==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSPORT PROTEIN 24-OCT-05 2BEC . COMPND 2 MOLECULE: CALCINEURIN B HOMOLOGOUS PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.BEN AMMAR,S.TAKEDA,T.HISAMITSU,H.MORI,S.WAKABAYASHI . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 65.5 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 . 3 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 . 0 0.0 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 3 2 0 1 0 1 0 1 0 1 1 0 0 0 0 0 1 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 . 0 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 ANTIPARALLEL 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 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 11 A I 0 0 208 0, 0.0 2,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 65.3 3.0 0.0 40.8 2 12 A P - 0 0 47 0, 0.0 20,-0.0 0, 0.0 0, 0.0 -0.308 360.0 -77.5 -97.8-172.5 6.7 0.3 39.6 3 13 A D S >> S+ 0 0 119 1,-0.2 2,-4.0 -2,-0.1 4,-0.9 0.274 81.9 137.7 -70.0 16.0 9.7 -2.0 40.2 4 14 A G T 34 + 0 0 4 1,-0.2 -1,-0.2 3,-0.2 14,-0.1 -0.158 43.9 83.0 -62.6 54.2 9.8 -0.3 43.7 5 15 A D T 34 S+ 0 0 104 -2,-4.0 4,-0.4 3,-0.1 -1,-0.2 0.665 100.5 25.4-117.5 -62.2 10.5 -3.6 45.5 6 16 A S T <> S+ 0 0 69 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.630 124.1 59.7 -77.8 -14.0 14.2 -4.1 45.2 7 17 A I H X S+ 0 0 16 -4,-0.9 4,-2.0 2,-0.2 5,-0.3 0.940 101.6 47.7 -76.3 -52.6 14.4 -0.3 44.9 8 18 A R H > S+ 0 0 64 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.686 113.6 56.9 -60.9 -14.2 12.7 0.3 48.2 9 19 A R H 4 S+ 0 0 178 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.892 108.0 39.7 -84.0 -45.8 15.3 -2.2 49.3 10 20 A E H < S+ 0 0 76 -4,-1.7 85,-0.5 -3,-0.2 -2,-0.2 0.692 126.3 36.0 -79.9 -19.2 18.5 -0.5 48.0 11 21 A T H < S- 0 0 5 -4,-2.0 -1,-0.2 2,-0.1 -3,-0.2 0.565 93.4-134.2-109.6 -11.6 17.4 2.9 49.1 12 22 A G < + 0 0 37 -4,-0.6 2,-0.2 -5,-0.3 -4,-0.1 0.688 48.8 159.3 66.3 16.5 15.5 2.2 52.3 13 23 A F - 0 0 4 -6,-0.3 -1,-0.2 1,-0.1 2,-0.1 -0.489 42.0-117.7 -74.4 141.1 12.8 4.5 51.1 14 24 A S >> - 0 0 68 -2,-0.2 4,-1.7 -3,-0.1 3,-1.3 -0.452 30.1-105.2 -75.9 151.7 9.3 4.1 52.6 15 25 A Q H >> S+ 0 0 100 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.908 121.3 43.6 -38.6 -71.2 6.5 3.1 50.3 16 26 A A H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.724 109.1 64.0 -51.7 -22.9 4.8 6.6 50.2 17 27 A S H <> S+ 0 0 15 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.972 102.9 42.5 -67.7 -54.9 8.3 8.0 49.7 18 28 A L H - 0 0 24 -2,-0.3 4,-2.3 30,-0.2 5,-0.3 -0.847 41.7-101.6-126.4 163.6 18.2 13.5 30.4 38 48 A R H > S+ 0 0 65 28,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.933 128.3 60.2 -48.2 -39.8 20.3 16.4 31.5 39 49 A M H > S+ 0 0 119 