==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-13 4JZS . COMPND 2 MOLECULE: DGTP PYROPHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.PITON,V.LARUE,Y.THILLIER,A.DORLEANS,O.PELLEGRINI,I.LI DE L . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 29.4 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 . 4 1.3 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 0 0 2 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 5 2 3 1 0 0 0 0 0 1 1 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 1 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 1 A M 0 0 59 0, 0.0 238,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.4 44.9 11.4 1.9 2 2 A Y E -Ab 14 239A 14 12,-3.8 12,-3.3 236,-0.2 2,-0.4 -0.910 360.0-172.6-112.7 138.2 45.5 14.8 0.2 3 3 A E E +Ab 13 240A 17 236,-2.4 238,-2.3 -2,-0.4 2,-0.2 -0.989 29.4 122.4-133.2 120.0 48.8 16.6 -0.3 4 4 A F E -A 12 0A 1 8,-2.0 8,-3.2 -2,-0.4 2,-0.3 -0.805 55.0 -79.7-153.8-169.5 48.9 20.2 -1.8 5 5 A K E -A 11 0A 16 6,-0.2 137,-0.5 -2,-0.2 6,-0.2 -0.837 32.1-139.8-111.0 147.7 50.1 23.8 -1.0 6 6 A D > - 0 0 22 4,-2.3 3,-1.2 -2,-0.3 132,-0.1 -0.091 44.2 -80.3 -87.5-167.7 48.5 26.5 1.2 7 7 A Y T 3 S+ 0 0 94 130,-0.3 131,-0.1 1,-0.2 -2,-0.0 0.824 133.4 46.1 -65.1 -34.5 48.2 30.3 0.6 8 8 A Y T 3 S- 0 0 148 2,-0.1 -1,-0.2 129,-0.0 129,-0.0 0.082 122.7-105.3 -97.0 22.2 51.9 30.8 1.7 9 9 A Q S < S+ 0 0 76 -3,-1.2 2,-0.2 1,-0.2 -2,-0.1 0.631 71.9 146.2 61.7 24.2 53.1 27.8 -0.4 10 10 A N - 0 0 45 1,-0.1 -4,-2.3 78,-0.0 2,-0.3 -0.633 57.1-102.5 -86.0 145.8 53.6 25.5 2.6 11 11 A T E -AC 5 89A 36 78,-1.1 78,-3.3 -2,-0.2 2,-0.4 -0.546 37.3-162.7 -73.3 126.8 53.0 21.8 2.1 12 12 A V E -AC 4 88A 0 -8,-3.2 -8,-2.0 -2,-0.3 2,-0.6 -0.958 8.3-162.5-115.3 128.2 49.6 20.6 3.6 13 13 A Q E -AC 3 87A 33 74,-2.7 74,-2.6 -2,-0.4 2,-0.4 -0.964 16.4-172.4-111.3 112.5 48.7 17.0 4.3 14 14 A L E +AC 2 86A 0 -12,-3.3 -12,-3.8 -2,-0.6 2,-0.3 -0.922 9.8 166.8-113.7 135.4 45.0 16.4 4.7 15 15 A S E - C 0 85A 3 70,-2.4 70,-3.0 -2,-0.4 4,-0.1 -0.990 32.0-153.6-144.9 149.0 43.1 13.3 5.8 16 16 A F + 0 0 45 -2,-0.3 2,-0.1 68,-0.3 70,-0.1 0.198 66.8 107.1-106.9 14.4 39.5 12.4 6.9 17 17 A D S S- 0 0 108 68,-0.2 2,-1.0 1,-0.1 -2,-0.1 -0.377 91.2 -76.3 -84.1 165.5 40.7 9.4 9.0 18 18 A D S S- 0 0 125 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.584 94.9 -46.9 -72.6 99.6 40.7 9.4 12.8 19 19 A Q S S+ 0 0 41 -2,-1.0 -1,-0.2 -4,-0.1 -3,-0.1 0.879 74.3 166.4 41.4 67.8 43.8 11.5 13.7 20 20 A P S S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.796 72.2 44.4 -80.7 -26.3 46.5 9.9 11.4 21 21 A F S S- 0 0 43 1,-0.3 2,-0.3 -6,-0.1 -2,-0.0 0.852 128.9 -4.1 -83.7 -39.9 49.2 12.6 11.7 22 22 A S - 0 0 34 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 -0.952 41.6-153.1-158.7 138.5 49.1 13.1 15.5 23 23 A D S S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.527 102.4 51.1 -84.7 -8.8 47.0 11.8 18.5 24 24 A S S S- 0 0 93 36,-0.1 -1,-0.2 37,-0.0 2,-0.2 -0.619 77.6-176.7-125.5 67.3 47.9 15.1 20.3 25 25 A P - 0 0 9 0, 0.0 72,-0.1 0, 0.0 70,-0.0 -0.487 17.8-153.7 -70.0 137.6 47.0 18.0 17.8 26 26 A K S S+ 0 0 131 70,-0.6 29,-3.1 -2,-0.2 2,-0.3 0.586 73.6 43.3 -84.9 -14.8 47.9 21.5 19.1 27 27 A H E -De 54 97A 40 69,-1.6 71,-2.0 27,-0.3 2,-0.3 -0.918 62.9-156.8-133.2 158.7 45.3 23.4 17.0 28 28 A V E -De 53 98A 0 25,-2.7 25,-1.6 -2,-0.3 2,-0.4 -0.941 2.8-162.8-133.1 153.6 41.6 23.0 16.0 29 29 A W E -De 52 99A 1 69,-2.5 71,-2.9 -2,-0.3 2,-0.6 -0.986 11.2-159.1-139.8 121.5 39.4 24.4 13.2 30 30 A V E - e 0 100A 0 21,-3.5 2,-0.7 -2,-0.4 71,-0.2 -0.915 8.1-155.7-113.5 111.2 35.6 24.3 13.5 31 31 A I E - e 0 101A 0 69,-3.0 71,-2.5 -2,-0.6 2,-0.4 -0.736 27.7-157.6 -81.4 110.6 33.3 24.5 10.4 32 32 A C E -Fe 39 102A 0 -2,-0.7 7,-1.9 7,-0.7 2,-0.4 -0.802 19.1-174.4-102.7 140.7 30.0 25.9 11.9 33 33 A R E -Fe 38 103A 35 69,-2.2 71,-3.1 -2,-0.4 2,-0.7 -0.994 5.6-170.4-133.2 119.0 26.5 25.7 10.6 34 34 A F E > S-F 37 0A 73 3,-2.6 3,-1.4 -2,-0.4 2,-0.7 -0.888 70.1 -56.3-112.3 91.3 23.6 27.6 12.3 35 35 A G T 3 S- 0 0 47 -2,-0.7 123,-0.1 69,-0.4 69,-0.0 -0.646 121.1 -18.6 77.2-110.1 20.4 26.2 10.6 36 36 A G T 3 S+ 0 0 34 -2,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.242 124.8 83.6-109.6 7.6 20.9 26.8 6.9 37 37 A K E < S-F 34 0A 86 -3,-1.4 -3,-2.6 87,-0.0 2,-0.4 -0.824 78.7-116.1-114.8 152.1 23.6 29.4 7.3 38 38 A W E -FG 33 122A 10 84,-3.3 84,-2.4 -2,-0.3 2,-0.6 -0.737 24.3-143.5 -87.0 129.2 27.4 29.2 7.8 39 39 A L E +FG 32 121A 0 -7,-1.9 -7,-0.7 -2,-0.4 2,-0.2 -0.869 31.5 163.5 -98.2 117.7 28.7 30.6 11.1 40 40 A L E - G 0 120A 0 80,-3.3 80,-2.9 -2,-0.6 2,-0.3 -0.676 27.6-133.2-121.4 175.7 32.0 32.4 10.7 41 41 A T E -HG 49 119A 0 8,-3.3 8,-2.4 78,-0.2 2,-0.7 -0.903 14.8-128.7-129.1 157.1 34.2 34.8 12.7 42 42 A E E -H 48 0A 46 76,-1.1 75,-2.9 -2,-0.3 6,-0.3 -0.894 22.1-151.2-112.4 98.0 36.0 38.0 11.7 43 43 A H E > -HG 47 116A 5 4,-2.8 4,-1.0 -2,-0.7 73,-0.2 -0.529 18.0-128.6 -68.4 131.0 39.7 37.9 12.8 44 44 A E T 4 S+ 0 0 122 71,-1.9 -1,-0.1 -2,-0.2 72,-0.1 0.708 104.4 22.1 -53.3 -27.2 41.1 41.4 13.5 45 45 A D T 4 S+ 0 0 123 70,-0.3 -1,-0.2 2,-0.1 71,-0.1 0.828 132.4 35.1-104.8 -56.5 44.1 40.7 11.3 46 46 A R T 4 S- 0 0 91 1,-0.2 2,-0.3 90,-0.0 -2,-0.1 0.896 93.2-146.3 -70.0 -50.4 43.2 37.8 8.9 47 47 A G E < +H 43 0A 9 -4,-1.0 -4,-2.8 89,-0.1 88,-0.3 -0.865 54.7 16.8 116.7-149.2 39.5 38.6 8.2 48 48 A Y E S+Hi 42 135A 48 86,-2.1 88,-2.8 -2,-0.3 2,-0.3 -0.459 73.9 139.5 -67.7 124.5 36.5 36.2 7.6 49 49 A E E -H 41 0A 4 -8,-2.4 -8,-3.3 -2,-0.3 3,-0.1 -0.971 55.6 -93.1-157.6 159.1 37.2 32.6 8.7 50 50 A F - 0 0 0 -2,-0.3 -10,-0.2 -10,-0.2 -19,-0.2 -0.474 64.1 -82.0 -72.9 147.8 35.5 29.6 10.4 51 51 A P + 0 0 0 0, 0.0 -21,-3.5 0, 0.0 2,-0.3 -0.187 64.0 152.5 -56.0 146.4 36.2 29.5 14.3 52 52 A G E +D 29 0A 12 16,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.976 12.2 163.6-165.3 166.0 39.5 28.0 15.5 53 53 A G E -D 28 0A 24 -25,-1.6 -25,-2.7 -2,-0.3 2,-0.3 -0.988 37.8 -76.2-175.2 175.8 42.1 28.0 18.2 54 54 A K E -D 27 0A 84 -2,-0.3 2,-0.7 -27,-0.2 -27,-0.3 -0.666 48.2-109.3 -88.7 142.1 45.1 26.5 20.1 55 55 A V - 0 0 31 -29,-3.1 3,-0.1 -2,-0.3 6,-0.1 -0.659 42.4-150.8 -74.3 110.1 44.6 23.5 22.5 56 56 A E > - 0 0 99 -2,-0.7 3,-1.7 1,-0.2 8,-0.1 -0.290 34.9 -60.8 -79.7 166.5 45.2 25.1 25.9 57 57 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.230 121.2 7.0 -56.2 139.0 46.6 23.3 29.0 58 58 A M T 3 S+ 0 0 191 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.460 104.7 119.2 66.7 11.0 44.5 20.3 30.4 59 59 A E < - 0 0 53 -3,-1.7 -1,-0.2 4,-0.0 2,-0.2 -0.724 54.7-143.9-101.9 151.3 42.2 20.5 27.3 60 60 A C > - 0 0 64 -2,-0.3 4,-2.0 -3,-0.1 3,-0.2 -0.601 37.8 -98.4-101.9 168.1 41.5 17.9 24.7 61 61 A A H > S+ 0 0 11 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.851 122.9 53.2 -57.1 -38.0 40.9 18.8 21.0 62 62 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 110.1 46.5 -65.8 -40.9 37.0 18.6 21.4 63 63 A E H > S+ 0 0 106 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.867 111.5 52.1 -68.2 -38.3 37.0 21.0 24.5 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.846 108.9 51.4 -64.9 -36.5 39.3 23.4 22.6 65 65 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.911 111.0 46.3 -66.6 -46.4 36.8 23.3 19.6 66 66 A L H X S+ 0 0 77 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.871 115.4 47.5 -63.9 -40.3 33.8 24.2 21.9 67 67 A R H X S+ 0 0 48 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.913 109.1 52.9 -67.4 -46.1 35.8 27.0 23.6 68 68 A A H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -16,-0.3 0.864 109.3 50.0 -57.1 -41.3 37.1 28.5 20.2 69 69 A V H X>S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 6,-0.9 0.929 116.0 42.0 -62.9 -47.7 33.4 28.7 19.0 70 70 A K H X5S+ 0 0 81 -4,-1.7 4,-1.2 4,-0.2 -2,-0.2 0.910 115.6 48.7 -65.9 -47.8 32.3 30.4 22.2 71 71 A E H <5S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.2 45,-0.2 0.790 124.4 30.3 -63.7 -32.7 35.4 32.8 22.4 72 72 A E H <5S+ 0 0 18 -4,-1.8 46,-0.3 -5,-0.2 -30,-0.3 0.721 138.7 15.3-101.9 -28.3 35.0 33.8 18.7 73 73 A T H <5S- 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.515 87.6-127.0-121.9 -13.9 31.3 33.6 17.9 74 74 A G << + 0 0 0 -4,-1.2 34,-2.8 -5,-0.7 -4,-0.2 0.659 63.2 144.1 70.5 19.7 29.6 33.5 21.4 75 75 A A E - J 0 107A 2 -6,-0.9 2,-0.4 32,-0.3 32,-0.2 -0.553 48.4-137.1 -95.7 154.3 27.8 30.3 20.2 76 76 A R E - J 0 106A 93 30,-2.6 29,-2.1 -2,-0.2 30,-1.2 -0.929 22.7-130.4-110.8 130.4 26.7 27.1 21.8 77 77 A V E - J 0 104A 34 -2,-0.4 27,-0.2 