==== 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 18-AUG-05 2AQV . COMPND 2 MOLECULE: ISOASPARTYL DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.MARTI-ARBONA,J.B.THODEN,H.M.HOLDEN,F.M.RAUSHEL . 750 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 65 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 3 2 3 1 1 2 0 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 12 0 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 PARALLEL BRIDGES PER LADDER . 4 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 2 0 1 1 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 0 248 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 5.1 34.4 50.9 2 2 A I - 0 0 52 414,-0.0 2,-0.6 412,-0.0 414,-0.1 -0.686 360.0-132.4 -87.8 134.3 6.5 31.3 49.4 3 3 A D + 0 0 91 -2,-0.4 412,-0.3 412,-0.2 3,-0.1 -0.798 35.9 161.0 -91.9 121.6 10.1 31.4 48.4 4 4 A Y > + 0 0 12 -2,-0.6 3,-1.5 1,-0.1 5,-0.3 0.156 40.9 113.5-120.2 15.5 10.8 30.0 45.0 5 5 A T G > + 0 0 75 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.727 57.8 77.2 -61.7 -23.7 14.1 31.7 44.6 6 6 A A G 3 S+ 0 0 39 407,-0.5 -1,-0.3 1,-0.3 408,-0.1 0.808 87.3 63.1 -54.4 -30.2 16.0 28.5 44.6 7 7 A A G < S- 0 0 1 -3,-1.5 25,-2.9 406,-0.4 -1,-0.3 0.697 94.8-142.4 -69.2 -20.8 14.9 27.9 41.0 8 8 A G < - 0 0 41 -3,-1.8 25,-0.3 -4,-0.3 2,-0.2 0.923 23.5-161.5 58.8 42.5 16.7 31.0 39.8 9 9 A F + 0 0 2 40,-0.4 42,-3.2 -5,-0.3 2,-0.4 -0.420 15.3 174.1 -64.5 127.5 13.9 31.8 37.3 10 10 A T E -Ab 30 51A 19 20,-2.1 20,-2.9 -2,-0.2 2,-0.6 -0.994 17.3-163.4-137.8 127.6 15.0 34.2 34.6 11 11 A L E -Ab 29 52A 1 40,-3.3 42,-3.4 -2,-0.4 2,-0.8 -0.959 5.2-159.2-117.5 120.1 13.1 35.4 31.7 12 12 A L E -Ab 28 53A 2 16,-3.2 16,-2.6 -2,-0.6 2,-0.4 -0.903 24.2-154.0-100.0 109.3 15.1 37.0 28.8 13 13 A Q E - b 0 54A 55 40,-3.6 42,-3.3 -2,-0.8 43,-0.3 -0.768 45.1 -17.2-107.5 134.7 12.6 39.0 26.9 14 14 A G E S+ 0 0 17 -2,-0.4 43,-0.6 1,-0.2 -1,-0.2 0.623 74.5 143.1 62.5 28.4 12.3 40.3 23.4 15 15 A A E -A 26 0A 2 11,-0.7 11,-2.5 -3,-0.2 2,-0.8 -0.494 61.0-105.4 -87.2 164.2 15.8 39.9 21.9 16 16 A H E -Ac 25 59A 49 42,-2.7 44,-2.4 39,-0.3 2,-0.5 -0.809 46.6-142.2 -86.5 119.4 16.3 38.9 18.4 17 17 A L E -Ac 24 60A 0 7,-3.2 6,-3.3 -2,-0.8 2,-0.6 -0.756 25.4-173.8 -94.7 126.1 17.5 35.3 18.8 18 18 A Y E -A 22 0A 28 42,-3.0 3,-0.3 -2,-0.5 4,-0.3 -0.956 3.1-174.6-112.4 107.8 20.1 33.6 16.8 