==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-03 1UR4 . COMPND 2 MOLECULE: GALACTANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR C.RYTTERSGAARD,J.LE NOURS,L.LO LEGGIO,C.T.JORGENSEN, . 773 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.6 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 55 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 4 0 0 0 4 0 2 0 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 2 4 4 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 . 10 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 11 A G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.9 35.5 16.1 23.6 2 12 A L - 0 0 32 1,-0.1 2,-0.4 2,-0.0 282,-0.0 -0.178 360.0-146.6 -61.6 145.4 32.6 13.6 23.3 3 13 A Y + 0 0 128 383,-0.1 2,-0.4 382,-0.0 -1,-0.1 -0.960 18.9 174.6-116.9 131.5 31.6 12.3 20.0 4 14 A V - 0 0 2 -2,-0.4 381,-2.3 376,-0.1 2,-0.4 -0.966 23.6-140.6-137.3 118.8 28.0 11.4 18.9 5 15 A E - 0 0 105 -2,-0.4 379,-0.2 379,-0.2 3,-0.0 -0.671 34.9-103.6 -80.3 128.5 27.2 10.3 15.4 6 16 A K - 0 0 111 -2,-0.4 2,-0.7 377,-0.3 376,-0.2 -0.157 32.4-120.3 -49.6 137.6 23.9 11.8 14.2 7 17 A V > - 0 0 3 374,-2.7 3,-1.3 373,-0.1 2,-0.3 -0.771 29.0-131.6 -85.9 115.1 21.1 9.2 14.2 8 18 A S T 3 S+ 0 0 80 -2,-0.7 374,-0.0 1,-0.2 -1,-0.0 -0.502 84.6 9.3 -72.5 129.9 19.8 8.9 10.6 9 19 A G T 3 S+ 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 2,-0.2 0.497 82.4 161.0 83.8 4.5 16.1 9.1 10.2 10 20 A L < - 0 0 28 -3,-1.3 -1,-0.3 371,-0.2 285,-0.1 -0.424 38.0-128.4 -62.8 125.2 15.4 10.1 13.8 11 21 A R > - 0 0 71 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.330 13.0-123.5 -69.7 158.4 11.9 11.7 14.1 12 22 A K T 3 S+ 0 0 197 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.800 108.5 48.9 -75.5 -31.4 11.7 15.1 15.8 13 23 A D T 3 S+ 0 0 108 2,-0.1 -1,-0.2 293,-0.0 3,-0.1 0.108 79.2 147.3 -95.5 20.9 9.1 14.0 18.4 14 24 A F < - 0 0 2 -3,-0.8 2,-0.4 1,-0.1 292,-0.2 -0.320 54.8-111.6 -59.5 133.9 11.1 10.9 19.4 15 25 A I E -a 306 0A 18 290,-2.9 292,-2.3 1,-0.1 2,-0.6 -0.557 31.9-173.6 -73.8 123.0 10.7 10.1 23.1 16 26 A K E +a 307 0A 14 -2,-0.4 37,-2.5 290,-0.2 38,-1.0 -0.882 22.9 169.1-118.4 94.7 13.9 10.6 25.1 17 27 A G E -ab 308 54A 0 290,-2.5 292,-3.2 -2,-0.6 2,-0.3 -0.648 26.7-164.0-114.6 168.2 13.2 9.3 28.6 18 28 A V E -ab 309 55A 0 36,-1.5 38,-2.6 290,-0.3 2,-0.7 -0.992 16.4-142.2-143.2 142.2 14.9 8.4 31.8 19 29 A D E +ab 310 56A 0 290,-2.5 292,-1.9 -2,-0.3 294,-0.3 -0.946 27.8 164.6-107.5 111.8 13.6 6.4 34.8 20 30 A V > + 0 0 0 36,-0.8 3,-2.0 -2,-0.7 4,-0.2 -0.271 18.5 142.1-121.5 45.2 14.9 8.1 38.0 21 31 A S T > + 0 0 0 1,-0.3 3,-0.6 35,-0.2 4,-0.4 0.790 67.2 61.3 -56.3 -33.1 12.7 6.3 40.5 22 32 A S T 