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.936 104.4 44.7 -48.6 -59.5 17.7 18.1 29.4 40 50 A D H >4 S+ 0 0 8 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.889 117.1 44.0 -55.6 -47.2 14.8 17.0 31.6 41 51 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.771 103.5 63.6 -72.7 -27.9 16.6 17.8 34.9 42 52 A Q H 3< S+ 0 0 84 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.608 86.0 76.8 -72.4 -9.1 17.9 21.2 33.7 43 53 A Q T << + 0 0 111 -3,-0.8 2,-1.2 -4,-0.5 -1,-0.3 0.728 65.8 102.6 -71.4 -21.9 14.2 22.2 33.5 44 54 A I <> - 0 0 19 -3,-1.4 4,-1.6 -4,-0.2 3,-0.4 -0.499 63.2-162.0 -64.8 98.0 14.2 22.6 37.2 45 55 A G H >> S+ 0 0 52 -2,-1.2 4,-1.2 1,-0.2 3,-0.6 0.922 83.7 52.0 -48.8 -56.3 14.4 26.3 37.3 46 56 A A H 3> S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.851 107.2 54.5 -50.9 -40.8 15.6 26.6 40.9 47 57 A L H >4 S+ 0 0 1 -3,-0.4 3,-1.1 1,-0.2 6,-0.4 0.883 98.7 62.2 -63.1 -40.9 18.4 24.2 40.3 48 58 A A H << S+ 0 0 75 -4,-1.6 -1,-0.2 -3,-0.6 6,-0.2 0.905 105.8 44.8 -52.2 -47.5 19.8 26.2 37.4 49 59 A V H 3< S+ 0 0 121 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.620 91.0 106.3 -73.5 -12.6 20.5 29.2 39.6 50 60 A N S X< S- 0 0 13 -3,-1.1 3,-2.2 -4,-0.6 4,-0.4 -0.557 75.0-137.5 -70.6 119.4 22.0 26.7 42.2 51 61 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.687 106.0 38.0 -51.8 -17.8 25.8 27.1 42.0 52 62 A L T 3> S+ 0 0 0 145,-0.2 4,-3.2 -5,-0.1 3,-0.5 0.395 83.3 109.8-113.5 -0.4 26.1 23.3 42.2 53 63 A G H <> S+ 0 0 3 -3,-2.2 4,-3.5 -6,-0.4 -5,-0.1 0.848 79.7 47.6 -41.8 -50.3 23.1 22.5 40.0 54 64 A D H > S+ 0 0 104 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.889 113.9 46.3 -63.5 -40.6 25.2 21.2 37.1 55 65 A R H > S+ 0 0 32 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.885 114.9 47.9 -69.0 -37.8 27.4 19.1 39.4 56 66 A I H < S+ 0 0 0 -4,-3.2 4,-0.4 2,-0.2 3,-0.3 0.950 112.4 50.3 -65.5 -46.9 24.2 17.8 41.1 57 67 A I H >< S+ 0 0 3 -4,-3.5 3,-2.6 -5,-0.3 -2,-0.2 0.974 110.4 47.8 -51.6 -62.2 22.7 17.2 37.7 58 68 A E H >< S+ 0 0 71 -4,-3.0 3,-2.3 1,-0.3 -1,-0.2 0.749 96.2 72.9 -52.9 -28.1 25.7 15.3 36.4 59 69 A S T 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.685 87.5 65.5 -63.8 -14.6 25.8 13.2 39.5 60 70 A F T < S+ 0 0 8 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.392 94.3 69.8 -86.3 4.0 22.7 11.5 38.1 61 71 A F S < S- 0 0 13 -3,-2.3 -1,-0.1 -4,-0.1 7,-0.1 -0.942 75.8-145.0-129.3 112.5 24.8 10.1 35.3 62 72 A P - 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.223 63.6 -36.6 -56.9-171.5 27.4 7.3 35.9 63 73 A D S S- 0 0 154 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.665 131.5 -22.8 -15.2 -65.5 30.6 7.1 33.9 64 74 A G S S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.457 94.1 134.6-138.5 -2.3 29.2 8.3 30.6 65 75 A S - 0 0 43 1,-0.1 