==== 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 13-JUL-11 3SWI . 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) . 16011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 16.5 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 . 42 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 23.6 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 2 0 1 1 2 1 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 2 7 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 0 102 0, 0.0 391,-0.1 0, 0.0 392,-0.1 0.000 360.0 360.0 360.0 126.7 141.4 61.4 169.5 2 2 A D + 0 0 39 390,-0.1 391,-0.8 389,-0.1 390,-0.6 -0.115 360.0 175.3 -56.2 144.2 143.9 58.9 170.9 3 3 A K E -AB 391 417A 29 414,-1.6 414,-3.7 389,-0.2 2,-0.5 -0.988 26.8-122.0-149.9 156.0 142.8 56.0 173.0 4 4 A F E -AB 390 416A 0 386,-2.1 386,-2.2 -2,-0.3 2,-0.7 -0.874 10.8-163.7-103.3 130.2 144.0 52.9 174.7 5 5 A R E +AB 389 415A 106 410,-3.2 410,-1.5 -2,-0.5 2,-0.4 -0.898 22.2 178.6-109.8 96.8 142.8 49.4 174.0 6 6 A V E -AB 388 414A 0 382,-2.6 382,-3.0 -2,-0.7 2,-0.4 -0.869 9.9-170.9-104.3 134.8 143.9 47.3 176.9 7 7 A Q E -AB 387 413A 84 406,-2.3 406,-0.6 -2,-0.4 380,-0.2 -0.988 26.3 -32.3-127.8 127.3 143.2 43.7 177.4 8 8 A G E -A 386 0A 5 378,-2.1 378,-2.4 -2,-0.4 375,-0.2 -0.704 62.3 -40.0-138.4-167.6 143.9 41.5 180.5 9 9 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 374,-0.3 0.498 62.9 166.3 -71.6 159.9 144.5 40.0 182.9 10 10 A T - 0 0 18 372,-0.7 2,-1.2 -2,-0.2 238,-0.1 -0.987 37.5-136.0-147.4 130.2 148.2 40.0 182.4 11 11 A R - 0 0 113 -2,-0.3 238,-0.1 400,-0.1 236,-0.1 -0.719 31.5-136.6 -88.1 94.6 151.1 39.1 184.6 12 12 A L + 0 0 3 -2,-1.2 237,-1.2 230,-0.3 2,-0.3 -0.182 34.9 165.1 -49.1 137.2 153.6 41.9 184.1 13 13 A Q E +d 249 0B 100 397,-2.2 2,-0.4 235,-0.2 237,-0.2 -0.937 25.0 29.7-159.4 134.9 157.2 40.6 183.7 14 14 A G E S-d 250 0B 27 235,-2.4 237,-1.4 -2,-0.3 2,-0.3 -0.961 77.5 -24.8 134.6-144.4 160.5 41.8 182.5 15 15 A E E +d 251 0B 91 394,-0.6 2,-0.3 -2,-0.4 237,-0.2 -0.901 37.8 178.5-125.3 150.9 162.6 44.9 182.2 16 16 A V E -d 252 0B 5 235,-1.4 237,-2.7 -2,-0.3 2,-0.7 -0.989 22.4-137.0-150.4 139.4 162.0 48.6 181.9 17 17 A T E -d 253 0B 73 -2,-0.3 237,-0.2 235,-0.2 235,-0.1 -0.864 24.7-133.9-105.1 107.2 164.2 51.7 181.6 18 18 A I - 0 0 1 235,-2.4 3,-0.1 -2,-0.7 2,-0.1 -0.312 21.1-136.2 -59.3 130.0 163.1 54.6 183.7 19 19 A S - 0 0 12 1,-0.2 213,-3.2 213,-0.1 217,-0.1 -0.321 33.0 -77.7 -83.5 167.5 163.2 57.9 182.0 20 20 A G B -G 231 0C 1 211,-0.3 -1,-0.2 23,-0.2 210,-0.1 -0.304 65.9 -86.3 -61.4 149.1 164.4 61.2 183.3 21 21 A A >> - 0 0 0 209,-3.0 4,-1.8 1,-0.1 3,-0.9 -0.347 27.6-149.7 -61.3 131.1 162.0 62.8 185.7 22 22 A K H 3> S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.941 99.2 50.6 -63.6 -46.5 159.3 64.9 184.1 23 23 A N H 34 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.295 110.3 50.6 -75.4 7.0 159.1 67.2 187.1 24 24 A A H <> S+ 0 0 0 -3,-0.9 4,-1.4 206,-0.1 -1,-0.2 0.736 109.2 47.2-107.1 -43.1 162.8 67.7 187.2 25 25 A A H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.819 106.3 61.1 -69.2 -35.3 163.3 68.7 183.5 26 26 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.982 111.1 35.0 -56.2 -63.4 160.4 71.1 183.6 27 27 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.804 117.8 57.2 -63.6 -26.8 161.8 73.5 186.3 28 28 A I H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.923 106.8 46.6 -68.7 -42.9 165.3 72.8 184.9 29 29 A L H X S+ 0 0 0 -4,-3.2 4,-0.5 2,-0.2 3,-0.4 0.938 113.6 47.7 -61.6 -48.4 164.2 74.0 181.4 30 30 A F H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.821 108.9 56.4 -59.7 -33.0 162.6 77.1 182.9 31 31 A A H >X S+ 0 0 1 -4,-1.6 3,-2.3 -5,-0.2 4,-0.5 0.841 92.7 68.3 -67.8 -34.2 165.7 77.5 184.9 32 32 A A H >< S+ 0 0 0 -4,-1.7 3,-0.6 -3,-0.4 -1,-0.2 0.716 79.3 80.3 -58.9 -21.1 167.8 77.5 181.7 33 33 A L T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.798 91.9 52.5 -53.8 -27.8 166.2 80.9 180.9 34 34 A L T <4 S+ 0 0 1 -3,-2.3 188,-0.5 -4,-0.2 -1,-0.3 0.820 85.9 102.7 -75.3 -36.6 168.7 82.3 183.3 35 35 A A << - 0 0 1 -3,-0.6 40,-0.2 -4,-0.5 188,-0.2 -0.264 53.3-165.1 -53.8 129.5 171.7 80.7 181.5 36 36 A E S S+ 0 0 72 186,-3.2 188,-0.2 187,-0.5 187,-0.2 0.487 72.4 54.7 -93.2 -6.1 173.6 83.1 179.4 37 37 A E S S- 0 0 91 186,-1.3 38,-0.3 185,-0.3 188,-0.1 -0.845 102.4 -73.6-126.2 160.5 175.3 80.3 177.6 38 38 A P - 0 0 88 0, 0.0 187,-1.3 0, 0.0 2,-0.4 -0.170 51.1-159.3 -50.0 140.6 174.4 77.2 175.7 39 39 A V E -Hi 73 225D 3 34,-3.1 34,-3.0 185,-0.2 2,-0.6 -0.992 13.0-155.1-133.1 136.3 173.1 74.5 177.9 40 40 A E E -Hi 72 226D 34 185,-3.4 187,-1.9 -2,-0.4 2,-0.6 -0.919 8.7-168.4-113.4 109.0 172.8 70.8 177.4 41 41 A I E -Hi 71 227D 0 30,-2.4 30,-3.2 -2,-0.6 3,-0.3 -0.862 13.2-157.9 -97.1 118.0 170.2 68.9 179.4 42 42 A Q E + i 0 228D 66 185,-3.4 187,-2.0 -2,-0.6 28,-0.2 -0.547 61.5 26.8 -96.4 158.4 170.5 65.2 179.3 43 43 A N S S+ 0 0 33 1,-0.2 -23,-0.2 -2,-0.2 27,-0.2 0.854 72.1 169.1 66.1 