==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-07 2OQ3 . COMPND 2 MOLECULE: MANNITOL-SPECIFIC CRYPTIC PHOSPHOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.JIN,C.YU . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.2 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 148 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.0 2.4 -1.3 -2.4 2 2 A R - 0 0 187 1,-0.2 3,-0.3 2,-0.1 4,-0.2 -0.539 360.0-159.9 -58.7 121.1 6.0 -2.3 -2.9 3 3 A L S > S+ 0 0 2 144,-2.6 3,-2.3 141,-0.4 4,-0.3 0.935 87.2 64.9 -66.8 -45.4 7.8 -0.5 -0.1 4 4 A S G > S+ 0 0 48 143,-0.7 3,-1.5 140,-0.5 -1,-0.2 0.708 84.6 73.8 -52.9 -28.0 11.2 -0.8 -2.0 5 5 A D G 3 S+ 0 0 118 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.778 99.1 46.5 -58.2 -27.5 9.9 1.5 -4.8 6 6 A Y G < S+ 0 0 24 -3,-2.3 73,-2.2 -4,-0.2 -1,-0.3 0.500 95.7 83.1 -92.7 -7.3 10.2 4.5 -2.4 7 7 A F < - 0 0 22 -3,-1.5 73,-0.1 -4,-0.3 -1,-0.1 -0.880 56.9-170.7-108.7 106.0 13.8 3.7 -1.1 8 8 A P - 0 0 45 0, 0.0 -1,-0.2 0, 0.0 72,-0.1 0.971 50.2 -88.2 -62.9 -62.2 16.5 4.9 -3.5 9 9 A E S > S+ 0 0 167 22,-0.1 3,-0.6 0, 0.0 22,-0.0 -0.081 117.8 50.5-174.3 -65.9 19.7 3.3 -2.0 10 10 A S T 3 S+ 0 0 52 1,-0.2 21,-0.1 21,-0.2 22,-0.1 0.341 82.6 104.5 -73.3 3.0 21.5 5.4 0.7 11 11 A S T 3 + 0 0 1 20,-0.1 70,-2.6 69,-0.1 2,-0.4 0.402 62.2 76.2 -69.2 -4.0 18.0 5.7 2.4 12 12 A I E < +a 81 0A 23 -3,-0.6 2,-0.3 68,-0.2 70,-0.2 -0.965 56.8 164.7-126.6 127.1 18.8 3.2 5.3 13 13 A S E -a 82 0A 22 68,-2.4 70,-1.8 -2,-0.4 2,-0.4 -0.988 27.3-159.3-143.4 145.9 21.0 3.9 8.3 14 14 A V E -a 83 0A 34 -2,-0.3 2,-0.3 68,-0.2 70,-0.2 -0.988 23.8-178.9-123.9 135.7 21.8 2.6 11.8 15 15 A I E -a 84 0A 30 68,-2.4 70,-2.6 -2,-0.4 72,-0.2 -0.960 33.7-134.4-138.7 143.1 23.4 5.2 14.1 16 16 A H S S- 0 0 113 1,-0.3 70,-2.3 -2,-0.3 2,-0.3 0.968 87.3 -30.0 -68.2 -49.3 24.7 4.9 17.7 17 17 A S - 0 0 56 68,-0.2 -1,-0.3 69,-0.1 2,-0.2 -0.941 65.1-110.8-160.1 145.1 22.9 8.2 18.7 18 18 A A - 0 0 4 -2,-0.3 3,-0.1 69,-0.2 6,-0.1 -0.545 31.2-121.4 -69.5 150.4 22.0 11.4 16.9 19 19 A K S S- 0 0 170 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.886 84.0 -28.2 -60.5 -40.6 24.0 14.4 18.1 20 20 A D S > S- 0 0 42 68,-0.1 4,-1.9 -3,-0.0 -1,-0.2 -0.923 79.1 -75.3-161.5 178.3 20.7 16.2 19.0 21 21 A W H > S+ 0 0 118 -2,-0.3 4,-1.0 1,-0.2 5,-0.1 0.802 128.7 49.4 -55.6 -32.9 17.0 16.4 18.1 22 22 A Q H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.917 108.0 51.7 -76.8 -42.7 17.8 18.4 14.9 23 23 A E