==== 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 04-FEB-05 1WY2 . COMPND 2 MOLECULE: XAA-PRO DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 698 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 16.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 6 0 2 1 2 0 4 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 0 PARALLEL BRIDGES PER LADDER . 11 4 5 8 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 0 173 0, 0.0 2,-0.3 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 163.6 50.4 46.2 54.0 2 2 A D - 0 0 48 48,-2.5 2,-0.8 69,-0.0 68,-0.0 -0.670 360.0-121.9 -95.0 152.0 49.5 48.4 50.9 3 3 A I - 0 0 155 -2,-0.3 2,-0.3 49,-0.1 49,-0.1 -0.863 45.5-169.7 -90.2 112.4 48.3 51.9 51.0 4 4 A M - 0 0 17 -2,-0.8 66,-0.1 1,-0.1 5,-0.0 -0.813 20.0-109.2-112.3 150.2 45.0 51.4 49.1 5 5 A N > - 0 0 43 -2,-0.3 4,-2.1 29,-0.1 5,-0.2 -0.136 36.8-101.5 -69.9 168.7 42.5 53.9 47.7 6 6 A E H > S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.773 119.5 56.6 -64.8 -26.3 39.0 54.5 49.2 7 7 A K H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 108.8 47.0 -70.5 -42.1 37.2 52.3 46.6 8 8 A V H > S+ 0 0 0 1,-0.2 4,-2.3 26,-0.2 -2,-0.2 0.910 111.8 51.9 -63.3 -41.7 39.4 49.4 47.5 9 9 A K H X S+ 0 0 109 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.852 104.8 54.8 -65.6 -33.3 38.8 50.0 51.2 10 10 A K H X S+ 0 0 95 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.876 109.6 48.1 -67.0 -34.9 35.0 50.1 50.7 11 11 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.901 109.1 52.8 -70.9 -39.7 35.3 46.7 49.1 12 12 A I H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.888 107.5 52.6 -62.4 -37.6 37.5 45.5 52.0 13 13 A E H X S+ 0 0 113 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.954 110.3 46.9 -61.3 -49.5 34.8 46.7 54.4 14 14 A F H X S+ 0 0 36 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.900 110.1 55.5 -58.1 -42.4 32.1 44.7 52.6 15 15 A M H <>S+ 0 0 2 -4,-2.6 5,-3.0 1,-0.2 3,-0.4 0.930 109.0 45.0 -56.6 -50.7 34.4 41.7 52.5 16 16 A D H ><5S+ 0 0 108 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.912 112.9 50.2 -62.5 -43.5 34.9 41.6 56.3 17 17 A K H 3<5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.705 116.4 42.4 -68.9 -19.9 31.2 42.2 57.0 18 18 A N T 3<5S- 0 0 58 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.176 112.5-113.2-112.3 16.0 30.2 39.3 54.7 19 19 A S T < 5 + 0 0 94 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.896 62.6 154.1 53.5 46.0 32.9 36.9 55.7 20 20 A I < - 0 0 7 -5,-3.0 -1,-0.2 -6,-0.1 71,-0.2 -0.897 34.8-160.5-106.6 133.4 34.7 37.1 52.3 21 21 A D S S- 0 0 87 69,-1.7 28,-0.4 -2,-0.4 2,-0.3 0.826 70.9 -4.8 -81.9 -34.3 38.4 36.3 52.1 22 22 A A E -a 91 0A 1 68,-1.5 70,-3.4 26,-0.1 2,-0.4 -0.985 60.6-136.9-156.5 158.7 39.2 38.0 48.8 23 23 A V E -aB 92 47A 0 24,-2.2 24,-2.8 -2,-0.3 2,-0.5 -0.975 8.4-156.4-125.8 137.6 37.5 39.8 45.9 24 24 A L E - B 0 46A 0 68,-2.7 2,-0.5 -2,-0.4 70,-0.5 -0.956 6.6-169.4-114.2 124.4 38.1 39.5 42.2 25 25 A I E + B 0 45A 0 20,-2.5 20,-2.8 -2,-0.5 68,-0.0 -0.966 22.9 148.6-114.6 121.3 37.2 42.3 39.8 26 26 A A + 0 0 21 -2,-0.5 2,-0.3 18,-0.2 17,-0.3 0.580 33.1 105.4-127.5 -18.3 37.3 41.6 36.1 27 27 A K S >> S- 0 0 79 1,-0.1 4,-2.5 15,-0.1 3,-0.8 -0.541 71.8-126.3 -72.4 129.6 34.7 43.6 34.3 28 28 A N H 3> S+ 0 0 97 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.832 106.0 49.4 -41.8 -53.1 36.3 46.5 32.3 29 29 A P H 3> S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.897 114.7 46.0 -60.1 -37.0 34.3 49.4 33.7 30 30 A N H <> S+ 0 0 7 -3,-0.8 4,-2.4 2,-0.2 5,-0.3 0.868 109.7 53.1 -72.7 -36.7 34.9 48.1 37.3 31 31 A V H X>S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.6 0.923 114.2 43.6 -63.4 -41.5 38.6 47.6 36.7 32 32 A Y H X5S+ 0 0 51 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.926 111.2 54.2 -67.8 -44.7 38.9 51.1 35.5 33 33 A Y H <5S+ 0 0 19 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 119.3 33.2 -56.0 -43.8 36.7 52.5 38.3 34 34 A I H <5S+ 0 0 0 -4,-2.4 -26,-0.2 -5,-0.1 -2,-0.2 0.873 135.8 18.8 -84.0 -39.8 38.9 50.9 40.9 35 35 A S H <5S- 0 0 0 -4,-2.7 34,-2.3 -5,-0.3 35,-0.2 0.682 88.0-126.8-107.3 -22.9 42.4 51.1 39.4 36 36 A G S < - C 0 51A 43 3,-3.0 3,-0.6 -2,-0.5 -26,-0.1 -0.678 52.7 -85.9-119.9 178.0 42.7 41.0 50.1 49 49 A G T 3 S+ 0 0 41 -28,-0.4 -27,-0.1 1,-0.2 3,-0.1 0.745 126.4 19.7 -59.3 -23.6 42.4 42.5 53.6 50 50 A E T 3 S+ 0 0 131 1,-0.1 -48,-2.5 -49,-0.1 2,-0.3 0.286 123.0 44.2-130.3 10.4 45.8 44.2 53.3 51 51 A S E < -C 48 0A 32 -3,-0.6 -3,-3.0 -50,-0.2 2,-0.4 -0.994 47.5-161.1-155.2 159.3 46.5 44.4 49.6 52 52 A A E +C 47 0A 1 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.967 19.5 179.3-143.3 123.1 45.2 45.2 46.1 53 53 A T E -C 46 0A 20 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.7 -0.983 21.5-146.3-131.6 139.7 46.9 43.9 42.9 54 54 A L E -Cd 45 72A 0 17,-3.0 19,-2.7 -2,-0.4 2,-0.5 -0.908 18.0-162.9-105.2 113.5 46.1 44.3 39.2 55 55 A Y E +Cd 44 73A 40 -11,-3.4 -11,-2.6 -2,-0.7 19,-0.2 -0.836 16.8 168.3 -97.8 131.2 47.1 41.2 37.2 56 56 A V E - d 0 74A 0 17,-2.2 19,-1.7 -2,-0.5 -13,-0.1 -0.957 36.9 -98.1-141.2 158.0 47.4 41.5 33.5 57 57 A P E >> - d 0 75A 29 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.290 45.1-103.3 -68.6 161.1 48.7 39.6 30.5 58 58 A E H >> S+ 0 0 107 17,-0.9 3,-0.6 1,-0.3 4,-0.5 0.867 121.0 62.3 -53.6 -39.9 52.2 40.6 29.1 59 59 A L H 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 -18,-0.1 0.233 112.9 37.1 -73.2 17.5 50.6 42.4 26.2 60 60 A E H <> S+ 0 0 9 -3,-1.8 4,-2.5 -21,-0.1 5,-0.2 0.435 89.9 92.4-140.1 -15.3 49.0 44.8 28.8 61 61 A Y H S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 116.0 50.2 -69.8 -40.7 50.3 50.3 29.8 64 64 A A H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 3,-0.3 0.926 106.9 55.1 -62.0 -45.2 48.7 49.1 32.9 65 65 A K H < S+ 0 0 123 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.826 110.4 47.9 -56.6 -33.0 51.8 49.9 34.9 66 66 A E H < S+ 0 0 154 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.795 122.3 29.7 -80.8 -30.3 51.5 53.4 33.6 67 67 A E