==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-07 2PYK . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,C.ABE,E.B.GARCIA-MORENO . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 26.2 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 7 A L 0 0 103 0, 0.0 2,-0.4 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 139.8 37.4 -1.3 20.1 2 8 A H - 0 0 121 64,-0.2 64,-0.5 65,-0.1 2,-0.3 -0.958 360.0-121.0-131.0 149.8 38.8 -4.4 18.4 3 9 A K E -A 65 0A 86 -2,-0.4 62,-0.2 62,-0.2 79,-0.0 -0.641 25.8-168.7 -86.8 140.6 37.5 -6.9 15.9 4 10 A E E -A 64 0A 27 60,-2.3 60,-2.5 -2,-0.3 2,-0.0 -0.954 25.7-105.0-127.9 147.0 37.4 -10.6 16.7 5 11 A P E +A 63 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.342 40.4 168.5 -72.1 154.2 36.7 -13.6 14.5 6 12 A A E -A 62 0A 12 56,-1.8 56,-0.7 15,-0.1 2,-0.4 -0.934 26.3-131.4-152.4 167.3 33.4 -15.4 14.5 7 13 A T E -B 20 0A 94 13,-1.5 13,-2.8 -2,-0.3 2,-0.1 -0.998 26.9-115.0-131.4 130.6 31.7 -18.0 12.3 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.413 36.9 165.9 -64.9 131.5 28.2 -17.7 11.0 9 15 A I E - 0 0 70 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.730 66.9 -19.3-107.2 -60.1 25.9 -20.4 12.4 10 16 A K E -B 18 0A 131 8,-1.7 8,-3.6 0, 0.0 2,-0.5 -0.955 49.8-135.2-157.4 132.5 22.4 -19.0 11.5 11 17 A A E +B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.744 25.3 178.9 -84.8 125.4 20.9 -15.7 10.5 12 18 A I - 0 0 46 4,-1.7 2,-0.3 -2,-0.5 5,-0.2 0.795 56.5 -23.8-100.3 -31.5 17.7 -15.3 12.5 13 19 A D S S- 0 0 7 3,-2.0 3,-0.3 36,-0.1 -1,-0.3 -0.921 77.7 -78.1-165.3 179.0 16.2 -11.9 11.5 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 79,-0.1 0.879 130.7 30.0 -61.3 -34.3 17.3 -8.6 10.1 15 21 A D S S+ 0 0 6 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.450 115.9 60.6-106.2 1.0 18.7 -7.5 13.5 16 22 A T E + C 0 29A 10 -3,-0.3 -3,-2.0 13,-0.2 -4,-1.7 -0.990 52.5 171.2-137.8 134.2 19.7 -10.9 15.1 17 23 A V E -BC 11 28A 0 11,-2.3 11,-3.2 -2,-0.4 2,-0.5 -0.993 27.8-130.0-142.5 147.0 22.2 -13.5 14.2 18 24 A K E +BC 10 27A 73 -8,-3.6 -9,-2.3 -2,-0.3 -8,-1.7 -0.845 35.3 173.5 -98.0 128.6 23.6 -16.7 15.7 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.0 -2,-0.5 2,-0.7 -0.937 37.7-119.8-135.0 155.1 27.4 -16.9 15.7 20 26 A M E +BC 7 25A 63 -13,-2.8 -13,-1.5 -2,-0.3 2,-0.5 -0.864 40.4 179.0 -92.9 116.8 30.2 -19.2 17.0 21 27 A Y E > - C 0 24A 23 3,-2.5 3,-1.8 -2,-0.7 -15,-0.1 -0.985 64.0 -14.4-127.4 122.5 32.2 -16.8 19.2 22 28 A K T 3 S- 0 0 145 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.900 131.3 -50.2 54.9 42.3 35.3 -18.0 21.1 23 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.313 121.4 90.5 83.6 -10.8 34.2 -21.6 20.6 24 