3,-0.1 2,-0.0 -4,-0.0 0.095 36.2-162.2 -47.9 161.9 25.4 7.7 30.6 66 76 A Q + 0 0 140 1,-0.1 -28,-0.3 -29,-0.0 2,-0.3 0.141 69.3 58.4-134.2 15.8 23.0 10.3 29.3 67 77 A R - 0 0 136 -30,-0.1 2,-0.6 -7,-0.1 -30,-0.2 -0.996 66.4-142.2-148.4 144.5 19.8 9.0 30.9 68 78 A V - 0 0 1 -32,-1.7 -32,-0.4 -2,-0.3 -7,-0.1 -0.915 11.5-147.8-115.5 113.1 18.6 8.1 34.4 69 79 A D >> - 0 0 75 -2,-0.6 4,-2.1 -34,-0.2 3,-0.8 -0.342 36.6-105.3 -65.9 156.6 16.4 5.1 35.0 70 80 A F H 3> S+ 0 0 22 -36,-0.3 4,-2.0 1,-0.2 5,-0.2 0.906 122.7 54.8 -53.8 -42.2 14.0 5.7 37.9 71 81 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.829 108.4 48.6 -61.6 -30.3 16.1 3.5 40.2 72 82 A G H <> S+ 0 0 6 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.876 106.5 56.5 -74.1 -38.1 19.2 5.6 39.4 73 83 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.892 115.6 37.9 -57.7 -41.7 17.2 8.7 40.1 74 84 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.793 103.2 69.3 -81.9 -31.0 16.5 7.4 43.6 75 85 A R H < S+ 0 0 87 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.877 108.7 40.0 -55.4 -35.8 19.9 5.8 44.0 76 86 A V H >< S+ 0 0 14 -4,-1.5 3,-2.3 1,-0.2 4,-0.4 0.961 114.0 49.1 -76.5 -57.5 21.2 9.3 44.3 77 87 A L H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.3 101,-0.2 0.709 97.3 74.9 -56.3 -19.8 18.4 10.9 46.3 78 88 A A G >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.779 83.6 65.4 -65.1 -26.8 18.8 7.9 48.7 79 89 A H G < S+ 0 0 28 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.782 104.6 45.6 -65.3 -26.6 22.0 9.6 50.0 80 90 A F G < S+ 0 0 0 -3,-1.1 98,-3.9 -4,-0.4 -1,-0.3 0.257 81.1 127.2-101.8 12.4 19.8 12.4 51.3 81 91 A R S < S- 0 0 15 -3,-1.4 98,-0.1 96,-0.2 3,-0.1 -0.533 73.6-102.3 -69.6 128.6 17.2 10.1 52.8 82 92 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.188 39.7-111.0 -51.1 142.2 16.7 11.1 56.5 83 93 A V - 0 0 52 90,-0.1 2,-0.3 -3,-0.1 14,-0.0 -0.649 32.4-155.1 -81.9 129.6 18.5 8.7 58.8 84 94 A E >> - 0 0 97 -2,-0.4 3,-1.2 1,-0.1 4,-1.0 -0.701 28.0-116.3-101.9 155.3 16.2 6.5 60.9 85 95 A D H 3> S+ 0 0 130 1,-0.3 4,-1.6 -2,-0.3 3,-0.4 0.841 118.5 58.9 -58.5 -30.1 17.0 4.9 64.2 86 96 A E H 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.777 95.4 62.8 -69.2 -26.6 16.5 1.5 62.4 87 97 A D H <4 S+ 0 0 35 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 112.5 35.8 -65.4 -33.8 19.2 2.5 60.0 88 98 A T H < 0 0 106 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.710 360.0 360.0 -93.1 -23.8 21.7 2.5 62.8 89 99 A E < 0 0 156 -4,-1.6 -2,-0.1 -5,-0.2 -3,-0.1 0.946 360.0 360.0 -53.7 360.0 20.4 -0.3 65.0 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 105 A K 0 0 169 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 143.2 23.2 -5.2 58.0 92 106 A P - 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.441 