==== 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 11-JUN-08 3DF0 . COMPND 2 MOLECULE: CALPAIN-2 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.MOLDOVEANU,K.GEHRING,D.R.GREEN . 906 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 77 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 1 4 2 1 3 7 1 1 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 13 2 1 0 4 2 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 2 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 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 24 A A 0 0 85 0, 0.0 2,-0.3 0, 0.0 126,-0.2 0.000 360.0 360.0 360.0 146.1 19.2 -44.2 -6.5 2 25 A I E -a 127 0A 106 124,-2.8 126,-2.2 1,-0.1 2,-0.7 -0.642 360.0-119.3 -81.4 139.7 20.3 -47.2 -4.5 3 26 A K E > -a 128 0A 99 -2,-0.3 3,-1.9 124,-0.2 126,-0.1 -0.725 29.4-124.9 -83.6 112.6 17.8 -50.1 -4.3 4 27 A Y G > S- 0 0 42 124,-2.1 3,-2.5 -2,-0.7 126,-0.1 -0.227 89.9 -3.1 -56.4 141.0 16.8 -50.7 -0.7 5 28 A L G 3 S- 0 0 30 1,-0.3 -1,-0.3 733,-0.2 734,-0.1 0.678 119.3 -86.2 45.3 17.7 17.3 -54.2 0.6 6 29 A N G < S+ 0 0 107 -3,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.816 90.3 139.3 54.6 35.2 18.3 -54.8 -3.0 7 30 A Q < - 0 0 28 -3,-2.5 2,-0.4 121,-0.2 -1,-0.2 -0.853 41.9-143.5 -99.2 146.9 14.8 -55.4 -4.2 8 31 A D - 0 0 37 -2,-0.4 3,-0.2 1,-0.1 4,-0.1 -0.923 9.2-148.6-112.8 141.4 13.7 -53.8 -7.5 9 32 A Y S >> S+ 0 0 29 -2,-0.4 4,-2.5 1,-0.2 3,-1.7 0.966 98.8 44.8 -62.6 -58.5 10.3 -52.3 -8.5 10 33 A E T 34 S+ 0 0 97 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.507 110.7 54.6 -74.6 -5.2 10.3 -53.2 -12.2 11 34 A T T 34 S+ 0 0 81 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.341 112.9 44.5-102.4 2.1 11.5 -56.8 -11.5 12 35 A L T <4 S+ 0 0 33 -3,-1.7 3,-0.5 2,-0.1 -2,-0.2 0.792 111.0 49.9-101.6 -51.2 8.6 -57.3 -9.2 13 36 A R S >X S+ 0 0 76 -4,-2.5 4,-0.7 1,-0.3 3,-0.6 0.774 112.8 50.0 -56.4 -33.4 5.9 -55.7 -11.3 14 37 A N T 34 S+ 0 0 102 -4,-0.3 2,-0.4 -5,-0.3 4,-0.4 0.850 101.4 65.0 -66.9 -36.2 7.1 -57.9 -14.2 15 38 A E T 34 S+ 0 0 114 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 -0.015 96.1 56.5 -88.4 32.4 7.0 -60.9 -12.0 16 39 A C T X> S+ 0 0 4 -3,-0.6 4,-3.0 -2,-0.4 3,-0.6 0.648 95.2 55.5-123.3 -56.6 3.2 -60.9 -11.4 17 40 A L T 3< S+ 0 0 117 -4,-0.7 -2,-0.1 1,-0.3 -3,-0.1 0.604 121.6 39.4 -59.7 -8.9 1.6 -61.0 -14.9 18 41 A E T 34 S+ 0 0 187 -4,-0.4 -1,-0.3 0, 0.0 -3,-0.1 0.587 121.4 42.4-106.9 -17.5 3.8 -64.1 -15.0 19 42 A A T <4 S- 0 0 74 -3,-0.6 2,-0.2 2,-0.1 -2,-0.2 0.830 106.3-106.4 -99.2 -38.3 3.3 -65.3 -11.4 20 43 A G < - 0 0 64 -4,-3.0 -1,-0.1 1,-0.2 -4,-0.1 -0.744 62.8 -10.7 151.5-102.7 -0.5 -65.0 -10.6 21 44 A A S S- 0 0 74 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.188 89.6 -15.9-115.7-137.4 -2.1 -62.4 -8.3 22 45 A L - 0 0 77 1,-0.1 2,-0.4 92,-0.1 92,-0.2 -0.563 66.7-113.0 -89.9 142.3 -1.4 -59.6 -5.7 23 46 A F - 0 0 50 90,-1.5 110,-0.2 -2,-0.2 -1,-0.1 -0.581 20.7-164.3 -97.8 126.3 2.0 -59.4 -4.0 24 47 A Q - 0 0 112 -2,-0.4 -1,-0.1 108,-0.1 109,-0.1 0.088 27.5-115.8 -72.5-164.9 3.2 -59.9 -0.4 25 48 A D - 0 0 6 1,-0.1 3,-0.2 3,-0.1 107,-0.1 -0.793 22.1-175.8-149.3 97.1 6.6 -58.7 0.9 26 49 A P S S+ 0 0 96 0, 0.0 719,-0.1 0, 0.0 -1,-0.1 0.928 92.6 51.7 -56.3 -48.5 9.4 -61.1 2.1 27 50 A S S S+ 0 0 41 1,-0.2 104,-0.0 717,-0.1 -22,-0.0 0.829 122.1 28.9 -53.2 -40.5 11.6 -58.1 3.2 28 51 A F S S- 0 0 8 -3,-0.2 -1,-0.2 6,-0.0 104,-0.2 -0.820 85.5-146.2-135.2 89.5 8.7 -56.4 5.2 29 52 A P - 0 0 57 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.019 15.0-146.6 -50.2 150.7 6.2 -58.8 6.8 30 53 A A + 0 0 13 2,-0.0 22,-0.2 3,-0.0 105,-0.0 -0.364 67.8 118.9-105.2 44.5 2.5 -58.1 7.2 31 54 A L S > S- 0 0 110 1,-0.0 2,-3.3 0, 0.0 3,-2.5 -0.767 86.3 -88.3-110.3 156.8 2.8 -60.2 10.4 32 55 A P T 3 S+ 0 0 83 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.164 121.2 58.9 -69.3 52.1 2.1 -58.9 13.9 33 56 A S T 3 S+ 0 0 70 -2,-3.3 -3,-0.0 8,-0.1 8,-0.0 0.188 80.2 82.0-151.2 -0.2 5.7 -57.7 14.6 34 57 A S S < S+ 0 0 3 -3,-2.5 135,-0.6 1,-0.1 3,-0.1 -0.160 100.3 46.6 -87.0 31.2 5.8 -55.3 11.6 35 58 A L S S- 0 0 17 1,-0.4 135,-3.6 133,-0.2 136,-0.3 0.545 115.3 -34.1-136.9 -63.8 4.0 -53.1 14.2 36 59 A G - 0 0 2 133,-0.2 -1,-0.4 134,-0.1 5,-0.2 -0.867 24.4-151.1-161.8-173.1 5.5 -53.0 17.6 37 60 A F S S+ 0 0 59 -2,-0.3 6,-0.2 4,-0.2 4,-0.1 0.516 86.1 0.1-143.6 -43.8 7.3 -54.7 20.5 38 61 A K S > S+ 0 0 169 3,-0.1 3,-1.9 4,-0.1 5,-0.2 0.643 132.4 27.9-121.2 -81.4 6.3 -53.2 23.8 39 62 A E T 3 S+ 0 0 98 1,-0.3 7,-0.1 7,-0.1 -3,-0.0 0.682 144.8 21.5 -73.2 -20.5 3.8 -50.4 24.0 40 63 A L T 3 S+ 0 0 11 6,-0.1 -1,-0.3 5,-0.0 130,-0.1 -0.180 103.4 152.5-129.8 38.9 2.2 -51.7 20.8 41 64 A G X - 0 0 2 -3,-1.9 3,-2.4 -5,-0.2 6,-0.4 -0.298 65.1 -85.9 -78.8 154.8 3.6 -55.2 21.2 42 65 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.517 124.9 14.7 -25.3 -27.2 2.3 -58.6 