30 A Q E < S-C 21 0A 83 -3,-1.8 -3,-2.5 -5,-0.0 -1,-0.1 -0.955 77.5-108.9-128.0 145.2 30.6 -21.4 21.7 25 31 A P E +C 20 0A 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.337 44.6 170.3 -62.1 142.7 27.3 -20.6 20.0 26 32 A M E -C 19 0A 40 -7,-2.0 -7,-2.9 2,-0.0 2,-0.5 -0.985 32.6-124.5-157.6 144.9 25.9 -17.2 20.9 27 33 A T E -C 18 0A 38 -2,-0.3 51,-2.9 49,-0.3 2,-0.4 -0.809 26.9-162.4 -96.5 129.0 23.1 -14.9 19.7 28 34 A F E -Cd 17 78A 0 -11,-3.2 -11,-2.3 -2,-0.5 2,-0.5 -0.907 9.7-154.8-113.6 142.1 24.0 -11.4 18.7 29 35 A R E -Cd 16 79A 36 49,-3.3 51,-1.5 -2,-0.4 2,-0.3 -0.961 31.8-114.6-112.1 125.6 21.8 -8.4 18.4 30 36 A L E > - d 0 80A 1 -15,-2.6 3,-0.9 -2,-0.5 51,-0.2 -0.452 33.4-119.0 -65.7 123.8 23.1 -5.7 16.0 31 37 A L T 3 S+ 0 0 7 49,-2.5 51,-0.1 -2,-0.3 -1,-0.1 -0.304 83.1 2.9 -64.0 145.9 23.9 -2.5 17.8 32 38 A L T 3 S+ 0 0 9 71,-0.2 70,-1.3 76,-0.1 2,-0.4 0.579 102.1 106.7 55.8 18.9 22.2 0.8 16.9 33 39 A V E < -H 101 0B 0 -3,-0.9 2,-0.5 68,-0.3 68,-0.2 -0.963 47.0-165.1-128.8 148.1 19.8 -0.6 14.3 34 40 A D E -H 100 0B 72 66,-2.2 66,-2.2 -2,-0.4 3,-0.0 -0.967 17.4-172.6-127.8 110.1 16.0 -1.2 14.3 35 41 A T - 0 0 10 -2,-0.5 64,-0.2 64,-0.2 -20,-0.1 -0.758 37.0 -90.3-104.6 152.3 14.8 -3.4 11.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.328 55.5-109.8 -56.5 139.3 11.2 -4.2 10.5 37 43 A E - 0 0 76 1,-0.1 5,-3.5 2,-0.1 8,-0.2 -0.475 27.5-170.0 -80.2 146.3 10.3 -7.3 12.4 38 44 A T 0 0 39 3,-0.2 -1,-0.1 7,-0.2 -25,-0.0 0.661 360.0 360.0-101.1 -25.9 9.8 -10.7 10.7 39 45 A K 0 0 177 2,-0.1 -2,-0.1 6,-0.0 -26,-0.0 0.225 360.0 360.0-142.6 360.0 8.3 -12.4 13.8 40 ! 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 41 51 A V 0 0 135 0, 0.0 -3,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 110.1 5.8 -9.7 9.5 42 52 A E > - 0 0 109 -5,-3.5 3,-2.1 1,-0.1 2,-0.0 -0.345 360.0 -77.6 -81.8 163.6 6.3 -6.0 9.1 43 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -6,-0.0 -0.368 120.7 8.6 -59.4 134.9 6.8 -4.1 5.8 44 54 A Y T 3> S+ 0 0 43 -3,-0.1 4,-2.6 1,-0.1 -1,-0.3 0.453 96.2 118.8 68.6 2.2 10.4 -4.6 4.6 45 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -8,-0.2 5,-0.2 0.974 76.4 43.5 -62.9 -54.8 10.9 -7.2 7.3 46 56 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 113.8 53.4 -61.9 -26.7 11.6 -10.1 4.9 47 57 A E H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 110.5 45.5 -70.3 -44.8 13.9 -7.7 2.8 48 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.921 113.6 50.7 -62.3 -45.8 15.9 -6.8 5.9 49 59 A S H X S+ 0 0 24 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 111.9 45.7 -58.5 -46.8 16.2 -10.4 6.9 50 60 A A H X S+ 0 0 56 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.835 