==== 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 HYDROLASE 09-MAY-07 2PUZ . COMPND 2 MOLECULE: IMIDAZOLONEPROPIONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SG . 808 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 8.4 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 . 4 0.5 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 . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.5 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 4 10 2 1 5 0 2 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 6 4 2 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 . 2 2 0 4 0 2 2 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 2 2 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 17 A A 0 0 91 0, 0.0 31,-2.8 0, 0.0 32,-0.3 0.000 360.0 360.0 360.0 134.8 41.3 -12.2 45.5 2 18 A T E +A 31 0A 36 29,-0.2 51,-0.7 30,-0.1 2,-0.3 -0.829 360.0 170.6-124.3 162.7 43.1 -11.9 42.1 3 19 A A E -Ab 30 53A 10 27,-1.6 27,-3.0 -2,-0.3 2,-0.4 -0.947 16.7-145.1-167.6 148.1 42.1 -11.4 38.5 4 20 A L E -Ab 29 54A 3 49,-1.9 51,-2.5 -2,-0.3 2,-0.5 -0.945 2.4-159.6-124.7 143.6 43.8 -10.8 35.1 5 21 A W E +Ab 28 55A 11 23,-2.1 23,-1.9 -2,-0.4 2,-0.2 -0.947 27.2 179.9-121.2 105.6 42.8 -8.8 32.1 6 22 A R E + b 0 56A 74 49,-2.9 51,-2.9 -2,-0.5 53,-0.3 -0.562 46.9 33.9-105.6 170.0 44.7 -9.9 29.0 7 23 A N E S+ 0 0 62 19,-0.3 52,-2.4 49,-0.2 53,-0.4 0.964 85.4 123.1 51.7 66.2 44.9 -9.1 25.3 8 24 A A E -A 26 0A 1 18,-1.4 18,-3.6 51,-0.2 2,-0.4 -0.943 60.3-124.0-147.3 166.2 44.3 -5.3 25.6 9 25 A Q E - c 0 61A 46 51,-1.9 53,-2.4 -2,-0.3 2,-0.4 -0.942 33.4-149.3-111.4 134.9 45.8 -2.0 24.7 10 26 A L E -Ac 23 62A 0 13,-2.7 13,-2.8 -2,-0.4 2,-0.6 -0.874 22.5-164.3-113.9 143.8 46.3 0.3 27.6 11 27 A A E +A 22 0A 1 51,-2.3 11,-0.2 -2,-0.4 10,-0.2 -0.902 22.2 173.8-116.6 89.2 46.2 4.1 28.0 12 28 A T - 0 0 1 9,-2.3 353,-1.7 -2,-0.6 9,-0.2 0.771 25.1-151.0 -72.5 -27.3 47.9 4.2 31.4 13 29 A L + 0 0 4 7,-2.8 8,-0.2 1,-0.2 -1,-0.1 0.770 29.9 171.6 57.4 25.8 48.2 8.0 31.6 14 30 A N > - 0 0 33 6,-0.2 3,-2.4 7,-0.2 -1,-0.2 -0.550 33.1-141.5 -65.5 119.1 51.2 7.3 33.7 15 31 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.722 99.1 65.2 -59.1 -19.9 52.7 10.8 34.0 16 32 A A T 3 S+ 0 0 91 2,-0.1 2,-0.2 5,-0.0 -2,-0.1 0.566 96.9 72.6 -78.8 -6.9 56.2 9.3 33.7 17 33 A M S < S- 0 0 74 -3,-2.4 2,-0.1 2,-0.1 0, 0.0 -0.710 90.3-101.4-107.5 159.5 55.3 8.3 30.1 18 34 A D S > S- 0 0 158 -2,-0.2 3,-2.3 2,-0.1 4,-0.3 -0.353 84.9 -14.0 -73.9 158.4 54.9 10.4 27.0 19 35 A G T 3 S- 0 0 32 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.220 132.0 -24.0 53.0-129.6 51.4 11.2 25.7 20 36 A I T 3 S- 0 0 28 -7,-0.1 -7,-2.8 -8,-0.0 -1,-0.3 0.123 91.9-107.1-101.4 19.2 48.7 9.2 27.4 21 37 A G < - 0 0 2 -3,-2.3 -9,-2.3 -9,-0.2 -7,-0.2 0.918 48.9-167.9 57.2 50.4 51.1 6.4 28.2 22 38 A A E -A 11 0A 60 -4,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.446 