==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 14-JUL-07 2QM4 . COMPND 2 MOLECULE: NON-HOMOLOGOUS END-JOINING FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.LI,D.Y.CHIRGADZE,B.L.SIBANDA,V.M.BOLANOS-GARCIA,O.R.DAVIES . 911 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 70.7 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 . 169 18.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 41 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 4 0 3 4 0 0 2 11 1 1 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 4 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 4 0 4 0 2 10 1 1 2 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 2 0 1 1 2 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 -1 A S > 0 0 85 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 163.0 12.3 62.3 7.5 2 0 A G H > + 0 0 15 1,-0.2 4,-1.2 2,-0.2 32,-0.1 0.823 360.0 52.9 -53.3 -39.7 11.7 58.6 6.6 3 1 A X H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.842 105.8 53.4 -66.4 -37.8 14.7 57.4 8.6 4 2 A E H > S+ 0 0 129 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.895 107.4 51.9 -62.3 -42.3 13.5 59.3 11.7 5 3 A E H X S+ 0 0 127 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.797 106.2 54.1 -67.5 -30.2 10.2 57.5 11.5 6 4 A L H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.923 111.2 44.9 -66.8 -41.8 11.9 54.1 11.2 7 5 A E H X S+ 0 0 34 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.867 113.4 51.3 -72.2 -36.0 13.9 54.7 14.4 8 6 A Q H X S+ 0 0 98 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.967 112.6 44.6 -59.7 -56.6 10.7 56.0 16.1 9 7 A G H >< S+ 0 0 9 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.861 109.8 57.5 -55.6 -39.5 8.7 53.0 15.2 10 8 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.887 96.8 61.6 -62.9 -38.7 11.6 50.7 16.2 11 9 A L H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.847 107.2 45.8 -57.5 -32.2 11.6 52.1 19.8 12 10 A X T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.442 88.1 104.4 -98.8 2.7 8.1 50.8 20.3 13 11 A Q S < S- 0 0 43 -3,-1.3 2,-0.1 -4,-0.4 17,-0.1 -0.511 71.5-124.4 -71.0 145.2 8.5 47.4 18.8 14 12 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.429 30.6 -97.7 -80.6 169.5 8.8 44.6 21.4 15 13 A W - 0 0 4 -2,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.743 36.8-161.1 -87.0 137.1 11.8 42.2 21.4 16 14 A A E -A 27 0A 7 11,-3.3 11,-2.6 -2,-0.4 2,-0.4 -0.779 17.5-122.9-109.7 158.7 11.5 38.8 19.8 17 15 A W E -A 26 0A 24 69,-0.4 2,-0.5 -2,-0.3 9,-0.2 -0.813 26.0-159.0 -96.6 142.3 13.6 35.7 20.2 18 16 A L E -A 25 0A 10 7,-2.4 7,-1.9 -2,-0.4 2,-0.4 -0.958 8.5-146.6-132.5 112.2 15.3 34.4 17.1 19 17 A Q E -A 24 0A 110 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.646 26.2-177.5 -73.8 126.7 16.6 30.8 16.7 20 18 A L - 0 0 12 3,-2.1 78,-0.2 -2,-0.4 76,-0.0 -0.672 42.0 -90.2-118.1 176.4 19.7 30.7 14.5 21 19 A A S S+ 0 0 86 76,-1.4 77,-0.1 -2,-0.2 -1,-0.1 0.940 118.3 