==== 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 3VA3 . COMPND 2 MOLECULE: RIBONUCLEASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-Y.HSIAO,H.S.YUAN . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 9.5 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 . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 33.2 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 3 0 0 4 2 0 0 0 0 0 2 0 0 0 1 1 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 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 . 1 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 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 6 A Q 0 0 229 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.1 39.7 -7.9 -20.8 2 7 A L + 0 0 76 1,-0.2 0, 0.0 5,-0.0 0, 0.0 -0.630 360.0 161.2 -85.5 94.8 36.4 -9.5 -20.0 3 8 A T + 0 0 58 -2,-1.1 -1,-0.2 38,-0.0 5,-0.1 0.857 41.4 103.5 -74.3 -39.4 33.7 -6.8 -19.8 4 9 A G > - 0 0 29 1,-0.1 4,-0.6 3,-0.1 3,-0.2 0.151 69.9-132.0 -61.0 160.8 30.6 -9.0 -20.2 5 10 A L H >> S+ 0 0 14 1,-0.2 3,-1.1 36,-0.2 4,-1.0 0.881 102.2 65.6 -72.6 -42.3 28.1 -10.2 -17.7 6 11 A C H 34>S+ 0 0 32 99,-0.5 5,-1.9 1,-0.3 6,-0.3 0.791 101.2 51.3 -52.7 -32.4 28.2 -13.8 -18.8 7 12 A D H >45S+ 0 0 75 3,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.787 99.3 63.7 -77.9 -28.9 31.8 -14.0 -17.6 8 13 A R H <<5S+ 0 0 8 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.818 116.1 26.0 -69.5 -32.7 31.1 -12.7 -14.1 9 14 A F T ><5S- 0 0 2 -4,-1.0 3,-3.0 3,-0.3 -1,-0.3 -0.283 116.3 -95.3-128.7 48.0 28.8 -15.5 -13.0 10 15 A R T < 5S- 0 0 84 -3,-0.9 -3,-0.2 349,-0.3 -4,-0.1 0.657 89.4 -48.4 49.6 23.4 30.0 -18.5 -15.1 11 16 A G T 3 - 0 0 72 1,-0.2 4,-2.9 2,-0.1 39,-0.1 -0.781 53.6-165.3 -91.4 108.7 3.6 -22.7 2.8 26 31 A A T 4 S+ 0 0 11 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.785 89.7 45.3 -61.8 -27.4 4.7 -22.6 -0.9 27 32 A K T 4 S+ 0 0 122 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.882 127.6 21.3 -82.1 -42.7 2.4 -25.6 -1.6 28 33 A T T 4 S+ 0 0 61 35,-0.1 36,-2.8 2,-0.1 2,-0.3 0.646 104.8 84.9-105.8 -19.5 -0.8 -24.5 0.2 29 34 A D B < S-e 64 0B 6 -4,-2.9 -6,-0.2 34,-0.2 36,-0.1 -0.677 79.1-108.5 -96.2 143.9 -0.5 -20.7 0.5 30 35 A A - 0 0 0 34,-2.0 -8,-2.3 -2,-0.3 2,-0.7 -0.347 16.4-130.1 -75.0 140.9 -1.5 -18.3 -2.2 31 36 A L E +B 21 0A 5 -10,-0.2 -10,-0.2 1,-0.2 3,-0.1 -0.819 28.2 177.0 -86.6 113.7 0.8 -16.2 -4.3 32 37 A L E - 0 0 0 -12,-1.6 25,-3.6 -2,-0.7 2,-0.3 0.875 59.8 -10.4 -90.3 -43.1 -0.5 -12.6 -4.0 33 38 A E E -BC 20 56A 21 -13,-2.0 -13,-2.7 23,-0.3 2,-0.3 -0.990 54.6-164.1-158.4 156.4 2.1 -10.7 -6.0 34 39 A I E -BC 19 55A 1 21,-2.1 21,-2.3 -2,-0.3 