==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 13-MAY-10 2KXV . COMPND 2 MOLECULE: TELLURITE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR Y.R.PAN,Y.C.LOU,J.RIZO,C.CHEN . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.6 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 109 0, 0.0 2,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 -20.3 7.9 -17.8 3.1 2 2 A M - 0 0 49 147,-0.3 3,-0.2 1,-0.2 147,-0.1 -0.286 360.0-172.0 -52.0 114.8 6.1 -14.9 4.9 3 3 A K S S+ 0 0 119 1,-0.3 75,-1.2 -2,-0.1 2,-0.4 0.779 74.2 20.4 -83.1 -25.7 3.0 -16.7 6.3 4 4 A N - 0 0 19 72,-0.2 113,-1.2 73,-0.1 112,-0.4 -0.972 69.9-167.0-146.0 128.3 1.4 -13.4 7.5 5 5 A V E -A 75 0A 2 70,-2.3 70,-2.4 -2,-0.4 2,-0.3 -0.851 4.1-175.7-115.0 151.6 2.2 -9.8 6.4 6 6 A L E -AB 74 114A 37 108,-1.8 108,-1.4 -2,-0.3 68,-0.2 -0.844 9.3-158.7-148.8 107.6 1.2 -6.6 8.0 7 7 A V E -AB 73 113A 14 66,-2.1 66,-1.3 -2,-0.3 2,-0.4 -0.566 8.0-166.3 -85.8 151.2 1.9 -3.1 6.5 8 8 A G E -AB 72 112A 4 104,-3.4 104,-1.4 64,-0.2 2,-0.4 -0.923 5.8-170.9-143.1 117.2 2.0 -0.0 8.7 9 9 A L E +AB 71 111A 2 62,-2.5 62,-0.9 -2,-0.4 61,-0.4 -0.858 15.1 168.8-105.9 138.8 2.0 3.6 7.5 10 10 A G E + B 0 110A 0 100,-2.5 100,-2.8 -2,-0.4 2,-0.3 -0.998 5.3 161.8-148.6 152.1 2.5 6.5 10.0 11 11 A W - 0 0 8 53,-0.3 2,-0.4 -2,-0.3 98,-0.2 -0.990 42.2 -94.6-164.7 159.3 3.2 10.2 9.9 12 12 A D - 0 0 98 -2,-0.3 95,-0.6 96,-0.2 96,-0.2 -0.673 38.7-145.1 -83.6 128.6 3.1 13.3 12.1 13 13 A A - 0 0 41 -2,-0.4 2,-0.4 51,-0.2 51,-0.1 -0.620 6.8-156.8 -91.4 152.7 -0.2 15.3 11.7 14 14 A R - 0 0 173 -2,-0.2 2,-0.9 49,-0.2 -2,-0.0 -0.903 2.4-165.1-132.8 106.8 -0.3 19.1 11.9 15 15 A S + 0 0 88 -2,-0.4 5,-0.2 1,-0.2 -2,-0.0 -0.773 17.5 164.8 -93.7 105.6 -3.6 20.9 12.8 16 16 A T S S- 0 0 105 3,-1.0 -1,-0.2 -2,-0.9 4,-0.1 0.935 82.4 -34.3 -84.4 -52.0 -3.3 24.6 11.9 17 17 A D S S- 0 0 125 2,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.190 120.6 -41.4-155.7 16.2 -7.0 25.5 12.0 18 18 A G S S+ 0 0 56 1,-0.6 2,-0.2 0, 0.0 -3,-0.0 0.037 108.9 102.9 141.7 -27.8 -8.9 22.4 10.8 19 19 A Q + 0 0 122 44,-0.0 -3,-1.0 2,-0.0 -1,-0.6 -0.545 42.7 160.9 -83.7 151.0 -6.7 21.2 7.8 20 20 A D - 0 0 45 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.1 -0.964 41.3 -91.9-157.9 172.3 -4.4 18.2 8.3 21 