39.0 168.0 62.4 180.0 44 44 A V - 0 0 6 25,-2.5 -1,-0.2 -3,-0.3 2,-0.1 -0.711 32.9-122.5 -87.8 130.1 164.9 64.3 179.1 45 45 A P - 0 0 3 0, 0.0 2,-1.1 0, 0.0 5,-0.1 -0.416 19.2-119.9 -70.8 143.9 161.7 62.3 178.7 46 46 A K + 0 0 105 -2,-0.1 356,-0.4 4,-0.1 2,-0.3 -0.725 63.2 127.7 -83.6 96.3 159.8 62.4 175.5 47 47 A L S >> S- 0 0 8 -2,-1.1 4,-1.9 354,-0.1 3,-1.1 -0.993 71.2-101.0-153.7 158.3 156.4 63.7 176.6 48 48 A K H 3> S+ 0 0 109 349,-2.9 4,-2.6 -2,-0.3 350,-0.2 0.855 116.3 55.2 -41.6 -56.3 153.7 66.3 176.0 49 49 A D H 3> S+ 0 0 4 349,-1.0 4,-2.3 1,-0.3 -1,-0.3 0.838 108.1 50.0 -50.1 -38.6 154.7 68.5 178.9 50 50 A I H <> S+ 0 0 0 -3,-1.1 4,-2.7 348,-0.3 -1,-0.3 0.932 108.7 51.7 -67.9 -43.6 158.2 68.7 177.5 51 51 A D H X S+ 0 0 77 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.941 111.3 48.6 -53.2 -51.6 156.8 69.7 174.1 52 52 A T H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.894 112.7 46.5 -53.4 -50.9 154.8 72.4 175.7 53 53 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.854 112.0 51.2 -65.5 -36.6 157.7 73.8 177.7 54 54 A M H X S+ 0 0 19 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.945 111.5 47.9 -63.5 -46.8 159.9 73.7 174.6 55 55 A K H X S+ 0 0 129 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.871 110.4 51.7 -58.7 -43.0 157.3 75.6 172.7 56 56 A L H >X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.954 108.1 51.2 -58.6 -51.9 157.0 78.1 175.4 57 57 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.1 1,-0.3 3,-0.7 0.838 107.1 55.0 -51.6 -40.7 160.7 78.7 175.5 58 58 A T H ><5S+ 0 0 70 -4,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.867 99.7 59.2 -62.7 -40.2 160.6 79.2 171.8 59 59 A Q H <<5S+ 0 0 94 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.733 103.9 53.7 -60.9 -22.7 158.0 81.9 172.2 60 60 A L T <<5S- 0 0 0 -4,-0.9 20,-2.7 -3,-0.7 19,-1.7 0.581 127.4 -96.3 -88.0 -13.5 160.5 83.8 174.4 61 61 A G T < 5S+ 0 0 26 -3,-1.4 2,-0.3 -4,-0.4 16,-0.3 0.399 73.8 149.1 110.9 3.7 163.3 83.7 171.8 62 62 A T < - 0 0 6 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.3 -0.540 47.2-128.6 -76.5 130.4 165.1 80.7 173.2 63 63 A K E -J 74 0D 122 11,-3.3 11,-2.6 -2,-0.3 2,-0.4 -0.668 34.4-172.1 -75.5 124.8 166.9 78.4 170.7 64 64 A V E +J 73 0D 35 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.955 15.2 164.1-126.8 143.3 165.7 74.9 171.3 65 65 A E E +J 72 0D 101 7,-1.3 7,-2.5 -2,-0.4 2,-0.3 -0.965 8.4 175.3-146.8 156.4 166.8 71.5 170.0 66 66 A R E J 71 0D 55 