==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-AUG-11 2LHI . COMPND 2 MOLECULE: CALMODULIN, SERINE/THREONINE-PROTEIN PHOSPHATASE . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE, SYNTHETIC, . AUTHOR K.OGURA,K.TAKAHASHI,Y.KOBASHIGAWA,R.YOSHIDA,H.ITOH,M.YAZAWA, . 176 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.3 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 . 4 2.3 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 . 1 0.6 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 . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 2 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 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 . 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 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 0 A G 0 0 94 0, 0.0 3,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 56.6 2.1 0.0 -1.2 2 1 A S + 0 0 123 1,-0.2 2,-0.4 73,-0.0 0, 0.0 0.837 360.0 139.0 45.6 37.8 1.6 -3.6 -2.2 3 2 A S - 0 0 45 2,-0.1 -1,-0.2 72,-0.0 2,-0.1 -0.903 39.0-175.4-115.6 142.8 3.8 -4.4 0.7 4 3 A N + 0 0 163 -2,-0.4 2,-0.3 -3,-0.1 -2,-0.0 -0.517 35.5 134.5-134.3 64.4 3.4 -7.2 3.2 5 4 A L - 0 0 56 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.826 45.4-129.4-114.6 153.8 6.2 -6.7 5.8 6 5 A T >> - 0 0 79 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.555 34.3 -98.2 -98.3 164.6 6.0 -6.8 9.6 7 6 A E T 34 S+ 0 0 180 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.844 129.3 51.0 -46.7 -39.0 7.3 -4.2 12.1 8 7 A E T >4 S+ 0 0 78 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.855 104.6 56.1 -68.1 -36.5 10.3 -6.5 12.4 9 8 A Q G X> S+ 0 0 49 -3,-0.8 4,-1.3 1,-0.3 3,-1.3 0.812 98.5 61.5 -64.6 -31.2 10.7 -6.5 8.6 10 9 A I G 3< S+ 0 0 48 -4,-1.8 4,-0.4 1,-0.3 -1,-0.3 0.715 99.0 57.0 -67.1 -20.7 10.9 -2.7 8.7 11 10 A A G <> S+ 0 0 39 -3,-1.1 4,-0.5 -4,-0.4 -1,-0.3 0.584 101.5 60.1 -84.4 -12.4 13.9 -3.2 10.9 12 11 A E H X> S+ 0 0 12 -3,-1.3 3,-2.7 -4,-0.3 4,-1.0 0.981 98.6 49.3 -76.9 -67.1 15.5 -5.2 8.1 13 12 A F H 3X S+ 0 0 15 -4,-1.3 4,-1.2 1,-0.3 -1,-0.2 0.738 98.2 76.3 -44.5 -25.3 15.5 -2.7 5.2 14 13 A K H 3> S+ 0 0 115 -4,-0.4 4,-1.8 1,-0.2 3,-0.4 0.910 95.4 45.8 -53.6 -46.0 17.1 -0.5 7.8 15 14 A E H X S+ 0 0 14 -4,-1.2 4,-2.3 -3,-0.4 3,-2.3 0.892 95.6 59.0 -81.9 -44.8 19.6 1.5 4.1 18 17 A A H 3< S+ 0 0 42 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.782 83.6 