==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-OCT-12 4HKT . COMPND 2 MOLECULE: INOSITOL 2-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR P.SAMPATHKUMAR,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARC . 1317 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 980 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 14.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 66 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 8 7 4 1 0 0 5 8 7 2 2 0 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 10 0 4 4 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 . 2 4 6 8 0 0 4 8 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 4 0 0 0 0 0 0 0 0 0 0 0 2 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 T 0 0 109 0, 0.0 2,-0.6 0, 0.0 25,-0.3 0.000 360.0 360.0 360.0 118.7 -30.7 -10.0 -6.5 2 3 A V E -a 26 0A 7 23,-3.1 25,-2.3 61,-0.1 2,-0.5 -0.785 360.0-146.1 -89.0 118.8 -29.5 -8.8 -9.9 3 4 A R E -a 27 0A 74 -2,-0.6 60,-2.5 23,-0.2 61,-2.4 -0.778 19.4-156.9 -92.1 123.9 -29.1 -5.0 -10.0 4 5 A F E -ab 28 64A 1 23,-2.6 25,-2.2 -2,-0.5 26,-1.6 -0.763 19.7-161.5-108.9 141.3 -29.9 -3.5 -13.4 5 6 A G E -ab 30 65A 0 59,-2.4 61,-2.2 -2,-0.3 2,-0.5 -0.978 17.1-151.3-107.5 133.1 -29.1 -0.4 -15.4 6 7 A L E -ab 31 66A 4 24,-2.9 26,-2.8 -2,-0.4 2,-0.7 -0.927 5.8-164.3-101.9 124.8 -31.4 0.4 -18.2 7 8 A L E +ab 32 67A 0 59,-2.8 61,-3.2 -2,-0.5 62,-0.3 -0.943 66.5 30.9-108.6 106.5 -29.9 2.4 -21.1 8 9 A G - 0 0 1 24,-3.0 25,-0.2 -2,-0.7 -1,-0.1 0.410 57.0-157.1 111.8 117.7 -32.6 3.8 -23.3 9 10 A A + 0 0 2 4,-0.1 24,-0.1 3,-0.1 -1,-0.1 -0.055 52.1 116.9-116.8 30.5 -36.1 4.9 -22.1 10 11 A G S > S- 0 0 40 58,-0.3 4,-2.2 1,-0.0 5,-0.2 0.021 89.9 -66.7 -81.1-162.7 -38.1 4.7 -25.4 11 12 A R H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.872 137.7 47.6 -61.3 -38.5 -41.0 2.2 -25.8 12 13 A I H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.963 109.6 54.1 -68.5 -45.7 -38.8 -0.9 -25.6 13 14 A G H > S+ 0 0 1 1,-0.2 4,-2.4 55,-0.2 -2,-0.2 0.879 105.6 53.7 -50.6 -43.8 -37.1 0.5 -22.5 14 15 A K H X S+ 0 0 122 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 109.1 47.9 -61.8 -41.9 -40.4 0.9 -20.7 15 16 A V H X S+ 0 0 49 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.925 113.2 47.1 -64.3 -46.0 -41.4 -2.7 -21.4 16 17 A H H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.853 106.9 57.6 -65.7 -34.5 -38.0 -4.0 -20.2 17 18 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.907 105.9 51.5 -59.8 -42.8 -38.2 -1.8 -17.1 18 19 A K H X S+ 0 0 137 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.953 109.7 49.1 -57.0 -52.3 -41.5 -3.5 -16.2 19 20 A A H X S+ 0 0 24 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.882 112.4 46.7 -58.9 -45.4 -40.0 -7.0 -16.6 20 21 A V H >< S+ 0 0 2 -4,-2.4 3,-1.0 2,-0.2 6,-0.3 0.963 114.3 47.1 -60.9 -51.5 -37.0 -6.3 -14.4 21 22 A S H 3< S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.3 5,-0.2 