27,-0.2 3,-0.2 -0.699 17.8-172.3 -86.9 129.5 27.2 23.8 20.0 78 78 A K E S+ 0 0 142 25,-3.2 2,-0.3 -2,-0.4 26,-0.2 0.862 82.9 7.0 -82.2 -43.8 24.3 21.3 19.7 79 79 A S E - J 0 103A 41 24,-1.2 24,-2.6 2,-0.0 2,-0.6 -0.960 64.7-162.8-146.9 120.5 26.5 18.5 18.1 80 80 A L E - J 0 102A 34 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.943 16.7-176.0-106.9 116.9 30.3 18.5 17.6 81 81 A K E - J 0 101A 74 20,-3.1 20,-3.2 -2,-0.6 2,-0.3 -0.955 27.5-121.1-119.7 134.9 31.5 15.9 15.1 82 82 A Y E + J 0 100A 47 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.572 32.7 172.0 -71.2 125.5 35.1 15.1 14.1 83 83 A L E - 0 0 11 16,-2.7 2,-0.3 1,-0.4 17,-0.2 0.843 50.8 -60.2-101.0 -51.2 35.5 15.7 10.3 84 84 A G E - J 0 99A 0 15,-1.6 15,-3.2 -66,-0.0 -1,-0.4 -0.919 42.4-104.5-172.1-164.8 39.3 15.2 9.7 85 85 A Q E -CJ 15 98A 0 -70,-3.0 -70,-2.4 13,-0.3 2,-0.3 -0.996 20.4-165.6-148.0 143.8 42.9 16.3 10.4 86 86 A Y E -CJ 14 97A 12 11,-3.0 11,-3.1 -2,-0.3 2,-0.4 -0.975 9.1-151.3-135.7 148.5 45.6 18.3 8.6 87 87 A K E -CJ 13 96A 53 -74,-2.6 -74,-2.7 -2,-0.3 2,-0.6 -0.980 9.0-156.2-118.1 125.5 49.3 18.8 8.9 88 88 A V E -CJ 12 95A 18 7,-2.8 7,-1.9 -2,-0.4 2,-0.8 -0.926 5.0-156.0-105.2 119.0 51.0 22.1 7.7 89 89 A L E +C 11 0A 65 -78,-3.3 -78,-1.1 -2,-0.6 5,-0.2 -0.856 33.0 151.7 -98.4 101.1 54.8 21.8 6.9 90 90 A G - 0 0 33 -2,-0.8 4,-0.1 3,-0.5 -79,-0.1 -0.037 54.5 -85.2-107.1-151.6 56.3 25.2 7.3 91 91 A K S S+ 0 0 205 2,-0.1 3,-0.1 -2,-0.1 -1,-0.0 0.930 115.6 27.8 -88.3 -61.6 59.6 26.9 8.2 92 92 A E S S- 0 0 159 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.912 128.9 -15.7 -71.5 -50.0 59.7 27.1 12.0 93 93 A K - 0 0 135 -5,-0.0 -3,-0.5 2,-0.0 2,-0.4 -0.988 62.5-107.3-157.2 154.9 57.5 24.1 13.1 94 94 A V - 0 0 83 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.722 33.4-153.6 -87.5 132.2 54.9 21.6 11.7 95 95 A I E - J 0 88A 40 -7,-1.9 -7,-2.8 -2,-0.4 2,-0.6 -0.942 5.0-156.6-113.1 128.3 51.3 22.3 12.9 96 96 A V E - J 0 87A 18 -2,-0.5 -69,-1.6 -9,-0.2 -70,-0.6 -0.923 15.1-170.2-105.0 115.0 48.6 19.5 13.2 97 97 A K E -eJ 27 86A 35 -11,-3.1 -11,-3.0 -2,-0.6 2,-0.4 -0.925 14.2-143.5-110.3 131.8 45.1 20.9 13.1 98 98 A N E -eJ 28 85A 0 -71,-2.0 -69,-2.5 -2,-0.4 2,-0.5 -0.784 15.3-142.4 -92.1 130.4 41.9 18.9 13.8 99 99 A I E -eJ 29 84A 0 -15,-3.2 -16,-2.7 -2,-0.4 -15,-1.6 -0.854 23.5-178.9 -96.7 126.1 38.9 19.7 11.7 100 100 A Y E -eJ 30 82A 7 -71,-2.9 -69,-3.0 -2,-0.5 2,-0.5 -0.888 21.9-142.5-121.8 153.8 35.5 19.6 13.4 101 101 A F E -eJ 31 81A 2 -20,-3.2 -20,-3.1 -2,-0.3 2,-0.5 -0.974 19.0-164.6-113.7 128.7 31.9 20.2 12.3 102 102 A A E -eJ 32 80A 0 -71,-2.5 -69,-2.2 -2,-0.5 2,-0.7 -0.972 14.2-152.4-121.7 121.6 29.6 22.1 14.7 103 103 A D E -eJ 33 79A 46 -24,-2.6 -25,-3.2 -2,-0.5 -24,-1.2 -0.835 28.8-136.9 -87.4 110.9 25.8 22.2 14.5 104 104 A I E + J 0 77A 7 -71,-3.1 -69,-0.4 -2,-0.7 -27,-0.2 -0.666 26.6 180.0 -80.3 124.5 25.0 25.5 16.2 105 105 A E E - 0 0 114 -29,-2.1 2,-0.3 -2,-0.4 -28,-0.2 0.885 67.1 -10.9 -84.8 -48.9 22.0 25.5 18.6 106 106 A K E - J 0 76A 90 -30,-1.2 -30,-2.6 2,-0.0 2,-0.5 -0.977 52.4-131.4-152.6 161.2 22.2 29.2 19.7 107 107 A L E - J 0 75A 56 -2,-0.3 -32,-0.3 -32,-0.2 2,-0.3 -0.981 30.4-166.3-118.5 113.5 24.3 32.4 19.6 108 108 A E - 0 0 75 -34,-2.8 2,-0.1 -2,-0.5 -2,-0.0 -0.714 28.2 -94.8-104.3 154.8 24.7 34.2 23.0 109 109 A K - 0 0 206 -2,-0.3 2,-0.4 1,-0.0 -35,-0.1 -0.436 40.0-160.5 -66.8 133.4 25.9 37.7 23.9 110 110 A Q - 0 0 33 -2,-0.1 3,-0.2 1,-0.1 -39,-0.0 -0.967 19.7-153.1-122.7 136.5 29.6 37.9 24.8 111 111 A A S S+ 0 0 117 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.900 90.0 24.1 -70.2 -44.5 31.4 40.7 26.7 112 112 A D - 0 0 93 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.992 55.7-172.4-129.7 122.8 34.8 40.1 25.0 113 113 A Y > - 0 0 55 -2,-0.4 3,-0.7 1,-0.3 5,-0.3 0.266 35.9-144.2 -93.8 10.2 35.3 38.5 21.6 114 114 A F T 3 S- 0 0 99 1,-0.2 -1,-0.3 3,-0.1 -42,-0.1 -0.447 70.0 -9.7 64.2-127.9 39.1 38.3 22.0 115 115 A E T 3 S+ 0 0 109 -2,-0.2 -71,-1.9 -3,-0.1 -70,-0.3 0.002 123.0 84.5 -97.0 32.8 41.0 38.9 18.9 116 116 A T E < S-G 43 0A 11 -3,-0.7 -73,-0.2 -73,-0.2 -3,-0.2 -0.850 76.7-132.2-128.8 156.6 37.9 38.7 16.8 117 117 A K E - 0 0 145 -75,-2.9 -74,-0.1 1,-0.3 -3,-0.1 0.289 64.2-103.5 -91.2 8.7 