==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUL-13 4LQW . COMPND 2 MOLECULE: E3 SUMO-PROTEIN LIGASE RANBP2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.PRICE,L.C JAMES . 625 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 2 0 0 2 2 2 2 0 2 1 1 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 1 7 4 0 0 2 2 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 . 2 0 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 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 -4 A M > 0 0 125 0, 0.0 3,-0.8 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 126.0 7.5 -0.9 -6.8 2 -3 A E T 3 + 0 0 165 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.446 360.0 68.8 -88.2 -0.8 8.3 -0.1 -10.4 3 -2 A L T 3 S+ 0 0 37 2,-0.0 -1,-0.2 30,-0.0 29,-0.2 0.513 77.9 114.3 -87.5 -8.1 11.7 -2.0 -10.4 4 -1 A S < - 0 0 52 -3,-0.8 2,-0.3 26,-0.0 26,-0.0 -0.279 43.6-176.8 -66.7 147.4 9.7 -5.3 -10.1 5 0 A K > - 0 0 108 4,-0.1 3,-0.7 1,-0.1 -2,-0.0 -0.994 33.6-133.1-145.0 147.4 9.8 -7.9 -12.9 6 1 A E T 3 S+ 0 0 203 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.760 108.4 54.7 -69.6 -25.7 8.1 -11.2 -13.4 7 2 A T T 3 S+ 0 0 130 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.557 83.3 107.6 -86.8 -10.9 11.4 -12.8 -14.5 8 3 A N S < S- 0 0 11 -3,-0.7 22,-0.1 1,-0.1 2,-0.0 -0.416 83.4 -99.0 -63.4 141.8 13.2 -11.8 -11.3 9 4 A P - 0 0 21 0, 0.0 20,-2.3 0, 0.0 2,-0.5 -0.362 34.0-151.6 -62.4 142.2 13.9 -14.6 -8.9 10 5 A V E +A 28 0A 23 159,-0.5 159,-2.7 18,-0.2 2,-0.3 -0.983 19.5 174.2-118.2 127.3 11.5 -15.0 -6.0 11 6 A V E -AB 27 168A 0 16,-2.9 16,-3.4 -2,-0.5 2,-0.3 -0.810 11.4-151.2-127.9 166.8 12.7 -16.6 -2.7 12 7 A F E -AB 26 167A 25 155,-2.1 155,-1.3 -2,-0.3 2,-0.4 -0.966 10.2-153.9-141.0 154.4 11.3 -17.1 0.8 13 8 A F E -AB 25 166A 0 12,-2.6 12,-3.2 -2,-0.3 2,-0.6 -0.999 8.6-155.9-120.8 130.8 12.1 -17.5 4.5 14 9 A D E -AB 24 165A 36 151,-3.3 151,-1.3 -2,-0.4 150,-1.3 -0.952 26.5-160.9 -96.2 124.7 9.9 -19.4 6.9 15 10 A V E -AB 23 163A 2 8,-2.2 7,-2.8 -2,-0.6 8,-0.8 -0.875 15.2-175.6-116.8 140.1 10.7 -17.9 10.3 16 11 A C E -AB 21 162A 20 146,-2.3 146,-2.2 -2,-0.4 2,-0.6 -0.964 17.4-147.2-129.1 148.7 10.2 -19.2 13.9 17 12 A A E > S-AB 20 161A 0 3,-2.9 3,-2.1 -2,-0.3 144,-0.2 -0.946 86.2 -29.8-116.3 107.5 10.8 -17.6 17.3 18 13 A D T 3 S- 0 0 101 142,-2.5 -1,-0.1 -2,-0.6 143,-0.1 0.847 128.3 -46.4 51.1 39.1 11.9 -20.2 19.8 19 14 A G T 3 S+ 0 0 64 141,-0.3 -1,-0.3 1,-0.3 142,-0.0 0.109 113.0 121.1 94.1 -21.5 9.8 -22.8 17.9 20 15 A E E < -A 17 0A 54 -3,-2.1 -3,-2.9 1,-0.1 -1,-0.3 -0.658 67.5-120.9 -77.3 120.7 6.7 -20.5 17.5 21 16 A P E -A 16 0A 98 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.397 29.1-179.3 -64.4 135.9 5.9 -20.0 13.8 22 17 A L E - 0 0 5 -7,-2.8 2,-0.2 1,-0.3 -6,-0.2 0.523 45.2-111.8-107.4 -14.4 5.9 -16.3 12.7 23 18 A G E -A 15 0A 34 -8,-0.8 -8,-2.2 120,-0.1 2,-0.4 -0.588 41.3 -47.8 112.2-174.0 5.0 -17.0 9.0 24 19 A R E -A 14 0A 112 -10,-0.2 2,-0.5 -2,-0.2 119,-0.3 -0.830 33.4-155.2-105.4 135.2 6.6 -16.7 5.6 25 