21 A F + 0 0 23 42,-0.4 2,-0.4 -2,-0.3 41,-0.1 -0.786 37.7 176.2 -96.2 135.0 -2.5 15.6 6.3 22 22 A D - 0 0 18 -2,-0.4 72,-1.3 42,-0.1 74,-0.2 -0.837 8.4-166.8-141.1 103.1 -4.3 12.3 5.6 23 23 A L E -G 93 0B 0 -2,-0.4 2,-0.4 70,-0.2 70,-0.2 -0.436 13.5-139.7 -83.4 163.2 -2.6 9.6 3.4 24 24 A D E -G 92 0B 8 68,-2.2 68,-2.1 -2,-0.1 2,-0.3 -0.984 7.0-149.2-127.7 130.4 -4.6 6.6 2.0 25 25 A A E +G 91 0B 9 -2,-0.4 2,-0.3 66,-0.2 66,-0.2 -0.741 23.8 166.9 -97.6 145.2 -3.3 3.0 1.8 26 26 A S E -G 90 0B 4 64,-2.5 64,-2.5 -2,-0.3 2,-0.4 -0.959 24.2-148.2-149.5 167.7 -4.4 0.6 -0.9 27 27 A A E -GH 89 43B 4 16,-0.9 16,-1.1 -2,-0.3 2,-0.5 -0.963 9.8-157.3-144.3 123.4 -3.6 -2.8 -2.5 28 28 A F E -G 88 0B 1 60,-1.5 60,-1.7 -2,-0.4 2,-0.1 -0.864 16.5-132.8-105.2 132.5 -4.1 -3.8 -6.1 29 29 A L E -G 87 0B 23 -2,-0.5 2,-0.3 10,-0.3 58,-0.2 -0.473 23.2-171.1 -77.7 151.6 -4.4 -7.4 -7.2 30 30 A L E -G 86 0B 18 56,-2.0 56,-1.5 -2,-0.1 55,-1.1 -0.943 12.6-143.1-147.7 124.3 -2.3 -8.6 -10.2 31 31 A A > - 0 0 17 -2,-0.3 3,-0.8 4,-0.3 53,-0.1 -0.299 27.0-116.2 -78.6 169.8 -2.5 -11.9 -12.0 32 32 A A T 3 S+ 0 0 73 51,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.512 104.2 84.0 -84.6 -2.1 0.7 -13.6 -13.4 33 33 A N T 3 S- 0 0 132 2,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.620 116.8-102.6 -74.9 -8.5 -0.8 -13.2 -16.9 34 34 A G S < S+ 0 0 51 -3,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.367 100.8 70.0 102.7 -3.5 0.6 -9.7 -16.9 35 35 A K S S- 0 0 106 136,-0.1 -2,-0.4 137,-0.0 -4,-0.3 -0.998 87.2-109.0-145.5 139.3 -2.8 -8.1 -16.2 36 36 A V - 0 0 13 133,-0.6 3,-0.3 -2,-0.3 -6,-0.1 -0.381 27.6-122.3 -66.3 144.7 -5.0 -8.1 -13.1 37 37 A R S S- 0 0 134 1,-0.3 -1,-0.2 2,-0.1 -7,-0.1 0.493 98.8 -19.5 -66.2 4.9 -8.1 -10.1 -13.5 38 38 A G > - 0 0 18 -9,-0.2 3,-2.6 1,-0.0 -1,-0.3 -0.052 55.3-148.5 152.0 100.1 -9.7 -6.8 -12.6 39 39 A D G > S+ 0 0 44 -3,-0.3 3,-1.0 1,-0.3 -10,-0.3 0.883 98.1 74.6 -52.8 -35.8 -8.1 -3.8 -11.0 40 40 A A G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -12,-0.1 127,-0.1 0.589 77.2 80.5 -56.3 -2.7 -11.5 -3.0 -9.5 41 41 A D G < + 0 0 59 -3,-2.6 2,-0.3 -12,-0.1 -1,-0.3 0.071 67.3 122.8 -92.1 27.1 -10.6 -6.0 -7.2 42 42 A F < - 0 0 44 -3,-1.0 2,-0.2 -14,-0.1 -14,-0.2 -0.687 66.0-118.1 -90.7 141.2 -8.5 -3.7 -5.0 