19 19 A A S S- 0 0 0 2,-3.5 316,-2.3 -2,-0.6 3,-0.1 0.419 82.7 -82.3 -75.5 -8.5 20.0 29.9 18.0 20 20 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 296,-0.1 -0.968 135.1 79.5 -58.0 -27.0 22.4 30.1 16.0 21 21 A E S S- 0 0 43 -3,-0.3 -2,-3.5 1,-0.1 2,-0.4 -0.236 101.4-103.5 -50.5 133.4 19.4 29.7 13.7 22 22 A D E +A 18 0A 92 -4,-0.3 -4,-0.2 1,-0.2 -1,-0.1 -0.486 47.9 168.1 -65.7 117.0 17.6 32.9 13.2 23 23 A R E - 0 0 107 -6,-3.3 -1,-0.2 -2,-0.4 -5,-0.1 0.265 34.8-139.1-110.6 5.8 14.5 32.6 15.4 24 24 A G E -A 17 0A 22 -7,-0.5 -7,-3.2 2,-0.1 2,-0.4 -0.260 63.4 -7.7 67.6-158.4 13.5 36.3 15.2 25 25 A I E S+A 16 0A 96 -9,-0.3 2,-0.3 -11,-0.1 -9,-0.2 -0.567 88.9 153.9 -71.4 119.9 12.2 38.1 18.3 26 26 A C E -A 15 0A 9 -11,-2.5 -11,-0.7 -2,-0.4 2,-0.3 -0.999 38.8-121.0-154.2 149.7 11.8 35.4 20.8 27 27 A D E - D 0 39A 4 12,-2.9 12,-2.1 -2,-0.3 2,-0.5 -0.641 14.2-154.4 -96.8 153.9 11.8 34.8 24.5 28 28 A V E -AD 12 38A 0 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.5 -0.971 3.9-163.2-129.4 119.7 14.0 32.6 26.6 29 29 A L E -AD 11 37A 0 8,-2.8 7,-3.8 -2,-0.5 8,-1.5 -0.894 12.1-169.4-104.3 121.8 13.0 31.1 30.0 30 30 A V E +AD 10 35A 4 -20,-2.9 -20,-2.1 -2,-0.5 2,-0.3 -0.907 12.3 168.7-114.7 137.1 15.7 29.8 32.3 31 31 A A E > S- D 0 34A 0 3,-2.3 3,-2.7 -2,-0.4 -23,-0.2 -0.988 71.2 -1.7-145.8 139.9 15.5 27.7 35.5 32 32 A N T 3 S- 0 0 36 -25,-2.9 -24,-0.1 -2,-0.3 3,-0.1 0.824 128.9 -57.6 49.5 38.8 18.3 25.9 37.4 33 33 A G T 3 S+ 0 0 15 -25,-0.3 308,-2.7 -26,-0.3 2,-0.3 0.559 116.8 112.4 71.6 8.1 20.9 27.0 34.8 34 34 A K E < S-DE 31 340A 74 -3,-2.7 -3,-2.3 306,-0.2 2,-0.6 -0.837 73.4-120.3-114.6 150.8 18.8 25.3 32.1 35 35 A I E +D 30 0A 1 304,-3.0 303,-4.1 -2,-0.3 -5,-0.3 -0.750 35.5 172.3 -81.4 124.3 16.9 26.7 29.2 36 36 A I E + 0 0 0 -7,-3.8 347,-0.6 -2,-0.6 2,-0.3 0.673 59.2 14.6-110.8 -15.7 13.4 25.5 29.8 37 37 A A E -D 29 0A 0 -8,-1.5 -8,-2.8 346,-0.1 2,-0.4 -0.961 49.3-171.3-160.4 139.8 11.4 27.3 27.1 38 38 A V E +D 28 0A 33 -2,-0.3 2,-0.3 342,-0.3 -10,-0.2 -0.987 37.9 118.7-132.5 117.7 12.0 29.2 24.0 39 39 A A E -D 27 0A 19 -12,-2.1 -12,-2.9 -2,-0.4 3,-0.4 -0.985 62.5 -86.7-170.8 162.9 9.1 31.1 22.5 40 40 A S S S+ 0 0 67 -2,-0.3 -14,-0.1 -14,-0.3 -2,-0.0 -0.587 103.7 7.2 -80.9 142.4 7.6 34.4 21.4 41 41 A N S S- 0 0 138 -2,-0.3 -1,-0.2 1,-0.2 -28,-0.1 0.939 70.6-171.6 51.4 70.6 5.8 36.2 24.2 42 42 A I - 0 0 2 -3,-0.4 2,-0.3 1,-0.1 -1,-0.2 -0.781 36.0-107.3 -90.3 126.8 6.3 34.2 27.3 43 43 A P > - 0 0 52 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.440 19.4-135.4 -58.6 116.9 4.1 35.6 30.0 44 44 A S T 3 S+ 0 0 67 -2,-0.3 6,-0.2 1,-0.3 3,-0.1 0.501 105.3 46.3 -51.7 -7.7 6.2 37.6 32.5 45 45 A D T 3 S+ 0 0 132 1,-0.1 -1,-0.3 4,-0.1 4,-0.0 0.203 73.1 113.0-121.7 12.0 4.3 35.9 35.3 46 46 A I S < S+ 0 0 35 -3,-2.7 -2,-0.1 1,-0.1 -1,-0.1 0.735 87.9 23.5 -57.0 -26.4 4.3 32.3 34.1 47 47 A V S S- 0 0 6 -4,-0.2 3,-0.4 377,-0.1 377,-0.1 -0.981 90.6-106.7-141.5 148.6 6.6 31.3 37.1 48 48 A P S S+ 0 0 21 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.294 93.8 19.8 -72.4 158.7 7.1 33.0 40.5 49 49 A N S S+ 0 0 81 1,-0.2 2,-0.5 -41,-0.1 -40,-0.4 0.918 86.8 169.4 48.9 45.9 10.1 35.0 41.7 50 50 A C - 0 0 28 -3,-0.4 2,-0.6 -6,-0.2 -40,-0.2 -0.819 33.9-143.3 -98.3 128.7 11.1 35.5 38.2 51 51 A T E -b 10 0A 86 -42,-3.2 -40,-3.3 -2,-0.5 2,-0.5 -0.759 21.0-155.3 -86.7 124.3 13.8 37.9 37.2 52 52 A V E -b 11 0A 63 -2,-0.6 2,-0.5 -42,-0.2 -40,-0.2 -0.899 6.7-163.9-108.0 130.5 12.7 39.6 33.9 53 53 A V E -b 12 0A 25 -42,-3.4 -40,-3.6 -2,-0.5 2,-0.8 -0.953 12.6-144.6-118.2 117.1 15.3 41.0 31.5 54 54 A D E +b 13 0A 112 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.690 26.5 166.8 -80.0 109.6 14.2 43.4 28.8 55 55 A L > + 0 0 6 -42,-3.3 3,-3.5 -2,-0.8 -39,-0.3 0.202 19.5 149.1-108.8 11.4 16.5 42.7 25.8 56 56 A S T 3 S+ 0 0 69 -43,-0.3 -41,-0.2 1,-0.3 3,-0.1 -0.132 71.6 19.9 -48.5 131.1 14.5 44.6 23.4 57 57 A G T 3 S+ 0 0 63 -43,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.267 111.2 102.6 91.5 -18.1 16.7 46.0 20.7 58 58 A Q < - 0 0 41 -3,-3.5 -42,-2.7 289,-0.1 2,-0.4 -0.352 66.4-121.7 -96.4 173.6 19.4 43.4 21.6 59 59 A I E -cF 16 346A 11 287,-2.9 287,-2.9 -44,-0.2 2,-0.5 -0.922 17.7-158.5-118.5 141.0 20.7 40.2 20.2 60 60 A L E +cF 17 345A 1 -44,-2.4 -42,-3.0 -2,-0.4 285,-0.2 -0.974 22.4 150.1-124.8 127.6 20.8 36.9 21.9 61 61 A C E - F 0 344A 0 283,-2.6 283,-3.3 -2,-0.5 -42,-0.1 -0.895 45.8 -74.9-147.0 175.5 23.0 34.0 21.0 62 62 A P E - F 0 343A 2 0, 0.0 281,-0.3 0, 0.0 2,-0.1 -0.421 51.7-101.7 -75.1 152.0 24.8 31.1 22.4 63 63 A G - 0 0 2 279,-1.8 270,-0.2 293,-0.1 34,-0.2 -0.341 45.7-101.1 -65.4 147.4 28.0 31.4 24.4 64 64 A F E -j 97 0B 1 32,-2.5 34,-2.5 -2,-0.1 35,-1.6 -0.446 22.6-146.5 -74.8 147.5 31.2 30.6 22.6 65 65 A