==== 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 2GGD . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM SP.; . AUTHOR E.SCHONBRUNN,T.FUNKE . 445 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 17.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 0 1 3 1 0 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 5 2 2 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 4 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 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 6 A S 0 0 147 0, 0.0 2,-0.3 0, 0.0 421,-0.1 0.000 360.0 360.0 360.0 -58.9 -147.2 15.2 132.4 2 7 A S - 0 0 62 418,-0.1 418,-0.2 419,-0.1 417,-0.0 -0.852 360.0-160.2-110.1 149.6 -148.4 18.4 130.9 3 8 A R - 0 0 150 -2,-0.3 418,-2.0 2,-0.0 419,-0.2 -0.853 13.6-152.2-130.6 96.9 -150.2 21.1 132.8 4 9 A P - 0 0 48 0, 0.0 441,-2.8 0, 0.0 2,-0.3 -0.214 10.5-165.6 -67.7 160.1 -152.1 23.6 130.6 5 10 A A E -AB 418 444A 0 413,-1.7 413,-2.6 439,-0.3 2,-0.4 -0.989 7.4-149.5-144.1 150.0 -152.8 27.2 131.7 6 11 A T E -AB 417 443A 22 437,-2.5 437,-2.6 -2,-0.3 2,-0.4 -0.980 4.2-153.7-127.3 134.4 -155.1 29.9 130.4 7 12 A A E -AB 416 442A 0 409,-2.9 409,-2.0 -2,-0.4 2,-0.3 -0.907 15.3-158.9-108.0 135.9 -154.6 33.7 130.6 8 13 A R E - B 0 441A 106 433,-2.8 433,-0.6 -2,-0.4 405,-0.1 -0.851 33.3 -81.2-118.1 151.7 -157.6 36.0 130.6 9 14 A K - 0 0 102 -2,-0.3 2,-0.2 403,-0.2 402,-0.2 -0.151 57.8-157.2 -51.7 129.9 -158.2 39.6 129.7 10 15 A S - 0 0 9 400,-2.3 2,-0.1 1,-0.0 3,-0.1 -0.697 18.0-119.2-118.4 161.2 -157.1 41.7 132.6 11 16 A S S S- 0 0 92 428,-0.4 244,-0.1 -2,-0.2 430,-0.1 -0.418 71.9 -47.6 -80.3 169.5 -157.6 45.1 134.2 12 17 A G - 0 0 27 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.020 58.7-128.0 -44.4 131.2 -154.5 47.3 134.6 13 18 A L + 0 0 0 240,-0.3 244,-2.4 236,-0.2 2,-0.3 -0.623 36.0 178.6 -80.6 143.9 -151.5 45.5 136.0 14 19 A S E +d 257 0B 78 424,-2.1 2,-0.3 -2,-0.3 244,-0.2 -0.978 19.7 67.0-154.9 133.7 -150.1 47.5 138.9 15 20 A G E -d 258 0B 27 242,-1.8 244,-2.4 -2,-0.3 2,-0.4 -0.917 62.5 -91.4 151.2-176.0 -147.3 47.1 141.4 16 21 A T E +d 259 0B 90 -2,-0.3 2,-0.3 242,-0.2 244,-0.2 -0.997 42.6 175.3-135.5 126.5 -143.5 47.1 142.0 17 22 A V E -d 260 0B 27 242,-2.5 244,-2.8 -2,-0.4 2,-0.5 -0.979 32.7-127.0-138.3 149.1 -141.7 43.7 142.0 18 23 A R E -d 261 0B 205 -2,-0.3 244,-0.1 242,-0.2 242,-0.0 -0.824 34.7-134.7 -90.6 128.1 -138.1 42.5 142.2 19 24 A I - 0 0 13 242,-1.3 3,-0.1 -2,-0.5 224,-0.0 -0.568 26.8 -98.6 -83.3 148.3 -137.4 