7.9-169.1 -72.8 140.5 49.8 3.9 25.7 23 39 A V E -A 10 0A 20 -13,-2.8 -13,-2.7 -2,-0.1 3,-0.3 -0.972 10.6-144.8-135.7 119.5 50.9 0.3 25.9 24 40 A E E S+ 0 0 108 -2,-0.4 17,-0.2 1,-0.2 -15,-0.2 -0.478 79.6 9.1 -81.1 152.2 50.3 -2.4 23.2 25 41 A N E S+ 0 0 96 -2,-0.1 16,-2.3 15,-0.1 17,-0.4 0.941 95.3 161.3 40.1 70.2 49.5 -6.0 24.0 26 42 A A E -AD 8 40A 0 -18,-3.6 -18,-1.4 -3,-0.3 2,-0.3 -0.585 30.9-153.9-114.0 175.7 49.1 -5.3 27.7 27 43 A V E - D 0 39A 1 12,-2.2 12,-1.8 -2,-0.2 2,-0.5 -0.969 9.3-141.7-146.5 154.5 47.6 -7.0 30.7 28 44 A I E -AD 5 38A 1 -23,-1.9 -23,-2.1 -2,-0.3 2,-0.6 -0.992 11.7-158.3-124.2 124.1 46.2 -5.7 34.0 29 45 A A E -AD 4 37A 4 8,-3.3 7,-3.2 -2,-0.5 8,-1.5 -0.911 10.8-164.2-103.5 122.2 46.9 -7.7 37.2 30 46 A V E +AD 3 35A 8 -27,-3.0 -27,-1.6 -2,-0.6 2,-0.4 -0.917 11.5 176.5-112.3 134.3 44.4 -7.0 40.0 31 47 A R E > S-AD 2 34A 131 3,-2.6 3,-1.6 -2,-0.4 -29,-0.2 -0.979 72.8 -17.3-136.0 120.1 45.0 -8.0 43.6 32 48 A N T 3 S- 0 0 90 -31,-2.8 -30,-0.1 -2,-0.4 -1,-0.1 0.918 127.4 -51.6 52.3 50.0 42.5 -7.1 46.4 33 49 A G T 3 S+ 0 0 19 -32,-0.3 338,-2.5 1,-0.2 2,-0.3 0.605 120.4 110.8 65.5 11.5 40.8 -4.4 44.3 34 50 A R E < S-DE 31 370A 79 -3,-1.6 -3,-2.6 336,-0.3 2,-0.7 -0.808 77.1-108.5-117.1 156.9 44.3 -2.9 43.6 35 51 A I E +D 30 0A 2 334,-2.8 333,-3.1 -2,-0.3 -5,-0.2 -0.748 35.8 171.2 -85.2 114.2 46.4 -2.7 40.5 36 52 A A E S+ 0 0 37 -7,-3.2 2,-0.3 -2,-0.7 -1,-0.2 0.841 70.7 3.8 -88.5 -40.3 49.4 -5.1 41.0 37 53 A F E +D 29 0A 36 -8,-1.5 -8,-3.3 329,-0.1 -1,-0.4 -0.997 55.9 175.8-149.4 143.1 50.6 -4.7 37.4 38 54 A A E +D 28 0A 23 -2,-0.3 -10,-0.2 -10,-0.2 329,-0.2 -0.878 48.6 56.3-148.7 109.5 49.7 -2.7 34.3 39 55 A G E S+D 27 0A 3 -12,-1.8 -12,-2.2 -2,-0.3 5,-0.1 -0.991 84.8 5.8 164.9-160.4 51.8 -3.0 31.1 40 56 A P E > -D 26 0A 46 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.201 58.2-133.2 -50.9 134.3 53.3 -5.3 28.5 41 57 A E T 3 S+ 0 0 53 -16,-2.3 3,-0.5 1,-0.3 -15,-0.1 0.739 107.6 58.5 -64.4 -19.9 52.0 -8.8 28.9 42 58 A S T 3 S+ 0 0 106 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.765 100.8 54.4 -79.8 -25.7 55.6 -10.0 28.5 43 59 A D S < S+ 0 0 107 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.442 79.4 125.4 -85.7 -1.7 56.8 -7.9 31.5 44 60 A L - 0 0 14 -3,-0.5 2,-0.1 -4,-0.4 5,-0.1 -0.428 67.5-117.1 -62.0 124.8 54.1 -9.6 33.7 45 61 A P >> - 0 0 45 0, 0.0 3,-2.9 0, 0.0 4,-0.8 -0.405 14.9-125.4 -65.8 135.9 55.8 -11.1 36.8 46 62 A D G >4 S+ 0 0 139 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.840 110.4 63.8 -49.4 -40.7 55.6 -14.9 37.1 47 63 A D G 34 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.498 112.3 37.4 -65.1 -0.8 54.1 -14.5 40.6 48 64 A L G <4 S+ 0 0 31 -3,-2.9 -1,-0.3 3,-0.0 -2,-0.2 0.379 84.0 103.0-125.5 -6.8 51.2 -12.8 38.8 49 65 A S S << S+ 0 0 54 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.1 0.705 88.2 43.4 -50.9 -21.0 51.2 -15.0 35.7 50 66 