==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-12 4AP9 . COMPND 2 MOLECULE: PHOSPHOSERINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS ONNURINEUS; . AUTHOR T.-Y.JUNG,Y.-S.KIM,H.-N.SONG,E.WOO . 800 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 4.5 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 . 8 1.0 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 . 51 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 4 6 0 0 7 1 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 12 4 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 . 4 0 0 0 4 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 4 0 4 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 -6 A G 0 0 102 0, 0.0 332,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 68.1 -36.4 -4.8 17.0 2 -5 A A + 0 0 33 1,-0.1 333,-1.8 332,-0.1 2,-0.3 0.078 360.0 55.5 -96.4 23.4 -34.8 -1.9 19.0 3 -4 A X E -a 335 0A 74 331,-0.3 333,-0.2 333,-0.0 -1,-0.1 -0.820 47.6-172.6-164.5 123.1 -31.6 -1.7 17.0 4 -3 A D E -a 336 0A 36 331,-2.5 2,-2.2 -2,-0.3 333,-2.2 -0.943 18.2-153.6-109.9 108.6 -30.4 -1.2 13.4 5 -2 A P > + 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.329 32.4 160.0 -80.8 60.8 -26.6 -1.8 13.2 6 -1 A Q G > + 0 0 1 -2,-2.2 3,-1.7 1,-0.3 332,-0.2 0.782 61.9 64.9 -57.1 -36.2 -26.3 0.5 10.2 7 0 A F G 3 S+ 0 0 75 330,-2.2 -1,-0.3 -3,-0.3 333,-0.1 0.750 101.1 52.6 -62.5 -21.2 -22.6 1.2 10.6 8 1 A X G < S+ 0 0 142 -3,-2.0 -1,-0.3 329,-0.3 -2,-0.2 0.520 88.2 108.0 -90.6 -5.4 -21.9 -2.5 9.9 9 2 A K S < S- 0 0 61 -3,-1.7 87,-0.1 -4,-0.3 86,-0.1 -0.408 76.9-102.5 -82.3 147.7 -23.8 -2.8 6.7 10 3 A K - 0 0 85 85,-0.5 87,-2.6 -2,-0.1 2,-0.5 -0.325 44.9-119.6 -55.6 146.8 -22.5 -3.2 3.1 11 4 A V E -de 97 153B 8 141,-2.5 143,-3.1 85,-0.2 2,-0.7 -0.814 18.3-160.1-105.8 128.8 -22.8 0.1 1.3 12 5 A A E -de 98 154B 0 85,-3.4 87,-3.1 -2,-0.5 2,-0.5 -0.944 15.6-166.5-103.1 108.5 -24.8 0.7 -1.9 13 6 A V E -de 99 155B 0 141,-2.7 143,-2.5 -2,-0.7 2,-0.5 -0.869 1.9-167.5 -98.4 126.3 -23.5 3.9 -3.5 14 7 A I E -de 100 156B 0 85,-2.9 87,-2.8 -2,-0.5 2,-0.8 -0.967 17.0-146.9-115.3 119.6 -25.6 5.4 -6.3 15 8 A D E -d 101 0B 0 141,-2.7 5,-0.2 -2,-0.5 87,-0.2 -0.779 22.7-147.2 -77.8 113.3 -24.3 8.1 -8.6 16 9 A I >>> + 0 0 0 85,-2.7 4,-2.1 -2,-0.8 3,-1.8 0.870 69.4 82.1 -57.9 -49.1 -27.5 10.0 -9.1 17 10 A E B 345S+i 21 0C 8 1,-0.3 143,-0.6 84,-0.3 141,-0.5 -0.396 107.0 6.7 -69.6 126.6 -27.2 11.3 -12.7 18 11 A G T 345S+ 0 0 26 3,-2.8 -1,-0.3 -2,-0.2 141,-0.1 0.456 130.1 57.9 83.7 -0.1 -28.1 8.7 -15.3 19 12 A T T <45S+ 0 0 7 -3,-1.8 -2,-0.2 2,-0.3 -3,-0.2 0.636 121.8 12.2-117.1 -58.7 -29.4 6.3 -12.7 20 13 A L