19.9 43 66 A Y T 3 S+ 0 0 218 -5,-0.2 2,-0.6 -6,-0.2 3,-0.0 0.113 80.3 125.2-155.3 37.4 0.1 -58.8 23.1 44 67 A S S X S- 0 0 44 -3,-2.4 3,-2.5 1,-0.1 -6,-0.0 -0.871 77.7-109.3 -81.1 129.2 -0.2 -55.5 25.0 45 68 A S T 3 S+ 0 0 107 -2,-0.6 -1,-0.1 1,-0.3 -5,-0.0 0.728 112.8 74.0 -24.2 -54.1 -4.0 -55.1 25.1 46 69 A K T 3 S+ 0 0 54 -7,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.754 82.9 72.4 -30.1 -49.4 -3.8 -52.2 22.6 47 70 A T < + 0 0 20 -3,-2.5 2,-0.2 -6,-0.4 -1,-0.1 -0.671 69.4 94.7 -90.2 102.5 -3.1 -54.5 19.6 48 71 A R + 0 0 150 -2,-0.9 850,-0.2 848,-0.1 3,-0.1 -0.817 65.1 41.0 180.0 146.3 -6.2 -56.5 18.4 49 72 A G S S+ 0 0 21 1,-0.3 90,-0.4 -2,-0.2 2,-0.2 0.180 81.8 139.4 92.6 -12.9 -9.0 -56.3 15.9 50 73 A I - 0 0 59 88,-0.1 2,-0.4 86,-0.1 -1,-0.3 -0.445 30.9-174.0 -74.0 131.9 -6.3 -55.0 13.5 51 74 A E E -C 137 0B 122 86,-2.5 86,-2.7 -2,-0.2 2,-1.2 -0.984 29.4-131.9-135.8 135.5 -6.3 -56.2 9.9 52 75 A W E +C 136 0B 54 -2,-0.4 2,-0.4 84,-0.2 82,-0.1 -0.720 41.4 170.9 -85.5 91.4 -4.1 -55.8 6.9 53 76 A K E -C 135 0B 55 82,-1.9 82,-1.5 -2,-1.2 -2,-0.0 -0.880 28.5-132.2-106.6 133.9 -6.6 -54.8 4.2 54 77 A R >> - 0 0 16 -2,-0.4 3,-1.6 80,-0.2 4,-0.8 -0.402 30.0-107.7 -73.0 157.8 -5.7 -53.7 0.7 55 78 A P T 34 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.805 120.0 62.2 -54.8 -34.0 -7.4 -50.5 -0.7 56 79 A T T 34 S+ 0 0 69 1,-0.2 3,-0.3 2,-0.1 52,-0.0 0.739 103.3 52.0 -59.1 -24.9 -9.4 -52.7 -3.0 57 80 A E T <4 S+ 0 0 101 -3,-1.6 -1,-0.2 1,-0.2 3,-0.1 0.723 116.7 30.1 -94.0 -25.9 -11.0 -54.3 0.0 58 81 A I S < S+ 0 0 64 -4,-0.8 2,-0.2 -3,-0.4 -1,-0.2 0.048 121.1 47.2-121.5 24.4 -12.3 -51.4 2.1 59 82 A C - 0 0 20 -4,-0.3 -1,-0.2 -3,-0.3 92,-0.0 -0.793 62.3-149.7-175.3 109.5 -13.0 -49.0 -0.8 60 83 A A S S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 91,-0.0 0.885 98.9 42.7 -55.2 -41.9 -14.9 -49.5 -4.1 61 84 A D S S- 0 0 112 -6,-0.0 2,-0.8 2,-0.0 -1,-0.3 -0.724 76.9-168.6-111.1 80.0 -12.8 -46.8 -5.8 62 85 A P + 0 0 15 0, 0.0 2,-0.2 0, 0.0 90,-0.1 -0.591 15.3 176.8 -76.1 110.9 -9.1 -47.3 -4.8 63 86 A Q B -e 152 0C 69 88,-2.3 90,-0.6 -2,-0.8 3,-0.1 -0.683 29.8-155.0-105.8 163.0 -7.2 -44.3 -6.0 64 87 A F S S+ 0 0 3 1,-0.5 90,-1.7 -2,-0.2 89,-0.6 0.817 83.3 2.6 -98.8 -60.5 -3.6 -43.3 -5.5 65 88 A I + 0 0 50 41,-0.3 -1,-0.5 39,-0.1 2,-0.3 -0.962 64.6 174.0-125.7 150.1 -3.9 -39.6 -5.8 66 89 A I S S+ 0 0 74 2,-0.6 4,-0.2 -2,-0.3 83,-0.1 -0.920 72.4 10.7-155.8 