A T + 0 0 109 -4,-0.4 2,-0.3 -47,-0.0 -47,-0.1 -0.885 62.3 157.6-129.0 161.0 48.2 -16.6 37.4 51 67 A A - 0 0 19 -2,-0.3 -48,-0.1 -49,-0.1 -47,-0.1 -0.957 53.7 -92.9-165.5 172.3 45.0 -15.5 39.2 52 68 A D S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.1 -49,-0.2 0.911 108.7 26.5 -65.4 -40.5 41.5 -16.8 40.1 53 69 A E E -b 3 0A 123 -51,-0.7 -49,-1.9 -3,-0.1 2,-0.3 -0.865 63.0-168.3-123.4 158.3 40.0 -15.2 37.0 54 70 A T E -b 4 0A 83 -2,-0.3 2,-0.4 -51,-0.2 -49,-0.2 -0.986 4.8-163.9-146.4 131.6 41.2 -14.2 33.6 55 71 A T E -b 5 0A 44 -51,-2.5 -49,-2.9 -2,-0.3 2,-0.7 -0.976 13.2-147.1-122.8 128.3 39.5 -12.1 31.0 56 72 A D E -b 6 0A 107 -2,-0.4 -49,-0.2 -51,-0.2 -48,-0.1 -0.845 10.3-160.9 -90.2 116.6 40.4 -11.8 27.3 57 73 A C > - 0 0 1 -51,-2.9 3,-1.8 -2,-0.7 -50,-0.1 0.403 30.4-125.5 -82.4 4.7 39.6 -8.2 26.4 58 74 A G T 3 - 0 0 47 1,-0.3 -50,-0.1 -52,-0.2 -51,-0.1 0.802 66.0 -60.0 58.1 30.9 39.5 -9.1 22.7 59 75 A G T 3 S+ 0 0 26 -52,-2.4 -1,-0.3 -53,-0.3 -51,-0.2 0.525 95.4 150.5 77.9 4.8 42.0 -6.4 21.9 60 76 A R < - 0 0 65 -3,-1.8 -51,-1.9 -53,-0.4 2,-0.3 -0.173 48.7-103.0 -67.8 162.6 39.8 -3.6 23.2 61 77 A W E -cF 9 376A 20 315,-1.2 315,-3.2 317,-0.3 2,-0.4 -0.635 29.7-158.3 -88.8 147.2 41.3 -0.4 24.7 62 78 A I E +cF 10 375A 0 -53,-2.4 -51,-2.3 -2,-0.3 313,-0.2 -0.987 13.6 172.3-126.8 136.1 41.4 0.2 28.4 63 79 A T E - F 0 374A 4 311,-2.3 311,-2.8 -2,-0.4 -51,-0.1 -0.880 46.0 -85.1-132.8 162.6 41.7 3.6 30.1 64 80 A P E - F 0 373A 0 0, 0.0 309,-0.3 0, 0.0 3,-0.1 -0.409 65.0 -85.5 -65.9 155.1 41.5 4.5 33.7 65 81 A A - 0 0 1 307,-2.0 68,-0.2 332,-0.2 2,-0.1 -0.248 54.3-101.9 -56.8 151.2 37.9 5.0 34.7 66 82 A L E -i 133 0B 2 66,-1.5 68,-2.4 65,-0.1 69,-1.1 -0.408 32.1-150.0 -77.3 155.7 36.6 8.5 34.0 67 83 A I E -i 135 0B 1 281,-2.5 2,-0.8 66,-0.2 69,-0.2 -0.994 9.5-159.1-131.1 128.3 36.3 11.2 36.7 68 84 A D E -i 136 0B 0 67,-2.3 69,-2.4 -2,-0.4 245,-0.1 -0.895 14.6-179.9-106.9 99.8 33.8 14.0 36.9 69 85 A C + 0 0 1 -2,-0.8 2,-0.2 243,-0.4 -1,-0.1 0.317 64.6 46.7 -85.4 7.3 35.5 16.5 39.3 70 86 A H + 0 0 0 67,-0.1 245,-2.0 242,-0.1 246,-0.4 -0.720 68.6 134.8-154.4 99.2 32.8 19.2 39.3 71 87 A T - 0 0 0 66,-0.3 68,-1.7 244,-0.2 246,-0.2 -0.972 42.9-159.6-144.2 159.6 29.1 18.6 39.6 72 88 A H + 0 0 3 244,-2.9 66,-0.1 -2,-0.3 -1,-0.0 -0.377 42.4 150.9-126.2 43.1 25.9 19.8 41.3 73 89 A L + 0 0 0 64,-0.3 2,-0.6 244,-0.1 51,-0.1 0.718 49.7 76.8 -52.0 -27.3 24.3 16.4 40.6 74 90 A V + 0 0 0 65,-0.4 2,-0.3 -3,-0.1 44,-0.1 -0.800 62.1 115.4 -94.8 122.8 22.1 16.7 43.7 75 91 A F - 0 0 9 -2,-0.6 2,-0.3 42,-0.3 31,-0.1 -0.927 57.1-108.2-175.9 153.4 19.1 19.0 43.4 76 92 A G S S- 0 0 0 29,-0.5 33,-0.3 -2,-0.3 32,-0.2 -0.664 76.2 -13.0 -92.5 150.3 15.3 18.9 43.5 77 93 A G S S- 0 0 21 -2,-0.3 2,-0.3 31,-0.2 28,-0.1 -0.110 77.8 -97.5 64.1-158.2 13.2 19.6 40.4 78 94 A N - 0 0 34 26,-0.1 3,-0.2 241,-0.0 241,-0.1 -0.925 10.2-125.4-152.5 174.2 14.5 