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.994 360.0 360.0-163.1 161.8 166.3 67.9 171.0 67 67 A X 0 0 67 3,-1.5 4,-0.1 -2,-0.3 -1,-0.1 0.662 360.0 360.0 -80.5 360.0 166.8 64.2 170.3 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 55 0, 0.0 -25,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -18.1 167.9 62.0 174.5 70 69 A S - 0 0 12 -27,-0.2 -3,-1.5 -28,-0.2 2,-0.5 -0.686 360.0-122.9-116.9 169.9 168.9 65.5 175.5 71 70 A V E -HJ 41 66D 0 -30,-3.2 -30,-2.4 -2,-0.2 2,-0.8 -0.958 14.5-148.1-117.5 125.2 167.7 69.1 175.1 72 71 A W E -HJ 40 65D 104 -7,-2.5 -7,-1.3 -2,-0.5 2,-0.4 -0.811 21.6-171.1 -93.6 109.3 169.8 71.8 173.6 73 72 A I E +HJ 39 64D 4 -34,-3.0 -34,-3.1 -2,-0.8 2,-0.4 -0.864 15.5 176.3-107.7 134.0 169.0 75.2 175.1 74 73 A D E + J 0 63D 34 -11,-2.6 -11,-3.3 -2,-0.4 3,-0.3 -0.888 10.2 162.1-134.2 104.0 170.2 78.6 174.0 75 74 A A > + 0 0 1 -2,-0.4 3,-1.5 -38,-0.3 -1,-0.1 0.424 42.8 110.8 -99.9 -1.3 168.8 81.6 175.8 76 75 A S T 3 S+ 0 0 48 1,-0.3 -1,-0.2 -13,-0.1 2,-0.1 0.812 85.2 43.3 -41.4 -36.3 171.4 84.1 174.8 77 76 A N T 3 S+ 0 0 122 -3,-0.3 2,-0.5 -16,-0.3 -1,-0.3 -0.259 70.1 159.2-111.3 47.4 168.7 85.8 172.7 78 77 A V < + 0 0 14 -3,-1.5 -17,-0.3 1,-0.2 -18,-0.1 -0.573 3.2 162.2 -68.6 120.3 165.5 85.9 174.7 79 78 A N + 0 0 120 -19,-1.7 2,-0.4 -2,-0.5 -18,-0.2 0.463 52.6 63.4-118.9 -7.3 163.4 88.7 173.2 80 79 A N - 0 0 61 -20,-2.7 -18,-0.1 1,-0.1 -1,-0.0 -0.922 48.7-178.0-120.5 146.8 160.0 87.9 174.5 81 80 A F + 0 0 40 -2,-0.4 28,-3.4 -22,-0.1 2,-0.5 0.252 52.2 92.8-129.2 13.5 158.8 88.0 178.1 82 81 A S E -k 109 0E 36 26,-0.2 28,-0.2 -23,-0.2 63,-0.0 -0.944 56.0-151.9-118.0 124.1 155.2 86.9 178.0 83 82 A A E -k 110 0E 0 26,-2.6 28,-2.3 -2,-0.5 -27,-0.0 -0.824 36.3-126.1 -89.2 105.6 153.8 83.4 178.4 84 83 A P >> - 0 0 34 0, 0.0 4,-2.3 0, 0.0 3,-1.9 -0.143 6.0-124.7 -54.2 138.8 150.6 83.6 176.4 85 84 A Y H 3> S+ 0 0 120 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.888 109.3 63.4 -47.1 -48.5 147.2 82.6 177.8 86 85 A D H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.667 112.6 34.7 -51.7 -25.2 146.7 80.1 175.0 87 86 A L H X4 S+ 0 0 16 -3,-1.9 3,-1.7 2,-0.1 4,-0.3 0.823 113.7 53.7-100.5 -44.0 149.6 78.1 176.2 88 87 A V H >< S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.3 6,-0.2 0.876 96.3 70.5 -58.4 -38.9 149.4 78.5 179.9 89 88 A K T 3< S+ 0 0 118 -4,-2.7 -1,-0.3 1,-0.3 3,-0.1 0.426 102.3 44.7 -60.1 2.3 145.9 77.3 179.8 90 89 A T T < S+ 0 0 67 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.396 