==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-NOV-11 3US8 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP]; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR D.KUMARAN,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 10.6 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 . 2 0.2 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 . 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 . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.1 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 0 5 3 2 2 2 0 0 2 2 3 3 0 4 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 2 2 0 2 2 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 . 2 0 2 0 0 0 0 0 2 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 2 A A 0 0 67 0, 0.0 33,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 158.9 -1.4 78.9 51.2 2 3 A K + 0 0 187 1,-0.5 2,-0.5 31,-0.3 32,-0.2 0.141 360.0 67.0-162.2 -58.4 -4.6 80.1 49.2 3 4 A I E S-a 34 0A 23 30,-2.3 32,-3.0 345,-0.1 -1,-0.5 -0.656 83.9-133.4 -68.2 123.6 -4.4 79.4 45.4 4 5 A K E -a 35 0A 125 -2,-0.5 2,-0.6 30,-0.2 32,-0.1 -0.666 15.6-158.8 -89.0 131.5 -4.5 75.6 45.2 5 6 A V - 0 0 1 30,-2.3 32,-0.3 -2,-0.4 336,-0.0 -0.962 0.8-161.1-113.2 121.7 -1.9 74.1 42.9 6 7 A A + 0 0 69 -2,-0.6 -1,-0.2 30,-0.1 30,-0.0 0.872 69.8 40.8 -74.4 -46.4 -2.9 70.6 41.8 7 8 A N S S- 0 0 75 333,-0.1 30,-0.4 1,-0.1 337,-0.1 -0.679 88.0-102.1-106.6 159.2 0.5 69.2 40.7 8 9 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.280 20.4-139.5 -77.3 164.9 4.0 69.5 42.2 9 10 A V E -b 38 0B 0 28,-2.2 30,-2.9 58,-0.1 2,-0.6 -0.964 20.9-125.9-117.7 135.1 6.8 71.8 41.1 10 11 A V E -bc 39 69B 0 58,-2.6 60,-2.5 -2,-0.4 2,-0.5 -0.762 25.8-157.5 -85.8 123.4 10.3 70.4 41.1 11 12 A E E -bc 40 70B 3 28,-2.5 30,-2.9 -2,-0.6 2,-0.7 -0.905 8.7-164.2-108.1 124.3 12.6 72.6 43.2 12 13 A L E -bc 41 71B 0 58,-2.7 60,-2.8 -2,-0.5 30,-0.2 -0.918 16.3-150.0-107.6 108.5 16.5 72.6 42.7 13 14 A D E -b 42 0B 3 28,-2.7 30,-1.5 -2,-0.7 6,-0.1 -0.459 17.8-165.5 -82.0 152.9 18.1 74.3 45.6 14 15 A G - 0 0 0 -2,-0.1 60,-0.3 28,-0.1 2,-0.3 -0.091 13.8 -75.5-123.8-147.1 21.5 76.1 45.1 15 16 A D >> - 0 0 11 58,-1.9 4,-1.5 29,-0.1 3,-0.8 -0.757 66.0 -23.5-126.1 154.2 24.5 77.7 46.8 16 17 A E H >> S- 0 0 10 -2,-0.3 4,-1.4 1,-0.2 3,-0.6 0.048 119.4 -2.3 52.3-136.6 25.8 80.7 48.8 17 18 A X H 3> S+ 0 0 1 291,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.862 133.5 56.1 -65.9 -31.4 23.9 84.1 48.5 18 19 A T H <> S+ 0 0 2 290,-0.9 4,-2.6 -3,-0.8 -1,-0.3 0.889 102.7 54.4 -65.9 -38.0 21.5 82.7 46.0 19 20 A R H S+ 0 0 52 -4,-1.8 4,-3.0 2,-0.2 5,-0.5 0.935 110.5 52.8 -58.1 -42.3 13.3 84.3 51.5 25 26 A I H X>S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-1.0 0.952 111.3 43.8 -60.6 -48.9 11.4 83.9 48.2 26 27 A K H X>S+ 0 0 13 -4,-2.3 5,-2.6 3,-0.2 4,-0.7 0.941 119.2 43.8 -62.5 -42.8 9.8 80.6 49.2 