I E -j 99 0B 1 254,-2.7 2,-0.7 32,-0.2 35,-0.2 -0.962 12.4-167.0-111.4 111.3 33.1 27.3 22.9 66 66 A D E -j 100 0B 0 33,-2.6 35,-2.1 -2,-0.6 3,-0.2 -0.893 5.7-176.5-104.5 107.7 36.8 27.8 22.6 67 67 A Q E + 0 0 10 -2,-0.7 2,-0.2 215,-0.3 -1,-0.1 0.312 67.3 57.7 -90.5 13.6 38.5 24.5 22.2 68 68 A H E + 0 0 1 214,-0.1 217,-2.1 35,-0.0 218,-0.8 -0.634 65.1 137.5-144.6 79.5 42.1 25.5 22.2 69 69 A V E -jk 102 286B 0 32,-2.0 2,-1.7 216,-0.2 34,-1.6 -0.989 50.3-137.9-129.2 136.1 43.3 27.4 25.3 70 70 A H > + 0 0 7 216,-2.7 3,-1.8 -2,-0.4 17,-0.1 -0.582 31.3 178.1 -89.4 70.4 46.4 27.1 27.4 71 71 A L T 3 S+ 0 0 0 -2,-1.7 16,-3.1 1,-0.3 -1,-0.2 0.782 76.3 38.3 -44.8 -44.4 44.5 27.4 30.7 72 72 A I T 3 S- 0 0 21 1,-0.3 -1,-0.3 31,-0.3 14,-0.2 0.447 126.4 -85.3 -91.9 -1.4 47.6 26.9 33.0 73 73 A G < - 0 0 1 -3,-1.8 -1,-0.3 12,-0.1 2,-0.2 -0.287 45.0-160.3 112.3 154.6 50.0 29.0 30.8 74 74 A G + 0 0 9 213,-0.6 10,-2.4 11,-0.2 214,-0.1 -0.409 44.8 84.9-139.3-139.7 52.1 28.0 27.9 75 75 A G B +P 83 0C 15 8,-0.3 32,-0.4 -2,-0.2 8,-0.3 -0.297 23.3 142.6 65.8-152.8 55.2 29.3 26.2 76 76 A G > + 0 0 21 6,-1.1 3,-1.5 3,-0.2 7,-0.2 0.258 37.6 120.4 98.7 -9.4 58.6 28.5 27.5 77 77 A E T 3 S+ 0 0 99 5,-0.3 -2,-0.0 1,-0.3 6,-0.0 0.628 78.3 41.8 -63.5 -16.5 60.2 28.2 24.0 78 78 A A T 3 S- 0 0 78 1,-0.6 3,-0.3 0, 0.0 -1,-0.3 -0.204 130.4 -74.2-124.3 42.3 62.7 30.9 24.6 79 79 A G X - 0 0 30 -3,-1.5 3,-2.0 1,-0.2 -1,-0.6 -0.148 69.4 -51.2 92.3 169.6 63.6 29.8 28.1 80 80 A P G > S+ 0 0 110 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.686 124.3 66.1 -56.6 -29.4 61.9 30.0 31.4 81 81 A T G 3 S+ 0 0 136 -3,-0.3 -2,-0.1 1,-0.2 -6,-0.0 0.700 95.5 64.3 -68.6 -15.3 61.0 33.7 31.4 82 82 A T G < + 0 0 47 -3,-2.0 -6,-1.1 -6,-0.1 2,-0.6 0.319 68.3 116.1 -90.7 11.9 58.7 32.9 28.4 83 83 A R B < -P 75 0C 104 -3,-1.2 -8,-0.3 -8,-0.3 205,-0.1 -0.627 63.0-138.5 -78.8 114.1 56.3 30.7 30.4 84 84 A T - 0 0 19 -10,-2.4 2,-0.1 -2,-0.6 -2,-0.1 -0.413 16.8-105.8 -79.4 165.1 53.0 32.5 30.3 85 85 A P - 0 0 91 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.295 41.5 -84.3 -81.5 163.8 50.8 32.8 33.2 86 86 A E - 0 0 112 -14,-0.2 -14,-0.2 -13,-0.1 2,-0.2 -0.188 49.6 -96.4 -68.4 160.0 47.5 31.0 33.8 87 87 A V - 0 0 0 -16,-3.1 2,-0.5 -17,-0.1 -1,-0.1 -0.528 33.0-138.2 -80.0 141.4 44.2 32.1 32.4 88 88 A A >> - 0 0 23 -2,-0.2 3,-1.2 1,-0.1 4,-0.9 -0.851 14.7-124.9-103.0 