40.2 139.2 20 25 A P - 0 0 14 0, 0.0 219,-3.0 0, 0.0 26,-0.1 -0.169 55.3 -73.6 -62.3 164.6 -135.7 36.9 139.7 21 26 A G B -E 238 0B 8 24,-0.3 217,-0.2 217,-0.3 2,-0.2 -0.066 54.8 -87.6 -59.6 156.4 -131.9 36.6 139.1 22 27 A D > - 0 0 0 215,-2.6 4,-2.2 1,-0.1 24,-0.4 -0.419 30.4-149.8 -66.7 127.6 -130.2 36.5 135.7 23 28 A K H > S+ 0 0 10 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 93.5 50.3 -65.4 -46.5 -130.1 32.9 134.4 24 29 A S H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 115.9 41.3 -59.6 -47.8 -126.8 33.4 132.3 25 30 A I H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 112.7 55.5 -69.0 -35.4 -124.9 34.9 135.3 26 31 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.930 106.1 50.7 -64.3 -44.8 -126.4 32.4 137.7 27 32 A H H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.946 113.7 45.4 -54.5 -49.9 -125.2 29.4 135.6 28 33 A R H X S+ 0 0 3 -4,-1.7 4,-3.3 1,-0.2 5,-0.4 0.791 105.7 60.3 -67.3 -28.4 -121.7 31.0 135.6 29 34 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.923 109.4 43.0 -64.7 -43.7 -121.7 31.8 139.3 30 35 A F H X S+ 0 0 2 -4,-1.9 4,-1.9 3,-0.2 -2,-0.2 0.907 118.8 45.5 -67.2 -41.6 -122.1 28.1 140.1 31 36 A M H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.954 119.3 37.6 -68.8 -48.2 -119.5 27.1 137.5 32 37 A F H X S+ 0 0 2 -4,-3.3 4,-2.4 2,-0.2 -3,-0.2 0.870 117.2 51.2 -74.1 -35.7 -116.9 29.6 138.3 33 38 A G H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.892 111.2 49.9 -64.8 -39.2 -117.5 29.4 142.0 34 39 A G H < S+ 0 0 0 -4,-1.9 43,-2.3 -5,-0.2 -2,-0.2 0.807 116.5 41.2 -69.4 -28.0 -117.2 25.6 141.8 35 40 A L H < S+ 0 0 0 -4,-1.4 43,-0.9 41,-0.3 46,-0.3 0.822 97.5 90.6 -87.8 -34.9 -113.9 25.8 139.9 36 41 A A S < S- 0 0 0 -4,-2.4 42,-1.0 42,-0.2 2,-0.3 -0.049 84.4 -98.0 -65.3 164.1 -112.2 28.6 141.7 37 42 A S E S-Ij 77 230C 42 192,-2.7 194,-2.9 40,-0.2 40,-0.1 -0.646 85.6 -9.6 -81.2 135.1 -109.8 28.4 144.7 38 43 A G E S-I 76 0C 45 38,-0.6 38,-2.6 -2,-0.3 2,-0.3 -0.319 105.6 -15.0 81.7-161.0 -111.6 29.0 148.0 39 44 A E E -I 75 0C 82 36,-0.2 2,-0.4 192,-0.2 36,-0.2 -0.628 44.5-170.4 -93.0 139.3 -115.0 30.4 148.8 40 45 A T E -I 74 0C 0 34,-2.3 34,-3.0 -2,-0.3 2,-0.5 -0.966 8.8-159.0-122.3 138.5 -117.5 32.1 146.5 41 46 A R E -Ik 73 233C 82 191,-1.9 193,-3.3 -2,-0.4 2,-0.5 -0.989 8.4-166.9-122.4 127.9 -120.6 33.8 148.0 42 47 A I E -Ik 72 234C 0 30,-3.1 30,-2.8 -2,-0.5 2,-0.4 -0.951 7.2-175.2-123.0 126.5 -123.6 34.5 145.7 43 48 A T E S+Ik 71 235C 49 191,-2.4 193,-3.1 -2,-0.5 