==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE 08-AUG-94 1ENK . COMPND 2 MOLECULE: ENDONUCLEASE V; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.G.VASSYLYEV,M.ARIYOSHI,O.MATSUMOTO,K.KATAYANAGI,E.OHTSUKA, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 62.0 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 . 2 1.5 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 . 1 0.7 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 . 6 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 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 . 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 0 0 ANTIPARALLEL 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 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 94 0, 0.0 2,-0.4 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 124.6 -3.5 31.8 12.7 2 3 A R - 0 0 48 16,-0.1 2,-0.5 53,-0.1 20,-0.1 -0.990 360.0-163.6-142.9 132.1 -3.3 35.4 13.9 3 4 A I - 0 0 2 -2,-0.4 2,-0.3 48,-0.1 63,-0.0 -0.953 15.1-160.0-115.0 125.3 -5.0 38.6 12.8 4 5 A N - 0 0 1 -2,-0.5 106,-0.1 2,-0.1 4,-0.1 -0.708 14.6-155.9-101.3 153.5 -3.4 41.8 14.1 5 6 A L + 0 0 9 -2,-0.3 2,-0.1 105,-0.2 109,-0.1 0.184 58.4 110.7-119.3 16.9 -5.2 45.2 14.3 6 7 A T S S- 0 0 6 107,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.439 84.1 -86.0 -83.5 158.7 -2.1 47.4 14.1 7 8 A L > - 0 0 99 1,-0.1 3,-1.4 -2,-0.1 4,-0.1 -0.563 36.9-137.8 -68.2 130.7 -1.1 49.6 11.1 8 9 A V G > S+ 0 0 6 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.601 98.7 67.9 -67.3 -16.1 0.8 47.4 8.8 9 10 A S G 3 S+ 0 0 38 1,-0.2 -1,-0.3 7,-0.0 -2,-0.0 0.587 103.0 50.0 -78.6 -7.3 3.5 50.0 8.0 10 11 A E G < S+ 0 0 128 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.375 85.4 112.6-106.2 -3.9 4.5 49.5 11.6 11 12 A L S < S- 0 0 4 -3,-0.8 2,-0.1 -4,-0.1 -3,-0.0 -0.443 73.2-113.1 -71.8 145.9 4.8 45.7 11.6 12 13 A A > - 0 0 1 -2,-0.1 4,-2.0 118,-0.1 3,-0.4 -0.423 37.9-104.9 -72.2 157.2 8.2 44.0 12.0 13 14 A D H > S+ 0 0 10 116,-3.3 4,-1.5 1,-0.2 117,-0.1 0.712 120.6 50.1 -55.7 -31.3 9.2 42.2 8.8 14 15 A Q H > S+ 0 0 71 115,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.793 111.2 47.2 -79.4 -35.0 8.4 38.7 10.3 15 16 A H H > S+ 0 0 8 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.838 111.1 52.3 -74.0 -36.3 4.9 39.7 11.5 16 17 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.946 114.0 44.5 -57.8 -54.6 4.2 41.3 8.2 17 18 A M H X S+ 0 0 49 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.786 114.3 46.9 -60.9 -39.5 5.2 38.0 6.5 18 19 A A H >X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 3,-0.6 0.952 113.3 47.2 -72.6 -49.9 3.3 35.7 8.9 19 20 A E H 3X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.874 106.8 59.5 -60.1 -35.8 0.1 37.6 8.8 20 21 A Y H 3< S+ 0 0 17 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.868 112.4 39.9 -61.3 -34.2 0.3 37.8 5.0 21 22 A R H << S+ 0 0 147 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.781 115.8 50.2 -80.6 -34.9 0.3 33.9 5.0 22 23 A D H >X S+ 0 0 28 -4,-2.2 3,-1.1 -20,-0.1 4,-0.9 0.795 95.3 67.7 -74.5 -36.8 -2.3 33.4 7.7 23 24 A L H >X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.3 3,-1.1 0.914 96.5 53.5 -55.9 -53.2 -5.1 35.7 6.4 24 25 A P H 3> S+ 0 0 39 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.586 99.3 67.6 -59.5 -12.7 -5.9 33.6 3.3 25 26 A R H <> S+ 0 0 153 -3,-1.1 4,-2.0 2,-0.2 3,-0.5 0.921 97.2 50.9 -71.0 -49.3 -6.3 30.7 5.8 26 27 A V H <>S+ 0 0 49 -4,-2.2 5,-2.5 2,-0.2 3,-2.4 0.959 107.5 51.9 -66.6 -57.2 -17.8 25.5 6.5 34 35 A V H ><5S+ 0 0 35 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.968 112.7 47.0 -48.0 -57.4 -20.0 26.9 3.8 35 36 A A T 3<5S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.561 104.4 62.0 -64.1 -4.5 -19.6 23.6 1.9 36 37 A N T < 5S- 0 0 119 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.108 127.4 -98.2-106.6 23.6 -20.3 21.6 5.2 37 38 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.595 77.8 149.0 72.0 18.5 -23.8 23.1 5.3 38 39 A K < - 0 0 69 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.481 24.3-176.4 -83.9 155.1 -22.6 25.8 7.8 39 40 A R > - 0 0 89 -2,-0.2 3,-1.7 59,-0.0 4,-0.3 -0.913 42.9 -98.3-143.1 158.9 -23.9 29.4 8.2 40 41 A V G > S+ 0 0 24 -2,-0.3 3,-1.9 1,-0.3 5,-0.2 0.844 118.4 62.5 -53.5 -38.2 -23.0 32.4 10.4 41 42 A R G 3 S+ 0 0 207 1,-0.3 -1,-0.3 3,-0.1 4,-0.0 0.755 94.1 64.6 -62.5 -20.6 -25.8 31.7 13.0 42 43 A D G < S+ 0 0 71 -3,-1.7 2,-0.4 2,-0.1 -1,-0.3 0.581 93.0 78.9 -77.8 -8.9 -24.1 28.3 13.7 43 44 A F S < S- 0 0 33 -3,-1.9 2,-1.9 -4,-0.3 0, 0.0 -0.812 79.5-128.8-109.2 144.0 -21.0 30.1 15.1 44 45 A K - 0 0 204 -2,-0.4 2,-0.6 2,-0.0 13,-0.1 -0.589 35.1-171.8 -84.2 79.8 -20.3 31.7 18.5 45 46 A I - 0 0 41 -2,-1.9 13,-0.1 -5,-0.2 -2,-0.0 -0.702 20.7-127.6 -79.5 119.1 -19.1 35.0 17.1 46 47 A S - 0 0 29 -2,-0.6 4,-0.1 8,-0.3 -1,-0.1 -0.270 1.8-137.3 -65.5 146.2 -17.7 37.0 20.0 47 48 A P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.768 85.5 44.7 -73.2 -27.8 -18.9 40.6 20.5 48 49 A T S S- 0 0 88 1,-0.0 2,-0.3 61,-0.0 -2,-0.1 -0.753 101.3 -81.8-116.5 160.7 -15.4 42.0 21.3 49 50 A F - 0 0 8 -2,-0.3 2,-0.3 2,-0.0 6,-0.1 -0.549 52.0-171.6 -67.9 127.4 -11.9 41.5 19.8 50 51 A I - 0 0 58 -2,-0.3 8,-0.1 5,-0.2 -4,-0.0 -0.937 22.4-168.9-125.1 138.2 -10.5 38.3 21.2 51 52 A L S S+ 0 0 25 -2,-0.3 -48,-0.1 -49,-0.1 -1,-0.1 0.656 71.1 32.4-106.9 -20.9 -6.9 36.9 20.9 52 53 A G S > S+ 0 0 52 3,-0.1 3,-2.2 2,-0.1 4,-0.3 0.521 112.5 11.5-102.7-112.4 -7.1 33.3 22.2 53 54 A A T 3 S+ 0 0 116 1,-0.3 3,-0.4 2,-0.1 2,-0.2 0.857 135.6 22.1 -38.3 -76.4 -9.8 30.6 22.1 54 55 A G T 3> S+ 0 0 32 1,-0.2 4,-1.1 2,-0.1 -8,-0.3 0.020 87.6 123.1 -91.6 41.4 -12.4 32.0 19.7 55 56 A H T <4 S+ 0 0 6 -3,-2.2 4,-0.5 -2,-0.2 3,-0.4 0.917 74.5 41.2 -62.0 -51.0 -9.9 34.4 17.8 56 57 A V T >4 S+ 0 0 36 -3,-0.4 3,-1.4 -4,-0.3 -1,-0.2 0.869 111.6 57.8 -68.0 -36.3 -10.3 33.3 14.2 57 58 A T G >4 S+ 0 0 33 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.760 91.6 69.8 -57.3 -34.0 -14.1 32.9 14.6 58 59 A F G 3< S+ 0 0 2 -4,-1.1 3,-0.5 -3,-0.4 -1,-0.3 0.772 99.6 49.2 -56.7 -33.4 -14.5 36.5 15.6 59 60 A F G X S+ 0 0 0 -3,-1.4 3,-1.3 -4,-0.5 -1,-0.3 0.319 80.4 98.8 -92.4 8.9 -13.6 37.4 12.0 60 61 A Y T < S+ 0 0 22 -3,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.706 92.2 37.6 -67.1 -22.0 -16.1 35.0 10.3 61 62 A D T 3 S+ 0 0 52 -3,-0.5 -1,-0.3 -4,-0.3 40,-0.3 0.160 113.0 60.9-111.0 13.1 -18.6 37.8 9.8 62 63 A K X> + 0 0 18 -3,-1.3 4,-1.4 38,-0.2 3,-1.0 -0.009 52.9 132.6-129.2 31.3 -15.9 40.4 8.9 63 64 A L H 3> S+ 0 0 0 36,-2.0 4,-1.0 -3,-0.3 37,-0.2 0.567 72.0 63.9 -58.1 -14.4 -14.2 38.9 5.8 64 65 A E H 3> S+ 0 0 50 37,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.817 