0.909 110.6 50.8 -57.3 -50.6 -39.0 -4.6 -11.6 22 23 A G H 3< S+ 0 0 70 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.3 0.605 88.7 99.7 -66.4 -15.5 -41.6 -7.3 -11.4 23 24 A N X< - 0 0 30 -3,-1.0 3,-1.8 -4,-0.7 -4,-0.0 -0.654 68.9-146.7 -78.9 124.3 -39.0 -10.0 -11.2 24 25 A A T 3 S+ 0 0 97 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.760 99.3 51.9 -57.6 -27.7 -38.5 -11.1 -7.6 25 26 A D T 3 S+ 0 0 83 -24,-0.1 -23,-3.1 -5,-0.0 2,-0.3 0.284 107.1 58.6 -94.7 11.1 -34.8 -11.7 -8.4 26 27 A A E < -a 2 0A 9 -3,-1.8 2,-0.4 -6,-0.3 -23,-0.2 -0.964 55.4-162.4-140.7 155.6 -34.0 -8.3 -9.9 27 28 A R E -a 3 0A 132 -25,-2.3 -23,-2.6 -2,-0.3 2,-0.8 -0.999 23.1-131.1-135.7 133.9 -34.1 -4.6 -9.0 28 29 A L E +a 4 0A 10 -2,-0.4 -23,-0.1 -25,-0.2 3,-0.1 -0.817 33.4 169.6 -82.2 110.6 -34.0 -1.7 -11.4 29 30 A V E + 0 0 6 -25,-2.2 20,-2.0 -2,-0.8 2,-0.3 0.824 55.4 6.7 -93.6 -37.9 -31.3 0.6 -10.0 30 31 A A E -ac 5 49A 0 -26,-1.6 -24,-2.9 18,-0.2 2,-0.4 -1.000 51.0-158.0-156.2 152.1 -30.8 3.2 -12.7 31 32 A V E -ac 6 50A 0 18,-2.0 20,-1.6 -2,-0.3 2,-0.3 -0.996 9.7-172.6-136.2 128.9 -32.0 4.5 -16.0 32 33 A A E +a 7 0A 4 -26,-2.8 -24,-3.0 -2,-0.4 2,-0.3 -0.876 13.4 153.2-118.0 152.5 -30.1 6.6 -18.6 33 34 A D - 0 0 56 -2,-0.3 6,-0.1 18,-0.2 7,-0.0 -0.928 50.2-116.9-168.6 154.2 -31.4 8.3 -21.8 34 35 A A S S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.1 35,-0.0 0.779 105.8 64.7 -68.4 -25.0 -30.4 11.2 -24.0 35 36 A F S >> S- 0 0 133 1,-0.2 4,-1.7 -3,-0.1 3,-1.3 -0.875 77.2-152.5-102.2 105.5 -33.8 12.9 -23.2 36 37 A P H 3> S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 92.3 54.3 -45.1 -46.8 -33.9 13.7 -19.4 37 38 A A H 3> S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.811 105.6 53.1 -62.1 -33.5 -37.7 13.5 -19.1 38 39 A A H <> S+ 0 0 24 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.964 113.1 42.7 -65.5 -51.4 -37.8 10.0 -20.7 39 40 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.888 113.6 52.9 -62.9 -37.7 -35.3 8.7 -18.2 40 41 A E H X S+ 0 0 115 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.895 103.0 57.4 -67.2 -37.9 -37.0 10.5 -15.3 41 42 A A H X S+ 0 0 69 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.872 113.3 39.6 -61.4 -37.5 -40.5 9.1 -16.1 42 43 A I H >X S+ 0 0 7 -4,-1.3 4,-1.7 2,-0.2 3,-0.6 0.966 116.5 47.5 -74.5 -56.0 -39.2 5.5 -15.8 43 44 A A H 3<>S+ 0 0 3 -4,-2.3 5,-2.6 1,-0.3 4,-0.4 0.908 112.9 50.9 -53.2 -45.2 -36.9 6.0 -12.7 44 45 A G H 3<5S+ 0 0 62 -4,-2.7 3,-0.4 1,-0.2 -1,-0.3 0.814 107.8 52.0 -61.7 -35.2 -39.7 7.9 -10.9 45 46 A A H <<5S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.822 117.9 37.1 -73.3 -30.2 -42.2 5.1 -11.6 46 47 A Y T <5S- 0 0 82 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.232 109.8-116.9-109.1 12.9 -39.9 2.4 -10.1 47 48 A G T 5S+ 0 0 75 -3,-0.4 -3,-0.2 -4,-0.4 2,-0.2 0.858 74.8 118.4 56.7 38.9 -38.4 4.5 -7.3 48 49 A C < - 0 0 29 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.613 