==== 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 TRANSFERASE 27-JUN-11 3SM3 . COMPND 2 MOLECULE: SAM-DEPENDENT METHYLTRANSFERASES; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR S.VOROBIEV,H.NEELY,J.SEETHARAMAN,A.SNYDER,P.PATEL,R.XIAO, . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 0 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 . 1 0 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 18 A L 0 0 61 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 97.0 52.3 16.2 90.4 2 19 A D - 0 0 113 1,-0.1 2,-0.4 24,-0.0 25,-0.0 -0.328 360.0 -86.8 -84.7 170.9 52.8 19.6 88.7 3 20 A L - 0 0 14 -2,-0.1 -1,-0.1 2,-0.0 88,-0.0 -0.674 44.7-123.2 -73.3 128.3 51.2 20.9 85.5 4 21 A Y > - 0 0 50 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.595 17.1-123.4 -73.0 137.6 53.2 19.9 82.5 5 22 A P T > S+ 0 0 99 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.745 103.1 78.3 -48.7 -33.9 54.3 22.9 80.4 6 23 A I T >> S+ 0 0 26 1,-0.3 3,-2.2 2,-0.2 4,-0.6 0.845 79.7 70.5 -50.2 -33.8 52.6 21.4 77.3 7 24 A I H X> S+ 0 0 0 -3,-1.9 4,-1.6 1,-0.3 3,-1.1 0.832 89.1 61.6 -56.2 -30.8 49.3 22.6 78.7 8 25 A H H <4 S+ 0 0 67 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.633 94.4 61.5 -76.8 -10.9 50.3 26.2 78.0 9 26 A N H <4 S+ 0 0 129 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.709 112.4 37.7 -78.7 -20.5 50.5 25.5 74.3 10 27 A Y H << S+ 0 0 35 -3,-1.1 -2,-0.2 -4,-0.6 2,-0.2 0.653 96.4 92.1-107.0 -22.0 46.9 24.6 74.2 11 28 A L < - 0 0 8 -4,-1.6 2,-0.3 4,-0.0 76,-0.0 -0.519 59.7-154.7 -72.7 140.7 45.4 27.1 76.6 12 29 A Q > - 0 0 128 -2,-0.2 3,-2.3 1,-0.1 74,-0.1 -0.891 30.6-101.7-115.4 153.7 44.0 30.4 75.2 13 30 A E T 3 S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.783 116.3 34.6 -41.0 -53.0 43.8 33.7 77.3 14 31 A D T 3 S+ 0 0 135 22,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.042 83.2 143.7 -99.1 26.5 40.0 33.6 78.1 15 32 A D < - 0 0 20 -3,-2.3 22,-1.0 71,-0.1 2,-0.7 -0.450 45.9-140.0 -66.6 133.5 39.6 29.9 78.4 16 33 A E E -a 37 0A 71 -2,-0.2 70,-1.8 20,-0.1 71,-1.5 -0.886 27.7-155.1 -90.1 117.0 37.1 28.8 81.1 17 34 A I E -ab 38 87A 0 20,-2.8 22,-3.3 -2,-0.7 2,-0.6 -0.790 15.6-155.6-105.3 135.6 38.7 25.7 82.7 18 35 A L E -ab 39 88A 0 69,-2.8 71,-3.1 -2,-0.4 2,-0.8 -0.928 7.3-161.6-102.8 120.2 37.1 22.8 84.5 19 36 A D E > -ab 40 89A 3 20,-3.0 22,-2.9 -2,-0.6 3,-0.5 -0.850 11.8-155.9-100.5 98.5 39.5 21.0 87.0 20 37 A I E 3 S+a 41 0A 1 69,-2.2 71,-0.5 -2,-0.8 22,-0.1 -0.648 77.4 11.8 -80.7 120.7 37.9 17.6 87.6 21 