==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-01 1JOK . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.WANG,D.M.TRUCKSES,F.ABILDGAARD,Z.DZAKULA,Z.ZOLNAI, . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 20.1 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 0 1 0 0 0 0 0 0 2 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 . 3 2 0 1 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 . 0 0 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 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 A 0 0 124 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.8 137.5 -5.0 -17.6 2 2 A T + 0 0 152 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.812 360.0 24.4 -66.5 -25.7 138.6 -5.5 -21.2 3 3 A S S S- 0 0 74 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.869 88.9-104.1-133.2 168.2 135.7 -7.9 -21.7 4 4 A T + 0 0 119 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.755 47.5 145.7 -95.2 139.3 132.2 -8.4 -20.2 5 5 A K - 0 0 172 2,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.448 68.9 -18.0-133.5 -76.9 131.7 -11.3 -17.8 6 6 A K S S- 0 0 181 1,-0.3 2,-0.1 71,-0.0 -2,-0.0 0.641 113.0 -16.2-105.0 -96.4 129.3 -10.8 -14.8 7 7 A L - 0 0 33 -3,-0.1 -2,-0.5 71,-0.0 2,-0.5 -0.235 67.8-106.7 -99.0-166.7 128.3 -7.3 -13.8 8 8 A H E -A 76 0A 81 68,-0.8 68,-0.8 69,-0.1 2,-0.2 -0.769 30.2-162.9-127.2 89.5 130.0 -3.9 -14.6 9 9 A K E +A 75 0A 119 -2,-0.5 66,-0.2 66,-0.2 64,-0.0 -0.477 19.5 170.5 -71.0 138.2 131.9 -2.5 -11.6 10 10 A E E -A 74 0A 38 64,-1.9 64,-2.2 -2,-0.2 2,-0.1 -0.940 33.0 -98.6-144.4 166.9 132.7 1.2 -12.1 11 11 A P E -A 73 0A 85 0, 0.0 2,-0.3 0, 0.0 17,-0.3 -0.298 36.7-172.8 -80.4 166.4 134.0 4.2 -10.1 12 12 A A E -A 72 0A 12 60,-1.5 60,-0.6 15,-0.1 2,-0.5 -0.991 19.9-135.3-157.2 160.2 131.8 6.9 -8.4 13 13 A T - 0 0 85 13,-0.9 14,-0.0 -2,-0.3 60,-0.0 -0.931 24.0-128.9-126.9 112.8 132.1 10.2 -6.6 14 14 A L + 0 0 37 -2,-0.5 11,-0.2 11,-0.2 3,-0.0 -0.266 35.7 164.5 -55.6 139.3 130.1 10.8 -3.5 15 15 A I - 0 0 79 9,-2.1 2,-0.3 17,-0.1 10,-0.2 0.644 60.9 -17.8-123.9 -61.1 128.2 14.1 -3.8 16 16 A K E -D 24 0B 138 8,-2.0 8,-2.0 0, 0.0 2,-0.3 -0.833 55.6-146.6-156.5 114.5 125.4 14.5 -1.2 17 17 A A E +D 23 0B 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.599 19.9 172.0 -81.5 140.1 123.8 11.7 0.9 18 18 A I + 0 0 75 4,-2.1 2,-0.2 1,-0.3 5,-0.2 0.756 61.5 