2,-0.4 -0.999 1.3-166.2-145.1 136.2 5.5 -11.0 -7.6 35 40 A A E -BC 18 54A 0 -17,-2.0 -17,-1.9 -2,-0.3 2,-0.4 -0.968 5.8-167.8-125.1 142.0 8.2 -8.6 -8.9 36 41 A A E -BC 17 53A 2 17,-2.2 17,-2.4 -2,-0.4 2,-0.5 -0.992 4.4-172.4-133.8 129.9 11.2 -9.4 -11.1 37 42 A I E -BC 16 52A 3 -21,-2.5 -21,-3.1 -2,-0.4 15,-0.2 -0.945 10.4-155.2-126.7 113.5 14.2 -7.3 -11.9 38 43 A T E -B 15 0A 3 13,-2.0 12,-3.6 -2,-0.5 2,-0.2 -0.408 15.9-135.2 -77.9 158.5 16.8 -8.3 -14.5 39 44 A L E - C 0 49A 2 -25,-0.8 2,-0.3 10,-0.3 12,-0.1 -0.691 15.5-165.7-112.6 168.2 20.4 -7.0 -14.4 40 45 A K E - C 0 48A 93 8,-2.3 8,-1.9 -2,-0.2 2,-0.4 -0.933 9.7-140.6-144.6 165.4 22.8 -5.7 -17.0 41 46 A M E - C 0 47A 35 -2,-0.3 6,-0.2 6,-0.2 -36,-0.2 -0.997 10.4-144.2-135.8 139.0 26.5 -4.9 -17.2 42 47 A D > - 0 0 47 4,-2.0 3,-0.8 -2,-0.4 6,-0.0 -0.256 35.1 -99.1 -89.5-178.0 28.4 -2.0 -18.8 43 48 A E T 3 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.1 -39,-0.0 0.714 122.6 60.3 -76.8 -21.1 31.8 -2.1 -20.6 44 49 A Q T 3 S- 0 0 143 2,-0.1 -1,-0.2 -41,-0.0 -3,-0.0 0.621 121.8-109.9 -76.4 -13.0 33.5 -0.8 -17.4 45 50 A G < + 0 0 10 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.600 67.6 148.8 93.9 16.3 32.2 -4.0 -15.8 46 51 A W - 0 0 57 151,-0.0 -4,-2.0 1,-0.0 2,-0.4 -0.614 39.7-134.4 -91.0 145.5 29.7 -2.3 -13.5 47 52 A L E +C 41 0A 4 143,-0.3 -6,-0.2 -2,-0.3 147,-0.1 -0.787 32.4 156.3-104.0 137.7 26.4 -4.0 -12.5 48 53 A M E -C 40 0A 59 -8,-1.9 -8,-2.3 -2,-0.4 139,-0.1 -0.993 46.1 -83.9-158.2 150.4 23.0 -2.3 -12.5 49 54 A P E -C 39 0A 55 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.235 41.5-177.8 -55.6 145.8 19.3 -3.1 -12.7 50 55 A D E + 0 0 74 -12,-3.6 2,-0.3 1,-0.4 -11,-0.2 0.655 52.9 1.6-111.8 -90.6 18.0 -3.5 -16.2 51 56 A T E - 0 0 59 -12,-0.1 -13,-2.0 46,-0.0 2,-0.4 -0.812 63.7-148.9-108.9 150.6 14.3 -4.2 -16.9 52 57 A T E +C 37 0A 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.943 15.6 174.5-125.7 136.6 11.5 -4.4 -14.3 53 58 A L E +C 36 0A 24 -17,-2.4 -17,-2.2 -2,-0.4 2,-0.3 -0.956 0.2 174.1-134.2 155.7 8.3 -6.3 -14.0 54 59 A H E -C 35 0A 98 -2,-0.3 2,-0.3 -19,-0.3 -19,-0.2 -0.955 4.1-174.8-161.0 143.7 5.6 -6.8 -11.3 55 60 A F E -C 34 0A 47 -21,-2.3 -21,-2.1 -2,-0.3 2,-0.6 -0.997 24.4-136.8-142.1 143.3 2.2 -8.4 -11.0 56 61 A H E -C 33 0A 73 27,-0.4 29,-2.4 -2,-0.3 2,-0.4 -0.901 34.2-154.9 -92.9 124.2 -0.7 -8.8 -8.6 57 62 A V E -f 85 0C 3 -25,-3.6 29,-0.2 -2,-0.6 27,-0.1 -0.829 11.8-129.1-107.3 141.5 -1.7 -12.4 -8.7 58 63 A E E -f 86 0C 109 27,-4.0 29,-0.5 -2,-0.4 -27,-0.2 -0.742 40.9 -99.9 -85.5 132.6 -5.1 -13.9 -7.8 59 64 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.211 41.2-104.0 -54.7 133.2 -4.8 -16.8 -5.3 60 65 A F > - 0 0 58 1,-0.1 3,-2.9 2,-0.1 -30,-0.0 -0.377 50.1 -91.7 -59.4 132.9 -5.0 -20.3 -7.0 61 66 A V T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.232 117.3 25.2 -52.2 123.9 -8.5 -21.7 -6.3 62 67 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.210 93.8 139.0 103.3 -12.0 -8.3 -23.8 -3.1 63 68 A A < - 0 0 20 -3,-2.9 -1,-0.3 1,-0.1 2,-0.3 -0.216 54.0-114.3 -65.5 152.2 -5.4 -21.8 -1.8 64 69 A N B -e 29 0B 78 -36,-2.8 -34,-2.0 -39,-0.1 2,-0.3 -0.627 16.9-159.4 -85.2 147.1 -5.1 -20.7 1.8 65 70 A L - 0 0 66 -2,-0.3 -42,-0.1 -36,-0.1 5,-0.1 -0.706 13.8-153.4-125.9 79.4 -5.2 -17.0 2.8 66 71 A Q > - 0 0 56 -44,-2.4 4,-1.4 -2,-0.3 5,-0.2 -0.317 11.2-138.9 -57.7 126.5 -3.6 -16.8 6.3 67 72 A P H > S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.866 99.2 50.3 -56.2 -44.9 -5.0 -13.8 8.1 68 73 A E H > S+ 0 0 116 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.885 104.3 56.6 -65.1 -43.0 -1.7 -12.6 9.6 69 74 A A H > S+ 0 0 16 1,-0.2 4,-2.2 -47,-0.2 -1,-0.2 0.869 111.1 46.3 -53.9 -37.3 0.1 -12.8 6.3 70 75 A L H X S+ 0 0 36 -4,-1.4 4,-1.2 2,-0.2 5,-0.5 0.841 110.0 53.1 -73.1 -34.9 -2.6 -10.4 5.1 71 76 A A H < S+ 0 0 81 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.881 112.8 46.3 -64.6 -39.0 -2.1 -8.3 8.3 72 77 A F H < S+ 0 0 127 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.987 121.8 30.7 -67.5 -62.9 1.6 -8.1 7.5 73 78 A N H < S- 0 0 17 -4,-2.2 -1,-0.2 -52,-0.2 -2,-0.2 0.541 96.6-135.0 -79.1 -6.2 1.6 -7.2 3.8 74 79 A G < + 0 0 66 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.844 50.0 153.7 54.6 37.6 -1.7 -5.3 4.0 75 80 A I - 0 0 23 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.718 35.5-155.5 -97.9 147.9 -3.0 -6.9 0.9 76 81 A D - 0 0 83 -2,-0.3 3,-0.4 1,-0.1 6,-0.1 -0.911 9.1-175.6-123.5 104.6 -6.6 -7.5 -0.0 77 82 A P S S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.805 86.2 58.8 -64.7 -28.9 -7.2 -10.4 -2.5 78 83 A N S S+ 0 0 134 4,-0.0 4,-0.1 2,-0.0 -2,-0.0 0.801 74.1 114.2 -73.3 -33.5 -10.9 -9.4 -2.5 79 84 A D > - 0 0 64 -3,-0.4 3,-0.9 1,-0.1 4,-0.2 -0.159 58.4-150.9 -41.5 121.6 -10.4 -5.9 -3.8 80 85 A P G > S+ 0 0 121 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.910 91.2 51.1 -67.1 -47.6 -12.0 -5.7 -7.3 81 86 A D G 3 S+ 0 0 154 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.231 75.6 108.9 -80.2 16.0 -9.7 -3.0 -8.8 82 87 A R G < S- 0 0 27 -3,-0.9 -1,-0.2 -5,-0.1 -26,-0.1 0.837 73.1-146.1 -57.7 -32.8 -6.6 -5.0 -7.7 83 88 A G < + 0 0 62 -3,-0.9 -27,-0.4 -4,-0.2 -2,-0.1 0.837 35.4 171.4 67.4 33.3 -6.1 -5.8 -11.4 84 89 A A - 0 0 29 -4,-0.2 -27,-0.3 -7,-0.1 2,-0.2 -0.133 16.2-156.7 -72.1 169.5 -4.7 -9.1 -10.4 85 90 A V E -f 57 0C 39 -29,-2.4 -27,-4.0 2,-0.0 2,-0.3 -0.809 27.7 -78.5-138.2 178.0 -3.8 -12.0 -12.7 86 91 A S E >> -f 58 0C 44 -2,-0.2 4,-1.6 -29,-0.2 3,-0.5 -0.618 39.9-118.8 -82.7 141.1 -3.4 -15.7 -12.8 87 92 A G H 3> S+ 0 0 19 -29,-0.5 4,-2.4 -2,-0.3 5,-0.3 0.882 116.7 55.5 -43.6 -47.6 -0.1 -17.1 -11.5 88 93 A Y H 3> S+ 0 0 106 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.934 103.4 54.6 -48.0 -54.0 0.5 -18.5 -14.9 89 94 A E H <> S+ 0 0 84 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.926 111.8 41.5 -52.2 -56.0 0.2 -15.1 -16.5 90 95 A A H X S+ 0 0 1 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.970 118.8 45.0 -54.5 -58.4 2.8 -13.4 -14.4 91 96 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.875 110.8 54.0 -57.7 -42.4 5.2 -16.3 -14.5 92 97 A H H X S+ 0 0 67 -4,-3.7 4,-1.8 -5,-0.3 -1,-0.2 0.914 113.9 42.7 -56.4 -44.4 4.8 -16.7 -18.2 93 98 A E H X S+ 0 0 56 -4,-2.1 4,-1.4 -5,-0.3 5,-0.2 0.935 112.0 52.2 -69.8 -47.8 5.6 -13.1 -18.7 94 99 A I H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.900 111.4 48.9 -54.5 -42.8 8.5 -13.0 -16.3 95 100 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.931 103.6 56.3 -66.5 -49.5 10.1 -16.0 -18.0 96 101 A K H X S+ 0 0 90 -4,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.856 110.5 44.9 -55.7 -39.8 9.9 -14.9 -21.6 97 102 A V H X S+ 0 0 25 -4,-1.4 4,-2.5 2,-0.2 -1,-0.3 0.843 112.0 53.6 -72.2 -33.7 11.9 -11.7 -20.9 98 103 A V H X S+ 0 0 1 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.3 44.4 -65.4 -47.3 14.4 -13.6 -18.8 99 104 A R H X S+ 0 0 49 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.941 114.2 50.2 -59.3 -48.1 15.0 -16.0 -21.7 100 105 A K H X S+ 0 0 127 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.880 111.8 49.3 -56.3 -39.3 15.2 -13.1 -24.0 101 106 A G H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.810 106.7 55.3 -71.1 -31.9 17.6 -11.5 -21.6 102 107 A I H X>S+ 0 0 18 -4,-2.1 4,-2.0 2,-0.2 5,-1.8 0.922 106.4 49.9 -67.3 -45.3 19.8 -14.6 -21.4 103 108 A K H <5S+ 0 0 164 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.941 111.8 48.1 -58.8 -49.6 20.3 -14.8 -25.2 104 109 A A H <5S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.934 113.9 46.9 -54.8 -49.3 21.3 -11.1 -25.3 105 110 A S H <5S- 0 0 31 -4,-2.1 -99,-0.5 -5,-0.1 -1,-0.2 0.808 107.7-125.2 -64.6 -29.8 23.7 -11.6 -22.4 106 111 A G T <5 + 0 0 54 -4,-2.0 -3,-0.2 1,-0.2 -4,-0.1 0.620 62.0 145.6 86.5 16.2 25.2 -14.8 -23.9 107 112 A C < - 0 0 15 -5,-1.8 -1,-0.2 -6,-0.2 -95,-0.2 -0.240 46.6-147.7 -77.6 172.8 24.4 -16.5 -20.7 108 113 A N S S+ 0 0 105 -97,-2.9 2,-0.3 1,-0.3 -96,-0.2 0.611 74.5 10.4-115.6 -21.5 