38 A G T 3 S+ 0 0 19 20,-1.7 -1,-0.2 -2,-0.5 21,-0.2 0.942 75.7 173.9 79.2 55.9 39.0 16.2 91.0 22 39 A C X - 0 0 10 19,-2.8 3,-2.4 -3,-0.5 4,-0.4 0.594 12.1-169.9 -75.2 -11.7 40.6 19.4 92.3 23 40 A G T 3 S- 0 0 25 18,-0.3 28,-0.2 1,-0.3 -1,-0.2 -0.322 72.9 -14.7 52.8-133.9 41.4 18.1 95.7 24 41 A S T 3 S- 0 0 64 26,-0.1 -1,-0.3 27,-0.1 30,-0.2 0.303 105.5-102.8 -87.3 10.6 42.4 21.0 97.9 25 42 A G S <> S+ 0 0 0 -3,-2.4 4,-2.5 16,-0.1 5,-0.3 0.582 72.5 141.5 94.2 15.9 42.9 23.1 94.8 26 43 A K H > S+ 0 0 131 -4,-0.4 4,-1.7 1,-0.2 5,-0.1 0.923 81.8 38.9 -53.4 -48.8 46.6 23.3 94.2 27 44 A I H > S+ 0 0 18 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.891 114.3 52.1 -75.7 -40.4 46.2 23.1 90.4 28 45 A S H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 112.6 47.1 -57.1 -43.9 43.1 25.2 90.1 29 46 A L H X S+ 0 0 30 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.834 109.3 53.8 -71.7 -33.9 44.9 28.0 92.1 30 47 A E H X S+ 0 0 45 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.915 112.6 43.8 -64.1 -43.5 48.0 27.7 90.0 31 48 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 -2,-0.2 0.910 112.9 51.3 -68.4 -40.2 45.9 28.2 86.9 32 49 A A H ><5S+ 0 0 6 -4,-2.6 3,-2.6 1,-0.2 34,-0.4 0.958 107.4 54.6 -59.9 -47.6 44.0 31.0 88.5 33 50 A S H 3<5S+ 0 0 15 -4,-2.8 30,-2.0 1,-0.3 29,-0.6 0.813 103.1 56.8 -51.6 -35.3 47.3 32.6 89.4 34 51 A K T 3<5S- 0 0 55 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.360 130.3 -93.8 -85.5 7.8 48.3 32.4 85.7 35 52 A G T < 5S+ 0 0 16 -3,-2.6 2,-0.3 28,-0.3 -3,-0.2 0.553 81.3 132.8 99.8 9.7 45.2 34.4 84.8 36 53 A Y < - 0 0 31 -5,-2.2 31,-1.6 -6,-0.1 2,-0.6 -0.647 56.7-127.1 -95.9 151.1 42.7 31.7 84.0 37 54 A S E -ac 16 67A 16 -22,-1.0 -20,-2.8 29,-0.3 2,-0.4 -0.855 41.3-179.8 -90.2 118.9 39.1 31.4 85.1 38 55 A V E -ac 17 68A 3 29,-2.8 31,-2.2 -2,-0.6 2,-0.6 -0.976 28.1-155.9-131.9 135.2 38.9 28.0 86.7 39 56 A T E -ac 18 69A 22 -22,-3.3 -20,-3.0 -2,-0.4 2,-0.5 -0.941 18.2-154.0-104.6 117.6 36.1 25.9 88.3 40 57 A G E -ac 19 70A 0 29,-3.1 31,-2.2 -2,-0.6 2,-0.4 -0.807 12.7-164.3 -95.1 126.5 37.6 23.3 90.6 41 58 A I E +ac 20 71A 2 -22,-2.9 -19,-2.8 -2,-0.5 -20,-1.7 -0.860 16.6 156.6-117.3 137.6 35.3 20.2 91.1 42 59 A D E - c 0 72A 19 29,-1.7 31,-1.6 -2,-0.4 6,-0.1 -0.972 40.4-132.4-159.0 148.5 35.4 17.5 93.7 43 60 A I S S+ 0 0 100 -2,-0.3 2,-0.5 29,-0.2 -1,-0.1 0.817 86.9 69.9 -71.5 -32.3 33.1 14.9 95.3 44 61 A N > - 0 0 55 1,-0.1 4,-1.8 29,-0.0 5,-0.1 -0.774 66.9-149.0-102.5 132.5 34.0 15.6 98.9 45 62 A S H > S+ 0 0 