -1,-0.3 0.886 108.5 48.5 -59.7 -36.7 -21.8 42.8 -29.4 746 111 H V H