20 A I E -A 13 0A 0 -12,-3.2 -12,-2.6 -2,-0.4 2,-0.5 -0.947 14.1-162.1-102.3 122.7 8.6 -13.8 4.2 26 21 A T E -AC 12 139A 21 113,-2.7 112,-2.3 -2,-0.5 113,-1.7 -0.939 10.6-171.5-110.1 126.5 8.6 -13.8 0.3 27 22 A M E -AC 11 137A 0 -16,-3.4 -16,-2.9 -2,-0.5 2,-0.4 -0.932 18.4-150.6-124.9 137.6 11.2 -11.7 -1.4 28 23 A E E -AC 10 136A 3 108,-2.2 108,-2.0 -2,-0.4 2,-0.5 -0.894 19.8-144.3-101.1 136.4 11.9 -10.6 -5.0 29 24 A L E - C 0 135A 0 -20,-2.3 2,-2.3 -2,-0.4 106,-0.3 -0.883 14.8-126.1-106.7 130.7 15.6 -10.1 -5.9 30 25 A F >> + 0 0 0 104,-2.6 4,-3.2 -2,-0.5 3,-1.4 -0.416 45.4 155.2 -77.2 70.7 16.5 -7.3 -8.4 31 26 A S T 34 S+ 0 0 36 -2,-2.3 -1,-0.2 1,-0.3 5,-0.1 0.789 72.1 64.6 -63.8 -28.1 18.5 -9.4 -10.9 32 27 A N T 34 S+ 0 0 58 -3,-0.3 -1,-0.3 -29,-0.2 -2,-0.1 0.643 118.2 22.8 -67.0 -18.4 17.6 -6.7 -13.4 33 28 A I T <4 S+ 0 0 45 -3,-1.4 -2,-0.2 101,-0.1 -1,-0.1 0.735 140.2 18.3-113.4 -47.4 19.7 -4.2 -11.4 34 29 A V X + 0 0 0 -4,-3.2 4,-2.8 100,-0.1 5,-0.2 -0.639 64.8 166.1-130.9 73.5 22.2 -6.2 -9.3 35 30 A P H > S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.840 76.6 50.2 -60.8 -38.3 22.5 -9.7 -10.8 36 31 A R H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.921 115.7 41.2 -68.1 -44.7 25.7 -10.8 -9.0 37 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 116.4 50.6 -70.3 -39.9 24.4 -9.7 -5.5 38 33 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -8,-0.2 -2,-0.2 0.896 108.3 52.5 -62.2 -43.3 20.9 -11.2 -6.4 39 34 A E H X S+ 0 0 59 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.877 107.1 52.7 -62.4 -40.8 22.5 -14.5 -7.5 40 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.962 112.4 44.2 -56.6 -53.3 24.4 -14.8 -4.2 41 36 A F H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.907 113.5 51.0 -60.5 -44.4 21.2 -14.3 -2.1 42 37 A R H X S+ 0 0 29 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.935 110.8 47.8 -58.5 -49.9 19.2 -16.7 -4.4 43 38 A A H X>S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.8 0.853 109.4 53.6 -61.6 -37.1 21.9 -19.5 -4.1 44 39 A L H <5S+ 0 0 1 -4,-2.1 9,-2.3 -5,-0.2 10,-0.5 0.788 106.9 52.8 -69.2 -28.6 22.0 -19.1 -0.3 45 40 A C H <5S+ 0 0 2 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.901 116.0 38.1 -70.8 -42.9 18.2 -19.5 -0.1 46 41 A T H <5S- 0 0 51 -4,-1.9 -2,-0.2 121,-0.2 -1,-0.2 0.779 95.9-141.5 -77.0 -29.5 18.3 -22.8 -2.1 47 42 A G T ><5 + 0 0 29 -4,-2.2 3,-1.6 -5,-0.2 -3,-0.2 0.709 51.6 144.3 71.9 22.8 21.5 -24.0 -0.5 48 43 A E T 3 < + 0 0 102 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.679 64.0 58.8 -69.9 -18.7 22.6 -25.4 -3.9 49 44 A K T 3 S- 0 0 107 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.435 126.7 -96.1 -87.3 -0.7 26.3 -24.6 -3.3 50 45 A G S < S+ 0 0 71 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.419 102.2 58.1 99.7 1.1 26.3 -26.8 -0.1 51 46 A F + 0 0 60 -8,-0.1 -2,-0.5 30,-0.0 2,-0.3 -0.978 58.5 123.8-154.9 159.5 25.7 -23.9 2.3 52 47 A G - 0 0 16 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.979 66.4 -48.4 173.8-164.4 23.1 -21.2 2.9 53 48 A F S > S+ 0 0 1 -9,-2.3 3,-2.9 -2,-0.3 110,-0.3 0.612 78.6 126.3 -76.8 -16.0 20.5 -19.5 5.1 54 49 A K T 3 S+ 0 0 94 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.219 88.2 0.4 -47.1 123.6 18.8 -22.7 6.3 55 50 A N T 3 S+ 0 0 89 108,-2.8 -1,-0.3 1,-0.2 109,-0.1 0.554 99.4 133.9 66.7 12.3 18.9 -22.6 10.2 56 51 A S < - 0 0 1 -3,-2.9 107,-3.1 107,-0.3 2,-0.3 -0.420 44.7-137.0 -79.1 167.3 20.6 -19.2 10.3 57 52 A I B -D 162 0A 22 105,-0.2 2,-1.1 14,-0.2 13,-0.6 -0.798 18.6-110.4-125.8 163.6 19.2 -16.6 12.7 58 53 A F + 0 0 0 103,-2.3 103,-0.4 -2,-0.3 11,-0.3 -0.814 41.2 173.8 -89.9 93.3 18.4 -12.9 13.0 59 54 A H + 0 0 31 -2,-1.1 2,-0.4 1,-0.2 98,-0.3 0.636 62.6 40.4 -78.7 -17.1 21.2 -12.0 15.4 60 55 A R E +E 68 0A 48 8,-1.6 8,-3.3 96,-0.1 2,-0.4 -0.968 59.7 169.6-142.1 118.6 20.6 -8.2 15.3 61 56 A V E -E 67 0A 0 94,-2.2 91,-2.1 -2,-0.4 94,-0.4 -0.965 6.9-177.7-134.5 116.2 17.2 -6.4 15.3 62 57 A I E >> -E 66 0A 12 4,-2.3 3,-1.7 -2,-0.4 4,-1.6 -0.941 32.3-123.8-113.6 106.7 16.9 -2.6 15.8 63 58 A P T 34 S+ 0 0 31 0, 0.0 86,-0.0 0, 0.0 4,-0.0 -0.141 93.2 15.4 -52.7 142.5 13.2 -1.5 15.8 64 59 A D T 34 S+ 0 0 89 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.587 131.8 51.7 65.9 14.7 12.3 1.2 13.2 65 60 A F T <4 S- 0 0 7 -3,-1.7 56,-2.7 1,-0.2 57,-0.7 0.442 106.6 -19.8-136.4 -75.6 15.6 0.4 11.4 66 61 A V E < -EF 62 120A 0 -4,-1.6 -4,-2.3 54,-0.3 2,-0.5 -0.988 27.3-146.4-147.0 151.9 16.6 -3.1 10.5 67 62 A C E -EF 61 119A 0 52,-2.0 52,-2.3 -2,-0.3 2,-0.4 -0.992 38.1-165.9-108.9 115.0 16.1 -6.9 11.0 68 63 A Q E +EF 60 118A 0 -8,-3.3 -8,-1.6 -2,-0.5 50,-0.2 -0.875 23.7 127.4-112.5 136.6 19.6 -8.3 10.3 69 64 A G E + F 0 117A 0 48,-2.1 48,-2.1 -2,-0.4 -11,-0.2 -0.738 20.0 106.4-153.0-158.2 20.7 -11.9 9.7 70 65 A G + 0 0 0 -13,-0.6 2,-1.8 46,-0.3 11,-0.4 0.543 37.0 139.4 86.6 9.0 22.6 -14.1 7.3 71 66 A D > + 0 0 1 -14,-0.5 4,-1.3 1,-0.2 -14,-0.2 -0.619 22.4 170.3 -81.2 82.7 25.7 -14.7 9.5 72 67 A I T 4 + 0 0 24 -2,-1.8 -1,-0.2 1,-0.2 -20,-0.1 0.472 68.8 41.6 -79.2 -3.3 25.8 -18.4 8.4 73 68 A T T 4 S+ 0 0 58 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.778 131.9 12.7-109.1 -43.5 29.3 -19.1 9.9 74 69 A K T 4 S- 0 0 129 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.573 79.5-145.7-112.5 -15.8 29.4 -17.3 13.3 75 70 A H S < S+ 0 0 79 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.742 82.0 77.8 55.7 29.0 25.7 -16.5 13.9 76 71 A D S S- 0 0 71 -7,-0.0 -1,-0.1 -16,-0.0 -18,-0.0 0.321 113.0 -90.7-145.6 5.6 26.5 -13.2 15.7 77 72 A G S S+ 0 0 0 494,-0.1 495,-2.4 -6,-0.1 39,-0.0 0.293 107.5 92.4 98.6 -8.7 27.5 -10.6 13.1 78 73 A T S S+ 0 0 31 493,-0.2 492,-0.1 -7,-0.1 2,-0.1 0.531 87.6 38.1 -91.3 -9.3 31.3 -11.4 13.1 79 74 A G + 0 0 11 493,-0.0 37,-0.2 2,-0.0 36,-0.1 -0.208 53.5 145.7-122.5-153.6 31.1 -14.0 10.2 80 75 A G - 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0 0 27 -3,-1.3 3,-1.5 1,-0.1 4,-0.3 -0.666 66.2-123.1 -90.1 149.3 61.5 9.6 36.4 518 34 D P T > S+ 0 0 91 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.800 