86.8 -54.6 -27.3 22.8 2.1 6.0 19 18 A L T 3< S+ 0 0 3 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.838 117.4 2.6 -40.3 -40.5 24.5 0.7 2.9 20 19 A F T <4 S+ 0 0 2 -3,-2.3 2,-0.8 -4,-0.2 -2,-0.2 0.750 110.4 90.9-113.1 -53.5 24.3 4.3 1.7 21 20 A D < + 0 0 2 -4,-2.3 7,-0.1 1,-0.2 -1,-0.1 -0.292 49.3 168.3 -51.9 95.1 22.9 6.3 4.6 22 21 A K S S+ 0 0 105 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.972 78.3 30.3 -75.9 -67.1 26.2 7.2 6.2 23 22 A D S S- 0 0 87 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.603 103.8-134.2 -69.4 -7.3 25.1 9.9 8.6 24 23 A N + 0 0 110 -7,-0.1 4,-0.1 -6,-0.1 -6,-0.1 0.961 54.7 146.9 49.7 62.7 21.8 8.1 8.8 25 24 A N S S- 0 0 89 2,-0.2 -1,-0.1 40,-0.0 3,-0.1 0.703 71.7 -97.7 -97.2 -27.5 19.8 11.3 8.5 26 25 A G S S+ 0 0 17 38,-0.1 2,-0.2 1,-0.1 40,-0.2 0.676 96.7 82.2 112.8 33.5 16.9 9.7 6.5 27 26 A S - 0 0 20 38,-0.2 2,-1.0 39,-0.1 38,-0.2 -0.721 59.8-151.7-168.8 112.2 17.9 10.6 3.0 28 27 A I B -A 64 0A 2 36,-2.3 36,-1.0 -2,-0.2 -7,-0.1 -0.786 23.8-154.8 -92.0 102.6 20.3 8.8 0.7 29 28 A S > - 0 0 19 -2,-1.0 4,-2.9 34,-0.2 5,-0.2 -0.050 29.8-104.3 -66.9 175.1 21.6 11.4 -1.7 30 29 A S H > S+ 0 0 2 32,-0.4 4,-2.3 1,-0.2 5,-0.1 0.788 123.6 54.9 -72.2 -28.9 23.0 10.6 -5.1 31 30 A S H 4 S+ 0 0 87 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.759 115.7 38.5 -74.3 -26.1 26.5 11.2 -3.8 32 31 A E H > S+ 0 0 36 2,-0.2 4,-0.6 3,-0.1 -2,-0.2 0.817 116.9 49.4 -90.7 -38.0 25.8 8.6 -1.1 33 32 A L H >X S+ 0 0 3 -4,-2.9 3,-1.7 1,-0.2 4,-1.4 0.957 113.5 45.0 -65.3 -52.6 23.8 6.2 -3.3 34 33 A A H 3X S+ 0 0 14 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.624 101.0 74.5 -66.0 -12.1 26.3 6.2 -6.0 35 34 A T H 34 S+ 0 0 38 2,-0.2 4,-0.5 3,-0.2 -1,-0.3 0.802 102.3 37.9 -69.6 -30.4 28.8 5.8 -3.2 36 35 A V H XX S+ 0 0 1 -3,-1.7 4,-1.9 -4,-0.6 3,-0.6 0.957 115.2 48.8 -82.8 -64.6 27.7 2.2 -2.8 37 36 A M H >X>S+ 0 0 0 -4,-1.4 5,-2.7 1,-0.3 4,-0.8 0.884 116.6 44.8 -40.4 -53.4 27.1 1.1 -6.4 38 37 A R H ><5S+ 0 0 151 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.839 108.9 57.6 -62.1 -34.3 30.5 2.5 -7.3 39 38 A S H <45S+ 0 0 57 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.775 103.1 53.9 -66.5 -27.0 31.9 0.9 -4.2 40 39 A L H <<5S- 0 0 11 -4,-1.9 -1,-0.3 -3,-0.7 -2,-0.2 0.683 136.2 -89.4 -79.2 -19.7 30.7 -2.4 -5.5 41 40 A G T <<5S+ 0 0 61 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.2 0.352 