H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.3 2,-0.2 0.683 95.0 98.5-104.7 -21.6 47.8 54.1 34.3 68 68 A S < - 0 0 19 -4,-3.2 -32,-0.2 -5,-0.2 4,-0.1 -0.452 52.8-159.1 -73.8 138.5 47.1 51.9 37.4 69 69 A N S S+ 0 0 98 -34,-2.3 -1,-0.1 -2,-0.2 -33,-0.1 0.323 79.1 63.2 -94.9 5.8 47.0 53.4 40.8 70 70 A I S S- 0 0 9 -35,-0.2 -17,-0.1 -66,-0.1 -2,-0.1 -0.930 104.8 -75.7-127.8 153.6 47.5 50.0 42.4 71 71 A P - 0 0 69 0, 0.0 -17,-3.0 0, 0.0 2,-0.4 -0.165 47.8-144.7 -48.7 132.3 50.5 47.5 42.1 72 72 A V E -d 54 0A 16 -19,-0.2 2,-0.4 -4,-0.1 -17,-0.2 -0.890 16.3-174.7-109.3 132.0 50.5 45.7 38.7 73 73 A E E -d 55 0A 99 -19,-2.7 -17,-2.2 -2,-0.4 2,-0.3 -0.981 11.8-149.9-123.2 133.8 51.7 42.1 38.2 74 74 A K E -d 56 0A 100 -2,-0.4 2,-0.3 -19,-0.2 -16,-0.1 -0.745 9.7-167.7-105.0 153.5 52.0 40.5 34.8 75 75 A F E -d 57 0A 13 -19,-1.7 -17,-0.9 -2,-0.3 3,-0.1 -0.979 19.9-155.6-137.7 149.4 51.6 36.8 34.0 76 76 A K S S+ 0 0 158 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.813 85.0 23.7 -91.5 -36.8 52.4 34.7 30.9 77 77 A K S >> S- 0 0 97 1,-0.1 3,-2.2 -20,-0.0 4,-0.7 -0.971 77.8-119.5-132.6 146.3 49.8 32.0 31.4 78 78 A M H >> S+ 0 0 50 -2,-0.3 4,-2.6 1,-0.3 3,-0.6 0.780 108.9 71.9 -52.4 -30.5 46.6 31.9 33.4 79 79 A D H 3> S+ 0 0 82 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.832 94.0 55.6 -56.1 -31.3 48.0 29.1 35.6 80 80 A E H <> S+ 0 0 87 -3,-2.2 4,-1.0 2,-0.2 -1,-0.3 0.866 108.0 48.3 -68.2 -37.0 50.2 31.8 37.1 81 81 A F H XX S+ 0 0 1 -4,-0.7 4,-0.9 -3,-0.6 3,-0.8 0.953 110.4 49.2 -67.6 -51.3 47.0 33.9 37.9 82 82 A Y H 3X S+ 0 0 8 -4,-2.6 4,-0.7 1,-0.3 3,-0.3 0.812 104.7 60.2 -59.2 -31.4 45.2 30.9 39.5 83 83 A K H >< S+ 0 0 142 -4,-1.6 3,-0.7 -5,-0.3 -1,-0.3 0.872 100.5 54.9 -64.9 -35.7 48.3 30.1 41.6 84 84 A A H << S+ 0 0 42 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.784 107.0 51.6 -66.8 -27.1 48.0 33.6 43.1 85 85 A L H >< S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.3 -1,-0.2 0.600 81.5 121.0 -85.3 -13.4 44.4 32.7 44.1 86 86 A E T << + 0 0 112 -3,-0.7 24,-0.1 -4,-0.7 3,-0.1 -0.272 69.8 32.2 -55.2 129.3 45.4 29.5 45.8 87 87 A G T 3 S+ 0 0 72 22,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.179 82.3 129.7 109.4 -16.9 44.4 29.4 49.4 88 88 A I < - 0 0 20 -3,-1.9 24,-0.5 21,-0.3 -1,-0.3 -0.581 31.2-178.6 -75.9 127.3 41.2 31.6 49.1 89 89 A K S S+ 0 0 116 -2,-0.4 24,-2.6 1,-0.3 23,-1.0 0.934 72.7 26.9 -87.9 -61.2 38.2 30.0 50.7 90 90 A S E S- e 0 113A 7 22,-0.2 -69,-1.7 21,-0.1 -68,-1.5 -0.929 73.6-167.3-109.8 116.9 35.4 32.5 50.0 91 91 A L E -ae 22 114A 0 22,-3.0 24,-2.0 -2,-0.6 2,-0.4 -0.895 13.1-142.2-108.6 128.0 35.8 34.7 46.9 92 92 A G E +ae 23 115A 0 -70,-3.4 -68,-2.7 -2,-0.5 2,-0.3 -0.727 30.1 177.4 -86.7 132.6 33.7 37.7 46.2 93 93 A I E - e 0 116A 0 22,-2.9 24,-1.8 -2,-0.4 25,-0.4 -0.910 31.0-100.9-136.3 162.3 32.8 38.1 42.5 94 94 A E > - 0 0 6 -70,-0.5 3,-1.7 -2,-0.3 353,-0.3 -0.473 31.3-121.3 -77.9 151.1 30.8 40.3 40.1 95 95 A S T 3 S+ 0 0 29 1,-0.3 353,-2.5 352,-0.2 354,-0.5 0.625 112.3 62.0 -67.4 -10.3 27.4 39.2 38.9 96 96 A S T 3 S+ 0 0 39 