==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-DEC-11 3VA0 . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.2 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 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 . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 0 0 4 1 1 0 0 0 0 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 2 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 0 0 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 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 8 A T 0 0 103 0, 0.0 2,-0.2 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 -5.8 7.2 35.2 -4.1 2 9 A G >> - 0 0 28 1,-0.1 3,-1.9 40,-0.1 4,-0.6 -0.554 360.0-132.8 -79.8 140.0 5.5 35.0 -0.7 3 10 A L H >> S+ 0 0 12 1,-0.3 3,-1.1 -2,-0.2 4,-0.9 0.855 107.8 60.9 -55.9 -37.0 7.2 36.4 2.4 4 11 A C H 34>S+ 0 0 37 99,-0.5 5,-0.8 1,-0.3 -1,-0.3 0.618 104.9 49.7 -67.8 -11.7 6.4 33.2 4.3 5 12 A D H X45S+ 0 0 105 -3,-1.9 3,-0.5 3,-0.2 -1,-0.3 0.570 97.0 70.3-100.0 -13.6 8.5 31.3 1.7 6 13 A R H <<5S+ 0 0 3 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.896 111.8 20.7 -77.0 -43.0 11.5 33.5 1.9 7 14 A F T ><5S- 0 0 0 -4,-0.9 3,-2.7 3,-0.3 -1,-0.2 -0.429 116.1 -89.6-125.7 59.2 12.8 32.7 5.4 8 15 A R T < 5S- 0 0 92 -3,-0.5 -3,-0.2 353,-0.5 -4,-0.1 0.808 96.0 -42.9 33.9 45.4 11.3 29.2 6.1 9 16 A G T 3 - 0 0 70 1,-0.2 4,-2.6 -3,-0.1 -3,-0.1 -0.787 54.7-166.9 -96.1 115.7 23.5 45.5 30.3 24 31 A A T 4 S+ 0 0 12 -2,-0.7 -1,-0.2 1,-0.2 5,-0.1 0.800 88.7 52.6 -67.7 -30.5 20.1 44.3 29.2 25 32 A K T 4 S+ 0 0 155 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.906 126.4 17.8 -70.6 -42.3 19.3 42.8 32.7 26 33 A T T 4 S+ 0 0 64 35,-0.1 36,-2.3 2,-0.1 -2,-0.2 0.799 105.6 82.7-105.1 -37.4 20.1 45.9 34.7 27 34 A D B < S-f 62 0B 6 -4,-2.6 36,-0.2 34,-0.2 -6,-0.1 -0.422 79.1-106.1 -81.5 149.8 20.1 49.0 32.4 28 35 A A - 0 0 0 34,-1.7 -8,-2.1 -8,-0.2 2,-0.5 -0.358 19.3-129.5 -74.7 147.9 16.9 50.8 31.3 29 36 A L E +B 19 0A 1 27,-0.2 -10,-0.2 -10,-0.2 3,-0.1 -0.865 31.7 169.2 -92.0 130.0 15.3 50.7 27.9 30 37 A L E + 0 0 0 -12,-2.7 25,-3.7 -2,-0.5 2,-0.3 0.697 58.5 19.8-116.4 -31.1 14.7 54.2 26.7 31 38 A E E +BC 18 54A 22 -13,-2.0 -13,-2.2 23,-0.3 -1,-0.4 -0.999 55.0 175.1-144.0 142.6 13.8 53.9 23.0 32 39 A I E -BC 17 53A 1 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.960 3.6-176.1-148.9 133.3 12.4 51.2 20.7 33 40 A A E -BC 16 52A 0 -17,-2.2 -17,-1.6 -2,-0.3 2,-0.4 -0.943 5.8-164.5-125.8 149.7 11.3 51.3 17.1 34 41 A A E -BC 15 51A 2 17,-2.8 17,-3.5 -2,-0.3 2,-0.4 -0.996 7.7-176.8-139.7 132.8 9.8 48.5 15.0 35 42 A I E -BC 14 50A 1 -21,-2.6 -21,-2.6 -2,-0.4 15,-0.2 -0.913 11.9-156.9-132.9 106.8 9.3 48.1 11.3 36 43 A T E -B 13 0A 3 13,-1.9 12,-3.4 -2,-0.4 