==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ENDORIBONUCLEASE) 16-FEB-93 1RBS . COMPND 2 MOLECULE: RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ISHIKAWA,S.KIMURA,S.KANAYA,K.MORIKAWA,H.NAKAMURA . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 68.4 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 . 23 14.8 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 . 1 0.6 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 0 1 0 0 1 0 1 0 2 0 0 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 0 1 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 0 188 0, 0.0 2,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 126.2 -17.7 -4.5 18.3 2 2 A L - 0 0 89 27,-0.4 27,-0.2 1,-0.1 4,-0.0 -0.542 360.0-147.4 -76.8 142.0 -16.3 -1.2 19.7 3 3 A K S S+ 0 0 182 -2,-0.2 2,-0.3 2,-0.1 61,-0.2 0.403 86.5 49.4 -87.1 -0.3 -18.9 1.3 20.8 4 4 A Q S S- 0 0 64 59,-0.1 2,-0.4 23,-0.0 61,-0.2 -0.988 90.1-116.2-139.6 137.9 -16.5 4.1 19.9 5 5 A V E -a 65 0A 15 59,-2.4 61,-1.5 -2,-0.3 2,-0.5 -0.679 33.4-149.4 -71.6 127.5 -14.5 4.5 16.6 6 6 A E E -aB 66 27A 51 21,-1.6 21,-3.5 -2,-0.4 2,-0.4 -0.891 15.2-174.6-109.1 133.1 -10.8 4.3 17.5 7 7 A I E -aB 67 26A 1 59,-2.2 61,-3.1 -2,-0.5 2,-0.4 -0.976 6.3-176.6-126.1 133.0 -8.2 6.3 15.5 8 8 A F E -aB 68 25A 12 17,-2.2 17,-2.7 -2,-0.4 2,-0.3 -0.994 13.2-179.6-129.3 133.1 -4.4 6.2 15.8 9 9 A T E + B 0 24A 1 59,-1.6 61,-0.5 -2,-0.4 2,-0.3 -0.984 14.5 160.9-143.1 155.1 -2.1 8.4 13.8 10 10 A D E - B 0 23A 13 13,-1.9 13,-2.3 -2,-0.3 2,-0.3 -0.976 11.7-165.5-160.5 158.1 1.5 9.3 13.1 11 11 A G E - B 0 22A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.971 5.8-171.5-148.0 160.1 3.5 11.0 10.4 12 12 A S E - B 0 21A 22 9,-2.4 9,-2.3 -2,-0.3 2,-0.3 -0.964 4.8-171.0-153.8 156.7 7.2 11.1 9.6 13 13 A C E - B 0 20A 21 -2,-0.3 7,-0.2 7,-0.3 31,-0.1 -0.961 20.6-148.6-159.0 138.3 9.6 13.0 7.3 14 14 A L S S+ 0 0 109 5,-2.5 2,-0.2 -2,-0.3 6,-0.1 0.644 81.1 4.6 -83.1 -16.2 13.3 12.6 6.4 15 15 A G S > S- 0 0 33 4,-0.4 3,-0.6 27,-0.1 29,-0.2 -0.837 85.1 -82.7-152.2-174.1 13.9 16.3 5.7 16 16 A N T 3 S+ 0 0 136 1,-0.9 27,-0.1 -2,-0.2 2,-0.1 -0.671 131.6 3.0-135.2 83.2 12.4 19.8 5.7 17 17 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.9 0, 0.0 26,-0.2 0.616 114.1 117.8 -85.9 169.3 11.2 19.4 3.1 18 18 A G E < - C 0 42A 8 24,-1.8 24,-3.3 -3,-0.6 21,-0.1 -0.916 69.7 -47.9-170.9-179.9 11.9 15.8 2.1 19 19 A P E + 0 0 50 0, 0.0 -5,-2.5 0, 0.0 -4,-0.4 -0.356 67.6 163.8 -64.3 140.3 10.2 12.5 1.4 20 20 A G E -BC 13 39A 0 19,-2.7 19,-3.4 -7,-0.2 2,-0.3 -0.954 17.7-171.2-155.3 167.6 7.7 11.7 