4.5 -50.8 -56.3 21.9 27.9 13.1 22 20 A E S S- 0 0 104 77,-0.1 -1,-0.1 -3,-0.0 2,-0.1 0.906 134.5 -0.0 -97.2 -59.0 24.3 27.9 16.1 23 21 A N S S- 0 0 105 76,-0.1 -3,-2.1 -4,-0.0 2,-0.3 -0.004 72.3-109.5-110.0-148.3 23.1 30.4 18.7 24 22 A S E -A 19 0A 10 -5,-0.2 2,-0.3 18,-0.1 -5,-0.2 -0.955 20.0-156.2-145.8 162.8 20.1 32.7 19.2 25 23 A L E -A 18 0A 8 -7,-1.9 -7,-2.4 -2,-0.3 2,-0.4 -0.976 20.7-123.4-136.8 153.4 19.5 36.5 19.2 26 24 A L E -AB 17 41A 5 15,-2.8 15,-2.4 -2,-0.3 2,-0.3 -0.807 41.8-176.8 -85.4 138.8 17.1 39.0 20.6 27 25 A A E +AB 16 40A 10 -11,-2.6 -11,-3.3 -2,-0.4 2,-0.3 -1.000 23.8 179.5-145.9 139.0 15.7 41.0 17.7 28 26 A K E + B 0 39A 4 11,-2.4 11,-2.9 -2,-0.3 2,-0.3 -0.986 15.9 175.6-136.2 140.3 13.3 44.0 17.1 29 27 A V E - B 0 38A 8 -2,-0.3 2,-0.4 -15,-0.2 9,-0.2 -0.981 19.1-159.9-143.7 149.7 12.7 45.4 13.6 30 28 A F E - B 0 37A 53 7,-2.1 7,-1.6 -2,-0.3 2,-0.4 -0.971 17.4-171.2-135.1 121.8 10.4 48.0 12.1 31 29 A I E + B 0 36A 20 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.940 13.4 155.2-122.5 129.3 9.7 47.9 8.4 32 30 A T E > - B 0 35A 50 3,-2.7 3,-0.8 -2,-0.4 47,-0.1 -0.735 61.0 -86.7-130.1-172.8 8.0 50.3 6.0 33 31 A K T 3 S+ 0 0 147 -2,-0.2 42,-0.1 1,-0.2 39,-0.1 0.632 125.5 57.5 -67.6 -14.9 8.0 51.1 2.3 34 32 A Q T 3 S- 0 0 83 1,-0.3 19,-0.4 -32,-0.1 2,-0.3 0.561 120.9 -81.0 -93.3 -14.6 11.0 53.5 3.1 35 33 A G E < -B 32 0A 0 -3,-0.8 -3,-2.7 17,-0.2 2,-0.3 -0.981 48.3 -81.9 150.0-160.0 13.3 50.9 4.6 36 34 A Y E -BC 31 51A 0 15,-1.2 15,-2.1 -2,-0.3 2,-0.4 -0.951 14.1-150.2-138.4 162.4 13.9 49.2 7.9 37 35 A A E -BC 30 50A 0 -7,-1.6 -7,-2.1 -2,-0.3 2,-0.4 -0.995 22.2-171.9-129.3 130.8 15.5 49.7 11.3 38 36 A L E -BC 29 49A 2 11,-2.8 11,-1.9 -2,-0.4 2,-0.4 -0.969 12.3-170.9-125.1 137.0 16.8 46.6 13.1 39 37 A L E +BC 28 48A 0 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.3 -0.994 12.5 178.7-126.2 130.6 18.2 46.1 16.6 40 38 A V E +BC 27 47A 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.3 -0.932 1.9 177.7-127.6 145.5 19.8 42.8 17.6 41 39 A S E -BC 26 46A 3 -15,-2.4 -15,-2.8 -2,-0.3 5,-0.2 -0.998 29.7-164.7-146.2 147.0 21.5 41.7 20.8 42 40 A D - 0 0 43 3,-1.7 4,-0.1 -2,-0.3 -18,-0.1 0.085 63.5-102.0-107.5 19.8 23.1 38.6 22.3 43 41 A L S S+ 0 0 15 2,-0.5 329,-0.1 1,-0.1 3,-0.1 0.464 119.5 60.7 69.8 5.3 22.8 40.0 25.9 44 42 A Q S S+ 0 0 130 1,-0.5 323,-0.3 327,-0.1 2,-0.3 0.611 114.6 14.6-116.1 -47.8 26.5 40.9 25.7 45 43 A Q - 0 0 67 322,-0.1 -3,-1.7 319,-0.0 -1,-0.5 -0.866 65.9-142.5-128.1 159.6 26.6 43.3 22.8 46 44 A V E -C 41 0A 9 -2,-0.3 82,-1.9 -5,-0.2 2,-0.3 -0.983 15.3-167.0-123.8 135.0 24.0 45.2 20.8 47 45 A W E -CD 40 127A 4 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.3 -0.907 2.4-162.5-120.5 156.9 24.1 45.7 17.0 48 46 A H E -CD 39 126A 36 78,-3.1 78,-2.4 -2,-0.3 2,-0.3 -0.982 8.9-176.1-138.5 141.0 22.0 48.1 14.7 49 47 A E E -C 38 0A 12 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.4 -0.984 0.4-178.0-135.8 138.7 21.2 48.5 