==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-06 2GG4 . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM SP.; . AUTHOR E.SCHONBRUNN,T.FUNKE . 443 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 16.9 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 . 4 0.9 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 . 47 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 3 1 1 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 5 3 2 0 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 . 1 0 5 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 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 8 A R 0 0 184 0, 0.0 418,-1.8 0, 0.0 419,-0.2 0.000 360.0 360.0 360.0 77.6 106.7 51.5 152.5 2 9 A P - 0 0 48 0, 0.0 441,-3.1 0, 0.0 2,-0.3 -0.134 360.0-164.0 -61.1 159.9 108.5 48.2 153.2 3 10 A A E -AB 416 442A 1 413,-1.7 413,-2.5 439,-0.2 2,-0.4 -0.988 6.5-151.9-144.5 150.5 107.3 45.8 155.9 4 11 A T E -AB 415 441A 23 437,-2.9 437,-3.1 -2,-0.3 2,-0.4 -0.986 1.6-157.6-129.6 134.2 108.9 42.9 157.6 5 12 A A E -AB 414 440A 0 409,-2.7 409,-2.0 -2,-0.4 2,-0.4 -0.895 13.8-159.3-107.9 139.7 107.2 39.9 159.1 6 13 A R E - B 0 439A 92 433,-2.4 433,-0.7 -2,-0.4 405,-0.1 -0.933 38.2 -74.5-121.8 147.4 109.1 38.0 161.8 7 14 A K - 0 0 108 403,-0.4 2,-0.3 -2,-0.4 402,-0.2 -0.036 53.8-137.7 -40.3 124.1 108.6 34.4 163.0 8 15 A S - 0 0 10 400,-3.3 3,-0.1 1,-0.1 430,-0.1 -0.629 7.6-138.8 -91.7 151.7 105.4 34.3 165.1 9 16 A S S S- 0 0 130 428,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.609 76.5 -45.2 -81.8 -15.2 105.1 32.4 168.3 10 17 A G - 0 0 24 427,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.338 57.7-124.6 146.8 125.4 101.6 31.1 167.6 11 18 A L + 0 0 1 240,-0.4 244,-3.0 236,-0.2 2,-0.3 -0.722 33.3 163.8 -96.0 143.0 98.5 32.9 166.2 12 19 A S E +d 255 0B 78 424,-2.1 2,-0.2 -2,-0.3 244,-0.2 -0.986 18.4 89.3-155.6 149.0 95.2 32.9 168.0 13 20 A G E -d 256 0B 27 242,-0.9 244,-2.6 -2,-0.3 2,-0.5 -0.762 62.0 -98.5 146.2 167.4 92.0 34.8 167.8 14 21 A T E +d 257 0B 90 -2,-0.2 2,-0.3 242,-0.2 244,-0.2 -0.982 45.4 179.5-117.7 126.5 88.7 34.9 166.1 15 22 A V E -d 258 0B 21 242,-2.8 244,-3.6 -2,-0.5 2,-0.4 -0.939 23.4-149.4-131.6 152.9 88.5 37.2 163.2 16 23 A R E -d 259 0B 93 -2,-0.3 244,-0.1 242,-0.2 245,-0.1 -0.939 21.9-137.9-115.5 145.2 85.9 38.3 160.7 17 24 A I - 0 0 5 242,-0.7 3,-0.1 -2,-0.4 224,-0.0 -0.717 33.6 -86.2-100.3 150.5 87.1 39.3 157.3 18 25 A P - 0 0 27 0, 0.0 219,-3.2 0, 0.0 222,-0.2 -0.296 62.8 -90.2 -55.4 137.7 85.7 42.3 155.3 19 26 A G B -E 236 0B 5 23,-0.4 217,-0.3 217,-0.3 2,-0.2 0.001 44.6 -95.9 -48.8 