4.1 21 21 A G E -BC 12 38A 0 -9,-2.3 -9,-2.4 -2,-0.3 2,-0.3 -0.916 12.1-132.4-154.4-179.0 4.7 9.6 4.9 22 22 A Y E -BC 11 37A 17 15,-1.3 15,-0.7 -2,-0.3 2,-0.4 -0.947 3.0-159.3-140.8 155.0 1.8 8.8 7.3 23 23 A G E +BC 10 36A 0 -13,-2.3 -13,-1.9 -2,-0.3 2,-0.3 -0.992 14.3 176.5-137.3 133.8 0.3 5.8 9.0 24 24 A A E -BC 9 35A 0 11,-2.1 11,-2.1 -2,-0.4 2,-0.5 -0.995 13.2-160.1-139.5 132.9 -3.3 5.8 10.4 25 25 A I E -BC 8 34A 0 -17,-2.7 -17,-2.2 -2,-0.3 2,-0.5 -0.992 12.1-169.6-113.2 129.6 -5.2 2.9 12.0 26 26 A L E -BC 7 33A 0 7,-3.4 7,-2.9 -2,-0.5 2,-0.8 -0.992 13.7-163.4-123.5 123.8 -9.0 3.1 12.0 27 27 A R E +BC 6 32A 55 -21,-3.5 -21,-1.6 -2,-0.5 2,-0.4 -0.901 33.9 149.8-106.8 101.2 -11.3 0.8 14.0 28 28 A Y E > - C 0 31A 15 3,-0.9 3,-1.6 -2,-0.8 2,-0.4 -0.999 59.2 -16.3-136.3 134.9 -14.7 1.4 12.4 29 29 A R T 3 S- 0 0 173 -2,-0.4 -27,-0.4 1,-0.2 -2,-0.0 -0.657 124.8 -40.6 67.6-121.9 -17.7 -1.0 12.0 30 30 A G T 3 S+ 0 0 65 -2,-0.4 -1,-0.2 -29,-0.1 2,-0.2 0.244 119.9 79.3-118.8 13.6 -16.1 -4.4 12.6 31 31 A R E < -C 28 0A 182 -3,-1.6 -3,-0.9 -5,-0.0 2,-0.5 -0.590 69.6-128.1-112.6 176.5 -12.8 -4.0 10.7 32 32 A E E -C 27 0A 83 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.991 26.1-162.7-127.8 111.2 -9.5 -2.4 11.1 33 33 A K E -C 26 0A 70 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.4 -0.834 0.3-159.9-100.3 137.8 -8.5 -0.2 8.2 34 34 A T E -C 25 0A 69 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.987 7.1-173.4-120.2 129.3 -4.9 0.8 7.7 35 35 A F E +C 24 0A 50 -11,-2.1 -11,-2.1 -2,-0.4 2,-0.3 -0.964 14.2 153.1-122.4 139.9 -3.9 3.8 5.6 36 36 A S E +C 23 0A 51 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.900 6.0 164.1-169.3 135.4 -0.4 4.8 4.6 37 37 A A E -C 22 0A 18 -15,-0.7 -15,-1.3 -2,-0.3 2,-0.3 -0.967 25.0-135.1-151.5 151.8 1.1 6.8 1.7 38 38 A G E -C 21 0A 2 105,-0.3 108,-2.1 -2,-0.3 107,-1.7 -0.879 13.7-154.8-112.7 147.4 4.5 8.4 1.0 39 39 A Y E -Cd 20 146A 22 -19,-3.4 -19,-2.7 -2,-0.3 108,-0.2 -0.979 15.9-134.8-128.1 137.0 4.9 11.9 -0.5 40 40 A T E S+ 0 0 77 106,-2.3 2,-0.4 -2,-0.4 107,-0.1 0.738 90.6 12.5 -56.8 -43.8 8.0 13.1 -2.5 41 41 A R E S+ 0 0 125 105,-0.2 107,-0.4 -22,-0.1 2,-0.2 -0.893 88.1 113.4-143.9 109.8 8.6 16.5 -0.9 42 42 A T E -C 18 0A 0 -24,-3.3 -24,-1.8 -2,-0.4 2,-0.3 -0.762 51.9-102.3-154.7-162.2 6.8 17.5 2.4 43 43 A T > - 0 0 13 -2,-0.2 4,-1.1 -26,-0.2 -27,-0.1 -0.846 29.0-112.2-132.1 166.7 7.3 18.3 6.0 44 44 A N H > S+ 0 0 61 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 0.905 115.0 52.8 -61.9 -52.0 6.8 16.4 9.3 45 45 A N H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.813 