2,-0.3 -0.411 16.4-139.9 -72.0 156.5 7.5 45.1 9.8 37 44 A L E - C 0 47A 1 -25,-0.9 2,-0.3 10,-0.3 8,-0.1 -0.778 15.0-168.1-117.2 162.7 8.2 44.1 6.2 38 45 A K E - C 0 46A 97 8,-2.8 8,-2.1 -2,-0.3 2,-0.4 -0.986 15.6-133.4-145.7 153.6 6.0 42.9 3.4 39 46 A M E - C 0 45A 34 -2,-0.3 6,-0.2 6,-0.2 -36,-0.2 -0.921 18.8-137.6-109.2 135.8 6.6 41.4 -0.1 40 47 A D > - 0 0 53 4,-2.1 3,-1.1 -2,-0.4 -37,-0.1 -0.003 43.4 -83.0 -71.4-170.2 4.8 42.6 -3.2 41 48 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.816 129.9 53.6 -69.3 -30.6 3.4 40.2 -5.7 42 49 A Q T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 -40,-0.1 0.423 122.0-104.1 -86.1 0.6 6.8 39.8 -7.5 43 50 A G < + 0 0 4 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.691 69.3 149.3 86.2 20.2 8.5 38.9 -4.2 44 51 A W - 0 0 49 151,-0.0 -4,-2.1 1,-0.0 2,-0.3 -0.700 41.6-129.4 -86.4 140.4 10.2 42.2 -3.6 45 52 A L E +C 39 0A 4 -2,-0.3 -6,-0.2 143,-0.3 147,-0.1 -0.684 35.8 155.6 -95.6 140.8 10.7 43.2 0.0 46 53 A M E -C 38 0A 62 -8,-2.1 -8,-2.8 -2,-0.3 139,-0.1 -0.991 46.1 -78.6-158.1 158.4 9.8 46.6 1.5 47 54 A P E +C 37 0A 55 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.287 42.9 174.4 -58.5 142.3 8.8 48.3 4.8 48 55 A D E + 0 0 72 -12,-3.4 2,-0.4 1,-0.4 -11,-0.2 0.660 56.1 9.2-113.7 -86.1 5.2 47.8 6.0 49 56 A T E - 0 0 53 -13,-0.1 -13,-1.9 -12,-0.0 2,-0.5 -0.852 63.7-153.1-107.9 140.9 4.2 49.1 9.4 50 57 A T E +C 35 0A 71 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.946 13.5 177.5-120.1 126.6 6.3 51.5 11.5 51 58 A L E +C 34 0A 13 -17,-3.5 -17,-2.8 -2,-0.5 2,-0.3 -0.934 0.6 176.2-124.1 150.1 6.2 51.9 15.3 52 59 A H E +C 33 0A 109 -2,-0.3 2,-0.3 -19,-0.3 -19,-0.2 -0.975 2.6 178.6-155.2 137.8 8.3 54.0 17.6 53 60 A F E -C 32 0A 29 -21,-2.2 -21,-2.0 -2,-0.3 2,-0.5 -0.998 28.7-138.5-144.1 142.3 8.3 54.7 21.3 54 61 A H E -Cd 31 82A 77 27,-0.5 29,-2.7 -2,-0.3 2,-0.4 -0.887 39.9-142.4 -90.4 131.6 10.1 56.6 24.1 55 62 A V E - d 0 83A 0 -25,-3.7 29,-0.2 -2,-0.5 27,-0.1 -0.833 6.0-128.9-111.5 133.0 10.3 54.2 27.0 56 63 A E - 0 0 95 27,-3.1 29,-0.3 -2,-0.4 -27,-0.2 -0.534 37.4-108.2 -68.0 134.5 10.0 54.8 30.7 57 64 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.508 39.2-111.7 -62.9 127.6 12.9 53.3 32.7 58 65 A F > - 0 0 41 -2,-0.2 3,-1.7 1,-0.1 2,-0.1 -0.340 43.4 -90.3 -60.8 142.9 11.6 50.3 34.6 59 66 A V T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.355 116.4 25.2 -60.5 125.6 11.5 50.9 38.3 60 67 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.531 91.2 144.1 96.0 10.5 14.8 49.8 39.8 61 68 A A < - 0 0 18 -3,-1.7 -1,-0.3 -4,-0.1 -34,-0.2 -0.611 47.5-126.3 -87.9 141.0 16.7 50.3 36.6 62 69 A N B -f 27 0B 71 -36,-2.3 -34,-1.7 -2,-0.3 2,-0.4 -0.505 16.3-156.5 -80.6 153.1 20.3 51.5 36.5 