35.1 41.1 15.8 118 118 A G E - 0 0 1 -46,-0.3 -76,-1.1 -5,-0.3 -1,-0.3 -0.544 63.0 -15.1 103.8-168.3 32.4 38.6 16.7 119 119 A P E -G 41 0A 49 0, 0.0 2,-0.4 0, 0.0 -78,-0.2 -0.482 51.1-166.9 -77.7 143.2 30.0 36.3 14.9 120 120 A V E -G 40 0A 28 -80,-2.9 -80,-3.3 -2,-0.2 2,-0.5 -0.998 7.2-153.0-129.3 124.8 29.5 36.6 11.1 121 121 A L E -G 39 0A 74 -2,-0.4 2,-0.4 -82,-0.2 -82,-0.2 -0.889 10.4-174.8-105.8 127.8 26.6 34.8 9.3 122 122 A F E -G 38 0A 42 -84,-2.4 -84,-3.3 -2,-0.5 3,-0.2 -0.982 21.6-154.0-120.1 127.6 26.7 33.8 5.6 123 123 A H S S- 0 0 138 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.841 90.9 -8.1 -65.3 -33.6 23.7 32.2 3.8 124 124 A E S S- 0 0 126 -87,-0.1 -1,-0.3 -86,-0.1 -87,-0.0 -0.924 84.9-102.2-161.7 139.7 26.3 30.6 1.4 125 125 A L - 0 0 19 -2,-0.3 4,-0.1 -3,-0.2 -3,-0.0 -0.416 46.4-103.6 -65.7 138.4 30.1 31.2 1.1 126 126 A P > - 0 0 36 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.258 19.7-127.0 -65.2 154.1 31.2 33.4 -1.9 127 127 A E T 3 S+ 0 0 158 1,-0.2 2,-0.4 2,-0.1 3,-0.3 0.796 101.9 59.2 -68.2 -35.8 32.7 31.8 -5.1 128 128 A N T >> + 0 0 90 1,-0.2 4,-1.4 2,-0.1 3,-0.8 -0.278 60.2 142.4 -95.3 47.6 35.8 34.0 -5.2 129 129 A L T <4 S+ 0 0 30 -3,-0.6 3,-0.3 -2,-0.4 6,-0.2 0.859 72.8 50.9 -51.9 -47.3 37.3 33.0 -1.7 130 130 A S T 34 S+ 0 0 51 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.757 119.0 37.4 -63.0 -31.7 41.0 33.0 -3.0 131 131 A R T <4 S+ 0 0 193 -3,-0.8 2,-0.8 2,-0.0 -1,-0.2 0.502 89.9 106.3-100.3 -8.9 40.5 36.5 -4.5 132 132 A N >< - 0 0 21 -4,-1.4 3,-1.1 -3,-0.3 -3,-0.0 -0.658 52.5-164.9 -78.0 107.5 38.3 37.9 -1.7 133 133 A K T 3 S+ 0 0 196 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.645 84.7 64.2 -67.4 -18.8 40.5 40.4 0.3 134 134 A K T 3 S+ 0 0 137 -87,-0.1 -86,-2.1 2,-0.1 -1,-0.2 0.679 93.0 81.4 -77.5 -21.4 38.0 40.5 3.2 135 135 A F B < S-i 48 0A 4 -3,-1.1 -86,-0.2 -88,-0.3 2,-0.1 -0.493 84.5-106.3 -89.0 156.4 38.6 36.7 3.9 136 136 A S > - 0 0 0 -88,-2.8 3,-1.3 -2,-0.2 -89,-0.1 -0.427 24.2-119.5 -76.9 154.4 41.4 34.9 5.8 137 137 A F G > S+ 0 0 65 1,-0.2 3,-1.4 2,-0.2 -130,-0.3 0.725 110.3 68.7 -66.9 -22.5 44.2 33.0 4.1 138 138 A I G 3 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.624 100.8 47.6 -72.3 -15.1 43.1 29.8 5.9 139 139 A M G < S+ 0 0 3 -3,-1.3 -1,-0.3 -91,-0.2 -2,-0.2 0.354 98.2 77.5 -98.1 -1.2 40.0 29.8 3.8 140 140 A K S < S+ 0 0 31 -3,-1.4 2,-0.2 -4,-0.1 -2,-0.1 0.125 84.3 61.5-103.6 16.6 42.1 30.4 0.7 141 141 A D S > S- 0 0 26 -3,-0.2 3,-0.6 -135,-0.0 -135,-0.1 -0.649 98.8 -85.6-126.8-175.5 43.4 26.9 -0.0 142 142 A S T 3> S+ 0 0 19 -137,-0.5 4,-1.9 -2,-0.2 5,-0.3 0.575 106.1 85.5 -71.1 -14.2 42.0 23.5 -0.8 143 143 A V H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 93.4 47.1 -51.5 -48.1 41.4 22.5 2.9 144 144 A L H <> S+ 0 0 1 -3,-0.6 4,-2.4 -6,-0.2 5,-0.2 0.954 112.6 43.2 -63.3 -59.6 38.0 24.3 2.8 145 145 A P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.852 117.6 47.7 -59.1 -34.7 36.4 23.0 -0.5 146 146 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 114.0 46.3 -68.5 -46.3 37.6 19.4 0.2 147 147 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.838 112.0 51.2 -64.7 -36.9 36.2 19.5 3.8 148 148 A L H X S+ 0 0 35 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.834 109.6 50.5 -68.6 -35.8 32.9 21.1 2.7 149 149 A K H X S+ 0 0 80 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.878 111.2 47.6 -68.9 -40.9 32.5 18.3 0.0 150 150 A K H X S+ 0 0 69 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.839 111.5 51.3 -68.0 -35.0 33.1 15.6 2.7 151 151 A L H X>S+ 0 0 0 -4,-1.7 5,-0.9 2,-0.2 6,-0.7 0.839 110.8 48.5 -68.3 -36.8 30.6 17.3 5.0 152 152 A K H <5S+ 0 0 165 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.834 114.5 45.9 -70.7 -36.4 28.1 17.3 2.1 153 153 A E H <5S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.721 103.6 63.5 -78.7 -26.7 28.8 13.6 1.5 154 154 A S H <5S- 0 0 49 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.738 101.5-130.1 -69.8 -27.8 28.6 12.6 5.2 155 155 A G T <5S+ 0 0 61 -4,-0.7 -3,-0.1 -3,-0.2 -2,-0.1 0.691 73.8 118.9 81.8 24.0 24.9 13.7 5.4 156 156 A W < + 0 0 83 -5,-0.9 2,-0.8 1,-0.1 -4,-0.1 0.788 57.1 74.8 -86.3 -33.3 25.3 15.9 8.6 157 157 A I 0 0 41 -6,-0.7 -1,-0.1 1,-0.1 -2,-0.1 -0.774 360.0 360.0 -89.3 104.1 24.2 19.1 6.8 158 158 A E 0 0 204 -2,-0.8 -1,-0.1 -123,-0.1 -2,-0.1 0.093 360.0 360.0 50.3 360.0 20.3 19.1 6.4 159 !