86 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.744 94.8 66.4 -64.4 -26.1 33.1 18.8 100.8 46 63 A E H > S+ 0 0 144 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.990 105.0 41.3 -58.3 -60.9 36.3 18.5 102.9 47 64 A A H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 115.6 51.5 -51.8 -47.1 38.6 19.1 100.0 48 65 A I H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.888 109.1 50.6 -61.0 -39.4 36.3 21.8 98.6 49 66 A R H X S+ 0 0 153 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.965 111.1 47.4 -63.4 -51.8 36.3 23.6 101.9 50 67 A L H X S+ 0 0 72 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.876 110.0 55.7 -53.2 -40.3 40.1 23.5 102.2 51 68 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.895 107.9 45.6 -63.7 -43.4 40.3 24.8 98.6 52 69 A E H < S+ 0 0 103 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.809 112.6 54.6 -69.2 -29.4 38.1 27.8 99.3 53 70 A T H >X S+ 0 0 68 -4,-2.1 3,-1.8 -5,-0.2 4,-1.1 0.983 110.9 42.5 -61.0 -60.2 40.3 28.3 102.4 54 71 A A H 3< S+ 0 0 29 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 107.0 64.6 -54.3 -37.4 43.5 28.3 100.3 55 72 A A T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.634 97.3 55.5 -66.5 -16.6 41.8 30.5 97.7 56 73 A R T <4 S+ 0 0 78 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.921 80.9 100.7 -78.9 -49.9 41.5 33.3 100.3 57 74 A S < - 0 0 70 -4,-1.1 3,-0.3 -3,-0.1 2,-0.1 -0.083 69.6-139.9 -39.3 131.1 45.2 33.5 101.1 58 75 A P + 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.378 63.9 43.8-108.9 172.1 46.7 36.4 99.1 59 76 A G S S+ 0 0 79 -2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.513 74.4 118.9 78.4 7.5 49.7 37.7 97.1 60 77 A L + 0 0 89 -3,-0.3 -3,-0.0 2,-0.0 -1,-0.0 0.858 40.4 106.5 -70.6 -35.3 49.8 34.4 95.2 61 78 A N - 0 0 108 1,-0.1 -27,-0.1 5,-0.1 -28,-0.1 -0.145 37.8-179.9 -71.3 135.0 49.2 35.7 91.6 62 79 A Q S S+ 0 0 119 -29,-0.6 2,-0.3 1,-0.1 -28,-0.2 0.563 80.6 30.6 -95.2 -13.7 51.8 36.0 88.9 63 80 A K S S- 0 0 123 -30,-2.0 -28,-0.3 -31,-0.1 2,-0.2 -0.940 77.8-123.8-136.3 163.7 49.1 37.3 86.5 64 81 A T S S+ 0 0 137 -2,-0.3 3,-0.1 -30,-0.2 -2,-0.0 -0.595 81.4 49.7 -96.8 163.1 45.9 39.3 86.6 65 82 A G S S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.2 -32,-0.1 -0.002 78.0 113.2 107.2 -29.6 42.5 38.2 85.3 66 83 A G + 0 0 26 -34,-0.4 -1,-0.3 -3,-0.2 2,-0.3 -0.308 35.6 177.9 -82.3 160.8 42.2 34.7 86.8 67 84 A K E -c 37 0A 102 -31,-1.6 -29,-2.8 -3,-0.1 2,-0.4 -0.972 15.0-148.1-154.1 154.0 39.7 33.5 89.4 68 85 A A E +c 38 0A 