110.9 54.6 -67.2 -33.9 17.3 -11.6 3.5 51 61 A F H X S+ 0 0 52 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.967 110.8 43.4 -64.0 -54.1 19.8 -8.7 3.3 52 62 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.920 116.6 48.7 -57.2 -47.4 21.5 -9.6 6.6 53 63 A K H X S+ 0 0 93 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.960 113.3 44.8 -58.4 -55.5 21.5 -13.4 5.7 54 64 A K H X S+ 0 0 141 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.916 110.8 54.2 -58.5 -44.4 22.9 -13.0 2.2 55 65 A M H < S+ 0 0 41 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.870 117.1 36.5 -60.0 -36.7 25.6 -10.6 3.3 56 66 A Q H >< S+ 0 0 4 -4,-1.7 3,-0.7 -3,-0.2 -2,-0.2 0.842 112.9 54.3 -87.9 -34.1 26.9 -13.0 6.0 57 67 A E H 3< S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.822 111.5 47.5 -68.3 -28.7 26.4 -16.3 4.2 58 68 A N T 3< S+ 0 0 116 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.462 91.9 104.4 -91.5 -2.9 28.5 -15.0 1.2 59 69 A A < - 0 0 22 -3,-0.7 3,-0.1 -4,-0.2 -3,-0.0 -0.465 59.3-151.9 -81.9 153.0 31.3 -13.6 3.3 60 70 A K S S+ 0 0 183 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.824 86.7 27.4 -86.3 -39.2 34.8 -15.2 3.7 61 71 A K - 0 0 139 -54,-0.0 24,-2.9 -56,-0.0 2,-0.4 -0.984 63.3-167.1-131.3 138.2 35.3 -13.6 7.1 62 72 A I E -AE 6 84A 12 -56,-0.7 -56,-1.8 -2,-0.4 2,-0.3 -0.974 13.1-176.5-121.3 132.4 32.9 -12.5 9.8 63 73 A E E -AE 5 83A 53 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.969 13.7-148.2-131.8 149.4 34.1 -10.4 12.7 64 74 A V E -AE 4 82A 0 -60,-2.5 -60,-2.3 -2,-0.3 2,-0.4 -0.903 7.7-165.8-115.7 144.9 32.4 -9.1 15.7 65 75 A E E -AE 3 81A 13 16,-2.2 16,-2.4 -2,-0.4 2,-0.2 -0.948 7.7-153.8-134.3 110.4 33.2 -5.8 17.4 66 76 A F E - E 0 80A 24 -64,-0.5 -64,-0.2 -2,-0.4 14,-0.2 -0.532 16.3-133.5 -79.3 153.6 31.9 -5.0 20.9 67 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.329 28.6 -98.1 -94.6-174.6 31.4 -1.4 21.9 68 78 A K S S+ 0 0 124 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.467 99.4 69.9 -86.3 -2.4 32.6 0.2 25.2 69 79 A G S S- 0 0 16 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.009 106.3 -31.3 -94.6-155.6 29.2 -0.1 26.9 70 80 A Q - 0 0 100 36,-1.2 -1,-0.3 1,-0.1 -3,-0.2 -0.366 53.5-152.5 -61.9 139.5 27.2 -3.1 28.2 71 81 A R S S+ 0 0 128 -3,-0.1 8,-2.8 1,-0.1 2,-0.3 0.554 70.3 38.1 -94.6 -11.6 28.0 -6.1 26.1 72 82 A T B S-F 78 0A 72 6,-0.3 6,-0.2 -44,-0.1 -1,-0.1 -0.993 71.1-134.0-140.4 147.4 24.8 -8.2 26.5 73 83 A D > - 0 0 20 4,-2.2 3,-1.9 -2,-0.3 -2,-0.0 -0.284 43.2 -86.9 -89.3-176.6 21.1 -7.3 26.7 74 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 126.7 56.7 -64.0 -22.8 18.5 -8.7 29.3 75 85 A Y T 3 S- 0 0 178 