61.9 -77.4-124.4-172.7 -34.9 4.4 -8.7 49 50 A E E -c 30 0A 98 -20,-2.0 -18,-2.0 -2,-0.2 2,-0.5 -0.551 19.0-136.8 -91.9 148.0 -32.2 6.7 -10.0 50 51 A V E +c 31 0A 64 -20,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.895 40.0 170.2 -87.0 128.2 -31.5 8.6 -13.2 51 52 A R - 0 0 37 -20,-1.6 -18,-0.2 -2,-0.5 2,-0.1 -0.950 35.4-106.4-134.9 160.6 -27.9 8.1 -14.0 52 53 A T > - 0 0 91 -2,-0.3 4,-2.0 -20,-0.1 5,-0.2 -0.430 33.1-115.5 -73.1 158.9 -25.5 8.8 -16.9 53 54 A I H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 119.5 56.0 -57.8 -44.2 -24.3 5.9 -19.0 54 55 A D H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 106.5 49.1 -55.7 -44.0 -20.9 6.8 -17.7 55 56 A A H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 110.4 50.6 -64.0 -37.6 -22.0 6.5 -14.1 56 57 A I H < S+ 0 0 0 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.939 108.8 51.7 -70.0 -41.7 -23.7 3.1 -14.8 57 58 A E H < S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 115.9 40.7 -57.5 -43.6 -20.5 1.8 -16.4 58 59 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.693 92.1 116.0 -75.1 -21.7 -18.4 2.9 -13.4 59 60 A A >< - 0 0 12 -4,-1.6 3,-0.6 -3,-0.2 -3,-0.0 -0.246 49.0-164.9 -68.4 132.9 -21.0 1.8 -10.8 60 61 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.1 0.628 88.7 64.0 -82.0 -16.5 -20.3 -1.1 -8.4 61 62 A D T 3 S+ 0 0 51 2,-0.0 2,-0.5 -5,-0.0 -1,-0.2 0.155 85.5 86.5 -96.4 19.1 -24.0 -1.4 -7.6 62 63 A I < + 0 0 6 -3,-0.6 -58,-0.2 -6,-0.1 3,-0.1 -0.982 42.7 172.1-120.4 121.8 -25.0 -2.5 -11.1 63 64 A D + 0 0 54 -60,-2.5 24,-2.7 -2,-0.5 2,-0.3 0.712 68.4 16.0 -94.9 -28.5 -24.8 -6.2 -12.1 64 65 A A E -bd 4 87A 0 -61,-2.4 -59,-2.4 22,-0.3 2,-0.4 -0.977 59.9-150.7-149.2 154.4 -26.5 -6.1 -15.5 65 66 A V E -bd 5 88A 0 22,-2.4 24,-2.5 -2,-0.3 2,-0.5 -0.989 6.8-151.1-128.6 140.1 -27.5 -3.6 -18.2 66 67 A V E -bd 6 89A 2 -61,-2.2 -59,-2.8 -2,-0.4 2,-0.6 -0.968 18.8-150.2-105.8 120.8 -30.3 -3.7 -20.8 67 68 A I E +bd 7 90A 0 22,-3.2 24,-2.6 -2,-0.5 -59,-0.2 -0.854 35.4 149.2-100.9 113.0 -29.3 -1.8 -24.0 68 69 A C + 0 0 25 -61,-3.2 -58,-0.3 -2,-0.6 -55,-0.2 -0.049 36.5 118.5-125.4 20.4 -32.3 -0.1 -25.8 69 70 A T S S- 0 0 24 -62,-0.3 5,-0.1 1,-0.2 22,-0.1 -0.247 78.2 -58.6 -80.7 177.5 -30.4 2.9 -27.3 70 71 A P > - 0 0 89 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.175 52.2-110.1 -60.6 154.1 -30.1 3.5 -31.1 71 72 A T G > S+ 0 0 45 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.815 113.3 64.7 -53.1 -39.3 -28.4 0.8 -33.1 72 73 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.562 102.7 51.0 -69.8 -3.0 -25.3 2.9 -33.9 73 74 A T G <> S+ 0 0 42 -3,-2.1 4,-2.4 2,-0.1 -1,-0.3 0.564 86.5 87.9-100.9 -7.0 -24.5 2.8 -30.1 74 75 A H H <> S+ 0 0 4 -3,-1.5 4,-2.8 -4,-0.4 5,-0.2 0.896 86.5 44.6 -65.2 -50.2 -24.8 -1.0 -29.6 75 76 A A H > S+ 0 0 2 19,-0.6 4,-2.3 -4,-0.5 -1,-0.2 0.958 116.5 47.3 -61.8 -50.1 -21.3 -2.3 -30.4 76 77 A D H > S+ 0 0 86 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 