125.3 25.1-123.8 -5.5 147.2 73.8 178.9 91 90 A M X - 0 0 1 -3,-2.1 3,-2.6 -4,-0.3 -1,-0.2 -0.597 56.9-165.6-164.2 91.4 150.0 73.6 181.5 92 91 A R G > S+ 0 0 20 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.733 85.3 79.1 -51.1 -26.1 149.9 75.6 184.7 93 92 A A G > + 0 0 25 1,-0.3 3,-3.2 2,-0.2 -1,-0.3 0.712 68.7 89.2 -55.7 -20.8 153.6 74.9 185.1 94 93 A S G X + 0 0 0 -3,-2.6 3,-2.3 1,-0.3 -1,-0.3 0.758 66.4 78.1 -47.5 -29.9 154.1 77.7 182.6 95 94 A I G X S+ 0 0 9 -3,-2.2 3,-2.1 1,-0.3 4,-0.4 0.708 72.6 83.9 -55.3 -18.7 154.2 80.0 185.5 96 95 A W G < S+ 0 0 23 -3,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.653 78.3 64.6 -59.8 -19.1 157.8 78.7 186.0 97 96 A A G <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.638 84.7 78.2 -80.4 -14.7 159.0 81.2 183.4 98 97 A L H <> S+ 0 0 4 -3,-2.1 4,-2.2 -4,-0.2 5,-0.3 0.947 94.2 41.3 -59.6 -57.6 158.0 84.2 185.7 99 98 A G H > S+ 0 0 0 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.941 116.3 47.2 -59.5 -53.1 160.9 84.2 188.1 100 99 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.945 112.7 51.9 -56.5 -45.0 163.7 83.5 185.7 101 100 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 6,-0.8 0.912 117.3 34.8 -57.4 -49.1 162.3 86.2 183.3 102 101 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 4,-0.2 -1,-0.2 0.875 114.7 58.1 -76.0 -36.2 162.1 89.0 185.8 103 102 A A H < S+ 0 0 7 -4,-3.1 49,-0.3 -5,-0.3 -2,-0.2 0.913 121.5 25.7 -58.4 -43.5 165.2 87.9 187.7 104 103 A R H < S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.830 135.0 30.0 -90.7 -34.3 167.3 88.2 184.6 105 104 A F H < S- 0 0 67 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.656 96.3-119.2-101.5 -18.8 165.5 90.7 182.5 106 105 A G S < S+ 0 0 15 -4,-1.9 42,-2.2 -5,-0.4 2,-0.3 0.471 89.9 56.6 90.0 3.9 163.8 93.0 185.0 107 106 A Q E + L 0 147E 79 -6,-0.8 -2,-0.3 40,-0.2 2,-0.2 -0.993 49.8 152.6-161.2 162.3 160.5 91.9 183.5 108 107 A G E - L 0 146E 0 38,-1.3 38,-2.2 -2,-0.3 2,-0.4 -0.780 19.0-152.5 170.6 143.3 158.2 89.1 182.6 109 108 A Q E +kL 82 145E 35 -28,-3.4 -26,-2.6 -2,-0.2 2,-0.3 -0.988 11.2 179.6-131.1 141.2 154.5 88.3 182.1 110 109 A V E -kL 83 144E 0 34,-1.4 34,-1.9 -2,-0.4 -28,-0.1 -0.927 36.7-109.8-146.3 118.4 152.6 85.1 182.5 111 110 A S E - L 0 143E 3 -28,-2.3 32,-0.3 -2,-0.3 31,-0.1 -0.193 43.0-113.0 -43.8 123.1 149.0 84.4 182.1 112 111 A L - 0 0 67 30,-3.4 -1,-0.1 1,-0.1 -20,-0.0 -0.550 36.6-115.4 -65.8 110.4 147.5 83.8 185.5 113 112 A P - 0 0 17 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 -0.187 28.8-157.7 -51.2 124.2 146.4 80.1 185.7 114 113 A G - 0 0 58 1,-0.2 7,-0.1 8,-0.1 -22,-0.0 0.216 46.0 -31.4 -80.9-150.9 142.8 79.5 186.1 115 114 A G - 0 0 80 5,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.075 49.5-154.8 -69.1 165.9 141.3 76.3 187.4 116 115 A X > - 0 0 74 3,-0.5 3,-1.6 -3,-0.1 -1,-0.0 -0.986 24.3-123.8-137.9 145.5 142.5 72.7 187.2 117 116 A A T 3 S+ 0 0 46 -2,-0.3 217,-0.1 1,-0.3 3,-0.1 0.799 107.6 63.3 -61.2 -31.4 140.6 69.4 187.4 118 117 A I T 3 S- 0 0 9 1,-0.2 213,-0.6 214,-0.1 2,-0.3 0.613 116.1-103.2 -71.6 -7.8 142.7 68.1 190.3 119 118 A G < - 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0 0 2 -5,-1.6 2,-0.5 -8,-0.1 -1,-0.3 -0.434 42.0-136.8 -80.4 155.0 135.9 48.2 192.2 345 344 A H E +U 356 0I 112 11,-0.6 11,-2.2 -29,-0.3 2,-0.3 -0.961 37.8 145.0-116.8 115.9 134.4 49.0 195.7 346 345 A A E -U 355 0I 9 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.997 32.1-152.6-152.4 151.9 135.2 52.3 197.3 347 346 A E E -U 354 0I 94 7,-2.2 7,-3.3 -2,-0.3 2,-0.5 -0.957 14.0-147.4-121.7 139.6 133.8 55.0 199.5 348 347 A I E +U 353 0I 75 -2,-0.4 2,-0.5 5,-0.3 5,-0.2 -0.941 18.4 172.1-115.1 121.4 134.8 58.6 199.6 349 348 A E E > -U 352 0I 131 3,-3.4 3,-2.0 -2,-0.5 -2,-0.0 -0.916 63.0 -70.4-124.5 100.0 134.8 60.7 202.7 350 349 A S T 3 S- 0 0 97 -2,-0.5 -1,-0.1 1,-0.3 -24,-0.0 -0.264 119.1 -4.0 53.4-129.9 136.3 64.1 202.0 351 350 A N T 3 S+ 0 0 37 -3,-0.1 -25,-3.4 -26,-0.1 2,-0.4 0.239 126.4 78.5 -76.5 12.7 140.1 63.7 201.5 352 351 A T E < -TU 325 349I 32 -3,-2.0 -3,-3.4 -27,-0.3 2,-0.5 -0.964 58.2-163.5-128.9 142.0 139.9 60.0 202.2 353 352 A V E -TU 324 348I 0 -29,-2.9 -29,-2.2 -2,-0.4 2,-0.6 -0.988 14.5-143.4-122.6 128.1 138.8 57.0 200.2 354 353 A I E -TU 323 347I 59 -7,-3.3 -7,-2.2 -2,-0.5 2,-0.4 -0.844 18.8-148.7 -94.1 123.9 138.0 53.7 201.9 355 354 A C E -TU 322 346I 0 -33,-3.8 -33,-1.3 -2,-0.6 2,-0.5 -0.763 16.9-173.4 -97.7 136.9 139.0 50.7 199.8 356 355 A H E -TU 321 345I 66 -11,-2.2 -11,-0.6 -2,-0.4 -35,-0.2 -0.877 27.9-135.9-123.7 91.6 137.3 47.3 199.7 357 356 A G - 0 0 24 -37,-1.5 2,-0.3 -2,-0.5 -40,-0.3 -0.025 18.9-159.4 -49.0 148.9 139.5 44.9 197.7 358 357 A V - 0 0 22 -42,-1.9 3,-0.1 1,-0.1 -1,-0.1 -0.889 26.3-121.7-127.3 159.7 137.9 42.6 195.1 359 358 A E S S+ 0 0 180 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.827 89.9 10.2 -69.5 -31.9 139.0 39.4 193.4 360 359 A K - 0 0 125 -17,-0.2 2,-0.3 -44,-0.1 