27 28 A D H <5S+ 0 0 88 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.896 128.0 23.8 -70.1 -41.3 9.0 81.8 52.7 28 29 A K H <5S+ 0 0 36 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.836 132.3 28.3 -95.7 -35.7 7.7 85.3 51.9 29 30 A L H <X - 0 0 4 -30,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.302 70.0-111.2 -41.4 147.0 23.9 72.7 47.0 45 46 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.819 116.2 53.7 -63.9 -30.8 27.5 71.7 46.3 46 47 A E H > S+ 0 0 133 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 109.0 47.6 -72.9 -37.8 27.8 69.8 49.6 47 48 A N H > S+ 0 0 51 -3,-0.3 4,-1.6 2,-0.2 8,-0.3 0.784 110.8 51.8 -67.2 -32.9 24.8 67.7 48.8 48 49 A R H <>S+ 0 0 0 -4,-2.0 5,-3.4 2,-0.2 6,-0.3 0.917 111.2 49.5 -63.4 -40.6 26.2 67.1 45.3 49 50 A D H ><5S+ 0 0 23 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.943 109.8 49.9 -63.5 -46.2 29.4 66.0 47.0 50 51 A A H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 117.5 39.5 -62.7 -34.9 27.5 63.6 49.4 51 52 A T T ><5S- 0 0 50 -4,-1.6 3,-2.0 -5,-0.1 -1,-0.3 0.227 111.7-114.1 -98.6 13.9 25.5 61.9 46.6 52 53 A D T < 5S- 0 0 86 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.874 73.7 -61.8 52.1 36.8 28.4 61.8 44.0 53 54 A D T >> + 0 0 93 -3,-2.0 4,-2.7 -6,-0.3 3,-0.5 0.885 62.6 67.6 -57.6 -34.5 23.5 61.7 41.6 55 56 A V H 3> S+ 0 0 12 -8,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.854 96.3 55.6 -57.4 -30.1 21.1 64.3 43.0 56 57 A T H <> S+ 0 0 0 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.904 109.0 44.5 -70.1 -40.8 21.6 66.4 39.8 57 58 A I H X S+ 0 0 59 -4,-1.0 4,-2.6 -3,-0.5 5,-0.2 0.962 114.4 50.7 -65.7 -49.2 20.5 63.5 37.5 58 59 A D H X S+ 0 0 66 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 109.3 50.1 -53.8 -52.6 17.6 62.7 39.8 59 60 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.913 111.8 48.5 -49.0 -49.4 16.3 66.3 39.8 60 61 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.886 112.1 48.3 -65.1 -41.2 16.5 66.5 36.0 61 62 A N H X S+ 0 0 73 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.872 110.0 52.7 -64.6 -36.0 14.6 63.2 35.7 62 63 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 -5,-0.2 6,-0.2 0.848 106.3 53.4 -69.3 -31.4 12.0 64.5 38.1 63 64 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.914 108.3 50.4 -67.4 -40.4 11.5 67.6 36.0 64 65 A K H < S+ 0 0 97 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.935 112.9 47.4 -62.3 -39.3 10.9 65.4 33.0 65 66 A K H < S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.975 122.2 30.8 -64.3 -53.4 8.4 63.5 35.0 66 67 A H H < S- 0 0 42 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.544 97.6-127.2 -90.0 -12.9 6.4 66.4 36.5 67 68 A G S < S+ 0 0 5 -4,-2.4 233,-2.2 -5,-0.2 2,-0.4 0.148 78.0 73.7 95.9 -22.2 6.8 69.0 33.7 68 69 A V E + d 0 300B 0 -6,-0.2 -58,-2.6 231,-0.2 2,-0.4 -0.983 47.3 174.1-136.6 