151.1 82.6 41.2 153.4 20 27 A D > - 0 0 3 215,-2.8 4,-2.1 1,-0.1 24,-0.4 -0.503 27.1-139.8 -69.4 137.1 83.0 39.9 149.9 21 28 A K H > S+ 0 0 122 -2,-0.2 4,-3.1 2,-0.2 5,-0.2 0.908 98.8 50.2 -65.2 -43.8 82.4 42.6 147.3 22 29 A S H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 115.1 41.1 -62.9 -48.9 80.4 40.4 144.9 23 30 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 115.6 52.1 -68.8 -34.9 78.0 39.1 147.6 24 31 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.951 110.7 48.5 -63.8 -47.9 77.8 42.5 149.1 25 32 A H H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.954 114.5 44.1 -57.4 -51.6 76.9 44.0 145.7 26 33 A R H X S+ 0 0 13 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.869 111.2 54.5 -65.6 -31.6 74.3 41.4 145.0 27 34 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.935 112.3 43.8 -66.0 -44.4 72.8 41.6 148.5 28 35 A F H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.941 117.3 45.0 -67.1 -44.6 72.4 45.3 148.1 29 36 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.952 118.5 41.6 -62.8 -51.0 71.0 45.1 144.6 30 37 A F H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.2 0.868 110.8 58.8 -65.8 -34.0 68.6 42.2 145.4 31 38 A G H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.910 110.7 42.0 -60.5 -40.4 67.8 43.9 148.7 32 39 A G H < S+ 0 0 0 -4,-2.0 43,-2.6 1,-0.2 44,-0.2 0.781 118.8 45.3 -77.3 -27.5 66.6 46.9 146.7 33 40 A L H < S+ 0 0 0 -4,-1.9 43,-0.4 41,-0.3 46,-0.3 0.853 95.9 88.3 -83.6 -35.6 64.8 44.9 144.0 34 41 A A S < S- 0 0 0 -4,-3.0 42,-0.9 42,-0.2 2,-0.3 -0.183 82.2-109.0 -68.0 156.5 63.0 42.3 146.2 35 42 A S B S+i 228 0C 54 192,-3.0 194,-2.4 40,-0.2 40,-0.1 -0.629 86.3 14.9 -79.9 139.7 59.6 42.7 147.7 36 43 A G S S- 0 0 48 38,-0.5 38,-2.3 -2,-0.3 2,-0.4 -0.381 104.8 -39.2 92.6-170.9 59.8 43.2 151.5 37 44 A E E -J 73 0D 66 36,-0.2 2,-0.4 192,-0.2 36,-0.2 -0.742 41.6-164.8-104.6 140.3 62.7 44.1 153.6 38 45 A T E -J 72 0D 0 34,-2.9 34,-3.6 -2,-0.4 2,-0.5 -0.951 5.3-160.4-118.6 140.6 66.3 42.9 153.5 39 46 A R E -Jk 71 231D 93 191,-2.3 193,-3.7 -2,-0.4 2,-0.5 -0.991 10.7-170.2-123.0 124.6 68.7 43.4 156.4 40 47 A I E +Jk 70 232D 0 30,-3.2 30,-3.5 -2,-0.5 2,-0.3 -0.966 9.5 176.0-122.4 130.2 72.4 43.2 155.6 41 48 A T E + k 0 233D 37 191,-2.7 193,-3.2 -2,-0.5 28,-0.1 -0.885 68.8 33.8-123.0 157.5 75.2 43.1 158.0 42 49 A G S S+ 0 0 27 26,-0.5 -23,-0.4 -2,-0.3 -1,-0.1 0.614 78.3 170.9 75.6 10.2 78.9 42.7 157.1 43 50 A L - 0 0 18 25,-0.3 2,-1.0 189,-0.1 -1,-0.2 -0.260 36.3-134.7 -57.5 132.0 78.4 44.7 153.9 44 51 A L - 0 0 38 -24,-0.4 2,-1.8 -26,-0.1 5,-0.2 -0.834 19.9-153.4 -86.4 