11.0 50 48 A Q E +C 37 0A 85 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.999 11.9 177.0-127.7 128.9 19.2 51.2 9.2 51 49 A V E -C 36 0A 4 -15,-2.1 -15,-1.2 -2,-0.4 2,-0.1 -0.983 16.0-153.4-132.5 147.0 18.5 51.1 5.4 52 50 A D > - 0 0 65 -2,-0.3 4,-1.6 -17,-0.2 -17,-0.2 -0.307 44.3 -88.8 -99.3-170.9 16.6 53.1 2.9 53 51 A T H > S+ 0 0 50 -19,-0.4 4,-2.4 1,-0.2 5,-0.1 0.828 123.3 58.4 -76.2 -33.9 15.1 51.9 -0.5 54 52 A S H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 108.2 47.5 -52.3 -44.4 18.3 52.6 -2.5 55 53 A V H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.889 110.0 52.8 -70.4 -38.5 20.2 50.2 -0.2 56 54 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.923 112.5 44.7 -59.2 -45.6 17.3 47.6 -0.5 57 55 A S H X S+ 0 0 48 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.926 115.2 48.0 -62.7 -50.5 17.6 47.8 -4.4 58 56 A Q H X S+ 0 0 81 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.939 117.4 39.6 -53.8 -57.8 21.4 47.6 -4.4 59 57 A R H X S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.802 110.7 56.7 -72.9 -32.2 21.6 44.7 -2.0 60 58 A A H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.869 108.8 49.4 -64.5 -35.8 18.7 42.7 -3.4 61 59 A K H < S+ 0 0 89 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.821 111.3 50.0 -66.1 -38.1 20.5 42.8 -6.8 62 60 A E H < S+ 0 0 86 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 120.5 33.5 -65.4 -41.4 23.8 41.6 -5.2 63 61 A L H < S+ 0 0 47 -4,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.588 116.5 55.0 -94.6 -16.1 22.2 38.7 -3.4 64 62 A N < + 0 0 7 -4,-1.3 -1,-0.2 -5,-0.2 3,-0.1 -0.895 40.5 156.1-133.6 101.2 19.5 37.7 -5.9 65 63 A K S S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.706 73.9 66.0 -85.3 -25.6 20.1 36.9 -9.6 66 64 A R S S+ 0 0 173 52,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.567 110.6 9.6 -84.8 -9.1 17.0 34.7 -10.1 67 65 A L - 0 0 27 -3,-0.1 2,-0.3 -6,-0.0 -3,-0.1 -0.978 56.2-157.3-157.6 166.6 14.3 37.4 -9.6 68 66 A T + 0 0 97 -2,-0.3 -3,-0.0 -3,-0.0 -7,-0.0 -0.958 17.6 159.8-144.5 159.9 13.8 41.2 -9.3 69 67 A A - 0 0 35 -2,-0.3 -9,-0.1 -12,-0.1 5,-0.0 -0.963 48.1 -69.8-169.5 162.8 11.0 43.3 -7.8 70 68 A P >> - 0 0 86 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.343 47.8-113.2 -63.6 151.2 10.4 46.8 -6.5 71 69 A P H 3> S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.910 116.9 55.2 -46.6 -51.6 12.2 47.7 -3.1 72 70 A A H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.790 104.7 54.1 -51.8 -35.9 8.8 48.0 -1.3 73 71 A A H <> S+ 0 0 44 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.899 109.8 46.5 -70.6 -39.9 7.9 44.5 -2.4 74 72 A F H X S+ 0 0 5 -4,-1.6 4,-2.2 -3,-0.3 -2,-0.2 0.894 112.3 50.6 -62.5 -43.2 11.2 43.2 -0.9 75 73 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 109.0 52.8 -62.2 -39.2 10.5 45.2 2.3 76 74 A C H X S+ 0 0 71 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.900 108.4 49.3 -59.6 -45.8 7.0 43.7 