106.9 70.5 -57.6 -28.7 58.4 8.0 37.8 519 35 D E T 3> S+ 0 0 101 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.412 76.9 79.0 -76.3 2.6 56.8 11.5 38.0 520 36 D V H <> S+ 0 0 12 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.846 90.4 56.3 -69.6 -35.8 56.4 11.7 34.2 521 37 D I H <> S+ 0 0 24 -3,-1.3 4,-2.1 -4,-0.3 -2,-0.2 0.930 107.4 43.4 -65.6 -51.2 53.3 9.5 34.5 522 38 D P H > S+ 0 0 76 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.871 114.4 52.1 -63.1 -34.8 51.3 11.7 36.9 523 39 D M H X S+ 0 0 72 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.879 108.1 51.7 -65.7 -38.6 52.3 14.7 34.9 524 40 D F H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.906 113.5 44.2 -61.1 -43.1 51.0 12.9 31.8 525 41 D S H >< S+ 0 0 50 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.894 112.0 52.5 -67.8 -42.1 47.7 12.2 33.6 526 42 D A H 3< S+ 0 0 74 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.841 113.4 44.0 -61.9 -34.7 47.5 15.8 34.9 527 43 D L T 3< S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.455 106.5 61.7 -91.5 -2.1 48.0 17.3 31.4 528 44 D S X + 0 0 0 -3,-0.9 3,-1.7 -4,-0.4 2,-0.4 -0.042 61.1 150.4-119.6 31.4 45.6 14.9 29.6 529 45 D E T 3 S- 0 0 153 -3,-0.5 -182,-0.1 1,-0.3 -3,-0.0 -0.513 84.2 -6.4 -68.0 120.4 42.2 15.6 31.2 530 46 D G T 3 S+ 0 0 2 -2,-0.4 -41,-2.9 1,-0.2 -1,-0.3 0.654 97.0 165.8 69.5 18.0 39.5 14.9 28.6 531 47 D A < - 0 0 5 -3,-1.7 -1,-0.2 -43,-0.2 84,-0.1 -0.372 30.1-138.0 -71.2 139.7 42.2 14.4 25.9 532 48 D T > - 0 0 0 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.468 31.5-104.1 -81.9 164.7 41.3 12.8 22.5 533 49 D P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.876 125.8 56.7 -54.9 -37.3 43.6 10.2 20.9 534 50 D Q H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 106.5 48.6 -57.1 -47.6 44.7 13.1 18.6 535 51 D D H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 110.7 49.9 -59.6 -45.2 45.7 15.2 21.6 536 52 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.907 112.0 47.9 -63.4 -43.0 47.7 12.4 23.2 537 53 D N H X S+ 0 0 31 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.917 109.9 52.6 -61.3 -44.1 49.5 11.8 19.9 538 54 D T H X S+ 0 0 47 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.913 110.3 48.9 -58.9 -43.6 50.2 15.5 19.5 539 55 D M H >X S+ 0 0 1 -4,-2.5 4,-0.6 2,-0.2 3,-0.5 0.959 115.4 42.6 -58.1 -54.3 51.7 15.5 23.0 540 56 D L H >< S+ 0 0 14 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.879 114.5 50.5 -62.7 -41.2 53.9 12.5 22.4 541 57 D N H 3< S+ 0 0 125 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.685 96.4 69.9 -72.0 -20.6 55.0 13.6 18.9 542 58 D T H << S+ 0 0 64 -4,-1.3 2,-0.4 -3,-0.5 -1,-0.2 0.778 78.1 94.3 -70.3 -26.1 56.0 17.1 20.1 543 59 D V << - 0 0 11 -3,-0.7 2,-0.3 -4,-0.6 -35,-0.0 -0.541 69.2-146.7 -71.6 121.8 59.0 15.7 22.0 544 60 D G + 0 0 59 -2,-0.4 -2,-0.1 -36,-0.0 2,-0.0 -0.668 64.4 4.6 -83.3 145.5 62.2 15.8 19.9 545 61 D G S S+ 0 0 41 -2,-0.3 5,-0.1 1,-0.1 -2,-0.0 -0.292 79.5 99.1 75.6-165.2 64.7 13.0 20.5 