3.3-113.8 -53.5 120.1 12.2 1.7 19 19 A D S S- 0 0 36 3,-1.8 -1,-0.3 40,-0.1 3,-0.1 -0.568 81.9 -92.8-122.9-170.9 118.8 9.0 3.3 20 20 A G S S+ 0 0 0 1,-0.2 16,-0.1 -2,-0.2 83,-0.1 0.912 128.3 27.4 -73.9 -40.5 120.3 5.6 4.4 21 21 A D S S+ 0 0 0 1,-0.1 15,-0.9 14,-0.1 2,-0.5 0.232 115.7 75.0-103.8 14.4 119.5 3.9 1.1 22 22 A T E + E 0 35B 14 13,-0.2 -4,-2.1 -3,-0.1 -3,-1.8 -0.934 51.3 153.3-130.2 113.3 119.6 7.1 -0.9 23 23 A V E -DE 17 34B 3 11,-1.8 11,-1.3 -2,-0.5 2,-0.6 -0.953 34.5-139.7-141.7 121.0 123.0 8.8 -1.7 24 24 A K E +DE 16 33B 91 -8,-2.0 -9,-2.1 -2,-0.4 -8,-2.0 -0.666 35.6 162.4 -81.3 121.3 123.7 11.0 -4.7 25 25 A L E - E 0 32B 0 7,-1.7 7,-1.8 -2,-0.6 2,-0.5 -0.358 41.1 -91.9-119.1-158.0 127.1 10.2 -6.2 26 26 A M E + E 0 31B 54 5,-0.2 -13,-0.9 -2,-0.1 2,-0.4 -0.951 38.2 177.2-127.2 115.9 128.8 11.0 -9.5 27 27 A Y E > S- E 0 30B 15 3,-2.2 3,-2.0 -2,-0.5 -15,-0.1 -0.958 74.2 -4.1-119.7 131.3 128.6 8.4 -12.4 28 28 A K T 3 S- 0 0 133 -2,-0.4 -1,-0.1 -17,-0.3 -16,-0.1 0.614 128.7 -63.9 67.2 7.1 130.1 9.0 -15.9 29 29 A G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 -16,-0.0 -17,-0.0 0.343 117.0 104.8 97.9 -8.1 131.0 12.5 -14.5 30 30 A Q E < S-E 27 0B 108 -3,-2.0 -3,-2.2 1,-0.0 -1,-0.4 -0.752 77.2-103.1-107.3 157.4 127.4 13.5 -14.1 31 31 A P E +E 26 0B 91 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.482 50.4 154.5 -75.3 141.0 125.3 13.8 -10.9 32 32 A M E -E 25 0B 48 -7,-1.8 -7,-1.7 -2,-0.2 2,-0.3 -0.992 38.5-115.3-162.1 160.8 122.9 11.0 -10.1 33 33 A T E -E 24 0B 30 -2,-0.3 55,-2.4 53,-0.3 2,-0.4 -0.802 25.2-160.8-104.5 146.4 121.1 9.3 -7.2 34 34 A F E -Ef 23 88B 1 -11,-1.3 -11,-1.8 -2,-0.3 2,-0.5 -0.957 4.0-155.2-126.6 145.2 121.7 5.7 -6.2 35 35 A R E -Ef 22 89B 44 53,-1.8 55,-0.6 -2,-0.4 -13,-0.2 -0.962 28.4-113.0-122.6 124.0 119.5 3.3 -4.1 36 36 A L E > - f 0 90B 7 -15,-0.9 3,-0.6 -2,-0.5 2,-0.2 -0.236 37.4-133.0 -51.3 132.0 121.0 0.3 -2.2 37 37 A L T 3 S+ 0 0 17 53,-0.6 3,-0.1 1,-0.2 77,-0.1 -0.608 81.5 15.0 -90.5 153.0 119.6 -2.8 -3.8 38 38 A L T 3 S+ 0 0 0 75,-0.6 74,-0.5 -2,-0.2 2,-0.3 0.634 115.1 88.0 64.0 9.6 118.1 -5.7 -1.9 39 39 A V < - 0 0 1 -3,-0.6 2,-0.3 72,-0.3 72,-0.2 -0.928 53.8-170.1-135.8 162.0 117.9 -3.4 1.2 40 40 A D B -H 110 0C 31 70,-1.6 70,-1.6 -2,-0.3 -3,-0.0 -0.983 21.3-123.6-152.7 138.8 115.5 -0.9 2.6 41 41 A T - 0 0 7 -2,-0.3 2,-1.8 68,-0.2 68,-0.2 -0.375 