91.0 122.4 124.1 2.5 32.6 -1.8 -8.7 42 41 A L < - 0 0 56 -5,-2.7 -1,-0.2 -6,-0.2 127,-0.0 -0.091 47.6-154.7 -81.4-174.6 29.9 0.1 -10.6 43 42 A S + 0 0 103 -3,-0.1 2,-0.2 2,-0.0 -9,-0.0 -0.253 17.9 177.4-163.8 61.4 30.0 3.6 -12.0 44 43 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.524 31.4-118.8 -75.0 136.5 26.6 5.2 -12.3 45 44 A S >> - 0 0 67 -2,-0.2 4,-3.3 1,-0.1 3,-0.9 -0.521 16.2-123.6 -76.3 140.3 26.4 8.7 -13.5 46 45 A E H 3> S+ 0 0 117 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.777 113.0 64.1 -51.7 -27.9 25.0 11.3 -11.2 47 46 A A H 3> S+ 0 0 75 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.941 113.4 29.9 -61.7 -49.6 22.6 12.0 -14.1 48 47 A E H <> S+ 0 0 72 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.942 110.2 65.6 -74.8 -51.3 21.1 8.5 -13.8 49 48 A V H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 -1,-0.2 0.791 106.7 49.2 -40.3 -32.2 21.7 8.1 -10.1 50 49 A N H X S+ 0 0 42 -4,-1.2 4,-2.6 -5,-0.3 5,-0.3 0.986 109.3 45.4 -72.4 -63.5 19.2 10.9 -9.9 51 50 A D H < S+ 0 0 91 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.725 118.6 50.8 -52.4 -21.0 16.5 9.5 -12.3 52 51 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 2,-0.2 4,-0.4 0.965 113.1 38.1 -80.3 -62.7 17.2 6.4 -10.3 53 52 A M H 3X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.3 10,-0.2 0.642 117.7 55.2 -63.2 -14.2 16.8 7.7 -6.7 54 53 A N T 3< S+ 0 0 62 -4,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.524 93.3 69.3 -94.0 -10.0 14.0 9.8 -8.1 55 54 A E T <4 S+ 0 0 64 -3,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.594 115.7 24.7 -81.9 -12.7 12.3 6.7 -9.4 56 55 A I T 4 S+ 0 0 14 -4,-0.4 -2,-0.2 -3,-0.2 -3,-0.1 0.682 90.8 112.6-116.4 -41.8 11.5 5.7 -5.9 57 56 A D < - 0 0 14 -4,-1.6 7,-0.1 -5,-0.2 5,-0.0 -0.085 50.9-160.5 -39.0 120.6 11.6 9.0 -4.0 58 57 A V S S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.0 6,-0.1 0.643 95.3 30.9 -81.8 -17.2 8.0 9.5 -2.9 59 58 A D S S- 0 0 87 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.506 101.5-130.1-116.1 -7.9 8.8 13.2 -2.5 60 59 A G + 0 0 43 -7,-0.2 -6,-0.1 3,-0.2 4,-0.1 0.882 54.9 149.5 57.4 41.4 11.4 13.5 -5.2 61 60 A N S S- 0 0 53 2,-0.5 -1,-0.1 1,-0.0 3,-0.1 0.179 72.1-107.5 -89.1 16.1 13.7 15.2 -2.7 62 61 A H S S+ 0 0 67 1,-0.2 -32,-0.4 -9,-0.1 2,-0.3 0.803 94.7 89.2 61.7 29.7 16.6 13.8 -4.6 63 62 A Q S S- 0 0 51 -10,-0.2 2,-0.5 -34,-0.1 -2,-0.5 -0.988 