24,-0.1 -0.946 57.6-140.6-146.6 165.9 138.7 40.8 189.9 361 360 A L - 0 0 4 22,-0.3 24,-3.3 -2,-0.3 2,-0.4 -0.893 23.8-132.5-121.1 152.1 138.2 43.8 187.7 362 361 A S B -v 385 0J 56 -20,-3.4 24,-0.2 -2,-0.3 2,-0.1 -0.899 20.2-111.9-113.6 141.1 136.1 44.0 184.6 363 362 A G + 0 0 25 22,-2.6 25,-0.3 -2,-0.4 2,-0.3 -0.420 57.3 138.0 -63.9 136.1 137.0 45.4 181.2 364 363 A A - 0 0 25 22,-0.1 25,-1.5 -2,-0.1 2,-0.6 -0.932 55.9 -71.4-163.5 179.8 135.0 48.5 180.6 365 364 A Q E +c 389 0A 136 -2,-0.3 2,-0.2 23,-0.2 25,-0.2 -0.810 52.4 172.3 -92.9 122.8 135.1 52.1 179.2 366 365 A V E -c 390 0A 5 23,-2.5 25,-2.5 -2,-0.6 2,-0.4 -0.733 24.0-132.0-122.9 173.2 136.9 54.6 181.3 367 366 A M E -c 391 0A 64 -2,-0.2 25,-0.2 23,-0.2 2,-0.1 -0.969 11.0-142.8-134.0 119.3 138.1 58.2 181.0 368 367 A A + 0 0 0 23,-2.9 26,-0.1 -2,-0.4 3,-0.1 -0.438 30.2 155.8 -73.8 149.7 141.5 59.7 181.9 369 368 A T + 0 0 34 1,-0.3 2,-0.4 -2,-0.1 -252,-0.1 0.412 55.5 66.8-150.4 -7.1 141.5 63.1 183.4 370 369 A D S > S- 0 0 7 -253,-0.1 4,-1.4 1,-0.1 -1,-0.3 -0.987 70.5-138.5-127.5 122.3 144.8 63.3 185.3 371 370 A L T 4 S+ 0 0 17 -2,-0.4 28,-0.4 1,-0.2 -1,-0.1 0.528 104.8 13.6 -56.8 -5.7 148.2 63.3 183.7 372 371 A R T >4 S+ 0 0 5 26,-0.1 3,-1.4 28,-0.0 4,-0.4 0.549 125.9 50.7-137.0 -45.8 149.4 61.0 186.4 373 372 A A T >4 S+ 0 0 3 1,-0.3 3,-2.6 2,-0.2 4,-0.4 0.934 100.6 68.7 -61.1 -41.8 146.6 59.5 188.4 374 373 A S T >X S+ 0 0 1 -4,-1.4 3,-1.0 1,-0.3 4,-0.7 0.626 81.2 75.8 -52.1 -15.7 145.0 58.5 185.1 375 374 A A H X> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.3 3,-0.8 0.859 79.9 70.8 -65.2 -32.9 147.7 56.0 184.7 376 375 A S H <> S+ 0 0 0 -3,-2.6 4,-2.4 -4,-0.4 -1,-0.3 0.822 92.3 60.4 -48.9 -33.6 146.0 53.9 187.3 377 376 A L H <> S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.3 0.903 105.3 44.2 -62.8 -45.3 143.4 53.4 184.5 378 377 A V H + 0 0 100 -390,-0.6 3,-2.3 -2,-0.2 4,-0.3 0.766 61.7 166.6 69.6 29.4 141.4 60.9 176.6 393 392 A I T 3> + 0 0 0 -391,-0.8 4,-2.1 -3,-0.5 3,-0.3 0.533 55.6 95.6 -56.7 -2.1 144.9 59.3 176.9 394 393 A Y T 34 S+ 0 0 98 -392,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.823 79.4 59.3 -56.0 -28.5 146.1 62.8 175.9 395 394 A H T X> S+ 0 0 25 -3,-2.3 3,-1.4 1,-0.2 4,-0.6 0.927 104.2 46.8 -62.6 -49.8 146.5 63.2 179.6 396 395 A I H >> S+ 0 0 0 1,-0.3 3,-0.8 -3,-0.3 4,-0.8 0.842 100.3 66.0 -65.0 -35.4 148.8 60.3 180.0 397 396 A D H 3< S+ 0 0 34 -4,-2.1 -349,-2.9 1,-0.2 -1,-0.3 0.555 95.7 64.0 -63.8 -5.9 151.0 61.4 177.1 398 