H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.821 103.8 60.1 -64.8 -29.1 20.5 16.0 13.7 24 24 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.907 107.7 44.3 -62.8 -40.7 18.0 13.2 14.2 25 25 A I H >< S+ 0 0 2 -4,-1.0 3,-0.5 -3,-0.3 4,-0.5 0.934 112.9 52.7 -67.0 -43.5 15.7 15.0 11.6 26 26 A D H >X S+ 0 0 39 -4,-2.4 4,-2.8 1,-0.3 3,-1.9 0.944 108.7 48.4 -59.1 -47.2 18.8 15.6 9.4 27 27 A F H 3< S+ 0 0 66 -4,-3.0 4,-0.3 1,-0.3 -1,-0.3 0.731 109.0 55.2 -66.2 -20.9 19.8 11.8 9.5 28 28 A S T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.548 123.1 26.3 -79.5 -8.2 16.1 11.0 8.6 29 29 A M T X> S+ 0 0 0 -3,-1.9 4,-2.4 -4,-0.5 3,-1.5 0.594 93.3 88.1-131.3 -24.7 16.4 13.3 5.5 30 30 A V H 3X S+ 0 0 53 -4,-2.8 4,-2.8 1,-0.3 5,-0.1 0.856 87.9 57.0 -59.0 -36.9 20.0 13.5 4.3 31 31 A S H 34 S+ 0 0 9 -4,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.754 112.2 42.4 -66.5 -24.5 19.7 10.4 2.0 32 32 A L H X4>S+ 0 0 0 -3,-1.5 5,-2.8 2,-0.2 3,-0.8 0.858 113.7 51.3 -85.2 -41.2 16.7 12.2 0.2 33 33 A L H ><5S+ 0 0 49 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.887 101.9 62.7 -58.8 -40.3 18.6 15.5 0.1 34 34 A D T 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.749 112.2 35.0 -62.5 -26.2 21.6 13.8 -1.4 35 35 A K T < 5S- 0 0 57 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.131 117.3-113.0-108.1 14.7 19.6 12.8 -4.5 36 36 A N T < 5S+ 0 0 92 -3,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.799 72.4 140.1 45.2 42.0 17.6 16.1 -4.4 37 37 A Y S > - 0 0 48 34,-2.5 3,-1.4 -2,-0.3 4,-0.7 -0.670 40.1-102.6 -97.6 163.7 15.6 20.9 -0.8 40 40 A E H >> S+ 0 0 155 1,-0.3 4,-1.6 -2,-0.2 3,-0.7 0.842 118.5 65.3 -57.5 -35.5 17.3 21.9 2.5 41 41 A N H 3> S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.802 90.4 65.9 -58.9 -30.6 14.3 24.0 3.6 42 42 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.2 31,-0.3 -1,-0.2 0.921 104.1 43.8 -59.7 -45.1 12.2 20.8 3.8 43 43 A I H S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.2 5,-1.3 0.903 111.2 52.0 -64.7 -40.9 7.7 22.9 13.7 50 50 A T H <5S+ 0 0 5 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.925 112.8 44.9 -61.7 -44.5 9.2 20.4 16.2 51 51 A I H <5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.903 115.5 48.3 -65.3 -42.1 10.7 23.3 18.2 52 52 A N H <5S- 0 0 119 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.813 141.6 -17.1 -69.9 -34.0 7.4 25.4 18.0 53 53 A N T <5S- 0 0 133 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.556 101.6 -84.9-140.6 -57.4 5.1 22.5 19.1 