139.9 41.9 34.2 34.5 89 89 A L H >> S+ 0 0 1 -2,-0.5 4,-1.9 1,-0.3 3,-1.7 0.877 105.9 53.9 -41.9 -61.6 38.2 33.7 34.6 90 90 A S H 3> S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.818 100.6 63.0 -52.2 -30.3 37.1 37.2 33.6 91 91 A R H <4 S+ 0 0 120 -3,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.853 107.7 42.6 -65.4 -31.3 39.3 37.2 30.5 92 92 A L H X<>S+ 0 0 0 -3,-1.7 5,-2.4 -4,-0.9 3,-0.7 0.936 115.2 46.8 -76.1 -51.4 37.3 34.3 29.1 93 93 A T H ><5S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.3 -2,-0.2 0.914 109.2 53.4 -59.7 -46.4 33.9 35.5 30.0 94 94 A E T 3<5S+ 0 0 83 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.748 106.1 55.5 -60.7 -23.7 34.4 39.0 28.8 95 95 A A T < 5S- 0 0 15 -3,-0.7 -1,-0.3 -4,-0.4 203,-0.3 0.423 124.2-105.8 -86.4 0.4 35.5 37.5 25.5 96 96 A G T < 5S+ 0 0 0 -3,-2.3 -32,-2.5 1,-0.2 2,-0.6 0.566 73.2 142.7 89.5 6.7 32.2 35.7 25.3 97 97 A V E < +j 64 0B 0 -5,-2.4 -1,-0.2 -34,-0.2 -32,-0.2 -0.710 13.9 158.9 -87.0 121.5 33.6 32.2 26.1 98 98 A T E + 0 0 1 -34,-2.5 31,-2.0 -2,-0.6 2,-0.4 0.542 68.5 40.5-115.9 -13.3 31.4 30.0 28.3 99 99 A S E -jl 65 129B 1 -35,-1.6 -33,-2.6 29,-0.2 2,-0.3 -1.000 69.4-177.8-136.6 133.0 32.9 26.6 27.5 100 100 A V E -jl 66 130B 0 29,-2.5 31,-2.0 -2,-0.4 2,-0.5 -0.976 22.6-150.6-134.4 152.7 36.6 25.9 27.1 101 101 A V E - l 0 131B 3 -35,-2.1 -32,-2.0 -2,-0.3 31,-0.3 -0.979 24.0-153.9-119.9 117.2 38.9 23.0 26.2 102 102 A G E +jl 69 132B 0 29,-2.6 31,-1.9 -2,-0.5 2,-0.3 -0.622 20.5 163.0 -92.0 149.4 42.4 23.2 27.9 103 103 A L - 0 0 1 -34,-1.6 -31,-0.3 -2,-0.2 2,-0.2 -0.958 30.8-115.9-156.1 170.8 45.6 21.7 26.5 104 104 A L - 0 0 4 31,-0.3 4,-0.1 -2,-0.3 -30,-0.1 -0.659 25.2-170.5-110.2 164.5 49.4 21.7 26.7 105 105 A G - 0 0 12 2,-0.5 32,-2.5 -2,-0.2 33,-0.4 0.035 57.4 -20.7-121.4-133.4 51.9 22.7 24.0 106 106 A T S S+ 0 0 46 30,-0.2 2,-0.7 31,-0.1 32,-0.2 0.925 118.4 65.5 -51.0 -53.8 55.6 22.5 23.5 107 107 A D + 0 0 29 -32,-0.4 -2,-0.5 1,-0.1 -1,-0.1 -0.667 40.6 148.6 -87.2 113.2 56.5 22.3 27.2 108 108 A S + 0 0 9 -2,-0.7 -1,-0.1 -4,-0.1 -2,-0.1 -0.106 67.2 72.8-125.4 28.7 55.4 19.2 29.0 109 109 A I S S+ 0 0 120 3,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.725 112.0 21.7-107.7 -43.6 58.4 19.3 31.4 110 110 A S S S+ 0 0 42 1,-0.0 2,-0.4 2,-0.0 -2,-0.1 0.373 123.0 67.9-102.9 -2.1 57.4 22.2 33.5 111 111 A R - 0 0 25 -6,-0.1 -7,-0.0 