99.7 49.0 -77.5 -40.7 -14.5 42.4 4.2 65 66 A F H <> S+ 0 0 19 36,-1.4 4,-1.6 -3,-1.0 -2,-0.2 0.923 111.5 52.1 -67.8 -36.0 -12.3 44.0 6.7 66 67 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.798 106.7 52.3 -70.4 -29.2 -9.9 41.1 6.0 67 68 A R H X S+ 0 0 66 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.910 110.8 46.9 -70.6 -45.7 -10.0 41.7 2.2 68 69 A K H X S+ 0 0 71 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.765 114.6 47.8 -63.7 -33.6 -9.1 45.4 2.7 69 70 A R H X S+ 0 0 12 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.855 105.2 57.0 -79.0 -36.1 -6.3 44.4 5.1 70 71 A Q H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.867 107.1 52.7 -59.5 -36.1 -4.8 41.7 2.8 71 72 A I H X S+ 0 0 72 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.856 109.2 47.4 -64.6 -44.2 -4.6 44.6 0.3 72 73 A E H X S+ 0 0 85 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.941 110.6 51.3 -74.1 -41.8 -2.6 46.7 2.8 73 74 A L H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.866 109.1 51.1 -65.0 -33.7 -0.3 43.8 3.7 74 75 A I H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.932 110.6 47.8 -68.0 -43.0 0.6 43.1 -0.0 75 76 A A H X S+ 0 0 57 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.877 111.8 51.0 -60.5 -40.1 1.4 46.8 -0.8 76 77 A E H X S+ 0 0 10 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.817 106.2 54.7 -67.6 -34.6 3.6 46.9 2.4 77 78 A C H <>S+ 0 0 0 -4,-1.6 5,-1.9 2,-0.2 3,-0.4 0.924 112.9 42.4 -65.0 -46.5 5.5 43.7 1.3 78 79 A L H ><5S+ 0 0 91 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.893 107.6 60.4 -63.9 -47.7 6.4 45.3 -2.1 79 80 A K H 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.683 106.9 47.2 -52.2 -33.5 7.2 48.7 -0.5 80 81 A R T 3<5S- 0 0 24 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.433 122.4-102.7 -91.6 -7.3 9.9 47.0 1.6 81 82 A G T < 5 + 0 0 59 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.890 65.8 156.7 83.0 42.9 11.4 45.1 -1.4 82 83 A F < - 0 0 54 -5,-1.9 2,-1.3 -6,-0.1 -1,-0.2 -0.824 40.7-136.1-102.0 134.5 9.9 41.6 -0.5 83 84 A N + 0 0 167 -2,-0.4 2,-0.2 2,-0.0 -5,-0.1 -0.682 39.1 162.5-102.5 89.3 9.5 39.0 -3.3 84 85 A I - 0 0 15 -2,-1.3 2,-0.4 -10,-0.1 3,-0.1 -0.603 28.9-150.2 -98.0 160.0 6.1 37.7 -2.7 85 86 A K S S+ 0 0 186 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.984 78.0 62.9-135.4 117.1 4.1 35.7 -5.2 86 87 A D + 0 0 108 -2,-0.4 -1,-0.1 3,-0.0 4,-0.1 0.567 54.2 168.0 114.0 55.7 0.2 36.1 -4.9 87 88 A T + 0 0 91 -3,-0.1 2,-0.4 2,-0.1 -9,-0.0 0.408 50.9 99.9 -66.7 -16.2 0.3 39.7 -5.6 88 89 A T S S- 0 0 91 -14,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.745 75.3-129.5 -95.3 127.6 -3.4 39.2 -5.9 89 90 A V - 0 0 65 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.528 40.2-109.2 -74.5 138.3 -6.2 39.8 -3.5 90 91 A Q - 0 0 64 -2,-0.2 2,-0.8 -23,-0.1 -1,-0.1 -0.489 26.3-123.1 -74.6 145.5 -8.4 36.7 -3.1 91 92 A D + 0 0 106 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.842 37.6 165.4-101.7 115.1 -11.9 36.9 -4.7 92 93 A I > + 0 0 5 -2,-0.8 3,-1.8 1,-0.1 -1,-0.1 0.202 44.3 106.8-107.8 9.0 -14.5 36.2 -2.1 93 94 A S T 3 S+ 0 0 78 1,-0.3 -1,-0.1 4,-0.0 4,-0.1 0.526 76.3 73.2 -69.3 3.3 -17.7 37.4 -3.8 94 95 A D T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.780 83.2 79.0 -79.7 -34.7 -18.1 33.6 -3.9 95 96 A I S < S- 0 0 5 -3,-1.8 5,-0.2 1,-0.1 -64,-0.1 -0.647 100.4 -90.3 -79.9 126.4 -18.8 33.5 -0.1 96 97 A P >> - 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.042 34.1-121.5 -38.4 141.3 -22.3 34.4 1.2 97 98 A Q G >4 S+ 0 0 162 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.836 106.5 71.6 -58.2 -39.5 -22.7 38.2 2.0 98 99 A E G 34 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.741 100.8 47.7 -51.4 -26.6 -23.7 37.5 5.6 99 100 A F G <4 S+ 0 0 0 -3,-1.5 -36,-2.0 1,-0.2 2,-1.3 0.712 95.2 77.8 -87.3 -22.2 -20.0 36.6 6.2 100 101 A R << + 0 0 80 -3,-1.6 -1,-0.2 -4,-0.5 -38,-0.2 -0.495 65.8 141.5 -93.2 68.2 -18.5 39.6 4.4 101 102 A G - 0 0 23 -2,-1.3 -37,-2.0 -40,-0.3 -36,-1.4 -0.435 43.7-120.1 -98.2 172.2 -18.9 42.3 7.0 102 103 A D - 0 0 91 -38,-0.2 2,-0.3 -2,-0.1 -39,-0.1 -0.614 18.5-160.7-111.8 170.5 -16.7 45.2 8.0 103 104 A Y - 0 0 39 -2,-0.2 -41,-0.0 -41,-0.1 -44,-0.0 -0.975 11.7-164.1-154.4 139.6 -15.1 46.1 11.3 104 105 A I - 0 0 148 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.970 28.5-136.8-130.8 108.1 -13.7 49.3 12.8 105 106 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.409 13.1-121.5 -69.8 136.9 -11.6 48.4 15.8 106 107 A H >> - 0 0 135 -2,-0.2 4,-1.8 1,-0.1 3,-1.3 -0.461 30.0-112.9 -71.9 152.5 -11.8 50.5 19.0 107 108 A E H 3> S+ 0 0 166 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.857 119.2 56.2 -52.5 -39.4 -8.5 52.0 19.9 108 109 A A H 3> S+ 0 0 60 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.655 104.0 50.1 -66.2 -29.0 -8.5 49.8 23.0 109 110 A S H <> S+ 0 0 16 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.763 107.9 54.9 -82.8 -30.1 -8.9 46.5 20.9 110 111 A I H X S+ 0 0 54 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.805 103.7 56.2 -70.3 -28.9 -6.0 47.7 18.8 111 112 A A H X S+ 0 0 53 -4,-1.0 4,-2.6 -5,-0.2 -1,-0.2 0.901 102.6 54.5 -69.4 -36.4 -4.1 47.9 22.0 112 113 A I H X S+ 0 0 72 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.952 112.9 42.3 -53.9 -55.8 -4.9 44.3 22.8 113 114 A S H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.796 112.0 55.2 -61.4 -37.0 -3.4 43.3 19.5 114 115 A Q H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.915 105.6 51.7 -69.1 -44.6 -0.4 45.7 19.8 115 116 A A H X S+ 0 0 46 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.745 106.0 53.8 -62.9 -31.2 0.6 44.2 23.2 116 117 A R H X S+ 0 0 75 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.908 111.7 45.8 -65.9 -46.3 0.6 40.5 21.8 117 118 A L H X S+ 0 0 5 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.822 112.4 51.6 -63.5 -38.6 3.0 41.6 19.0 118 119 A D H X S+ 0 0 92 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.822 108.5 51.4 -73.1 -31.4 5.1 43.5 21.6 119 120 A E H < S+ 0 0 108 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.825 107.8 51.6 -74.6 -34.8 5.3 40.4 23.8 120 121 A K H >X S+ 0 0 62 -4,-1.6 3,-1.9 2,-0.2 4,-0.7 0.954 109.8 48.4 -68.7 -50.2 6.5 38.3 21.0 121 122 A I H 3< S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.3 6,-0.2 0.830 106.8 56.8 -58.4 -36.5 9.3 40.7 20.0 122 123 A A T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.687 92.0 75.0 -70.9 -13.3 10.4 40.9 23.6 123 124 A Q T <4 S- 0 0 129 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.996 130.0 -22.6 -58.0 -73.2 10.8 37.0 23.6 124 125 A R >< - 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