25 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.993 13.4 179.8-131.3 126.0 39.1 30.1 91.0 69 86 A E E -c 39 0A 124 -31,-2.2 -29,-3.1 -2,-0.4 2,-0.4 -0.941 13.2-151.8-120.6 147.0 35.7 28.9 92.3 70 87 A F E +c 40 0A 16 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.936 14.1 176.5-125.2 144.6 35.1 25.5 93.8 71 88 A K E -c 41 0A 92 -31,-2.2 -29,-1.7 -2,-0.4 2,-0.6 -1.000 33.9-117.8-146.3 139.7 32.1 23.2 93.9 72 89 A V E +c 42 0A 58 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.706 50.1 166.0 -75.7 119.8 31.2 19.8 95.3 73 90 A E - 0 0 12 -31,-1.6 2,-0.7 -2,-0.6 5,-0.1 -0.977 43.2-131.1-136.6 150.1 30.3 17.7 92.2 74 91 A N > - 0 0 72 3,-0.4 3,-2.7 -2,-0.3 -2,-0.0 -0.921 24.4-148.2 -95.8 116.0 29.8 14.1 91.2 75 92 A A T 3 S+ 0 0 11 -2,-0.7 3,-0.4 1,-0.3 34,-0.1 0.670 94.9 56.6 -65.3 -19.7 31.8 13.8 88.0 76 93 A S T 3 S+ 0 0 27 1,-0.2 -1,-0.3 33,-0.1 32,-0.0 0.457 119.3 33.8 -88.0 1.5 29.4 11.2 86.5 77 94 A S S < S- 0 0 87 -3,-2.7 -3,-0.4 29,-0.0 -1,-0.2 -0.340 80.4-173.8-150.0 66.6 26.6 13.7 86.9 78 95 A L - 0 0 11 -3,-0.4 -3,-0.1 1,-0.1 -5,-0.1 -0.317 23.5-144.3 -69.2 141.7 27.8 17.3 86.5 79 96 A S + 0 0 73 -2,-0.0 -1,-0.1 2,-0.0 -6,-0.0 0.724 69.8 104.3 -72.3 -21.5 25.3 20.1 87.2 80 97 A F S S- 0 0 34 1,-0.1 3,-0.1 0, 0.0 2,-0.0 -0.147 73.7-109.7 -69.2 156.1 26.8 22.2 84.4 81 98 A H > - 0 0 154 1,-0.2 3,-0.8 32,-0.1 -1,-0.1 -0.288 43.9 -80.5 -78.8 164.2 25.2 22.8 80.9 82 99 A D T 3 S+ 0 0 105 1,-0.2 31,-0.3 2,-0.1 -1,-0.2 -0.306 116.2 14.5 -57.8 148.2 26.4 21.4 77.6 83 100 A S T 3 S+ 0 0 49 29,-2.3 -1,-0.2 31,-0.5 31,-0.2 0.867 82.1 139.1 50.6 46.4 29.3 23.3 76.2 84 101 A S < + 0 0 35 29,-1.4 2,-0.3 -3,-0.8 30,-0.2 0.672 57.5 49.6 -85.7 -21.9 30.1 25.2 79.4 85 102 A F E - d 0 114A 8 28,-2.2 30,-2.7 1,-0.1 -68,-0.2 -0.911 52.6-157.6-133.2 148.8 33.9 25.0 79.2 86 103 A D E S+ 0 0 41 -70,-1.8 33,-1.2 -2,-0.3 2,-0.3 0.638 86.7 16.9 -90.3 -19.4 36.8 25.7 76.9 87 104 A F E -bd 17 119A 0 -71,-1.5 -69,-2.8 31,-0.2 2,-0.4 -0.991 60.5-160.2-158.7 139.5 39.2 23.4 78.6 88 105 A A E -bd 18 120A 0 31,-1.8 33,-3.2 -2,-0.3 2,-0.4 -0.973 4.6-159.3-125.5 143.1 39.2 20.5 81.1 89 106 A V E +bd 19 121A 0 -71,-3.1 -69,-2.2 -2,-0.4 2,-0.4 -0.986 9.1 179.0-121.3 132.0 42.0 19.2 83.3 90 107 A M E + d 0 122A 1 31,-3.0 33,-2.2 -2,-0.4 2,-0.7 -0.809 8.7 178.8-131.3 90.6 41.9 15.7 84.8 91 108 A Q E S- d 0 123A 18 -71,-0.5 33,-0.2 -2,-0.4 31,-0.1 -0.824 70.2 -30.9-105.2 110.5 45.1 15.0 86.8 92 109 A A S S+ 0 0 27 31,-2.9 -1,-0.2 -2,-0.7 32,-0.1 0.930 103.9 119.9 52.3 