23.3 -20.2 -20.5 109 114 A R E -a 12 0A 82 -98,-1.2 -96,-2.0 -7,-0.1 -1,-0.3 -0.932 67.5-124.3-164.2 134.7 20.9 -20.2 -17.5 110 115 A A E -ad 13 138A 0 27,-1.8 29,-1.1 -2,-0.3 2,-0.4 -0.456 22.1-162.8 -78.6 151.8 19.2 -17.8 -15.2 111 116 A I E -a 14 0A 1 -98,-1.2 -96,-1.9 27,-0.2 2,-0.2 -0.996 21.2-115.6-139.5 133.7 19.6 -17.9 -11.5 112 117 A M E -ad 15 143A 2 30,-0.6 32,-2.5 -2,-0.4 2,-0.6 -0.462 19.4-160.8 -75.0 130.0 17.3 -16.3 -8.9 113 118 A V E +ad 16 144A 0 -98,-2.8 -96,-2.6 -2,-0.2 2,-0.3 -0.951 32.1 141.6-106.0 121.3 18.7 -13.5 -6.6 114 119 A A E > - d 0 145A 0 30,-1.9 32,-1.6 -2,-0.6 3,-1.2 -0.993 57.1 -99.1-158.1 155.8 16.6 -13.0 -3.5 115 120 A H T 3 S- 0 0 29 1,-0.3 5,-0.2 -98,-0.3 30,-0.1 -0.711 118.5 -0.5 -84.1 116.5 16.8 -12.3 0.2 116 121 A N T >> S- 0 0 51 -2,-0.7 3,-1.2 231,-0.1 4,-0.6 0.946 95.7-165.7 59.9 54.5 16.4 -15.6 1.9 117 122 A A H <> S+ 0 0 2 -3,-1.2 4,-3.1 1,-0.3 3,-0.4 0.748 70.8 67.3 -46.7 -48.0 16.1 -16.9 -1.7 118 123 A N H 3> S+ 0 0 62 1,-0.3 4,-4.9 2,-0.2 -1,-0.3 0.881 97.4 57.3 -43.0 -50.9 14.8 -20.4 -1.1 119 124 A F H <> S+ 0 0 61 -3,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.933 115.3 34.7 -42.0 -60.9 11.5 -18.9 0.2 120 125 A D H X S+ 0 0 4 -4,-0.6 4,-2.8 -3,-0.4 -2,-0.2 0.968 119.6 50.0 -65.0 -51.7 10.9 -17.0 -3.0 121 126 A H H X S+ 0 0 17 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.886 109.9 53.8 -50.9 -44.0 12.5 -19.7 -5.2 122 127 A S H X S+ 0 0 43 -4,-4.9 4,-2.2 -5,-0.4 -1,-0.2 0.957 110.6 44.6 -53.5 -55.9 10.2 -22.2 -3.4 123 128 A F H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.895 112.0 52.6 -60.2 -43.1 7.1 -20.2 -4.1 124 129 A M H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 3,-0.5 0.972 110.3 45.3 -57.9 -58.7 8.0 -19.6 -7.8 125 130 A M H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.932 113.1 51.4 -50.9 -50.3 8.6 -23.2 -8.6 126 131 A A H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.3 0.835 110.7 49.6 -55.7 -35.2 5.4 -24.2 -6.8 127 132 A A H X S+ 0 0 4 -4,-1.9 4,-1.9 -3,-0.5 -1,-0.2 0.869 108.4 51.3 -73.5 -38.3 3.6 -21.5 -8.8 128 133 A A H <>S+ 0 0 7 -4,-2.6 5,-2.2 2,-0.2 4,-0.5 0.848 109.2 53.3 -64.9 -34.7 5.0 -22.8 -12.1 129 134 A E H ><5S+ 0 0 129 -4,-2.3 3,-2.0 -5,-0.3 -2,-0.2 0.984 109.8 44.4 -63.8 -59.3 3.8 -26.3 -11.1 130 135 A R H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.864 116.9 49.3 -49.2 -37.9 0.2 -25.2 -10.5 131 136 A A T 3<5S- 0 0 23 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.575 105.4-133.5 -80.9 -9.4 0.6 -23.3 -13.7 132 137 A S T < 5 + 0 0 99 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.704 45.5 169.2 60.9 19.1 2.0 -26.3 -15.5 133 138 A L < - 0 0 