4,-0.0 3,-0.0 -0.977 68.0-170.1-121.0 134.1 53.7 21.8 32.6 112 112 A H >> - 0 0 84 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.960 32.7-129.5-130.6 148.3 51.7 18.8 33.8 113 113 A P H 3> S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.814 109.7 60.8 -61.6 -33.1 48.3 17.3 33.0 114 114 A E H 3> S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.866 106.7 45.6 -62.5 -35.7 47.6 17.1 36.7 115 115 A S H <> S+ 0 0 59 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.946 112.8 50.0 -68.9 -47.5 47.9 20.8 36.9 116 116 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.913 109.3 52.8 -54.5 -46.4 45.8 21.3 33.9 117 117 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.930 108.7 49.1 -60.3 -42.5 43.2 19.0 35.3 118 118 A A H X S+ 0 0 61 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.932 111.2 48.8 -60.8 -46.0 43.0 21.0 38.6 119 119 A K H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.890 108.7 54.8 -61.0 -40.5 42.7 24.3 36.7 120 120 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.914 109.9 46.6 -57.5 -44.9 39.9 22.8 34.5 121 121 A R H X S+ 0 0 55 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.905 107.6 55.6 -68.6 -37.4 38.0 21.9 37.6 122 122 A A H X S+ 0 0 36 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.946 107.2 51.1 -59.8 -43.6 38.5 25.3 39.3 123 123 A L H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-1.0 0.895 108.4 50.6 -62.1 -40.0 36.9 27.0 36.2 124 124 A N H ><5S+ 0 0 31 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.961 113.0 46.3 -64.8 -45.2 33.9 24.7 36.3 125 125 A E H 3<5S+ 0 0 175 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.889 108.1 58.3 -63.7 -36.1 33.5 25.5 40.0 126 126 A E H 3<5S- 0 0 37 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.706 130.1 -85.6 -70.7 -15.5 34.0 29.1 39.2 127 127 A G T <<5S+ 0 0 8 -4,-1.0 233,-0.2 -3,-1.0 -3,-0.2 0.332 94.5 82.7 138.4 -21.8 31.0 29.2 36.8 128 128 A I S - 0 0 37 1,-0.1 4,-2.6 -5,-0.0 -2,-0.4 -1.000 65.7-149.2-140.8 136.9 48.0 5.4 29.3 148 148 A V H > S+ 0 0 11 -2,-0.4 4,-2.5 2,-0.2 5,-0.3 0.937 106.1 50.2 -66.2 -45.8 46.2 7.6 26.8 149 149 A E H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 113.4 45.9 -56.5 -50.1 43.4 5.0 26.6 150 150 A K H > S+ 0 0 61 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.915 110.3 53.0 -61.4 -43.6 43.1 5.0 30.4 151 151 