35.5-102.2 -79.6 164.3 115.7 1.7 5.4 42 42 A P S S- 0 0 23 0, 0.0 12,-0.2 0, 0.0 -1,-0.1 -0.451 80.5 -63.1 -83.1 63.3 113.3 1.7 8.4 43 43 A E + 0 0 130 -2,-1.8 8,-0.2 1,-0.1 3,-0.2 0.928 67.9 172.5 55.6 93.4 111.1 4.6 7.1 44 44 A T + 0 0 9 -3,-0.1 -1,-0.1 1,-0.1 -24,-0.0 -0.165 29.2 131.3-124.4 40.6 113.4 7.6 7.0 45 45 A K - 0 0 138 -26,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.788 50.7-155.4 -64.6 -22.7 111.2 10.2 5.2 46 46 A H + 0 0 114 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.940 21.6 173.8 42.6 73.8 112.2 12.7 7.9 47 47 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.873 62.7 -56.6 -77.7 -43.0 109.0 14.8 7.6 48 48 A K S S+ 0 0 173 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.038 127.5 17.3-163.7 -82.6 109.7 17.1 10.6 49 49 A K S S- 0 0 166 1,-0.1 3,-0.3 2,-0.0 6,-0.1 0.522 96.2-140.1 -86.4 -3.0 110.3 15.8 14.1 50 50 A G - 0 0 13 1,-0.2 -1,-0.1 2,-0.1 -6,-0.1 0.062 36.6 -70.7 65.9 172.6 110.9 12.3 12.7 51 51 A V - 0 0 69 -8,-0.2 -1,-0.2 1,-0.1 -7,-0.0 0.616 59.2-127.8 -76.6 -8.6 109.6 9.2 14.5 52 52 A E S S+ 0 0 132 -3,-0.3 -2,-0.1 1,-0.1 -1,-0.1 0.757 91.6 73.7 69.7 20.1 112.1 9.8 17.3 53 53 A K S S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.517 114.7 -6.0-125.5 -80.6 113.3 6.2 16.9 54 54 A Y S > S+ 0 0 36 -12,-0.2 4,-0.7 -11,-0.1 3,-0.4 0.097 101.8 108.8-108.5 22.7 115.3 5.3 13.8 55 55 A G H >> S+ 0 0 6 1,-0.3 2,-1.7 2,-0.1 4,-0.6 0.951 82.9 27.4 -59.2 -89.3 115.0 8.7 12.2 56 56 A P H 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -12,-0.0 -0.550 111.8 68.4 -76.1 82.4 118.4 10.3 12.4 57 57 A E H 3> S+ 0 0 76 -2,-1.7 4,-1.6 -3,-0.4 -2,-0.1 0.228 93.4 40.7-161.0 -56.9 120.6 7.2 12.5 58 58 A A H >S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.6 0.900 106.4 66.6 -63.0 -37.3 123.9 9.7 8.8 61 61 A F H X5S+ 0 0 53 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.954 110.7 33.8 -48.7 -54.4 125.3 6.1 9.1 62 62 A T H X5S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 5,-0.4 0.794 114.0 65.0 -73.8 -25.0 125.9 6.0 5.3 63 63 A K H X5S+ 0 0 87 -4,-1.7 4,-1.8 -5,-0.4 -2,-0.2 0.997 111.6 29.8 -60.5 -70.6 126.6 9.7 5.2 64 64 A K H X5S+ 0 0 119 -4,-2.0 4,-1.9 2,-0.2 5,-0.3 0.868 117.6 65.8 -58.3 -32.8 129.8 9.7 7.3 65 65 A M H >X - 0 0 63 4,-1.7 3,-1.3 -2,-0.3 -2,-0.1 -0.127 45.2 -84.8 -88.7-168.3 114.2 2.0 -11.8 84 84 