* 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 0.0 160 1 D M 0 0 123 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 164.6 61.9 25.4 -14.2 161 2 D Y E -K 173 0A 95 12,-3.4 12,-3.2 2,-0.0 2,-0.4 -0.919 360.0-166.3-110.7 132.4 62.1 23.3 -17.4 162 3 D E E +K 172 0A 125 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.984 28.3 123.9-125.6 123.0 61.4 24.8 -20.9 163 4 D F E -K 171 0A 35 8,-2.0 8,-3.3 -2,-0.4 2,-0.3 -0.844 53.1 -88.0-154.6-174.1 60.8 22.7 -24.0 164 5 D K E -K 170 0A 112 -2,-0.2 137,-0.5 6,-0.2 6,-0.2 -0.850 32.2-139.8-111.4 147.5 58.4 22.0 -26.9 165 6 D D > - 0 0 22 4,-2.0 3,-1.3 -2,-0.3 132,-0.1 -0.143 41.9 -81.2 -90.6-169.3 55.4 19.5 -26.9 166 7 D Y T 3 S+ 0 0 123 130,-0.4 131,-0.1 1,-0.3 -2,-0.0 0.788 133.7 48.0 -64.8 -30.7 54.2 17.1 -29.7 167 8 D Y T 3 S- 0 0 150 2,-0.1 -1,-0.3 129,-0.1 129,-0.0 0.228 120.8-110.5 -93.1 10.6 52.3 20.1 -31.4 168 9 D Q < + 0 0 136 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.627 68.6 149.4 64.7 22.8 55.5 22.2 -31.1 169 10 D N - 0 0 49 1,-0.1 -4,-2.0 78,-0.0 2,-0.3 -0.556 56.2-100.9 -80.7 146.9 53.8 24.5 -28.5 170 11 D T E -KL 164 248A 47 78,-1.6 78,-3.4 -6,-0.2 2,-0.4 -0.561 39.6-161.6 -72.8 125.6 56.1 26.1 -25.8 171 12 D V E -KL 163 247A 0 -8,-3.3 -8,-2.0 -2,-0.3 2,-0.5 -0.955 10.9-167.3-115.5 129.2 55.9 24.2 -22.5 172 13 D Q E -KL 162 246A 36 74,-2.4 74,-2.8 -2,-0.4 2,-0.4 -0.981 14.6-171.6-114.0 115.6 57.1 25.7 -19.1 173 14 D L E +KL 161 245A 0 -12,-3.2 -12,-3.4 -2,-0.5 2,-0.3 -0.961 9.4 169.6-118.4 128.2 57.3 23.0 -16.4 174 15 D S E - L 0 244A 13 70,-2.5 70,-3.0 -2,-0.4 2,-0.3 -0.983 19.3-139.2-137.2 145.8 57.9 23.6 -12.6 175 16 D F E S+ L 0 243A 21 -2,-0.3 68,-0.3 68,-0.3 3,-0.1 -0.849 71.2 0.5-114.2 146.3 57.7 21.3 -9.5 176 17 D D S S+ 0 0 72 66,-2.4 2,-0.3 -2,-0.3 -1,-0.2 0.726 115.4 71.1 54.2 30.2 56.4 21.7 -5.9 177 18 D D S S- 0 0 59 -3,-0.2 -1,-0.2 65,-0.1 -3,-0.1 -0.929 76.1-129.2-156.8 167.9 55.3 25.3 -6.5 178 19 D Q + 0 0 36 -2,-0.3 -3,-0.0 1,-0.1 67,-0.0 -0.603 43.0 149.1-127.9 71.3 52.5 27.0 -8.5 179 20 D P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.555 69.1 46.7 -84.8 -11.9 54.2 29.7 -10.6 180 21 D F S S- 0 0 37 1,-0.3 2,-0.3 -6,-0.1 -2,-0.1 0.771 122.3 -5.6 -99.7 -37.0 52.0 29.8 -13.6 181 22 D S - 0 0 33 1,-0.1 -1,-0.3 75,-0.1 75,-0.0 -0.966 33.6-158.1-163.0 147.3 48.5 29.9 -12.0 182 23 D D S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 -52,-0.0 0.597 103.4 46.0 -94.7 -20.0 46.7 29.7 -8.6 183 24 D S S S- 0 0 56 36,-0.1 -1,-0.2 37,-0.0 2,-0.2 -0.744 81.4-172.0-122.6 75.3 43.5 28.7 -10.5 184 25 D P - 0 0 10 0, 0.0 72,-0.1 0, 0.0 70,-0.0 -0.500 17.1-154.9 -74.0 143.3 44.5 26.0 -13.1 185 26 D K S S+ 0 0 144 70,-0.6 29,-3.1 -2,-0.2 2,-0.3 0.611 75.1 46.0 -90.0 -15.7 41.8 25.0 -15.6 186 27 D H E -Mn 213 256A 39 69,-1.6 71,-2.0 27,-0.3 2,-0.3 -0.912 62.6-160.3-129.9 155.5 43.3 21.5 -16.3 187 28 D V E -Mn 212 257A 0 25,-2.6 25,-1.9 -2,-0.3 2,-0.4 -0.979 2.3-162.6-134.7 145.0 44.6 18.5 -14.2 188 29 D W E -Mn 211 258A 1 69,-3.1 71,-2.8 -2,-0.3 2,-0.6 -0.998 9.8-159.0-131.1 123.2 46.9 15.6 -15.1 189 30 D V E - n 0 259A 0 21,-3.4 2,-0.8 -2,-0.4 71,-0.2 -0.911 8.4-156.7-113.0 112.2 47.1 12.5 -12.7 190 31 D I E - n 0 260A 0 69,-3.0 71,-2.7 -2,-0.6 2,-0.4 -0.755 26.8-158.1 -82.9 107.9 50.1 10.1 -12.8 191 32 D C E -On 198 261A 0 -2,-0.8 7,-2.7 7,-0.7 2,-0.4 -0.813 16.8-174.9-100.7 135.2 48.4 6.9 -11.3 192 33 D R E -On 197 262A 39 69,-2.5 71,-3.1 -2,-0.4 2,-0.4 -0.996 0.4-176.1-127.7 127.1 50.2 4.0 -9.6 193 34 D F S S- 0 0 53 3,-3.6 3,-0.4 -2,-0.4 71,-0.1 -0.915 70.6 -33.3-131.4 102.7 48.4 0.8 -8.5 194 35 D G S S- 0 0 64 -2,-0.4 3,-0.1 69,-0.4 -1,-0.1 0.848 126.1 -40.3 55.1 46.9 50.4 -1.9 -6.6 195 36 D G S S+ 0 0 33 1,-0.2 2,-0.3 122,-0.0 -1,-0.2 0.638 122.8 102.4 79.2 18.7 53.7 -1.3 -8.5 196 37 D K S S- 0 0 65 -3,-0.4 -3,-3.6 87,-0.0 2,-0.3 -0.992 74.7-114.8-133.9 139.6 51.9 -0.8 -11.8 197 38 D W E -OP 192 281A 24 84,-2.6 84,-2.7 -2,-0.3 2,-0.6 -0.575 24.9-145.2 -75.3 130.3 51.1 2.4 -13.8 198 39 D L E +OP 191 280A 0 -7,-2.7 -7,-0.7 -2,-0.3 2,-0.2 -0.893 29.2 165.3-102.1 115.1 47.4 3.1 -14.2 199 