125.6 -7.0 -37.4 -6.4 67 90 A G S S- 0 0 64 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.921 129.5 -60.2 67.8 45.8 -7.2 -33.6 -6.4 68 91 A G - 0 0 37 1,-0.2 2,-1.4 -3,-0.1 -2,-0.6 0.285 67.1 -79.4 65.1 158.6 -3.4 -33.5 -6.5 69 92 A A S S+ 0 0 13 -4,-0.1 2,-0.2 23,-0.0 -1,-0.2 -0.769 78.4 161.3 -87.3 89.2 -1.2 -34.9 -3.8 70 93 A T > - 0 0 45 -2,-1.4 3,-1.3 -4,-0.2 4,-0.3 -0.483 56.0 -95.1-108.3 179.8 -1.8 -32.0 -1.5 71 94 A R T 3 S+ 0 0 51 1,-0.3 3,-0.3 21,-0.2 18,-0.1 0.543 114.2 69.1 -74.5 -9.3 -1.4 -31.2 2.2 72 95 A T T 3 S+ 0 0 61 1,-0.2 -1,-0.3 17,-0.0 17,-0.0 0.576 88.4 68.1 -84.4 -5.7 -5.1 -32.0 3.0 73 96 A D S < S+ 0 0 4 -3,-1.3 2,-0.7 74,-0.2 -1,-0.2 0.791 83.5 80.5 -77.3 -30.6 -4.4 -35.6 2.3 74 97 A I + 0 0 0 -4,-0.3 2,-0.3 -3,-0.3 73,-0.1 -0.722 53.4 156.3 -89.7 114.5 -2.2 -36.1 5.3 75 98 A C B -F 146 0D 13 71,-0.7 71,-1.2 -2,-0.7 189,-0.2 -0.976 42.2-106.9-143.3 124.5 -4.1 -36.6 8.6 76 99 A Q - 0 0 1 187,-3.8 2,-0.1 -2,-0.3 4,-0.1 -0.103 30.1-162.4 -58.2 136.4 -2.7 -38.3 11.7 77 100 A G - 0 0 0 2,-0.1 2,-0.6 814,-0.0 67,-0.3 -0.228 52.0 -55.1 -98.5-159.9 -3.7 -41.7 12.8 78 101 A A S S+ 0 0 4 65,-2.1 2,-0.3 813,-0.2 66,-0.1 0.225 107.0 85.9 -70.2 16.6 -3.4 -43.5 16.2 79 102 A L S S- 0 0 14 -2,-0.6 2,-1.2 64,-0.2 -2,-0.1 -0.841 80.2-119.6-125.2 154.6 0.4 -43.0 16.4 80 103 A G S S+ 0 0 2 -2,-0.3 94,-3.4 1,-0.2 3,-0.3 -0.348 73.4 116.3 -89.0 53.0 2.8 -40.3 17.6 81 104 A D > + 0 0 0 -2,-1.2 4,-2.4 92,-0.2 -1,-0.2 -0.213 25.4 127.7-110.0 40.2 4.5 -39.7 14.2 82 105 A S H > + 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.899 67.2 63.5 -55.9 -41.6 3.4 -36.1 13.9 83 106 A W H > S+ 0 0 0 797,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.920 110.4 35.4 -49.4 -54.0 7.0 -35.1 13.3 84 107 A L H > S+ 0 0 1 88,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 118.1 52.8 -67.9 -47.2 7.2 -37.1 10.1 85 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.858 107.0 50.6 -58.2 -43.6 3.6 -36.4 9.1 86 109 A A H X S+ 0 0 0 -4,-3.6 4,-1.9 2,-0.2 -1,-0.2 0.910 108.2 56.1 -59.3 -41.2 4.1 -32.6 9.5 87 110 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.905 107.2 48.0 -55.2 -46.9 7.1 -33.1 7.3 88 111 A I H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.6 0.916 107.5 55.5 -62.0 -44.5 5.0 -34.7 4.6 89 112 A A H 3< S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.882 111.1 43.6 -57.8 -41.6 2.4 -31.9 4.8 90 113 A S H >< S+ 0 0 3 