350,-0.2 -1,-0.3 351,-0.2 -2,-0.0 0.533 70.8 120.4 -92.2 -8.8 28.9 39.4 35.4 97 97 A L < - 0 0 7 -3,-1.7 350,-2.1 349,-0.1 351,-0.1 -0.399 66.8-118.5 -62.0 124.1 31.6 36.8 35.9 98 98 A P B > -F 446 0B 47 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.261 10.2-119.8 -68.4 149.2 31.1 34.0 33.3 99 99 A Y H > S+ 0 0 31 346,-2.1 4,-2.2 343,-0.2 5,-0.2 0.890 110.4 54.1 -50.6 -50.6 30.4 30.4 34.1 100 100 A G H > S+ 0 0 14 343,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.879 109.2 47.7 -56.2 -41.8 33.4 29.0 32.3 101 101 A F H > S+ 0 0 26 342,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.895 110.0 52.5 -67.7 -40.9 35.8 31.3 34.3 102 102 A I H X S+ 0 0 9 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.869 106.1 53.8 -63.4 -37.6 34.1 30.3 37.6 103 103 A E H X S+ 0 0 54 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.875 107.5 52.0 -64.9 -35.8 34.6 26.6 36.9 104 104 A E H X>S+ 0 0 51 -4,-1.4 4,-3.2 1,-0.2 5,-0.7 0.939 107.8 51.0 -63.5 -47.9 38.3 27.3 36.3 105 105 A L H X5S+ 0 0 0 -4,-2.1 6,-1.9 1,-0.2 4,-1.1 0.866 108.0 54.0 -57.9 -38.0 38.6 29.1 39.7 106 106 A K H <5S+ 0 0 87 -4,-1.9 -1,-0.2 4,-0.2 -2,-0.2 0.885 120.6 29.7 -64.5 -40.4 36.9 26.1 41.4 107 107 A K H <5S+ 0 0 149 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.919 129.0 33.3 -87.8 -49.2 39.3 23.6 39.9 108 108 A K H <5S+ 0 0 75 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.788 132.2 29.7 -81.5 -29.9 42.6 25.5 39.5 109 109 A A S <> + 0 0 0 -24,-1.8 4,-1.8 -2,-0.2 3,-0.9 0.217 51.9 112.8-118.1 9.5 29.9 41.8 45.6 118 118 A D H 3> + 0 0 45 -25,-0.4 4,-3.0 1,-0.2 5,-0.2 0.852 68.8 62.1 -48.5 -43.4 27.5 43.6 43.3 119 119 A D H 3> S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 106.5 41.9 -55.6 -43.2 26.0 45.6 46.2 120 120 A V H <> S+ 0 0 12 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.869 114.3 50.9 -76.1 -34.7 29.2 47.4 47.1 121 121 A I H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.941 114.5 46.0 -64.9 -44.7 30.2 48.1 43.5 122 122 A R H X S+ 0 0 69 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.940 107.3 56.0 -61.4 -50.2 26.7 49.5 43.0 123 123 A D H < S+ 0 0 96 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.826 114.7 40.7 -54.6 -32.8 26.7 51.6 46.1 124 124 A M H >< S+ 0 0 8 -4,-1.5 3,-1.0 -3,-0.2 -2,-0.2 0.956 119.3 40.6 -80.0 -54.9 29.9 53.3 44.9 125 125 A R H 3< S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.760 102.4 69.2 -67.6 -26.6 29.1 53.8 41.2 126 126 A I T 3< S+ 0 0 11 -4,-2.8 2,-0.6 -5,-0.2 186,-0.3 0.710 95.1 60.6 -66.6 -21.8 25.5 54.8 41.7 127 127 A I S < S- 0 0 68 -3,-1.0 2,-0.3 -4,-0.3 184,-0.2 -0.940 82.4-147.8-110.2 114.8 26.6 58.1 43.3 128 128 A K - 0 0 10 182,-2.5 2,-0.1 -2,-0.6 -3,-0.1 -0.600 8.6-131.6 -85.4 142.2 28.6 60.3 40.9 129 129 A S > - 0 0 55 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.381 31.5-103.3 -82.0 166.3 31.4 62.6 42.2 130 130 A E H > S+ 0 0 165 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 125.2 54.0 -58.1 -36.2 31.6 66.2 41.1 131 131 A K H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.910 