63 70 A L - 0 0 68 -36,-0.2 -42,-0.2 -2,-0.2 -36,-0.1 -0.812 6.4-149.6-137.2 94.4 21.2 54.5 34.3 64 71 A Q >> - 0 0 74 -44,-2.7 4,-1.9 -2,-0.4 3,-0.7 -0.485 6.7-148.9 -66.1 118.8 24.8 54.8 33.1 65 72 A P H 3> S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.806 99.1 61.2 -56.9 -31.1 25.7 58.5 32.8 66 73 A E H 3> S+ 0 0 125 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.900 105.0 47.5 -61.2 -42.1 28.0 57.5 30.0 67 74 A A H <> S+ 0 0 17 -3,-0.7 4,-2.6 -47,-0.3 3,-0.3 0.930 112.6 47.5 -65.1 -48.0 25.1 56.1 28.1 68 75 A L H X S+ 0 0 44 -4,-1.9 4,-2.0 1,-0.2 5,-0.4 0.897 110.6 52.4 -60.0 -42.4 23.0 59.2 28.6 69 76 A A H < S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.784 113.3 46.7 -64.4 -27.0 25.9 61.5 27.5 70 77 A F H < S+ 0 0 143 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.930 121.1 31.2 -81.9 -50.4 26.2 59.4 24.4 71 78 A N H < S- 0 0 15 -4,-2.6 -2,-0.2 -52,-0.2 -3,-0.2 0.597 98.4-131.0 -89.0 -12.0 22.6 59.2 23.2 72 79 A G < + 0 0 67 -4,-2.0 2,-0.4 -5,-0.3 -3,-0.1 0.621 52.7 150.2 76.3 14.2 21.6 62.5 24.6 73 80 A I - 0 0 18 -5,-0.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.647 33.7-163.2 -86.6 133.8 18.5 61.2 26.2 74 81 A D > - 0 0 87 -2,-0.4 3,-2.4 1,-0.1 6,-0.1 -0.860 1.2-170.2-114.7 93.8 17.1 62.8 29.4 75 82 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.647 85.0 60.6 -58.3 -17.2 14.7 60.2 31.0 76 83 A N T 3 S+ 0 0 143 -3,-0.1 -3,-0.0 3,-0.0 -2,-0.0 0.517 73.5 111.3 -90.2 -7.5 13.6 62.9 33.4 77 84 A D X - 0 0 69 -3,-2.4 3,-1.6 1,-0.2 4,-0.1 -0.581 57.2-156.4 -69.9 113.1 12.3 65.3 30.7 78 85 A P T 3 S+ 0 0 116 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.561 88.1 63.4 -68.8 -9.4 8.5 65.3 31.1 79 86 A D T 3 S+ 0 0 148 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.310 74.3 90.3 -97.7 7.7 8.1 66.3 27.5 80 87 A R S < S- 0 0 26 -3,-1.6 -1,-0.2 -6,-0.1 -26,-0.1 0.425 87.0-136.3 -84.0 2.6 9.6 63.2 26.0 81 88 A G - 0 0 62 -3,-0.4 -27,-0.5 1,-0.1 2,-0.1 0.890 34.8-175.5 43.2 57.6 6.2 61.5 25.9 82 89 A A E -d 54 0A 28 -29,-0.1 2,-0.3 -27,-0.1 -27,-0.3 -0.439 13.0-161.5 -83.1 155.7 7.4 58.2 27.3 83 90 A V E -d 55 0A 28 -29,-2.7 -27,-3.1 -2,-0.1 2,-0.0 -0.860 29.6 -90.5-127.1 166.1 5.3 55.0 27.7 84 91 A S > - 0 0 46 -2,-0.3 4,-2.3 -29,-0.2 5,-0.2 -0.315 35.6-111.6 -72.2 159.6 5.8 51.9 29.8 85 92 A E H > S+ 0 0 14 -29,-0.3 4,-2.3 1,-0.2 5,-0.3 0.831 120.8 55.6 -58.8 -32.0 7.7 48.9 28.4 86 93 A Y H > S+ 0 0 112 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.962 106.7 47.5 -65.2 -53.6 4.3 47.1 28.5 87 94 A E H > S+ 0 0 104 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.963 117.7 42.0 -49.2 -59.5 2.6 49.7 26.4 88 95 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.959 120.0 39.4 -56.0 -61.7 