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 7,-0.3 0.951 113.5 43.0 -57.4 -48.4 43.2 8.8 30.7 152 152 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 118.1 46.0 -67.1 -37.6 40.4 9.2 28.2 153 153 A A H < S+ 0 0 13 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.917 125.7 23.4 -72.7 -42.3 38.3 6.5 29.7 154 154 A I H < S+ 0 0 18 -4,-3.3 2,-0.8 -5,-0.2 -2,-0.2 0.690 96.8 81.8-107.7 -13.4 38.6 7.3 33.3 155 155 A I >< - 0 0 1 -4,-2.4 3,-1.9 -5,-0.4 377,-0.1 -0.843 69.3-145.8 -93.6 112.9 39.4 10.9 34.0 156 156 A D T 3 S+ 0 0 34 -2,-0.8 -1,-0.2 1,-0.3 376,-0.1 0.860 92.0 44.9 -42.8 -50.7 36.1 12.6 33.8 157 157 A R T 3 S+ 0 0 47 -26,-0.1 -25,-2.4 -3,-0.1 2,-0.5 0.485 90.0 99.8 -76.5 -7.1 37.3 16.0 32.3 158 158 A V E < +m 132 0B 0 -3,-1.9 -25,-0.2 -7,-0.3 -3,-0.1 -0.769 39.0 168.2 -87.6 128.1 39.6 14.4 29.7 159 159 A I E - 0 0 4 -27,-2.7 37,-1.4 -2,-0.5 38,-1.1 0.503 60.2 -35.8-114.1 -5.7 38.0 14.2 26.2 160 160 A G E -mn 133 197B 0 -28,-0.5 -26,-2.9 36,-0.2 2,-0.4 -0.953 67.8 -80.7 174.8-160.5 41.0 13.3 23.9 161 161 A V E -mn 134 198B 0 36,-2.3 38,-2.2 -2,-0.3 2,-0.3 -0.960 24.3-139.6-137.6 151.0 44.6 13.8 23.4 162 162 A X E +mn 135 199B 4 -28,-2.8 -26,-0.9 -2,-0.4 2,-0.3 -0.749 25.3 158.5-107.9 156.1 46.9 16.4 21.9 163 163 A C E - n 0 200B 0 36,-1.8 38,-2.8 -2,-0.3 2,-0.4 -0.949 28.9-125.6-158.8 173.0 50.1 16.0 19.8 164 164 A A E + n 0 201B 0 -27,-1.3 7,-0.4 -2,-0.3 2,-0.3 -0.993 25.7 170.7-131.5 141.8 52.2 18.0 17.3 165 165 A I E + n 0 202B 4 36,-2.1 38,-1.1 -2,-0.4 40,-0.1 -0.923 59.7 24.4-141.4 162.4 53.3 17.0 13.8 166 166 A S S S+ 0 0 14 -2,-0.3 39,-2.2 36,-0.2 37,-0.3 0.855 95.7 111.7 49.5 46.8 55.1 18.8 10.9 167 167 A D S > S- 0 0 10 36,-0.2 3,-2.1 37,-0.2 5,-0.2 -0.997 77.9-125.4-149.7 142.5 56.7 21.2 13.2 168 168 A H T 3 S+ 0 0 168 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.510 111.3 60.0 -69.4 -2.2 60.3 21.7 14.3 169 169 A R T 3 S+ 0 0 72 -4,-0.1 -1,-0.3 -32,-0.0 -5,-0.0 0.236 84.5 112.7-104.5 9.9 59.0 21.4 17.9 170 170 A S S < S- 0 0 45 -3,-2.1 -32,-0.1 1,-0.1 -5,-0.1 -0.181 75.9-121.3 -75.4 177.4 57.7 17.8 17.4 171 171 A A - 0 0 35 -7,-0.4 -1,-0.1 -34,-0.4 -6,-0.1 0.169 51.1-110.7-100.2 12.8 59.1 14.6 19.0 172 172 A A - 0 0 87 -5,-0.2 -7,-0.1 1,-0.2 -34,-0.0 0.920 48.1-165.9 58.0 44.1 59.7 13.2 15.5 173 173 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.337 9.9-140.3 -63.9 145.5 56.9 10.6 