T <5S+ 0 0 8 -4,-2.1 61,-0.4 -5,-0.2 2,-0.3 0.704 133.8 21.5 -94.5 -24.3 -32.1 8.0 -10.7 21 14 A T B < -i 17 0C 12 -5,-1.3 -3,-2.8 2,-0.1 -2,-0.3 -0.992 51.4-151.5-142.1 147.8 -32.7 11.0 -12.9 22 15 A D + 0 0 149 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 0.332 61.7 122.9 -98.7 10.2 -32.1 12.0 -16.5 23 16 A F - 0 0 18 54,-0.1 2,-0.5 1,-0.0 -5,-0.1 -0.516 43.2-167.9 -68.6 131.3 -31.8 15.7 -15.5 24 17 A E >> - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 3,-0.7 -0.875 9.0-160.1-126.4 97.8 -28.4 17.1 -16.5 25 18 A F H 3> S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.812 89.8 49.1 -45.9 -45.9 -27.7 20.5 -14.9 26 19 A W H 3> S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 110.0 50.1 -70.0 -34.4 -25.1 21.7 -17.4 27 20 A R H <> S+ 0 0 54 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.881 112.5 49.6 -67.0 -37.2 -27.2 20.8 -20.5 28 21 A E H X S+ 0 0 19 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.905 109.0 51.2 -66.3 -41.3 -30.0 22.8 -18.8 29 22 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.886 108.7 51.8 -62.0 -36.7 -27.7 25.7 -18.2 30 23 A A H X S+ 0 0 6 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.889 112.0 47.0 -66.6 -36.7 -26.7 25.6 -21.9 31 24 A R H < S+ 0 0 124 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.7 43.6 -69.4 -46.5 -30.4 25.7 -22.9 32 25 A I H < S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.911 123.4 34.9 -67.3 -45.1 -31.3 28.5 -20.5 33 26 A T H < S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.705 97.1-134.4 -83.0 -21.7 -28.3 30.7 -21.2 34 27 A G < + 0 0 54 -4,-1.5 2,-1.3 -5,-0.3 -3,-0.2 0.519 58.5 141.2 75.2 4.4 -28.0 29.8 -24.9 35 28 A K >> - 0 0 97 -6,-0.4 3,-1.5 1,-0.2 4,-0.6 -0.673 31.7-174.3 -81.9 96.0 -24.3 29.4 -24.4 36 29 A R H >> S+ 0 0 219 -2,-1.3 4,-2.2 1,-0.3 3,-0.7 0.812 76.9 74.3 -57.6 -32.5 -23.5 26.3 -26.5 37 30 A E H 3> S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.806 88.4 61.5 -51.0 -32.8 -19.9 26.4 -25.1 38 31 A I H <> S+ 0 0 0 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.933 108.1 40.1 -63.1 -45.4 -21.2 25.0 -21.8 39 32 A E H S+ 0 0 71 -4,-2.6 5,-1.5 1,-0.2 6,-1.3 0.895 113.0 47.3 -63.5 -39.9 -15.2 17.4 -23.9 45 38 A G H ><5S+ 0 0 7 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.935 112.0 48.5 -64.7 -47.2 -15.1 16.5 -20.2 46 39 A L H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 114.4 45.6 -66.1 -30.4 -17.2 13.4 -20.6 47 40 A S H 3<5S- 0 0 68 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.538 111.3-120.1 -91.0 -9.9 -15.1 12.1 -23.5 48 41 A G T <<5S+ 0 0 54 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.605 