114.5 47.0 -54.1 -46.8 -19.6 0.5 -28.4 77 78 A L H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.922 110.1 51.7 -67.4 -42.6 -21.9 0.1 -25.4 78 79 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.908 111.1 48.2 -58.0 -46.7 -21.5 -3.7 -25.3 79 80 A E H X S+ 0 0 24 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.950 112.4 49.5 -58.5 -48.0 -17.7 -3.4 -25.4 80 81 A R H X S+ 0 0 75 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.942 114.7 42.3 -58.1 -49.5 -17.8 -0.8 -22.6 81 82 A F H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.4 0.841 111.2 55.5 -75.3 -27.8 -20.0 -2.9 -20.3 82 83 A A H ><5S+ 0 0 3 -4,-2.3 3,-0.9 -5,-0.3 -1,-0.2 0.902 109.3 47.3 -63.3 -42.7 -18.2 -6.1 -21.0 83 84 A R H 3<5S+ 0 0 161 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.870 109.8 54.7 -65.8 -33.4 -15.0 -4.4 -19.9 84 85 A A T 3<5S- 0 0 39 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.465 116.1-116.0 -80.8 -3.8 -16.8 -3.1 -16.8 85 86 A G T < 5 + 0 0 66 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.681 65.9 139.0 82.0 19.5 -17.9 -6.6 -15.9 86 87 A K < - 0 0 15 -5,-2.4 28,-0.3 -29,-0.0 -1,-0.3 -0.673 57.1-113.6 -93.4 151.6 -21.6 -6.2 -16.2 87 88 A A E -d 64 0A 9 -24,-2.7 -22,-2.4 -2,-0.3 2,-0.4 -0.622 39.8-143.0 -73.8 145.4 -24.0 -8.8 -17.8 88 89 A I E -de 65 115A 0 26,-3.2 28,-2.6 -2,-0.3 2,-0.5 -0.953 28.0-179.9-127.5 127.5 -25.4 -7.5 -21.0 89 90 A F E -de 66 116A 0 -24,-2.5 -22,-3.2 -2,-0.4 2,-0.4 -0.995 21.1-175.5-112.2 121.5 -28.8 -7.8 -22.7 90 91 A C E -de 67 117A 1 26,-2.9 28,-2.4 -2,-0.5 -22,-0.2 -0.969 25.9-124.2-122.5 130.1 -28.8 -5.8 -26.0 91 92 A E - 0 0 26 -24,-2.6 28,-0.1 -2,-0.4 -22,-0.1 -0.309 62.9 -53.6 -57.1 145.2 -31.6 -5.2 -28.5 92 93 A K S S+ 0 0 31 26,-0.4 -1,-0.1 25,-0.1 2,-0.1 -0.337 105.2 42.3 -61.4 153.2 -30.7 -6.4 -32.0 93 94 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 -19,-0.1 0.745 50.0-156.3 -98.5 175.6 -28.4 -5.9 -33.8 94 95 A I S S- 0 0 3 1,-0.4 -19,-0.6 209,-0.1 2,-0.3 0.934 86.2 -36.5 -66.1 -44.0 -24.9 -5.7 -32.3 95 96 A D - 0 0 29 -21,-0.2 -1,-0.4 -20,-0.1 -23,-0.1 -0.940 52.0-117.5-168.7 159.0 -24.0 -3.6 -35.3 96 97 A L S S+ 0 0 46 -2,-0.3 2,-0.5 -3,-0.2 -24,-0.0 0.624 98.6 75.0 -78.0 -13.0 -25.1 -3.5 -39.0 97 98 A D S > S- 0 0 86 1,-0.1 4,-2.2 -3,-0.0 5,-0.1 -0.903 71.2-152.6-107.1 119.9 -21.5 -4.1 -40.0 98 99 A A H > S+ 0 0 12 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.828 95.7 54.3 -65.5 -33.8 -20.2 -7.7 -39.6 99 100 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 109.1 49.1 -65.7 -42.7 -16.6 -6.7 -39.1 100 101 A R H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.914 110.5 52.0 -58.9 -41.0 -17.6 -4.3 -36.4 101 102 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.922 106.6 52.1 -62.7 -44.5 -19.6 -7.2 -34.8 102 103 A R H X S+ 0 0 119 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.918 109.9 49.4 -59.8 -42.0 -16.6 -9.5 -34.9 103 104 A A H >X S+ 0 0 