546 62 D H > + 0 0 70 1,-0.1 4,-2.3 3,-0.1 3,-0.2 0.791 44.8 151.0 53.7 33.0 64.1 9.9 22.8 547 63 D Q H > + 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.784 66.6 54.8 -69.5 -28.2 63.2 8.0 19.6 548 64 D A H > S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.871 110.5 46.9 -68.4 -38.6 64.3 4.7 21.1 549 65 D A H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 111.7 50.8 -66.8 -40.7 61.9 5.3 24.0 550 66 D M H X S+ 0 0 46 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.846 106.8 54.8 -65.2 -35.1 59.2 6.3 21.6 551 67 D Q H X S+ 0 0 88 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.897 109.0 47.3 -65.0 -41.9 59.8 3.0 19.7 552 68 D M H X S+ 0 0 49 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.909 113.2 48.8 -61.7 -44.9 59.3 1.1 22.9 553 69 D L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 110.2 51.4 -60.9 -44.6 56.1 3.1 23.7 554 70 D K H X S+ 0 0 114 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.886 108.6 51.6 -59.0 -42.0 54.9 2.4 20.1 555 71 D E H X S+ 0 0 94 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.882 110.1 48.5 -64.2 -40.1 55.5 -1.3 20.6 556 72 D T H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 110.8 51.1 -64.5 -43.2 53.5 -1.3 23.8 557 73 D I H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 108.7 51.7 -61.0 -40.8 50.7 0.6 22.1 558 74 D N H X S+ 0 0 91 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.839 109.2 50.7 -65.3 -35.0 50.6 -2.0 19.3 559 75 D E H X S+ 0 0 101 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.923 113.1 44.2 -68.1 -45.9 50.4 -4.8 21.8 560 76 D E H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.845 112.6 52.6 -68.4 -34.8 47.4 -3.2 23.6 561 77 D A H X S+ 0 0 11 -4,-2.3 4,-1.9 2,-0.2 24,-0.3 0.910 111.3 46.5 -64.8 -43.6 45.7 -2.3 20.3 562 78 D A H X S+ 0 0 57 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.837 110.9 53.1 -65.4 -35.4 46.1 -6.0 19.2 563 79 D E H X S+ 0 0 73 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.888 106.7 52.4 -67.1 -40.0 44.7 -7.1 22.6 564 80 D W H X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.934 110.3 47.8 -57.7 -48.1 41.7 -4.8 22.2 565 81 D D H < S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 107.9 55.5 -63.3 -36.3 41.0 -6.4 18.8 566 82 D R H < S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 116.9 36.1 -62.8 -37.7 41.4 -9.9 20.2 567 83 D L H < S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.603 120.4 48.8 -91.6 -15.4 38.7 -9.1 22.8 568 84 D H S < S- 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 17,-0.1 -0.677 73.5-169.0-129.4 77.4 36.5 -6.9 20.6 569 85 D P - 0 0 68 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.347 32.0-101.0 -66.3 149.0 35.8 -8.6 17.2 570 86 D V - 0 0 39 -492,-0.1 2,-0.4 -5,-0.1 -462,-0.0 -0.454 30.7-151.8 -73.4 139.2 34.1 -6.5 14.5 571 87 D H - 0 0 76 -2,-0.2 11,-0.2 -493,-0.0 -493,-0.2 -0.906 25.3-107.1-109.1 141.0 30.4 -6.8 13.9 572 88 D A - 0 0 7 -495,-2.4 -464,-0.2 -2,-0.4 -493,-0.0 -0.344 48.0-145.1 -67.1 144.2 28.9 -6.1 10.5 