124.1 8.1 72.0 35.8 69 70 A G E -cd 10 301B 0 231,-2.5 233,-2.9 -2,-0.4 2,-0.4 -0.981 10.0-167.2-121.5 145.3 11.5 72.8 37.4 70 71 A V E -cd 11 302B 0 -60,-2.5 -58,-2.7 -2,-0.4 2,-0.4 -0.998 17.7-160.6-125.3 135.1 12.7 76.0 39.2 71 72 A K E -cd 12 303B 1 231,-2.4 233,-2.0 -2,-0.4 2,-0.2 -0.963 13.4-146.1-133.7 125.8 16.4 76.2 39.8 72 73 A C - 0 0 0 -60,-2.8 -53,-0.1 -2,-0.4 236,-0.1 -0.555 43.8 -92.0 -74.1 149.6 18.5 78.2 42.2 73 74 A A - 0 0 3 -2,-0.2 -58,-1.9 234,-0.2 2,-0.3 -0.363 51.7-163.9 -63.8 146.3 22.0 79.3 40.9 74 75 A T - 0 0 17 -60,-0.3 2,-0.3 232,-0.2 -30,-0.1 -0.864 21.4 -98.5-129.8 162.7 24.7 76.8 41.9 75 76 A I - 0 0 6 -2,-0.3 232,-0.0 -32,-0.2 -59,-0.0 -0.646 20.5-152.3 -77.8 134.3 28.4 76.5 42.2 76 77 A T - 0 0 44 -2,-0.3 5,-0.1 17,-0.1 17,-0.1 -0.952 35.5-121.9-101.2 109.9 30.4 74.9 39.4 77 78 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 16,-0.1 -0.200 35.5 176.0 -61.5 135.7 33.4 73.6 41.3 78 79 A D > - 0 0 68 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.671 54.8 -81.4-116.5-172.5 37.0 74.7 40.4 79 80 A E H > S+ 0 0 110 1,-0.3 4,-1.9 -2,-0.2 5,-0.2 0.862 131.6 56.3 -57.6 -39.3 40.2 73.8 42.2 80 81 A G H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.922 109.9 44.8 -57.3 -48.6 39.5 76.6 44.7 81 82 A R H > S+ 0 0 32 -3,-0.3 4,-2.9 2,-0.2 6,-0.3 0.846 107.0 58.5 -66.2 -37.9 36.1 75.0 45.5 82 83 A V H X>S+ 0 0 37 -4,-2.3 5,-1.6 1,-0.2 4,-0.6 0.917 114.8 38.2 -57.6 -42.3 37.5 71.4 45.8 83 84 A E H <5S+ 0 0 151 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.901 114.6 54.1 -79.3 -43.4 39.8 72.6 48.5 84 85 A E H <5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 125.4 22.9 -56.5 -44.6 37.2 75.0 50.1 85 86 A F H <5S- 0 0 46 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.391 103.6-123.0-103.8 3.0 34.5 72.3 50.6 86 87 A K T <5 - 0 0 173 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.2 0.954 43.0-168.4 49.3 54.2 37.0 69.3 50.5 87 88 A L < - 0 0 14 -5,-1.6 -1,-0.1 -6,-0.3 3,-0.1 -0.297 32.5-123.3 -66.5 152.3 35.0 67.8 47.5 88 89 A K S S- 0 0 116 1,-0.2 2,-0.3 -39,-0.0 -1,-0.1 0.771 88.4 -27.4 -66.7 -29.9 35.7 64.2 46.4 89 90 A K S S- 0 0 115 -7,-0.0 2,-1.7 -10,-0.0 -1,-0.2 -0.966 82.4 -70.4-170.1-179.8 36.4 65.7 43.0 90 91 A X - 0 0 54 -2,-0.3 -11,-0.1 -3,-0.1 -14,-0.0 -0.573 55.8-150.2 -87.0 76.7 35.7 68.6 40.7 91 92 A W - 0 0 23 -2,-1.7 -42,-0.0 1,-0.1 -38,-0.0 -0.141 20.1-108.3 -48.3 140.2 32.1 67.7 39.8 92 93 A K - 0 0 120 1,-0.2 -1,-0.1 -16,-0.1 521,-0.1 -0.213 49.7 -64.7 -70.4 162.2 31.0 68.9 36.4 93 94 A S > - 0 0 17 519,-0.3 4,-1.5 1,-0.2 -1,-0.2 -0.180 39.9-150.7 -40.5 120.2 28.5 71.8 35.6 94 95 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 97.9 55.7 -70.0 -29.6 25.2 70.7 37.0 95 96 A N H > S+ 0 0 26 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.920 103.8 54.2 -65.0 -43.7 23.5 72.8 34.3 96 97 A G