2.4 77 75 A H H X S+ 0 0 20 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.920 108.4 52.9 -61.6 -49.4 8.4 40.1 2.2 78 76 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.874 109.4 49.8 -51.1 -44.7 11.0 40.7 5.0 79 77 A D H X S+ 0 0 48 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 109.3 51.3 -60.5 -48.9 8.1 42.0 7.2 80 78 A N H < S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.777 114.6 45.7 -55.2 -33.2 6.1 38.8 6.3 81 79 A L H X S+ 0 0 24 -4,-1.8 4,-0.7 2,-0.1 -2,-0.2 0.914 119.5 36.1 -75.3 -52.3 9.2 36.7 7.3 82 80 A L H X S+ 0 0 21 -4,-2.7 4,-1.1 -5,-0.1 -2,-0.2 0.813 108.7 65.9 -76.5 -30.3 10.1 38.4 10.6 83 81 A R H >X S+ 0 0 66 -4,-2.8 4,-1.1 -5,-0.2 3,-0.6 0.945 102.8 38.0 -61.9 -62.7 6.5 39.2 11.8 84 82 A P H 3> S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.855 116.5 52.8 -59.9 -38.0 4.9 35.7 12.5 85 83 A L H 3< S+ 0 0 25 -4,-0.7 -68,-0.2 1,-0.2 -2,-0.2 0.699 102.5 60.7 -71.2 -24.9 8.2 34.2 13.9 86 84 A L H << S+ 0 0 37 -4,-1.1 -69,-0.4 -3,-0.6 -1,-0.2 0.910 101.8 51.8 -59.4 -47.8 8.5 37.2 16.3 87 85 A K H < S- 0 0 171 -4,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.829 133.4 -22.7 -68.5 -41.0 5.1 36.3 18.0 88 86 A D < - 0 0 56 -4,-1.2 3,-0.4 -71,-0.1 -1,-0.3 -0.918 47.7-133.9-161.9 154.6 6.2 32.7 18.6 89 87 A A S S+ 0 0 50 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.068 90.9 89.8 -96.7 23.0 8.7 30.2 17.1 90 88 A A + 0 0 87 2,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.048 65.8 110.0 -97.1 21.1 6.0 27.5 17.0 91 89 A H S S- 0 0 98 -3,-0.4 2,-1.0 -6,-0.1 -3,-0.0 -0.886 82.2-114.4-103.5 127.2 5.2 28.8 13.5 92 90 A P + 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -7,-0.0 -0.421 47.9 169.6 -61.2 95.5 6.0 26.6 10.5 93 91 A S - 0 0 49 -2,-1.0 3,-0.1 -4,-0.1 -8,-0.0 0.973 25.5-168.6 -82.6 -61.1 8.7 28.9 9.0 94 92 A E + 0 0 184 1,-0.3 2,-0.4 18,-0.1 -1,-0.1 0.409 59.6 108.5 71.6 0.3 10.6 27.3 6.1 95 93 A A - 0 0 11 17,-0.1 2,-0.3 -14,-0.1 -1,-0.3 -0.871 58.5-148.6-102.0 141.5 13.0 30.3 6.4 96 94 A T E -E 111 0A 91 15,-2.8 15,-2.2 -2,-0.4 2,-0.4 -0.853 8.4-163.3-117.0 149.6 16.6 29.9 7.8 97 95 A F E +E 110 0A 15 -2,-0.3 -76,-1.4 13,-0.2 2,-0.3 -0.985 14.3 159.8-130.4 137.1 18.8 32.3 9.7 98 96 A S E -E 109 0A 45 11,-1.9 11,-3.4 -2,-0.4 2,-0.3 -0.946 14.7-160.4-143.9 165.5 22.5 32.4 10.5 99 97 A C E -E 108 0A 51 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 6.7-171.7-146.0 154.3 25.1 35.0 11.6 100 98 A D E -E 107 0A 66 7,-1.4 7,-2.8 -2,-0.3 2,-0.3 -0.993 16.8-133.3-144.3 152.3 28.8 35.8 11.7 101 99 A C E +E 106 0A 82 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.834 16.4 179.3-113.7 142.5 31.0 38.5 13.3 102 100 A V E > -E 105 0A 67 3,-1.7 3,-1.0 -2,-0.3 2,-0.4 -0.832 68.3 -61.9-142.4 91.7 33.9 40.7 11.9 103 101 A A T 3 S- 0 0 42 -2,-0.3 619,-0.1 1,-0.2 620,-0.0 -0.534 124.8 -6.2 61.1-114.9 35.3 43.1 14.5 104 102 A D T 3 S+ 0 0 65 -2,-0.4 23,-2.1 -3,-0.1 2,-0.3 0.171 120.2 94.1 -96.5 17.2 32.3 