==== 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 03-JUN-09 3HP9 . COMPND 2 MOLECULE: EXODEOXYRIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.A.SATYSHUR . 452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.3 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 . 0 0.0 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 0 4 1 1 0 3 2 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 3 2 0 0 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 0 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 7 A Q 0 0 141 0, 0.0 2,-0.2 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 134.3 48.0 16.2 18.0 2 8 A Q - 0 0 154 1,-0.1 2,-0.3 87,-0.1 0, 0.0 -0.591 360.0-105.5 -96.2 152.2 48.1 17.5 21.5 3 9 A S + 0 0 65 -2,-0.2 29,-0.5 88,-0.1 2,-0.3 -0.566 46.7 179.1 -70.6 134.2 45.5 17.1 24.3 4 10 A T E -a 91 0A 15 86,-2.4 88,-2.7 -2,-0.3 2,-0.4 -0.885 26.5-132.2-132.4 164.1 43.6 20.4 24.9 5 11 A F E -aB 92 30A 9 25,-2.2 25,-2.6 -2,-0.3 2,-0.6 -0.966 11.8-158.6-111.1 135.8 40.8 21.7 27.1 6 12 A L E -aB 93 29A 2 86,-2.8 88,-2.2 -2,-0.4 2,-0.3 -0.906 10.3-163.4-113.0 100.6 38.0 23.7 25.6 7 13 A F E +aB 94 28A 0 21,-2.1 21,-2.1 -2,-0.6 2,-0.3 -0.665 21.6 165.4 -78.6 133.8 36.4 25.9 28.3 8 14 A H E - B 0 27A 2 86,-1.7 88,-0.4 -2,-0.3 2,-0.3 -0.962 21.6-174.7-148.9 166.2 33.0 27.1 27.3 9 15 A D E - B 0 26A 24 17,-2.0 17,-2.4 -2,-0.3 2,-0.4 -0.954 13.8-143.1-161.6 139.6 29.7 28.7 28.5 10 16 A Y E - B 0 25A 5 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.868 1.6-156.7-100.7 143.2 26.3 29.6 27.1 11 17 A E E - B 0 24A 39 13,-2.6 12,-2.9 -2,-0.4 13,-2.5 -0.964 30.1-176.1-103.4 134.3 24.1 32.6 27.9 12 18 A T E - B 0 22A 14 -2,-0.5 49,-0.2 10,-0.3 51,-0.1 -0.768 39.3-117.7-125.3 174.1 20.6 31.6 27.0 13 19 A F S S- 0 0 0 8,-3.1 41,-2.8 -2,-0.2 44,-0.3 0.296 91.5 -0.6 -95.7 10.1 17.1 33.2 26.9 14 20 A G S S- 0 0 4 7,-0.2 6,-0.1 39,-0.2 -1,-0.1 -0.980 73.8 -94.8 177.5 174.9 15.7 30.8 29.5 15 21 A T S S+ 0 0 109 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.0 0.680 90.9 89.9 -80.1 -20.9 16.2 27.9 31.9 16 22 A H > - 0 0 82 1,-0.2 4,-2.2 2,-0.1 -3,-0.1 -0.691 61.8-157.4 -87.1 114.4 14.9 25.1 29.6 17 23 A P T 4 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 91,-0.1 0.723 93.4 31.6 -65.7 -19.1 17.8 23.7 27.6 18 24 A A T 4 S+ 0 0 7 90,-0.1 328,-0.1 3,-0.1 -2,-0.1 0.812 126.0 37.3 -98.3 -43.9 15.3 22.4 24.9 19 25 A L T 4 S+ 0 0 61 326,-0.1 2,-0.3 2,-0.1 326,-0.1 0.589 108.3 65.5 -97.3 -13.9 12.5 24.9 24.9 20 26 A D S < S- 0 0 15 -4,-2.2 -6,-0.1 -6,-0.1 31,-0.0 -0.718 82.7-122.8-101.2 159.6 14.4 28.1 25.4 21 27 A R - 0 0 18 -2,-0.3 -8,-3.1 1,-0.0 -7,-0.2 -0.778 19.7-111.1-106.1 148.6 16.9 29.4 22.9 22 28 A P E -B 12 0A 2 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.404 24.9-175.6 -71.1 152.5 20.6 30.1 23.2 23 29 A A E + 0 0 0 -12,-2.9 22,-2.1 1,-0.4 2,-0.3 0.712 64.1 6.1-112.0 -44.4 21.8 33.8 23.1 24 30 A Q E -BC 11 44A 10 -13,-2.5 -13,-2.6 20,-0.3 -1,-0.4 -0.997 52.9-157.2-148.4 142.9 25.6 33.7 23.2 25 31 A F E -BC 10 43A 0 18,-2.8 18,-2.2 -2,-0.3 2,-0.4 -0.986 13.3-175.7-121.3 136.1 28.4 31.1 23.2 26 32 A A E +BC 9 42A 2 -17,-2.4 -17,-2.0 -2,-0.4 2,-0.3 -0.998 12.0 156.2-131.2 137.7 31.8 31.8 24.7 27 33 A A E -BC 8 41A 0 14,-1.8 14,-2.9 -2,-0.4 2,-0.3 -0.991 18.3-172.3-153.5 157.2 34.9 29.5 24.6 28 34 A I E -B 7 0A 2 -21,-2.1 -21,-2.1 -2,-0.3 2,-0.4 -0.966 21.1-130.9-151.4 145.7 38.7 29.4 24.7 29 35 A R E -B 6 0A 35 -2,-0.3 8,-2.4 10,-0.3 9,-1.8 -0.769 23.2-176.8 -98.7 136.6 41.2 26.6 24.2 30 36 A T E -BD 5 36A 0 -25,-2.6 -25,-2.2 -2,-0.4 6,-0.2 -0.872 26.4-111.8-121.8 160.8 44.1 25.8 26.6 31 37 A D > - 0 0 45 4,-2.4 3,-2.1 -2,-0.3 -27,-0.2 -0.156 53.4 -80.9 -73.8-177.3 46.9 23.3 26.6 32 38 A S T 3 S+ 0 0 63 -29,-0.5 -28,-0.1 1,-0.3 -1,-0.1 0.652 133.4 51.5 -65.1 -14.8 47.0 20.4 29.1 33 39 A E T 3 S- 0 0 105 2,-0.1 -1,-0.3 -28,-0.0 3,-0.1 0.230 121.5-104.0-105.9 11.9 48.4 22.8 31.7 34 40 A F < + 0 0 2 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.598 69.7 148.6 72.7 16.1 45.7 25.5 31.3 35 41 A N - 0 0 89 1,-0.1 -4,-2.4 2,-0.0 -1,-0.3 -0.693 55.6-113.3 -74.6 126.7 47.8 27.9 29.3 36 42 A V B +D 30 0A 73 -2,-0.5 -6,-0.3 -6,-0.2 -1,-0.1 -0.454 47.3 161.1 -64.9 123.4 45.6 29.8 26.9 37 43 A I + 0 0 96 -8,-2.4 -7,-0.2 -2,-0.3 2,-0.2 0.487 53.6 64.4-120.4 -11.6 46.6 28.8 23.3 38 44 A G S S- 0 0 23 -9,-1.8 3,-0.0 1,-0.0 -10,-0.0 -0.570 82.2-106.1-107.3 172.0 43.5 29.9 21.4 39 45 A E - 0 0 150 -2,-0.2 -10,-0.3 1,-0.1 -2,-0.1 -0.702 51.7 -86.8 -88.8 151.0 41.7 33.2 20.6 40 46 A P - 0 0 63 0, 0.0 2,-0.7 0, 0.0 -12,-0.2 -0.363 39.1-151.8 -56.3 132.7 38.5 34.0 22.5 41 47 A E E +C 27 0A 58 -14,-2.9 -14,-1.8 2,-0.0 2,-0.4 -0.914 27.8 160.2-111.2 102.7 35.5 32.5 20.6 42 48 A V E +C 26 0A 52 -2,-0.7 2,-0.3 -16,-0.2 -16,-0.2 -0.984 6.2 149.3-128.2 122.1 32.4 34.6 21.3 43 49 A F E -C 25 0A 10 -18,-2.2 -18,-2.8 -2,-0.4 2,-0.2 -0.988 31.2-126.7-152.9 162.5 29.3 34.6 19.1 44 50 A Y E -C 24 0A 40 27,-0.4 29,-1.6 -2,-0.3 2,-0.5 -0.657 11.9-134.0-111.2 159.8 25.6 35.1 19.2 45 51 A C B -f 73 0B 1 -22,-2.1 29,-0.2 27,-0.3 27,-0.1 -0.967 18.8-132.0-116.3 121.4 22.5 33.1 18.0 46 52 A K - 0 0 94 27,-2.7 29,-0.4 -2,-0.5 2,-0.3 -0.547 25.0-133.8 -62.1 123.3 19.7 34.8 16.1 47 53 A P - 0 0 11 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.662 20.3-119.5 -79.8 137.6 16.4 33.7 17.7 48 54 A A > - 0 0 16 -2,-0.3 3,-0.9 1,-0.1 345,-0.1 -0.291 27.2-106.4 -69.1 163.1 13.6 32.6 15.3 49 55 A D T 3 S+ 0 0 63 1,-0.3 -1,-0.1 344,-0.1 344,-0.0 0.220 109.3 74.2 -83.8 18.1 10.4 34.5 15.2 50 56 A D T 3 S+ 0 0 4 364,-0.0 2,-0.4 343,-0.0 -1,-0.3 0.138 91.2 71.2-106.0 17.0 8.4 31.8 17.0 51 57 A Y < - 0 0 16 -3,-0.9 -31,-0.0 -4,-0.0 403,-0.0 -0.989 53.4-165.6-142.4 137.4 9.9 32.6 20.3 52 58 A L - 0 0 10 -2,-0.4 395,-0.0 402,-0.0 -3,-0.0 -0.988 33.2-119.2-115.1 137.8 9.9 35.1 23.1 53 59 A P - 0 0 2 0, 0.0 -39,-0.2 0, 0.0 3,-0.0 -0.298 30.2-100.0 -70.7 155.0 12.7 35.1 25.7 54 60 A Q >> - 0 0 72 -41,-2.8 4,-1.5 1,-0.2 3,-0.7 -0.641 29.5-138.9 -69.2 123.5 12.0 34.6 29.4 55 61 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.883 101.0 57.8 -54.4 -39.1 12.2 38.1 30.9 56 62 A G H 3> S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.853 103.0 53.2 -59.4 -38.3 14.1 36.8 33.9 57 63 A A H <> S+ 0 0 13 -3,-0.7 4,-2.6 -44,-0.3 3,-0.4 