==== 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 HYDROLASE 12-SEP-07 2R9C . COMPND 2 MOLECULE: CALPAIN-1 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.QIAN,R.L.CAMPBELL,P.L.DAVIES . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 4 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 2 1 0 2 1 0 1 1 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 2 0 0 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 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 33 A N 0 0 207 0, 0.0 126,-0.1 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 129.7 -19.0 2.4 -10.1 2 34 A A - 0 0 22 126,-0.1 126,-0.2 1,-0.1 2,-0.2 -0.209 360.0-124.8 -53.7 141.8 -18.0 4.6 -7.2 3 35 A I E -a 128 0A 86 124,-2.2 126,-2.5 1,-0.1 2,-0.5 -0.646 32.4 -97.7 -90.9 155.4 -18.3 8.3 -7.9 4 36 A K E > -a 129 0A 101 -2,-0.2 3,-2.2 124,-0.2 2,-0.2 -0.582 30.3-125.9 -84.9 116.7 -15.3 10.6 -7.4 5 37 A Y G > S- 0 0 39 124,-2.6 3,-2.0 -2,-0.5 126,-0.2 -0.422 96.0 -5.1 -55.1 124.8 -15.0 12.5 -4.1 6 38 A L G 3 S- 0 0 109 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.625 122.0 -77.1 63.5 14.0 -14.5 16.2 -4.9 7 39 A G G < S+ 0 0 55 -3,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.515 87.5 153.4 71.3 7.0 -14.3 15.1 -8.6 8 40 A Q < - 0 0 30 -3,-2.0 2,-0.8 121,-0.1 -1,-0.3 -0.553 34.5-149.4 -72.5 128.8 -10.7 13.9 -8.0 9 41 A D > - 0 0 59 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 -0.858 7.1-161.6-110.2 101.5 -10.0 11.1 -10.6 10 42 A Y H > S+ 0 0 36 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.909 88.3 41.1 -47.3 -58.7 -7.5 8.5 -9.3 11 43 A E H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 117.3 48.3 -67.2 -39.6 -6.5 6.9 -12.6 12 44 A N H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 114.1 45.2 -64.1 -45.1 -6.3 10.3 -14.4 13 45 A L H X S+ 0 0 31 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.916 115.1 49.0 -63.0 -44.9 -4.2 11.9 -11.7 14 46 A R H X S+ 0 0 45 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.947 113.1 46.6 -60.2 -50.1 -1.9 8.9 -11.4 15 47 A A H X S+ 0 0 38 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.901 114.4 46.9 -63.8 -37.5 -1.4 8.7 -15.2 16 48 A R H X S+ 0 0 111 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.905 109.9 52.4 -74.8 -38.1 -0.7 12.5 -15.5 17 49 A C H X>S+ 0 0 16 -4,-2.8 5,-2.3 2,-0.2 4,-0.6 0.929 111.2 48.9 -57.1 -44.2 1.7 12.4 -12.5 18 50 A L H ><5S+ 0 0 76 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.901 112.7 47.0 -63.5 -42.9 3.6 9.6 -14.2 19 51 A Q H 3<5S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.2 48.3 -61.4 -41.1 3.7 11.5 -17.5 20 52 A N H 3<5S- 0 0 106 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.427 110.6-122.7 -85.4 -1.3 4.9 14.7 -15.8 21 53 A G T <<5S+ 0 0 70 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.786 73.2 111.8 69.3 27.5 