==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUL-11 3SU9 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR J.-Y.ZHU,Y.YANG,E.SCHONBRUNN . 419 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 1.0 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 . 1 0.2 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 . 44 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 2 1 1 4 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 3 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 PARALLEL BRIDGES PER LADDER . 1 0 2 3 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 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 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 0 124 0, 0.0 391,-0.1 0, 0.0 416,-0.0 0.000 360.0 360.0 360.0 83.6 -73.1 6.9 102.4 2 2 A D - 0 0 51 416,-0.1 391,-1.0 389,-0.1 390,-0.7 -0.104 360.0-173.4 -54.2 151.1 -75.4 9.8 103.3 3 3 A K E -AB 391 417A 45 414,-2.0 414,-3.4 388,-0.2 2,-0.4 -0.965 21.3-128.7-142.1 153.8 -74.2 12.7 105.4 4 4 A F E -AB 390 416A 0 386,-2.3 386,-2.3 -2,-0.3 2,-0.6 -0.895 14.0-158.8-102.9 136.1 -76.0 15.8 107.0 5 5 A R E -AB 389 415A 101 410,-2.5 410,-2.3 -2,-0.4 2,-0.5 -0.979 17.1-172.0-112.8 114.2 -74.3 19.1 106.4 6 6 A V E -AB 388 414A 0 382,-3.6 382,-3.1 -2,-0.6 2,-0.6 -0.939 12.4-159.4-114.3 129.7 -75.6 21.5 109.1 7 7 A Q E -AB 387 413A 75 406,-2.6 406,-0.6 -2,-0.5 380,-0.2 -0.931 33.8-121.9-107.8 116.7 -75.0 25.2 109.2 8 8 A G E +A 386 0A 6 378,-3.4 378,-2.3 -2,-0.6 375,-0.2 -0.759 63.7 44.7-122.0 175.0 -75.3 26.9 112.6 9 9 A P + 0 0 90 0, 0.0 2,-0.4 0, 0.0 374,-0.3 0.414 59.6 158.7 -90.2 159.6 -76.2 28.6 114.7 10 10 A T - 0 0 29 372,-1.7 2,-0.6 -2,-0.1 238,-0.1 -0.998 38.8-135.2-140.6 140.0 -80.0 28.7 114.5 11 11 A R - 0 0 112 -2,-0.4 2,-0.5 400,-0.1 236,-0.1 -0.856 32.7-134.2 -90.2 120.9 -82.8 29.6 116.9 12 12 A L + 0 0 4 -2,-0.6 237,-1.5 230,-0.4 2,-0.3 -0.711 36.0 165.3 -82.1 123.1 -85.4 26.8 116.3 13 13 A Q E +d 249 0B 106 397,-2.5 2,-0.4 -2,-0.5 237,-0.2 -0.998 27.1 36.8-139.9 136.8 -88.9 28.2 116.0 14 14 A G E S-d 250 0B 29 235,-2.0 237,-1.5 -2,-0.3 2,-0.3 -0.981 78.2 -40.4 138.1-147.1 -92.3 26.8 114.9 15 15 A E E -d 251 0B 97 -2,-0.4 2,-0.4 394,-0.3 237,-0.2 -0.944 32.5-170.0-129.8 149.5 -94.3 23.6 114.9 16 16 A V E -d 252 0B 6 235,-2.0 237,-3.0 -2,-0.3 2,-0.7 -0.988 19.2-138.8-134.8 141.8 -93.7 19.9 114.5 17 17 A T E -d 253 0B 81 -2,-0.4 237,-0.2 235,-0.2 2,-0.2 -0.921 29.8-125.9-103.9 114.1 -96.3 17.2 114.1 18 18 A I - 0 0 1 235,-3.0 3,-0.1 -2,-0.7 215,-0.1 -0.399 20.1-135.3 -65.1 131.0 -95.2 14.2 116.2 19 19 A S - 0 0 12 1,-0.2 213,-2.7 -2,-0.2 217,-0.1 -0.248 34.7 -81.9 -77.0 166.7 -95.0 10.8 114.4 20 20 A G B -G 231 0C 0 211,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.378 63.0 -83.5 -67.8 150.7 -96.3 7.5 115.8 21 21 A A >> - 0 0 1 209,-3.2 4,-2.6 1,-0.2 3,-1.2 -0.377 29.6-154.4 -59.0 120.5 -94.0 5.8 118.2 22 22 A K H 3> S+ 0 0 10 1,-0.2 4,-2.2 -2,-0.2 -1,-0.2 0.909 97.4 54.3 -57.5 -43.9 -91.4 3.8 116.4 23 23 A N H 34 S+ 0 0 41 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.478 111.4 41.7 -72.1 -6.6 -91.2 1.6 119.6 24 24 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 206,-0.2 5,-0.2 0.731 112.2 53.7-102.6 -44.6 -94.9 0.9 119.7 25 25 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.871 106.8 55.1 -58.5 -39.7 -95.3 0.3 115.9 26 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.985 111.7 38.3 -57.9 -64.9 -92.4 -2.3 116.1 27 27 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.820 117.2 53.7 -58.0 -31.5 -93.8 -4.7 118.8 28 28 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.915 105.9 51.8 -70.3 -41.3 -97.3 -4.2 117.3 29 29 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 4,-0.2 0.891 113.5 44.2 -60.1 -42.7 -96.1 -5.2 113.8 30 30 A F H >< S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.889 110.9 54.3 -67.5 -40.1 -94.6 -8.4 115.2 31 31 A A H >< S+ 0 0 1 -4,-2.1 3,-2.6 1,-0.3 4,-0.4 0.845 92.6 72.3 -63.3 -31.8 -97.7 -9.0 117.3 32 32 A A G >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.650 78.4 78.7 -58.8 -12.5 -99.7 -8.7 114.1 33 33 A L G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.708 89.2 56.5 -64.8 -21.4 -98.2 -12.2 113.3 34 34 A L G < S+ 0 0 1 -3,-2.6 188,-0.6 -4,-0.2 2,-0.2 0.683 83.8 104.5 -80.5 -26.4 -100.9 -13.5 115.7 35 35 A A B < -h 222 0D 1 -3,-0.7 40,-0.3 -4,-0.4 188,-0.2 -0.443 49.6-168.5 -67.0 125.4 -103.8 -12.0 113.8 36 36 A E S S+ 0 0 78 186,-2.6 187,-0.2 187,-0.3 188,-0.2 0.661 75.8 50.0 -82.2 -19.3 -105.9 -14.4 111.7 37 37 A E S S- 0 0 99 186,-1.5 38,-0.3 185,-0.2 188,-0.1 -0.797 105.0 -73.2-117.2 160.3 -107.7 -11.6 110.0 38 38 A P - 0 0 84 0, 0.0 187,-1.3 0, 0.0 2,-0.4 -0.133 47.8-154.5 -53.2 145.7 -106.4 -8.4 108.2 39 39 A V E -Ij 73 225E 3 34,-3.3 34,-3.0 185,-0.2 2,-0.5 -0.954 12.6-158.4-128.3 141.5 -105.0 -5.6 110.3 40 40 A E E -Ij 72 226E 42 185,-2.8 187,-2.7 -2,-0.4 2,-0.7 -0.969 8.9-167.6-119.8 112.5 -104.7 -1.9 109.8 41 41 A I E -Ij 71 227E 0 30,-2.6 30,-2.0 -2,-0.5 3,-0.4 -0.898 15.7-155.1-102.0 111.7 -102.1 -0.2 112.0 42 42 A Q E + j 0 228E 62 185,-3.1 187,-2.8 -2,-0.7 28,-0.2 -0.509 62.8 23.7 -90.3 156.5 -102.4 3.6 111.9 43 43 A N S S+ 0 0 32 1,-0.2 -1,-0.2 185,-0.2 27,-0.2 0.864 72.8 165.9 65.2 40.0 -100.0 6.4 112.5 44 