==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ENDORIBONUCLEASE) 10-MAY-93 1GOC . COMPND 2 MOLECULE: RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ISHIKAWA,S.KIMURA,H.NAKAMURA,K.MORIKAWA,S.KANAYA . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 196 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.6 -19.0 -2.9 18.1 2 2 A L + 0 0 166 1,-0.0 2,-0.1 2,-0.0 0, 0.0 0.161 360.0 158.0 -68.5 28.5 -20.9 0.3 19.0 3 3 A K - 0 0 126 -2,-0.7 61,-0.1 1,-0.1 2,-0.1 -0.278 50.1-123.5 -75.0 135.2 -17.5 1.6 18.1 4 4 A Q - 0 0 67 -2,-0.1 61,-0.2 1,-0.1 2,-0.1 -0.433 41.3-102.0 -71.5 141.5 -16.0 4.8 16.9 5 5 A V E -a 65 0A 10 59,-1.7 61,-1.9 -2,-0.1 2,-0.5 -0.488 44.9-134.3 -58.8 140.8 -14.1 4.8 13.6 6 6 A E E -aB 66 27A 61 21,-2.9 21,-2.8 59,-0.2 2,-0.4 -0.938 24.5-175.2-114.2 132.0 -10.4 4.8 14.8 7 7 A I E -aB 67 26A 0 59,-2.4 61,-2.5 -2,-0.5 2,-0.4 -0.983 6.6-179.0-125.1 136.6 -7.8 7.1 13.2 8 8 A F E -aB 68 25A 12 17,-1.9 17,-2.4 -2,-0.4 2,-0.3 -0.975 14.3-175.9-132.7 133.5 -4.1 7.2 14.0 9 9 A T E + B 0 24A 1 59,-1.7 61,-0.4 -2,-0.4 2,-0.3 -0.975 14.5 173.4-139.0 159.0 -1.9 9.7 12.2 10 10 A D E + B 0 23A 10 13,-2.3 13,-2.1 -2,-0.3 2,-0.3 -0.933 3.5 179.6-159.2 141.5 1.8 10.7 11.9 11 11 A G E + B 0 22A 1 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.975 12.0 153.6-145.1 146.7 3.7 13.2 9.7 12 12 A S E - B 0 21A 19 9,-2.3 9,-2.5 -2,-0.3 2,-0.3 -0.965 25.8-132.7-162.0 173.3 7.4 14.2 9.4 13 13 A C E - B 0 20A 23 -2,-0.3 2,-1.1 7,-0.3 7,-0.2 -0.937 21.0-127.3-134.5 155.1 10.2 15.5 7.3 14 14 A L S S- 0 0 72 5,-2.1 2,-0.1 -2,-0.3 -2,-0.0 -0.830 100.7 -5.2-100.2 85.5 13.9 14.6 6.5 15 15 A G S S- 0 0 51 -2,-1.1 -1,-0.3 3,-0.2 3,-0.1 0.275 102.3 -85.1 93.9 135.9 15.2 18.0 7.4 16 16 A N S S+ 0 0 103 1,-0.3 27,-0.1 -3,-0.1 2,-0.1 -0.993 121.3 23.3-121.1 108.9 12.9 20.8 8.2 17 17 A P S S+ 0 0 49 0, 0.0 -1,-0.3 0, 0.0 26,-0.2 0.496 109.9 92.0 -83.1 149.0 11.9 22.1 5.8 18 18 A G E S- C 0 42A 3 24,-1.2 24,-2.3 -2,-0.1 -3,-0.2 -0.884 83.4 -25.1-173.9-166.0 12.5 19.2 3.3 19 19 A P E - 0 0 40 0, 0.0 -5,-2.1 0, 0.0 2,-0.3 -0.354 69.9-179.0 -58.0 141.0 10.8 16.2 1.7 20 20 A G E -BC 13 39A 0 19,-2.6 19,-2.8 -7,-0.2 2,-0.3 -0.841 11.8-170.1-138.6 170.5 8.0 15.2 4.1 21 21 A G E -BC 12 38A 0 -9,-2.5 -9,-2.3 -2,-0.3 2,-0.3 -0.963 9.0-143.2-157.6 165.5 5.4 12.4 4.2 22 22 A Y E -BC 11 37A 20 15,-1.8 15,-0.7 -2,-0.3 2,-0.3 -0.861 4.8-166.0-132.6 164.0 2.3 11.3 6.2 23 23 A G E +BC 10 36A 0 -13,-2.1 -13,-2.3 -2,-0.3 2,-0.3 -0.940 13.7 172.5-152.6 129.3 