40 D L E - P 0 279A 0 80,-3.2 80,-3.3 -2,-0.6 2,-0.3 -0.710 26.9-133.1-119.9 170.3 46.5 4.7 -17.6 200 41 D T E -QP 208 278A 0 8,-3.4 8,-2.3 -2,-0.2 2,-0.8 -0.893 15.9-126.9-123.7 153.9 43.3 5.3 -19.5 201 42 D E E -Q 207 0A 50 76,-1.2 75,-2.6 -2,-0.3 6,-0.3 -0.861 23.6-151.9-107.0 96.6 42.6 4.7 -23.2 202 43 D H E > -QP 206 275A 8 4,-2.8 4,-0.9 -2,-0.8 73,-0.3 -0.495 18.5-127.5 -66.8 131.8 41.2 7.9 -24.8 203 44 D E T 4 S+ 0 0 118 71,-2.1 -1,-0.1 -2,-0.2 72,-0.1 0.669 104.2 17.8 -54.7 -24.0 38.8 7.1 -27.8 204 45 D D T 4 S+ 0 0 129 70,-0.3 -1,-0.2 2,-0.1 71,-0.1 0.760 132.4 38.6-112.9 -53.6 40.8 9.5 -30.0 205 46 D R T 4 S- 0 0 83 1,-0.2 2,-0.3 90,-0.1 -2,-0.1 0.884 93.5-147.9 -69.6 -47.7 44.3 10.2 -28.4 206 47 D G E < +Q 202 0A 10 -4,-0.9 -4,-2.8 89,-0.1 2,-0.3 -0.837 53.1 15.5 113.7-149.4 45.0 6.7 -27.0 207 48 D Y E S+Qr 201 294A 47 86,-2.1 88,-2.8 -2,-0.3 2,-0.3 -0.484 74.6 139.9 -68.9 124.9 46.9 5.5 -23.9 208 49 D E E -Q 200 0A 2 -8,-2.3 -8,-3.4 -2,-0.3 3,-0.1 -0.975 56.1 -92.0-158.9 157.7 47.5 8.3 -21.4 209 50 D F - 0 0 0 -2,-0.3 -10,-0.2 -10,-0.2 -19,-0.2 -0.460 66.9 -80.0 -70.4 144.4 47.5 9.0 -17.6 210 51 D P + 0 0 0 0, 0.0 -21,-3.4 0, 0.0 2,-0.3 -0.200 62.5 167.1 -53.0 137.4 44.0 10.2 -16.4 211 52 D G E +M 188 0A 10 16,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.976 6.4 157.0-149.2 157.4 43.3 13.9 -17.0 212 53 D G E -M 187 0A 24 -25,-1.9 -25,-2.6 -2,-0.3 2,-0.2 -0.972 37.5 -81.1-167.6 178.2 40.4 16.4 -17.0 213 54 D K E -M 186 0A 122 -2,-0.3 2,-0.7 -27,-0.2 -27,-0.3 -0.652 37.4-120.7 -95.1 150.3 39.1 20.0 -16.8 214 55 D V - 0 0 25 -29,-3.1 6,-0.1 -2,-0.2 5,-0.0 -0.830 29.8-141.3 -92.6 113.0 38.6 21.9 -13.5 215 56 D E > - 0 0 104 -2,-0.7 3,-1.7 4,-0.2 8,-0.1 -0.321 23.0-105.5 -72.6 160.7 34.9 23.0 -13.2 216 57 D P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.854 118.0 37.9 -59.7 -39.9 34.0 26.3 -11.8 217 58 D M T 3 S+ 0 0 136 2,-0.1 2,-0.4 -72,-0.0 -2,-0.1 0.138 107.0 91.8 -96.7 20.4 32.7 25.3 -8.4 218 59 D E < - 0 0 42 -3,-1.7 2,-0.2 3,-0.0 -4,-0.0 -0.931 69.0-132.4-121.8 136.5 35.5 22.7 -8.1 219 60 D C > - 0 0 18 -2,-0.4 4,-2.0 1,-0.1 3,-0.5 -0.570 31.4-111.4 -81.5 152.8 39.0 22.6 -6.7 220 61 D A H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.786 117.1 53.7 -51.5 -35.0 41.9 21.2 -8.7 221 62 D E H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 111.0 44.5 -69.6 -42.4 42.2 18.2 -6.2 222 63 D E H > S+ 0 0 14 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.793 112.0 53.2 -73.1 -27.6 38.5 17.2 -6.6 223 64 D A H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.836 108.4 51.5 -71.8 -34.5 38.8 17.7 -10.4 224 65 D A H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.890 111.3 46.1 -67.8 -42.4 41.8 15.3 -10.3 225 66 D L H X S+ 0 0 35 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.854 112.8 50.2 -67.9 -39.5 39.8 12.7 -8.3 226 67 D R H X S+ 0 0 68 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.893 108.4 53.0 -65.3 -41.7 36.8 13.0 -10.7 227 68 D A H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -16,-0.3 0.859 111.0 46.7 -60.9 -40.1 39.2 12.6 -13.7 228 69 D V H X>S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 6,-1.0 0.912 116.3 44.7 -68.6 -44.6 40.5 9.3 -12.2 229 70 D K H X5S+ 0 0 74 -4,-2.1 4,-0.6 4,-0.2 -2,-0.2 0.867 115.8 46.3 -67.9 -41.4 37.0 8.1 -11.4 230 71 D E H <5S+ 0 0 49 -4,-3.0 45,-0.2 1,-0.1 -2,-0.2 0.855 123.9 31.3 -70.4 -39.3 35.5 9.1 -14.8 231 72 D E H <5S+ 0 0 16 -4,-1.8 46,-0.3 -5,-0.2 -30,-0.3 0.770 139.3 14.3 -92.8 -32.3 38.3 7.6 -17.0 232 73 D T H <5S- 0 0 1 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.532 86.7-129.1-119.1 -15.7 39.6 4.6 -14.9 233 74 D G << + 0 0 4 -5,-0.8 34,-2.9 -4,-0.6 2,-0.3 0.716 60.4 147.8 68.6 23.7 36.8 4.0 -12.3 234 75 D A E - S 0 266A 3 -6,-1.0 2,-0.4 32,-0.3 32,-0.3 -0.656 46.5-138.3 -97.4 147.4 39.5 4.0 -9.6 235 76 D R E - S 0 265A 114 30,-3.0 29,-1.9 -2,-0.3 30,-1.4 -0.865 23.3-131.9-103.0 132.9 39.5 5.2 -6.0 236 77 D V E - S 0 263A 35 -2,-0.4 27,-0.2 27,-0.2 3,-0.2 -0.741 18.8-172.2 -92.1 132.2 42.6 7.1 -4.8 237 78 D K E S+ 0 0 115 25,-3.0 2,-0.3 -2,-0.4 26,-0.2 0.855 83.5 9.4 -83.5 -44.2 44.4 6.2 -1.5 238 79 D S E - S 0 262A 18 24,-1.4 24,-2.8 2,-0.0 2,-0.6 -0.958 62.1-166.4-145.5 120.2 46.7 9.3 -1.6 239 