54 54 A G < - 0 0 6 -5,-1.3 2,-0.2 38,-0.0 -1,-0.2 -0.842 63.1 -41.0 153.4 172.8 6.5 19.0 18.9 55 55 A P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 -8,-0.0 -0.475 47.4-152.8 -64.0 128.9 7.0 16.2 16.3 56 56 A Y S S+ 0 0 142 1,-0.2 2,-0.9 -2,-0.2 -10,-0.0 0.920 79.6 51.9 -65.0 -48.4 3.8 15.9 14.2 57 57 A Y + 0 0 82 10,-0.1 8,-2.1 8,-0.1 2,-0.4 -0.782 58.0 150.2-112.5 88.6 4.1 12.2 13.3 58 58 A I E +B 64 0A 53 -2,-0.9 6,-0.2 6,-0.2 39,-0.0 -0.971 12.2 174.4-112.6 131.1 4.6 9.8 16.2 59 59 A L E - 0 0 72 4,-2.0 5,-0.1 1,-0.5 -1,-0.1 0.668 63.7 -4.7-116.7 -27.2 3.0 6.4 15.5 60 60 A A E > S-B 63 0A 24 3,-1.0 3,-2.6 68,-0.0 -1,-0.5 -0.946 97.3 -62.8-157.1 161.4 4.1 4.3 18.5 61 61 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 36,-0.1 -0.333 128.0 7.8 -47.9 115.6 6.3 4.7 21.7 62 62 A G T 3 S+ 0 0 5 33,-0.2 36,-2.4 1,-0.2 37,-2.3 0.444 110.3 105.5 90.5 3.7 9.8 5.3 20.3 63 63 A V E < +Bc 60 99A 1 -3,-2.6 -4,-2.0 34,-0.2 -3,-1.0 -0.973 39.0 165.3-129.9 127.3 8.7 5.6 16.6 64 64 A A E -Bc 58 100A 3 35,-2.5 37,-1.2 -2,-0.4 -6,-0.2 -0.825 28.0-147.3-133.3 168.8 8.4 8.7 14.4 65 65 A M - 0 0 9 -8,-2.1 37,-0.2 -2,-0.3 -8,-0.1 -0.634 18.0-152.1-141.0 73.3 8.0 9.7 10.7 66 66 A P + 0 0 9 0, 0.0 37,-1.1 0, 0.0 2,-0.3 -0.326 39.4 136.7 -50.4 122.7 9.8 13.0 9.9 67 67 A H - 0 0 10 35,-0.2 2,-0.3 -2,-0.1 -11,-0.2 -0.959 32.9-162.4-163.4 155.1 8.0 14.6 6.9 68 68 A A - 0 0 11 35,-0.4 5,-0.1 -2,-0.3 -26,-0.1 -0.903 42.6 -76.6-138.6 165.9 6.7 18.0 5.7 69 69 A R > - 0 0 176 -2,-0.3 3,-2.1 1,-0.1 5,-0.3 -0.301 46.0-109.8 -60.6 153.2 4.1 19.0 3.0 70 70 A P G >> S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 3,-2.1 0.894 119.0 58.6 -46.9 -46.8 5.3 18.9 -0.6 71 71 A E G 34 S+ 0 0 177 1,-0.3 -2,-0.1 2,-0.2 35,-0.0 0.589 87.1 75.7 -67.0 -11.0 5.2 22.7 -0.8 72 72 A C G <4 S- 0 0 36 -3,-2.1 -1,-0.3 -30,-0.0 -27,-0.2 0.598 133.0 -65.5 -74.4 -11.6 7.7 22.9 2.1 73 73 A G T <4 S+ 0 0 16 -3,-2.1 -34,-2.5 -4,-0.3 -31,-0.3 0.590 82.7 146.7 136.4 24.2 10.4 21.9 -0.4 74 74 A A B < +E 38 0B 15 -4,-2.6 -36,-0.3 -5,-0.3 -1,-0.2 -0.561 16.5 177.5 -74.3 155.4 9.9 18.3 -1.8 75 75 A L + 0 0 90 -38,-2.9 2,-0.2 1,-0.3 -37,-0.2 0.528 66.2 5.3-132.9 -25.8 11.0 17.8 -5.4 76 76 A K S S- 0 0 84 -39,-1.8 2,-0.4 29,-0.1 -1,-0.3 -0.732 83.3 -92.2-145.9-168.7 10.3 14.0 -6.0 77 77 A T + 0 0 41 28,-0.3 28,-0.3 -2,-0.2 2,-0.3 -0.978 61.0 112.1-125.5 126.8 8.8 11.1 -4.0 78 78 A G E - D 0 104A 0 26,-2.0 26,-2.5 -2,-0.4 2,-0.3 -0.940 41.7-126.2-172.4-176.2 10.8 8.8 -1.7 