5.3 49.8 23.8 89 96 A L H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.868 113.0 56.0 -61.4 -38.8 6.0 46.1 23.5 90 97 A H H X S+ 0 0 68 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.891 110.0 46.7 -59.8 -39.5 2.3 45.1 23.8 91 98 A E H X S+ 0 0 94 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.898 113.7 47.1 -70.6 -41.3 1.6 47.4 20.8 92 99 A I H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.938 111.8 50.3 -64.7 -47.3 4.5 46.0 18.7 93 100 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.886 109.1 52.7 -58.8 -40.4 3.6 42.4 19.5 94 101 A K H X S+ 0 0 115 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.946 113.3 42.8 -59.5 -49.2 -0.0 43.1 18.5 95 102 A V H X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 115.3 50.1 -63.7 -43.3 1.1 44.5 15.2 96 103 A V H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.907 108.5 50.9 -63.2 -44.8 3.7 41.7 14.7 97 104 A R H X S+ 0 0 82 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.896 109.4 51.8 -60.9 -40.4 1.2 38.9 15.4 98 105 A K H X S+ 0 0 151 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.908 110.9 48.0 -62.3 -42.2 -1.2 40.4 12.9 99 106 A G H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 6,-0.3 0.878 109.0 54.3 -65.0 -39.4 1.5 40.5 10.3 100 107 A I H X>S+ 0 0 20 -4,-2.4 5,-1.5 2,-0.2 4,-0.5 0.931 113.8 40.2 -61.0 -48.1 2.5 36.9 11.0 101 108 A K H ><5S+ 0 0 183 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.928 113.8 52.8 -67.8 -46.0 -1.0 35.6 10.5 102 109 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 114.6 42.6 -61.7 -28.3 -1.8 37.7 7.5 103 110 A S H 3<5S- 0 0 33 -4,-1.6 -99,-0.5 -5,-0.2 -1,-0.3 0.458 111.0-117.5 -99.5 -3.2 1.4 36.6 5.7 104 111 A G T <<5 + 0 0 55 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.588 66.8 141.9 77.1 10.0 1.1 32.9 6.6 105 112 A C < - 0 0 12 -5,-1.5 -1,-0.2 -6,-0.3 -95,-0.2 -0.215 45.3-149.1 -73.1 173.1 4.3 33.0 8.6 106 113 A N S S+ 0 0 111 -97,-2.3 2,-0.3 1,-0.4 -96,-0.2 0.626 70.6 9.7-119.9 -24.3 4.7 31.1 11.9 107 114 A R E -a 10 0A 101 -98,-1.4 -96,-3.3 -7,-0.1 -1,-0.4 -0.992 67.9-118.1-155.7 154.8 7.1 33.2 14.0 108 115 A A E -ae 11 136A 0 27,-2.5 29,-2.5 -2,-0.3 2,-0.4 -0.715 20.2-161.5 -95.4 144.3 8.8 36.5 14.0 109 116 A I E -a 12 0A 1 -98,-1.8 -96,-2.3 -2,-0.3 2,-0.3 -0.991 22.6-118.7-124.7 134.7 12.6 37.0 13.8 110 117 A M E -ae 13 141A 1 30,-0.7 32,-2.7 -2,-0.4 2,-0.6 -0.521 18.4-158.8 -75.6 131.7 14.3 40.3 14.8 111 118 A V E +ae 14 142A 0 -98,-2.7 -96,-2.6 -2,-0.3 2,-0.3 -0.956 32.7 143.2-107.1 117.8 16.3 42.2 12.2 112 119 A A E > - e 0 143A 0 30,-1.1 32,-1.9 -2,-0.6 3,-0.9 -0.985 56.6-100.4-151.9 158.3 18.9 44.5 13.9 113 120 A H T 3 S+ 0 0 20 1,-0.3 5,-0.2 -2,-0.3 30,-0.1 -0.753 118.9 0.1 -85.9 