3> S+ 0 0 1 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.540 77.7 97.1 -74.0 -5.9 15.4 6.1 43.1 23 33 A I H <> S+ 0 0 1 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.858 79.6 48.8 -53.5 -45.2 15.7 9.9 43.2 24 34 A I H <> S+ 0 0 3 -3,-0.6 4,-2.2 -4,-0.2 5,-0.2 0.961 112.4 46.2 -63.7 -51.1 13.6 10.5 46.3 25 35 A A H > S+ 0 0 0 -4,-0.4 4,-0.8 49,-0.3 310,-0.2 0.880 114.4 51.5 -58.3 -35.9 15.2 7.9 48.5 26 36 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.6 0.924 108.1 48.4 -67.8 -46.5 18.6 9.3 47.3 27 37 A E H ><5S+ 0 0 68 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.869 110.4 53.2 -63.2 -33.4 17.8 12.9 48.1 28 38 A E H 3<5S+ 0 0 97 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.740 104.1 57.0 -72.3 -21.0 16.6 11.8 51.6 29 39 A S T <<5S- 0 0 14 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.423 127.5-101.7 -87.2 -0.9 19.9 10.0 52.0 30 40 A G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.482 70.1 150.6 95.4 3.9 21.7 13.3 51.4 31 41 A V < - 0 0 20 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.486 25.3-164.6 -72.1 137.5 22.7 12.8 47.8 32 42 A A - 0 0 23 -2,-0.2 2,-0.3 336,-0.1 10,-0.1 -0.929 6.3-152.0-125.3 148.9 23.0 16.0 45.7 33 43 A F - 0 0 8 -2,-0.3 8,-2.2 8,-0.2 2,-0.2 -0.860 9.7-162.9-119.0 155.0 23.2 16.6 42.0 34 44 A Y B -I 40 0B 72 335,-3.0 6,-0.2 -2,-0.3 2,-0.1 -0.755 12.8-125.0-128.7 174.6 24.7 19.4 39.9 35 45 A N > - 0 0 19 4,-1.1 3,-1.0 -2,-0.2 -1,-0.0 -0.401 47.9 -79.9-107.5-172.6 24.7 21.0 36.5 36 46 A E T 3 S+ 0 0 122 1,-0.3 -2,-0.0 -2,-0.1 379,-0.0 0.931 127.9 56.8 -54.4 -50.8 27.4 21.6 33.9 37 47 A S T 3 S- 0 0 29 1,-0.1 -1,-0.3 2,-0.1 378,-0.0 0.683 116.6-113.3 -57.0 -21.5 28.5 24.8 35.7 38 48 A G S < S+ 0 0 49 -3,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.684 72.6 128.0 95.4 19.2 29.0 22.8 38.9 39 49 A K - 0 0 99 1,-0.1 -4,-1.1 0, 0.0 -1,-0.3 -0.912 69.4 -93.4-113.4 138.0 26.3 24.3 41.1 40 50 A K B +I 34 0B 152 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.112 57.2 164.3 -43.6 136.4 23.7 22.3 43.0 41 51 A Q - 0 0 35 -8,-2.2 -8,-0.2 -6,-0.0 2,-0.1 -0.974 46.6 -88.7-161.4 144.3 20.5 22.0 40.9 42 52 A D >> - 0 0 61 -2,-0.3 4,-1.8 1,-0.2 3,-1.5 -0.342 36.2-136.1 -55.3 125.7 17.3 20.0 40.7 43 53 A I H 3> S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.841 102.9 61.8 -56.0 -34.3 18.1 16.9 38.6 44 54 A F H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.793 104.2 48.0 -63.6 -27.2 14.8 17.3 36.8 45 55 A K H <> S+ 0 0 93 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.907 111.6 49.9 -78.0 -41.9 16.0 20.7 35.5 46 56 A T H X S+ 0 0 7 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.886 110.6 49.7 -62.5 -41.3 19.3 19.2 34.4 47 