28,-0.1 -0.890 71.3 24.1-115.7 147.9 -126.7 36.6 146.4 44 49 A G S S+ 0 0 39 26,-0.6 -23,-0.2 -2,-0.4 -1,-0.1 0.568 79.1 170.4 80.1 10.3 -129.7 36.9 144.1 45 50 A L - 0 0 15 25,-0.3 2,-0.5 -3,-0.2 -24,-0.3 -0.212 38.5-117.0 -56.9 138.7 -129.1 33.6 142.4 46 51 A L - 0 0 1 -24,-0.4 -1,-0.1 -26,-0.1 382,-0.1 -0.679 22.7-162.9 -75.1 127.8 -131.8 32.3 140.1 47 52 A E + 0 0 74 -2,-0.5 -1,-0.1 4,-0.1 381,-0.1 -0.034 41.6 132.4-104.5 32.0 -133.2 29.1 141.5 48 53 A G S > S- 0 0 0 379,-0.2 4,-2.0 378,-0.1 3,-0.5 -0.347 73.7 -99.5 -75.8 164.1 -134.9 27.9 138.4 49 54 A E H > S+ 0 0 90 376,-2.4 4,-2.3 1,-0.2 377,-0.2 0.822 118.6 58.7 -56.8 -37.9 -134.3 24.3 137.3 50 55 A D H > S+ 0 0 3 376,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.930 110.4 42.6 -57.8 -45.2 -131.7 25.1 134.6 51 56 A V H > S+ 0 0 0 -3,-0.5 4,-2.3 375,-0.5 -2,-0.2 0.895 110.8 55.0 -70.7 -39.4 -129.4 26.7 137.2 52 57 A I H X S+ 0 0 44 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.903 105.7 53.9 -61.8 -39.4 -130.0 24.0 139.8 53 58 A N H X S+ 0 0 31 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.887 107.1 50.4 -63.2 -37.4 -128.9 21.4 137.2 54 59 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.922 109.1 52.3 -65.0 -40.2 -125.7 23.2 136.6 55 60 A G H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.915 108.7 49.8 -60.6 -43.0 -125.1 23.3 140.4 56 61 A K H X S+ 0 0 123 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.859 108.1 53.5 -65.4 -32.9 -125.6 19.6 140.6 57 62 A A H X S+ 0 0 5 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.920 109.7 48.2 -69.1 -39.7 -123.1 19.0 137.8 58 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-1.1 0.913 109.4 52.2 -67.1 -39.6 -120.5 21.0 139.6 59 64 A Q H ><5S+ 0 0 95 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.892 103.0 59.9 -60.4 -39.0 -121.1 19.1 142.9 60 65 A A H 3<5S+ 0 0 50 -4,-2.0 26,-0.3 1,-0.3 -1,-0.3 0.705 106.1 48.8 -62.1 -19.2 -120.6 15.9 141.0 61 66 A M T <<5S- 0 0 0 -3,-1.1 22,-2.6 -4,-0.6 -1,-0.3 0.202 133.3 -80.8-108.1 16.5 -117.1 17.1 140.1 62 67 A G T < 5S+ 0 0 28 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.352 83.1 131.2 110.8 -10.5 -116.1 18.1 143.6 63 68 A A < - 0 0 6 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.3 -0.519 48.9-139.2 -76.9 145.8 -117.5 21.5 144.4 64 69 A R E -L 75 0C 188 11,-2.1 11,-2.5 -2,-0.2 2,-0.4 -0.939 25.9-178.8-106.9 118.8 -119.3 21.9 147.7 65 70 A I E +L 74 0C 21 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.961 