107.0 52.3 -54.0 -41.3 4.0 18.6 10.4 46 46 A R H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.813 109.0 50.2 -66.8 -37.0 2.0 18.1 7.2 47 47 A M H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.882 108.1 51.1 -70.7 -40.9 2.3 14.4 7.5 48 48 A E H X S+ 0 0 21 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.865 114.2 46.1 -65.9 -33.9 1.0 14.3 11.1 49 49 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 3,-0.3 0.929 109.5 53.7 -71.6 -45.3 -1.9 16.4 9.9 50 50 A M H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.793 101.7 62.1 -60.1 -28.7 -2.5 14.2 6.9 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.943 108.2 39.5 -61.3 -55.1 -2.7 11.2 9.2 52 52 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.3 5,-0.3 0.809 113.4 55.0 -63.9 -40.0 -5.7 12.5 11.0 53 53 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.939 107.2 47.7 -61.7 -54.3 -7.5 13.9 8.0 54 54 A V H < S+ 0 0 28 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.864 114.2 48.4 -57.0 -41.0 -7.4 10.6 5.9 55 55 A A H < S+ 0 0 0 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.2 0.860 115.2 43.2 -67.4 -45.1 -8.7 8.6 8.9 56 56 A L H >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.891 107.2 59.6 -69.5 -42.8 -11.6 11.0 9.7 57 57 A E T 3< S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.694 95.2 65.9 -61.4 -14.5 -12.5 11.5 6.1 58 58 A A T 3 S+ 0 0 27 -3,-0.5 2,-0.8 -4,-0.4 -1,-0.3 0.601 79.5 99.3 -79.1 -13.1 -13.2 7.7 6.0 59 59 A L < - 0 0 14 -3,-2.3 4,-0.1 -4,-0.2 -1,-0.0 -0.719 52.2-174.9 -82.4 109.3 -16.0 8.3 8.5 60 60 A K + 0 0 177 -2,-0.8 2,-0.3 2,-0.1 -1,-0.1 0.459 65.1 32.6 -84.1 -10.3 -19.3 8.3 6.5 61 61 A E S S- 0 0 81 0, 0.0 2,-0.1 0, 0.0 52,-0.1 -0.874 102.3 -76.0-139.2 169.6 -21.7 9.2 9.4 62 62 A A + 0 0 63 -2,-0.3 2,-0.3 52,-0.1 52,-0.2 -0.538 64.0 179.5 -65.5 134.9 -21.5 11.3 12.5 63 63 A C - 0 0 14 50,-0.2 52,-2.6 -2,-0.1 2,-0.7 -0.894 38.3-115.7-136.8 167.5 -19.5 9.2 15.0 64 64 A E E - e 0 115A 97 -2,-0.3 -59,-2.4 50,-0.2 2,-0.3 -0.943 47.6-174.2-105.7 104.5 -18.1 9.3 18.5 65 65 A V E -ae 5 116A 2 50,-3.7 52,-1.9 -2,-0.7 2,-0.4 -0.717 26.7-163.4-106.6 154.9 -14.3 9.2 18.0 66 66 A I E -ae 6 117A 35 -61,-1.5 -59,-2.2 -2,-0.3 2,-0.5 -0.954 18.1-164.2-134.6 116.4 -11.3 8.9 20.2 67 67 A L E -ae 7 118A 0 50,-2.4 52,-3.8 -2,-0.4 2,-0.5 -0.923 3.6-166.2-112.1 134.2 -8.1 9.9 18.5 68 68 A S E +ae 8 119A 2 -61,-3.1 -59,-1.6 -2,-0.5 2,-0.3 -0.977 22.2 143.6-123.9 125.8 -4.7 9.0 19.8 69 69 A T E - e 0 120A 1 50,-1.5 52,-1.6 -2,-0.5 -59,-0.1 -0.959 44.9-145.1-153.8 150.3 -1.5 10.6 18.5 70 70 A D + 0 