360.0 -98.4 -74.1 145.1 24.3 -3.6 54.7 93 107 A E - 0 0 93 -2,-0.1 2,-0.1 1,-0.1 -6,-0.0 -0.479 40.3-132.8 -67.7 115.8 25.5 0.0 54.7 94 108 A P > - 0 0 33 0, 0.0 3,-2.2 0, 0.0 6,-0.3 -0.401 16.3-119.0 -70.2 143.5 22.6 2.3 53.6 95 109 A L T 3 S+ 0 0 40 -85,-0.5 -84,-0.1 1,-0.3 -2,-0.1 0.598 112.5 62.2 -57.1 -10.2 23.3 4.9 50.9 96 110 A N T 3 S+ 0 0 1 -16,-0.1 -1,-0.3 4,-0.1 -17,-0.1 0.208 74.8 121.1-103.9 15.8 22.4 7.5 53.6 97 111 A S S <> S- 0 0 22 -3,-2.2 4,-2.4 1,-0.1 3,-0.3 -0.376 78.9-109.2 -73.8 158.0 25.1 6.7 56.0 98 112 A R H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.944 120.4 55.2 -50.6 -51.8 27.5 9.5 57.0 99 113 A R H > S+ 0 0 118 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.870 111.9 42.3 -49.3 -45.6 30.3 7.7 55.0 100 114 A N H > S+ 0 0 22 -6,-0.3 4,-2.1 -3,-0.3 -1,-0.3 0.799 111.4 53.8 -75.7 -30.6 28.1 7.7 51.9 101 115 A K H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.2 -2,-0.2 0.910 112.4 45.9 -68.7 -40.3 26.8 11.2 52.3 102 116 A L H X S+ 0 0 2 -4,-2.9 4,-3.4 -5,-0.2 -2,-0.2 0.888 110.2 53.4 -66.5 -42.4 30.5 12.4 52.5 103 117 A H H X S+ 0 0 54 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.898 109.2 49.7 -59.8 -42.2 31.4 10.3 49.5 104 118 A Y H X S+ 0 0 8 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.945 114.6 42.6 -63.6 -47.9 28.7 11.9 47.5 105 119 A A H >X S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 4,-0.8 0.919 113.3 53.9 -63.9 -42.7 29.7 15.4 48.5 106 120 A F H >X S+ 0 0 10 -4,-3.4 4,-2.4 1,-0.3 3,-1.4 0.918 103.1 56.7 -57.1 -45.1 33.4 14.4 48.0 107 121 A Q H 3< S+ 0 0 115 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.656 101.9 57.7 -63.3 -14.8 32.6 13.2 44.5 108 122 A L H << S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.687 110.4 41.3 -88.1 -20.4 31.2 16.7 43.7 109 123 A Y H << S+ 0 0 1 -3,-1.4 2,-1.6 -4,-0.8 -2,-0.2 0.895 111.0 58.1 -84.6 -54.2 34.5 18.4 44.6 110 124 A D >< + 0 0 5 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 -0.602 64.8 167.9 -80.0 82.3 36.7 15.8 42.9 111 125 A L T 3 S+ 0 0 86 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.891 73.3 55.9 -66.9 -41.0 35.4 15.9 39.4 112 126 A D T 3 S- 0 0 90 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.459 102.7-134.6 -72.9 3.7 38.2 13.9 37.8 113 127 A R < + 0 0 173 -3,-1.0 -2,-0.1 -6,-0.2 -1,-0.1 0.807 59.5 140.3 47.7 37.2 37.3 11.2 40.3 114 128 A D S S- 0 0 65 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.516 74.6-106.1 -85.5 -5.9 41.0 10.7 41.0 115 129 A G S S+ 0 0 41 1,-0.2 45,-0.6 -5,-0.1 2,-0.3 0.385 91.8 76.6 97.7 -3.9 40.4 10.3 44.8 116 130 A K E S-A 159 0A 80 43,-0.2 2,-0.9 44,-0.1 -2,-0.3 -0.979 74.3-125.6-141.5 154.2 41.7 13.7 45.8 117 131 A I E -A 158 0A 1 41,-1.5 41,-0.7 -2,-0.3 -7,-0.1 -0.841 30.4-155.4-101.4 