57 A L H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 3,-0.4 0.932 109.9 52.0 -62.9 -45.2 17.6 16.4 32.6 48 58 A K H ><5S+ 0 0 90 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.917 109.7 47.5 -56.8 -47.1 15.3 18.9 30.9 49 59 A E H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.731 104.6 62.0 -68.5 -22.5 18.2 21.0 29.6 50 60 A A T 3<5S- 0 0 1 -4,-1.2 329,-0.3 -3,-0.4 -1,-0.3 0.480 126.4 -99.0 -81.6 -2.4 20.0 17.8 28.5 51 61 A G T < 5S+ 0 0 24 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.493 72.1 148.5 100.0 3.7 17.1 17.2 26.1 52 62 A V < + 0 0 1 -5,-2.2 -1,-0.3 -6,-0.2 -35,-0.2 -0.497 18.8 177.1 -71.2 140.7 15.1 14.6 28.0 53 63 A N + 0 0 46 -37,-2.5 41,-1.7 1,-0.2 2,-0.3 0.217 58.6 46.8-128.9 14.0 11.4 14.9 27.4 54 64 A Y E -bc 17 94A 17 -38,-1.0 -36,-1.5 39,-0.3 2,-0.4 -0.984 56.1-157.4-159.0 141.8 10.0 12.0 29.5 55 65 A V E -bc 18 95A 0 39,-2.7 41,-2.6 -2,-0.3 2,-0.4 -0.990 9.6-158.5-125.6 130.0 10.3 10.5 32.9 56 66 A R E -bc 19 96A 2 -38,-2.6 -36,-0.8 -2,-0.4 2,-0.4 -0.879 10.3-173.1-106.3 138.4 9.4 6.9 33.8 57 67 A V E - c 0 97A 0 39,-2.5 41,-3.1 -2,-0.4 2,-0.2 -0.995 17.6-136.3-135.7 130.2 8.6 5.9 37.4 58 68 A R E - c 0 98A 1 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.567 19.4-157.6 -81.4 147.0 8.1 2.4 38.9 59 69 A I E - c 0 99A 0 39,-2.7 41,-2.2 -2,-0.2 42,-0.7 -0.965 8.8-170.4-134.4 119.3 5.2 2.0 41.3 60 70 A W - 0 0 0 16,-3.1 18,-0.3 -2,-0.4 43,-0.2 -0.825 25.0-131.9-103.5 143.6 4.8 -0.8 43.9 61 71 A N S S- 0 0 30 41,-1.6 17,-0.3 -2,-0.4 42,-0.2 0.969 91.9 -8.6 -59.6 -57.8 1.5 -1.2 45.7 62 72 A D - 0 0 76 15,-0.1 2,-1.8 16,-0.0 -1,-0.2 -0.606 65.6-179.6-146.4 77.6 2.8 -1.4 49.3 63 73 A P + 0 0 0 0, 0.0 8,-2.7 0, 0.0 9,-0.4 -0.195 57.7 84.1 -74.8 45.7 6.7 -1.7 49.4 64 74 A Y B S-J 70 0C 43 -2,-1.8 6,-0.2 6,-0.3 2,-0.1 -0.954 74.3-117.6-143.4 159.9 6.8 -1.9 53.2 65 75 A D > - 0 0 16 4,-1.5 3,-1.9 -2,-0.3 277,-0.1 -0.277 52.6 -79.3 -87.9-177.3 6.5 -4.5 55.9 66 76 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.825 131.1 49.5 -52.0 -37.1 3.8 -4.5 58.6 67 77 A N T 3 S- 0 0 140 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.497 122.1-100.9 -84.7 -3.7 5.6 -1.8 60.7 68 78 A G < + 0 0 49 -3,-1.9 2,-0.7 1,-0.3 -2,-0.1 0.643 68.3 152.1 94.8 15.6 6.2 0.6 57.8 69 79 A N - 0 0 55 272,-0.1 -4,-1.5 1,-0.1 -1,-0.3 -0.731 47.1-117.9 -85.0 117.4 9.8 -0.3 57.1 70 80 A G B -J 64 0C 12 -2,-0.7 271,-0.3 262,-0.2 -6,-0.3 -0.147 4.4-140.6 -55.9 142.8 10.6 0.3 53.4 71 81 A Y - 0 0 0 -8,-2.7 268,-2.5 1,-0.3 271,-0.3 0.593 44.2-136.1 -76.9 -13.0 11.7 -2.6 51.2 72 82 A G S > S+ 0 0 0 -9,-0.4 3,-2.5 266,-0.3 4,-0.4 -0.603 71.0 118.7 91.7-152.7 14.2 -0.3 49.6 73 83 A G T 3 S- 0 0 0 263,-1.6 3,-0.2 