32 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.269 12.2-167.9 -59.2 147.4 4.6 -23.9 -16.9 134 139 A K + 0 0 151 -3,-0.1 -1,-0.0 1,-0.1 -5,-0.0 -0.912 56.7 41.7-138.0 165.8 7.6 -25.6 -18.7 135 140 A R S S- 0 0 177 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.543 72.2-170.7 74.1 7.5 11.0 -24.7 -20.0 136 141 A N - 0 0 16 1,-0.2 -1,-0.2 -3,-0.1 -11,-0.0 -0.011 16.1-151.0 -32.1 118.5 11.6 -22.6 -16.8 137 142 A P + 0 0 6 0, 0.0 -27,-1.8 0, 0.0 2,-0.2 0.465 65.3 97.3 -80.8 -4.0 14.8 -20.7 -17.4 138 143 A F E S-d 110 0A 2 -29,-0.1 -27,-0.2 1,-0.1 -3,-0.0 -0.546 85.6-101.2 -85.5 153.0 15.7 -20.6 -13.7 139 144 A H E - 0 0 27 -29,-1.1 -27,-0.2 3,-0.3 -1,-0.1 -0.549 27.2-133.7 -71.7 136.3 18.0 -23.0 -12.0 140 145 A P E S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -15,-0.0 0.693 93.5 0.2 -66.8 -24.2 16.1 -25.7 -10.1 141 146 A F E S+ 0 0 131 1,-0.0 2,-0.5 181,-0.0 182,-0.2 0.399 104.7 98.4-146.7 -2.2 18.2 -25.5 -6.8 142 147 A A E + 0 0 8 209,-0.0 -30,-0.6 2,-0.0 2,-0.3 -0.828 45.5 166.0 -98.7 128.3 20.9 -22.9 -7.2 143 148 A T E -d 112 0A 20 -2,-0.5 2,-0.8 -32,-0.1 -30,-0.2 -0.979 38.7-131.2-140.2 150.2 20.3 -19.4 -5.8 144 149 A F E -d 113 0A 3 -32,-2.5 -30,-1.9 -2,-0.3 2,-0.7 -0.889 29.8-156.3 -99.1 104.1 22.1 -16.2 -4.9 145 150 A D E > -d 114 0A 9 -2,-0.8 4,-2.4 -32,-0.2 3,-0.4 -0.732 11.9-163.2 -88.7 111.6 21.0 -15.4 -1.3 146 151 A T H > S+ 0 0 1 -32,-1.6 4,-1.6 -2,-0.7 -31,-0.2 0.666 90.1 62.2 -67.4 -15.9 21.3 -11.7 -0.5 147 152 A A H > S+ 0 0 5 -33,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.913 109.4 39.2 -73.1 -43.6 21.0 -12.6 3.2 148 153 A A H > S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.908 116.0 50.9 -71.0 -45.6 24.2 -14.6 3.1 149 154 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.890 109.1 51.2 -60.3 -40.7 26.0 -12.2 0.8 150 155 A A H X>S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 6,-1.5 0.806 104.8 58.9 -67.0 -28.0 25.2 -9.3 3.0 151 156 A G H <5S+ 0 0 0 -4,-0.9 -1,-0.2 4,-0.3 -2,-0.2 0.881 112.7 38.0 -66.7 -38.8 26.5 -11.4 5.9 152 157 A L H <5S+ 0 0 3 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.1 0.946 126.0 34.9 -74.6 -52.8 29.9 -11.6 4.2 153 158 A A H <5S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.854 138.8 12.0 -74.3 -38.4 30.1 -8.1 2.7 154 159 A L T <5S- 0 0 6 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.1 0.606 92.9-119.5-118.4 -19.5 28.3 -6.1 5.4 155 160 A G S S- 0 0 55 1,-0.1 4,-1.6 -8,-0.1 5,-0.1 -0.300 75.1-135.5 -62.4 146.1 18.4 -8.7 7.7 159 164 A L H > S+ 0 0 19 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.920 103.6 49.9 -69.8 -45.8 17.5 -6.8 4.5 160 165 A S