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.637 128.8 60.1 -75.0 -10.2 111.0 3.8 -12.8 85 85 A Y T 3 S- 0 0 150 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.391 117.7-111.1 -96.5 4.4 112.2 6.8 -10.8 86 86 A G S < S+ 0 0 51 -3,-1.3 -53,-0.3 1,-0.3 2,-0.2 0.697 70.2 147.8 75.9 15.3 115.3 7.2 -12.9 87 87 A R - 0 0 63 -55,-0.1 -4,-1.7 1,-0.1 2,-0.4 -0.590 51.4-118.8 -84.2 146.4 117.4 6.0 -9.9 88 88 A G E -fG 34 82B 0 -55,-2.4 -53,-1.8 -2,-0.2 2,-0.6 -0.695 24.4-152.2 -85.6 130.1 120.6 4.1 -10.5 89 89 A L E +f 35 0B 4 -8,-2.1 -12,-0.4 -2,-0.4 2,-0.3 -0.886 41.1 110.2-106.2 121.8 120.5 0.6 -9.0 90 90 A A E -f 36 0B 2 -55,-0.6 2,-0.6 -2,-0.6 -53,-0.6 -0.977 67.1 -85.0-170.3 177.2 123.8 -1.0 -8.0 91 91 A Y E -B 75 0A 0 -16,-1.0 -16,-0.5 -2,-0.3 2,-0.4 -0.868 36.8-144.0-103.1 119.2 126.0 -2.1 -5.0 92 92 A I E -B 74 0A 3 -2,-0.6 7,-1.9 -18,-0.2 8,-0.7 -0.637 13.8-162.9 -81.4 132.1 128.1 0.7 -3.5 93 93 A Y E -BC 73 98A 23 -20,-1.7 -20,-1.6 -2,-0.4 2,-0.5 -0.950 3.7-168.2-118.7 121.3 131.5 -0.4 -2.2 94 94 A A E > S-BC 72 97A 1 3,-1.7 3,-0.7 -2,-0.5 -22,-0.2 -0.915 76.6 -7.1-110.8 124.4 133.4 1.8 0.2 95 95 A D T 3 S- 0 0 94 -24,-1.0 -1,-0.2 -2,-0.5 3,-0.1 0.828 131.7 -56.5 66.2 27.9 137.1 0.9 0.9 96 96 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.756 118.0 113.7 75.5 21.1 136.7 -2.3 -1.1 97 97 A K E < S-C 94 0A 115 -3,-0.7 -3,-1.7 4,-0.0 2,-1.0 -0.898 78.1-104.6-124.1 155.1 133.8 -3.3 1.2 98 98 A M E >> -C 93 0A 14 -2,-0.3 4,-1.7 -5,-0.2 3,-0.7 -0.638 26.9-164.4 -79.8 103.9 130.0 -3.8 0.4 99 99 A V H 3> S+ 0 0 2 -7,-1.9 4,-2.1 -2,-1.0 3,-0.4 0.946 89.7 60.0 -53.7 -47.2 128.4 -0.7 2.0 100 100 A N H 3> S+ 0 0 0 -8,-0.7 4,-1.9 1,-0.3 -1,-0.3 0.901 104.4 51.0 -49.1 -39.3 125.0 -2.4 1.8 101 101 A E H <> S+ 0 0 51 -3,-0.7 4,-1.7 1,-0.2 -1,-0.3 0.904 103.6 58.3 -67.1 -37.6 126.5 -5.1 4.0 102 102 A A H X S+ 0 0 16 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.939 105.1 50.3 -58.2 -44.5 127.7 -2.5 6.5 103 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 6,-0.5 0.969 110.5 47.6 -59.5 -51.4 124.1 -1.3 7.0 104 104 A V H <5S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.795 108.6 59.0 -61.2 -22.8 122.8 -4.8 7.6 105 105 A R H <5S+ 0 0 132 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 108.9 40.8 -73.7 -39.4 125.8 -5.2 10.0 106 106 A Q T <5S- 0 0 83 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.323 