101.0 40.7 17.3 45.8 118 132 A S > - 0 0 33 -2,-0.9 4,-1.1 39,-0.2 5,-0.1 -0.115 32.7-104.9 -64.9 171.4 43.4 19.3 44.0 119 133 A R H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.776 125.0 52.9 -69.4 -24.8 43.8 23.0 44.8 120 134 A H H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 103.4 53.5 -75.9 -43.6 42.1 23.6 41.4 121 135 A E H > S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.770 114.0 44.5 -61.8 -26.2 39.1 21.4 42.1 122 136 A M H X S+ 0 0 3 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.842 109.3 55.7 -83.7 -40.1 38.6 23.4 45.3 123 137 A L H X S+ 0 0 19 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.843 106.8 50.9 -60.9 -36.2 39.2 26.7 43.5 124 138 A Q H X S+ 0 0 42 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.913 110.1 48.2 -71.2 -41.1 36.4 25.8 41.0 125 139 A V H >X S+ 0 0 0 -4,-1.0 4,-1.1 -5,-0.2 3,-0.7 0.922 111.7 52.6 -63.9 -40.8 34.0 25.0 43.8 126 140 A L H >< S+ 0 0 5 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.918 102.1 54.9 -62.1 -46.7 34.9 28.3 45.5 127 141 A R H 3< S+ 0 0 102 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.709 105.9 57.6 -61.9 -16.0 34.3 30.5 42.4 128 142 A L H << S+ 0 0 64 -3,-0.7 2,-0.3 -4,-0.7 -1,-0.3 0.835 111.2 39.3 -81.9 -32.5 30.9 29.0 42.4 129 143 A M S << S+ 0 0 13 -4,-1.1 -1,-0.2 -3,-0.8 2,-0.2 -0.504 83.5 103.5-119.4 66.0 30.0 30.1 45.9 130 144 A V - 0 0 46 -3,-0.4 4,-0.3 -2,-0.3 -1,-0.1 -0.639 40.4-175.5-145.0 82.6 31.4 33.6 46.5 131 145 A G + 0 0 83 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.912 67.8 65.3 -39.9 -76.9 28.8 36.4 46.4 132 146 A V S S- 0 0 117 1,-0.2 2,-0.2 0, 0.0 0, 0.0 -0.261 106.6 -96.4 -53.7 132.3 31.0 39.5 46.7 133 147 A Q - 0 0 195 1,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.357 51.1-166.3 -54.6 115.8 33.3 39.8 43.7 134 148 A V - 0 0 32 -4,-0.3 -1,-0.0 -2,-0.2 -4,-0.0 -0.911 23.4-108.5-112.4 136.5 36.5 38.2 44.9 135 149 A T > - 0 0 70 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.296 26.7-120.3 -59.2 141.9 39.9 38.5 43.2 136 150 A E H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.693 116.4 56.8 -58.2 -14.3 41.0 35.3 41.5 137 151 A E H > S+ 0 0 104 2,-0.2 4,-2.9 3,-0.1 -1,-0.2 0.927 98.4 53.4 -82.2 -50.0 43.9 35.7 43.9 138 152 A Q H > S+ 0 0 89 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.904 112.1 51.3 -49.8 -40.7 42.0 35.8 47.2 139 153 A L H X>S+ 0 0 8 -4,-1.9 4,-3.9 2,-0.2 5,-0.5 0.978 106.0 49.6 -60.0 -60.8 40.5 32.6 45.9 140 154 A E H X5S+ 0 0 82 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.891 114.2 49.9 -45.5 -42.4 43.8 30.9 45.1 141 155 A N H X5S+ 0 0 88 -4,-2.9 4,-3.6 2,-0.2 -1,-0.3 0.941 115.4 40.9 -62.4 -50.3 44.7 32.0 48.6 142 156 A I H X5S+ 0 0 45 -4,-3.0 4,-4.2 2,-0.2 5,-0.3 0.972 116.1 48.2 -62.7 -55.8 41.5 30.6 50.1 