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.624 104.7 66.5 -79.6 -16.2 5.0 -29.3 4.1 91 114 A L H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.6 7,-0.3 0.900 91.5 61.6 -66.0 -39.1 6.5 -31.4 1.4 92 115 A T T 3< S+ 0 0 13 -4,-1.4 -1,-0.2 1,-0.3 -21,-0.2 0.421 86.0 74.9 -75.0 1.9 3.4 -31.1 -0.8 93 116 A L T < S+ 0 0 61 -3,-0.8 2,-0.6 1,-0.1 -1,-0.3 0.840 92.8 57.0 -81.1 -35.7 3.9 -27.4 -1.0 94 117 A N S <> S- 0 0 25 -3,-1.3 4,-0.7 -4,-0.5 3,-0.2 -0.871 73.4-169.1 -85.9 123.2 6.7 -27.9 -3.4 95 118 A E H >> S+ 0 0 168 -2,-0.6 4,-1.7 1,-0.2 3,-0.5 0.973 79.2 50.9 -70.5 -58.0 5.3 -30.0 -6.3 96 119 A E H 34 S+ 0 0 144 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.354 110.3 47.3 -77.7 4.8 8.5 -30.9 -8.1 97 120 A I H 3> S+ 0 0 32 -6,-0.2 4,-1.4 -3,-0.2 -1,-0.3 0.642 103.8 60.7-101.6 -33.7 10.4 -32.3 -5.1 98 121 A L H - 0 0 22 0, 0.0 3,-1.3 0, 0.0 14,-0.1 -0.634 21.5-163.2 -65.2 95.4 6.4 -41.3 -8.3 104 127 A L T 3 S+ 0 0 84 -2,-1.3 -39,-0.1 1,-0.3 -40,-0.1 0.640 70.7 76.5 -65.2 -18.2 2.9 -39.8 -8.9 105 128 A D T 3 + 0 0 136 -41,-0.1 -1,-0.3 -3,-0.1 -41,-0.0 0.443 66.8 118.3 -80.9 0.5 2.0 -41.9 -12.0 106 129 A Q < + 0 0 15 -3,-1.3 -41,-0.3 11,-0.1 2,-0.2 -0.267 37.5 167.2 -67.4 155.2 1.1 -45.1 -10.0 107 130 A S - 0 0 42 -43,-0.1 -44,-0.1 4,-0.1 -1,-0.1 -0.678 48.6-125.9-146.0-171.1 -2.4 -46.5 -10.1 108 131 A F S S+ 0 0 21 -2,-0.2 4,-0.2 -46,-0.1 -45,-0.1 0.307 108.1 51.7-121.7 -5.1 -4.6 -49.4 -9.3 109 132 A Q S S+ 0 0 114 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.681 95.9 65.8-110.3 -28.5 -5.8 -49.6 -12.9 110 133 A E S S- 0 0 149 1,-0.2 2,-1.7 0, 0.0 -4,-0.0 0.242 121.3 -36.3 -73.2-154.8 -2.7 -49.7 -15.1 111 134 A N S S+ 0 0 91 2,-0.0 2,-0.2 -94,-0.0 -1,-0.2 -0.583 91.0 169.0 -71.6 92.0 -0.3 -52.6 -15.0 112 135 A Y + 0 0 50 -2,-1.7 -4,-0.1 -4,-0.2 -96,-0.0 -0.639 29.8 159.2-111.9 160.6 -0.8 -53.1 -11.3 113 136 A A - 0 0 6 2,-0.3 -90,-1.5 -2,-0.2 -1,-0.1 0.449 64.4 -89.2-154.2 -29.2 0.1 -55.9 -8.8 114 137 A G S S+ 0 0 0 1,-0.6 19,-1.8 -92,-0.2 20,-0.1 0.122 90.7 110.2 126.6 -20.0 0.2 -54.6 -5.2 115 138 A I E +B 132 0A 7 17,-0.2 -1,-0.6 18,-0.1 -2,-0.3 -0.476 42.5 178.0 -79.4 156.0 3.7 -53.4 -4.9 116 139 A F E -B 131 0A 2 15,-1.5 15,-1.1 -2,-0.1 2,-0.3 -0.922 11.7-143.8-145.5 171.5 4.5 -49.7 -4.7 117 140 A H 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30 -71,-1.2 -71,-0.7 -73,-0.2 -1,-0.1 -0.954 19.5 -99.5-173.4 155.1 -5.3 -41.3 6.2 147 170 A S - 0 0 8 5,-0.6 -74,-0.2 -2,-0.3 -73,-0.1 -0.150 29.8-109.8 -82.2 171.2 -6.6 -39.0 3.5 148 171 A A S S+ 0 0 64 1,-0.2 -75,-0.1 2,-0.0 -1,-0.1 0.911 117.6 31.5 -59.6 -47.7 -9.1 -36.3 3.4 149 172 A E S S- 0 0 142 -83,-0.1 -1,-0.2 1,-0.0 -76,-0.1 0.453 99.5-127.6-105.8 4.0 -11.5 -38.3 1.2 150 173 A G S S+ 0 0 45 2,-0.2 -2,-0.0 1,-0.1 3,-0.0 0.491 96.7 67.1 75.8 2.8 -10.9 -41.9 2.4 151 174 A S S S+ 0 0 27 -85,-0.1 -88,-2.3 -89,-0.0 2,-0.4 0.058 76.5 96.1-134.7 19.2 -10.2 -43.7 -0.9 152 175 A E B +e 63 0C 5 -90,-0.1 -5,-0.6 1,-0.1 -88,-0.2 -0.914 48.3 172.1 -99.1 137.1 -7.0 -41.8 -1.5 153 176 A F >> + 0 0 2 -90,-0.6 4,-1.7 -89,-0.6 3,-0.7 0.556 42.6 97.9-127.7 -13.7 -4.1 -43.9 -0.3 154 177 A W H >> S+ 0 0 0 -90,-1.7 4,-2.3 1,-0.3 3,-0.7 0.908 86.5 50.2 -52.1 -54.1 -0.7 -42.5 -1.3 155 178 A S H 3> S+ 0 0 0 1,-0.3 4,-1.6 -91,-0.2 -1,-0.3 0.781 109.5 51.9 -59.1 -32.3 0.0 -40.8 2.1 156 179 A A H <> S+ 0 0 2 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.837 110.5 47.7 -71.9 -34.3 -0.8 -44.0 4.0 157 180 A L H < S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.2 5,-0.5 0.874 105.5 58.6 -69.7 -38.8 8.1 -47.6 8.9 164 187 A K H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.900 105.1 48.1 -58.0 -44.6 9.8 -50.3 6.7 165 188 A I T 3< S+ 0 0 4 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.730 116.7 46.6 -67.1 -19.1 13.0 -48.4 6.7 166 189 A N T < S- 0 0 7 -3,-0.6 2,-0.5 -4,-0.4 -1,-0.2 0.212 115.3-110.3-110.2 13.6 12.6 -48.0 10.5 167 190 A G S < S- 0 0 16 -3,-1.2 2,-0.3 -4,-0.2 -3,-0.2 -0.131 81.6 -7.7 90.1 -41.4 11.7 -51.6 11.4 168 191 A C S > S- 0 0 1 -2,-0.5 4,-0.6 -5,-0.5 3,-0.3 -0.990 72.0 -90.3-174.7 167.9 8.0 -51.0 12.3 169 192 A Y T >4 S+ 0 0 1 -135,-0.6 3,-2.9 -2,-0.3 4,-0.2 0.986 116.2 55.2 -54.5 -62.7 5.2 -48.6 12.9 170 193 A E G >4 S+ 0 0 13 -135,-3.6 3,-1.5 1,-0.3 -1,-0.2 0.739 97.8 65.1 -49.7 -28.6 5.7 -48.2 16.7 171 194 A A G 34 S+ 0 0 3 -3,-0.3 -1,-0.3 -136,-0.3 -2,-0.2 0.763 87.7 68.7 -66.8 -23.0 9.4 -47.1 16.1 172 195 A L G << S+ 0 0 0 -3,-2.9 2,-0.9 -4,-0.6 -1,-0.3 0.419 71.6 130.0 -74.6 4.9 8.1 -44.0 14.3 173 196 A S S < S- 0 0 24 -3,-1.5 -92,-0.2 -4,-0.2 709,-0.1 -0.477 71.0 -27.4 -71.7 101.1 6.9 -42.9 17.7 174 197 A G S S+ 0 0 2 -94,-3.4 2,-0.3 -2,-0.9 707,-0.2 0.463 73.0 124.6 73.0 148.8 8.2 -39.3 18.3 175 198 A G B -G 880 0E 6 705,-0.8 705,-1.2 703,-0.1 2,-0.3 -0.965 57.6 -49.0 161.3-161.7 11.1 -37.3 17.0 176 199 A A >> - 0 0 5 -2,-0.3 