116.5 22.4 45.9 13.5 114 121 A N T >> S- 0 0 45 -2,-0.7 3,-1.6 235,-0.1 4,-0.6 0.977 95.8-164.7 58.8 60.2 24.5 43.8 15.9 115 122 A A H <> S+ 0 0 0 -3,-0.9 4,-3.0 1,-0.3 5,-0.2 0.705 71.6 69.7 -57.4 -32.0 21.2 42.2 16.6 116 123 A N H 3> S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.864 96.0 56.8 -56.3 -36.6 22.1 40.4 19.8 117 124 A F H <> S+ 0 0 68 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.964 114.1 35.6 -58.7 -55.7 22.2 43.7 21.6 118 125 A D H X S+ 0 0 5 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.880 115.1 56.9 -68.2 -39.7 18.7 44.8 20.7 119 126 A H H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.930 107.5 48.0 -56.0 -47.3 17.3 41.3 21.0 120 127 A S H X S+ 0 0 38 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.851 113.8 46.7 -66.3 -35.4 18.6 41.0 24.6 121 128 A F H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.871 114.3 46.5 -73.8 -38.1 17.1 44.3 25.6 122 129 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 113.9 47.8 -69.7 -44.7 13.7 43.7 24.0 123 130 A M H X S+ 0 0 47 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.877 111.3 51.2 -62.9 -39.6 13.4 40.2 25.4 124 131 A A H X S+ 0 0 17 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.902 110.6 48.1 -66.9 -40.8 14.4 41.5 28.9 125 132 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.894 109.2 54.7 -64.0 -39.9 11.8 44.2 28.7 126 133 A A H <>S+ 0 0 6 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.909 110.4 45.6 -59.7 -43.1 9.2 41.6 27.6 127 134 A E H ><5S+ 0 0 160 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.929 110.8 52.2 -66.1 -46.5 10.0 39.5 30.6 128 135 A R H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.5 46.7 -56.8 -35.4 9.9 42.5 33.0 129 136 A A T 3<5S- 0 0 20 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.491 106.9-128.0 -88.3 -4.6 6.5 43.4 31.6 130 137 A S T < 5 + 0 0 98 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.886 40.2 179.8 57.9 41.6 5.1 39.8 31.8 131 138 A L < - 0 0 23 -5,-2.1 3,-0.4 -6,-0.1 2,-0.4 -0.534 18.3-136.2 -73.9 138.8 4.0 39.8 28.2 132 139 A K S S+ 0 0 141 -2,-0.2 -1,-0.0 1,-0.2 -5,-0.0 -0.791 73.2 10.6-103.0 140.3 2.4 36.6 27.0 133 140 A R S S- 0 0 186 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.909 74.0-154.4 66.0 45.2 3.1 34.8 23.8 134 141 A N - 0 0 40 -3,-0.4 -1,-0.2 1,-0.2 -11,-0.0 -0.340 2.1-152.3 -49.4 115.1 6.1 36.8 22.6 135 142 A P + 0 0 11 0, 0.0 -27,-2.5 0, 0.0 2,-0.2 0.628 64.7 95.7 -73.1 -14.8 6.0 36.3 18.8 136 143 A F E S-e 108 0A 4 -29,-0.2 -27,-0.2 1,-0.1 -2,-0.0 -0.503 86.8-103.0 -80.1 145.5 9.7 36.8 18.4 137 144 A H E - 0 0 22 -29,-2.5 -27,-0.2 -2,-0.2 -1,-0.1 -0.467 30.1-128.9 -64.7 134.9 12.1 33.8 18.2 138 145 A P E S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.532 