H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 111.6 44.3 -47.5 -47.9 25.4 70.9 31.7 97 98 A T H X S+ 0 0 17 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.895 114.4 49.0 -71.8 -43.1 24.1 67.6 33.1 98 99 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.943 113.6 45.8 -62.0 -44.0 20.5 68.9 33.4 99 100 A R H X S+ 0 0 25 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.895 108.4 56.0 -70.2 -34.6 20.5 70.3 29.9 100 101 A N H < S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.887 112.5 43.8 -68.8 -32.2 22.0 67.1 28.4 101 102 A I H < S+ 0 0 53 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.931 122.8 35.0 -73.1 -44.2 19.1 65.2 30.0 102 103 A L H < S- 0 0 7 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.821 84.8-172.9 -85.9 -34.5 16.3 67.6 29.0 103 104 A G < + 0 0 9 -4,-3.1 2,-0.2 30,-0.2 -1,-0.1 -0.172 34.7 98.1 70.2-169.7 17.4 68.9 25.6 104 105 A G S S- 0 0 3 190,-0.1 29,-3.2 188,-0.1 30,-0.4 -0.536 76.8 -52.4 100.6-151.7 15.4 71.7 23.9 105 106 A V E -EF 132 293B 1 188,-1.7 188,-2.6 27,-0.2 2,-0.7 -0.952 34.8-138.2-133.8 144.0 16.1 75.4 23.9 106 107 A I E -EF 131 292B 0 25,-3.1 25,-2.9 -2,-0.4 2,-0.5 -0.915 21.5-150.9-103.5 116.3 16.8 77.9 26.7 107 108 A F E -EF 130 291B 17 184,-3.3 184,-2.4 -2,-0.7 2,-0.4 -0.774 15.4-172.5 -89.9 128.3 14.9 81.0 26.0 108 109 A R E +EF 129 290B 9 21,-3.4 21,-3.1 -2,-0.5 182,-0.2 -0.966 10.5 162.5-126.1 138.6 16.6 84.2 27.4 109 110 A E E - F 0 289B 18 180,-0.9 180,-2.1 -2,-0.4 19,-0.1 -0.992 38.3-105.6-155.0 139.4 15.2 87.6 27.5 110 111 A P E - F 0 288B 7 0, 0.0 2,-0.7 0, 0.0 178,-0.3 -0.365 25.0-130.8 -71.1 146.1 15.9 90.9 29.4 111 112 A I - 0 0 11 176,-1.8 2,-0.5 173,-0.2 173,-0.1 -0.934 34.4-140.0 -93.9 108.6 13.5 91.9 32.2 112 113 A I + 0 0 75 -2,-0.7 2,-0.5 171,-0.0 171,-0.1 -0.637 26.7 178.6 -89.6 118.0 12.9 95.6 31.1 113 114 A C > - 0 0 6 -2,-0.5 3,-2.0 3,-0.2 249,-0.0 -0.983 23.1-145.9-114.4 115.6 12.8 98.3 33.7 114 115 A K T 3 S+ 0 0 179 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.700 95.0 54.7 -52.0 -27.7 12.3 101.7 32.0 115 116 A N T 3 S+ 0 0 51 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.443 88.5 90.8 -93.6 0.1 14.3 103.7 34.6 116 117 A V S < S- 0 0 11 -3,-2.0 -3,-0.2 166,-0.1 261,-0.1 -0.878 78.5-131.1 -99.2 118.8 17.4 101.5 34.1 117 118 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.320 15.8-130.9 -67.7 146.9 19.7 102.8 31.4 118 119 A R - 0 0 94 1,-0.1 164,-0.2 3,-0.0 163,-0.1 -0.582 8.5-137.1 -87.5 156.6 21.0 100.5 28.6 119 120 A L S S+ 0 0 45 162,-2.3 404,-0.4 161,-0.3 163,-0.2 0.631 104.9 49.2 -82.6 -15.2 24.7 100.2 27.6 120 121 A V S > S- 0 0 1 161,-1.3 3,-2.2 401,-0.2 -1,-0.3 -0.885 71.4-170.2-126.3 91.3 23.4 100.2 24.0 121 122 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 400,-0.1 0.733 81.6 69.6 -59.4 -23.0 20.9 103.1 23.6 122 123 A G T 3 S+ 0 0 41 398,-0.4 2,-1.8 1,-0.2 