109.4 81.6 45.6 152.1 45 52 A E + 0 0 86 -2,-1.0 2,-0.1 4,-0.1 -1,-0.1 -0.418 39.8 145.3 -86.1 63.6 80.7 49.2 151.4 46 53 A G > - 0 0 18 -2,-1.8 4,-3.4 -25,-0.1 5,-0.3 -0.319 67.1 -85.4 -91.8 178.7 82.8 49.5 148.3 47 54 A E H > S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.870 126.4 49.5 -52.5 -45.7 82.3 51.6 145.2 48 55 A D H > S+ 0 0 37 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.935 116.7 41.6 -63.0 -46.2 80.2 48.9 143.4 49 56 A V H > S+ 0 0 4 -5,-0.2 4,-3.1 2,-0.2 5,-0.2 0.974 118.5 45.7 -64.4 -54.9 77.9 48.4 146.5 50 57 A I H X S+ 0 0 91 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.955 116.9 43.3 -53.2 -56.4 77.7 52.1 147.2 51 58 A N H X S+ 0 0 13 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.893 115.0 50.1 -60.7 -36.9 77.0 53.1 143.7 52 59 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.902 110.1 50.3 -69.9 -36.4 74.6 50.2 143.2 53 60 A G H X S+ 0 0 5 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.905 108.8 52.6 -64.4 -39.8 72.8 51.2 146.3 54 61 A K H X S+ 0 0 105 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.901 111.4 46.9 -62.3 -40.0 72.6 54.8 145.1 55 62 A A H X S+ 0 0 3 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.909 111.1 50.1 -69.9 -40.3 71.1 53.5 141.8 56 63 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.5 0.918 112.7 47.9 -63.8 -41.2 68.6 51.2 143.6 57 64 A Q H ><5S+ 0 0 110 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.930 106.6 56.5 -62.9 -44.1 67.6 54.2 145.8 58 65 A A H 3<5S+ 0 0 45 -4,-2.6 26,-0.4 1,-0.3 -1,-0.2 0.756 109.8 48.4 -58.5 -22.0 67.3 56.3 142.6 59 66 A M T <<5S- 0 0 0 -4,-1.1 22,-3.1 -3,-0.5 -1,-0.3 0.140 134.1 -80.3-107.1 18.3 64.8 53.7 141.4 60 67 A G T < 5S+ 0 0 27 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.250 80.5 136.5 112.1 -16.8 62.7 53.5 144.5 61 68 A A < - 0 0 3 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.3 -0.397 48.0-137.4 -67.0 142.3 64.4 51.2 147.0 62 69 A R E -L 73 0D 187 11,-2.9 11,-3.3 -30,-0.1 2,-0.4 -0.922 28.0-176.9-104.9 117.6 64.4 52.6 150.5 63 70 A I E +L 72 0D 30 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.923 12.4 153.3-119.8 140.0 67.7 52.2 152.1 64 71 A R E -L 71 0D 103 7,-1.8 7,-3.8 -2,-0.4 2,-0.5 -0.981 30.4-136.6-157.0 155.6 68.9 53.0 155.7 65 72 A K E +L 70 0D 93 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.986 19.1 179.6-123.0 128.9 71.5 51.7 158.0 66 73 A E E > -L 69 0D 96 3,-3.3 3,-2.1 -2,-0.5 2,-0.2 -0.986 64.8 -34.6-129.8 119.4 70.8 51.1 161.7 67 74 A G T 3 S- 0 0 67 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.510 126.3 -29.2 69.3-133.7 