74.0-126.0-155.6 149.6 17.1 11.4 -1.7 64 63 A I B -A 28 0A 4 -36,-1.0 -36,-2.3 -2,-0.3 -38,-0.1 -0.868 26.0-154.9-102.6 129.1 15.9 8.0 -0.5 65 64 A E > - 0 0 88 -2,-0.5 4,-2.2 -38,-0.2 5,-0.2 -0.295 33.5-101.3 -92.0 179.3 14.3 7.8 2.9 66 65 A F T 4 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.2 -39,-0.1 0.603 124.4 46.5 -76.3 -12.4 14.0 4.8 5.2 67 66 A S T > S+ 0 0 70 -41,-0.1 4,-1.6 2,-0.1 -1,-0.2 0.820 114.4 43.8 -95.0 -41.5 10.4 4.4 4.1 68 67 A E H > S+ 0 0 11 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.944 114.7 48.7 -68.7 -50.5 11.0 4.7 0.3 69 68 A F H X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.870 114.1 47.3 -56.9 -39.9 14.0 2.5 0.3 70 69 A L H > S+ 0 0 20 -4,-0.3 4,-0.8 -5,-0.2 -1,-0.2 0.837 110.9 51.3 -70.4 -34.0 12.2 -0.1 2.3 71 70 A A H < S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.648 103.5 62.2 -75.8 -15.9 9.2 0.3 -0.1 72 71 A L H >< S+ 0 0 0 -4,-1.2 3,-2.5 2,-0.2 4,-0.5 0.920 97.2 53.9 -74.0 -46.7 11.6 -0.2 -2.9 73 72 A M H 3< S+ 0 0 11 -4,-1.4 4,-0.4 1,-0.3 3,-0.2 0.789 116.8 39.9 -57.4 -29.2 12.6 -3.7 -1.8 74 73 A S T 3< S+ 0 0 30 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.098 120.1 46.6-106.1 18.8 8.9 -4.5 -1.9 75 74 A R S < S+ 0 0 144 -3,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.142 106.0 57.8-142.4 14.6 8.3 -2.5 -5.0 76 75 A Q S S+ 0 0 17 -4,-0.5 -3,-0.1 -3,-0.2 -2,-0.1 0.759 92.7 52.8-108.7 -75.6 11.2 -3.7 -7.2 77 76 A L + 0 0 26 -4,-0.4 3,-0.0 -5,-0.2 4,-0.0 0.137 55.4 177.2 -53.7 179.4 11.2 -7.5 -7.7 78 77 A K - 0 0 192 -3,-0.0 3,-0.2 0, 0.0 -1,-0.1 0.173 62.4 -12.1-147.7 -84.3 8.1 -9.2 -9.0 79 78 A S S S+ 0 0 98 1,-0.2 2,-2.9 2,-0.1 3,-0.3 0.834 136.1 27.9 -94.5 -87.8 8.1 -12.9 -9.7 80 79 A N S > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.1 -1,-0.2 -0.319 78.2 151.2 -75.5 57.8 11.5 -14.5 -9.6 81 80 A D H > + 0 0 54 -2,-2.9 4,-2.9 2,-0.2 5,-0.4 0.979 68.9 44.9 -52.1 -69.4 12.6 -11.8 -7.2 82 81 A S H > S+ 0 0 45 -3,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.911 113.9 49.6 -38.6 -66.8 15.3 -13.9 -5.5 83 82 A E H > S+ 0 0 128 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.886 113.3 48.2 -39.9 -54.0 16.6 -15.3 -8.8 84 83 A Q H X S+ 0 0 63 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.964 115.7 41.1 -52.6 -61.3 16.8 -11.7 -10.1 85 84 A E H X S+ 0 0 14 -4,-2.9 4,-1.8 1,-0.2 -1,-0.3 0.620 116.3 58.1 -63.3 -11.9 18.5 -10.4 -7.1 86 