3,-0.8 703,-0.1 4,-0.8 -0.765 35.9-129.5-100.9 148.6 11.9 -34.0 15.2 177 200 A T H >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.868 106.7 65.0 -60.1 -38.0 10.4 -32.8 12.0 178 201 A T H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.791 91.9 64.3 -60.3 -24.4 13.8 -32.1 10.4 179 202 A E H <> S+ 0 0 10 -3,-0.8 4,-1.3 2,-0.2 -1,-0.3 0.941 110.1 39.4 -57.2 -48.2 14.4 -35.9 10.6 180 203 A G H X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.8 0.887 111.9 42.9 -47.2 -48.9 12.5 -33.0 6.1 182 205 A E H 3X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.3 3,-0.4 0.838 105.5 61.0 -75.2 -34.6 16.0 -34.3 5.4 183 206 A D H 3< S+ 0 0 0 -4,-1.3 -62,-3.6 -5,-0.3 -1,-0.3 0.659 113.7 40.2 -65.2 -13.7 14.9 -37.8 4.6 184 207 A F H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.579 133.3 17.7-103.2 -14.9 12.9 -36.1 1.8 185 208 A T H < S- 0 0 20 -4,-0.8 -3,-0.2 -3,-0.4 -2,-0.2 0.656 81.0-128.6-130.4 -34.0 15.4 -33.6 0.6 186 209 A G < + 0 0 16 -4,-2.7 -4,-0.1 -5,-0.2 -3,-0.1 0.755 64.9 155.3 73.4 25.7 18.9 -34.3 1.8 187 210 A G - 0 0 2 -6,-0.2 2,-0.7 1,-0.1 132,-0.2 -0.170 51.2 -96.5 -92.9 176.8 18.7 -30.7 2.9 188 211 A I E -H 318 0F 3 130,-2.8 130,-2.0 132,-0.2 2,-0.8 -0.819 32.9-144.5-105.6 109.2 20.4 -28.5 5.5 189 212 A A E -H 317 0F 9 -2,-0.7 2,-0.4 128,-0.2 128,-0.2 -0.603 16.7-174.6 -85.6 105.7 18.4 -28.1 8.8 190 213 A E E -H 316 0F 23 126,-1.8 126,-2.0 -2,-0.8 2,-0.3 -0.787 11.3-156.7 -94.5 138.9 18.7 -24.7 10.4 191 214 A W E -H 315 0F 72 -2,-0.4 2,-0.3 124,-0.2 124,-0.2 -0.760 10.2-165.8-117.3 163.6 17.0 -24.2 13.8 192 215 A Y E -H 314 0F 36 122,-1.0 122,-1.6 -2,-0.3 2,-0.5 -0.936 18.8-138.9-151.9 119.9 15.7 -21.3 15.8 193 216 A E E > -H 313 0F 108 -2,-0.3 3,-1.1 3,-0.2 120,-0.2 -0.723 17.8-146.2 -69.0 123.2 14.7 -20.9 19.4 194 217 A L T 3 S+ 0 0 7 118,-2.6 119,-0.1 -2,-0.5 -1,-0.1 0.273 96.7 64.6 -81.2 11.3 11.5 -18.8 19.4 195 218 A R T 3 S+ 0 0 163 117,-0.2 -1,-0.3 1,-0.1 118,-0.1 0.676 110.9 36.1 -90.0 -28.1 12.6 -17.2 22.6 196 219 A K S < S- 0 0 155 -3,-1.1 -3,-0.2 2,-0.0 -1,-0.1 -0.452 81.0-178.7-127.2 58.4 15.6 -15.6 20.8 197 220 A P - 0 0 59 0, 0.0 -3,-0.1 0, 0.0 3,-0.0 -0.142 26.2-124.9 -60.2 152.0 14.7 -14.6 17.3 198 221 A P > - 0 0 34 0, 0.0 3,-1.4 0, 0.0 -6,-0.0 -0.548 40.4 -95.6 -82.0 164.8 17.2 -13.1 14.9 199 222 A P T > S+ 0 0 130 0, 0.0 2,-0.9 0, 0.0 3,-0.5 0.936 117.7 34.7 -50.1 -68.8 16.0 -9.7 13.4 200 223 A N T 3> S+ 0 0 75 