1,-0.3 264,-0.2 0.726 121.1 -48.9 59.3 18.8 14.8 -0.1 45.8 74 84 A G T 3 S- 0 0 0 260,-2.1 -49,-0.3 262,-0.5 -1,-0.3 0.300 75.6-108.1 102.3 -5.7 13.7 3.5 46.2 75 85 A N < - 0 0 12 -3,-2.5 2,-1.0 1,-0.2 5,-0.2 0.896 50.8-168.4 46.7 46.6 10.5 2.6 48.2 76 86 A N + 0 0 1 -4,-0.4 -16,-3.1 -3,-0.2 -1,-0.2 -0.537 21.4 148.1 -74.6 99.3 8.6 3.6 45.1 77 87 A D > - 0 0 21 -2,-1.0 4,-1.9 -18,-0.2 3,-0.2 -0.497 66.1 -84.2-114.8-174.2 4.9 3.8 46.0 78 88 A L H > S+ 0 0 40 -18,-0.3 4,-1.9 -17,-0.3 5,-0.2 0.862 125.6 61.3 -62.3 -34.7 2.1 6.0 44.5 79 89 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 109.1 39.4 -59.4 -45.9 3.2 8.8 46.9 80 90 A K H > S+ 0 0 12 -5,-0.2 4,-2.8 2,-0.2 5,-0.3 0.838 109.5 61.3 -74.5 -31.4 6.7 9.1 45.5 81 91 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.881 106.0 47.8 -61.7 -35.4 5.3 8.6 42.0 82 92 A I H X S+ 0 0 35 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.919 109.6 51.8 -71.5 -41.8 3.3 11.8 42.5 83 93 A Q H X S+ 0 0 71 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.941 115.5 42.0 -57.1 -49.1 6.4 13.7 43.8 84 94 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.909 112.9 53.4 -64.8 -44.8 8.4 12.6 40.8 85 95 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.3 61,-0.3 0.911 107.4 50.8 -58.0 -45.1 5.5 13.3 38.4 86 96 A K H X S+ 0 0 111 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 113.0 45.5 -61.8 -38.8 5.0 16.8 39.7 87 97 A R H X S+ 0 0 49 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.842 112.9 50.5 -74.3 -32.4 8.7 17.6 39.2 88 98 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.8 0.957 114.8 43.9 -67.4 -48.8 8.7 16.0 35.8 89 99 A T H ><5S+ 0 0 43 -4,-3.2 3,-1.9 1,-0.3 -2,-0.2 0.891 109.0 57.3 -61.5 -41.0 5.7 18.1 34.8 90 100 A A H 3<5S+ 0 0 80 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.6 46.7 -63.7 -20.9 7.2 21.2 36.4 91 101 A N T <<5S- 0 0 35 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.050 123.3-103.3-109.8 24.5 10.2 20.7 34.1 92 102 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.846 77.2 130.4 60.1 41.7 8.1 20.1 31.0 93 103 A M < - 0 0 1 -5,-2.2 -39,-0.3 -8,-0.2 53,-0.2 -0.986 54.3-124.9-127.9 135.4 8.5 16.4 30.7 94 104 A K E -c 54 0A 91 -41,-1.7 -39,-2.7 -2,-0.4 2,-0.4 -0.304 28.7-122.9 -70.3 160.2 5.7 13.8 30.2 95 105 A L E -cd 55 147A 0 51,-1.9 54,-1.9 -41,-0.2 53,-1.7 -0.858 13.8-159.9-113.1 144.9 5.4 11.0 32.7 96 106 A L E -cd 56 149A 0 -41,-2.6 -39,-2.5 -2,-0.4 2,-0.6 -0.958 16.2-153.5-118.7 105.4 5.4 7.2 32.2 97 107 A A E -cd 57 150A 0 52,-2.2 54,-3.4 -2,-0.6 2,-0.8 -0.741 7.4-161.4 -83.8 119.2 3.7 5.5 35.2 98 108 A D E -cd 58 151A 0 -41,-3.1 -39,-2.7 -2,-0.6 2,-0.6 -0.827 2.3-164.6-107.1 96.3 5.1 2.0 35.5 99 109 A F E -cd 