9.1 155.3-122.5 134.0 -122.5 24.0 147.3 66 71 A R E -L 73 0C 101 7,-1.9 7,-3.1 -2,-0.4 2,-0.6 -0.978 35.8-125.5-151.9 159.2 -124.9 25.0 150.0 67 72 A K E -L 72 0C 95 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.945 21.3-175.4-114.9 120.7 -127.4 27.8 150.7 68 73 A E E > -L 71 0C 108 3,-3.0 3,-2.4 -2,-0.6 2,-0.2 -0.951 66.6 -45.7-114.6 114.0 -127.0 29.7 154.0 69 74 A G T 3 S- 0 0 65 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.459 123.8 -26.7 62.1-126.5 -129.9 32.2 154.5 70 75 A D T 3 S+ 0 0 135 -2,-0.2 -26,-0.6 -3,-0.1 2,-0.4 0.261 123.0 91.1-103.9 14.6 -130.3 33.9 151.1 71 76 A T E < -IL 43 68C 29 -3,-2.4 -3,-3.0 -28,-0.1 2,-0.5 -0.906 65.8-143.7-114.1 132.9 -126.6 33.4 150.1 72 77 A W E -IL 42 67C 38 -30,-2.8 -30,-3.1 -2,-0.4 2,-0.5 -0.815 20.3-160.6 -91.3 132.0 -125.3 30.4 148.1 73 78 A I E -IL 41 66C 0 -7,-3.1 -7,-1.9 -2,-0.5 2,-0.4 -0.959 6.8-170.1-117.7 131.0 -121.8 29.5 149.4 74 79 A I E -IL 40 65C 0 -34,-3.0 -34,-2.3 -2,-0.5 2,-0.7 -0.967 17.1-156.3-125.8 134.5 -119.4 27.5 147.2 75 80 A D E -IL 39 64C 52 -11,-2.5 -11,-2.1 -2,-0.4 -36,-0.2 -0.946 30.1-149.6-107.5 109.6 -116.1 25.9 148.1 76 81 A G E -I 38 0C 19 -38,-2.6 -38,-0.6 -2,-0.7 -41,-0.3 -0.311 17.1-132.7 -81.0 164.7 -114.3 25.5 144.8 77 82 A V E -I 37 0C 44 -43,-2.3 -40,-0.2 -40,-0.1 -41,-0.2 0.571 50.5-110.1 -91.9 -11.0 -111.8 22.9 143.7 78 83 A G > - 0 0 9 -42,-1.0 3,-2.6 -43,-0.9 -42,-0.2 0.207 49.7 -57.8 90.0 144.5 -109.3 25.3 142.2 79 84 A N T 3 S+ 0 0 32 1,-0.3 -43,-0.1 150,-0.3 102,-0.0 -0.320 132.1 19.2 -57.9 132.9 -108.5 25.6 138.5 80 85 A G T 3 S+ 0 0 36 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.415 101.5 103.0 86.2 0.4 -107.5 22.2 137.2 81 86 A G < + 0 0 26 -3,-2.6 -2,-0.1 -46,-0.3 -3,-0.0 0.362 38.3 130.3 -99.9 6.2 -109.0 20.5 140.2 82 87 A L - 0 0 9 -4,-0.1 2,-0.3 1,-0.1 -20,-0.2 -0.333 50.3-136.1 -61.9 143.3 -112.3 19.1 138.8 83 88 A L - 0 0 105 -22,-2.6 -20,-0.1 1,-0.1 -1,-0.1 -0.749 27.1 -94.2-102.1 147.1 -112.9 15.4 139.7 84 89 A A - 0 0 57 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.353 45.3-120.4 -61.4 125.8 -114.1 12.8 137.3 85 90 A P - 0 0 17 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.431 9.2-143.8 -70.1 143.7 -117.9 12.5 137.6 86 91 A E S S+ 0 0 208 -26,-0.3 3,-0.1 -2,-0.1 -25,-0.0 0.833 80.8 16.9 -72.1 -37.1 -119.3 9.1 138.6 87 92 A A S S- 0 0 64 1,-0.1 26,-0.3 -27,-0.1 3,-0.0 -0.770 102.9 -62.4-130.8 173.9 -122.4 9.3 136.5 88 93 A P - 0 0 67 0, 0.0 2,-0.7 0, 0.0 26,-0.2 -0.237 