79 79 A M E - D 0 103A 0 -73,-2.2 24,-0.3 -2,-0.3 2,-0.3 -0.914 5.7-154.5-143.7 168.5 11.6 7.6 1.9 80 80 A S E - D 0 102A 0 22,-1.7 22,-0.7 -2,-0.3 2,-0.3 -0.891 6.1-153.4-138.2 168.7 14.4 7.0 4.4 81 81 A L E +aD 12 101A 0 -70,-2.6 -68,-2.4 20,-0.3 2,-0.4 -0.932 16.6 175.4-151.4 120.8 14.8 4.7 7.5 82 82 A T E -aD 13 100A 0 18,-3.0 18,-2.7 -2,-0.3 2,-0.4 -0.994 10.9-165.2-136.2 129.0 17.1 5.5 10.4 83 83 A L E -aD 14 99A 5 -70,-1.8 -68,-2.4 -2,-0.4 2,-0.5 -0.966 5.4-158.7-117.6 136.7 17.6 3.6 13.7 84 84 A L E -a 15 0A 0 14,-2.8 3,-0.3 -2,-0.4 -68,-0.2 -0.975 9.3-151.4-115.5 116.2 19.3 5.2 16.8 85 85 A E E S+ 0 0 101 -70,-2.6 -68,-0.2 -2,-0.5 -69,-0.2 0.877 100.6 24.2 -59.4 -39.9 20.7 2.6 19.2 86 86 A Q E S- 0 0 127 -70,-2.3 -1,-0.2 1,-0.2 -69,-0.1 0.426 106.1-144.6-102.4 -2.3 20.3 4.9 22.2 87 87 A G E - 0 0 6 -71,-0.3 2,-0.3 -3,-0.3 11,-0.2 -0.052 8.2-111.6 65.8-175.0 17.5 7.1 20.6 88 88 A V E - D 0 97A 27 9,-1.8 9,-2.6 -71,-0.1 2,-0.6 -0.960 22.1-112.9-150.6 149.0 17.2 10.9 21.2 89 89 A Y - 0 0 120 -2,-0.3 -68,-0.2 7,-0.3 3,-0.0 -0.749 25.7-152.9 -86.7 119.3 14.5 12.9 23.0 90 90 A F > - 0 0 4 -2,-0.6 3,-1.5 5,-0.5 5,-0.1 -0.726 35.2 -94.3 -85.9 144.3 12.3 15.1 20.7 91 91 A P T 3 S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.313 105.4 6.2 -66.1 137.0 10.8 18.2 22.4 92 92 A G T 3 S+ 0 0 77 1,-0.3 2,-0.1 -38,-0.1 -38,-0.0 0.308 98.6 123.4 74.8 -7.5 7.3 17.8 23.8 93 93 A N < - 0 0 26 -3,-1.5 -1,-0.3 1,-0.1 4,-0.0 -0.418 69.9-122.1 -76.3 162.4 7.2 14.0 23.0 94 94 A D S S- 0 0 136 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.750 85.8 -3.0 -77.7 -26.5 6.6 11.5 25.9 95 95 A E S S- 0 0 74 -7,-0.1 -5,-0.5 -5,-0.1 -33,-0.2 -0.928 92.6 -67.8-156.5 169.2 9.8 9.5 25.5 96 96 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.423 46.0-125.5 -71.3 146.8 13.0 9.3 23.2 97 97 A I E + D 0 88A 0 -9,-2.6 -9,-1.8 1,-0.1 -34,-0.2 -0.741 30.3 171.5 -88.4 135.7 12.6 8.2 19.6 98 98 A K E + 0 0 76 -36,-2.4 -14,-2.8 -2,-0.4 2,-0.4 0.611 67.0 51.1-109.9 -25.0 14.7 5.2 18.4 99 99 A L E +cD 63 83A 0 -37,-2.3 -35,-2.5 -16,-0.2 2,-0.4 -0.973 60.1 172.8-128.0 126.5 13.1 4.6 15.0 100 100 A L E -cD 64 82A 0 -18,-2.7 -18,-3.0 -2,-0.4 2,-0.4 -0.989 12.6-165.1-133.3 139.3 12.5 7.3 12.3 101 101 A I E - D 0 81A 0 -37,-1.2 -20,-0.3 -2,-0.4 2,-0.2 -0.998 15.8-144.8-125.5 123.6 11.3 6.9 8.7 102 102 A G E - D 0 80A 0 -22,-0.7 -22,-1.7 -2,-0.4 2,-0.3 -0.555 18.1-176.9 -81.0 155.5 11.7 9.8 6.3 103 103 A L E + D 0 79A 0 -37,-1.1 -35,-0.4 -24,-0.3 2,-0.3 -0.969 7.9 173.2-150.0 138.7 9.1 10.5 3.6 104 104 A S E - D 0 78A 0 -26,-2.5 -26,-2.0 -2,-0.3 2,-0.3 -0.965 6.5-174.2-139.1 155.5 8.9 13.1 0.8 105 105 A A - 0 0 0 -2,-0.3 -28,-0.3 -28,-0.3 -31,-0.2 -0.986 28.1-143.9-150.6 140.8 6.4 13.5 -2.1 106 106 A A S S+ 0 0 56 -2,-0.3 2,-0.3 -31,-0.1 -29,-0.1 0.626 90.4 18.3 -76.2 -17.0 6.1 15.8 -5.1 107 107 A D S > S- 0 0 91 1,-0.1 4,-2.3 -31,-0.0 5,-0.1 -0.977 80.9-108.6-154.4 154.8 2.3 16.0 -4.8 108 108 A A H > S+ 0 0 61 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.825 118.8 51.6 -59.5 -35.4 -0.4 15.3 -2.2 109 109 A D H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 109.6 49.6 -70.5 -38.6 -1.7 12.1 -4.0 110 110 A S H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.891 109.7 53.0 -63.6 -38.2 1.9 10.8 -4.1 111 111 A H H X S+ 0 0 34 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.944 108.8 48.7 -59.4 -49.2 2.1 11.6 -0.3 112 112 A I H X S+ 0 0 93 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 112.5 48.3 -59.0 -46.1 -1.2 9.6 0.3 113 113 A G H X S+ 0 0 28 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 113.8 46.6 -59.1 -46.6 0.3 6.6 -1.8 114 114 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.919 112.4 49.9 -62.1 -46.4 3.6 6.8 0.2 115 115 A I H X S+ 0 0 28 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.957 109.6 51.2 -56.6 -51.9 1.7 7.0 3.6 116 116 A Q H X S+ 0 0 125 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.840 111.0 50.2 -59.1 -33.9 -0.4 4.0 2.7 117 117 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.2 0.975 112.7 43.6 -64.9 -56.3 2.8 2.1 1.8 118 118 A L H >X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.3 3,-2.0 0.736 98.5 72.6 -71.3 -17.4 4.6 2.9 5.1 119 119 A S H 3X S+ 0 0 30 -4,-2.3 4,-1.8 1,-0.3 -1,-0.3 0.825 85.5 68.6 -60.1 -27.3 1.5 2.2 7.2 120 120 A E H << S+ 0 0 118 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.624 115.1 26.7 -65.1 -12.3 2.2 -1.5 6.3 121 121 A L H X4 S+ 0 0 6 -3,-2.0 3,-1.3 -4,-0.2 7,-0.3 0.733 122.3 47.5-111.8 -51.5 5.3 -1.1 8.6 122 122 A L H 3< S+ 0 0 4 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.706 114.9 46.4 -73.5 -19.9 4.5 1.7 11.1 123 123 A C T 3< S+ 0 0 83 -4,-1.8 2,-0.5 -5,-0.3 -1,-0.3 0.048 95.8 83.7-109.0 21.0 1.1 0.2 12.1 124 124 A E X> - 0 0 88 -3,-1.3 4,-2.3 1,-0.1 3,-1.1 -0.921 60.7-163.5-128.0 100.0 2.3 -3.4 12.5 125 125 A E H 3> S+ 0 0 148 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.789 90.1 61.6 -57.4 -28.6 3.8 -4.0 15.9 126 126 A E H 