74.5 130.4 79.1 13.6 -11.9 12.9 -21.8 49 42 A E S - 0 0 150 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.298 39.3-124.1 -60.3 144.5 -9.2 17.2 -18.1 52 45 A W H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 107.7 44.2 -62.0 -47.8 -12.4 16.9 -16.0 53 46 A L H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.894 111.8 54.7 -65.2 -39.5 -11.6 19.6 -13.5 54 47 A D H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.954 112.7 43.1 -55.1 -50.2 -10.5 22.0 -16.2 55 48 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 113.1 52.3 -63.9 -42.6 -13.8 21.5 -18.0 56 49 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.935 110.1 46.6 -60.8 -47.8 -15.8 21.8 -14.9 57 50 A L H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 109.7 54.6 -69.9 -29.1 -14.3 25.1 -13.8 58 51 A K H X S+ 0 0 100 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.884 109.8 47.2 -67.0 -38.8 -14.7 26.5 -17.3 59 52 A R H X S+ 0 0 1 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.923 110.6 52.4 -64.6 -43.9 -18.4 25.6 -17.2 60 53 A V H >< S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.910 107.5 52.9 -58.6 -42.0 -18.6 27.2 -13.7 61 54 A G H >< S+ 0 0 28 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.849 101.7 59.7 -60.3 -38.2 -17.0 30.3 -15.1 62 55 A L H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.599 107.7 44.8 -72.9 -12.6 -19.6 30.6 -17.9 63 56 A I T X< S+ 0 0 4 -3,-1.1 3,-2.2 -4,-0.7 -1,-0.3 0.279 78.1 137.4-111.9 12.0 -22.5 30.8 -15.4 64 57 A R T < S+ 0 0 178 -3,-1.2 68,-0.2 1,-0.2 3,-0.1 -0.318 72.9 21.7 -52.1 133.8 -20.9 33.3 -13.1 65 58 A G T 3 S+ 0 0 37 66,-3.6 -1,-0.2 1,-0.3 67,-0.1 0.211 82.8 144.6 93.5 -14.6 -23.5 35.9 -12.1 66 59 A I < - 0 0 28 -3,-2.2 65,-2.9 65,-0.2 -1,-0.3 -0.297 58.3-101.2 -62.9 140.0 -26.6 33.8 -12.9 67 60 A D B > -J 130 0D 23 63,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.316 18.1-126.6 -65.1 144.2 -29.4 34.6 -10.5 68 61 A E H > S+ 0 0 73 61,-3.2 4,-3.1 1,-0.2 5,-0.2 0.854 110.9 56.8 -54.8 -36.2 -30.1 32.1 -7.6 69 62 A G H > S+ 0 0 31 60,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.911 106.8 46.8 -64.0 -41.5 -33.7 31.9 -8.7 70 63 A T H > S+ 0 0 15 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.898 114.4 49.4 -63.6 -41.8 -32.8 30.8 -12.2 71 64 A F H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.2 0.946 113.8 43.8 -61.8 -52.4 -30.4 28.3 -10.6 72 65 A L H >< S+ 0 0 55 -4,-3.1 3,-1.7 1,-0.2 4,-0.3 0.754 96.5 75.7 -69.8 -26.1 -33.0 26.9 -8.2 73 66 A R H >< S+ 0 0 40 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.802 84.4 68.9 -51.4 -31.6 -35.7 26.8 -10.9 74 67 A T G X< S+ 0 0 5 -3,-1.1 3,-2.7 -4,-0.6 -1,-0.3 0.759 78.6 74.7 -64.9 -24.8 -34.0 23.7 -12.2 75 68 A R G X S+ 0 0 98 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.756 82.2 72.4 -62.7 -18.9 -34.9 21.6 -9.2 76 69 A E G < S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.733 94.3 53.2 -62.3 -21.4 -38.4 21.6 -10.8 77 70 A K G < S+ 0 0 95 -3,-2.7 2,-0.6 -4,-0.2 -1,-0.3 0.386 95.6 82.4 -93.6 2.5 -36.9 19.2 -13.4 78 71 A V < + 0 0 1 -3,-1.6 2,-0.4 -4,-0.2 -57,-0.1 -0.936 57.6 162.2-112.0 117.4 -35.6 16.9 -10.6 79 72 A N - 0 0 109 -2,-0.6 2,-1.0 -59,-0.1 33,-0.0 -0.993 42.6-121.2-138.3 142.2 -38.1 14.4 -9.2 80 73 A V - 0 0 36 -2,-0.4 -59,-0.1 31,-0.1 -2,-0.0 -0.737 39.0-151.8 -79.7 104.9 -37.9 11.2 -7.2 81 74 A S > - 0 0 34 -2,-1.0 4,-2.6 -61,-0.4 5,-0.2 -0.271 25.6-110.0 -74.1 161.1 -39.7 8.7 -9.5 82 75 A P H > S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.914 121.9 50.3 -55.7 -41.9 -41.6 5.7 -8.2 83 76 A E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.910 109.1 49.5 -63.3 -44.9 -38.8 3.5 -9.7 84 77 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 113.0 48.2 -62.2 -40.0 -36.0 5.5 -8.1 85 78 A R H X S+ 0 0 115 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.901 109.9 51.8 -68.2 -37.1 -37.8 5.2 -4.8 86 79 A E H X S+ 0 0 74 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.908 106.3 54.9 -66.0 -40.2 -38.3 1.5 -5.3 87 80 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.971 112.1 42.6 -54.5 -54.4 -34.6 1.0 -6.0 88 81 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.897 115.2 48.2 -64.2 -41.9 -33.6 2.7 -2.7 89 82 A E H X S+ 0 0 97 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.884 113.1 48.6 -66.1 -36.5 -36.3 1.0 -0.6 90 83 A T H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 105.8 57.0 -70.4 -44.1 -35.4 -2.4 -2.0 91 84 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.3 -1,-0.2 0.914 108.1 48.7 -49.0 -47.1 -31.7 -1.9 -1.4 92 85 A R H ><5S+ 0 0 86 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.922 109.0 51.8 -61.2 -44.5 -32.5 -1.3 2.2 93 86 A E H 3<5S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.876 106.3 55.8 -56.1 -38.2 -34.6 -4.5 2.3 94 87 A K T 3<5S- 0 0 38 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.393 127.9-100.1 -81.2 3.6 -31.7 -6.4 0.8 95 88 A G T < 5S+ 0 0 20 -3,-1.8 -85,-0.5 1,-0.3 2,-0.3 0.692 75.9 134.7 92.9 21.0 -29.5 -5.2 3.7 96 89 A F < - 0 0 18 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.739 53.3-134.1 -97.7 147.6 -27.6 -2.2 2.2 97 90 A K E -d 11 0B 9 -87,-2.6 -85,-3.4 -2,-0.3 2,-0.5 -0.888 34.7-135.4 -86.9 133.6 -26.9 1.2 3.7 98 91 A V E -d 12 0B 0 -2,-0.5 19,-2.4 -87,-0.2 20,-1.8 -0.829 23.3-175.9-104.1 124.2 -27.7 3.6 0.7 99 92 A V E -df 13 118B 0 -87,-3.1 -85,-2.9 -2,-0.5 2,-0.5 -0.969 8.9-159.1-120.4 121.8 -25.4 6.5 -0.2 100 93 A L E +df 14 119B 0 18,-2.6 20,-2.3 -2,-0.5 2,-0.3 -0.869 17.7 177.1-102.2 130.8 -26.5 8.9 -2.9 101 94 A I E +df 15 120B 1 -87,-2.8 -85,-2.7 -2,-0.5 2,-0.3 -0.917 10.4 168.4-131.5 156.9 -23.7 10.9 -4.5 102 95 A S E - 0 0 0 18,-1.7 20,-0.4 -2,-0.3 4,-0.1 -0.952 36.0-141.0-158.8 152.5 -23.3 13.4 -7.3 103 96 A G E S+ 0 0 27 -2,-0.3 18,-0.1 18,-0.2 2,-0.1 0.433 86.3 83.9 -87.8 -3.1 -20.7 15.9 -8.7 104 97 A S E S- 0 0 6 1,-0.1 18,-1.7 18,-0.1 2,-0.3 -0.249 96.3 -61.2 -88.1-174.9 -23.6 18.3 -9.3 105 98 A F E >> - f 0 122B 2 16,-0.2 4,-2.2 1,-0.1 3,-0.6 -0.494 25.4-148.6 -81.8 129.5 -25.2 20.7 -6.9 106 99 A E T 34 S+ 0 0 18 16,-2.7 7,-0.1 -2,-0.3 6,-0.1 0.820 100.6 61.9 -56.1 -32.1 -26.9 19.6 -3.7 107 100 A E T 34 S+ 0 0 51 15,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.868 110.4 37.7 -67.2 -37.2 -29.2 22.7 -4.1 108 101 A V T <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.0 50.4 -81.3 -32.8 -30.5 21.3 -7.4 109 102 A L S >< S+ 0 0 2 -4,-2.2 3,-2.4 1,-0.2 4,-0.3 0.215 73.4 124.1 -93.1 17.3 -30.6 17.7 -6.3 110 103 A E G > + 0 0 75 -3,-0.4 3,-2.1 1,-0.3 4,-0.4 0.797 59.0 69.0 -47.4 -37.1 -32.5 18.6 -3.1 111 104 A P G 3 S+ 0 0 40 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.804 103.3 45.6 -57.1 -23.8 -35.4 16.2 -3.9 112 105 A F G X> S+ 0 0 0 -3,-2.4 3,-1.2 1,-0.2 4,-0.8 0.435 83.4 103.1 -93.5 -1.3 -32.9 13.3 -3.3 113 106 A K T <4 S+ 0 0 61 -3,-2.1 -1,-0.2 -4,-0.3 -13,-0.1 0.788 93.3 24.8 -58.1 -34.7 -31.5 14.8 -0.1 114 107 A E T 34 S+ 0 0 112 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.305 98.6 91.0-113.6 7.8 -33.4 12.5 2.3 115 108 A L T <4 S+ 0 0 13 -3,-1.2 -2,-0.1 -4,-0.0 -1,-0.1 0.925 88.0 41.8 -72.9 -45.3 -34.0 9.5 0.1 116 109 A G S < S- 0 0 5 -4,-0.8 -17,-0.2 2,-0.1 3,-0.1 -0.167 91.5-106.4 -88.8-175.1 -30.9 7.6 1.0 117 110 A D S S+ 0 0 8 -19,-2.4 2,-0.3 1,-0.3 -18,-0.2 0.787 107.3 17.6 -81.5 -33.9 -29.2 7.0 4.3 118 111 A E E S-f 99 0B 20 -20,-1.8 -18,-2.6 2,-0.0 2,-0.4 -0.979 70.1-163.2-134.6 153.1 -26.4 9.4 3.3 119 112 A F E +f 100 0B 31 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -0.999 10.4 173.1-137.6 134.0 -26.3 12.1 0.7 120 113 A X E +f 101 0B 9 -20,-2.3 -18,-1.7 -2,-0.4 2,-0.3 -0.949 12.7 134.8-146.0 127.6 -23.3 14.0 -0.8 121 114 A A E - 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0 0 143 -2,-0.2 -141,-2.5 17,-0.1 2,-0.4 -0.582 40.8-153.8 -92.2 152.6 -17.8 -3.7 1.2 153 146 A I E -e 11 0B 8 -2,-0.2 17,-2.1 -143,-0.2 18,-1.3 -0.987 16.1-167.0-134.8 129.4 -19.3 -1.5 -1.6 154 147 A L E -eg 12 171B 9 -143,-3.1 -141,-2.7 -2,-0.4 2,-0.4 -0.973 23.5-162.5-104.0 123.7 -21.8 -2.0 -4.4 155 148 A A E -eg 13 172B 0 16,-2.5 18,-2.6 -2,-0.5 2,-0.4 -0.878 11.3-174.9-111.3 138.9 -21.6 0.9 -6.8 156 149 A X E +eg 14 173B 0 -143,-2.5 -141,-2.7 -2,-0.4 2,-0.3 -0.992 23.4 134.6-127.6 135.8 -24.2 1.9 -9.3 157 150 A G E - g 0 174B 0 16,-2.1 18,-1.6 -2,-0.4 2,-0.2 -0.988 29.8-152.6-168.0 175.7 -23.8 4.7 -11.8 158 151 A D > - 0 0 32 -141,-0.5 3,-3.5 -2,-0.3 -140,-0.1 -0.568 63.6 -22.8-141.8-155.7 -24.0 6.0 -15.3 159 152 A G T 3 S+ 0 0 29 16,-0.3 -141,-0.1 1,-0.3 17,-0.0 0.530 125.5 56.2 -43.0 -26.1 -22.4 8.6 -17.6 160 153 A Y T 3 S+ 0 0 25 -143,-0.6 -1,-0.3 -145,-0.1 2,-0.2 0.405 97.1 78.7 -86.8 3.2 -21.0 10.8 -14.9 161 154 A A < - 0 0 10 -3,-3.5 2,-0.3 -144,-0.1 -4,-0.0 -0.478 59.8-174.2 -97.6 175.4 -19.1 8.0 -13.3 162 155 A D > - 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0 0 153 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.385 39.5-122.4 -64.4 143.0 -19.6 -0.5 28.9 253 45 B W H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 109.1 47.2 -57.2 -52.0 -21.0 2.3 26.8 254 46 B L H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.883 111.0 55.3 -57.4 -36.9 -23.0 0.3 24.3 255 47 B D H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 110.6 41.8 -63.0 -48.6 -24.4 -1.7 27.1 256 48 B S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.888 113.9 55.1 -68.4 -34.7 -25.8 1.3 29.0 257 49 B L H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.964 109.3 44.4 -61.2 -52.1 -27.0 2.9 25.7 258 50 B L H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.861 111.0 55.2 -64.5 -32.8 -29.1 -0.1 24.7 259 51 B K H X S+ 0 0 103 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.905 108.9 48.0 -65.3 -39.3 -30.5 -0.4 28.2 260 52 B R H X S+ 0 0 2 -4,-2.1 4,-0.9 2,-0.2 3,-0.2 0.941 110.7 50.7 -63.8 -47.3 -31.6 3.2 28.0 261 53 B V H >X S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 4,-0.8 0.926 108.1 54.5 -52.8 -44.8 -33.2 2.6 24.6 262 54 B G H >< S+ 0 0 40 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.880 102.6 57.4 -56.8 -37.9 -34.9 -0.4 26.1 263 55 B L H 3< S+ 0 0 35 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.682 111.3 39.6 -73.4 -18.5 -36.4 1.8 28.8 264 56 B I H X< S+ 0 0 5 -3,-1.0 3,-2.2 -4,-0.9 -1,-0.2 0.384 80.5 131.1-109.8 3.8 -38.2 4.2 26.4 265 57 B R T << S+ 0 0 160 -4,-0.8 68,-0.2 -3,-0.7 3,-0.1 -0.324 73.1 27.4 -53.5 133.8 -39.3 1.6 23.9 266 58 B G T 3 S+ 0 0 39 66,-3.4 -1,-0.3 1,-0.3 67,-0.1 0.216 84.6 139.9 98.3 -13.9 -43.0 2.2 23.2 267 59 B I < - 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