59 152A 0 52,-1.8 54,-1.5 -2,-0.8 -39,-0.2 -0.689 11.1-176.4 -81.0 115.1 2.8 -0.2 37.6 100 110 A H - 0 0 3 -41,-2.2 61,-0.4 -2,-0.6 54,-0.4 0.747 27.4-144.1 -80.1 -23.1 4.6 -3.4 38.8 101 111 A Y S S+ 0 0 0 -42,-0.7 60,-0.3 1,-0.3 2,-0.3 0.954 70.1 89.2 55.1 51.5 1.4 -4.6 40.4 102 112 A S S S- 0 0 1 -43,-0.3 -41,-1.6 11,-0.2 -1,-0.3 -0.934 88.8-115.2-164.3 160.1 3.5 -6.1 43.2 103 113 A D S S+ 0 0 0 9,-0.3 2,-0.3 -2,-0.3 -32,-0.2 0.588 97.8 11.2 -83.2 -7.8 4.9 -4.8 46.5 104 114 A F S S- 0 0 3 8,-0.3 8,-0.1 1,-0.1 -43,-0.1 -0.885 111.2 -18.9-153.1-176.9 8.4 -5.1 45.1 105 115 A W - 0 0 34 -2,-0.3 2,-0.5 1,-0.1 7,-0.3 0.112 52.2-160.5 -34.2 127.6 10.6 -5.7 42.0 106 116 A A + 0 0 2 5,-0.1 5,-0.2 -4,-0.1 -1,-0.1 -0.974 31.1 129.6-117.2 121.8 8.7 -7.4 39.1 107 117 A D S S- 0 0 41 3,-2.7 51,-0.2 -2,-0.5 47,-0.1 -0.802 73.3 -58.6-151.6-167.1 10.7 -9.1 36.4 108 118 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.862 136.9 30.7 -53.1 -35.2 11.0 -12.4 34.5 109 119 A A S S+ 0 0 94 1,-0.2 2,-0.6 48,-0.0 -3,-0.0 0.752 118.5 56.5 -94.1 -27.7 11.5 -14.3 37.8 110 120 A K + 0 0 33 1,-0.1 -3,-2.7 49,-0.1 -1,-0.2 -0.921 43.0 139.5-118.1 116.9 9.4 -12.1 40.2 111 121 A Q + 0 0 22 -2,-0.6 51,-2.2 -5,-0.2 2,-0.3 -0.490 30.2 170.8-145.1 60.5 5.8 -11.3 39.7 112 122 A K - 0 0 103 -7,-0.3 -9,-0.3 49,-0.2 -8,-0.3 -0.600 35.9-113.2 -82.6 136.9 4.4 -11.6 43.2 113 123 A A - 0 0 14 -2,-0.3 -10,-0.2 48,-0.2 -11,-0.2 -0.311 42.2 -94.9 -64.5 146.9 0.9 -10.5 44.1 114 124 A P >> - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.303 36.1-112.0 -59.9 151.5 0.7 -7.5 46.4 115 125 A K G >4 S+ 0 0 65 1,-0.3 3,-1.3 -53,-0.2 4,-0.4 0.894 118.8 58.1 -51.8 -40.5 0.3 -8.5 50.0 116 126 A A G 34 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.658 109.2 43.2 -65.6 -17.9 -3.2 -7.1 50.0 117 127 A W G X4 S+ 0 0 20 -3,-2.0 3,-1.5 1,-0.1 -1,-0.3 0.334 82.1 103.3-109.4 4.6 -4.2 -9.3 47.1 118 128 A A T << S+ 0 0 65 -3,-1.3 -2,-0.1 -4,-0.6 -1,-0.1 0.874 87.3 38.5 -54.8 -41.7 -2.6 -12.5 48.4 119 129 A N T 3 S+ 0 0 162 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.3 -0.057 92.5 111.0-104.4 34.3 -5.9 -14.0 49.5 120 130 A L < - 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0 0 2 -2,-1.5 52,-0.1 1,-0.1 -284,-0.1 -0.300 42.1 -76.4 -80.7 164.9 25.5 43.6 32.3 703 326 B P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -52,-0.1 -0.204 19.8-147.1 -62.0 146.6 27.4 43.1 35.7 704 327 B V S S- 0 0 26 1,-0.3 -53,-0.1 -53,-0.1 -2,-0.0 0.587 86.7 -10.0 -85.0 -12.0 27.6 39.7 37.3 705 328 B G S S- 0 0 13 -55,-0.1 -1,-0.3 -287,-0.0 -287,-0.0 -0.973 92.4 -61.7-173.4 167.5 27.5 41.6 40.6 706 329 B P > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 7,-0.2 -0.196 46.4-113.7 -62.0 151.3 27.7 45.2 42.2 707 330 B A G > S+ 0 0 41 -57,-0.4 3,-0.9 1,-0.3 -56,-0.1 0.830 116.1 58.0 -55.2 -37.2 30.8 47.4 41.8 708 331 B H G 3 S+ 0 0 166 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.683 97.7 62.9 -69.9 -14.7 31.5 47.2 45.5 709 332 B R G <> + 0 0 112 -3,-1.8 4,-2.6 1,-0.2 3,-0.3 -0.182 66.3 138.3-100.7 39.8 31.7 43.4 45.2 710 333 B L H <> + 0 0 56 -3,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.913 68.1 47.8 -49.2 -56.0 34.7 43.6 42.9 711 334 B E H > S+ 0 0 133 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.840 112.8 49.2 -59.5 -34.6 36.7 40.8 44.3 712 335 B K H >> S+ 0 0 121 -3,-0.3 4,-1.1 1,-0.2 3,-0.6 0.913 109.5 53.6 -68.8 -41.9 33.7 38.5 44.3 713 336 B N H >X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.884 100.0 59.7 -59.3 -43.4 33.0 39.5 40.7 714 337 B K H 3X S+ 0 0 92 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.833 99.3 59.4 -55.7 -33.4 36.6 38.6 39.6 715 338 B A H - 0 0 2 -268,-2.7 3,-1.8 -2,-0.3 4,-0.2 -0.717 35.2-109.9-109.9 163.6 40.4 36.3 31.9 727 350 B S G > S+ 0 0 42 1,-0.3 3,-2.0 -2,-0.3 4,-0.2 0.790 113.5 74.9 -62.2 -24.9 44.0 36.1 33.1 728 351 B Y G 3 S+ 0 0 88 -271,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.593 83.2 66.7 -63.8 -10.7 44.2 32.8 31.2 729 352 B A G X> S+ 0 0 0 -3,-1.8 4,-2.9 -271,-0.3 3,-0.8 0.551 71.6 93.9 -87.9 -7.6 44.4 34.8 28.0 730 353 B A T <4 S+ 0 0 38 -3,-2.0 -1,-0.2 1,-0.3 8,-0.2 0.791 79.0 59.3 -54.3 -31.4 47.8 36.3 28.9 731 354 B E T 34 S+ 0 0 107 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.897 114.9 34.0 -65.8 -40.1 49.5 33.5 26.9 732 355 B Y T <4 S+ 0 0 12 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.856 137.8 17.6 -83.6 -40.1 47.7 34.5 23.7 733 356 B D <> + 0 0 18 -4,-2.9 5,-2.6 1,-0.1 -1,-0.2 -0.659 65.4 158.5-136.6 78.9 47.6 38.3 24.2 734 357 B P T 5S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.813 73.1 59.6 -69.6 -32.1 50.1 39.4 26.9 735 358 B E T 5S+ 0 0 142 3,-0.1 -5,-0.1 2,-0.1 -2,-0.1 0.856 125.2 5.4 -67.2 -39.1 50.2 43.0 25.7 736 359 B D T >>5S+ 0 0 61 -3,-0.1 4,-1.5 3,-0.1 3,-1.3 0.774 138.0 30.8-110.7 -73.6 46.5 43.8 26.1 737 360 B A H 3>5S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -7,-0.2 0.860 110.5 72.0 -57.4 -35.4 44.3 41.2 27.7 738 361 B G H 34 + 0 0 11 -45,-0.3 3,-2.4 -91,-0.2 -45,-0.3 0.160 64.2 119.6-133.5 21.0 30.2 48.1 28.4 747 370 B D G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 5,-0.2 0.812 79.7 57.6 -58.3 -26.3 27.7 47.4 31.1 748 371 B N G 3 S+ 0 0 0 1,-0.2 -103,-2.5 -91,-0.2 -102,-0.9 0.362 101.2 56.3 -86.7 5.9 26.6 51.0 30.9 749 372 B Q G < S+ 0 0 3 -3,-2.4 -106,-0.4 -105,-0.3 -1,-0.2 0.139 83.1 115.3-118.1 16.7 25.8 50.7 27.2 750 373 B