7.6 12.8 -13.9 22 54 A V < - 0 0 81 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.863 67.7-114.5-125.7 165.7 6.3 13.9 -10.5 23 55 A L - 0 0 64 -2,-0.3 92,-0.2 -3,-0.1 110,-0.1 -0.807 44.0 -98.4 -98.1 145.7 4.6 12.3 -7.4 24 56 A F - 0 0 15 90,-3.1 2,-0.4 -2,-0.4 110,-0.3 -0.265 33.1-170.1 -63.0 141.0 1.1 13.3 -6.5 25 57 A Q - 0 0 121 108,-0.1 2,-0.9 109,-0.1 91,-0.1 -0.993 25.0-127.7-132.1 128.1 0.5 15.9 -3.8 26 58 A D > - 0 0 0 -2,-0.4 3,-1.7 3,-0.3 107,-0.1 -0.614 19.0-170.3 -89.0 103.8 -3.2 16.3 -2.8 27 59 A D T 3 S+ 0 0 154 -2,-0.9 -1,-0.2 1,-0.3 0, 0.0 0.777 89.6 56.9 -56.0 -25.9 -4.6 19.8 -2.9 28 60 A A T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -22,-0.0 -2,-0.1 0.506 127.0 13.6 -85.1 -11.4 -7.7 18.6 -1.1 29 61 A F S < S- 0 0 6 -3,-1.7 -3,-0.3 137,-0.0 104,-0.3 -0.411 90.8-168.4-161.8 69.8 -5.8 17.2 1.9 30 62 A P - 0 0 45 0, 0.0 2,-2.3 0, 0.0 5,-0.2 -0.182 35.6 -98.9 -76.3 165.0 -2.3 18.6 1.7 31 63 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.434 87.2 102.3 -82.3 67.8 0.8 17.6 3.7 32 64 A V S >> S- 0 0 71 -2,-2.3 3,-1.9 20,-0.1 4,-0.7 -0.894 88.5 -88.7-144.4 175.0 0.5 20.4 6.2 33 65 A S H >> S+ 0 0 32 1,-0.3 4,-2.4 -2,-0.3 3,-0.8 0.781 116.7 65.9 -67.1 -28.9 -0.7 20.9 9.8 34 66 A H H 34 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.761 98.8 54.7 -64.6 -20.0 -4.4 21.6 8.9 35 67 A S H <4 S+ 0 0 4 -3,-1.9 135,-1.9 -5,-0.2 -1,-0.3 0.734 108.8 50.1 -79.1 -23.9 -4.6 18.0 7.7 36 68 A L H << S- 0 0 3 -3,-0.8 135,-2.4 -4,-0.7 2,-0.3 0.927 121.2 -84.0 -75.8 -49.1 -3.4 16.9 11.1 37 69 A G < - 0 0 3 -4,-2.4 -1,-0.3 4,-0.4 133,-0.0 -0.972 20.4-103.8 171.0-159.5 -5.8 18.9 13.2 38 70 A F S S+ 0 0 137 -2,-0.3 4,-0.1 4,-0.2 -1,-0.1 0.468 98.1 8.5-142.2 -19.6 -6.9 22.2 14.8 39 71 A K S > S+ 0 0 158 3,-0.1 3,-1.3 4,-0.1 5,-0.1 0.400 136.1 24.0-134.6 -79.1 -6.4 22.0 18.6 40 72 A E T 3 S+ 0 0 116 1,-0.3 7,-0.5 5,-0.1 8,-0.3 0.812 144.7 26.7 -61.8 -33.7 -4.4 19.0 19.9 41 73 A L T 3 S+ 0 0 7 6,-0.1 -4,-0.4 5,-0.1 -1,-0.3 -0.149 98.9 132.5-118.0 33.5 -2.9 18.7 16.4 42 74 A G S X S- 0 0 3 -3,-1.3 3,-1.8 -6,-0.1 6,-0.3 -0.271 75.7 -86.9 -82.3 175.5 -3.2 22.4 15.5 43 75 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.778 125.8 38.3 -55.3 -30.8 -0.4 24.6 14.0 44 76 A N T 3 S+ 0 0 133 -5,-0.1 2,-0.3 4,-0.1 -3,-0.0 0.055 90.5 118.6-111.5 30.1 1.0 25.6 17.4 45 77 A S <> - 0 0 17 -3,-1.8 4,-2.2 1,-0.1 -5,-0.1 -0.640 69.7-124.4-100.0 151.1 0.7 22.4 19.3 46 78 A S H > S+ 0 0 112 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.876 112.9 51.5 -55.4 -40.5 3.5 20.2 20.8 47 79 A K H >> S+ 0 0 117 -7,-0.5 3,-0.8 1,-0.2 4,-0.5 0.938 108.4 50.1 -66.0 -43.3 2.3 17.2 18.8 48 80 A T H >4 S+ 0 0 14 -8,-0.3 3,-1.7 -6,-0.3 -2,-0.2 0.930 101.8 62.1 -61.4 -47.0 2.3 19.0 15.5 49 81 A Y H 3< S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.732 101.9 51.5 -51.3 -30.1 5.8 20.4 15.9 50 82 A G H << S+ 0 0 28 -4,-0.8 90,-0.3 -3,-0.8 2,-0.3 0.654 92.1 96.8 -81.1 -12.9 7.4 16.8 16.0 51 83 A I << - 0 0 23 -3,-1.7 2,-0.4 -4,-0.5 88,-0.2 -0.564 45.9-177.5 -94.5 135.4 5.7 15.6 12.8 52 84 A K E -C 138 0B 140 86,-2.7 86,-2.0 -2,-0.3 2,-0.5 -0.990 27.2-126.5-124.2 134.8 7.2 15.5 9.4 53 85 A W E +C 137 0B 41 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.728 39.9 164.7 -80.8 126.8 5.3 14.3 6.3 54 86 A K E -C 136 0B 64 82,-2.2 82,-2.3 -2,-0.5 -2,-0.0 -0.996 33.4-124.1-144.1 142.5 7.1 11.5 4.4 55 87 A R >> - 0 0 14 -2,-0.3 3,-2.3 80,-0.2 4,-1.5 -0.539 28.1-117.3 -80.9 152.5 6.2 9.0 1.8 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.820 119.2 59.6 -57.2 -26.4 6.8 5.2 2.4 57 89 A T H 34 S+ 0 0 49 1,-0.2 -2,-0.0 2,-0.2 52,-0.0 0.483 105.8 47.5 -79.4 -8.2 9.2 5.4 -0.6 58 90 A E H <4 S+ 0 0 117 -3,-2.3 -1,-0.2 1,-0.0 3,-0.1 0.635 115.0 46.9 -97.4 -27.5 11.2 8.0 1.4 59 91 A L H < S+ 0 0 45 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.879 119.1 20.8 -78.4 -45.2 11.2 5.8 4.5 60 92 A L < - 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 92,-0.0 -0.906 61.0-132.3-131.7 153.6 12.1 2.4 3.1 61 93 A S S S+ 0 0 133 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.837 107.6 28.9 -72.5 -29.6 13.8 0.9 0.2 62 94 A N S S+ 0 0 91 -6,-0.1 -1,-0.2 2,-0.0 -5,-0.1 -0.444 75.7 173.2-134.2 58.4 11.1 -1.7 -0.3 63 95 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.406 15.0-157.5 -66.4 152.1 7.7 -0.3 0.9 64 96 A Q B -e 153 0C 50 88,-2.9 90,-2.2 1,-0.2 91,-0.3 -0.968 21.6-149.7-132.6 142.1 4.7 -2.6 0.2 65 97 A F S S+ 0 0 8 -2,-0.4 90,-2.3 1,-0.3 2,-0.4 0.975 92.0 12.0 -73.5 -54.2 1.0 -1.8 -0.0 66 98 A I - 0 0 53 41,-0.2 2,-0.4 88,-0.1 -1,-0.3 -0.985 67.2-172.3-126.5 134.8 -0.1 -5.2 1.2 67 99 A V S S- 0 0 24 2,-0.5 83,-0.1 -2,-0.4 86,-0.1 -0.989 75.6 -14.4-125.0 123.5 2.2 -7.9 2.7 68 100 A D S S- 0 0 150 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.873 128.5 -48.3 53.9 41.0 0.9 -11.4 3.4 69 101 A G - 0 0 33 1,-0.1 2,-0.9 -3,-0.1 -2,-0.5 0.125 69.8 -79.8 87.4 155.4 -2.7 -10.2 2.9 70 102 A A S S+ 0 0 3 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.867 73.5 156.5 -91.6 100.8 -4.7 -7.3 4.3 71 103 A T > - 0 0 50 -2,-0.9 3,-1.9 23,-0.0 23,-0.1 -0.779 57.3 -96.1-129.9 172.0 -5.5 -8.7 7.8 72 104 A R G > S+ 0 0 51 1,-0.3 3,-1.6 -2,-0.2 18,-0.1 0.732 115.1 66.6 -68.7 -25.4 -6.3 -7.5 11.2 73 105 A T G 3 S+ 0 0 60 1,-0.3 76,-1.4 17,-0.1 -1,-0.3 0.642 89.2 70.9 -67.7 -10.8 -2.7 -7.7 12.6 74 106 A D G < S+ 0 0 5 -3,-1.9 2,-0.8 74,-0.2 -1,-0.3 0.436 82.4 82.6 -78.7 -2.9 -2.0 -4.9 10.1 75 107 A I < + 0 0 0 -3,-1.6 2,-0.5 73,-0.1 73,-0.2 -0.842 50.8 156.1-109.3 93.0 -4.1 -2.5 12.4 76 108 A C B -F 147 0D 15 71,-2.0 71,-2.0 -2,-0.8 190,-0.2 -0.967 40.7-124.0-124.0 113.7 -1.9 -1.2 15.2 77 109 A Q - 0 0 27 188,-2.4 69,-0.1 -2,-0.5 2,-0.1 -0.184 25.2-163.6 -63.9 141.7 -3.2 2.0 16.6 78 110 A G - 0 0 18 1,-0.0 2,-1.9 2,-0.0 67,-0.3 -0.146 49.2 -49.7-102.1-152.9 -1.0 5.2 16.9 79 111 A A S S+ 0 0 67 65,-2.5 2,-0.3 -2,-0.1 66,-0.1 -0.466 100.6 89.0 -89.9 71.7 -1.3 8.4 18.8 80 112 A L S S- 0 0 18 -2,-1.9 2,-0.5 93,-0.1 3,-0.1 -0.977 81.4-112.0-158.8 153.7 -4.9 9.4 18.0 81 113 A G S S+ 0 0 30 -2,-0.3 94,-2.8 1,-0.2 3,-0.4 -0.066 79.6 112.3 -82.4 39.5 -8.4 8.8 19.5 82 114 A D > + 0 0 0 -2,-0.5 4,-2.4 1,-0.2 3,-0.4 -0.012 23.2 126.4-106.7 35.3 -9.6 6.7 16.5 83 115 A C H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.862 73.7 58.0 -56.0 -38.3 -9.9 3.3 18.2 84 116 A W H > S+ 0 0 15 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.894 109.0 44.4 -58.9 -44.1 -13.5 3.1 16.9 85 117 A L H > S+ 0 0 0 -3,-0.4 4,-2.3 88,-0.2 -2,-0.2 0.926 114.4 48.1 -64.7 -46.6 -12.3 3.5 13.3 86 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.874 107.8 54.6 -70.7 -35.2 -9.5 1.0 13.7 87 119 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.907 109.7 49.9 -58.1 -42.4 -11.7 -1.6 15.4 88 120 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.915 110.0 48.6 -64.6 -45.1 -14.0 -1.3 12.3 89 121 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.935 110.2 52.0 -60.4 -45.2 -11.0 -1.7 9.9 90 122 A A H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.922 112.1 46.0 -55.6 -44.6 -9.8 -4.8 11.8 91 123 A S H >< S+ 0 0 3 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.891 106.2 60.9 -65.5 -37.4 -13.4 -6.3 11.5 92 124 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 7,-0.4 0.866 93.5 64.2 -56.5 -39.4 -13.5 -5.4 7.9 93 125 A T T 3< S+ 0 0 10 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.678 89.0 68.4 -62.9 -16.7 -10.5 -7.6 7.1 94 126 A L T < S+ 0 0 73 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.3 0.569 94.9 59.8 -78.1 -8.6 -12.4 -10.7 8.1 95 127 A N <> - 0 0 28 -3,-1.9 4,-2.7 -4,-0.2 -1,-0.2 -0.902 69.5-167.7-123.3 97.2 -14.7 -10.3 5.1 96 128 A E H > S+ 0 0 109 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.830 84.0 54.6 -55.2 -41.5 -12.6 -10.5 1.9 97 129 A T H > S+ 0 0 110 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.954 114.7 37.7 -59.2 -53.4 -15.4 -9.2 -0.4 98 130 A I H >> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.873 112.4 60.2 -70.7 -34.5 -16.1 -6.0 1.6 99 131 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 -7,-0.4 -1,-0.2 0.943 107.4 44.5 -55.1 -48.4 -12.4 -5.5 2.4 100 132 A H H 3< S+ 0 0 25 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.546 105.1 60.6 -87.9 -2.1 -11.6 -5.3 -1.3 101 133 A R H << S+ 0 0 87 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.881 114.4 37.4 -71.7 -46.6 -14.5 -3.0 -2.1 102 134 A V H < S+ 0 0 0 -4,-1.9 18,-2.0 1,-0.3 -2,-0.2 0.874 125.1 41.7 -72.8 -35.7 -13.0 -0.5 0.4 103 135 A V S < S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 