50.0-117.2 -59.5 148.8 -123.7 11.3 133.5 89 94 A L E -m 114 0D 5 24,-3.4 26,-2.3 -4,-0.1 2,-0.8 -0.819 30.3-150.6 -86.8 115.9 -124.1 15.1 134.1 90 95 A D E +m 115 0D 84 -2,-0.7 26,-0.2 24,-0.2 -33,-0.1 -0.791 21.1 176.7 -97.2 107.2 -127.8 15.7 133.6 91 96 A F > - 0 0 0 24,-2.6 3,-2.7 -2,-0.8 2,-0.3 0.476 17.6-162.6 -90.2 2.3 -128.5 19.1 132.3 92 97 A G T 3 S- 0 0 12 23,-0.3 25,-3.0 1,-0.3 28,-0.3 -0.374 72.6 -17.8 58.2-116.1 -132.3 18.7 132.0 93 98 A N T 3 S+ 0 0 3 -2,-0.3 2,-1.1 23,-0.2 -1,-0.3 0.441 107.4 117.2-100.7 0.2 -133.5 21.5 129.7 94 99 A A <> + 0 0 0 -3,-2.7 4,-2.3 1,-0.2 5,-0.1 -0.580 28.4 167.8 -89.0 98.1 -130.3 23.7 130.1 95 100 A G H > S+ 0 0 5 -2,-1.1 4,-3.2 2,-0.2 5,-0.4 0.887 80.8 57.3 -65.7 -41.2 -128.3 24.3 127.0 96 101 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.953 112.0 41.0 -56.8 -50.0 -126.2 27.0 128.7 97 102 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 117.5 48.8 -64.0 -46.0 -125.1 24.7 131.4 98 103 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.959 115.3 40.7 -59.0 -55.4 -124.5 21.8 129.0 99 104 A R H X S+ 0 0 4 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.911 117.0 47.2 -64.8 -42.6 -122.5 23.6 126.4 100 105 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.4 -1,-0.2 0.918 112.8 50.1 -66.2 -39.4 -120.4 25.6 128.8 101 106 A T H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 5,-0.5 0.843 102.8 60.8 -69.6 -29.3 -119.6 22.5 130.9 102 107 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.927 110.4 41.7 -61.3 -41.7 -118.6 20.5 127.8 103 108 A G H X S+ 0 0 0 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.945 114.7 52.1 -69.3 -43.9 -115.9 23.1 127.3 104 109 A L H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.932 125.9 20.3 -58.6 -49.1 -115.0 23.2 130.9 105 110 A V H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 5,-0.3 0.663 102.8 81.6-101.3 -15.2 -114.6 19.5 131.5 106 111 A G H 3< S+ 0 0 1 -4,-2.0 32,-0.2 -5,-0.5 -1,-0.2 0.776 90.8 56.9 -59.2 -28.0 -114.0 18.1 128.1 107 112 A V T 3< S+ 0 0 1 -4,-0.7 -1,-0.3 -3,-0.2 2,-0.3 0.418 86.5 100.6 -84.3 0.8 -110.3 19.1 128.3 108 113 A Y S < S- 0 0 11 -3,-2.0 2,-2.2 2,-0.1 45,-1.6 -0.649 85.6-113.5 -86.6 146.6 -109.8 17.1 131.5 109 114 A D S S+ 0 0 82 -2,-0.3 2,-0.3 46,-0.2 -1,-0.1 -0.340 89.7 71.5 -79.7 56.1 -108.1 13.7 131.2 110 115 A F S S- 0 0 31 -2,-2.2 43,-1.1 -5,-0.3 2,-0.3 -0.946 88.0 -89.1-155.1 168.8 -111.2 11.7 132.3 111 116 A D E - 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