46 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.947 111.0 50.4 -59.7 -49.2 -14.5 -6.8 -33.1 104 105 A C H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 110.1 49.8 -54.3 -45.7 -17.3 -6.4 -30.5 105 106 A L H 3X S+ 0 0 30 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.755 103.7 58.3 -70.9 -25.4 -17.4 -10.2 -29.9 106 107 A K H S+ 0 0 17 -4,-2.2 5,-2.0 1,-0.2 4,-0.3 0.914 114.1 44.5 -57.3 -42.1 -16.9 -10.0 -25.3 109 110 A S H <5S+ 0 0 83 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.855 112.1 49.0 -71.8 -41.8 -14.8 -13.1 -25.5 110 111 A D H <5S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.869 116.7 43.5 -69.1 -35.2 -11.5 -11.8 -24.0 111 112 A T T <5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.494 104.5-132.8 -84.2 -4.6 -13.5 -10.2 -21.0 112 113 A K T 5 + 0 0 183 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.819 46.6 169.1 51.5 36.6 -15.6 -13.4 -20.7 113 114 A A < - 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0 0 13 -4,-2.0 3,-0.8 -3,-0.2 -3,-0.0 -0.237 48.5-163.0 -62.4 125.9 -62.4 -44.4 -86.1 391 61 B A T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.750 90.7 64.2 -69.3 -26.5 -65.1 -42.1 -87.5 392 62 B D T 3 S+ 0 0 49 2,-0.0 2,-0.4 -32,-0.0 -1,-0.2 0.027 86.1 85.4 -92.1 27.9 -67.0 -42.6 -84.2 393 63 B I < + 0 0 7 -3,-0.8 -58,-0.2 1,-0.1 3,-0.1 -0.996 42.5 170.8-126.9 125.2 -64.4 -40.9 -82.0 394 64 B D + 0 0 74 -60,-2.7 24,-2.4 -2,-0.4 2,-0.3 0.688 69.4 14.0 -95.4 -29.2 -64.4 -37.0 -81.6 395 65 B A E -pr 335 418E 0 -61,-1.9 -59,-2.3 22,-0.3 2,-0.3 -0.989 62.4-145.4-153.6 147.3 -61.8 -36.7 -78.9 396 66 B V E -pr 336 419E 0 22,-2.7 24,-2.7 -2,-0.3 2,-0.5 -0.929 4.8-152.2-121.6 148.7 -59.1 -38.6 -77.2 397 67 B V E -pr 337 420E 2 -61,-2.1 -59,-3.0 -2,-0.3 2,-0.7 -0.987 17.9-152.2-114.2 117.9 -57.8 -38.6 -73.6 398 68 B I E +pr 338 421E 0 22,-3.1 24,-2.6 -2,-0.5 -59,-0.2 -0.855 34.9 149.7-102.1 110.5 -54.1 -39.6 -73.6 399 69 B C + 0 0 18 -61,-3.7 -58,-0.4 -2,-0.7 -55,-0.3 -0.076 35.9 120.4-124.3 23.3 -53.1 -41.2 -70.3 400 70 B T S S- 0 0 19 1,-0.2 5,-0.1 -62,-0.2 22,-0.1 -0.236 77.5 -57.9 -80.4 177.5 -50.4 -43.5 -71.7 401 71 B P > - 0 0 74 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.223 53.7-109.7 -57.8 152.8 -46.8 -43.4 -70.5 402 72 B T G > S+ 0 0 34 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.796 113.3 64.5 -53.1 -41.0 -44.9 -40.0 -70.9 403 73 B D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.566 103.0 50.1 -64.5 -7.0 -42.6 -41.2 -73.7 404 74 B T G <> S+ 0 0 43 -3,-2.1 4,-2.2 2,-0.1 -1,-0.2 0.538 86.8 90.0-102.0 -10.0 -45.7 -41.7 -76.0 405 75 B H H <> S+ 0 0 3 -3,-1.3 4,-2.7 -4,-0.5 5,-0.2 0.904 84.7 44.0 -56.6 -55.2 -47.3 -38.3 -75.5 406 76 B A H > S+ 0 0 2 19,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.908 116.4 46.6 -66.2 -39.3 -45.8 -36.1 -78.2 407 77 B D H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 113.1 49.7 -66.5 -41.6 -46.2 -38.7 -80.9 408 78 B L