113.3-119.9 -89.7 10.9 124.6 -2.2 12.1 107 107 A G T 5S+ 0 0 0 -3,-0.5 32,-1.0 -4,-0.3 33,-0.3 0.950 78.8 123.2 52.8 49.8 121.0 -3.5 11.8 108 108 A L < + 0 0 5 -5,-2.0 2,-0.4 1,-0.3 -4,-0.2 0.674 69.0 33.6-111.3 -27.1 119.9 -0.2 10.1 109 109 A A S S- 0 0 0 -6,-0.5 -1,-0.3 -68,-0.2 2,-0.2 -0.987 71.2-152.7-132.8 128.5 118.5 -1.5 6.8 110 110 A K B -H 40 0C 92 -70,-1.6 -70,-1.6 -2,-0.4 -6,-0.0 -0.668 36.1 -90.1 -97.8 155.2 116.7 -4.8 6.4 111 111 A V + 0 0 29 -2,-0.2 -72,-0.3 -72,-0.2 2,-0.3 -0.355 66.8 138.0 -61.5 137.3 116.6 -6.8 3.1 112 112 A A + 0 0 24 -74,-0.5 -74,-0.1 1,-0.2 -71,-0.0 -0.986 33.9 55.3-169.1 169.9 113.6 -5.7 0.9 113 113 A Y + 0 0 137 -2,-0.3 2,-0.7 1,-0.2 -75,-0.6 0.995 60.9 175.2 59.7 63.5 112.6 -4.9 -2.6 114 114 A V + 0 0 55 -3,-0.1 2,-0.4 -76,-0.1 -1,-0.2 -0.863 7.5 156.8-106.1 108.5 113.7 -8.2 -4.2 115 115 A Y B > -I 118 0D 156 -2,-0.7 3,-1.3 3,-0.7 -77,-0.0 -0.961 40.0 -83.3-134.0 119.9 112.7 -8.5 -7.9 116 116 A K T 3 S+ 0 0 178 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.244 104.3 19.8 -60.9 154.5 114.6 -10.8 -10.3 117 117 A P T 3 S+ 0 0 66 0, 0.0 2,-2.1 0, 0.0 -39,-0.3 -0.972 112.0 74.4 -89.6 8.5 116.9 -10.8 -11.9 118 118 A N B < S+I 115 0D 18 -3,-1.3 -3,-0.7 1,-0.2 -80,-0.1 -0.478 75.9 84.7 -76.7 80.1 118.2 -8.0 -9.7 119 119 A N > + 0 0 40 -2,-2.1 3,-1.5 -5,-0.1 4,-0.3 0.136 37.6 124.6-165.3 27.7 119.1 -10.2 -6.7 120 120 A T T > S+ 0 0 63 -3,-0.3 3,-0.6 1,-0.3 4,-0.3 0.906 85.8 43.4 -64.1 -38.5 122.6 -11.7 -7.3 121 121 A H T 3> S+ 0 0 43 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.108 85.9 101.2 -93.3 25.0 123.9 -10.2 -4.0 122 122 A E H <> S+ 0 0 45 -3,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.781 75.8 57.1 -78.9 -24.9 120.7 -11.3 -2.2 123 123 A Q H <> S+ 0 0 119 -3,-0.6 4,-2.0 -4,-0.3 5,-0.4 0.965 108.5 43.4 -70.7 -50.9 122.4 -14.4 -0.7 124 124 A L H > S+ 0 0 61 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.930 116.6 47.7 -61.4 -42.6 125.2 -12.4 1.0 125 125 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.759 109.8 57.4 -70.8 -20.6 122.6 -9.8 2.2 126 126 A R H X S+ 0 0 160 -4,-1.0 4,-2.1 -3,-0.2 5,-0.2 0.991 109.3 38.5 -73.4 -65.3 120.4 -12.6 3.4 127 127 A K H X S+ 0 0 146 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.858 116.8 56.5 -54.5 -31.5 122.7 -14.5 5.8 128 128 A S H X S+ 0 0 14 -4,-1.5 4,-2.1 -5,-0.4 3,-0.2 0.963 