573 89 D G + 0 0 15 -466,-2.9 2,-0.2 2,-0.1 -1,-0.1 0.112 58.9 164.3 -71.6-163.4 26.9 -3.0 9.9 574 90 D P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -447,-0.1 0.388 54.1-131.7 -74.3 158.8 24.8 -1.1 8.9 575 91 D I - 0 0 70 -2,-0.2 3,-0.1 -449,-0.1 6,-0.1 -0.677 21.3-128.3 -81.7 130.8 25.2 1.7 11.5 576 92 D A > - 0 0 7 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 -0.330 40.1 -74.8 -75.5 160.1 21.9 2.8 13.0 577 93 D P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.309 118.6 10.3 -56.7 134.5 20.9 6.5 13.2 578 94 D G T 3 S+ 0 0 70 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.662 108.3 112.0 71.4 18.9 22.7 8.4 15.9 579 95 D Q < - 0 0 59 -3,-1.6 2,-0.3 25,-0.1 -1,-0.3 -0.753 58.3-129.4-121.0 167.6 25.2 5.5 16.5 580 96 D M - 0 0 62 -2,-0.2 -4,-0.1 -3,-0.1 2,-0.1 -0.852 22.6-110.8-115.7 149.3 28.9 4.9 15.9 581 97 D R - 0 0 63 -2,-0.3 -1,-0.0 1,-0.1 -6,-0.0 -0.356 51.8 -87.4 -65.5 158.5 30.8 2.1 14.3 582 98 D E - 0 0 82 -11,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.533 44.8-122.4 -71.8 131.6 32.8 -0.1 16.7 583 99 D P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.566 21.5-148.9 -76.9 137.1 36.3 1.3 17.3 584 100 D R >> - 0 0 86 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.478 34.8 -96.5 -90.7 171.5 39.3 -1.0 16.5 585 101 D G H 3> S+ 0 0 0 -24,-0.3 4,-1.9 1,-0.3 6,-0.1 0.884 127.7 52.0 -54.8 -41.7 42.7 -0.9 18.4 586 102 D S H 34>S+ 0 0 38 1,-0.2 5,-2.4 2,-0.2 6,-1.5 0.713 107.1 53.9 -68.7 -23.9 44.1 1.4 15.7 587 103 D D H X45S+ 0 0 1 -3,-0.8 3,-1.0 5,-0.2 -2,-0.2 0.873 107.8 49.0 -74.8 -41.5 41.1 3.7 16.1 588 104 D I H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 26,-0.2 0.883 108.9 54.0 -63.4 -39.1 41.7 4.0 19.8 589 105 D A T 3<5S- 0 0 5 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.462 115.9-116.5 -75.8 -2.4 45.3 4.8 19.2 590 106 D G T < 5S+ 0 0 20 -3,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.716 85.5 111.6 75.3 22.2 44.4 7.7 16.8 591 107 D T S - 0 0 77 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.455 26.7-111.1 -82.6 163.6 39.1 10.7 12.3 595 111 D L H > S+ 0 0 52 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 120.5 54.6 -57.5 -45.2 38.9 13.5 14.9 596 112 D Q H > S+ 0 0 163 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 108.0 48.8 -59.3 -38.9 35.1 13.5 14.4 597 113 D E H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.8 50.2 -65.7 -45.2 34.9 9.8 15.1 598 114 D Q H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 12,-0.2 0.930 113.9 44.9 -57.2 -48.4 37.1 10.2 18.2 599 115 D I H X S+ 0 0 42 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 111.1 55.8 -61.0 -41.3 34.8 13.1 19.4 600 116 D G H X S+ 0 0 16 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.898 110.4 42.6 -59.4 -46.2 31.8 10.9 18.4 601 117 D W H >< S+ 0 0 2 -4,-2.5 7,-2.4 1,-0.2 3,-0.6 0.905 115.1 49.6 -66.8 -44.2 32.8 8.0 20.6 602 118 D M H 3< S+ 0 0 7 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.802 118.6 37.4 -67.0 -31.3 33.8 10.2 23.6 603 119 D T H 