45.5 15.4 105 103 A A E < -EF 102 126A 18 -3,-1.0 -3,-1.7 21,-0.2 2,-0.4 -0.845 50.9-168.3-110.6 143.3 30.0 44.0 12.7 106 104 A L E -EF 101 125A 2 19,-2.8 19,-2.9 -2,-0.3 2,-0.7 -0.996 8.9-156.8-126.5 128.0 27.4 41.3 12.8 107 105 A I E -EF 100 124A 27 -7,-2.8 -7,-1.4 -2,-0.4 2,-0.7 -0.910 3.4-163.6-106.7 114.3 25.9 39.8 9.6 108 106 A L E -EF 99 123A 2 15,-2.1 15,-2.9 -2,-0.7 2,-0.4 -0.854 13.4-160.3 -93.9 116.3 22.5 38.2 9.9 109 107 A R E -EF 98 122A 84 -11,-3.4 -11,-1.9 -2,-0.7 2,-0.4 -0.820 6.5-167.0-106.4 133.1 21.8 36.1 6.9 110 108 A V E -EF 97 121A 8 11,-2.8 11,-1.8 -2,-0.4 2,-0.4 -0.965 8.9-173.0-120.2 135.0 18.3 34.9 5.8 111 109 A R E +EF 96 120A 82 -15,-2.2 -15,-2.8 -2,-0.4 2,-0.2 -0.998 29.6 132.7-119.2 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4,-2.0 2,-0.2 -1,-0.2 0.864 111.9 50.9 -66.1 -38.0 4.0 48.0 46.9 154 152 A E H X S+ 0 0 56 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.883 110.5 47.6 -65.5 -41.0 0.4 48.1 45.7 155 153 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.843 109.3 54.2 -70.6 -33.0 -0.1 44.3 46.2 156 154 A A H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.923 108.5 50.4 -62.8 -44.1 1.5 44.6 49.7 157 155 A T H X S+ 0 0 84 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.911 109.6 49.4 -58.6 -44.9 -1.1 47.3 50.4 158 156 A L H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.889 109.0 54.4 -61.8 -39.4 -3.9 45.1 49.2 159 157 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 27,-0.2 0.886 103.9 52.8 -62.4 -45.5 -2.6 42.3 51.4 160 158 A H H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.838 109.4 50.9 -57.4 -36.8 -2.6 44.4 54.6 161 159 A X H X S+ 0 0 98 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.856 108.2 51.4 -69.9 -38.5 -6.3 45.2 53.9 162 160 A K H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.897 112.0 47.4 -59.4 -44.8 -7.1 41.5 53.4 163 161 A D H X S+ 0 0 24 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.849 108.5 54.4 -66.0 -38.4 -5.5 40.8 56.8 164 162 A L H X S+ 0 0 77 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.883 109.9 47.0 -60.6 -42.0 -7.4 43.7 58.4 165 163 A E H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.870 112.1 50.4 -67.4 -39.5 -10.6 42.1 57.2 166 164 A I H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.881 109.9 50.3 -62.2 -41.8 -9.5 38.7 58.5 167 165 A Q H X S+ 0 0 95 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.917 105.2 58.9 -61.8 -42.9 -8.7 40.3 61.9 168 166 A D H X S+ 0 0 49 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.871 108.0 44.2 -55.1 -44.3 -12.2 41.9 61.8 169 167 A Y H ><>S+ 0 0 7 -4,-1.6 5,-1.9 2,-0.2 3,-0.8 0.931 113.7 50.6 -62.4 -49.0 -13.8 38.4 61.6 170 168 A Q H ><5S+ 0 0 94 -4,-2.1 3,-1.3 1,-0.2 5,-0.2 0.895 109.5 50.3 -56.6 -43.7 -11.5 37.0 64.3 171 169 A E H 3<5S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 105.8 57.1 -73.9 -16.5 -12.2 39.9 66.8 172 170 A S T <<5S- 0 0 62 