85 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.4 -2,-0.2 0.970 104.7 42.0 -80.3 -68.1 20.5 -13.6 -7.3 87 86 A L H X S+ 0 0 55 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.851 121.5 47.4 -46.7 -39.0 22.0 -13.4 -10.7 88 87 A E H X S+ 0 0 29 -4,-2.1 4,-1.0 -5,-0.4 -1,-0.2 0.976 115.1 40.7 -67.3 -58.3 22.7 -9.8 -9.9 89 88 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.624 118.3 55.2 -65.3 -12.1 24.2 -10.3 -6.5 90 89 A F H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 111.2 36.6 -84.5 -55.9 25.9 -13.3 -8.1 91 90 A K H < S+ 0 0 146 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.488 119.6 56.2 -75.3 -2.8 27.6 -11.5 -11.0 92 91 A V H < S+ 0 0 22 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.831 112.3 36.4 -94.0 -42.8 28.2 -8.7 -8.6 93 92 A F H < S+ 0 0 0 -4,-1.1 2,-1.2 -5,-0.2 3,-0.2 0.882 101.3 79.5 -77.2 -42.9 29.9 -10.7 -5.9 94 93 A D < + 0 0 16 -4,-2.5 -1,-0.1 1,-0.2 7,-0.1 -0.551 49.8 161.8 -69.4 97.2 31.9 -12.9 -8.3 95 94 A K S S+ 0 0 102 -2,-1.2 -1,-0.2 1,-0.1 6,-0.1 0.754 77.5 45.3 -87.4 -29.1 34.7 -10.6 -9.3 96 95 A N S S- 0 0 110 -3,-0.2 -1,-0.1 4,-0.1 -2,-0.1 0.902 104.8-133.2 -78.1 -44.8 36.8 -13.4 -10.6 97 96 A G + 0 0 55 3,-0.1 4,-0.1 -4,-0.0 -6,-0.1 0.933 59.3 131.6 86.9 77.1 34.0 -15.2 -12.4 98 97 A D S S- 0 0 63 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.181 79.1-105.1-138.1 9.6 34.0 -18.8 -11.6 99 98 A G S S+ 0 0 28 1,-0.1 39,-0.3 -9,-0.1 2,-0.3 0.679 99.8 90.3 70.0 18.2 30.4 -19.3 -10.8 100 99 A L S S- 0 0 44 37,-0.2 2,-1.0 38,-0.1 37,-0.3 -0.885 72.4-141.0-150.0 112.5 31.4 -19.5 -7.1 101 100 A I B -B 136 0B 0 35,-3.3 35,-0.6 -2,-0.3 -7,-0.1 -0.639 28.3-156.7 -77.1 102.7 31.6 -16.5 -4.8 102 101 A S > - 0 0 38 -2,-1.0 4,-1.2 33,-0.2 33,-0.2 -0.026 34.2 -87.1 -69.6 179.4 34.7 -17.2 -2.7 103 102 A A H >> S+ 0 0 11 31,-0.5 4,-2.8 2,-0.2 3,-2.0 0.975 128.4 45.0 -51.7 -66.5 35.4 -15.7 0.7 104 103 A A H 3>>S+ 0 0 46 1,-0.3 4,-1.7 2,-0.3 5,-1.0 0.929 108.8 55.2 -41.3 -67.0 37.0 -12.5 -0.6 105 104 A E H 345S+ 0 0 20 3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.758 120.6 36.5 -39.3 -29.0 34.3 -12.0 -3.3 106 105 A L H 4S+ 0 0 1 -4,-2.8 5,-1.2 1,-0.3 4,-0.9 0.743 110.4 52.1 -64.8 -23.1 30.8 -7.0 2.6 111 110 A T H 3<5S+ 0 0 61 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.612 95.9 68.0 -86.5 -15.3 33.8 -4.6 3.1 112 111 A S T <<5S+ 0 0 24 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.571 