3> S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.880 109.4 41.2 -64.3 -39.2 5.5 -7.2 14.7 127 127 A I H <> S+ 0 0 26 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.892 110.4 58.3 -74.7 -40.3 7.4 -5.1 12.2 128 128 A L H X S+ 0 0 18 -4,-2.3 4,-2.7 -7,-0.3 -2,-0.2 0.909 106.8 48.2 -57.7 -43.9 8.1 -2.3 14.8 129 129 A E H X S+ 0 0 127 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.957 112.8 47.4 -57.8 -51.4 9.8 -4.9 17.0 130 130 A Q H < S+ 0 0 63 -4,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.817 114.0 47.4 -65.0 -33.4 12.0 -6.2 14.2 131 131 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 2,-0.2 -1,-0.2 0.934 112.8 49.1 -68.1 -47.4 12.9 -2.6 13.1 132 132 A L H 3< S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 115.1 43.5 -64.2 -34.9 13.7 -1.6 16.7 133 133 A T T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.421 81.8 137.8 -87.5 -0.7 15.9 -4.7 17.3 134 134 A A < - 0 0 6 -3,-1.2 -3,-0.1 -4,-0.2 3,-0.0 -0.274 38.9-163.6 -58.4 118.2 17.6 -4.4 13.9 135 135 A S + 0 0 100 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.677 68.2 8.2 -73.0 -20.2 21.4 -5.1 14.4 136 136 A S S > S- 0 0 50 1,-0.1 4,-1.9 -123,-0.1 3,-0.3 -0.963 78.4 -98.4-155.7 164.7 22.3 -3.6 11.0 137 137 A E H > S+ 0 0 100 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.811 120.9 62.0 -58.1 -30.9 21.2 -1.6 7.9 138 138 A K H > S+ 0 0 173 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 103.5 46.2 -64.6 -44.0 20.9 -5.0 6.2 139 139 A Q H > S+ 0 0 67 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.900 113.5 49.8 -67.6 -37.9 18.2 -6.1 8.7 140 140 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.938 111.2 49.8 -60.6 -45.9 16.5 -2.8 8.2 141 141 A A H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.873 104.2 58.4 -63.1 -38.8 16.7 -3.2 4.4 142 142 A D H X S+ 0 0 81 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.907 104.0 51.9 -56.5 -42.5 15.2 -6.8 4.7 143 143 A I H < S+ 0 0 1 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.867 109.9 49.2 -66.8 -35.0 12.1 -5.4 6.3 144 144 A I H >< S+ 0 0 5 -4,-1.4 3,-1.9 1,-0.2 -140,-0.5 0.965 110.7 49.8 -64.7 -49.6 11.8 -2.9 3.4 145 145 A S H 3< S+ 0 0 82 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.800 102.4 63.1 -59.0 -30.5 12.2 -5.7 0.9 146 146 A R T 3< 0 0 127 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.690 360.0 360.0 -65.9 -22.1 9.5 -7.7 2.8 147 147 A G < 0 0 42 -3,-1.9 -144,-2.6 -4,-0.5 -143,-0.7 -0.731 360.0 360.0 -83.0 360.0 6.9 -5.0 1.9