80 D L E -bS 2 261A 2 -238,-2.8 -236,-2.4 -2,-0.3 2,-0.4 -0.949 18.2-176.9-107.0 115.7 46.6 12.3 -4.0 240 81 D K E -bS 3 260A 37 20,-2.9 20,-3.1 -2,-0.6 2,-0.4 -0.971 27.8-122.2-121.8 132.3 49.8 14.4 -3.9 241 82 D Y E + S 0 259A 2 -238,-2.3 18,-0.2 -2,-0.4 3,-0.1 -0.556 33.9 169.4 -70.6 122.3 50.6 17.6 -5.7 242 83 D L E - 0 0 1 16,-2.5 -66,-2.4 -2,-0.4 2,-0.2 0.860 51.5 -57.6 -99.1 -55.6 53.8 17.1 -7.9 243 84 D G E -LS 175 258A 0 15,-1.2 15,-3.3 -68,-0.3 -1,-0.3 -0.893 43.1-104.6-167.8-164.6 54.0 20.2 -10.1 244 85 D Q E -LS 174 257A 0 -70,-3.0 -70,-2.5 13,-0.3 2,-0.4 -0.998 19.1-161.8-146.9 142.6 52.5 22.5 -12.7 245 86 D Y E -LS 173 256A 8 11,-2.9 11,-3.4 -2,-0.3 2,-0.5 -0.986 7.9-151.0-133.6 141.6 52.9 23.1 -16.4 246 87 D K E -LS 172 255A 50 -74,-2.8 -74,-2.4 -2,-0.4 2,-0.6 -0.935 8.9-157.6-108.1 126.4 52.0 25.9 -18.8 247 88 D V E -LS 171 254A 17 7,-3.0 7,-2.1 -2,-0.5 2,-0.7 -0.940 7.5-160.3-108.3 115.9 51.3 25.2 -22.5 248 89 D L E +LS 170 253A 52 -78,-3.4 -78,-1.6 -2,-0.6 5,-0.2 -0.881 17.4 169.4-102.1 110.5 51.7 28.2 -24.8 249 90 D G - 0 0 33 3,-2.0 -79,-0.1 -2,-0.7 4,-0.1 0.141 52.3 -77.5 -92.8-149.2 50.0 28.0 -28.2 250 91 D K S S- 0 0 203 -81,-0.0 3,-0.1 -2,-0.0 -2,-0.0 0.926 118.0 -9.4 -83.2 -49.8 49.4 30.7 -30.8 251 92 D E S S+ 0 0 176 1,-0.1 2,-0.4 0, 0.0 -3,-0.0 0.561 125.5 68.0-122.4 -22.4 46.5 32.5 -29.2 252 93 D K - 0 0 171 2,-0.0 -3,-2.0 0, 0.0 2,-0.4 -0.873 56.1-165.3-111.2 139.7 45.5 30.2 -26.2 253 94 D V E - S 0 248A 85 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.989 8.8-169.9-123.1 125.3 47.5 29.5 -23.0 254 95 D I E - S 0 247A 61 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.5 -0.911 11.0-151.2-118.3 146.3 46.5 26.5 -20.7 255 96 D V E - S 0 246A 18 -2,-0.3 -69,-1.6 -9,-0.2 -70,-0.6 -0.979 12.8-164.7-119.0 122.8 47.8 25.7 -17.2 256 97 D K E -nS 186 245A 24 -11,-3.4 -11,-2.9 -2,-0.5 2,-0.4 -0.935 10.9-145.0-111.7 130.0 47.9 22.0 -16.1 257 98 D N E -nS 187 244A 0 -71,-2.0 -69,-3.1 -2,-0.4 2,-0.5 -0.792 15.8-143.7 -92.1 128.4 48.3 20.8 -12.4 258 99 D I E -nS 188 243A 0 -15,-3.3 -16,-2.5 -2,-0.4 -15,-1.2 -0.853 22.4-179.7 -96.9 126.4 50.3 17.5 -12.1 259 100 D Y E -nS 189 241A 0 -71,-2.8 -69,-3.0 -2,-0.5 2,-0.5 -0.932 22.5-141.8-124.2 148.3 49.1 15.1 -9.4 260 101 D F E -nS 190 240A 1 -20,-3.1 -20,-2.9 -2,-0.3 2,-0.5 -0.947 19.1-163.5-107.7 126.4 50.4 11.7 -8.2 261 102 D A E -nS 191 239A 0 -71,-2.7 -69,-2.5 -2,-0.5 2,-0.8 -0.958 12.7-156.8-118.2 116.6 47.7 9.2 -7.2 262 103 D D E -nS 192 238A 50 -24,-2.8 -25,-3.0 -2,-0.5 -24,-1.4 -0.838 29.0-139.2 -86.4 106.4 48.4 6.1 -5.2 263 104 D I E - S 0 236A 7 -71,-3.1 -69,-0.4 -2,-0.8 -27,-0.2 -0.634 25.2-176.9 -77.4 128.5 45.5 4.0 -6.3 264 105 D E E - 0 0 113 -29,-1.9 2,-0.3 -2,-0.4 -28,-0.2 0.865 67.7 -10.9 -86.6 -46.4 43.8 1.9 -3.5 265 106 D K E - S 0 235A 90 -30,-1.4 -30,-3.0 2,-0.0 2,-0.5 -0.989 52.4-131.0-155.4 157.2 41.2 0.1 -5.8 266 107 D L E - S 0 234A 58 -2,-0.3 2,-0.3 -32,-0.3 -32,-0.3 -0.964 33.1-163.2-111.5 122.8 39.6 -0.1 -9.3 267 108 D E - 0 0 86 -34,-2.9 2,-0.1 -2,-0.5 -2,-0.0 -0.762 25.1 -93.9-111.4 157.9 35.7 -0.2 -9.2 268 109 D K - 0 0 215 -2,-0.3 2,-0.3 2,-0.0 -35,-0.1 -0.427 43.3-176.5 -67.5 135.3 33.0 -1.2 -11.7 269 110 D Q - 0 0 49 -2,-0.1 3,-0.1 1,-0.1 -39,-0.0 -0.999 27.5-151.8-140.9 136.0 31.5 1.7 -13.8 270 111 D A S S+ 0 0 116 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.900 88.5 36.7 -70.2 -45.7 28.7 1.9 -16.4 271 112 D D - 0 0 88 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.953 53.1-177.6-116.8 125.6 30.1 4.9 -18.3 272 113 D Y > - 0 0 54 -2,-0.5 3,-1.2 1,-0.3 2,-0.3 0.250 34.2-147.8-100.9 10.8 33.7 5.5 -18.9 273 114 D F T 3 - 0 0 97 1,-0.2 -1,-0.3 3,-0.1 -42,-0.1 -0.412 69.0 -4.5 65.1-121.6 33.1 8.8 -20.7 274 115 D E T 3 S+ 0 0 110 -2,-0.3 -71,-2.1 -3,-0.1 -70,-0.3 0.201 125.5 67.2 -92.9 13.4 35.5 9.7 -23.4 275 116 D T E < S-P 202 0A 12 -3,-1.2 -73,-0.2 -73,-0.3 -3,-0.2 -0.754 81.0-122.2-128.3 170.2 37.7 6.7 -22.8 276 117 D K E - 0 0 134 -75,-2.6 -74,-0.1 1,-0.3 -3,-0.1 0.286 66.8 -99.8 -96.3 3.7 37.6 2.9 -23.0 277 118 D G E - 0 0 1 -46,-0.3 -76,-1.2 -5,-0.3 -1,-0.3 -0.657 64.8 -13.0 114.6-165.7 38.3 2.4 -19.4 278 119 D P E -P 200 0A 48 0, 0.0 2,-0.4 0, 0.0 -78,-0.2 -0.521 50.0-168.7 -79.1 141.4 41.3 1.5 -17.1 