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.298 120.3-105.7 -91.1 8.0 17.8 -11.6 27.0 76 86 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -49,-0.3 0.568 72.2 141.9 82.7 6.7 21.4 -12.7 26.9 77 87 A R - 0 0 61 -51,-0.1 -4,-2.2 -49,-0.1 -49,-0.3 -0.651 53.9-116.8 -84.4 141.2 22.2 -11.6 23.3 78 88 A G E -dF 28 72A 0 -51,-2.9 -49,-3.3 -2,-0.3 2,-0.7 -0.492 22.4-137.6 -73.3 143.5 25.6 -10.0 22.6 79 89 A L E +d 29 0A 10 -8,-2.8 -12,-0.6 -51,-0.2 2,-0.3 -0.901 46.1 132.1-107.0 111.3 25.5 -6.4 21.5 80 90 A A E -dE 30 66A 0 -51,-1.5 -49,-2.5 -2,-0.7 2,-0.4 -0.943 59.6-108.2-154.2 170.9 27.9 -5.7 18.7 81 91 A Y E - E 0 65A 0 -16,-2.4 -16,-2.2 -2,-0.3 2,-0.4 -0.857 39.8-150.8 -98.5 134.2 28.8 -4.3 15.3 82 92 A I E - E 0 64A 0 -2,-0.4 7,-3.2 -18,-0.2 8,-0.7 -0.940 7.8-160.8-114.1 135.9 29.1 -7.2 12.8 83 93 A Y E -GE 88 63A 15 -20,-2.8 -20,-2.1 -2,-0.4 2,-0.5 -0.927 6.9-162.0-116.2 140.6 31.5 -7.0 9.8 84 94 A A E > S-GE 87 62A 6 3,-3.0 3,-2.2 -2,-0.4 -22,-0.2 -0.984 83.2 -22.7-122.3 113.0 31.3 -9.2 6.7 85 95 A D T 3 S- 0 0 73 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.920 130.1 -48.2 49.4 51.3 34.6 -9.1 4.7 86 96 A G T 3 S+ 0 0 45 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.301 116.5 112.9 77.4 -11.0 35.4 -5.8 6.3 87 97 A K E < -G 84 0A 157 -3,-2.2 -3,-3.0 4,-0.0 2,-0.4 -0.840 69.0-123.8 -99.4 130.1 32.0 -4.2 5.6 88 98 A M E > -G 83 0A 9 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.533 12.2-157.2 -75.1 121.9 29.9 -3.4 8.6 89 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.3 -2,-0.4 5,-0.2 0.880 92.6 58.0 -63.9 -39.1 26.5 -5.0 8.4 90 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.947 111.5 42.6 -55.0 -47.9 24.9 -2.5 10.8 91 101 A E H > S+ 0 0 68 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.913 110.8 53.9 -66.2 -46.0 25.9 0.3 8.4 92 102 A A H X S+ 0 0 26 -4,-2.3 4,-2.1 1,-0.2 6,-0.2 0.905 107.3 52.7 -57.5 -42.8 25.0 -1.4 5.2 93 103 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 6,-0.5 0.936 113.6 41.8 -58.5 -49.6 21.4 -2.0 6.5 94 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 5,-0.3 0.947 113.4 52.5 -64.2 -47.5 20.9 1.6 7.4 95 105 A R H 3<5S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.0 50.0 -57.5 -36.6 22.5 2.9 4.2 96 106 A Q T 3<5S- 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.444 118.2-114.0 -82.3 -0.5 20.3 0.7 2.0 97 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.0 -4,-0.2 33,-0.2 0.843 83.8 119.9 72.2 31.5 17.3 2.0 3.9 98 108 A L S -I 108 0C 84 3,-0.6 3,-1.9 1,-0.2 -35,-0.1 -0.910 60.6 -33.1-108.9 120.8 21.9 1.7 24.6 106 116 A K T 3 S- 0 0 114 -2,-0.6 -36,-1.2 1,-0.3 -1,-0.2 0.808 121.8 -43.5 41.7 52.7 24.0 1.9 27.8 107 117 A G T 3 S+ 0 0 