73.5 49.9 163.9 68 75 A D T 3 S+ 0 0 132 -2,-0.2 2,-0.5 -3,-0.1 -26,-0.5 0.265 122.5 99.6 -98.0 14.4 75.7 47.6 161.8 69 76 A T E < - L 0 66D 33 -3,-2.1 -3,-3.3 -28,-0.1 2,-0.4 -0.875 60.3-152.0-113.5 124.3 72.7 46.7 159.7 70 77 A W E -JL 40 65D 48 -30,-3.5 -30,-3.2 -2,-0.5 2,-0.5 -0.741 18.1-159.5 -85.5 134.9 71.6 48.0 156.3 71 78 A I E -JL 39 64D 0 -7,-3.8 -7,-1.8 -2,-0.4 2,-0.5 -0.983 9.2-173.9-120.0 122.5 67.9 47.8 156.0 72 79 A I E -JL 38 63D 0 -34,-3.6 -34,-2.9 -2,-0.5 2,-0.8 -0.959 17.7-161.9-123.1 127.1 66.4 47.9 152.6 73 80 A D E -JL 37 62D 46 -11,-3.3 -11,-2.9 -2,-0.5 -36,-0.2 -0.933 29.9-148.4-104.1 110.4 62.8 48.0 151.6 74 81 A G - 0 0 18 -38,-2.3 -38,-0.5 -2,-0.8 -41,-0.3 -0.297 17.7-126.5 -78.2 166.7 62.8 46.8 148.0 75 82 A V - 0 0 37 -43,-2.6 -40,-0.2 -40,-0.1 -41,-0.2 0.482 55.0-107.5 -89.9 -5.0 60.5 47.8 145.2 76 83 A G > - 0 0 7 -42,-0.9 3,-2.4 -43,-0.4 -42,-0.2 0.267 51.4 -58.8 86.2 140.7 59.6 44.3 144.3 77 84 A N T 3 S+ 0 0 29 150,-0.4 -43,-0.1 1,-0.3 150,-0.1 -0.311 133.3 17.1 -55.1 131.4 60.9 42.5 141.2 78 85 A G T 3 S+ 0 0 37 148,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.562 102.0 107.1 81.4 8.5 59.8 44.6 138.2 79 86 A G < + 0 0 23 -3,-2.4 -2,-0.1 -46,-0.3 -3,-0.0 0.427 37.6 134.0-102.1 2.7 59.2 47.4 140.5 80 87 A L - 0 0 10 -4,-0.2 2,-0.3 1,-0.1 -20,-0.2 -0.201 48.8-136.6 -56.2 137.4 62.0 49.7 139.7 81 88 A L - 0 0 99 -22,-3.1 -20,-0.1 -25,-0.2 -1,-0.1 -0.742 29.3 -95.6 -97.3 144.8 61.1 53.3 139.3 82 89 A A - 0 0 58 -2,-0.3 28,-0.1 1,-0.1 2,-0.1 -0.375 46.2-115.9 -58.7 127.7 62.5 55.3 136.4 83 90 A P - 0 0 17 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.428 10.7-143.7 -68.8 144.0 65.6 57.2 137.7 84 91 A E S S+ 0 0 197 -26,-0.4 -2,-0.1 -2,-0.1 -25,-0.1 0.496 81.8 17.4 -83.7 -6.3 65.3 61.0 137.7 85 92 A A S S- 0 0 50 -27,-0.1 26,-0.3 26,-0.1 -1,-0.0 -0.977 99.8 -65.5-156.9 167.1 68.9 61.4 136.8 86 93 A P - 0 0 71 0, 0.0 2,-0.9 0, 0.0 26,-0.2 -0.199 47.2-120.9 -57.9 150.1 71.9 59.5 135.3 87 94 A L E -m 112 0E 7 24,-3.9 26,-1.9 -4,-0.1 2,-0.6 -0.848 28.5-156.6 -94.9 105.9 73.2 56.7 137.4 88 95 A D E -m 113 0E 62 -2,-0.9 26,-0.2 24,-0.2 3,-0.1 -0.747 15.9-178.2 -87.7 121.1 76.8 57.6 138.0 89 96 A F > - 0 0 0 24,-3.0 3,-3.5 -2,-0.6 25,-0.2 0.299 17.7-157.9-103.2 15.3 78.9 54.6 138.8 90 97 A G T 3 S- 0 0 13 1,-0.3 25,-2.3 23,-0.2 -1,-0.3 -0.272 74.4 -28.0 47.6-115.9 82.1 56.5 139.4 91 98 A N T 3 S+ 0 0 42 23,-0.2 2,-1.8 -3,-0.1 -1,-0.3 0.313 104.5 121.3-109.2 7.7 84.7 53.8 138.7 92 99 A A <> + 0 0 1 -3,-3.5 4,-1.9 1,-0.2 5,-0.1 -0.512 30.2 169.2 -76.6 84.5 82.5 50.9 139.8 93 100 A A H > S+ 0 0 