H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.915 109.1 51.9 -67.4 -38.8 -49.8 -39.5 -79.9 409 79 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.949 111.6 47.2 -59.4 -48.8 -50.7 -35.8 -79.9 410 80 B E H X S+ 0 0 27 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.921 113.1 48.9 -60.9 -43.0 -49.3 -35.4 -83.4 411 81 B R H X S+ 0 0 77 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.925 114.9 42.7 -62.5 -45.6 -51.1 -38.5 -84.7 412 82 B F H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.858 111.6 55.6 -76.4 -28.5 -54.5 -37.5 -83.3 413 83 B A H ><5S+ 0 0 3 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.946 110.5 45.1 -60.3 -52.9 -54.0 -33.9 -84.4 414 84 B R H 3<5S+ 0 0 165 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.823 110.3 55.2 -62.1 -30.8 -53.5 -35.1 -87.9 415 85 B A T 3<5S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.479 116.6-114.3 -79.9 -3.6 -56.4 -37.5 -87.6 416 86 B G T < 5 + 0 0 64 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.631 67.5 139.4 81.9 15.4 -58.7 -34.6 -86.6 417 87 B K < - 0 0 18 -5,-2.6 28,-0.3 -29,-0.0 2,-0.3 -0.641 56.9-118.3 -85.1 148.3 -59.5 -35.7 -83.1 418 88 B A E -r 395 0E 9 -24,-2.4 -22,-2.7 -2,-0.2 2,-0.5 -0.660 38.5-143.6 -75.1 148.8 -59.6 -33.1 -80.2 419 89 B I E -rs 396 446E 0 26,-2.7 28,-2.2 -2,-0.3 2,-0.5 -0.956 26.9-176.7-130.7 125.4 -56.9 -34.0 -77.7 420 90 B F E -rs 397 447E 0 -24,-2.7 -22,-3.1 -2,-0.5 2,-0.5 -0.989 21.3-171.1-111.1 123.2 -56.6 -33.9 -74.0 421 91 B C E -rs 398 448E 0 26,-2.6 28,-2.3 -2,-0.5 -22,-0.1 -0.958 20.5-128.7-122.8 124.5 -53.2 -35.0 -72.9 422 92 B E E - s 0 449E 20 -24,-2.6 28,-0.1 -2,-0.5 -22,-0.1 -0.280 60.8 -47.4 -55.7 148.6 -51.9 -35.7 -69.4 423 93 B K S S+ 0 0 29 26,-0.5 -1,-0.1 25,-0.0 2,-0.1 -0.264 108.2 38.9 -57.7 149.5 -48.7 -33.9 -68.4 424 94 B P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 -19,-0.1 0.788 48.8-159.5 -93.2 177.3 -46.2 -33.6 -69.9 425 95 B I S S- 0 0 5 1,-0.4 -19,-0.5 209,-0.1 2,-0.3 0.907 86.7 -36.0 -69.0 -46.6 -46.3 -33.1 -73.7 426 96 B D - 0 0 31 -21,-0.2 -1,-0.4 -20,-0.1 -23,-0.1 -0.947 50.6-118.7-164.7 160.4 -42.7 -34.4 -73.6 427 97 B L S S+ 0 0 43 -2,-0.3 2,-0.5 -3,-0.2 -24,-0.0 0.634 98.4 73.5 -78.4 -11.3 -39.7 -34.0 -71.2 428 98 B D S > S- 0 0 86 1,-0.1 4,-1.9 -3,-0.0 3,-0.2 -0.905 71.1-152.1-110.7 122.5 -37.7 -32.3 -74.0 429 99 B A H > S+ 0 0 14 -2,-0.5 4,-2.5 1,-0.3 -1,-0.1 0.830 95.9 54.7 -68.3 -33.8 -38.7 -28.8 -74.8 430 100 B E H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.937 109.1 48.6 -62.0 -47.3 -37.5 -28.9 -78.4 431 101 B R H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.872 109.6 53.3 -54.8 -41.3 -39.8 -32.0 -79.0 432 102 B V H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.932 107.7 51.0 -62.0 -47.0 -42.6 -30.1 -77.3 433 103 B R H X S+ 0 0 121 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.887 109.2 49.8 -55.5 -43.0 -42.1 -27.2 -79.8 434 104 B A H X S+ 0 0 48 