143 157 A A H X5S+ 0 0 2 -4,-3.9 4,-2.7 2,-0.2 5,-0.2 0.882 116.8 47.3 -51.1 -39.4 41.6 27.4 48.0 144 158 A D H X -A 116 0A 27 -2,-0.6 4,-1.1 -43,-0.2 -43,-0.2 -0.298 36.3-101.5 -79.4 172.4 41.8 12.5 50.1 160 174 A F H > S+ 0 0 34 -45,-0.6 4,-3.1 1,-0.2 5,-0.1 0.907 122.9 50.5 -62.5 -39.5 38.4 11.3 51.2 161 175 A V H > S+ 0 0 100 2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.926 109.9 46.9 -64.6 -45.8 39.7 10.5 54.7 162 176 A E H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.745 114.7 52.0 -66.8 -19.9 41.3 13.9 55.2 163 177 A F H < S+ 0 0 3 -4,-1.1 -2,-0.3 2,-0.2 -1,-0.2 0.917 110.6 44.4 -78.2 -48.0 38.0 15.1 53.9 164 178 A T H >< S+ 0 0 43 -4,-3.1 3,-2.4 1,-0.2 -2,-0.2 0.960 112.8 53.1 -58.5 -52.7 36.0 13.0 56.4 165 179 A K H >< S+ 0 0 122 -4,-3.7 3,-1.6 1,-0.3 4,-0.2 0.861 101.0 60.1 -50.2 -43.7 38.4 14.1 59.1 166 180 A S T 3< S+ 0 0 21 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.511 109.9 43.8 -67.4 -3.2 37.9 17.8 58.3 167 181 A L T X S+ 0 0 1 -3,-2.4 3,-2.1 -4,-0.2 5,-0.4 0.196 72.9 115.0-126.8 16.5 34.2 17.3 59.0 168 182 A E T < S+ 0 0 122 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.812 85.5 43.1 -56.9 -34.0 34.2 15.3 62.3 169 183 A K T 3 S+ 0 0 138 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.269 98.0 105.4 -95.4 11.5 32.7 18.1 64.2 170 184 A M S < S- 0 0 9 -3,-2.1 2,-1.3 1,-0.1 3,-0.3 -0.705 74.9-132.6 -94.7 143.5 30.2 18.7 61.4 171 185 A D > + 0 0 83 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 -0.392 47.2 154.9 -89.0 56.7 26.6 17.7 61.6 172 186 A V H > + 0 0 0 -2,-1.3 4,-1.1 -5,-0.4 -1,-0.2 0.869 62.5 62.5 -51.2 -46.3 26.8 16.1 58.1 173 187 A E H >4 S+ 0 0 54 -3,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.934 115.2 32.1 -44.9 -57.6 24.0 13.7 58.7 174 188 A Q H >4 S+ 0 0 129 -3,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.857 112.5 59.5 -71.5 -41.1 21.5 16.6 59.1 175 189 A K H 3< S+ 0 0 38 -4,-2.6 24,-0.3 1,-0.3 -1,-0.2 0.596 115.2 40.4 -67.0 -7.1 23.1 19.0 56.7 176 190 A M T << S+ 0 0 0 -4,-1.1 2,-0.5 -3,-0.5 -1,-0.3 0.082 89.7 107.1-128.4 23.4 22.5 16.4 54.1 177 191 A S S < S- 0 0 16 -3,-1.6 2,-0.7 -5,-0.0 -96,-0.2 -0.914 72.8-118.1-110.1 128.4 19.1 15.0 54.9 178 192 A I > - 0 0 2 -98,-3.9 4,-0.5 -2,-0.5 -2,-0.0 -0.477 29.8-173.6 -64.1 106.8 16.1 15.8 52.8 179 193 A R T >4 S+ 0 0 142 -2,-0.7 3,-2.7 1,-0.2 -1,-0.2 0.998 75.0 57.6 -64.2 -70.4 13.7 17.6 55.1 180 194 A I T 34 S+ 0 0 45 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.747 93.6 69.8 -30.1 -47.9 10.6 18.0 52.9 181 195 A L T 34 0 0 32 -161,-0.0 -1,-0.3 -164,-0.0 -2,-0.2 0.846 360.0 360.0 -44.4 -43.8 10.4 14.2 52.4 182 196 A K << 0 0 181 -3,-2.7 -3,-0.0 -4,-0.5 0, 0.0 -0.128 360.0 360.0 -66.3 360.0 9.4 13.8 56.1 183 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 