13 -2,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.881 74.9 47.5 -63.3 -42.1 82.5 48.9 136.5 94 101 A T H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.963 112.5 47.1 -67.3 -49.9 80.9 45.8 138.0 95 102 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 114.7 50.9 -58.7 -33.8 78.1 47.7 139.7 96 103 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.957 111.5 44.1 -69.4 -50.0 77.7 49.5 136.5 97 104 A R H X S+ 0 0 46 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.871 115.7 46.6 -64.7 -38.7 77.5 46.5 134.3 98 105 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.888 111.5 51.5 -72.8 -36.1 75.2 44.5 136.5 99 106 A T H X S+ 0 0 0 -4,-1.8 4,-3.5 -5,-0.3 5,-0.3 0.901 107.4 53.6 -65.6 -37.9 72.9 47.5 137.0 100 107 A M H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.928 109.6 48.5 -60.3 -44.7 72.7 47.9 133.3 101 108 A G H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.937 116.2 43.2 -60.3 -45.8 71.7 44.3 133.0 102 109 A L H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.954 125.7 31.2 -62.2 -53.4 69.1 44.7 135.7 103 110 A V H >< S+ 0 0 0 -4,-3.5 3,-2.4 1,-0.2 48,-0.3 0.728 99.2 77.0 -82.7 -29.2 67.7 48.0 134.5 104 111 A G H 3< S+ 0 0 0 -4,-3.2 32,-0.3 -5,-0.3 -1,-0.2 0.845 93.4 56.0 -54.2 -35.4 68.2 47.9 130.7 105 112 A V T 3< S+ 0 0 1 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.3 0.492 87.0 101.5 -77.7 -1.5 65.2 45.6 130.4 106 113 A Y S < S- 0 0 8 -3,-2.4 45,-2.7 2,-0.1 2,-2.1 -0.639 82.3-120.4 -85.2 143.9 63.0 48.2 132.2 107 114 A D S S+ 0 0 70 -2,-0.3 2,-0.3 46,-0.2 -1,-0.1 -0.351 85.1 79.1 -81.8 56.1 60.7 50.3 130.1 108 115 A F S S- 0 0 24 -2,-2.1 43,-0.7 -5,-0.3 2,-0.3 -0.957 89.4 -90.0-151.6 159.8 62.1 53.6 131.2 109 116 A D E - N 0 150E 90 -2,-0.3 2,-0.4 41,-0.2 41,-0.2 -0.596 40.0-176.3 -77.6 137.8 65.2 55.5 130.2 110 117 A S E - N 0 149E 1 39,-2.9 39,-4.0 -2,-0.3 2,-0.5 -1.000 6.5-163.7-133.1 130.7 68.3 54.8 132.2 111 118 A T E - N 0 148E 42 -2,-0.4 -24,-3.9 37,-0.3 2,-0.4 -0.971 3.1-162.6-119.8 131.3 71.6 56.7 131.7 112 119 A F E +mN 87 147E 0 35,-3.4 35,-2.4 -2,-0.5 2,-0.3 -0.942 15.7 165.3-113.6 134.4 74.8 55.4 133.0 113 120 A I E +m 88 0E 49 -26,-1.9 -24,-3.0 -2,-0.4 2,-0.3 -0.877 5.2 173.3-137.6 168.3 77.9 57.6 133.4 114 121 A G - 0 0 15 -2,-0.3 -23,-0.2 -26,-0.2 -26,-0.0 -0.939 38.0 -65.8-163.6 180.0 81.1 57.1 135.3 115 122 A D > - 0 0 57 -25,-2.3 4,-2.5 -2,-0.3 5,-0.2 -0.085 61.5 -88.3 -71.3 176.4 84.5 58.7 135.8 116 123 A A H > S+ 0 0 83 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.898 126.8 54.2 -52.7 -44.6 87.2 58.9 133.1 117 124 A S H >> S+ 0 0 48 1,-0.2 