20.9 37.1 79 95 A R > + 0 0 22 239,-0.4 4,-1.1 -2,-0.3 22,-0.1 -0.143 65.3 120.7-121.5 38.2 14.7 24.2 35.2 80 96 A A H > + 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 68.6 63.2 -69.2 -35.3 13.0 23.3 31.9 81 97 A M H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.948 105.6 40.9 -55.1 -57.2 10.3 25.9 32.3 82 98 A E H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.807 110.9 60.3 -64.5 -28.0 12.6 29.0 32.2 83 99 A F H X S+ 0 0 35 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.961 109.6 41.2 -61.6 -50.7 14.5 27.3 29.4 84 100 A E H X S+ 0 0 64 -4,-2.4 4,-1.1 1,-0.2 662,-0.3 0.904 114.5 53.9 -63.2 -42.0 11.4 27.3 27.3 85 101 A M H <>S+ 0 0 43 -4,-2.6 5,-2.4 -5,-0.2 3,-0.5 0.901 105.6 51.5 -60.2 -45.2 10.4 30.8 28.4 86 102 A R H ><5S+ 0 0 120 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.933 107.3 52.1 -59.2 -48.2 13.8 32.3 27.4 87 103 A L H 3<5S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 106.0 56.9 -60.4 -24.7 13.6 30.9 23.9 88 104 A N T 3<5S- 0 0 98 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.414 127.0 -98.9 -86.6 2.4 10.1 32.4 23.6 89 105 A G T < 5 + 0 0 57 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.679 65.9 162.2 90.4 19.1 11.5 35.9 24.4 90 106 A A < - 0 0 24 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.499 33.0-129.0 -73.1 139.6 10.5 36.0 28.1 91 107 A T > - 0 0 73 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.399 22.7-106.3 -85.1 166.6 12.4 38.6 30.2 92 108 A Y H > S+ 0 0 186 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.895 122.5 51.9 -56.6 -41.8 14.2 38.0 33.4 93 109 A E H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 110.8 47.0 -63.5 -40.8 11.4 39.7 35.3 94 110 A E H > S+ 0 0 97 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.850 110.5 51.8 -70.1 -36.4 8.7 37.5 33.6 95 111 A I H <>S+ 0 0 3 -4,-2.4 5,-3.2 1,-0.2 3,-0.2 0.909 109.1 52.1 -67.2 -38.6 10.7 34.3 34.3 96 112 A A H ><5S+ 0 0 47 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.905 105.6 52.2 -64.9 -43.0 11.0 35.3 38.0 97 113 A K H 3<5S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.5 54.6 -64.6 -24.3 7.2 35.8 38.3 98 114 A A T 3<5S- 0 0 50 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.480 129.3 -99.8 -85.6 -1.9 6.8 32.3 36.9 99 115 A G T < 5S+ 0 0 20 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.513 75.2 144.8 97.0 8.5 9.1 31.0 39.6 100 116 A G < + 0 0 5 -5,-3.2 3,-0.3 -6,-0.2 -1,-0.2 -0.112 23.8 64.5 -75.2 173.4 12.3 30.8 37.5 101 117 A G S >> S- 0 0 10 1,-0.2 3,-2.6 2,-0.1 4,-0.6 -0.290 104.1 -54.0 101.5 170.0 15.9 31.5 38.5 102 118 A I H >> S+ 0 0 67 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.790 127.9 73.6 -54.2 -26.6 18.2 29.7 40.9 103 119 A V H 3> S+ 0 0 53 -3,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.786 87.5 62.2 -58.7 -27.0 15.5 30.2 43.5 104 120 A S H <> S+ 0 0 23 -3,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.904 