3,-0.2 0.637 73.2 97.6 -70.2 -9.8 19.9 101.7 20.2 123 124 A W < + 0 0 6 -3,-2.2 -1,-0.2 1,-0.2 136,-0.1 -0.489 37.7 151.6 -88.2 81.5 18.2 98.7 21.9 124 125 A T + 0 0 98 -2,-1.8 -1,-0.2 135,-0.2 136,-0.2 0.659 61.1 43.7 -81.5 -24.2 14.6 99.9 21.9 125 126 A K S S- 0 0 104 134,-2.6 136,-0.2 -3,-0.2 137,-0.1 -0.961 95.3 -92.5-126.7 150.1 13.0 96.5 21.7 126 127 A P - 0 0 44 0, 0.0 135,-2.7 0, 0.0 136,-0.8 -0.133 30.1-144.6 -56.7 144.8 13.8 93.2 23.6 127 128 A I E - g 0 262B 0 133,-0.2 2,-0.5 134,-0.2 136,-0.2 -0.965 12.9-155.6-105.8 130.0 16.2 90.6 22.0 128 129 A I E - g 0 263B 4 134,-2.5 136,-3.0 -2,-0.5 2,-0.5 -0.931 3.5-158.3-103.5 133.3 15.2 87.1 22.7 129 130 A V E -Eg 108 264B 0 -21,-3.1 -21,-3.4 -2,-0.5 2,-0.7 -0.941 4.4-163.8-110.2 129.3 17.9 84.5 22.5 130 131 A G E -Eg 107 265B 0 134,-2.5 136,-2.6 -2,-0.5 2,-0.7 -0.939 14.1-162.6-108.8 107.5 17.0 80.9 22.0 131 132 A R E -Eg 106 266B 9 -25,-2.9 -25,-3.1 -2,-0.7 136,-0.2 -0.828 22.2-122.4-100.3 119.3 20.0 79.0 22.9 132 133 A H E -E 105 0B 0 134,-3.1 -27,-0.2 -2,-0.7 139,-0.1 -0.385 23.9-156.8 -55.9 123.4 20.1 75.5 21.7 133 134 A A + 0 0 2 -29,-3.2 2,-0.4 -2,-0.1 -30,-0.2 0.531 57.7 80.7 -88.3 -4.2 20.5 73.5 24.9 134 135 A F S S- 0 0 18 -30,-0.4 134,-0.3 -32,-0.1 5,-0.1 -0.834 84.0 -33.3-111.6 139.5 22.1 70.2 23.6 135 136 A G S > S+ 0 0 3 -2,-0.4 3,-1.6 1,-0.1 46,-0.2 -0.122 75.8 94.5 78.1-150.7 25.6 69.0 22.6 136 137 A D G > S- 0 0 0 44,-3.0 3,-1.7 1,-0.2 44,-0.3 -0.274 108.5 -6.7 52.4-134.6 28.5 70.8 21.0 137 138 A Q G > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.762 130.7 65.3 -62.9 -19.0 31.0 72.2 23.6 138 139 A Y G < S+ 0 0 27 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.387 113.8 28.4 -95.6 3.5 28.8 71.3 26.5 139 140 A R G < S+ 0 0 88 -3,-1.7 -1,-0.3 41,-0.1 -3,-0.2 -0.072 94.2 133.2-146.4 41.0 29.1 67.5 25.9 140 141 A A < - 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0 0 0 -2,-0.7 15,-2.5 13,-0.3 2,-0.1 -0.880 57.2 -87.8-151.7 173.4 34.7 111.7 4.9 771 371 B T B >> -b 785 0H 0 -2,-0.2 4,-2.1 13,-0.2 3,-0.6 -0.457 48.4 -96.3 -90.3 166.6 32.9 109.1 2.7 772 372 B K H 3> S+ 0 0 49 13,-0.6 4,-3.4 1,-0.2 5,-0.2 0.849 117.6 59.8 -50.7 -51.2 29.2 108.5 2.6 773 373 B D H 3> S+ 0 0 53 -49,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.893 113.9 38.6 -47.6 -46.3 29.0 105.5 5.0 774 374 B L H <> S+ 0 0 0 -3,-0.6 4,-1.5 2,-0.2 3,-0.3 0.896 113.5 54.9 -70.9 -44.7 30.6 107.7 7.8 775 375 B A H >X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.924 106.0 53.7 -50.8 -49.3 28.6 110.8 6.9 776 376 B L H 3< S+ 0 0 100 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.812 104.7 53.8 -62.5 -31.5 25.5 108.8 7.2 777 377 B L H 3< S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.805 107.1 52.4 -69.2 -31.2 26.4 107.7 10.8 778 378 B I H << S- 0 0 56 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.945 124.0 -74.0 -73.6 -44.8 26.9 111.3 11.9 779 379 B G >< - 0 0 22 -4,-1.8 3,-1.2 3,-0.1 -1,-0.3 -0.875 45.7 -74.2 159.3 169.5 23.5 112.5 10.7 780 380 B P T 3 S+ 0 0 129 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.673 121.4 51.6 -63.0 -18.4 21.2 113.4 7.6 781 381 B D T 3 S+ 0 0 157 -6,-0.1 -5,-0.1 2,-0.1 -6,-0.0 0.657 76.4 110.9 -92.9 -20.5 23.0 116.7 7.0 782 382 B Q < - 0 0 45 -3,-1.2 -3,-0.1 -7,-0.3 2,-0.1 -0.355 61.7-139.2 -62.7 120.6 26.7 115.7 6.9 783 383 B P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -13,-0.3 -0.461 18.7-157.0 -73.7 160.4 28.1 116.1 3.4 784 384 B W - 0 0 118 -15,-0.1 -13,-0.2 -2,-0.1 2,-0.2 -0.937 9.9-127.7-131.2 158.0 30.4 113.4 2.0 785 385 B L B -b 771 0H 53 -15,-2.5 -13,-0.6 -2,-0.3 2,-0.1 -0.582 31.8-104.8 -93.7 164.8 33.1 113.1 -0.7 786 386 B S > - 0 0 28 -2,-0.2 4,-3.8 -15,-0.1 -62,-0.3 -0.317 43.6 -90.9 -80.1 170.5 33.2 110.6 -3.5 787 387 B T H > S+ 0 0 2 -64,-3.2 4,-1.6 1,-0.2 -63,-0.1 0.879 130.0 33.2 -48.4 -49.7 35.7 107.7 -3.4 788 388 B T H > S+ 0 0 40 -65,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.817 115.3 60.1 -80.5 -32.1 38.5 109.5 -5.2 789 389 B G H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.954 105.9 48.2 -57.2 -46.3 37.4 112.8 -3.7 790 390 B F H X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.2 -2,-0.2 0.972 113.0 47.3 -57.3 -52.1 38.1 111.3 -0.2 791 391 B L H X S+ 0 0 0 -4,-1.6 4,-3.2 -5,-0.2 -1,-0.2 0.868 108.9 54.1 -59.8 -36.2 41.5 110.0 -1.4 792 392 B D H X S+ 0 0 70 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.941 108.1 50.2 -66.0 -39.2 42.5 113.3 -3.0 793 393 B K H X S+ 0 0 43 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.951 111.4 47.3 -61.1 -47.6 41.7 115.1 0.3 794 394 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.932 113.6 50.0 -53.4 -49.4 43.9 112.6 2.2 795 395 B D H X S+ 0 0 27 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.960 111.1 47.8 -53.8 -53.4 46.6 113.1 -0.5 796 396 B E H X S+ 0 0 82 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.937 114.5 46.0 -57.3 -46.2 46.4 116.9 -0.2 797 397 B N H X S+ 0 0 35 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.843 109.9 55.7 -64.0 -31.6 46.5 116.7 3.7 798 398 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.862 106.2 48.0 -74.9 -40.2 49.4 114.3 3.5 799 399 B R H X S+ 0 0 124 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.972 114.3 48.4 -61.9 -50.5 51.6 116.6 1.4 800 400 B K H < S+ 0 0 132 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.957 113.6 46.5 -48.1 -59.1 50.9 119.4 3.8 801 401 B A H < S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.1 50.1 -52.3 -38.9 51.6 117.2 6.8 802 402 B X H < 0 0 48 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.818 360.0 360.0 -74.6 -32.8 54.9 115.9 5.2 803 403 B A < 0 0 126 -4,-2.2 -4,-0.0 -3,-0.4 -3,-0.0 -0.293 360.0 360.0 -63.5 360.0 56.3 119.4 4.3