34 -38,-0.2 2,-1.4 1,-0.2 -39,-0.3 0.554 99.6 133.1 78.7 6.2 27.0 3.8 26.4 108 118 A N B < +I 105 0C 1 -3,-1.9 -3,-0.6 1,-0.2 -1,-0.2 -0.637 26.9 113.9 -92.5 83.1 27.2 1.9 23.1 109 119 A N > + 0 0 57 -2,-1.4 3,-1.6 -5,-0.1 4,-0.4 0.195 18.4 124.2-138.2 22.8 27.6 4.7 20.6 110 120 A T T 3 S+ 0 0 61 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.887 90.9 31.3 -51.7 -41.6 31.0 4.6 19.0 111 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.194 84.3 110.6-105.0 19.6 29.4 4.4 15.5 112 122 A E H <> S+ 0 0 40 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.899 80.9 47.4 -60.1 -41.0 26.3 6.4 16.1 113 123 A Q H > S+ 0 0 109 -4,-0.4 4,-2.8 -3,-0.3 -1,-0.2 0.942 110.6 51.5 -66.9 -46.1 27.4 9.3 13.9 114 124 A L H > S+ 0 0 65 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.933 115.0 42.8 -53.2 -48.8 28.6 7.1 11.1 115 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.856 110.4 56.5 -68.7 -33.8 25.2 5.3 11.1 116 126 A R H X S+ 0 0 91 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.929 107.8 48.6 -62.5 -44.2 23.3 8.6 11.5 117 127 A K H X S+ 0 0 139 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.921 110.0 51.1 -61.2 -43.8 25.1 9.9 8.3 118 128 A A H X S+ 0 0 8 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.883 110.7 49.8 -61.8 -38.9 24.2 6.7 6.4 119 129 A E H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.887 105.5 54.5 -68.1 -41.7 20.5 7.1 7.4 120 130 A A H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.916 111.1 48.1 -58.4 -41.0 20.2 10.7 6.4 121 131 A Q H X S+ 0 0 61 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.885 109.1 50.0 -68.7 -40.7 21.5 9.7 2.9 122 132 A A H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.868 112.2 51.8 -64.4 -33.8 19.1 6.7 2.6 123 133 A K H ><5S+ 0 0 86 -4,-2.2 3,-1.4 2,-0.2 -2,-0.2 0.939 107.4 49.7 -66.3 -49.5 16.4 9.2 3.6 124 134 A K H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 113.3 47.9 -59.5 -34.2 17.4 11.7 0.9 125 135 A E T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.502 105.4-132.4 -86.4 -2.6 17.3 8.8 -1.6 126 136 A K T < 5 - 0 0 148 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.900 39.7-179.0 52.1 46.2 13.9 7.7 -0.4 127 137 A L > < - 0 0 47 -5,-2.3 3,-3.0 4,-0.1 4,-0.2 -0.609 45.2 -58.0 -83.0 134.2 15.2 4.1 -0.3 128 138 A N G > S+ 0 0 48 -2,-0.3 3,-3.5 1,-0.3 -30,-0.1 -0.033 135.6 30.3 38.1-107.9 12.9 1.3 0.8 129 139 A I G 3 S+ 0 0 37 -32,-2.0 -1,-0.3 1,-0.3 -31,-0.1 0.810 121.9 54.5 -46.2 -35.3 11.7 2.1 4.3 130 140 A W G < 0 0 60 -3,-3.0 -1,-0.3 -33,-0.2 -2,-0.2 0.272 360.0 360.0 -85.8 12.2 11.9 5.8 3.4 131 141 A S < 0 0 104 -3,-3.5 -4,-0.1 -4,-0.2 -5,-0.1 -0.138 360.0 360.0 -68.8 360.0 9.7 5.2 0.3