103.5 50.7 -66.7 -49.3 123.9 -11.0 6.9 129 129 A E H X S+ 0 0 38 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.916 107.7 54.8 -55.8 -40.6 120.4 -9.8 7.8 130 130 A A H X S+ 0 0 55 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.915 106.1 51.5 -61.1 -39.0 120.0 -13.0 9.9 131 131 A Q H X S+ 0 0 121 -4,-1.6 4,-1.6 -3,-0.2 -1,-0.2 0.903 106.3 54.5 -65.5 -37.0 123.2 -12.1 11.8 132 132 A A H X>S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 5,-1.0 0.891 104.0 56.2 -64.3 -35.5 121.8 -8.6 12.5 133 133 A K H ><5S+ 0 0 118 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.968 111.0 41.3 -61.7 -50.3 118.7 -10.2 14.0 134 134 A K H 3<5S+ 0 0 162 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 113.3 56.6 -69.0 -21.0 120.8 -12.2 16.5 135 135 A E H 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.662 97.9-144.1 -83.5 -14.6 122.9 -9.1 17.0 136 136 A K T <<5 + 0 0 113 -4,-1.1 2,-1.1 -3,-0.9 -3,-0.2 0.977 26.8 179.1 50.5 63.0 119.9 -7.0 17.9 137 137 A L > < - 0 0 33 -5,-1.0 2,-0.8 -33,-0.1 3,-0.6 -0.684 55.2 -72.4 -99.8 86.4 121.1 -3.9 16.2 138 138 A N G > S+ 0 0 43 -2,-1.1 3,-1.0 1,-0.3 4,-0.3 -0.522 133.8 43.7 69.1-106.7 118.4 -1.3 16.7 139 139 A I G 3 S+ 0 0 38 -32,-1.0 2,-1.1 -2,-0.8 -1,-0.3 0.856 112.1 58.4 -38.5 -42.1 115.5 -2.4 14.4 140 140 A W G < S+ 0 0 33 -3,-0.6 -1,-0.3 -33,-0.3 -2,-0.2 -0.160 89.4 86.8 -85.2 46.7 116.1 -5.9 15.6 141 141 A S S < S+ 0 0 72 -2,-1.1 -2,-0.1 -3,-1.0 -1,-0.1 0.736 88.4 17.0-106.5 -81.9 115.5 -4.9 19.3 142 142 A E - 0 0 129 -4,-0.3 -1,-0.1 2,-0.1 -6,-0.0 -0.066 62.6-152.0 -80.2-170.9 111.9 -5.0 20.4 143 143 A D + 0 0 148 -3,-0.1 2,-0.3 0, 0.0 -3,-0.0 -0.299 55.8 59.4-164.8 70.5 109.1 -6.9 18.5 144 144 A N - 0 0 97 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.953 69.8-114.2 177.0 165.3 105.6 -5.5 18.8 145 145 A A S S+ 0 0 107 -2,-0.3 2,-0.3 0, 0.0 3,-0.1 -0.647 73.4 94.5-118.4 76.9 103.4 -2.4 18.3 146 146 A D S S+ 0 0 121 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.962 75.3 16.1-162.0 142.5 102.4 -1.2 21.7 147 147 A S S S+ 0 0 106 -2,-0.3 -1,-0.2 1,-0.1 0, 0.0 0.993 78.2 124.8 57.0 71.5 103.6 1.4 24.3 148 148 A G 0 0 68 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.073 360.0 360.0-151.7 41.6 105.9 3.4 22.0 149 149 A Q 0 0 224 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.329 360.0 360.0-138.0 360.0 104.9 7.0 22.1