0.8 8.0 7.3 24 24 A A E -BC 9 35A 0 11,-1.9 11,-1.9 -2,-0.3 2,-0.4 -0.980 16.1-155.4-141.2 147.5 -2.7 7.6 8.6 25 25 A I E -BC 8 34A 0 -17,-2.4 -17,-1.9 -2,-0.3 2,-0.4 -0.999 4.1-165.6-129.5 128.9 -4.8 4.6 9.5 26 26 A L E -BC 7 33A 0 7,-2.3 7,-1.7 -2,-0.4 2,-0.4 -0.959 7.8-172.6-111.7 130.1 -8.6 4.5 9.5 27 27 A R E +BC 6 32A 63 -21,-2.8 -21,-2.9 -2,-0.4 5,-0.2 -0.944 25.1 127.8-134.6 108.7 -10.3 1.6 11.3 28 28 A Y + 0 0 76 3,-2.0 2,-2.2 -2,-0.4 -25,-0.1 0.136 64.0 16.0-121.0-124.0 -14.1 1.1 11.1 29 29 A R S S- 0 0 198 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.409 124.5 -61.8 -67.0 79.7 -16.3 -1.9 10.1 30 30 A G S S+ 0 0 84 -2,-2.2 2,-0.2 1,-0.2 -1,-0.2 0.176 117.4 103.3 62.7 -15.0 -13.7 -4.6 10.4 31 31 A R - 0 0 180 -2,-0.1 -3,-2.0 2,-0.0 2,-0.4 -0.650 54.4-158.3 -99.2 152.5 -11.7 -2.9 7.6 32 32 A E E -C 27 0A 75 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.974 4.9-169.0-140.8 119.8 -8.6 -0.7 7.8 33 33 A K E -C 26 0A 111 -7,-1.7 -7,-2.3 -2,-0.4 2,-0.3 -0.913 6.6-160.9-106.2 122.5 -7.5 1.7 5.2 34 34 A T E -C 25 0A 68 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.756 4.0-167.3-107.6 157.4 -4.1 3.3 5.3 35 35 A F E +C 24 0A 40 -11,-1.9 -11,-1.9 -2,-0.3 2,-0.3 -0.967 12.4 162.8-139.0 149.4 -3.0 6.5 3.5 36 36 A S E +C 23 0A 56 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.884 4.6 172.3-169.0 143.5 0.4 7.9 2.9 37 37 A A E -C 22 0A 16 -15,-0.7 -15,-1.8 -2,-0.3 2,-0.4 -0.953 20.9-137.7-154.9 148.7 1.9 10.5 0.5 38 38 A G E -C 21 0A 2 -2,-0.3 108,-1.7 106,-0.3 109,-0.8 -0.906 12.3-154.1-116.3 144.3 5.3 12.2 0.2 39 39 A Y E -Cd 20 147A 20 -19,-2.8 -19,-2.6 -2,-0.4 3,-0.2 -0.983 17.3-137.5-123.8 129.0 5.9 15.8 -0.6 40 40 A T E S+ 0 0 85 107,-2.1 2,-0.3 -2,-0.4 108,-0.1 0.831 91.0 5.5 -56.2 -39.3 9.0 17.2 -2.2 41 41 A R E S+ 0 0 134 106,-0.3 108,-0.5 -22,-0.1 -1,-0.2 -0.901 83.4 108.2-157.1 124.3 9.2 20.1 0.2 42 42 A T E -C 18 0A 0 -24,-2.3 -24,-1.2 -2,-0.3 2,-0.3 -0.791 52.9 -92.5-162.3-155.1 7.2 21.0 3.4 43 43 A T > - 0 0 28 -2,-0.2 4,-1.8 -26,-0.2 5,-0.2 -0.911 30.0-110.0-136.3 168.7 7.6 21.2 7.2 44 44 A N H > S+ 0 0 47 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.833 117.9 53.2 -61.0 -47.4 6.9 18.8 10.1 45 45 A N H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.968 109.1 49.6 -54.2 -53.7 4.0 20.9 11.3 46 46 A R H > S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.831 112.6 46.3 -53.9 -46.5 2.4 20.7 7.8 47 47 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.860 109.8 54.9 -67.1 -37.2 2.8 