A < - 0 0 0 -3,-0.9 -50,-0.2 2,-0.2 -105,-0.1 -0.313 68.9-134.2 -80.5 166.1 23.4 47.9 27.6 751 374 B L S S+ 0 0 1 -52,-3.4 8,-2.9 2,-0.1 11,-0.3 0.219 92.4 64.8-104.0 11.7 19.7 48.2 26.8 752 375 B F B S-Z 758 0L 0 -53,-0.4 -2,-0.2 6,-0.3 -51,-0.1 -0.900 90.9-111.6-126.6 153.8 18.9 46.5 30.1 753 376 B D > - 0 0 28 4,-3.2 3,-2.1 -2,-0.3 -2,-0.1 -0.225 45.3 -85.2 -80.0 179.0 19.7 47.9 33.5 754 377 B F T 3 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.1 -6,-0.0 0.650 129.2 52.2 -59.3 -14.0 22.3 46.5 35.9 755 378 B K T 3 S- 0 0 133 2,-0.1 -1,-0.3 -337,-0.1 -336,-0.1 0.274 122.4 -98.0-106.5 8.8 19.7 44.0 37.2 756 379 B G S < S+ 0 0 0 -3,-2.1 -335,-3.0 1,-0.3 -2,-0.1 0.613 77.3 138.0 87.3 10.9 18.5 42.6 33.9 757 380 B R - 0 0 138 -337,-0.2 -4,-3.2 1,-0.1 -1,-0.3 -0.757 60.3-109.9 -90.5 135.8 15.4 44.7 33.5 758 381 B P B -Z 752 0L 18 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.438 29.9-134.6 -67.2 132.1 14.8 46.1 30.0 759 382 B L > - 0 0 15 -8,-2.9 3,-1.8 -2,-0.2 4,-0.3 -0.443 22.9-111.5 -79.7 158.5 15.4 49.8 29.7 760 383 B P G > S+ 0 0 53 0, 0.0 3,-2.0 0, 0.0 -371,-0.1 0.803 114.5 70.6 -61.9 -25.0 12.8 51.9 27.8 761 384 B S G > S+ 0 0 1 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.707 77.4 78.4 -64.2 -18.3 15.5 52.5 25.1 762 385 B L G X S+ 0 0 4 -3,-1.8 3,-0.9 -11,-0.3 -1,-0.3 0.805 82.8 69.3 -59.9 -23.8 15.0 48.9 24.1 763 386 B H G X> S+ 0 0 42 -3,-2.0 4,-2.4 -4,-0.3 3,-0.7 0.497 70.9 90.7 -70.8 -6.6 11.9 50.2 22.4 764 387 B V H <> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.863 77.9 61.9 -62.1 -34.7 13.9 52.1 19.8 765 388 B F H <4 S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.3 4,-0.2 0.861 112.9 35.7 -58.7 -37.2 13.9 49.1 17.4 766 389 B Q H X> S+ 0 0 97 -3,-0.7 3,-1.0 -329,-0.4 4,-0.6 0.864 115.2 54.8 -83.8 -40.2 10.1 49.2 17.2 767 390 B Y H 3X S+ 0 0 30 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.683 88.7 74.6 -70.8 -20.4 9.6 53.0 17.3 768 391 B V H 3< S+ 0 0 0 -4,-1.8 -374,-2.8 1,-0.2 -1,-0.2 0.801 96.4 52.9 -63.8 -25.6 11.9 53.9 14.4 769 392 B D H <4 S+ 0 0 63 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.883 131.7 7.8 -74.5 -41.1 9.2 52.6 12.1 770 393 B T H < S- 0 0 94 -4,-0.6 -377,-0.3 1,-0.1 -2,-0.2 0.707 97.7-123.0-113.4 -31.7 6.4 54.7 13.5 771 394 B G < - 0 0 8 -4,-3.0 -379,-0.2 -379,-0.2 -1,-0.1 -0.273 63.8 -24.0 99.9 166.2 7.8 57.2 15.9 772 395 B T S S- 0 0 45 -381,-2.2 -382,-0.1 -2,-0.1 -379,-0.1 -0.213 75.4-120.7 -54.9 132.4 6.7 57.4 19.6 773 396 B P 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.221 360.0 360.0 -69.6 157.2 3.1 56.0 20.2 774 397 B F 0 0 259 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.802 360.0 360.0-111.1 360.0 0.1 57.9 21.6