==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-02 1LWD . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.CECCARELLI,B.J.BAHNSON . 826 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 56 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 4 2 4 2 2 0 0 4 0 2 2 1 5 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 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 0 4 2 2 2 0 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 1 A A 0 0 145 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-136.7 73.1 5.5 41.4 2 2 A D - 0 0 145 1,-0.2 2,-0.1 0, 0.0 0, 0.0 -0.639 360.0 -7.6-160.3-141.8 73.8 1.7 41.9 3 3 A Q - 0 0 137 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.443 65.0-128.7 -72.0 145.1 72.1 -1.7 41.3 4 4 A R - 0 0 97 -2,-0.1 32,-0.2 -3,-0.1 2,-0.2 -0.734 31.3 -96.8 -95.6 146.3 68.5 -1.6 40.3 5 5 A I E -a 36 0A 35 30,-2.6 32,-3.1 -2,-0.3 2,-0.4 -0.442 39.4-132.9 -64.8 126.2 65.9 -3.6 42.2 6 6 A K E -a 37 0A 123 -2,-0.2 2,-0.5 30,-0.2 346,-0.2 -0.675 16.6-160.0 -85.2 130.1 65.3 -6.9 40.3 7 7 A V - 0 0 19 30,-1.8 32,-0.2 -2,-0.4 337,-0.0 -0.955 6.4-160.5-113.0 123.0 61.7 -7.9 39.9 8 8 A A S S+ 0 0 77 -2,-0.5 -1,-0.1 30,-0.1 30,-0.0 0.808 74.1 44.4 -71.8 -33.7 61.0 -11.6 39.1 9 9 A K S S- 0 0 109 334,-0.1 30,-0.3 1,-0.1 338,-0.1 -0.850 86.6-108.8-115.4 152.1 57.6 -11.2 37.6 10 10 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.174 19.3-141.6 -73.7 167.5 56.2 -8.7 35.1 11 11 A V E -b 40 0B 0 28,-2.2 30,-2.3 58,-0.1 2,-0.4 -0.998 19.0-124.1-130.1 131.8 53.8 -5.9 35.6 12 12 A V E -bc 41 71B 0 58,-2.9 60,-2.3 -2,-0.4 2,-0.5 -0.632 25.2-159.2 -78.2 131.9 51.1 -5.0 33.1 13 13 A E E -bc 42 72B 3 28,-2.5 30,-2.5 -2,-0.4 2,-0.7 -0.963 6.5-164.5-117.1 123.3 51.3 -1.3 32.0 14 14 A M E -bc 43 73B 0 58,-2.8 60,-2.7 -2,-0.5 30,-0.2 -0.904 14.2-150.5-109.5 105.7 48.3 0.4 30.4 15 15 A D E -b 44 0B 7 28,-2.4 30,-1.3 -2,-0.7 6,-0.1 -0.396 18.9-166.0 -72.8 152.4 49.3 3.6 28.7 16 16 A G - 0 0 0 28,-0.1 60,-0.3 29,-0.1 2,-0.2 -0.172 14.0 -65.7-120.1-149.1 46.8 6.5 28.5 17 17 A D >> - 0 0 5 58,-2.2 4,-1.7 29,-0.1 3,-0.7 -0.708 66.8 -31.6-115.7 162.2 45.9 9.8 26.9 18 18 A E H 3> S- 0 0 7 -2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.053 118.1 -3.4 39.6-132.1 46.9 13.4 26.5 19 19 A M H 3> S+ 0 0 1 292,-1.2 4,-2.4 1,-0.2 5,-0.3 0.856 133.8 54.9 -59.4 -38.2 48.7 15.1 29.4 20 20 A T H <> S+ 0 0 0 -3,-0.7 4,-2.0 291,-0.7 -1,-0.2 0.885 105.9 53.8 -63.0 -35.7 48.5 12.1 31.7 21 21 A R H X S+ 0 0 75 -4,-1.7 4,-1.6 -3,-0.4 -1,-0.2 0.898 109.0 50.0 -62.8 -40.2 50.2 10.1 29.0 22 22 A I H X S+ 0 0 32 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.938 114.2 41.1 -64.9 -49.9 53.0 12.6 28.9 23 23 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.777 107.2 64.9 -71.6 -24.2 53.6 12.7 32.7 24 24 A W H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.939 