1,-0.2 4,-2.4 2,-0.1 5,-0.1 -0.049 73.9 133.2 -85.1 38.2 14.4 -10.7 10.1 201 224 A L H X> S+ 0 0 2 -3,-1.4 4,-2.4 -2,-0.9 3,-0.5 0.943 76.7 48.1 -51.4 -50.5 13.0 -14.0 11.3 202 225 A F H <> S+ 0 0 18 -3,-0.5 4,-1.6 1,-0.3 -1,-0.3 0.888 112.8 46.9 -59.5 -41.1 9.7 -13.1 9.7 203 226 A K H 3> S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.706 108.8 57.8 -72.3 -19.8 11.5 -12.1 6.5 204 227 A I H S+ 0 0 0 -4,-3.6 5,-2.2 1,-0.2 -2,-0.2 0.928 112.7 46.4 -50.7 -58.9 12.7 -19.7 3.0 209 232 A L H ><5S+ 0 0 41 -4,-3.1 3,-1.4 -5,-0.2 -1,-0.2 0.901 115.6 46.1 -52.2 -48.9 9.2 -20.4 1.8 210 233 A E H 3<5S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.951 108.0 57.2 -56.0 -51.1 9.9 -18.7 -1.5 211 234 A K T 3<5S- 0 0 32 -4,-4.0 -1,-0.3 -5,-0.2 108,-0.3 0.396 118.4-116.1 -62.7 2.8 13.2 -20.5 -1.8 212 235 A G T < 5 + 0 0 17 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.853 65.0 147.6 60.5 39.0 11.2 -23.7 -1.6 213 236 A S < - 0 0 11 -5,-2.2 2,-0.4 -6,-0.2 105,-0.3 -0.272 49.0-103.3 -87.2-177.8 12.7 -24.8 1.7 214 237 A L E -I 317 0F 6 103,-3.8 103,-4.0 -2,-0.1 2,-0.3 -0.939 35.2-169.6-118.3 141.3 10.7 -26.8 4.4 215 238 A L E +I 316 0F 2 27,-0.4 27,-0.5 -2,-0.4 2,-0.3 -0.958 14.4 149.5-135.7 141.9 9.3 -25.4 7.6 216 239 A G E -I 315 0F 0 99,-2.2 99,-2.2 -2,-0.3 2,-0.3 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-81.0 18.3 902 212 C A T 3 + 0 0 43 1,-0.2 3,-0.1 2,-0.1 -211,-0.1 0.221 360.0 10.9 11.3 -68.4 16.4 -78.0 17.0 903 213 C I T 3> S+ 0 0 26 1,-0.1 4,-1.0 2,-0.1 3,-0.3 0.292 98.1 87.2-121.5 8.8 18.7 -79.4 14.2 904 214 C D H <> S+ 0 0 66 -3,-2.0 4,-1.9 1,-0.2 -1,-0.1 0.686 81.4 65.1 -89.3 -17.5 17.8 -83.0 13.3 905 215 C A H 4 S+ 0 0 79 -4,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.643 103.2 51.5 -73.8 -16.7 15.2 -82.1 10.7 906 216 C L H >4 S+ 0 0 13 -3,-0.3 3,-1.5 2,-0.2 4,-0.3 0.856 104.4 54.4 -80.2 -41.2 18.2 -80.7 8.8 907 217 C S H >X S+ 0 0 9 -4,-1.0 3,-2.8 1,-0.3 4,-0.9 0.909 94.9 71.4 -55.7 -44.1 20.1 -84.0 9.2 908 218 C S T 3< S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.761 89.0 62.5 -36.1 -39.0 17.0 -85.6 7.6 909 219 C D T <4 S+ 0 0 57 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.706 103.2 47.7 -67.4 -23.6 18.1 -83.9 4.3 910 220 C F T <4 0 0 18 -3,-2.8 -2,-0.2 -4,-0.3 -1,-0.1 0.975 360.0 360.0 -81.6 -65.7 21.4 -85.8 4.1 911 221 C T < 0 0 130 -4,-0.9 -3,-0.1 -151,-0.0 -4,-0.1 0.227 360.0 360.0-166.0 360.0 20.6 -89.5 4.7