109.6 36.5 -78.7 -10.2 32.7 -2.6 0.1 113 112 A I T 45S- 0 0 22 -3,-0.4 -2,-0.2 -4,-0.4 -1,-0.2 0.625 131.0 -88.7-110.9 -26.5 29.7 -1.5 2.1 114 113 A G T <5S+ 0 0 43 -4,-0.9 2,-0.5 1,-0.4 -3,-0.2 -0.028 87.9 123.8 141.0 -30.0 31.4 -1.3 5.5 115 114 A E < - 0 0 61 -5,-1.2 2,-0.7 -6,-0.1 -1,-0.4 -0.487 39.7-169.5 -65.5 115.2 31.0 -4.8 6.8 116 115 A K + 0 0 166 -2,-0.5 2,-0.3 -5,-0.1 -1,-0.1 -0.823 9.3 179.5-111.9 90.3 34.5 -6.0 7.6 117 116 A L - 0 0 28 -2,-0.7 -6,-0.1 -10,-0.2 2,-0.1 -0.711 29.9-112.3 -92.9 141.9 34.2 -9.8 8.3 118 117 A T >> - 0 0 84 -2,-0.3 4,-2.9 1,-0.1 3,-0.6 -0.355 30.0-107.2 -70.8 151.1 37.3 -11.8 9.2 119 118 A D H 3> S+ 0 0 115 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.752 127.7 50.7 -48.2 -24.5 38.6 -14.4 6.8 120 119 A A H 3> S+ 0 0 66 2,-0.2 4,-1.1 3,-0.2 -1,-0.3 0.871 107.4 50.3 -81.0 -41.2 37.2 -16.7 9.4 121 120 A E H <> S+ 0 0 80 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.900 117.0 41.3 -62.8 -42.8 33.8 -15.0 9.5 122 121 A V H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.3 5,-0.2 0.955 112.5 52.2 -69.2 -52.4 33.5 -15.2 5.8 123 122 A D H X S+ 0 0 72 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.736 117.2 43.1 -55.6 -22.1 34.9 -18.7 5.5 124 123 A D H X S+ 0 0 60 -4,-1.1 4,-0.7 2,-0.2 -1,-0.3 0.804 106.5 58.9 -91.3 -36.8 32.2 -19.4 8.1 125 124 A M H >< S+ 0 0 17 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.827 104.1 53.8 -60.9 -33.5 29.5 -17.4 6.4 126 125 A L H >X S+ 0 0 1 -4,-2.4 3,-2.9 1,-0.2 4,-2.3 0.956 92.8 68.0 -65.6 -52.3 29.9 -19.5 3.3 127 126 A R H 3X S+ 0 0 153 -4,-0.8 4,-1.0 1,-0.3 -1,-0.2 0.767 84.9 77.8 -37.2 -31.5 29.4 -22.8 5.2 128 127 A E H << S- 0 0 51 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.903 126.5 -4.5 -46.3 -50.6 25.9 -21.4 5.6 129 128 A V H <4 S+ 0 0 15 -3,-2.9 -2,-0.3 -4,-0.4 -1,-0.3 0.140 126.0 78.5-129.9 13.4 25.1 -22.4 2.1 130 129 A S H >< S- 0 0 1 -4,-2.3 3,-0.8 -6,-0.2 -3,-0.3 0.331 88.3-138.4-103.1 2.9 28.6 -23.6 1.2 131 130 A D T 3< S- 0 0 156 -4,-1.0 -4,-0.1 -5,-0.4 -3,-0.1 0.860 74.1 -53.4 38.2 47.3 28.1 -26.9 3.0 132 131 A G T 3 S+ 0 0 54 -8,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.919 115.5 120.9 56.0 48.2 31.6 -26.4 4.2 133 132 A S S < S- 0 0 87 -3,-0.8 -2,-0.1 2,-0.1 3,-0.1 0.823 72.4-118.3-100.9 -77.8 32.9 -26.0 0.7 134 133 A G S S+ 0 0 22 1,-0.5 -31,-0.5 -4,-0.1 2,-0.3 0.123 82.5 