92.6 -1.7 -71.0 -9.0 13.9 33.5 21.5 139 146 A F E S+ 0 0 125 1,-0.1 2,-0.3 185,-0.0 185,-0.1 0.437 102.5 99.7-154.4 -13.0 17.5 33.4 20.1 140 147 A A E + 0 0 7 213,-0.0 -30,-0.7 2,-0.0 2,-0.3 -0.624 45.1 166.4 -84.1 141.0 17.5 33.5 16.3 141 148 A T E -e 110 0A 18 -2,-0.3 2,-0.6 -32,-0.2 -30,-0.2 -0.970 40.5-128.1-147.5 162.5 18.2 36.9 14.6 142 149 A F E -e 111 0A 2 -32,-2.7 -30,-1.1 -2,-0.3 2,-0.6 -0.814 29.6-160.0-111.8 86.9 19.1 38.5 11.3 143 150 A D E >> -e 112 0A 6 -2,-0.6 4,-1.8 -32,-0.2 3,-0.6 -0.562 7.6-161.6 -71.3 114.1 22.2 40.6 12.1 144 151 A T H 3> S+ 0 0 0 -32,-1.9 4,-2.4 -2,-0.6 -31,-0.2 0.656 87.1 68.3 -72.8 -14.8 22.5 43.3 9.4 145 152 A A H 3> S+ 0 0 4 -33,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.905 106.7 38.8 -67.0 -41.5 26.1 43.8 10.4 146 153 A A H <> S+ 0 0 1 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.865 116.4 51.2 -75.0 -38.5 27.0 40.3 9.1 147 154 A L H X S+ 0 0 1 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.892 111.8 46.6 -66.1 -40.7 24.6 40.7 6.1 148 155 A A H X>S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-1.5 0.821 108.3 57.6 -69.9 -31.1 26.2 44.0 5.1 149 156 A G H X5S+ 0 0 0 -4,-1.2 4,-0.6 4,-0.3 -2,-0.2 0.895 114.4 38.2 -62.6 -40.2 29.6 42.4 5.7 150 157 A L H <5S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.957 127.1 33.4 -72.4 -53.5 28.6 39.8 3.1 151 158 A A H <5S+ 0 0 6 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.799 137.5 15.5 -77.3 -31.4 26.7 42.1 0.7 152 159 A L H <5S- 0 0 11 -4,-2.7 -3,-0.2 2,-0.3 -1,-0.2 0.405 90.6-120.2-129.1 -1.0 28.7 45.3 1.0 153 160 A G S < S- 0 0 62 1,-0.1 4,-2.8 -8,-0.1 5,-0.2 -0.652 75.9-134.3 -76.9 128.6 29.3 49.7 10.4 157 164 A L H > S+ 0 0 20 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.901 101.1 46.3 -50.2 -53.4 25.7 50.8 9.8 158 165 A S H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 116.7 43.4 -59.5 -47.2 26.4 54.2 8.5 159 166 A K H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.833 112.6 54.2 -68.8 -32.2 29.2 53.1 6.1 160 167 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.913 109.4 47.5 -66.5 -43.4 27.1 50.1 5.0 161 168 A C H <>S+ 0 0 0 -4,-2.7 5,-3.2 -5,-0.2 -2,-0.2 0.911 113.2 48.4 -63.4 -43.3 24.2 52.5 4.1 162 169 A Q H ><5S+ 0 0 99 -4,-2.2 3,-2.3 3,-0.2 -2,-0.2 0.943 109.3 51.6 -62.8 -49.4 26.5 54.8 2.2 163 170 A T H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.2 53.8 -54.5 -35.6 28.2 52.0 0.3 164 171 A A T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.431 124.3-107.6 -80.9 0.9 24.6 50.8 -0.7 165 172 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.658 75.9 135.1 82.4 16.7 24.0 54.3 -2.0 166 173 A M < - 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