0 54 -61,-0.5 2,-0.4 -2,-0.3 53,-0.3 0.145 61.7 130.6-101.7 11.7 1.8 11.7 20.1 71 71 A S > - 0 0 4 -62,-0.2 4,-1.2 1,-0.1 -2,-0.1 -0.572 42.0-168.2 -75.8 121.6 1.9 14.6 17.6 72 72 A Q H > S+ 0 0 133 -2,-0.4 4,-3.2 2,-0.2 5,-0.2 0.780 85.2 57.3 -78.5 -30.8 2.6 18.0 19.2 73 73 A Y H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.896 109.5 44.0 -69.6 -40.6 1.6 20.0 16.1 74 74 A V H > S+ 0 0 0 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.927 118.0 47.6 -64.6 -41.6 -1.9 18.5 15.9 75 75 A R H X S+ 0 0 123 -4,-1.2 4,-3.2 2,-0.2 5,-0.2 0.963 112.4 45.7 -63.1 -58.3 -2.1 19.0 19.7 76 76 A Q H X>S+ 0 0 61 -4,-3.2 4,-1.7 1,-0.2 5,-0.7 0.795 117.2 47.3 -53.7 -40.4 -0.9 22.6 19.7 77 77 A G H X>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.2 4,-1.2 0.958 115.9 43.0 -68.6 -52.0 -3.2 23.3 16.8 78 78 A I H <5S+ 0 0 33 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.822 123.1 35.2 -63.0 -40.3 -6.2 21.6 18.3 79 79 A T H <5S+ 0 0 79 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.793 132.9 11.7 -89.9 -32.2 -5.8 23.0 21.9 80 80 A Q H <5S+ 0 0 103 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.479 125.8 32.1-123.6 -14.3 -4.4 26.6 21.5 81 81 A W T >X S+ 0 0 129 -6,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.914 113.5 46.5 -57.5 -41.5 -10.2 28.3 17.9 84 84 A N H <> S+ 0 0 86 -3,-0.6 4,-0.5 1,-0.2 -2,-0.2 0.753 106.7 56.6 -70.8 -34.3 -8.3 31.6 17.4 85 85 A W H <>S+ 0 0 34 -4,-1.5 5,-3.7 2,-0.2 6,-0.4 0.781 103.4 52.7 -71.7 -36.3 -7.7 31.2 13.6 86 86 A K H ><5S+ 0 0 93 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.947 108.2 51.6 -67.2 -46.1 -11.4 30.8 12.8 87 87 A K H 3<5S+ 0 0 167 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 114.1 45.2 -56.0 -28.4 -12.2 34.0 14.6 88 88 A R T 3<5S- 0 0 119 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.188 118.3-107.0-102.9 8.6 -9.4 35.7 12.6 89 89 A G T < 5S- 0 0 45 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.925 73.3 -59.3 64.0 47.1 -10.4 34.3 9.2 90 90 A W S - 0 0 42 4,-3.3 3,-1.6 -2,-0.3 6,-0.1 -0.189 44.3 -93.9 -80.8 170.7 -1.7 35.5 11.4 93 93 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.852 128.5 57.8 -63.0 -30.7 -1.3 38.7 13.3 94 94 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 0.204 121.5-109.2 -86.9 15.4 0.5 40.1 10.3 95 95 A K S < S+ 0 0 147 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.710 77.5 128.3 64.9 27.9 -2.6 39.4 8.2 96 96 A K - 0 0 113 1,-0.1 -4,-3.3 59,-0.0 -1,-0.3 -0.762 68.5 -88.7-107.9 159.6 -1.1 36.5 6.2 97 97 A P B -F 91 0B 50 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.336 