3,-1.6 2,-0.2 4,-0.6 0.980 112.8 38.6 -55.7 -62.3 88.5 55.5 134.0 118 125 A L H >4 S+ 0 0 0 -28,-0.3 3,-1.1 1,-0.3 27,-0.4 0.827 106.4 68.1 -60.8 -32.4 85.2 53.6 133.7 119 126 A T H 3< S+ 0 0 41 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 98.0 52.2 -62.1 -20.0 84.2 55.6 130.7 120 127 A K H << S+ 0 0 144 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.670 88.3 104.3 -90.4 -15.0 86.9 53.9 128.7 121 128 A R S << S- 0 0 82 -3,-1.1 24,-0.4 -4,-0.6 2,-0.1 -0.408 77.4-115.3 -71.5 136.7 85.8 50.4 129.6 122 129 A P + 0 0 81 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.434 30.4 178.3 -68.6 140.3 84.0 48.3 127.0 123 130 A M >> + 0 0 2 20,-2.6 4,-2.7 19,-0.5 3,-2.3 0.440 52.1 103.9-120.9 -7.0 80.4 47.5 128.0 124 131 A G H 3> + 0 0 11 18,-0.5 4,-3.1 19,-0.5 19,-0.1 0.745 69.3 65.9 -48.8 -33.6 79.4 45.6 124.9 125 132 A R H 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.782 116.6 30.0 -63.5 -24.4 79.7 42.2 126.6 126 133 A V H <> S+ 0 0 3 -3,-2.3 4,-1.4 2,-0.1 -2,-0.2 0.796 119.7 53.6 -99.2 -38.6 76.7 43.3 128.7 127 134 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -3,-0.2 0.864 101.1 60.9 -66.7 -35.2 75.1 45.6 126.1 128 135 A N H X S+ 0 0 74 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.949 106.5 42.8 -59.2 -52.4 74.9 43.0 123.4 129 136 A P H > S+ 0 0 2 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.850 111.6 56.4 -65.3 -29.5 72.7 40.6 125.3 130 137 A L H ><>S+ 0 0 3 -4,-1.4 5,-2.4 1,-0.2 3,-1.0 0.932 106.3 49.9 -64.1 -42.9 70.6 43.4 126.5 131 138 A R H ><5S+ 0 0 89 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.862 106.3 56.9 -61.1 -36.7 70.0 44.5 122.8 132 139 A E H 3<5S+ 0 0 101 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.694 103.9 53.3 -68.3 -19.5 69.1 40.8 122.1 133 140 A M T <<5S- 0 0 0 -3,-1.0 23,-1.9 -4,-0.8 -1,-0.3 0.429 131.4 -94.2 -94.9 1.5 66.4 41.1 124.8 134 141 A G T < 5S+ 0 0 40 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.496 73.6 149.8 102.9 7.2 65.0 44.2 123.1 135 142 A V < - 0 0 7 -5,-2.4 2,-0.6 16,-0.2 -1,-0.3 -0.534 45.0-132.3 -77.9 133.0 66.8 46.9 125.0 136 143 A Q E -O 150 0E 97 14,-3.6 14,-1.6 -2,-0.3 2,-0.5 -0.754 27.8-162.5 -82.8 127.0 67.5 50.1 123.1 137 144 A V E -O 149 0E 23 -2,-0.6 2,-0.5 12,-0.2 12,-0.2 -0.935 17.6-178.0-116.2 132.2 71.1 51.0 123.7 138 145 A K E +O 148 0E 118 10,-2.6 10,-3.7 -2,-0.5 2,-0.3 -0.993 27.5 149.1-125.0 117.6 72.6 54.4 123.1 139 146 A S E - 0 0 36 -2,-0.5 8,-0.2 8,-0.3 6,-0.2 -0.872 40.9-104.1-143.1 174.9 76.3 54.3 123.9 140 147 A E E >> -O 144 0E 91 4,-3.3 4,-1.8 6,-0.4 3,-1.2 -0.410 69.7 -31.8 -95.9 174.5 