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.898 111.3 50.1 -63.4 -42.7 -42.2 -29.6 -82.7 435 105 B C H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.945 108.5 50.7 -61.0 -50.4 -45.4 -31.1 -81.5 436 106 B L H X S+ 0 0 31 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.822 105.3 58.0 -59.6 -31.9 -47.1 -27.7 -81.0 437 107 B K H X S+ 0 0 132 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.942 107.7 46.5 -65.0 -42.2 -46.2 -26.7 -84.5 438 108 B V H X S+ 0 0 18 -4,-1.6 4,-2.0 1,-0.2 6,-0.2 0.931 112.6 50.4 -64.1 -42.9 -48.1 -29.8 -85.8 439 109 B V H <>S+ 0 0 17 -4,-2.4 5,-2.1 1,-0.2 4,-0.3 0.902 113.7 45.1 -61.0 -42.9 -51.0 -28.9 -83.5 440 110 B S H ><5S+ 0 0 86 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.922 111.7 51.9 -66.0 -44.9 -51.0 -25.3 -84.9 441 111 B D H 3<5S+ 0 0 107 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.836 115.7 40.8 -61.9 -33.9 -50.7 -26.5 -88.5 442 112 B T T 3<5S- 0 0 54 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.361 106.5-124.5 -94.4 1.7 -53.6 -28.9 -88.2 443 113 B K T < 5 + 0 0 184 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.858 51.1 170.9 51.4 40.0 -55.8 -26.5 -86.2 444 114 B A < - 0 0 22 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.428 35.4-124.6 -75.9 152.1 -56.1 -29.2 -83.6 445 115 B K + 0 0 80 -28,-0.3 -26,-2.7 -2,-0.1 2,-0.4 -0.888 35.0 174.9 -97.6 122.9 -57.6 -28.6 -80.1 446 116 B L E +s 419 0E 9 -2,-0.5 188,-0.5 -28,-0.2 2,-0.4 -0.982 12.6 179.8-135.3 123.7 -55.2 -29.6 -77.3 447 117 B X E -s 420 0E 1 -28,-2.2 -26,-2.6 -2,-0.4 2,-0.3 -0.964 19.8-144.2-115.1 140.0 -55.7 -29.2 -73.6 448 118 B V E -s 421 0E 4 184,-1.9 2,-1.9 -2,-0.4 -26,-0.2 -0.732 27.3-102.1-103.1 156.6 -52.9 -30.4 -71.3 449 119 B G E +s 422 0E 0 -28,-2.3 2,-0.9 -2,-0.3 -26,-0.5 -0.429 63.0 138.4 -83.9 71.5 -53.7 -31.9 -68.0 450 120 B F > + 0 0 4 -2,-1.9 3,-1.5 1,-0.2 4,-0.1 -0.723 25.1 172.6-104.1 80.2 -53.0 -29.2 -65.4 451 121 B N G > + 0 0 4 -2,-0.9 3,-2.5 1,-0.3 4,-0.3 0.718 61.1 76.7 -65.6 -22.4 -56.1 -30.2 -63.4 452 122 B R G > S+ 0 0 9 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.803 83.2 66.3 -62.8 -25.7 -55.3 -27.9 -60.5 453 123 B R G < S+ 0 0 27 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.647 102.7 48.4 -65.7 -15.6 -56.5 -25.0 -62.5 454 124 B F G < S+ 0 0 20 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.330 79.3 120.0-106.9 0.5 -60.0 -26.6 -62.4 455 125 B D <> - 0 0 0 -3,-1.1 4,-2.9 -4,-0.3 5,-0.3 -0.499 67.4-132.6 -63.6 133.3 -60.2 -27.2 -58.7 456 126 B P H > S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.879 104.2 47.1 -61.5 -33.1 -63.1 -25.3 -57.2 457 127 B H H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.942 115.0 43.3 -73.1 -47.5 -60.9 -23.9 -54.3 458 128 B F H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 112.5 54.3 -65.5 -34.4 -58.0 -22.9 -56.5 459 129 B X H X S+ 0 0 89 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.901 106.4 52.1 -64.3 -41.0 -60.4 -21.4 -59.1 460 130 B A H X S+ 0 0 20 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.821 106.0 54.6 -67.2 -29.8 -62.0 -19.3 -56.4 461 131 B V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.974 111.4 44.7 -63.4 -50.9 -58.6 -18.0 -55.4 462 132 B R H X S+ 0 0 42 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.899 111.9 52.1 -60.1 -43.1 -58.0 -16.9 -58.9 463 133 B K H X S+ 0 0 124 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.885 107.0 53.4 -59.4 -41.1 -61.5 -15.4 -59.2 464 134 B A H <>S+ 0 0 4 -4,-2.1 5,-2.2 2,-0.2 6,-0.4 0.921 111.1 46.2 -61.4 -40.6 -60.9 -13.4 -56.0 465 135 B I H ><5S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.926 112.7 49.6 -66.6 -46.1 -57.7 -12.0 -57.6 466 136 B D H 3<5S+ 0 0 101 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.9 56.6 -55.3 -42.2 -59.6 -11.3 -60.9 467 137 B D T 3<5S- 0 0 93 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.475 116.9-114.6 -72.2 -0.4 -62.3 -9.5 -58.9 468 138 B G T X 5S+ 0 0 38 -3,-1.5 3,-1.1 -4,-0.2 -3,-0.2 0.578 71.4 139.1 81.5 11.1 -59.7 -7.2 -57.3 469 139 B R T 3 - 0 0 84 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.312 37.5-105.2 -72.6 161.5 -40.6 -46.1 -57.1 488 158 B V H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 117.4 57.6 -55.6 -40.9 -37.1 -45.9 -58.6 489 159 B D H > S+ 0 0 105 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.918 111.6 44.2 -61.1 -38.1 -38.2 -47.4 -62.0 490 160 B Y H >4 S+ 0 0 64 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.943 110.5 55.3 -67.7 -48.8 -40.7 -44.5 -62.3 491 161 B I H ><>S+ 0 0 7 -4,-2.5 3,-2.0 1,-0.2 5,-0.6 0.931 102.4 56.9 -47.9 -51.3 -38.2 -41.9 -61.1 492 162 B K H 3<5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.733 114.8 36.6 -57.6 -25.7 -35.7 -42.9 -63.9 493 163 B R T <<5S+ 0 0 140 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.303 100.4 81.6-107.3 12.5 -38.2 -42.2 -66.6 494 164 B S T < 5S- 0 0 4 -3,-2.0 -2,-0.1 -4,-0.4 -1,-0.1 0.563 95.1-120.6 -94.7 -14.4 -39.8 -39.1 -65.0 495 165 B G T 5 - 0 0 24 -4,-0.4 4,-0.4 -3,-0.2 3,-0.2 0.461 64.4 -75.4 78.4 2.7 -37.4 -36.4 -65.9 496 166 B G >< - 0 0 15 -5,-0.6 4,-2.5 1,-0.2 3,-0.4 -0.048 62.1 -60.1 92.6 166.4 -36.8 -35.7 -62.2 497 167 B I H >>S+ 0 0 1 41,-0.3 4,-3.0 1,-0.2 5,-2.2 0.834 129.9 52.5 -57.6 -35.4 -38.7 -34.0 -59.4 498 168 B F H 4>S+ 0 0 6 1,-0.2 5,-0.7 3,-0.2 -1,-0.2 0.916 117.4 37.6 -68.3 -41.3 -38.9 -30.6 -61.2 499 169 B R H 45S+ 0 0 57 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.782 126.8 37.1 -76.0 -28.5 -40.3 -32.0 -64.4 500 170 B D H <5S+ 0 0 14 -4,-2.5 -2,-0.2 3,-0.1 -3,-0.2 0.833 134.5 7.8 -97.5 -38.6 -42.5 -34.6 -62.7 501 171 B X T >X5S+ 0 0 6 -4,-3.0 3,-1.5 -5,-0.3 4,-0.6 0.783 125.2 50.0-111.2 -56.1 -43.9 -32.9 -59.6 502 172 B T H >> S+ 0 0 21 -3,-1.5 4,-2.4 2,-0.2 -1,-0.3 0.880 110.4 48.5 -60.3 -39.9 -47.8 -28.5 -61.6 505 175 B D H > - 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