105.1 44.6 -60.9 -46.5 53.2 8.9 32.8 25 25 A Q H X S+ 0 0 64 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.896 110.9 54.3 -65.1 -40.3 56.3 8.6 30.6 26 26 A F H X S+ 0 0 54 -4,-1.6 4,-2.8 1,-0.2 5,-0.4 0.929 109.7 47.6 -58.1 -47.1 58.1 11.2 32.8 27 27 A I H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-1.6 0.914 112.0 50.2 -59.9 -45.3 57.3 9.2 35.9 28 28 A K H <>S+ 0 0 17 -4,-2.2 5,-2.6 3,-0.2 4,-0.4 0.935 118.0 37.6 -59.6 -49.5 58.5 6.0 34.2 29 29 A E H <5S+ 0 0 104 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.825 126.0 34.7 -74.8 -34.8 61.8 7.5 33.1 30 30 A K H <5S+ 0 0 49 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.832 132.2 17.6 -91.7 -35.1 62.6 9.7 36.1 31 31 A L T <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.4 4,-0.2 0.759 126.4 31.6-111.2 -30.5 61.3 7.7 39.0 32 32 A I T >> S- 0 0 0 -30,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.383 71.3-112.7 -62.1 146.9 45.7 5.6 24.2 47 47 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 114.9 56.9 -51.6 -42.7 42.6 6.5 22.2 48 48 A P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.919 110.7 42.7 -57.6 -44.2 44.4 6.3 18.9 49 49 A N H > S+ 0 0 35 -3,-0.5 4,-1.8 2,-0.2 8,-0.2 0.818 110.2 55.9 -73.3 -31.0 45.6 2.7 19.5 50 50 A R H <>S+ 0 0 0 -4,-2.0 5,-3.8 2,-0.2 6,-0.3 0.923 109.7 47.5 -65.5 -40.8 42.2 1.6 20.8 51 51 A D H ><5S+ 0 0 26 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.906 110.6 52.0 -65.1 -41.1 40.6 2.9 17.6 52 52 A Q H 3<5S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 116.0 39.6 -65.6 -31.9 43.3 1.1 15.5 53 53 A T T ><5S- 0 0 43 -4,-1.8 3,-2.1 -5,-0.1 -1,-0.2 0.210 112.8-113.5-102.6 14.5 42.7 -2.2 17.3 54 54 A N T < 5S- 0 0 95 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.871 72.6 -62.2 54.4 37.7 38.9 -1.8 17.5 55 55 A D T >> + 0 0 84 -3,-2.1 4,-2.7 -6,-0.3 5,-0.2 0.840 63.1 66.1 -68.9 -30.9 40.7 -5.2 21.4 57 57 A V H 3> S+ 0 0 10 1,-0.2 4,-2.1 -8,-0.2 -1,-0.2 0.832 96.9 56.7 -58.7 -32.4 43.9 -3.9 23.1 58 58 A T H <> S+ 0 0 0 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.939 109.4 43.4 -64.7 -47.5 41.7 -3.0 26.1 59 59 A I H X S+ 0 0 60 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.915 112.3 54.3 -64.0 -43.7 40.4 -6.5 26.4 60 60 A D H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 105.6 52.8 -58.6 -40.1 43.9 -7.9 25.9 61 61 A S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.858 108.1 51.0 -65.8 -34.3 45.3 -5.7 28.7 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.916 110.6 48.1 -69.1 -42.3 42.7 -7.1 31.1 63 63 A L H X S+ 0 0 84 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 110.1 52.7 -64.1 -39.5 43.5 -10.7 30.2 64 64 A A H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.875 106.1 54.7 -63.3 -36.8 47.2 -9.9 30.7 65 65 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.860 