106.2 43.4 -66.4 -41.0 13.6 27.5 41.8 105 121 A S H - 0 0 55 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.199 32.4-100.7 -70.9 166.4 13.2 14.8 51.6 114 130 A D H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.928 123.1 50.2 -52.4 -50.3 16.6 13.0 51.7 115 131 A E H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 109.9 48.3 -55.5 -49.1 15.1 9.9 50.0 116 132 A V H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 110.7 51.1 -65.3 -33.4 13.4 11.8 47.2 117 133 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -42,-0.3 0.899 109.5 51.2 -70.3 -38.4 16.6 13.8 46.5 118 134 A V H >X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.2 3,-0.6 0.958 111.7 47.8 -60.2 -48.4 18.5 10.5 46.4 119 135 A A H 3< S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 110.0 50.6 -60.8 -41.3 15.9 9.2 43.9 120 136 A Q H 3< S+ 0 0 64 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.721 112.5 49.1 -70.6 -20.5 16.0 12.2 41.7 121 137 A A H XX S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.6 3,-0.7 0.792 91.2 77.9 -87.9 -30.9 19.8 12.0 41.5 122 138 A L H 3X S+ 0 0 32 -4,-1.8 4,-3.4 1,-0.2 5,-0.2 0.852 91.1 52.3 -48.6 -44.9 20.1 8.4 40.6 123 139 A P H 3> S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.880 112.5 45.8 -62.5 -36.9 19.2 8.8 36.9 124 140 A R H <> S+ 0 0 24 -3,-0.7 4,-1.8 -4,-0.4 -2,-0.2 0.939 114.9 47.2 -70.2 -45.8 21.9 11.5 36.5 125 141 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.945 112.3 50.3 -59.0 -48.3 24.4 9.4 38.4 126 142 A D H X S+ 0 0 56 -4,-3.4 4,-2.1 -5,-0.2 -1,-0.2 0.834 105.3 56.1 -61.6 -33.6 23.5 6.3 36.4 127 143 A T H < S+ 0 0 32 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.929 111.8 43.6 -65.0 -42.6 23.9 8.1 33.1 128 144 A L H ><>S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 5,-1.5 0.926 112.0 52.4 -67.3 -43.4 27.4 9.1 34.1 129 145 A L H ><5S+ 0 0 10 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.847 100.5 62.8 -61.5 -32.9 28.2 5.6 35.4 130 146 A S T 3<5S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.654 99.4 57.5 -66.4 -14.2 27.0 4.2 32.1 131 147 A E T < 5S- 0 0 14 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.196 127.1 -94.6-100.7 12.8 29.9 6.1 30.5 132 148 A G T < 5S+ 0 0 0 -3,-1.8 -66,-1.5 1,-0.3 2,-0.3 0.488 76.5 146.5 89.8 1.0 32.7 4.5 32.5 133 149 A V E < +i 66 0B 0 -5,-1.5 -1,-0.3 -68,-0.2 -66,-0.2 -0.553 13.1 164.1 -71.9 133.7 32.7 7.3 35.1 134 150 A S E + 0 0 0 -68,-2.4 32,-3.2 -2,-0.3 2,-0.4 0.468 59.6 53.6-129.2 -8.0 33.6 5.8 38.5 135 151 A T E +ij 67 166B 0 -69,-1.1 -67,-2.3 30,-0.2 2,-0.4 -0.986 63.2 175.5-131.8 121.8 34.5 8.9 40.7 136 152 A I E -ij 68 167B 0 30,-2.4 32,-1.8 -2,-0.4 2,-0.4 -0.986 21.7-145.0-132.3 137.6 32.2 11.8 40.9 137 153 A E E - j 0 168B 0 -69,-2.4 2,-0.4 -2,-0.4 -64,-0.3 -0.831 18.3-165.9 -98.0 135.9 32.4 15.0 43.0 138 154 A I E - j 0 169B 1 30,-2.6 32,-1.8 -2,-0.4 -66,-0.2 -0.991 2.1-157.6-128.3 128.6 29.1 16.4 44.3 139 155 A K E - j 0 170B 1 -68,-1.7 -65,-0.4 -2,-0.4 32,-0.2 -0.572 9.4-144.6-100.8 161.5 28.5 19.9 45.7 140 156 A S + 0 0 0 30,-1.7 -1,-0.1 -2,-0.2 9,-0.1 0.001 51.0 120.1 -96.8-148.0 25.9 21.3 48.1 141 157 A G + 0 0 0 -2,-0.1 -1,-0.1 69,-0.0 -35,-0.1 0.537 51.0 86.2 105.7 1.7 24.8 24.8 47.3 142 158 A Y S S+ 0 0 9 6,-0.1 -33,-0.3 -37,-0.1 -32,-0.2 0.082 83.6 60.1-119.5 20.1 21.1 24.6 46.6 143 159 A G - 0 0 0 -34,-0.1 5,-0.1 -33,-0.1 3,-0.1 0.771 67.8-168.8-108.9 -52.6 20.0 24.9 50.2 144 160 A L + 0 0 7 1,-0.2 2,-0.3 2,-0.1 49,-0.1 0.705 66.1 74.4 65.3 20.5 21.3 28.2 51.5 145 161 A D S > S- 0 0 44 1,-0.1 4,-2.2 47,-0.1 5,-0.2 -0.942 94.2-107.4-152.7 151.2 20.5 27.3 55.1 146 162 A I H > S+ 0 0 40 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.914 112.7 50.3 -50.3 -53.2 22.4 24.9 57.3 147 163 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 114.4 41.7 -57.7 -43.9 19.8 22.1 57.3 148 164 A T H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 113.0 54.0 -74.0 -34.2 19.3 21.9 53.6 149 165 A E H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.931 112.6 44.0 -63.1 -44.5 23.1 22.2 52.9 150 166 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.881 108.8 57.9 -67.1 -37.8 23.8 19.3 55.2 151 167 A K H X S+ 0 0 21 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.911 103.9 53.2 -58.8 -40.7 20.9 17.4 53.7 152 168 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.899 108.4 48.6 -61.9 -41.4 22.6 17.7 50.3 153 169 A L H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.6 51.0 -66.4 -39.6 25.9 16.3 51.6 154 170 A R H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 108.4 52.6 -64.0 -40.9 24.1 13.3 53.3 155 171 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.929 109.1 49.9 -59.3 -44.0 22.3 12.6 50.0 156 172 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.910 110.9 48.8 -61.4 -44.2 25.6 12.6 48.2 157 173 A R H >< S+ 0 0 61 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.919 109.5 52.7 -61.8 -43.3 27.1 10.2 50.8 158 174 A R H >< S+ 0 0 102 -4,-2.7 3,-1.5 1,-0.2 4,-0.4 0.837 99.0 63.4 -63.3 -33.7 24.1 7.9 50.5 159 175 A L H >X S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 4,-0.8 0.855 95.9 60.0 -60.1 -33.4 24.4 7.7 46.7 160 176 A E T << S+ 0 0 79 -4,-1.0 5,-0.4 -3,-0.7 -1,-0.3 0.698 100.5 55.8 -68.7 -17.8 27.8 6.0 47.2 161 177 A T T <4 S+ 0 0 106 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.538 107.2 49.3 -91.0 -6.5 26.0 3.2 49.2 162 178 A L T <4 S+ 0 0 74 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.517 114.9 32.3-108.4 -9.6 23.7 2.4 46.3 163 179 A R S < S- 0 0 80 -4,-0.8 2,-1.8 2,-0.2 -1,-0.1 -0.981 87.3 -99.8-146.6 156.1 26.1 2.1 43.4 164 180 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.588 79.7 118.4 -76.7 86.0 29.7 1.1 42.7 165 181 A V - 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