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.231 124.3 -97.0-100.8 11.3 -15.9 39.5 66.4 173 171 A G T < 5S+ 0 0 42 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.402 80.0 135.4 96.2 0.0 -15.9 35.8 67.5 174 172 A A S - 0 0 78 -2,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.968 16.4-156.3-118.7 114.9 4.9 40.8 56.6 188 186 A E H > S+ 0 0 59 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.864 89.5 55.7 -61.0 -38.4 6.9 42.4 53.8 189 187 A N H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 113.3 41.0 -60.1 -43.0 10.4 42.1 55.4 190 188 A S H > S+ 0 0 49 -3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.859 112.4 55.4 -76.6 -34.3 10.0 38.3 55.8 191 189 A F H X S+ 0 0 24 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.947 113.5 42.7 -55.2 -48.6 8.4 38.0 52.4 192 190 A L H X S+ 0 0 72 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.944 113.5 49.1 -64.3 -52.0 11.5 39.7 50.9 193 191 A E H X S+ 0 0 95 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.903 114.2 45.8 -60.6 -39.4 14.1 37.9 52.9 194 192 A Q H X S+ 0 0 70 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.877 110.3 55.5 -69.2 -38.1 12.6 34.4 52.1 195 193 A F H X>S+ 0 0 3 -4,-1.9 4,-2.5 -5,-0.3 5,-2.3 0.928 107.8 47.6 -56.2 -50.4 12.3 35.4 48.4 196 194 A X H <5S+ 0 0 54 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.879 118.0 42.3 -61.4 -42.1 16.0 36.3 48.1 197 195 A I H <5S+ 0 0 108 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.953 131.3 20.0 -66.1 -53.5 17.0 33.0 49.8 198 196 A E H <5S+ 0 0 130 -4,-3.0 4,-0.2 -5,-0.2 -3,-0.2 0.832 134.6 23.5 -93.8 -38.3 14.6 30.6 48.1 199 197 A K T X5S+ 0 0 76 -4,-2.5 4,-2.4 -5,-0.5 3,-0.4 0.750 97.8 80.0-108.1 -27.9 13.3 32.2 44.9 200 198 A L H >4 S+ 0 0 173 -3,-0.4 3,-1.1 -4,-0.2 -2,-0.2 0.869 116.3 58.0 -81.5 -38.1 16.0 31.1 39.5 203 201 A A H 3< S+ 0 0 15 -4,-2.4 -3,-0.2 1,-0.2 -1,-0.2 0.821 107.7 46.3 -61.7 -37.1 13.7 34.1 39.2 204 202 A C T 3< S+ 0 0 7 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 0.417 80.5 133.0 -85.8 1.3 16.4 36.5 38.0 205 203 A S < - 0 0 68 -3,-1.1 4,-0.1 -5,-0.2 -3,-0.1 -0.414 34.1-174.5 -69.0 108.3 17.8 34.0 35.4 206 204 A I > + 0 0 11 -2,-0.5 3,-1.7 1,-0.1 6,-0.3 0.903 21.9 162.4 -60.1 -51.4 18.3 35.7 32.1 207 205 A G T 3 S- 0 0 50 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.331 73.0 -19.1 58.0-136.7 19.3 32.5 30.2 208 206 A D T 3 S- 0 0 85 1,-0.1 -1,-0.2 -183,-0.0 -2,-0.1 0.368 98.7-101.1 -83.1 4.7 19.0 32.8 26.4 209 207 A G S <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.1 3,-0.5 0.233 93.7 118.3 97.0 -11.6 16.7 35.9 26.8 210 208 A K H > + 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 69.1 58.4 -57.7 -41.4 13.5 33.9 26.1 211 209 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.903 107.4 48.9 -50.4 -45.3 12.1 34.6 29.6 212 210 A F H > S+ 0 0 1 -3,-0.5 4,-2.4 -6,-0.3 5,-0.3 0.947 113.7 45.2 -58.8 -53.8 12.3 38.4 28.9 213 211 A V H < S+ 0 0 15 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.826 