397 A R H <4 S+ 0 0 21 -3,-1.4 -349,-1.0 -351,-0.2 -348,-0.3 0.849 115.4 21.7 -83.5 -41.0 151.8 64.3 179.3 399 398 A G H << S+ 0 0 1 -3,-0.8 2,-0.4 -4,-0.6 -2,-0.2 0.145 115.2 67.6-117.1 19.2 153.6 62.5 182.1 400 399 A Y >< - 0 0 4 -4,-0.8 2,-0.7 -354,-0.1 3,-0.5 -0.933 66.6-140.1-145.5 120.8 154.6 59.3 180.5 401 400 A E T 3 S- 0 0 29 -2,-0.4 5,-0.2 1,-0.3 -354,-0.1 -0.674 84.5 -32.2 -79.4 110.8 157.2 58.5 177.8 402 401 A R T >> S+ 0 0 123 -2,-0.7 4,-2.0 -356,-0.4 3,-0.8 0.865 76.9 177.8 49.1 45.2 155.8 55.9 175.4 403 402 A I H <> S+ 0 0 2 -3,-0.5 4,-2.5 1,-0.3 5,-0.2 0.860 73.8 53.4 -47.1 -49.1 153.9 54.2 178.2 404 403 A E H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.860 108.2 51.0 -56.6 -38.6 152.3 51.5 176.0 405 404 A D H <> S+ 0 0 65 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.935 110.6 48.1 -63.1 -46.3 155.7 50.5 174.7 406 405 A K H < S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 114.7 46.4 -60.7 -39.6 157.1 50.2 178.2 407 406 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 3,-1.5 0.872 109.3 54.1 -69.6 -40.2 154.1 48.1 179.2 408 407 A R H ><5S+ 0 0 110 -4,-2.6 3,-2.6 1,-0.3 -2,-0.2 0.895 98.9 60.7 -61.0 -43.7 154.3 46.0 176.2 409 408 A A T 3<5S+ 0 0 69 -4,-2.4 -394,-0.6 1,-0.3 -1,-0.3 0.463 106.1 53.9 -62.9 0.9 157.9 45.2 176.9 410 409 A L T < 5S- 0 0 3 -3,-1.5 -397,-2.2 -5,-0.1 -1,-0.3 0.350 127.9 -94.6-115.0 -0.2 156.3 43.7 180.0 411 410 A G T < 5S+ 0 0 41 -3,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.352 72.6 151.0 102.4 -6.5 153.7 41.5 178.5 412 411 A A < - 0 0 5 -5,-2.0 2,-0.8 1,-0.1 -1,-0.3 -0.257 46.2-136.4 -58.9 146.4 150.9 44.0 178.6 413 412 A N E +B 7 0A 72 -406,-0.6 -406,-2.3 -31,-0.1 2,-0.4 -0.631 50.7 146.5-104.5 69.5 148.2 43.6 175.9 414 413 A I E -B 6 0A 8 -2,-0.8 2,-0.4 -408,-0.2 -408,-0.2 -0.867 25.5-175.9-113.7 143.6 147.9 47.2 175.0 415 414 A E E -B 5 0A 104 -410,-1.5 -410,-3.2 -2,-0.4 2,-0.4 -0.999 22.5-130.0-138.7 136.9 147.2 49.0 171.8 416 415 A R E -B 4 0A 65 -2,-0.4 2,-0.5 -412,-0.2 -412,-0.2 -0.712 20.8-156.0 -85.6 134.4 147.0 52.6 170.8 417 416 A V E -B 3 0A 34 -414,-3.7 -414,-1.6 -2,-0.4 -2,-0.0 -0.949 10.7-172.5-117.3 117.6 143.9 53.6 168.9 418 417 A K + 0 0 139 -2,-0.5 2,-0.7 -416,-0.2 -1,-0.1 0.854 67.9 65.8 -71.9 -42.9 144.0 56.6 166.6 419 418 A G 0 0 58 1,-0.2 -1,-0.1 -416,-0.1 -417,-0.1 -0.778 360.0 360.0 -92.2 114.7 140.4 57.1 165.6 420 419 A E 0 0 180 -2,-0.7 -1,-0.2 -418,-0.0 -417,-0.0 0.894 360.0 360.0 -41.0 360.0 138.0 58.0 168.5