106.5 50.5 -66.0 -35.5 46.4 -8.5 34.1 66 66 A Q H < S+ 0 0 95 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.900 113.7 46.4 -68.7 -37.4 44.7 -11.8 35.1 67 67 A K H < S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.940 124.7 28.9 -69.4 -48.0 47.7 -13.7 33.9 68 68 A Y H < S- 0 0 49 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.572 96.0-135.6 -92.9 -9.9 50.4 -11.6 35.6 69 69 A S S < S+ 0 0 5 -4,-2.0 234,-2.0 -5,-0.3 2,-0.4 0.229 73.3 72.8 78.1 -13.4 48.3 -10.4 38.6 70 70 A V E + d 0 303B 0 -6,-0.2 -58,-2.9 232,-0.2 2,-0.3 -0.992 48.4 171.5-140.7 135.1 49.3 -6.7 38.6 71 71 A A E -cd 12 304B 0 232,-1.1 234,-2.8 -2,-0.4 2,-0.4 -0.987 15.8-158.5-138.5 146.6 48.5 -3.7 36.3 72 72 A V E -cd 13 305B 0 -60,-2.3 -58,-2.8 -2,-0.3 2,-0.4 -0.998 20.5-159.0-125.0 125.3 49.2 0.0 36.5 73 73 A K E -cd 14 306B 1 232,-3.0 234,-1.5 -2,-0.4 2,-0.2 -0.922 11.1-145.8-120.8 135.4 46.9 2.2 34.4 74 74 A C - 0 0 0 -60,-2.7 -53,-0.1 -2,-0.4 237,-0.1 -0.601 44.4 -86.4 -87.4 146.5 47.3 5.8 33.1 75 75 A A - 0 0 2 -2,-0.2 -58,-2.2 235,-0.1 2,-0.3 -0.229 52.8-164.4 -53.6 140.7 44.2 8.0 32.8 76 76 A T - 0 0 17 -60,-0.3 2,-0.4 233,-0.2 -30,-0.1 -0.841 20.0-106.5-128.2 166.0 42.3 7.5 29.5 77 77 A I - 0 0 8 -2,-0.3 233,-0.0 233,-0.1 -59,-0.0 -0.771 17.2-151.4 -94.8 131.7 39.7 9.2 27.4 78 78 A T - 0 0 33 -2,-0.4 17,-0.1 17,-0.1 5,-0.1 -0.906 36.1-117.8-103.5 104.3 36.1 7.8 27.2 79 79 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 16,-0.1 -0.074 37.6 174.7 -46.0 127.6 35.0 9.0 23.7 80 80 A D > - 0 0 49 551,-0.0 4,-2.1 0, 0.0 3,-0.4 -0.653 53.5 -78.8-122.7 179.9 32.0 11.3 23.4 81 81 A E H > S+ 0 0 90 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.894 130.8 49.0 -49.7 -47.7 30.7 12.9 20.2 82 82 A A H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 110.0 51.1 -62.8 -36.8 33.4 15.6 20.1 83 83 A R H > S+ 0 0 37 -3,-0.4 4,-3.0 2,-0.2 6,-0.3 0.851 103.7 58.8 -69.8 -34.6 36.2 13.1 20.6 84 84 A V H X>S+ 0 0 38 -4,-2.1 5,-1.8 1,-0.2 4,-0.6 0.927 112.5 40.0 -59.4 -43.9 34.8 11.0 17.7 85 85 A E H <5S+ 0 0 135 -4,-1.6 3,-0.3 3,-0.2 -2,-0.2 0.928 115.7 50.9 -70.5 -46.4 35.3 14.0 15.5 86 86 A E H <5S+ 0 0 84 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.926 123.2 29.2 -57.1 -50.2 38.6 15.1 17.0 87 87 A F H <5S- 0 0 51 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.423 103.5-125.5 -92.3 0.0 40.2 11.6 16.8 88 88 A K T <5 - 0 0 167 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.937 41.2-168.7 54.2 49.0 38.3 10.6 13.7 89 89 A L < - 0 0 15 -5,-1.8 -1,-0.1 -6,-0.3 3,-0.1 -0.381 28.4-143.0 -71.0 146.6 37.1 7.5 15.5 90 90 A K S S+ 0 0 119 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.675 87.9 7.0 -81.7 -18.1 35.4 4.7 13.6 91 91 A K S S- 0 0 129 -7,-0.0 2,-1.8 3,-0.0 -1,-0.2 -0.974 82.4-103.4-157.1 157.0 33.1 4.1 16.6 92 92 A M - 0 0 58 -2,-0.3 -11,-0.1 -3,-0.1 -8,-0.0 -0.605 49.7-146.8 -87.2 78.0 32.4 5.8 20.0 93 93 A W - 0 0 19 -2,-1.8 -42,-0.0 1,-0.1 -38,-0.0 -0.115 14.8-113.3 -47.7 136.3 34.4 3.2 21.9 94 94 A K - 0 0 127 1,-0.2 -1,-0.1 -16,-0.1 535,-0.1 -0.229 49.7 -65.2 -71.5 162.1 33.0 2.4 25.4 95 95 A S > - 0 0 11 533,-0.3 4,-2.0 1,-0.2 -1,-0.2 -0.226 39.2-150.9 -48.7 120.1 34.8 3.3 28.6 96 96 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.831 97.8 56.6 -66.0 -29.4 38.0 1.2 28.8 97 97 A N H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.938 106.1 49.4 -66.2 -44.0 37.8 1.3 32.6 98 98 A G H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.4 48.6 -59.9 -41.9 34.3 -0.2 32.5 99 99 A T H X S+ 0 0 26 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.935 113.8 44.8 -63.3 -48.6 35.6 -2.9 30.1 100 100 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.928 114.4 48.9 -63.2 -45.9 38.6 -3.8 32.3 101 101 A R H X S+ 0 0 11 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.874 108.3 54.0 -62.9 -37.9 36.5 -3.7 35.5 102 102 A N H < S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.885 114.1 42.0 -64.8 -37.5 33.8 -5.9 34.0 103 103 A I H < S+ 0 0 53 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 124.2 34.4 -74.6 -49.3 36.4 -8.5 33.1 104 104 A L H < S- 0 0 16 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.910 93.3-167.7 -74.4 -42.4 38.5 -8.4 36.3 105 105 A G < + 0 0 13 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.1 -0.038 31.1 95.1 75.9 172.7 35.7 -7.8 38.7 106 106 A G S S- 0 0 3 191,-0.2 29,-2.3 -4,-0.1 2,-0.4 -0.832 71.9 -43.6 118.5-151.5 36.0 -6.7 42.3 107 107 A T E -EF 134 296B 0 189,-2.2 189,-3.3 -2,-0.3 2,-0.8 -0.996 36.3-141.1-132.6 132.5 36.1 -3.5 44.3 108 108 A V E -EF 133 295B 0 25,-3.3 25,-2.8 -2,-0.4 2,-0.5 -0.844 20.9-155.0 -96.0 109.3 37.8 -0.3 43.6 109 109 A F E -EF 132 294B 15 185,-2.9 185,-2.4 -2,-0.8 2,-0.4 -0.724 12.8-173.5 -87.4 129.2 39.2 1.1 46.8 110 110 A R E +EF 131 293B 7 21,-2.8 21,-2.8 -2,-0.5 183,-0.2 -0.985 10.1 162.4-128.9 130.7 39.7 4.9 46.9 111 111 A E E - F 0 292B 30 181,-1.0 181,-2.6 -2,-0.4 19,-0.1 -0.979 37.9-102.1-142.6 152.8 41.3 7.0 49.6 112 112 A P E - F 0 291B 11 0, 0.0 2,-0.9 0, 0.0 179,-0.3 -0.402 23.8-130.0 -75.2 153.3 42.8 10.5 49.8 113 113 A I - 0 0 11 177,-2.2 2,-0.4 174,-0.2 174,-0.1 -0.909 34.9-143.6-102.2 101.1 46.5 11.1 49.7 114 114 A I - 0 0 74 -2,-0.9 2,-0.5 172,-0.0 172,-0.1 -0.564 23.9-179.7 -78.5 123.9 46.8 13.3 52.8 115 115 A C > - 0 0 6 -2,-0.4 3,-2.1 3,-0.1 250,-0.1 -0.987 25.8-140.3-121.2 118.9 49.3 16.2 52.9 116 116 A K T 3 S+ 0 0 175 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.691 99.4 51.1 -51.8 -25.3 49.3 18.2 56.2 117 117 A N T 3 S+ 0 0 50 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.494 86.8 94.3 -95.2 -3.2 49.7 21.5 54.4 118 118 A I S < S- 0 0 11 -3,-2.1 -3,-0.1 167,-0.1 2,-0.1 -0.799 77.5-126.4 -91.9 123.2 