17.0 7.6 48 48 A E H X S+ 0 0 22 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.921 114.4 39.9 -62.9 -43.0 1.4 16.5 11.1 49 49 A L H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.914 110.2 58.5 -67.3 -51.8 -1.7 18.5 10.2 50 50 A M H 3X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.814 99.6 57.8 -53.8 -38.6 -2.1 16.9 6.7 51 51 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.898 109.2 45.5 -62.1 -39.9 -2.3 13.3 8.1 52 52 A A H < S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.3 4,-0.3 0.957 114.5 39.3 -59.0 -58.8 -7.9 10.9 7.2 56 56 A L H >< S+ 0 0 8 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.797 110.0 59.3 -62.3 -40.6 -11.1 12.8 8.3 57 57 A E T 3< S+ 0 0 73 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.593 97.8 64.5 -68.2 -10.2 -11.8 14.0 4.7 58 58 A A T < S+ 0 0 23 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.3 0.637 78.0 97.1 -85.1 -18.9 -12.0 10.3 3.8 59 59 A L < - 0 0 11 -3,-1.3 4,-0.1 -4,-0.3 3,-0.0 -0.579 52.2-171.3 -73.1 127.0 -15.1 9.6 6.0 60 60 A K + 0 0 164 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.440 66.5 50.6-100.7 4.6 -18.1 9.7 3.9 61 61 A E S S- 0 0 108 0, 0.0 2,-0.4 0, 0.0 53,-0.0 -0.945 99.8 -86.6-140.9 148.6 -20.6 9.5 6.8 62 62 A H - 0 0 135 -2,-0.3 2,-0.3 53,-0.1 53,-0.1 -0.411 60.6-173.3 -55.4 112.7 -21.1 11.4 10.0 63 63 A C - 0 0 13 -2,-0.4 53,-2.1 -4,-0.1 2,-0.6 -0.715 35.7-130.5-115.6 171.7 -18.8 9.5 12.4 64 64 A E E - e 0 116A 86 -2,-0.3 -59,-1.7 51,-0.2 2,-0.4 -0.963 45.1-164.3-110.2 113.8 -17.9 9.4 16.0 65 65 A V E -ae 5 117A 3 51,-4.0 53,-2.2 -2,-0.6 2,-0.6 -0.931 30.3-162.5-117.2 140.9 -14.1 9.4 15.9 66 66 A I E -ae 6 118A 17 -61,-1.9 -59,-2.4 -2,-0.4 2,-0.6 -0.978 20.6-167.4-113.7 114.2 -11.2 8.7 18.2 67 67 A L E -ae 7 119A 0 51,-3.3 53,-2.3 -2,-0.6 2,-0.5 -0.953 1.1-166.2-111.1 114.5 -8.1 10.4 16.8 68 68 A S E +ae 8 120A 3 -61,-2.5 -59,-1.7 -2,-0.6 2,-0.3 -0.880 20.7 149.9-101.5 122.1 -4.8 9.4 18.3 69 69 A T E - e 0 121A 4 51,-2.0 53,-1.7 -2,-0.5 -59,-0.1 -0.994 44.2-149.3-152.1 149.2 -1.7 11.4 17.5 70 70 A D + 0 0 52 -61,-0.4 2,-0.6 -2,-0.3 54,-0.1 0.040 55.7 136.4 -95.2 11.1 1.6 12.4 19.2 71 71 A S > - 0 0 0 1,-0.2 4,-2.1 -62,-0.1 5,-0.2 -0.569 40.0-167.8 -75.8 119.0 1.6 15.7 17.4 72 72 A Q H > S+ 0 0 134 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.882 88.2 58.8 -68.1 -39.0 2.6 18.6 19.6 73 73 A Y H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 111.0 36.9 -61.6 -47.8 1.4 21.0 16.9 74 74 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.1 