3< S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.335 91.1 114.6-105.9 4.5 30.6 12.2 23.6 604 120 D H S << S- 0 0 45 -3,-0.6 -25,-0.1 -4,-0.5 -3,-0.0 -0.294 75.3 -98.9 -71.9 159.4 28.1 9.5 22.7 605 121 D N S S+ 0 0 136 1,-0.4 -2,-0.0 2,-0.1 -3,-0.0 -0.920 123.2 21.6-120.9 103.0 25.4 8.3 25.2 606 122 D P S S- 0 0 41 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.560 109.3-146.7 -78.1 154.1 26.6 5.8 26.3 607 123 D P - 0 0 14 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.413 17.3-144.6 -86.9 159.8 30.2 6.7 25.5 608 124 D I - 0 0 58 -7,-2.4 2,-2.5 -2,-0.1 3,-0.2 -0.953 23.6-145.3-113.6 104.6 33.3 4.7 24.5 609 125 D P > + 0 0 15 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.383 32.0 165.0 -76.4 73.6 36.1 6.7 26.2 610 126 D V H > S+ 0 0 0 -2,-2.5 4,-2.1 1,-0.2 5,-0.2 0.796 73.0 56.9 -61.5 -31.1 38.7 6.1 23.5 611 127 D G H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 110.2 43.2 -62.8 -46.8 40.9 8.9 25.0 612 128 D E H > S+ 0 0 43 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.864 112.7 52.4 -68.1 -38.6 41.0 7.2 28.4 613 129 D I H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.933 111.9 45.5 -63.7 -46.2 41.6 3.7 27.0 614 130 D Y H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.847 107.6 59.4 -64.9 -35.6 44.5 5.0 24.9 615 131 D K H X S+ 0 0 17 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.903 103.0 51.9 -58.7 -44.3 45.8 6.8 28.0 616 132 D R H X S+ 0 0 146 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.884 109.1 50.2 -59.8 -40.5 46.0 3.5 29.9 617 133 D W H X S+ 0 0 5 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.907 112.1 47.2 -64.8 -42.6 48.0 2.0 27.0 618 134 D I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 110.7 50.9 -65.2 -45.3 50.5 4.9 27.0 619 135 D I H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.851 108.1 53.8 -62.5 -35.1 50.9 4.9 30.8 620 136 D L H X S+ 0 0 73 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.920 110.9 46.3 -62.2 -44.5 51.6 1.1 30.6 621 137 D G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.887 111.0 51.4 -64.2 -42.3 54.4 2.0 28.0 622 138 D L H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.884 108.0 53.4 -62.3 -39.8 55.7 4.8 30.1 623 139 D N H X S+ 0 0 81 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.904 106.8 51.8 -60.5 -44.3 55.9 2.4 33.1 624 140 D K H X S+ 0 0 79 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 110.4 48.4 -56.3 -47.6 58.0 -0.1 31.1 625 141 D I H < S+ 0 0 10 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.917 115.7 42.9 -62.4 -45.9 60.5 2.6 30.1 626 142 D V H >< S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.876 108.6 61.3 -65.7 -38.7 60.8 3.9 33.7 627 143 D R H 3< S+ 0 0 217 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 97.2 56.6 -58.0 -41.2 61.0 0.3 35.0 628 144 D M T 3< 0 0 105 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.506 360.0 360.0 -75.3 -3.7 64.1 -0.7 33.1 629 145 D Y < 0 0 192 -3,-1.5 -3,-0.1 -4,-0.2 -113,-0.0 -0.319 360.0 360.0-126.8 360.0 66.1 2.3 34.6