47.6 45.3 11.6 88.6 93 110 A F > + 0 0 29 30,-0.4 3,-1.8 -3,-0.3 4,-0.2 0.814 61.7 51.6-105.7 -51.6 41.5 11.5 89.0 94 111 A L G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 30,-0.1 0.746 96.1 73.8 -61.9 -24.3 40.3 8.4 87.1 95 112 A T G 3 S+ 0 0 3 1,-0.3 71,-2.2 70,-0.1 -1,-0.3 0.748 96.3 50.2 -60.7 -25.9 42.8 6.3 89.0 96 113 A S G < S+ 0 0 57 -3,-1.8 -1,-0.3 69,-0.2 -2,-0.2 0.384 88.8 92.8 -94.2 1.0 40.6 6.7 92.1 97 114 A V < - 0 0 14 -3,-1.8 6,-0.1 -4,-0.2 -1,-0.1 -0.844 57.5-168.3 -99.9 105.9 37.4 5.6 90.3 98 115 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.662 64.1 76.3 -72.6 -16.9 37.1 1.9 90.8 99 116 A D > - 0 0 72 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.838 62.8-157.6-102.5 114.2 34.3 1.2 88.2 100 117 A P H > S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.791 99.7 51.4 -57.2 -27.2 35.4 1.2 84.5 101 118 A K H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.869 106.7 52.7 -77.5 -36.3 31.8 1.9 83.6 102 119 A E H > S+ 0 0 43 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 106.0 56.2 -60.3 -37.1 31.8 4.8 86.0 103 120 A R H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.894 106.7 47.3 -66.3 -38.8 35.0 6.0 84.2 104 121 A S H X S+ 0 0 35 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.898 109.0 55.2 -67.4 -37.7 33.3 6.1 80.8 105 122 A R H X S+ 0 0 113 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.780 108.2 49.5 -66.3 -27.1 30.4 8.0 82.3 106 123 A I H X S+ 0 0 3 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.929 110.3 48.6 -75.7 -46.8 32.8 10.6 83.6 107 124 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.874 110.0 52.9 -58.5 -40.1 34.5 11.0 80.2 108 125 A K H X S+ 0 0 121 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.901 109.5 49.7 -62.1 -40.0 31.1 11.3 78.6 109 126 A E H X S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.873 110.9 48.3 -64.6 -40.0 30.2 14.1 81.1 110 127 A V H X S+ 0 0 1 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.939 111.5 50.4 -65.8 -45.8 33.4 15.9 80.4 111 128 A F H >< S+ 0 0 38 -4,-2.7 3,-0.6 1,-0.2 -28,-0.2 0.940 111.5 50.4 -54.6 -45.6 32.8 15.6 76.6 112 129 A R H 3< S+ 0 0 57 -4,-2.5 -29,-2.3 1,-0.2 -2,-0.2 0.894 111.6 44.2 -61.4 -44.8 29.3 17.0 77.2 113 130 A V H 3< S+ 0 0 0 -4,-2.2 -28,-2.2 -31,-0.3 -29,-1.4 0.559 99.4 88.3 -84.0 -5.9 30.3 20.0 79.2 114 131 A L E << S-d 85 0A 0 -4,-1.2 -31,-0.5 -3,-0.6 -28,-0.2 -0.680 81.1-118.9 -88.6 144.3 33.1 20.9 76.9 115 132 A K E > - 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