16,-0.1 -0.851 91.7-142.4-116.5 90.8 -9.4 -1.3 -0.6 104 136 A P - 0 0 21 0, 0.0 3,-0.4 0, 0.0 14,-0.1 -0.206 17.6-112.6 -57.9 145.4 -9.2 -1.6 -4.4 105 137 A Y S S+ 0 0 161 -5,-0.3 -5,-0.0 1,-0.2 0, 0.0 -0.276 89.3 46.2 -65.0 154.9 -7.0 -4.2 -5.9 106 138 A G + 0 0 80 1,-0.3 2,-0.5 -2,-0.0 -1,-0.2 0.654 69.2 135.6 93.0 20.2 -3.9 -3.3 -8.0 107 139 A Q + 0 0 14 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.3 -0.854 24.3 150.6-108.3 134.5 -2.2 -0.7 -5.9 108 140 A S - 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B 0 122A 66 -2,-0.3 -124,-2.2 -5,-0.2 2,-0.4 -0.888 49.8-170.3 -83.0 121.5 -20.1 4.9 -2.7 128 160 A V E -aB 3 121A 5 -7,-3.2 -7,-2.2 -2,-0.6 2,-0.5 -0.921 24.1-136.4-122.8 138.5 -17.3 7.4 -3.2 129 161 A D E -aB 4 120A 11 -126,-2.5 -124,-2.6 -2,-0.4 2,-0.5 -0.877 24.1-165.0 -91.1 127.9 -13.7 6.9 -4.4 130 162 A V E - B 0 119A 0 -11,-3.3 -11,-2.2 -2,-0.5 2,-0.3 -0.961 2.7-154.7-120.0 124.0 -11.3 9.0 -2.3 131 163 A V E - B 0 118A 0 -2,-0.5 2,-0.3 -126,-0.2 -13,-0.2 -0.650 12.1-178.6 -93.6 152.9 -7.7 9.6 -3.4 132 164 A V E - B 0 117A 0 -15,-2.4 -15,-2.6 -2,-0.3 2,-0.2 -0.984 26.5-126.8-138.0 152.0 -4.8 10.4 -1.1 133 165 A D E - B 0 116A 0 -2,-0.3 -17,-0.2 -104,-0.3 -108,-0.1 -0.548 33.3-117.7 -79.4 164.2 -1.2 11.2 -1.8 134 166 A D S S+ 0 0 0 -19,-1.3 2,-0.4 -110,-0.3 -18,-0.1 0.250 71.1 126.3 -97.3 16.9 1.1 8.9 0.2 135 167 A L - 0 0 14 -20,-0.3 -80,-0.2 -80,-0.2 -2,-0.1 -0.591 44.2-170.0 -64.6 125.8 2.7 11.5 2.4 136 168 A L E -C 54 0B 2 -82,-2.3 -82,-2.2 -2,-0.4 2,-0.2 -0.925 29.4 -99.9-125.0 146.6 2.2 10.2 5.9 137 169 A P E +C 53 0B 3 0, 0.0 7,-2.0 0, 0.0 8,-0.5 -0.479 53.1 170.5 -64.4 125.0 2.7 11.8 9.4 138 170 A T E -CD 52 143B 0 -86,-2.0 -86,-2.7 5,-0.3 2,-0.3 -0.930 25.9-163.3-132.5 160.2 6.0 10.5 10.8 139 171 A K E > S- D 0 142B 107 3,-2.2 3,-1.7 -2,-0.3 -88,-0.1 -0.956 83.2 -8.6-144.0 125.8 8.3 11.2 13.8 140 172 A D T 3 S- 0 0 141 -2,-0.3 3,-0.1 -90,-0.3 -89,-0.1 0.873 131.3 -54.9 52.5 38.8 11.9 10.0 13.8 141 173 A G T 3 S+ 0 0 32 1,-0.2 2,-0.3 -89,-0.1 -1,-0.3 0.463 116.9 105.8 81.1 2.5 11.1 7.9 10.7 142 174 A K E < S-D 139 0B 156 -3,-1.7 -3,-2.2 5,-0.0 -1,-0.2 -0.881 78.2 -99.8-118.3 147.3 8.1 6.1 12.1 143 175 A L E -D 138 0B 33 -2,-0.3 -5,-0.3 -5,-0.2 4,-0.1 -0.366 23.9-156.4 -60.7 137.1 4.4 6.5 11.5 144 176 A V S S+ 0 0 27 -7,-2.0 -65,-2.5 -66,-0.1 -1,-0.1 0.860 77.5 33.2 -79.3 -39.0 2.6 8.5 14.2 145 177 A F S S- 0 0 7 -8,-0.5 -66,-0.1 -67,-0.3 12,-0.1 0.292 117.0 -8.7-100.4-139.8 -0.9 7.1 13.6 146 178 A V + 0 0 1 11,-0.1 2,-0.3 10,-0.1 -1,-0.3 -0.228 66.2 168.4 -64.6 149.5 -2.0 3.6 12.5 147 179 A H B -F 76 0D 69 -71,-2.0 -71,-2.0 -3,-0.1 2,-0.2 -0.968 31.9-107.3-151.9 161.3 0.7 1.2 11.3 148 180 A S - 0 0 7 5,-0.6 -74,-0.2 2,-0.4 -73,-0.1 -0.585 22.8-124.2 -89.8 151.5 1.0 -2.5 10.5 149 181 A A S S+ 0 0 75 -76,-1.4 2,-0.8 -2,-0.2 -75,-0.1 0.727 109.2 74.4 -58.3 -25.2 2.8 -5.1 12.7 150 182 A Q S > S- 0 0 82 1,-0.1 3,-2.1 -83,-0.1 -2,-0.4 -0.853 84.9-152.1 -87.9 106.1 4.6 -5.6 9.3 151 183 A G T 3 S+ 0 0 65 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.581 89.2 50.7 -64.9 -10.3 6.8 -2.5 9.4 152 184 A N T 3 S+ 0 0 33 -89,-0.1 -88,-2.9 -90,-0.0 2,-0.4 0.228 88.0 101.5-109.1 15.6 7.0 -2.2 5.6 153 185 A E B < +e 64 0C 2 -3,-2.1 -5,-0.6 -90,-0.2 -88,-0.2 -0.872 39.3 171.9-108.9 130.7 3.2 -2.5 5.0 154 186 A F > + 0 0 5 -90,-2.2 4,-2.4 -2,-0.4 5,-0.2 0.517 46.0 98.6-120.4 -7.3 1.2 0.7 4.2 155 187 A W H > S+ 0 0 0 -90,-2.3 4,-2.5 -91,-0.3 5,-0.2 0.884 90.6 45.8 -54.2 -42.4 -2.4 -0.1 3.1 156 188 A S H > S+ 0 0 0 -91,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 111.2 51.6 -74.7 -32.8 -3.9 0.5 6.6 157 189 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 113.0 47.3 -62.4 -42.1 -2.0 3.8 7.1 158 190 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.894 111.3 49.8 -70.1 -38.3 -3.2 5.0 3.7 159 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.923 109.9 50.6 -66.2 -44.7 -6.8 3.9 4.5 160 192 A E H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 109.9 51.9 -58.2 -38.4 -6.8 5.7 7.8 161 193 A K H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.922 108.9 49.6 -63.2 -43.2 -5.4 8.8 6.0 162 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.883 111.2 49.3 -62.2 -38.9 -8.3 8.6 3.4 163 195 A Y H X S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.908 110.1 50.0 -70.7 -38.7 -10.9 8.4 6.2 164 196 A A H >X>S+ 0 0 0 -4,-2.4 5,-0.7 -5,-0.2 4,-0.7 0.926 107.7 57.4 -58.8 -44.4 -9.3 11.4 8.0 165 197 A K H ><5S+ 0 0 6 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.917 104.8 47.5 -55.8 -48.4 -9.5 13.3 4.7 166 198 A V H 3<5S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.744 115.6 47.8 -68.2 -22.5 -13.3 12.8 4.3 167 199 A N H <<5S- 0 0 68 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.413 118.3-110.6 -96.8 -2.0 -13.7 14.0 7.9 168 200 A G T <<5S+ 0 0 48 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 -0.087 80.6 1.6 106.6 -34.2 -11.4 17.0 7.5 169 201 A S S S+ 0 0 1 -135,-1.9 3,-2.1 -2,-0.3 4,-0.2 0.920 120.3 58.7 -59.9 -42.1 -6.8 13.3 11.7 171 203 A E G > S+ 0 0 17 -135,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.840 93.0 67.0 -60.5 -31.5 -7.9 15.2 14.9 172 204 A A G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -136,-0.1 -2,-0.2 0.714 94.8 60.9 -60.5 -20.7 -11.5 15.0 13.7 173 205 A L G < S+ 0 0 0 -3,-2.1 2,-0.6 -4,-0.4 -1,-0.3 0.495 75.2 111.7 -80.7 -6.8 -11.3 11.2 14.2 174 206 A S S < S+ 0 0 49 -3,-2.2 -92,-0.2 -4,-0.2 -3,-0.0 -0.580 80.5 11.2 -80.3 116.0 -10.5 11.5 17.9 175 207 A G S S+ 0 0 60 -94,-2.8 2,-0.3 -2,-0.6 -93,-0.1 0.626 87.0 138.5 88.7 115.8 -13.6 10.1 19.9 176 208 A G - 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