44 A V - 0 0 5 25,-2.2 -1,-0.2 -3,-0.4 -22,-0.1 -0.787 34.9-123.8 -89.2 124.1 -96.9 4.4 111.7 45 45 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 -1,-0.0 -0.222 16.7-119.9 -64.1 159.1 -93.8 6.5 111.1 46 46 A K + 0 0 85 4,-0.1 356,-0.4 21,-0.1 2,-0.3 -0.879 63.5 121.3-101.4 101.0 -91.8 6.3 107.9 47 47 A L S >> S- 0 0 11 -2,-0.8 4,-1.6 354,-0.1 3,-1.2 -0.973 73.7 -90.8-156.7 164.2 -88.3 5.2 109.0 48 48 A K H 3> S+ 0 0 103 349,-2.6 4,-2.5 -2,-0.3 350,-0.2 0.807 116.6 56.4 -49.8 -44.8 -85.8 2.5 108.5 49 49 A D H 3> S+ 0 0 2 349,-1.1 4,-2.0 1,-0.2 -1,-0.3 0.803 107.2 50.6 -59.1 -32.9 -86.8 0.2 111.4 50 50 A I H <> S+ 0 0 0 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.898 109.1 52.3 -73.3 -39.0 -90.3 -0.0 109.9 51 51 A D H X S+ 0 0 76 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.948 110.7 46.9 -57.0 -50.4 -88.8 -0.9 106.5 52 52 A T H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.904 112.9 49.2 -58.8 -43.2 -86.8 -3.7 108.1 53 53 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.908 110.8 49.5 -65.1 -42.7 -89.8 -5.0 110.0 54 54 A M H X S+ 0 0 26 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.923 111.5 50.5 -60.8 -44.4 -92.0 -4.9 106.9 55 55 A K H X S+ 0 0 120 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.922 110.1 48.7 -57.5 -48.5 -89.2 -6.9 105.1 56 56 A L H X S+ 0 0 1 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.921 111.9 49.5 -58.1 -46.4 -89.0 -9.5 107.8 57 57 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 3,-1.4 0.919 109.8 50.0 -58.5 -49.0 -92.8 -9.9 107.8 58 58 A T H ><5S+ 0 0 72 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.900 104.7 59.8 -57.1 -42.6 -92.9 -10.3 104.0 59 59 A Q H 3<5S+ 0 0 94 -4,-2.4 -1,-0.3 1,-0.3 23,-0.2 0.684 102.3 53.4 -59.8 -19.7 -90.2 -12.9 104.4 60 60 A L T <<5S- 0 0 0 -3,-1.4 19,-2.1 -4,-0.6 20,-1.9 0.513 128.3 -97.6 -90.1 -9.5 -92.5 -14.9 106.6 61 61 A G T < 5S+ 0 0 26 -3,-2.0 16,-0.3 -4,-0.4 2,-0.2 0.541 76.0 147.0 100.8 10.8 -95.3 -14.9 103.9 62 62 A T < - 0 0 7 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.592 50.3-125.1 -79.0 143.0 -97.2 -12.0 105.5 63 63 A K E -K 74 0E 118 11,-2.8 11,-1.9 -2,-0.2 2,-0.4 -0.807 36.3-173.5 -88.0 121.8 -98.9 -9.6 103.0 64 64 A V E +K 73 0E 32 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.973 16.7 160.7-129.5 136.5 -97.7 -6.1 103.6 65 65 A E E -K 72 0E 107 7,-1.7 7,-3.1 -2,-0.4 2,-0.3 -0.985 9.9-179.4-142.6 148.2 -98.7 -2.6 102.3 66 66 A R E K 71 0E 50 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.946 360.0 360.0-145.6 166.5 -98.1 0.9 103.5 67 67 A X 0 0 82 3,-1.6 4,-0.1 -2,-0.3 -21,-0.1 0.274 360.0 360.0 -85.5 360.0 -98.8 4.6 102.7 68 ! 