109.4 45.7 -64.0 -44.4 34.5 65.1 38.8 132 132 A E H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 109.2 55.9 -66.8 -39.9 32.4 62.3 37.2 133 133 A I H X S+ 0 0 29 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.897 104.2 53.6 -60.1 -41.5 29.4 64.6 36.7 134 134 A K H X S+ 0 0 154 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.888 110.5 46.9 -61.4 -39.6 31.6 67.1 34.8 135 135 A I H X S+ 0 0 22 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.929 113.5 47.4 -68.4 -45.1 32.7 64.3 32.4 136 136 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.905 109.7 54.0 -62.9 -40.4 29.2 63.0 31.9 137 137 A E H X S+ 0 0 42 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.894 108.3 49.4 -62.3 -38.1 27.9 66.6 31.3 138 138 A K H X S+ 0 0 84 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.886 108.4 52.7 -67.9 -37.5 30.6 67.1 28.6 139 139 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.879 109.1 50.7 -63.9 -36.0 29.5 63.8 27.0 140 140 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.827 105.5 55.6 -70.2 -31.4 26.0 65.1 27.0 141 141 A E H X S+ 0 0 82 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.901 109.2 47.2 -66.4 -40.2 27.2 68.3 25.3 142 142 A I H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.880 111.6 50.8 -67.2 -38.3 28.6 66.2 22.6 143 143 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.900 107.7 53.0 -66.8 -40.4 25.4 64.2 22.3 144 144 A D H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 108.7 49.8 -60.0 -43.8 23.4 67.5 22.1 145 145 A K H X S+ 0 0 97 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.875 110.1 51.5 -62.6 -36.5 25.6 68.6 19.2 146 146 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.905 109.1 49.1 -68.0 -42.0 25.1 65.3 17.5 147 147 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.906 111.2 49.6 -64.4 -41.7 21.3 65.5 17.8 148 148 A M H X S+ 0 0 108 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 111.6 49.2 -64.5 -38.0 21.2 69.0 16.4 149 149 A A H X S+ 0 0 29 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.881 109.5 52.7 -67.7 -37.3 23.4 67.9 13.5 150 150 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 107.1 51.5 -63.4 -44.9 21.1 64.9 12.9 151 151 A I H < S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.8 47.0 -59.0 -41.2 18.0 67.2 12.7 152 152 A E H < S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.6 47.3 -70.9 -31.5 19.8 69.4 10.2 153 153 A E H < S+ 0 0 45 -4,-1.8 2,-0.5 -5,-0.1 -2,-0.2 0.733 90.0 96.2 -82.3 -24.9 20.9 66.4 8.1 154 154 A I < + 0 0 11 -4,-2.1 2,-0.3 -5,-0.1 55,-0.0 -0.569 47.3 136.5 -75.4 119.3 17.5 64.7 8.1 155 155 A T > - 0 0 60 -2,-0.5 3,-2.0 75,-0.1 48,-0.3 -0.962 62.7 -69.1-153.5 160.4 15.4 65.4 5.0 156 156 A E T 3 S+ 0 0 98 -2,-0.3 48,-0.2 1,-0.2 3,-0.1 -0.284 120.0 27.2 -55.8 135.8 13.3 63.4 2.6 157 157 A G T 3 S+ 0 0 40 46,-3.6 -1,-0.2 1,-0.3 47,-0.1 0.049 88.6 126.1 100.5 -25.9 15.4 61.0 0.6 158 158 A K < - 0 0 72 -3,-2.0 45,-3.5 44,-0.1 2,-0.4 -0.389 61.4-122.7 -69.3 142.8 18.2 60.6 3.1 159 159 