46.8 21.1 52.0 119 119 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.410 17.6-130.7 -68.3 139.1 43.5 22.7 53.3 120 120 A R - 0 0 93 1,-0.1 165,-0.2 -2,-0.1 164,-0.1 -0.602 1.7-145.6 -86.3 151.6 40.4 20.5 53.4 121 121 A L S S+ 0 0 49 163,-2.2 417,-0.4 162,-0.3 164,-0.2 0.651 101.3 50.0 -87.2 -18.0 37.2 21.8 51.9 122 122 A V S > S- 0 0 0 162,-1.6 3,-1.8 414,-0.1 -1,-0.3 -0.847 74.9-169.6-121.0 89.4 35.4 19.9 54.7 123 123 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 413,-0.1 0.767 78.3 68.9 -48.3 -34.6 37.2 20.9 57.9 124 124 A G T 3 S+ 0 0 37 411,-0.4 2,-2.3 135,-0.2 3,-0.2 0.702 71.9 91.3 -63.5 -23.2 35.5 18.2 59.9 125 125 A W < + 0 0 2 -3,-1.8 137,-0.2 1,-0.2 -1,-0.2 -0.448 42.4 156.5 -76.6 75.2 37.2 15.3 58.3 126 126 A T + 0 0 97 -2,-2.3 -1,-0.2 135,-0.1 137,-0.2 0.687 64.7 47.4 -73.7 -17.5 40.1 15.0 60.7 127 127 A K S S- 0 0 84 135,-1.5 137,-0.2 -3,-0.2 138,-0.1 -0.905 95.3-100.0-122.8 152.6 40.6 11.3 59.8 128 128 A P - 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0 0 4 -2,-0.7 21,-2.4 19,-0.2 2,-0.1 -0.949 55.7 -88.6-158.6 174.7 16.6 27.6 68.7 787 373 B T >> - 0 0 0 -2,-0.3 4,-2.1 19,-0.2 3,-0.6 -0.453 49.7 -94.0 -90.1 167.0 16.1 23.9 69.2 788 374 B K H 3> S+ 0 0 92 19,-0.4 4,-2.6 1,-0.2 5,-0.2 0.824 118.9 57.4 -48.3 -45.1 18.8 21.4 70.4 789 375 B D H 3> S+ 0 0 59 -49,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.916 112.0 40.5 -57.3 -46.1 20.0 20.3 67.0 790 376 B L H <> S+ 0 0 0 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.871 112.6 55.4 -71.1 -36.7 20.9 23.9 65.9 791 377 B A H >X>S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.7 0.903 106.5 52.6 -61.5 -39.5 22.3 24.7 69.3 792 378 B G H 3X5S+ 0 0 14 -4,-2.6 4,-1.7 1,-0.2 5,-0.4 0.856 101.1 59.8 -64.0 -36.4 24.6 21.7 68.9 793 379 B C H 3<5S+ 0 0 51 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.769 116.4 34.2 -63.1 -25.7 25.8 22.9 65.5 794 380 B I H <<5S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.905 134.4 19.1 -94.3 -54.5 27.1 26.1 67.2 795 381 B H H <5S- 0 0 92 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.561 118.3 -86.8 -96.7 -11.3 28.3 25.0 70.7 796 382 B G ><< - 0 0 23 -4,-1.7 3,-2.4 -5,-0.5 4,-0.3 0.339 31.7-100.4 106.3 122.0 28.7 21.3 70.1 797 383 B L T 3 S+ 0 0 136 -5,-0.4 3,-0.2 1,-0.3 -5,-0.1 0.641 123.2 48.7 -44.1 -19.8 26.2 18.5 70.5 798 384 B S T 3 S+ 0 0 89 -6,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.035 105.2 55.3-115.6 31.3 27.7 17.7 73.9 799 385 B N S < S+ 0 0 83 -3,-2.4 2,-0.4 2,-0.0 -2,-0.2 0.155 79.2 106.7-145.7 18.0 27.8 21.2 75.4 800 386 B V - 0 0 19 -4,-0.3 2,-0.4 -3,-0.2 -8,-0.1 -0.879 45.6-164.7-109.6 134.7 24.2 22.4 75.2 801 387 B K >>> - 0 0 107 -2,-0.4 4,-3.1 1,-0.0 3,-2.1 -0.932 31.6 -98.0-118.6 140.4 21.8 22.8 78.1 802 388 B L B 345S+b 806 0H 73 -2,-0.4 5,-0.2 1,-0.3 -15,-0.0 -0.196 107.8 5.6 -54.5 