79.6 55.9 122.9 141 148 A D T 34 S+ 0 0 119 1,-0.3 2,-1.4 2,-0.2 -2,-0.1 0.351 131.3 0.6 20.6-120.4 82.5 54.5 120.9 142 149 A G T 34 S- 0 0 50 1,-0.2 -18,-0.5 0, 0.0 -19,-0.5 -0.491 132.5 -61.1 -92.0 60.9 82.9 50.8 121.2 143 150 A D T <4 S+ 0 0 22 -2,-1.4 -20,-2.6 -3,-1.2 -19,-0.5 0.980 95.6 145.8 59.4 63.4 79.9 50.6 123.5 144 151 A R E < - O 0 140E 82 -4,-1.8 -4,-3.3 -22,-0.2 -1,-0.2 -0.842 40.2 -45.7-124.8 164.1 81.3 52.7 126.3 145 152 A L E S+ 0 0 1 -24,-0.4 -32,-0.1 -27,-0.4 2,-0.1 -0.255 98.0 68.8 -65.2 156.1 79.7 55.1 128.7 146 153 A P E S+ 0 0 53 0, 0.0 2,-0.4 0, 0.0 -6,-0.4 0.554 74.7 174.6 -73.1 152.2 77.9 57.2 128.8 147 154 A V E -N 112 0E 0 -35,-2.4 -35,-3.4 -8,-0.2 2,-0.5 -0.980 19.8-161.9-127.3 135.0 75.1 54.7 128.0 148 155 A T E -NO 111 138E 37 -10,-3.7 -10,-2.6 -2,-0.4 2,-0.4 -0.971 13.5-168.3-115.4 133.4 71.4 55.3 127.8 149 156 A L E +NO 110 137E 1 -39,-4.0 -39,-2.9 -2,-0.5 2,-0.3 -0.921 14.1 176.7-120.6 147.4 69.2 52.3 128.0 150 157 A R E -NO 109 136E 86 -14,-1.6 -14,-3.6 -2,-0.4 -43,-0.2 -0.856 19.9-148.4-149.4 108.8 65.5 51.9 127.4 151 158 A G - 0 0 2 -45,-2.7 -16,-0.2 -43,-0.7 -46,-0.2 -0.364 25.5-104.8 -75.1 160.9 64.0 48.5 127.6 152 159 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 -0.307 37.2-102.9 -76.3 167.7 61.1 47.5 125.5 153 160 A K S S+ 0 0 170 1,-0.3 -46,-0.2 -47,-0.1 -2,-0.1 0.908 115.9 18.8 -59.5 -39.2 57.7 47.3 127.2 154 161 A T S S- 0 0 81 -48,-0.1 -1,-0.3 -20,-0.1 26,-0.1 -0.948 84.9-151.9-135.2 109.3 58.1 43.6 127.2 155 162 A P - 0 0 3 0, 0.0 -21,-0.2 0, 0.0 -22,-0.1 -0.320 17.0-119.3 -76.6 164.6 61.5 42.1 126.8 156 163 A T - 0 0 72 -23,-1.9 26,-0.1 24,-0.1 2,-0.1 -0.876 21.0-126.1-105.5 136.8 62.2 38.8 125.3 157 164 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.422 33.6-160.3 -70.4 158.9 63.9 36.1 127.3 158 165 A I - 0 0 19 15,-0.1 27,-3.0 24,-0.1 2,-0.7 -0.910 25.2-127.1-138.2 164.9 67.0 34.8 125.5 159 166 A T E -p 185 0F 90 -2,-0.3 2,-0.6 25,-0.2 27,-0.2 -0.946 37.4-166.7-114.4 101.4 69.2 31.7 125.6 160 167 A Y E -p 186 0F 21 25,-3.4 27,-3.1 -2,-0.7 2,-0.9 -0.850 17.7-162.5-101.2 119.7 72.6 33.3 125.9 161 168 A R E -p 187 0F 171 -2,-0.6 27,-0.2 25,-0.2 25,-0.1 -0.878 32.4-125.6 -95.9 108.0 75.7 31.2 125.4 162 169 A V - 0 0 6 25,-1.9 3,-0.2 -2,-0.9 8,-0.0 -0.432 13.0-141.7 -59.3 107.7 78.3 33.4 127.0 163 170 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.789 90.8 18.7 -41.1 -31.6 80.8 33.8 124.1 164 171 A M S S- 0 0 111 2,-0.1 5,-0.2 -3,-0.0 24,-0.0 -0.911 103.9 -92.5-149.3 116.5 83.4 33.6 126.8 165 172 A A + 0 0 41 -2,-0.3 2,-0.3 -3,-0.2 3,-0.1 0.080 61.1 158.7 -26.5 