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 69 68 A G 0 0 46 0, 0.0 -25,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -18.6 -99.9 6.7 107.0 70 69 A S - 0 0 12 -27,-0.2 -3,-1.6 -28,-0.2 2,-0.5 -0.565 360.0-136.8-106.0 168.1 -100.9 3.1 107.9 71 70 A V E -IK 41 66E 0 -30,-2.0 -30,-2.6 -5,-0.2 2,-0.5 -0.998 19.6-151.8-124.4 121.3 -99.4 -0.3 107.5 72 71 A W E -IK 40 65E 101 -7,-3.1 -7,-1.7 -2,-0.5 2,-0.4 -0.860 13.8-167.5 -96.3 128.6 -101.9 -3.0 106.3 73 72 A I E -IK 39 64E 5 -34,-3.0 -34,-3.3 -2,-0.5 2,-0.4 -0.955 16.8-178.7-122.0 134.3 -101.0 -6.5 107.4 74 73 A D E + K 0 63E 37 -11,-1.9 -11,-2.8 -2,-0.4 3,-0.4 -0.896 8.7 168.5-130.0 97.8 -102.5 -9.8 106.3 75 74 A A > + 0 0 1 -2,-0.4 3,-1.0 -40,-0.3 -13,-0.1 0.076 43.4 112.5 -96.7 21.2 -100.9 -12.7 108.1 76 75 A S T 3 S+ 0 0 47 1,-0.2 -1,-0.2 -13,-0.1 -14,-0.1 0.807 81.5 40.4 -63.3 -30.8 -103.5 -15.2 106.9 77 76 A N T 3 + 0 0 125 -3,-0.4 -1,-0.2 -16,-0.3 2,-0.1 -0.109 69.3 163.1-113.7 37.7 -100.8 -17.1 104.9 78 77 A V < + 0 0 16 -3,-1.0 -17,-0.3 1,-0.2 3,-0.1 -0.403 5.9 161.4 -56.2 124.7 -97.6 -17.2 107.0 79 78 A N + 0 0 121 -19,-2.1 2,-0.3 1,-0.1 -18,-0.2 0.277 51.4 58.3-131.5 2.4 -95.6 -19.9 105.2 80 79 A N - 0 0 69 -20,-1.9 -1,-0.1 1,-0.0 0, 0.0 -0.988 52.9-169.3-136.5 143.2 -92.0 -19.3 106.4 81 80 A F + 0 0 37 -2,-0.3 28,-2.4 -3,-0.1 2,-0.3 0.209 52.4 96.0-122.1 15.2 -90.8 -19.3 110.0 82 81 A S E -l 109 0F 35 -23,-0.2 28,-0.2 26,-0.2 -2,-0.0 -0.871 48.1-162.3-114.7 146.1 -87.2 -18.0 109.9 83 82 A A E -l 110 0F 1 26,-1.9 28,-2.2 -2,-0.3 -27,-0.0 -0.980 34.0-138.1-120.8 106.9 -85.6 -14.6 110.4 84 83 A P >> - 0 0 49 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.168 17.2-108.9 -68.9 160.1 -82.1 -14.8 108.8 85 84 A Y H 3> S+ 0 0 126 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.903 114.8 59.3 -50.3 -52.9 -78.8 -13.5 110.1 86 85 A D H 34 S+ 0 0 110 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.767 113.7 39.3 -50.7 -32.7 -78.6 -10.7 107.4 87 86 A L H X> S+ 0 0 13 -3,-0.9 3,-1.2 2,-0.1 4,-0.6 0.929 115.1 47.8 -83.6 -52.8 -81.8 -9.3 108.7 88 87 A V H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 6,-0.2 0.868 104.2 62.9 -57.9 -41.0 -81.4 -9.7 112.4 89 88 A K T 3< S+ 0 0 108 -4,-3.1 -1,-0.3 1,-0.3 3,-0.2 0.739 104.0 48.2 -57.3 -26.9 -77.9 -8.2 112.4 90 89 A T T <4 S+ 0 0 58 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.588 128.1 19.5 -90.5 -10.3 -79.4 -4.9 111.1 91 90 A M X< - 0 0 0 -3,-1.4 3,-2.4 -4,-0.6 -1,-0.3 -0.611 57.3-168.0-161.5 93.7 -82.1 -4.8 113.8 92 91 A R G > S+ 0 0 19 1,-0.3 3,-2.5 -3,-0.2 4,-0.1 0.737 83.8 