H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.990 115.4 39.6 -51.8 -69.7 16.7 -3.6 6.4 161 166 A K H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.805 115.1 55.2 -56.4 -33.2 19.9 -3.5 8.5 162 167 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.943 109.0 45.7 -64.3 -49.1 21.9 -4.6 5.4 163 168 A C H <>S+ 0 0 0 -4,-2.6 5,-2.3 -3,-0.3 4,-0.4 0.891 115.5 47.8 -61.9 -38.3 20.7 -1.9 3.2 164 169 A Q H ><5S+ 0 0 105 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.889 112.5 46.9 -71.1 -41.3 21.3 0.7 6.0 165 170 A T H 3<5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 106.7 58.6 -69.2 -35.1 24.8 -0.4 6.8 166 171 A A T 3<5S- 0 0 25 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.620 124.6-103.9 -69.5 -13.3 25.7 -0.5 3.1 167 172 A G T < 5S+ 0 0 63 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.415 78.7 133.0 103.7 0.9 24.8 3.1 2.9 168 173 A M < - 0 0 15 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.351 59.3-116.0 -79.7 162.7 21.5 2.7 1.2 169 174 A D - 0 0 126 -2,-0.1 2,-0.5 2,-0.0 -5,-0.1 -0.903 33.6-173.4-101.2 126.7 18.2 4.4 2.2 170 175 A F - 0 0 26 -2,-0.5 2,-1.0 -10,-0.0 3,-0.1 -0.938 17.1-159.4-130.5 110.8 15.6 1.9 3.3 171 176 A D >> - 0 0 77 -2,-0.5 3,-0.9 1,-0.2 4,-0.7 -0.769 8.3-168.5 -90.0 103.1 12.0 2.8 4.1 172 177 A S H >> S+ 0 0 62 -2,-1.0 4,-0.6 1,-0.3 3,-0.5 0.813 83.0 57.8 -63.7 -33.1 10.8 -0.1 6.3 173 178 A T H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.760 109.1 45.6 -71.5 -24.7 7.1 0.9 6.1 174 179 A Q H X4 S+ 0 0 92 -3,-0.9 3,-1.2 1,-0.1 6,-0.3 0.549 92.3 87.6 -88.7 -10.6 7.2 0.6 2.3 175 180 A A H << S+ 0 0 15 -4,-0.7 6,-0.4 -3,-0.5 -2,-0.2 0.909 70.4 70.2 -56.8 -48.9 9.1 -2.7 2.5 176 181 A H T 3< S+ 0 0 62 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 0.791 83.5 91.5 -39.8 -36.9 5.9 -4.9 2.7 177 182 A S S <> S- 0 0 49 -3,-1.2 4,-1.5 -4,-0.1 5,-0.1 -0.343 77.0-137.8 -65.2 142.9 5.3 -3.9 -0.9 178 183 A A H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.952 97.6 49.2 -67.8 -54.3 6.8 -6.2 -3.6 179 184 A L H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.804 110.7 52.3 -59.5 -32.5 8.1 -3.8 -6.1 180 185 A Y H > S+ 0 0 53 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.928 111.2 45.7 -70.6 -44.8 9.9 -1.8 -3.4 181 186 A D H X S+ 0 0 21 -4,-1.5 4,-3.1 -6,-0.4 5,-0.2 0.937 110.0 52.5 -62.5 -49.2 11.7 -4.8 -2.0 182 187 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.795 113.4 47.6 -58.5 -27.3 12.7 -6.2 -5.4 183 188 A E H X S+ 0 0 73 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.942 112.9 44.3 -79.3 -51.2 14.2 -2.7 -6.0 184 189 A R H X S+ 0 0 32 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.835 