109.2 83.0 32.2 130.3 166 173 A S > - 0 0 20 1,-0.1 4,-2.4 26,-0.1 5,-0.2 -0.914 36.8-162.2-148.1 115.2 82.2 35.4 132.3 167 174 A A H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 29,-0.1 0.878 96.9 53.2 -63.4 -35.0 80.4 35.5 135.6 168 175 A Q H > S+ 0 0 40 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.889 109.4 44.5 -67.7 -43.6 79.6 39.1 135.0 169 176 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 115.0 49.7 -68.0 -46.2 78.0 38.7 131.6 170 177 A K H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.935 112.9 49.0 -54.9 -45.9 76.1 35.7 133.0 171 178 A S H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.932 109.5 50.3 -61.3 -47.5 75.1 37.9 135.9 172 179 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.902 112.4 47.3 -59.4 -42.1 74.0 40.8 133.7 173 180 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.937 111.7 49.4 -67.5 -44.2 71.9 38.5 131.6 174 181 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.906 111.5 48.8 -61.2 -42.0 70.2 36.8 134.6 175 182 A L H >X S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.923 110.7 51.2 -63.0 -42.1 69.4 40.2 136.2 176 183 A A H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.884 104.2 59.7 -58.9 -37.7 68.0 41.2 132.8 177 184 A G H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 47,-0.4 0.799 88.1 75.0 -62.3 -28.2 66.0 38.1 133.0 178 185 A L H << S+ 0 0 2 -4,-1.1 46,-2.3 -3,-0.8 -1,-0.2 0.807 103.0 36.2 -56.0 -32.5 64.3 39.2 136.2 179 186 A N T << S+ 0 0 19 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.178 102.5 95.9-106.6 16.8 62.1 41.7 134.5 180 187 A T S < S- 0 0 0 -3,-2.0 4,-0.2 2,-0.1 43,-0.2 -0.915 75.1-125.2-113.2 129.6 61.6 39.5 131.4 181 188 A P S S+ 0 0 36 0, 0.0 43,-0.1 0, 0.0 2,-0.1 -0.371 77.0 17.0 -67.2 150.1 58.6 37.2 131.0 182 189 A G S S- 0 0 36 41,-0.4 41,-3.3 -26,-0.1 2,-0.6 -0.368 108.3 -34.2 87.6-165.9 59.5 33.6 130.3 183 190 A I E - 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0 0 7 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.3 -0.576 41.4-140.9 -77.7 140.4 101.6 38.3 163.9 439 446 A K E +B 6 0A 119 -433,-0.7 -433,-2.4 -2,-0.2 2,-0.5 -0.869 32.0 162.9-107.0 101.8 104.7 40.5 164.2 440 447 A I E -B 5 0A 28 -2,-0.8 2,-0.5 -435,-0.2 -435,-0.2 -0.951 22.2-157.3-122.9 110.4 104.8 42.8 161.2 441 448 A E E -B 4 0A 71 -437,-3.1 -437,-2.9 -2,-0.5 2,-0.5 -0.767 9.7-150.7 -91.8 124.6 107.1 45.8 161.4 442 449 A L E B 3 0A 102 -2,-0.5 -439,-0.2 -439,-0.2 -2,-0.0 -0.851 360.0 360.0-101.1 126.5 106.1 48.6 159.0 443 450 A S 0 0 110 -441,-3.1 -1,-0.1 -2,-0.5 -440,-0.1 0.863 360.0 360.0 -37.6 360.0 108.8 50.9 157.7