49.8-103.3 -62.3 140.4 -2.6 33.1 5.8 98 98 A V > - 0 0 4 -8,-1.4 3,-1.3 1,-0.1 2,-0.2 -0.227 42.3 -94.5 -62.9 155.9 -1.7 30.5 8.4 99 99 A K T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.582 110.8 10.7 -74.4 136.2 0.9 27.9 7.6 100 100 A N T >> S+ 0 0 16 -2,-0.2 4,-2.7 50,-0.2 3,-1.3 0.702 78.8 152.8 63.4 30.8 -0.7 24.7 6.3 101 101 A V H <> + 0 0 33 -3,-1.3 4,-2.2 1,-0.3 5,-0.3 0.786 67.6 62.2 -57.9 -29.5 -4.0 26.4 6.1 102 102 A D H 3> S+ 0 0 52 48,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.814 111.2 36.4 -64.0 -36.7 -4.9 23.9 3.4 103 103 A L H <> S+ 0 0 4 -3,-1.3 4,-2.6 2,-0.2 5,-0.3 0.880 115.9 51.9 -85.2 -43.5 -4.5 21.0 5.9 104 104 A W H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.872 111.9 47.1 -59.6 -38.5 -5.9 22.8 8.9 105 105 A Q H X S+ 0 0 93 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.819 113.6 50.0 -70.6 -32.9 -9.1 23.9 7.0 106 106 A R H X S+ 0 0 99 -4,-0.6 4,-1.3 -5,-0.3 -2,-0.2 0.876 112.9 43.8 -73.3 -42.4 -9.4 20.4 5.7 107 107 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.825 109.0 59.8 -71.8 -37.4 -9.1 18.7 9.1 108 108 A D H X S+ 0 0 43 -4,-1.8 4,-0.8 -5,-0.3 3,-0.3 0.903 105.3 48.7 -53.9 -47.5 -11.5 21.4 10.5 109 109 A A H < S+ 0 0 68 -4,-1.5 3,-0.5 1,-0.2 4,-0.4 0.891 108.8 54.2 -59.3 -45.5 -14.2 20.2 8.1 110 110 A A H < S+ 0 0 10 -4,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.710 109.5 45.3 -65.0 -29.4 -13.6 16.5 9.0 111 111 A L H >< S+ 0 0 27 -4,-1.4 3,-1.5 -3,-0.3 -1,-0.2 0.591 94.3 80.6 -87.1 -21.4 -14.1 17.1 12.8 112 112 A G T 3< S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.700 92.4 50.0 -58.3 -29.0 -17.2 19.2 12.2 113 113 A Q T 3 S+ 0 0 127 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 0.431 107.4 64.5 -87.7 -11.6 -19.3 16.1 11.7 114 114 A H S < S- 0 0 22 -3,-1.5 2,-0.6 -52,-0.2 -50,-0.2 -0.882 72.1-121.8-129.4 164.3 -18.2 14.2 14.9 115 115 A Q E -e 64 0A 126 -52,-2.6 -50,-3.7 -2,-0.3 2,-0.4 -0.849 45.5-166.1 -94.3 117.2 -18.0 13.9 18.6 116 116 A I E -e 65 0A 46 -2,-0.6 2,-0.5 -52,-0.2 -50,-0.2 -0.961 25.5-172.4-124.6 130.4 -14.2 13.8 19.4 117 117 A K E -e 66 0A 104 -52,-1.9 -50,-2.4 -2,-0.4 2,-0.4 -0.983 21.9-150.3-116.7 117.4 -12.2 12.8 22.4 118 118 A W E -e 67 0A 55 -2,-0.5 2,-0.6 -52,-0.2 -50,-0.2 -0.812 8.4-165.6 -92.6 128.3 -8.4 13.6 21.8 119 119 A E E -e 68 0A 68 -52,-3.8 -50,-1.5 -2,-0.4 2,-1.0 -0.893 6.8-157.2-122.0 101.1 -5.8 11.4 23.6 120 120 A W E -e 69 0A 65 -2,-0.6 -50,-0.2 -52,-0.2 2,-0.1 -0.672 16.6-165.6 -79.8 101.1 -2.4 12.9 23.6 121 121 A V - 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