117.8 48.9 -60.7 -33.5 16.0 -2.4 -2.7 185 190 A T H X S+ 0 0 3 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.959 108.0 50.7 -69.1 -54.3 17.2 -5.9 -3.1 186 191 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.879 112.4 47.8 -53.2 -43.2 18.5 -5.6 -6.7 187 192 A V H X S+ 0 0 27 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.900 107.0 56.5 -65.8 -43.5 20.5 -2.5 -5.8 188 193 A L H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.965 107.7 48.1 -50.4 -58.1 22.0 -4.2 -2.7 189 194 A F H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.3 5,-0.3 0.899 112.7 48.8 -48.5 -48.9 23.3 -7.0 -4.9 190 195 A C H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.2 -143,-0.3 0.863 112.7 47.8 -63.8 -36.3 24.7 -4.5 -7.4 191 196 A E H X S+ 0 0 73 -4,-2.8 4,-2.2 -3,-0.2 -2,-0.2 0.879 113.7 47.2 -71.5 -38.0 26.4 -2.5 -4.5 192 197 A I H X S+ 0 0 6 -4,-3.1 4,-1.4 -5,-0.2 -2,-0.2 0.943 116.8 42.9 -66.1 -48.8 27.8 -5.7 -3.0 193 198 A V H X S+ 0 0 4 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.895 116.7 47.4 -64.0 -42.7 29.2 -6.9 -6.3 194 199 A N H X S+ 0 0 21 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.888 108.4 52.1 -71.9 -40.1 30.5 -3.5 -7.4 195 200 A R H X S+ 0 0 52 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.866 106.3 57.5 -61.1 -35.8 32.2 -2.7 -4.2 196 201 A W H <>S+ 0 0 2 -4,-1.4 5,-2.6 1,-0.2 6,-0.4 0.917 106.7 47.6 -58.9 -44.5 33.9 -6.1 -4.5 197 202 A K H ><5S+ 0 0 50 -4,-1.4 3,-1.3 4,-0.2 -2,-0.2 0.869 108.4 56.0 -63.8 -38.4 35.2 -4.9 -7.9 198 203 A R H 3<5S+ 0 0 152 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.885 102.4 53.6 -62.9 -40.9 36.4 -1.6 -6.4 199 204 A L T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.360 125.3-103.1 -78.3 8.9 38.5 -3.3 -3.7 200 205 A G T < 5S+ 0 0 47 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.683 84.7 131.6 78.9 19.7 40.2 -5.2 -6.5 201 206 A G < + 0 0 2 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.769 54.4 80.8 -72.8 -26.9 38.3 -8.4 -5.8 202 207 A W S S+ 0 0 31 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -1.000 76.0 38.2-138.6 137.4 37.4 -8.9 -9.4 203 208 A P S S- 0 0 65 0, 0.0 -195,-0.0 0, 0.0 155,-0.0 0.546 87.8-129.0 -64.8 179.1 38.8 -9.9 -11.8 204 209 A L 0 0 53 -2,-0.2 -2,-0.1 154,-0.1 155,-0.0 0.666 360.0 360.0 -80.0 -19.9 40.5 -12.7 -9.9 205 210 A S 0 0 162 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.994 360.0 360.0 68.6 360.0 44.1 -12.2 -11.0 206 !* 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 0.0 207 8 B T 0 0 135 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.4 36.7 -7.7 17.0 208 9 B G >> - 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