79.1 -54.9 -27.9 -82.0 -6.8 117.0 93 92 A A G > S+ 0 0 22 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.677 70.1 88.9 -54.0 -17.0 -85.7 -6.0 117.7 94 93 A S G X + 0 0 0 -3,-2.4 3,-2.5 1,-0.3 4,-0.3 0.739 64.8 81.2 -52.3 -24.6 -86.2 -8.8 115.1 95 94 A I G X S+ 0 0 8 -3,-2.5 3,-2.0 1,-0.3 4,-0.5 0.810 73.9 76.2 -55.2 -27.5 -86.1 -11.2 118.1 96 95 A W G < S+ 0 0 23 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.580 80.1 69.9 -59.2 -12.5 -89.8 -10.2 118.6 97 96 A A G <> S+ 0 0 0 -3,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.764 86.4 69.8 -76.9 -24.7 -90.7 -12.5 115.7 98 97 A L H <> S+ 0 0 2 -3,-2.0 4,-2.1 -4,-0.3 5,-0.3 0.917 94.8 47.8 -58.1 -53.9 -89.9 -15.5 117.8 99 98 A G H > S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.942 112.8 45.7 -57.8 -55.2 -92.7 -15.4 120.4 100 99 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.885 111.9 54.4 -57.2 -40.9 -95.7 -14.9 117.9 101 100 A L H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 6,-0.8 0.956 114.1 37.1 -58.6 -53.7 -94.3 -17.6 115.6 102 101 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 4,-0.2 -1,-0.2 0.888 116.2 54.3 -69.4 -37.7 -94.1 -20.4 118.2 103 102 A A H < S+ 0 0 8 -4,-2.7 49,-0.3 -5,-0.3 -1,-0.2 0.917 124.0 24.4 -61.4 -47.7 -97.3 -19.3 120.0 104 103 A R H < S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.840 137.4 27.5 -86.0 -38.7 -99.4 -19.4 116.8 105 104 A F H < S- 0 0 64 -4,-3.1 -3,-0.2 -5,-0.4 -2,-0.2 0.508 95.2-122.4-104.4 -8.3 -97.5 -21.8 114.6 106 105 A G S < S+ 0 0 16 -4,-1.7 42,-1.9 -5,-0.5 2,-0.3 0.395 87.7 65.5 80.6 -5.0 -95.8 -24.1 117.1 107 106 A Q E + M 0 147F 83 -6,-0.8 2,-0.3 40,-0.2 -2,-0.2 -0.998 49.0 160.3-151.4 149.0 -92.4 -23.1 115.5 108 107 A G E - M 0 146F 0 38,-1.8 38,-2.6 -2,-0.3 2,-0.4 -0.937 13.9-164.8-166.2 143.9 -90.1 -20.2 115.0 109 108 A Q E +lM 82 145F 31 -28,-2.4 -26,-1.9 -2,-0.3 2,-0.4 -0.944 12.5 174.2-138.0 115.8 -86.4 -19.6 114.2 110 109 A V E -lM 83 144F 0 34,-2.1 34,-2.9 -2,-0.4 -28,-0.1 -0.986 38.4-109.3-126.4 130.6 -84.7 -16.3 114.7 111 110 A S E - M 0 143F 3 -28,-2.2 32,-0.3 -2,-0.4 31,-0.1 -0.295 43.1-111.6 -49.9 130.0 -80.9 -15.6 114.3 112 111 A L - 0 0 60 30,-2.9 -1,-0.1 1,-0.1 -20,-0.0 -0.557 36.7-112.3 -67.6 121.7 -79.5 -15.0 117.8 113 112 A P - 0 0 19 0, 0.0 10,-0.1 0, 0.0 3,-0.1 -0.293 33.5-160.8 -59.3 136.9 -78.5 -11.3 118.0 114 113 A G - 0 0 50 1,-0.3 7,-0.2 8,-0.1 -22,-0.0 0.195 46.5 -24.9 -91.3-143.6 -74.8 -10.8 118.3 115 114 A G - 0 0 77 5,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.273 50.2-162.6 -73.1 156.2 -73.1 -7.6 119.5 116 115 A X > - 0 0 59 3,-0.4 3,-1.3 -3,-0.1 5,-0.0 -0.996 23.9-130.5-134.3 134.8 -74.6 -4.1 119.5 117 116 A A T 3 S+ 0 0 65 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.833 101.3 69.4 -55.9 -36.4 -72.4 -1.0 119.9 118 117 A I T 3 S- 0 0 4 1,-0.2 213,-0.4 251,-0.1 2,-0.3 0.782 113.9 -92.4 -52.5 -34.2 -74.7 0.5 122.7 119 118 A G < - 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0 0 3 -4,-1.5 2,-0.6 -378,-0.1 3,-0.5 -0.995 69.7-129.7-139.3 132.5 -86.5 9.4 113.0 401 400 A E S S- 0 0 20 -2,-0.4 5,-0.2 1,-0.2 -354,-0.1 -0.687 86.7 -30.6 -78.4 117.1 -89.0 10.2 110.3 402 401 A R S > S+ 0 0 114 -2,-0.6 4,-2.1 -356,-0.4 -1,-0.2 0.859 72.6 177.1 42.3 57.2 -87.6 12.9 108.0 403 402 A I H > S+ 0 0 1 -3,-0.5 4,-2.6 1,-0.2 5,-0.3 0.896 77.9 53.7 -58.7 -40.4 -85.5 14.6 110.8 404 403 A E H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.903 108.0 49.8 -60.1 -42.7 -84.1 17.1 108.2 405 404 A D H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 112.6 45.9 -60.8 -49.4 -87.6 18.1 107.1 406 405 A K H < S+ 0 0 15 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.912 116.4 44.8 -61.1 -46.3 -88.9 18.7 110.6 407 406 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.8 0.913 111.3 53.8 -64.8 -44.2 -85.8 20.7 111.6 408 407 A R H ><5S+ 0 0 115 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.904 102.5 56.8 -56.8 -42.6 -85.8 22.6 108.4 409 408 A A T 3<5S+ 0 0 74 -4,-2.3 -394,-0.3 1,-0.3 -1,-0.3 0.614 105.3 55.2 -66.2 -8.9 -89.5 23.6 109.1 410 409 A L T < 5S- 0 0 6 -3,-1.8 -397,-2.5 -4,-0.3 -1,-0.3 0.349 131.9 -90.9-101.0 1.2 -88.1 25.0 112.4 411 410 A G T < 5S+ 0 0 48 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.347 75.6 150.4 105.4 -4.3 -85.5 27.2 110.6 412 411 A A < - 0 0 6 -5,-2.1 2,-0.9 -6,-0.1 -1,-0.3 -0.299 44.9-137.3 -63.8 145.2 -82.6 24.8 110.6 413 412 A N E +B 7 0A 94 -406,-0.6 -406,-2.6 -31,-0.1 2,-0.4 -0.884 47.7 149.6-101.0 94.6 -80.0 25.0 107.7 414 413 A I E -B 6 0A 6 -2,-0.9 2,-0.4 -408,-0.2 -408,-0.2 -0.996 26.2-172.7-139.8 137.8 -79.6 21.3 106.9 415 414 A E E -B 5 0A 103 -410,-2.3 -410,-2.5 -2,-0.4 2,-0.7 -0.980 23.3-133.5-130.8 135.6 -78.7 19.4 103.8 416 415 A R E -B 4 0A 69 -2,-0.4 2,-0.5 -412,-0.2 -412,-0.2 -0.801 29.0-158.7 -85.5 116.4 -78.7 15.7 103.0 417 416 A V E -B 3 0A 17 -414,-3.4 -414,-2.0 -2,-0.7 2,-0.5 -0.871 1.4-151.6-102.3 130.5 -75.4 15.1 101.1 418 417 A K - 0 0 159 -2,-0.5 2,-2.6 -416,-0.2 -416,-0.1 -0.882 64.4 -36.3-103.2 128.5 -75.0 12.1 98.9 419 418 A G 0 0 57 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.0 -0.340 360.0 360.0 65.6 -73.1 -71.6 10.5 98.3 420 419 A E 0 0 208 -2,-2.6 -1,-0.2 -417,-0.0 -2,-0.1 -0.149 360.0 360.0 -47.9 360.0 -69.6 13.8 98.2