44.8 154.9 -20.2 34.6 -22.6 0.2 135 134 A E - 0 0 57 -5,-0.2 -1,-0.5 -33,-0.2 2,-0.4 -0.928 64.6-136.2-143.1 165.1 32.5 -20.9 -2.5 136 135 A I B -B 101 0B 0 -35,-0.6 -35,-3.3 -2,-0.3 -6,-0.1 -0.993 17.3-160.9-130.3 126.5 28.8 -20.4 -3.3 137 136 A N >> - 0 0 36 -2,-0.4 4,-3.0 -37,-0.3 5,-0.6 -0.279 49.6 -79.0 -93.5-177.7 27.3 -20.7 -6.8 138 137 A I T 45S+ 0 0 57 -39,-0.3 4,-0.1 1,-0.2 -38,-0.1 0.703 136.9 46.8 -54.8 -18.6 24.1 -19.3 -8.2 139 138 A Q T >5S+ 0 0 139 2,-0.1 4,-1.1 3,-0.1 -1,-0.2 0.927 120.8 31.3 -87.3 -57.6 22.6 -22.3 -6.3 140 139 A Q H >>5S+ 0 0 49 2,-0.2 3,-1.2 1,-0.2 4,-0.7 0.963 117.7 55.0 -65.4 -54.6 24.4 -22.0 -3.0 141 140 A F H >X5S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.3 3,-0.7 0.811 110.3 48.9 -48.0 -34.1 24.6 -18.2 -3.0 142 141 A A H 3>> S+ 0 0 187 0, 0.0 4,-0.7 0, 0.0 3,-0.7 0.408 90.5 39.2-144.3 -56.8 19.4 -11.7 12.7 155 455 A R H >> S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.841 102.4 72.2 -72.0 -35.2 20.9 -13.3 9.6 156 456 A K H 34 S+ 0 0 54 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.759 104.6 42.9 -50.7 -24.9 17.9 -12.2 7.5 157 457 A A H <> S+ 0 0 13 -3,-0.7 4,-0.9 2,-0.2 -1,-0.3 0.718 107.8 59.3 -92.0 -26.8 19.4 -8.8 7.9 158 458 A L H << S+ 0 0 31 -4,-0.7 3,-0.3 -3,-0.6 -2,-0.2 0.909 114.7 35.5 -67.2 -43.6 22.9 -10.1 7.2 159 459 A R T >X S+ 0 0 15 -4,-2.9 3,-2.0 1,-0.2 4,-1.3 0.735 105.3 71.6 -80.6 -25.0 21.9 -11.3 3.8 160 460 A N H 3> S+ 0 0 5 -4,-0.5 4,-1.7 -5,-0.5 5,-0.2 0.805 84.2 69.9 -59.4 -29.7 19.5 -8.4 3.4 161 461 A K H 3X S+ 0 0 12 -4,-0.9 4,-1.5 -3,-0.3 -1,-0.3 0.779 103.2 43.4 -58.2 -26.9 22.7 -6.3 3.0 162 462 A I H <> S+ 0 0 5 -3,-2.0 4,-2.4 2,-0.2 5,-0.3 0.781 100.6 69.0 -87.1 -32.1 23.0 -8.1 -0.3 163 463 A L H X S+ 0 0 29 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.896 111.2 33.9 -51.8 -44.3 19.4 -7.8 -1.2 164 464 A A H X>S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-1.1 0.972 112.4 57.2 -75.0 -59.6 20.0 -4.1 -1.6 165 465 A I H <5S+ 0 0 0 -4,-1.5 4,-0.2 -5,-0.2 -2,-0.2 0.785 120.7 35.9 -41.2 -30.9 23.5 -4.2 -3.0 166 466 A A H X5S+ 0 0 0 -4,-2.4 4,-2.4 3,-0.1 -2,-0.2 0.940 123.8 37.7 -86.9 -67.1 21.8 -6.4 -5.6 167 467 A K H >X5S+ 0 0 13 -4,-3.1 4,-2.5 -5,-0.3 3,-1.0 0.954 120.9 46.6 -48.1 -62.7 18.4 -4.8 -6.1 168 468 A V H 3X5S+ 0 0 3 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.885 115.0 48.2 -47.1 -44.7 19.8 -1.3 -5.7 169 469 A S H 34