184 516 B R 0 0 172 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.0 34.9 27.1 62.8 185 517 B S > - 0 0 41 1,-0.1 4,-1.8 -19,-0.1 5,-0.1 0.019 360.0-105.6 -54.7 163.3 37.8 26.2 60.4 186 518 B I H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 121.6 53.6 -57.1 -45.6 37.9 27.4 56.8 187 519 B N H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.974 103.4 53.3 -52.8 -63.1 36.9 23.9 55.7 188 520 B E H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 111.8 48.5 -40.8 -44.4 33.8 23.7 57.9 189 521 B E H X S+ 0 0 82 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.953 113.0 44.5 -64.4 -51.8 32.7 27.0 56.4 190 522 B I H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.966 117.8 45.0 -55.5 -56.3 33.3 26.0 52.7 191 523 B H H X S+ 0 0 4 -4,-2.8 4,-3.7 2,-0.2 5,-0.3 0.834 108.1 58.3 -58.5 -36.7 31.7 22.7 53.2 192 524 B T H X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.4 -1,-0.2 0.984 110.4 41.5 -58.2 -57.9 28.8 24.1 55.1 193 525 B Q H X S+ 0 0 74 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.876 116.3 53.0 -56.5 -37.8 27.8 26.4 52.2 194 526 B F H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.969 109.7 43.8 -63.5 -55.5 28.5 23.5 49.9 195 527 B L H X S+ 0 0 4 -4,-3.7 4,-3.2 1,-0.2 5,-0.2 0.861 114.3 54.6 -58.2 -34.6 26.3 20.9 51.7 196 528 B D H X S+ 0 0 73 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.958 110.1 42.2 -64.3 -52.4 23.7 23.7 51.9 197 529 B H H X S+ 0 0 49 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.812 116.6 54.0 -63.4 -28.4 23.7 24.4 48.2 198 530 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.972 107.8 44.7 -68.9 -57.6 23.8 20.7 47.7 199 531 B L H X S+ 0 0 1 -4,-3.2 4,-3.4 -24,-0.3 5,-0.3 0.916 112.8 53.3 -53.4 -48.4 20.7 19.8 49.8 200 532 B T H X S+ 0 0 48 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.943 109.0 47.5 -53.7 -54.1 18.8 22.7 48.3 201 533 B G H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.937 113.8 49.0 -53.6 -48.5 19.4 21.5 44.8 202 534 B I H >X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-1.1 0.939 109.9 49.9 -56.9 -50.7 18.5 17.9 45.8 203 535 B E H 3X S+ 0 0 12 -4,-3.4 4,-1.2 1,-0.3 -1,-0.2 0.823 109.1 54.0 -58.6 -31.0 15.3 19.1 47.5 204 536 B D H 3< S+ 0 0 20 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.727 104.2 54.1 -75.7 -21.6 14.5 21.0 44.3 205 537 B I H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-1.1 -1,-0.2 0.794 111.3 46.2 -78.7 -28.9 15.0 17.8 42.3 206 538 B C H < S- 0 0 7 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.724 112.5-136.2 -82.3 -24.7 12.4 16.2 44.6 207 539 B G < 0 0 7 -4,-1.2 -2,-0.1 -5,-0.2 -1,-0.1 0.182 360.0 360.0 83.1 154.7 10.1 19.2 44.3 208 540 B H 0 0 148 -4,-0.1 -4,-0.0 -3,-0.0 0, 0.0 -0.434 360.0 360.0-111.1 360.0 8.2 21.1 46.9