5,-0.3 0.901 116.2 54.1 -73.2 -37.3 -2.2 19.7 16.8 75 75 A R H X S+ 0 0 93 -4,-2.1 4,-2.2 1,-0.2 5,-0.4 0.937 108.2 51.1 -59.9 -48.9 -2.4 19.1 20.5 76 76 A Q H X S+ 0 0 75 -4,-2.5 4,-1.5 1,-0.2 6,-0.3 0.915 113.7 43.1 -46.3 -61.6 -1.3 22.8 21.1 77 77 A A H <>S+ 0 0 1 -4,-1.5 5,-2.0 -5,-0.2 6,-0.6 0.876 119.3 41.9 -57.6 -50.1 -4.0 24.2 18.8 78 78 A I H ><5S+ 0 0 40 -4,-2.8 3,-2.0 3,-0.2 -2,-0.2 0.989 116.1 44.7 -64.8 -66.5 -6.8 22.0 20.0 79 79 A T H 3<5S+ 0 0 86 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.858 118.1 46.7 -49.0 -33.7 -6.2 22.0 23.8 80 80 A Q T 3<5S- 0 0 108 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.500 107.4-124.3 -93.9 1.6 -5.6 25.8 23.7 81 80BA G T <>5 + 0 0 19 -3,-2.0 4,-1.4 -4,-0.4 3,-0.3 0.767 57.1 149.9 64.7 34.8 -8.6 26.6 21.5 82 81 A W H >< + 0 0 58 -5,-2.0 4,-2.6 -6,-0.3 5,-0.2 0.839 67.0 56.5 -65.8 -35.7 -6.6 28.4 18.9 83 82 A I H > S+ 0 0 8 -6,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.868 106.9 49.3 -61.1 -39.5 -9.0 27.4 16.1 84 83 A H H > S+ 0 0 116 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.831 112.2 50.0 -66.0 -35.0 -11.9 29.1 17.9 85 84 A N H >X S+ 0 0 74 -4,-1.4 4,-1.2 2,-0.2 3,-0.6 0.978 114.3 42.8 -62.1 -62.4 -9.8 32.2 18.4 86 85 A W H 3<>S+ 0 0 37 -4,-2.6 5,-4.3 1,-0.2 6,-0.5 0.798 109.7 56.3 -49.4 -46.4 -8.8 32.4 14.7 87 86 A K H ><5S+ 0 0 88 -4,-2.1 3,-1.2 3,-0.2 -1,-0.2 0.883 104.6 53.7 -60.2 -41.4 -12.2 31.7 13.4 88 87 A K H <<5S+ 0 0 167 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.789 112.5 43.3 -68.9 -28.1 -13.7 34.6 15.3 89 88 A R T 3<5S- 0 0 150 -4,-1.2 3,-0.3 3,-0.1 -1,-0.3 0.123 123.8-100.5-105.5 24.9 -11.2 37.0 13.9 90 89 A G T < 5S- 0 0 46 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.848 70.6 -62.0 66.3 32.8 -11.5 35.7 10.4 91 90 A W S - 0 0 42 4,-2.9 3,-2.3 -2,-0.3 6,-0.0 -0.311 42.9 -80.5 -93.1-174.0 -3.6 37.4 13.7 94 93 A A T 3 S+ 0 0 102 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.852 131.2 57.5 -44.6 -55.5 -2.9 40.6 15.6 95 94 A D T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.424 116.9-116.8 -53.4 -20.3 -0.8 41.8 12.7 96 95 A K S < S+ 0 0 162 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.628 74.8 137.1 74.7 17.0 -3.9 41.4 10.5 97 96 A K - 0 0 96 1,-0.1 -4,-2.9 3,-0.0 -1,-0.3 -0.625 65.9 -95.4 -89.5 150.2 -1.7 38.7 8.7 98 97 A P B -F 92 0B 84 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.393 50.2 -98.6 -65.9 143.7 -3.3 35.4 7.7 99 98 A V > - 0 0 6 -8,-1.8 3,-2.0 1,-0.1 