139.1 18.0 23.2 78.0 803 389 B N T 345S+ 0 0 110 3,-2.9 -1,-0.3 1,-0.2 4,-0.1 0.481 127.7 69.4 63.9 1.3 16.8 26.8 78.4 804 390 B E T <45S- 0 0 131 -3,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.757 122.6 -0.6-109.4 -53.9 20.5 27.7 78.3 805 391 B H T <5S+ 0 0 46 -4,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.608 135.1 15.5-111.5 -21.9 21.5 27.0 74.7 806 392 B F B < -b 802 0H 17 -5,-1.1 -3,-2.9 -21,-0.1 -2,-0.3 -0.925 63.1-133.9-147.4 171.3 18.2 25.7 73.3 807 393 B L - 0 0 35 -21,-2.4 -19,-0.4 -2,-0.3 2,-0.1 -0.885 30.5-102.7-126.9 157.4 14.5 25.5 73.9 808 394 B N > - 0 0 26 -2,-0.3 4,-2.7 -21,-0.1 -68,-0.3 -0.372 45.3 -99.1 -73.9 161.9 12.0 22.6 73.7 809 395 B T H > S+ 0 0 3 -70,-3.2 4,-2.7 1,-0.2 5,-0.2 0.900 120.9 47.7 -48.1 -55.2 9.7 22.6 70.6 810 396 B S H > S+ 0 0 43 -71,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.899 114.7 46.1 -57.6 -43.5 6.7 24.1 72.3 811 397 B D H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 111.3 52.6 -67.8 -37.3 8.7 26.9 73.9 812 398 B F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.931 110.2 48.4 -62.9 -44.5 10.5 27.6 70.6 813 399 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.854 107.8 54.8 -64.6 -34.6 7.2 27.8 68.8 814 400 B D H X S+ 0 0 69 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.873 107.6 50.7 -66.4 -35.3 5.9 30.2 71.5 815 401 B T H X S+ 0 0 42 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.921 110.5 48.5 -67.1 -44.3 8.9 32.4 70.9 816 402 B I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.934 110.9 51.1 -60.5 -45.3 8.2 32.4 67.1 817 403 B K H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.921 110.9 48.3 -58.1 -45.4 4.6 33.3 67.8 818 404 B S H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.941 114.5 45.1 -60.9 -47.7 5.6 36.2 70.0 819 405 B N H X S+ 0 0 40 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.863 111.6 54.7 -64.4 -36.1 8.1 37.5 67.4 820 406 B L H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 5,-0.3 0.943 107.4 47.5 -63.8 -50.0 5.5 37.0 64.7 821 407 B D H X S+ 0 0 63 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 112.3 50.6 -57.6 -45.7 2.8 39.1 66.4 822 408 B R H X S+ 0 0 143 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.922 113.2 46.3 -57.8 -45.1 5.4 41.8 67.0 823 409 B A H X S+ 0 0 26 -4,-2.4 4,-0.6 1,-0.2 3,-0.4 0.917 111.3 49.3 -65.1 -46.4 6.4 41.7 63.3 824 410 B L H >< S+ 0 0 34 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.824 106.9 58.9 -63.5 -30.3 2.9 41.7 61.9 825 411 B G H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.850 96.6 58.6 -67.5 -35.7 2.1 44.6 64.2 826 412 B R H 3< 0 0 221 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.693 360.0 360.0 -66.5 -17.9 4.8 46.9 62.7 827 413 B Q << 0 0 140 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.938 360.0 360.0 -85.6 360.0 3.0 46.4 59.4