15.9 174 174 A D > - 0 0 84 1,-0.1 4,-2.0 -2,-0.0 3,-0.3 -0.506 32.0 -97.9 -93.8 171.2 56.7 7.8 13.4 175 175 A V H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.860 120.0 56.1 -61.6 -37.3 53.3 6.6 12.1 176 176 A Y H > S+ 0 0 149 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.926 107.6 49.4 -60.7 -43.5 53.0 3.7 14.4 177 177 A H H > S+ 0 0 75 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.918 114.2 44.9 -62.8 -39.0 53.3 6.0 17.4 178 178 A L H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.933 113.9 49.1 -69.2 -45.2 50.8 8.3 16.1 179 179 A A H X S+ 0 0 8 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.927 110.6 49.8 -60.9 -46.5 48.3 5.6 15.1 180 180 A N H X S+ 0 0 58 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.951 111.6 49.1 -58.7 -45.3 48.5 3.8 18.4 181 181 A M H X S+ 0 0 5 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.942 112.5 47.1 -61.5 -47.6 47.9 7.1 20.2 182 182 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.921 112.2 50.7 -60.7 -39.8 44.9 8.0 18.1 183 183 A A H X S+ 0 0 34 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.889 109.8 50.4 -64.7 -37.1 43.5 4.5 18.5 184 184 A E H X S+ 0 0 45 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.906 110.9 48.4 -66.5 -46.9 43.8 4.7 22.2 185 185 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 112.5 50.5 -56.2 -45.4 42.1 8.0 22.4 186 186 A R H X S+ 0 0 70 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.956 115.0 40.4 -58.0 -52.6 39.3 6.6 20.2 187 187 A V H X S+ 0 0 57 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.903 112.5 54.9 -67.2 -42.4 38.7 3.5 22.3 188 188 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.867 105.9 53.9 -60.1 -34.1 39.1 5.3 25.5 189 189 A G H X>S+ 0 0 0 -4,-1.9 5,-2.9 -5,-0.2 4,-1.5 0.894 105.9 51.1 -71.2 -36.0 36.4 7.7 24.4 190 190 A L H <5S+ 0 0 108 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.918 115.4 43.7 -62.8 -44.4 33.8 5.0 23.7 191 191 A L H <5S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.901 122.3 37.7 -66.4 -42.1 34.5 3.5 27.1 192 192 A G H <5S- 0 0 25 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.500 109.8-114.9 -90.2 -7.5 34.4 6.8 28.8 193 193 A G T <5S+ 0 0 67 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.903 73.0 130.0 76.2 37.5 31.6 8.4 26.8 194 194 A K S - 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