4,-0.2 -0.313 46.5 -92.7 -64.0 146.5 -2.7 32.7 10.3 100 99 A K T 3 S+ 0 0 103 1,-0.3 5,-0.1 2,-0.1 -1,-0.1 -0.312 110.3 5.5 -59.4 136.4 0.2 30.3 9.5 101 100 A N T >> S+ 0 0 21 50,-0.2 4,-1.7 1,-0.1 3,-1.6 0.681 81.6 157.0 57.7 26.4 -0.9 27.2 7.6 102 101 A V H <> + 0 0 33 -3,-2.0 4,-2.2 1,-0.3 5,-0.2 0.756 65.4 63.9 -48.9 -33.8 -4.4 28.7 7.4 103 102 A D H 3> S+ 0 0 50 1,-0.2 4,-1.2 -4,-0.2 -1,-0.3 0.919 109.0 38.4 -56.5 -44.2 -5.0 26.5 4.3 104 103 A L H <> S+ 0 0 2 -3,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.848 112.9 54.7 -78.0 -36.4 -4.7 23.3 6.5 105 104 A W H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.848 107.1 51.8 -67.6 -38.8 -6.5 24.7 9.6 106 105 A Q H X S+ 0 0 86 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.928 110.2 49.9 -57.2 -49.7 -9.5 25.6 7.5 107 106 A R H X S+ 0 0 94 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.902 113.4 44.8 -55.5 -50.8 -9.6 22.1 6.1 108 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.952 112.4 50.5 -61.8 -51.9 -9.4 20.6 9.6 109 108 A D H X S+ 0 0 33 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.904 107.1 55.7 -53.2 -44.6 -12.0 22.9 11.1 110 109 A A H < S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.4 44.1 -55.5 -39.0 -14.3 22.0 8.1 111 110 A A H >X S+ 0 0 11 -4,-1.7 3,-1.0 -3,-0.3 4,-0.9 0.727 106.1 60.9 -75.9 -31.3 -13.9 18.3 9.1 112 111 A L H 3< S+ 0 0 39 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.879 97.5 61.5 -62.4 -40.9 -14.4 19.0 12.8 113 112 A G T 3< S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.566 104.6 45.2 -66.2 -10.3 -17.8 20.4 12.1 114 113 A Q T <4 S+ 0 0 111 -3,-1.0 2,-0.2 -4,-0.1 -1,-0.2 0.701 111.2 49.4-106.8 -23.2 -19.2 17.1 10.7 115 114 A H S < S- 0 0 33 -4,-0.9 2,-0.7 -3,-0.4 -51,-0.2 -0.726 71.7-123.7-118.6 165.8 -18.0 14.7 13.2 116 115 A Q E -e 64 0A 135 -53,-2.1 -51,-4.0 -2,-0.2 2,-0.3 -0.931 42.3-171.2-108.7 111.6 -17.8 14.0 16.9 117 116 A I E -e 65 0A 44 -2,-0.7 2,-0.5 -53,-0.2 -51,-0.2 -0.826 25.3-164.3-118.8 152.9 -14.1 13.5 17.9 118 117 A K E -e 66 0A 128 -53,-2.2 -51,-3.3 -2,-0.3 2,-0.3 -0.993 21.1-145.1-132.5 118.1 -12.1 12.5 20.8 119 118 A W E -e 67 0A 43 -2,-0.5 2,-0.5 -53,-0.2 -51,-0.2 -0.611 9.2-164.7 -86.0 139.9 -8.5 13.3 20.7 120 119 A E E -e 68 0A 79 -53,-2.3 -51,-2.0 -2,-0.3 2,-0.6 -0.939 9.9-153.3-130.4 108.0 -6.0 10.9 22.2 121 120 A W E -e 69 0A 80 -2,-0.5 2,-0.3 -53,-0.2 -51,-0.2 -0.786 15.2-162.6 -87.1 117.9 -2.6 12.5 22.7 122 121 A V - 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