119.8 41.0 -58.8 -35.9 10.6 38.0 25.4 214 212 A X H < S+ 0 0 92 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.722 126.8 28.7 -91.1 -22.2 7.9 35.7 26.8 215 213 A N H < S+ 0 0 87 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.725 122.0 34.4-106.3 -29.2 7.2 37.5 30.1 216 214 A L S X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.3 -3,-0.1 0.300 76.8 99.8-125.4 11.2 7.9 41.2 29.9 217 215 A Q H > S+ 0 0 16 -4,-0.3 4,-2.7 -5,-0.3 5,-0.2 0.773 81.2 56.8 -77.8 -28.3 7.1 42.6 26.4 218 216 A D H > S+ 0 0 132 2,-0.2 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188 B S H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.853 111.1 53.3 -68.4 -36.5 -8.1 43.6 36.2 421 189 B F H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.959 112.4 45.0 -56.0 -52.4 -5.4 44.7 38.7 422 190 B L H X S+ 0 0 70 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.927 113.3 49.6 -59.4 -47.8 -2.8 44.8 35.8 423 191 B E H X S+ 0 0 125 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.948 112.6 46.9 -59.2 -48.3 -5.1 46.6 33.5 424 192 B Q H X S+ 0 0 106 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.919 113.2 49.6 -58.8 -44.1 -6.0 49.2 36.0 425 193 B F H X>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 4,-2.0 0.876 109.5 50.3 -63.2 -42.4 -2.3 49.7 36.9 426 194 B X H <5S+ 0 0 56 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.898 118.4 38.9 -63.9 -41.2 -1.2 50.1 33.3 427 195 B I H <5S+ 0 0 134 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.953 132.2 22.6 -72.3 -52.8 -3.9 52.7 32.6 428 196 B E H <5S+ 0 0 113 -4,-3.1 -3,-0.2 -5,-0.2 4,-0.2 0.812 133.0 24.1 -89.8 -32.8 -3.8 54.7 35.9 429 197 B K T >X5S+ 0 0 82 -4,-2.0 4,-2.5 -5,-0.4 3,-0.7 0.802 96.2 79.1-108.9 -38.5 -0.3 54.1 37.5 430 198 B L H 3> + 0 0 8 -2,-0.3 3,-2.4 1,-0.2 6,-0.3 0.627 14.3 179.0 -89.8 -16.8 13.2 57.4 36.1 437 205 B G T 3 S- 0 0 48 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 -0.255 71.9 -18.1 50.7-127.8 13.8 61.2 36.6 438 206 B D T 3 S- 0 0 74 -180,-0.0 -1,-0.3 -162,-0.0 -2,-0.0 0.215 100.7 -97.3 -91.0 11.8 17.4 61.8 37.6 439 207 B G S <> S+ 0 0 0 -3,-2.4 4,-1.5 -189,-0.1 -2,-0.2 0.364 93.9 121.7 88.2 -3.0 17.9 58.2 38.5 440 208 B K H > + 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 68.3 52.6 -62.4 -46.3 17.3 58.9 42.2 441 209 B P H > S+ 0 0 45 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.909 106.8 54.3 -55.6 -40.0 14.3 56.6 42.7 442 210 B F H > S+ 0 0 0 -6,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.882 112.3 44.2 -58.8 -41.5 16.3 53.7 41.3 443 211 B V H < S+ 0 0 13 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.878 117.8 43.9 -68.0 -41.6 19.0 54.3 43.8 444 212 B X H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.833 127.7 25.1 -79.2 -30.5 16.6 54.8 46.8 445 213 B N H < S+ 0 0 100 -4,-2.9 4,-0.2 -5,-0.2 -3,-0.2 0.776 122.8 38.2-100.7 -32.7 14.3 51.9 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