279 120 D V E -P 199 0A 31 -80,-3.3 -80,-3.2 -2,-0.2 2,-0.5 -0.997 8.8-151.5-128.7 123.8 44.6 0.2 -18.7 280 121 D L E -P 198 0A 80 -2,-0.4 2,-0.4 -82,-0.2 -82,-0.2 -0.861 10.9-174.1-103.6 129.8 47.4 -1.3 -16.5 281 122 D F E -P 197 0A 36 -84,-2.7 -84,-2.6 -2,-0.5 3,-0.2 -0.988 19.7-159.5-122.1 126.2 51.1 -1.2 -17.4 282 123 D H S S- 0 0 135 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.834 89.5 -2.7 -68.6 -33.8 53.8 -3.0 -15.3 283 124 D E S S- 0 0 143 -87,-0.1 -1,-0.3 -86,-0.1 3,-0.1 -0.961 84.3-104.6-156.8 143.3 56.3 -0.6 -17.0 284 125 D L - 0 0 24 -2,-0.3 4,-0.0 -3,-0.2 -3,-0.0 -0.512 47.6 -97.0 -72.7 142.4 56.0 2.1 -19.6 285 126 D P - 0 0 41 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.127 32.6-115.2 -62.1 153.4 57.2 1.3 -23.1 286 127 D E S S+ 0 0 177 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.788 99.8 26.3 -62.7 -41.7 60.7 2.4 -24.1 287 128 D N > + 0 0 80 1,-0.1 4,-0.6 2,-0.0 -1,-0.2 -0.921 61.2 169.5-126.4 107.0 60.0 4.9 -26.8 288 129 D L T 4 + 0 0 22 -2,-0.5 6,-0.2 -3,-0.2 -1,-0.1 0.681 69.6 70.7 -91.9 -15.7 56.7 6.5 -26.6 289 130 D S T 4 S+ 0 0 70 1,-0.2 -1,-0.2 9,-0.1 10,-0.1 0.881 105.7 39.3 -64.2 -37.9 57.2 9.1 -29.2 290 131 D R T 4 S+ 0 0 186 -3,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.702 92.3 103.0 -84.3 -25.4 57.2 6.5 -32.0 291 132 D N >< - 0 0 40 -4,-0.6 3,-0.6 1,-0.2 -3,-0.0 -0.513 52.5-166.8 -67.1 111.9 54.3 4.4 -30.4 292 133 D K T 3 S+ 0 0 192 -2,-0.5 -1,-0.2 1,-0.2 4,-0.1 0.704 83.2 65.3 -72.7 -23.8 51.0 5.2 -32.3 293 134 D K T 3 S+ 0 0 137 -87,-0.1 -86,-2.1 2,-0.1 -1,-0.2 0.738 92.7 78.5 -69.9 -27.7 48.8 3.6 -29.6 294 135 D F B < S-r 207 0A 6 -3,-0.6 -86,-0.2 -88,-0.3 2,-0.1 -0.431 86.4-105.3 -84.8 158.2 49.9 6.2 -27.0 295 136 D S > - 0 0 0 -88,-2.8 3,-1.1 -2,-0.1 4,-0.3 -0.467 22.5-120.4 -80.0 154.0 48.6 9.8 -26.6 296 137 D F G > S+ 0 0 63 1,-0.2 3,-1.0 2,-0.2 -130,-0.4 0.726 111.2 69.3 -64.7 -24.8 50.6 12.9 -27.7 297 138 D I G 3 S+ 0 0 19 1,-0.3 3,-0.5 2,-0.2 6,-0.3 0.780 101.7 46.5 -62.8 -29.8 50.4 14.2 -24.0 298 139 D M G < S+ 0 0 3 -3,-1.1 -1,-0.3 -91,-0.2 -2,-0.2 0.499 99.1 74.9 -87.6 -10.6 52.8 11.2 -23.2 299 140 D K S < S+ 0 0 39 -3,-1.0 2,-0.2 -4,-0.3 -1,-0.2 0.254 84.7 71.8 -92.4 10.3 55.0 12.1 -26.2 300 141 D D S > S- 0 0 20 -3,-0.5 3,-0.7 -4,-0.1 -135,-0.1 -0.599 97.3 -92.2-116.9 178.9 56.8 15.3 -24.7 301 142 D S T 3> S+ 0 0 50 -137,-0.5 4,-2.0 1,-0.2 5,-0.3 0.594 109.3 82.4 -67.8 -12.2 59.4 16.0 -22.0 302 143 D V H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 91.9 48.4 -55.6 -52.4 56.6 16.4 -19.3 303 144 D L H <> S+ 0 0 7 -3,-0.7 4,-2.0 -6,-0.3 5,-0.2 0.942 114.3 40.4 -58.6 -59.4 56.4 12.6 -18.8 304 145 D P H > S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.870 118.2 48.2 -62.2 -36.6 60.2 11.7 -18.4 305 146 D I H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 112.8 48.4 -66.6 -44.6 60.9 14.8 -16.2 306 147 D S H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.834 111.3 49.3 -63.8 -38.2 57.8 14.1 -14.0 307 148 D L H X S+ 0 0 35 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.836 111.1 49.9 -70.7 -34.9 58.7 10.4 -13.5 308 149 D K H X S+ 0 0 124 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.879 112.4 47.5 -68.3 -40.3 62.3 11.3 -12.5 309 150 D K H X S+ 0 0 67 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.812 111.5 51.3 -68.8 -33.4 61.0 13.9 -10.0 310 151 D L H X>S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 5,-1.1 0.816 111.2 47.7 -71.2 -35.6 58.5 11.2 -8.7 311 152 D K H <5S+ 0 0 145 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 112.7 48.5 -72.6 -39.6 61.5 8.8 -8.2 312 153 D E H <5S+ 0 0 125 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.727 107.6 56.7 -73.1 -26.5 63.6 11.4 -6.5 313 154 D S H <5S- 0 0 55 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.932 103.1-127.8 -70.8 -49.9 60.8 12.4 -4.1 314 155 D G T <5S+ 0 0 59 -4,-1.3 -3,-0.1 -5,-0.1 -2,-0.1 0.716 70.9 120.7 102.9 33.1 60.2 8.9 -2.6 315 156 D W < + 0 0 53 -5,-1.1 2,-0.1 -75,-0.0 -4,-0.1 0.755 63.5 65.5 -92.3 -31.7 56.4 8.4 -3.2 316 157 D I 0 0 21 -6,-0.6 -54,-0.0 -121,-0.0 -124,-0.0 -0.455 360.0 360.0 -89.4 164.1 56.7 5.3 -5.4 317 158 D E 0 0 198 -2,-0.1 -123,-0.0 0, 0.0 -122,-0.0 -0.193 360.0 360.0 47.4 360.0 58.0 1.7 -4.4