43 43 A I B +H 27 0B 12 -16,-1.1 -16,-0.9 -2,-0.3 2,-0.2 -0.542 48.1 146.4 -78.4 140.6 -9.3 -3.4 -1.3 44 44 A F > - 0 0 32 -2,-0.2 3,-1.6 -18,-0.1 13,-0.1 -0.797 67.3 -66.7-152.6-166.4 -10.3 0.0 -0.1 45 45 A Y T 3 S+ 0 0 187 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.747 125.1 69.8 -68.3 -17.6 -12.6 1.6 2.6 46 46 A N T 3 S+ 0 0 76 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.382 101.8 50.2 -80.1 9.2 -15.5 0.2 0.5 47 47 A N < - 0 0 72 -3,-1.6 10,-0.3 1,-0.1 -1,-0.2 -0.812 64.9-161.6-149.0 104.4 -14.4 -3.3 1.7 48 48 A L S S- 0 0 144 -2,-0.3 9,-1.5 1,-0.2 2,-0.3 0.900 81.0 -25.5 -53.1 -38.6 -13.8 -4.1 5.4 49 49 A K B S-C 56 0A 131 7,-0.2 7,-0.3 -4,-0.0 -1,-0.2 -0.978 75.9 -85.2-169.2 158.3 -11.8 -7.1 4.2 50 50 A S - 0 0 33 5,-2.5 4,-0.3 -2,-0.3 -3,-0.0 -0.456 28.0-146.9 -71.6 143.1 -11.6 -9.6 1.2 51 51 A A S S+ 0 0 94 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 0.916 98.2 6.7 -77.6 -42.4 -14.0 -12.5 1.4 52 52 A D S S+ 0 0 121 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.453 120.2 73.8-116.2 -7.4 -11.6 -15.0 -0.3 53 53 A G S S- 0 0 14 27,-0.1 26,-0.2 2,-0.1 23,-0.2 0.613 87.9-142.3 -82.7 -9.8 -8.5 -12.8 -0.5 54 54 A S + 0 0 31 -4,-0.3 22,-1.1 1,-0.2 2,-0.3 0.724 56.7 137.5 57.3 15.3 -8.0 -13.2 3.3 55 55 A V E - D 0 75A 15 20,-0.2 -5,-2.5 24,-0.1 2,-0.4 -0.689 32.4-175.4 -93.1 146.6 -6.9 -9.6 3.1 56 56 A T E -CD 49 74A 36 18,-2.7 18,-3.3 -2,-0.3 2,-0.4 -0.981 18.1-141.3-145.0 131.2 -8.1 -7.1 5.8 57 57 A H E - D 0 73A 21 -9,-1.5 16,-0.2 -2,-0.4 3,-0.1 -0.759 7.8-148.4 -92.5 132.3 -7.6 -3.3 6.2 58 58 A T - 0 0 73 14,-2.0 2,-0.2 -2,-0.4 -1,-0.2 0.976 61.8 -69.8 -63.9 -52.7 -6.9 -2.0 9.7 59 59 A G - 0 0 34 13,-0.6 2,-0.7 2,-0.0 13,-0.3 -0.592 37.1-109.4 160.9 135.3 -8.6 1.3 9.1 60 60 A D - 0 0 59 -2,-0.2 -36,-0.1 11,-0.1 11,-0.1 -0.702 36.8-147.9 -84.0 116.1 -8.0 4.5 7.0 61 61 A N - 0 0 48 -2,-0.7 -1,-0.0 -38,-0.1 -39,-0.0 0.053 6.2-146.0 -68.0-171.6 -7.1 7.4 9.4 62 62 A R S S+ 0 0 207 -41,-0.1 -1,-0.1 3,-0.1 -42,-0.1 0.278 88.8 7.1-141.1 5.2 -8.1 11.0 8.7 63 63 A T S S- 0 0 27 2,-0.1 -42,-0.4 -40,-0.1 -49,-0.2 0.360 96.7-106.3-157.1 -35.0 -5.2 13.0 10.2 64 64 A G + 0 0 2 1,-0.2 2,-0.5 -51,-0.1 -53,-0.3 0.474 54.3 165.1 108.4 6.7 -2.5 10.6 11.3 65 65 A E + 0 0 153 -53,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.382 37.3 90.4 -58.4 110.4 -3.2 11.0 15.1 66 66 A G S S- 0 0 49 -2,-0.5 2,-1.7 -55,-0.1 -55,-0.3 -0.396 72.2-131.4 159.6 119.4 -1.3 8.0 16.5 67 67 A D S S+ 0 0 179 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.091 93.3 40.1 -77.6 43.9 2.3 7.5 17.8 68 68 A G S S- 0 0 35 -2,-1.7 2,-1.0 -57,-0.1 -57,-0.3 -0.878 117.0 -26.0-163.7-164.7 2.5 4.3 15.7 69 69 A D - 0 0 83 -2,-0.2 -59,-0.3 1,-0.2 -60,-0.2 -0.415 57.5-164.7 -62.3 99.4 1.6 2.8 12.3 70 70 A D S S+ 0 0 14 -2,-1.0 -60,-0.2 -61,-0.4 -1,-0.2 0.962 70.2 18.8 -50.4 -81.5 -1.4 5.0 11.5 71 71 A E E S+A 9 0A 0 -62,-0.9 -62,-2.5 -13,-0.1 2,-0.3 -0.425 76.8 170.5 -86.6 166.8 -3.0 3.0 8.7 72 72 A S E -A 8 0A 1 -13,-0.3 -14,-2.0 -64,-0.2 -13,-0.6 -0.990 23.0-144.5-167.0 165.1 -2.1 -0.7 8.0 73 73 A L E -AD 7 57A 3 -66,-1.3 -66,-2.1 -2,-0.3 2,-0.5 -0.970 9.7-149.4-144.2 126.9 -3.2 -3.8 6.0 74 74 A K E +AD 6 56A 92 -18,-3.3 -18,-2.7 -2,-0.4 2,-0.4 -0.815 17.6 178.4 -97.6 130.8 -3.2 -7.5 7.1 75 75 A I E -AD 5 55A 2 -70,-2.4 -70,-2.3 -2,-0.5 2,-1.6 -0.899 17.6-161.3-135.2 108.5 -2.5 -10.1 4.3 76 76 A K > - 0 0 94 -22,-1.1 3,-2.8 -2,-0.4 -72,-0.2 -0.596 7.6-174.8 -87.2 81.8 -2.4 -13.8 5.2 77 77 A L G > S+ 0 0 4 -2,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.787 79.4 74.9 -48.9 -22.9 -0.6 -15.0 2.0 78 78 A D G 3 S+ 0 0 88 -75,-1.2 -1,-0.3 1,-0.3 -74,-0.1 0.449 101.9 40.3 -71.4 5.2 -1.2 -18.5 3.5 79 79 A A G < S+ 0 0 40 -3,-2.8 -1,-0.3 -26,-0.2 -2,-0.2 0.114 79.6 125.0-138.5 22.0 -4.8 -18.0 2.4 80 80 A V < - 0 0 22 -3,-1.5 -27,-0.1 -4,-0.1 -26,-0.1 -0.758 61.6-124.4 -87.9 114.1 -4.5 -16.3 -1.1 81 81 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.192 24.3-105.8 -44.3 174.9 -6.4 -18.4 -3.7 82 82 A G S S+ 0 0 61 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.467 107.5 81.3 -87.9 0.4 -4.5 -19.6 -6.8 83 83 A D S S+ 0 0 108 -52,-0.1 -51,-0.4 2,-0.0 2,-0.2 0.991 88.9 49.1 -69.3 -59.5 -6.3 -17.0 -8.9 84 84 A V + 0 0 9 -53,-0.1 -53,-0.2 1,-0.1 3,-0.1 -0.515 56.6 173.0 -79.6 148.9 -4.1 -14.1 -8.1 85 85 A D + 0 0 29 -55,-1.1 59,-1.2 1,-0.3 2,-0.3 0.352 66.3 37.6-134.6 -1.9 -0.3 -14.6 -8.3 86 86 A K E +GI 30 143B 64 -56,-1.5 -56,-2.0 57,-0.2 -1,-0.3 -0.951 60.0 180.0-154.8 131.1 1.0 -11.0 -7.7 87 87 A I E -GI 29 142B 9 55,-2.0 55,-2.5 -2,-0.3 2,-0.3 -0.942 6.9-162.5-131.4 153.8 -0.1 -8.2 -5.4 88 88 A I E -GI 28 141B 0 -60,-1.7 -60,-1.5 -2,-0.3 2,-0.3 -0.973 9.6-142.2-136.9 152.3 1.2 -4.7 -4.7 89 89 A F E -GI 27 140B 9 51,-0.8 50,-0.7 -2,-0.3 51,-0.5 -0.845 21.5-179.0-112.2 148.8 0.7 -2.1 -2.0 90 90 A V E -GI 26 138B 2 -64,-2.5 -64,-2.5 -2,-0.3 2,-0.4 -0.990 19.5-155.3-146.5 156.5 0.4 1.7 -2.5 91 91 A V E +GI 25 137B 9 46,-2.4 46,-1.3 -2,-0.3 2,-0.3 -0.952 19.4 179.7-135.4 113.2 0.0 4.9 -0.6 92 92 A T E -G 24 0B 6 -68,-2.1 -68,-2.2 -2,-0.4 2,-0.2 -0.864 32.7-108.2-116.0 150.8 -1.6 8.0 -2.3 93 93 A I E -G 23 0B 5 42,-0.5 -70,-0.2 -2,-0.3 4,-0.1 -0.517 34.8-128.8 -74.3 138.9 -2.3 11.5 -0.9 94 94 A H > - 0 0 78 -72,-1.3 3,-1.3 -2,-0.2 4,-0.2 0.528 64.4 -46.5 -61.9-138.8 -6.0 12.1 -0.3 95 95 A D G >> S+ 0 0 89 1,-0.3 3,-1.9 2,-0.2 4,-1.1 0.731 122.0 89.5 -71.2 -18.2 -7.5 15.3 -1.8 96 96 A A G 34 S+ 0 0 18 1,-0.3 5,-0.5 -74,-0.2 -1,-0.3 0.773 74.4 72.9 -51.2 -19.3 -4.6 17.3 -0.4 97 97 A Q G X4 S+ 0 0 62 -3,-1.3 3,-1.6 3,-0.2 -1,-0.3 0.934 93.4 50.5 -62.9 -42.7 -3.1 16.4 -3.8 98 98 A A T <4 S+ 0 0 57 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.957 107.8 51.5 -61.0 -47.5 -5.4 18.9 -5.5 99 99 A R T 3< S- 0 0 173 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.383 125.2-109.5 -71.1 11.2 -4.4 21.7 -3.0 100 100 A R S < S+ 0 0 208 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.984 71.8 139.4 59.0 79.7 -0.8 20.7 -4.0 101 101 A Q - 0 0 37 -5,-0.5 -1,-0.1 -4,-0.1 -3,-0.1 -0.369 27.2-175.5-150.9 64.4 0.4 19.0 -0.8 102 102 A S > - 0 0 34 -5,-0.1 3,-2.8 1,-0.1 4,-0.5 -0.067 52.3 -88.1 -56.1 165.8 2.5 15.9 -1.6 103 103 A F G > S+ 0 0 2 32,-0.4 3,-3.1 1,-0.3 6,-0.2 0.865 127.4 72.9 -47.6 -34.3 3.6 13.8 1.4 104 104 A G G 3 S+ 0 0 30 30,-0.3 -1,-0.3 1,-0.3 28,-0.1 0.874 83.1 68.3 -50.9 -33.5 6.6 16.1 1.5 105 105 A Q G < S+ 0 0 109 -3,-2.8 -1,-0.3 26,-0.1 -2,-0.2 0.807 90.5 80.6 -57.6 -24.1 4.3 18.8 2.8 106 106 A V S < S- 0 0 11 -3,-3.1 -93,-0.1 -4,-0.5 3,-0.0 -0.197 99.4-108.7 -74.7 173.8 4.1 16.6 6.0 107 107 A S S S- 0 0 85 -95,-0.6 -1,-0.1 1,-0.1 -94,-0.1 0.735 89.6 -44.0 -78.1 -19.5 6.8 16.7 8.6 108 108 A G - 0 0 18 -96,-0.2 -96,-0.2 -5,-0.2 -1,-0.1 0.139 62.5-161.3 152.3 82.2 8.1 13.2 7.6 109 109 A A - 0 0 3 -6,-0.2 18,-1.3 -98,-0.2 19,-0.7 -0.318 13.3-163.9 -75.6 164.6 5.8 10.3 6.9 110 110 A F E -BE 10 126A 46 -100,-2.8 -100,-2.5 16,-0.2 2,-0.3 -0.997 13.3-141.1-152.4 146.8 7.1 6.7 6.9 111 111 A I E -B 9 0A 3 14,-2.2 2,-0.3 -2,-0.3 -102,-0.2 -0.765 18.3-168.7-105.7 152.6 6.1 3.2 5.7 112 112 A R E -B 8 0A 103 -104,-1.4 -104,-3.4 -2,-0.3 2,-0.4 -0.999 6.7-168.8-144.1 140.7 6.7 0.0 7.7 113 113 A L E +BF 7 123A 1 10,-2.1 9,-3.7 -2,-0.3 10,-1.1 -0.989 12.4 166.7-130.4 136.8 6.4 -3.7 6.9 114 114 A V E -BF 6 121A 28 -108,-1.4 -108,-1.8 -2,-0.4 2,-1.1 -1.000 38.8-118.4-147.6 147.8 6.5 -6.7 9.3 115 115 A N > - 0 0 18 5,-0.9 4,-3.8 -2,-0.3 3,-0.4 -0.722 17.1-158.1 -87.6 103.1 5.7 -10.4 9.1 116 116 A D T 4 S+ 0 0 87 -2,-1.1 -111,-0.2 -112,-0.4 -1,-0.2 0.663 93.1 62.3 -55.9 -7.3 2.9 -10.8 11.7 117 117 A D T 4 S+ 0 0 85 -113,-1.2 -1,-0.2 3,-0.1 -112,-0.1 0.935 119.6 17.3 -84.1 -52.0 4.1 -14.5 11.5 118 118 A N T 4 S- 0 0 105 -3,-0.4 -2,-0.2 -114,-0.3 3,-0.1 0.657 96.3-134.9 -94.0 -17.5 7.7 -14.0 12.7 119 119 A Q < + 0 0 161 -4,-3.8 2,-0.4 1,-0.2 -3,-0.2 0.982 57.6 133.8 63.0 55.6 7.1 -10.5 14.2 120 120 A T - 0 0 58 -5,-0.4 -5,-0.9 0, 0.0 -1,-0.2 -0.939 63.3-112.6-140.4 116.2 10.2 -8.9 12.8 121 121 A E E -F 114 0A 131 -2,-0.4 -7,-0.3 -7,-0.2 3,-0.1 -0.173 29.4-169.6 -46.1 128.0 10.3 -5.5 11.1 122 122 A V E - 0 0 58 -9,-3.7 2,-0.3 1,-0.3 -8,-0.2 0.900 53.7 -46.3 -91.0 -49.6 11.1 -6.2 7.4 123 123 A A E -F 113 0A 49 -10,-1.1 -10,-2.1 2,-0.0 -1,-0.3 -0.988 41.8-147.8-170.8 174.7 11.7 -2.6 6.1 124 124 A R - 0 0 128 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.867 11.4-148.1-160.5 121.9 10.5 1.0 6.0 125 125 A Y - 0 0 71 -2,-0.3 -14,-2.2 5,-0.0 2,-0.7 -0.674 18.5-129.3 -92.9 148.0 10.8 3.6 3.3 126 126 A D B >> -E 110 0A 61 -2,-0.3 4,-1.5 -16,-0.2 3,-1.4 -0.839 9.9-160.8 -99.0 117.5 11.1 7.4 4.2 127 127 A L H 3> S+ 0 0 0 -18,-1.3 4,-2.0 -2,-0.7 5,-0.3 0.946 89.3 69.6 -61.2 -46.1 8.6 9.6 2.3 128 128 A T H 34 S+ 0 0 85 -19,-0.7 4,-0.4 1,-0.2 -1,-0.3 0.757 105.5 45.9 -45.1 -19.5 10.7 12.7 3.0 129 129 A E H <4 S+ 0 0 118 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.916 126.2 24.3 -90.5 -54.7 13.1 11.0 0.5 130 130 A D H < S+ 0 0 30 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.181 109.4 82.9 -94.8 18.3 10.7 9.9 -2.3 131 131 A A S >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 -27,-0.2 0.928 82.2 53.5 -86.5 -52.7 8.2 12.6 -1.3 132 132 A S T 3 S+ 0 0 111 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 0.508 101.0 70.6 -61.8 2.9 9.7 15.7 -3.1 133 133 A T T 3 S- 0 0 98 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.809 116.6 -43.6 -91.0 -32.1 9.5 13.4 -6.2 134 134 A E < - 0 0 23 -3,-1.6 -30,-0.3 -4,-0.4 25,-0.1 -0.795 55.6 -92.8-166.3-150.2 5.7 13.3 -6.6 135 135 A T S S+ 0 0 33 23,-0.9 -42,-0.5 -2,-0.2 -32,-0.4 0.657 100.7 42.8-118.5 -36.0 2.3 13.0 -4.7 136 136 A A - 0 0 4 22,-1.3 22,-0.3 -44,-0.2 2,-0.3 -0.683 66.9-178.7-108.4 164.8 1.6 9.2 -4.9 137 137 A M E -I 91 0B 2 -46,-1.3 -46,-2.4 -2,-0.2 2,-0.5 -0.988 24.2-131.8-162.6 152.8 4.1 6.4 -4.4 138 138 A L E -IJ 90 156B 0 18,-1.3 18,-0.8 -2,-0.3 17,-0.3 -0.917 9.7-158.5-110.1 128.5 4.3 2.5 -4.3 139 139 A F E - 0 0 13 -50,-0.7 15,-0.6 -2,-0.5 16,-0.5 0.985 58.8 -65.2 -71.0 -56.8 6.1 0.8 -1.4 140 140 A G E -IJ 89 153B 0 -51,-0.5 -51,-0.8 13,-0.2 2,-0.3 -0.791 49.2 -97.7-165.5-150.8 6.9 -2.5 -3.1 141 141 A E E -IJ 88 152B 33 11,-1.1 11,-2.4 -2,-0.2 2,-0.4 -0.957 15.5-144.5-147.6 165.8 5.4 -5.6 -4.7 142 142 A L E +IJ 87 151B 2 -55,-2.5 -55,-2.0 -2,-0.3 2,-0.3 -0.998 24.9 160.0-136.3 136.6 4.6 -9.3 -3.7 143 143 A Y E -IJ 86 150B 48 7,-2.0 7,-2.1 -2,-0.4 2,-0.3 -0.969 37.9-101.6-150.9 166.0 4.8 -12.4 -6.0 144 144 A R E - J 0 149B 117 -59,-1.2 2,-0.3 -2,-0.3 5,-0.2 -0.659 31.9-176.5 -91.9 148.1 5.1 -16.2 -5.8 145 145 A H E > S- J 0 148B 105 3,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.923 70.6 -19.1-147.0 118.2 8.4 -18.0 -6.4 146 146 A N T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.836 129.1 -52.9 56.2 28.1 8.9 -21.8 -6.5 147 147 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.685 123.0 108.9 81.0 15.8 5.5 -22.0 -4.6 148 148 A E E < S-J 145 0B 105 -3,-1.8 -3,-2.3 2,-0.0 -1,-0.3 -0.984 71.4-119.8-127.8 133.6 6.8 -19.5 -2.0 149 149 A W E -J 144 0B 47 -2,-0.4 -147,-0.3 -5,-0.2 2,-0.3 -0.334 32.8-176.5 -67.1 151.7 5.8 -15.9 -1.5 150 150 A K E -J 143 0B 110 -7,-2.1 -7,-2.0 -149,-0.1 2,-0.2 -0.944 17.3-141.4-153.9 128.5 8.5 -13.3 -1.9 151 151 A F E -J 142 0B 32 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.614 17.7-175.0 -89.4 150.5 8.4 -9.5 -1.4 152 152 A R E -J 141 0B 163 -11,-2.4 -11,-1.1 -2,-0.2 2,-0.1 -0.901 15.2-143.4-149.0 116.6 10.4 -7.2 -3.8 153 153 A A E +J 140 0B 69 -2,-0.3 -13,-0.2 -13,-0.2 -14,-0.1 -0.423 23.0 167.8 -76.5 155.0 10.7 -3.4 -3.4 154 154 A V E - 0 0 76 -15,-0.6 -1,-0.1 -16,-0.2 -14,-0.1 0.515 32.1-139.4-137.2 -33.1 10.8 -1.2 -6.6 155 155 A G E + 0 0 37 -16,-0.5 2,-0.3 -17,-0.3 -16,-0.1 0.953 34.5 168.4 65.4 88.4 10.4 2.4 -5.5 156 156 A Q E -J 138 0B 71 -18,-0.8 -18,-1.3 -16,-0.0 2,-0.3 -0.817 20.7-156.6-126.7 167.7 8.0 4.1 -8.1 157 157 A G - 0 0 39 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.941 3.2-155.0-150.9 126.4 6.1 7.4 -8.2 158 158 A Y - 0 0 28 -2,-0.3 2,-2.1 -22,-0.3 -22,-1.3 -0.825 26.5-125.9-102.0 137.7 3.0 8.4 -10.1 159 159 A A S S- 0 0 101 -2,-0.4 -1,-0.1 1,-0.2 -22,-0.0 0.013 81.7 -58.5 -71.2 39.2 2.4 12.1 -10.9 160 160 A G S S+ 0 0 37 -2,-2.1 -1,-0.2 1,-0.1 -68,-0.0 0.791 83.5 143.5 85.8 99.9 -1.0 11.7 -9.2 161 161 A G >>> + 0 0 16 -3,-0.2 4,-3.4 3,-0.1 3,-0.7 -0.043 1.9 156.7-161.1 43.7 -3.3 9.0 -10.8 162 162 A L T 345S+ 0 0 56 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.876 89.0 40.0 -43.7 -40.9 -5.2 7.3 -7.9 163 163 A A T 3>5S+ 0 0 89 2,-0.1 4,-1.0 3,-0.1 -1,-0.3 0.773 122.2 42.8 -82.3 -24.6 -7.8 6.4 -10.6 164 164 A S H <>5S+ 0 0 63 -3,-0.7 4,-3.8 2,-0.2 5,-0.3 0.935 105.9 57.0 -85.9 -53.1 -5.2 5.6 -13.2 165 165 A V H <5S+ 0 0 1 -4,-3.4 4,-0.5 1,-0.2 -3,-0.2 0.768 106.4 59.0 -50.3 -20.3 -2.6 3.7 -11.1 166 166 A C H >4X S+ 0 0 45 -4,-1.0 3,-2.7 1,-0.2 4,-0.8 0.772 108.6 80.0 -78.5 -23.6 -6.6 0.3 -13.9 168 168 A Q G >< S+ 0 0 70 -4,-3.8 3,-0.7 1,-0.3 -1,-0.2 0.835 85.8 61.6 -53.0 -28.6 -3.1 1.1 -15.2 169 169 A Y G <4 S+ 0 0 35 -3,-0.6 -133,-0.6 -4,-0.5 -1,-0.3 0.746 97.6 57.9 -71.4 -18.4 -2.0 -2.3 -13.7 170 170 A G G <4 S+ 0 0 21 -3,-2.7 2,-0.4 -135,-0.2 -1,-0.2 0.704 115.9 34.2 -83.0 -18.0 -4.5 -4.0 -16.1 171 171 A I S << S- 0 0 117 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 -0.996 83.0-127.0-138.4 133.7 -2.7 -2.5 -19.1 172 172 A N - 0 0 143 -2,-0.4 -3,-0.1 -3,-0.1 -2,-0.0 -0.502 28.8-122.4 -77.6 147.2 1.0 -1.8 -19.6 173 173 A A 0 0 60 -2,-0.2 -1,-0.1 1,-0.2 -5,-0.0 -0.245 360.0 360.0 -80.5 175.8 2.0 1.8 -20.7 174 174 A S 0 0 165 -2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.095 360.0 360.0 -59.0 360.0 4.0 2.6 -23.9