A K B >> -G 202 0C 47 43,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.726 14.3-133.4 -86.8 132.7 19.2 57.1 4.2 160 160 A E H 3> S+ 0 0 0 41,-2.5 4,-2.3 -2,-0.4 3,-0.3 0.905 105.8 51.7 -49.7 -49.7 18.9 56.5 8.0 161 161 A R H 3> S+ 0 0 27 38,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.821 106.3 54.2 -59.7 -34.0 22.3 54.9 8.2 162 162 A E H <> S+ 0 0 57 -3,-0.6 4,-2.0 37,-0.3 -1,-0.2 0.863 107.3 50.1 -70.4 -34.6 24.0 57.8 6.4 163 163 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 -3,-0.3 5,-0.2 0.934 111.5 49.7 -66.3 -44.5 22.6 60.2 8.9 164 164 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.923 108.8 52.3 -59.0 -45.0 23.9 58.0 11.6 165 165 A A H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.910 109.2 50.3 -58.9 -42.9 27.3 57.9 10.0 166 166 A K H X S+ 0 0 92 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.910 113.4 42.8 -64.2 -44.9 27.5 61.7 9.8 167 167 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.792 111.2 54.7 -75.5 -26.3 26.7 62.3 13.4 168 168 A E H X S+ 0 0 10 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.860 108.8 49.6 -73.1 -32.6 28.9 59.6 14.7 169 169 A Y H X S+ 0 0 50 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.920 109.8 51.6 -68.1 -43.0 31.8 61.2 12.8 170 170 A L H X S+ 0 0 56 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.907 107.6 52.0 -60.2 -42.6 30.9 64.5 14.3 171 171 A M H ><>S+ 0 0 1 -4,-2.2 5,-2.3 1,-0.2 3,-0.7 0.922 110.7 47.8 -61.2 -43.6 30.9 63.1 17.8 172 172 A K H ><5S+ 0 0 16 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.893 109.7 51.8 -64.5 -40.3 34.4 61.6 17.3 173 173 A M H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.628 106.4 57.1 -73.2 -10.2 35.7 64.9 15.9 174 174 A N T <<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.240 133.1 -84.7-101.8 11.0 34.3 66.6 19.0 175 175 A G T < 5S+ 0 0 34 -3,-1.6 43,-0.4 1,-0.3 -3,-0.2 0.257 81.5 138.1 109.9 -13.7 36.3 64.4 21.4 176 176 A A < - 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 41,-0.2 -0.386 51.1-141.4 -68.6 143.0 34.2 61.3 21.8 177 177 A E S S- 0 0 74 39,-2.5 -1,-0.1 1,-0.3 40,-0.1 0.905 75.4 -52.4 -66.2 -41.4 36.0 57.9 21.8 178 178 A K E S-H 216 0D 73 38,-0.9 38,-2.5 -7,-0.1 -1,-0.3 -0.945 80.8 -49.1-179.6 177.7 33.1 56.5 19.9 179 179 A P E -H 215 0D 25 0, 0.0 36,-0.3 0, 0.0 3,-0.1 -0.386 44.9-130.1 -66.4 148.5 29.3 56.3 20.1 180 180 A A S S- 0 0 20 34,-2.5 2,-0.3 1,-0.2 113,-0.2 0.746 86.9 -14.6 -69.6 -22.6 27.9 55.1 23.4 181 181 A F S S- 0 0 42 33,-0.5 33,-0.3 112,-0.1 2,-0.3 -0.956 100.8 -54.3-168.1 167.5 25.8 52.6 21.6 182 182 A D - 0 0 34 -2,-0.3 344,-0.1 1,-0.1 30,-0.1 -0.371 67.4-112.5 -57.9 116.7 24.5 51.9 18.0 183 183 A T - 0 0 0 -2,-0.3 15,-2.1 14,-0.1 2,-0.6 -0.238 25.0-143.4 -57.4 131.0 22.9 55.1 16.8 184 184 A I E +JK 197 212E 4 28,-3.0 28,-2.1 13,-0.3 2,-0.4 -0.874 28.8 163.6-101.8 118.8 19.1 54.9 16.4 185 185 A I E + K 0 211E 0 11,-0.6 2,-0.6 -2,-0.6 14,-0.6 -0.881 16.7 175.3-131.6 93.8 17.6 56.9 13.5 186 186 A A E - 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