0.924 108.3 49.3 -62.7 -45.2 16.9 35.3 31.7 58 64 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.860 106.1 56.6 -65.6 -36.7 17.4 38.7 30.0 59 65 A L H < S+ 0 0 16 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.819 112.8 42.9 -62.2 -31.7 17.6 40.5 33.4 60 66 A I H < S+ 0 0 144 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.923 123.6 33.1 -77.1 -49.1 20.5 38.1 34.3 61 67 A T H < S- 0 0 33 -4,-2.6 -2,-0.2 -49,-0.2 -3,-0.2 0.769 88.5-140.3 -81.3 -31.6 22.5 38.1 31.0 62 68 A G < + 0 0 36 -4,-2.6 2,-0.7 -5,-0.3 -3,-0.1 0.574 61.0 128.5 75.0 10.3 21.8 41.7 29.9 63 69 A I - 0 0 10 -6,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.884 46.6-154.6-103.3 112.6 21.4 40.4 26.3 64 70 A T > - 0 0 23 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.399 27.2-117.2 -77.1 158.0 18.2 41.5 24.6 65 71 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.861 117.2 59.7 -62.6 -30.7 16.6 39.5 21.8 66 72 A Q H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.897 106.3 46.2 -60.5 -42.4 17.3 42.6 19.6 67 73 A E H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.922 113.4 46.7 -70.5 -45.8 21.1 42.3 20.2 68 74 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.895 114.6 49.5 -61.6 -39.5 21.3 38.5 19.6 69 75 A R H < S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.903 115.6 42.0 -64.0 -41.9 19.2 39.0 16.4 70 76 A A H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.779 126.7 31.3 -78.5 -28.3 21.4 41.9 15.2 71 77 A K H < S+ 0 0 124 -4,-2.2 -27,-0.4 -5,-0.1 -2,-0.2 0.590 107.0 86.4-103.2 -15.6 24.8 40.3 16.1 72 78 A G < - 0 0 16 -4,-1.9 2,-0.3 -5,-0.3 -27,-0.3 -0.209 63.3-135.8 -88.0 168.8 23.9 36.6 15.7 73 79 A E B -f 45 0B 88 -29,-1.6 -27,-2.7 1,-0.1 5,-0.1 -0.798 47.3 -79.4-108.2 166.5 23.9 34.0 12.9 74 80 A N > - 0 0 39 -2,-0.3 4,-2.4 -29,-0.2 3,-0.5 -0.160 46.7-104.0 -61.8 160.1 21.0 31.6 12.5 75 81 A E H > S+ 0 0 18 -29,-0.4 4,-3.1 1,-0.2 5,-0.2 0.831 120.8 60.4 -60.4 -32.2 21.0 28.6 14.8 76 82 A A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 111.0 39.5 -55.7 -47.9 22.3 26.3 11.9 77 83 A A H > S+ 0 0 27 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.851 114.0 54.6 -71.8 -38.1 25.4 28.5 11.6 78 84 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.940 110.0 47.4 -57.1 -49.8 25.7 28.8 15.4 79 85 A A H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.903 109.0 54.6 -58.0 -45.5 25.6 25.0 15.7 80 86 A A H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.905 108.5 48.2 -57.1 -44.7 28.2 24.6 12.9 81 87 A R H X S+ 0 0 97 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.918 114.8 44.5 -63.6 -45.0 30.7 26.9 14.7 82 88 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 112.2 52.2 -66.1 -44.5 30.2 25.1 18.0 83 89 A H H X S+ 0 0 47 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.879 106.8 54.0 -59.5 -39.4 30.5 21.6 16.4 84 90 A S H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.7 42.9 -63.6 -39.9 33.7 22.6 14.7 85 91 A L H >< S+ 0 0 22 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.898 114.7 49.7 -70.4 -41.3 35.3 23.6 18.0 86 92 A F H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.703 107.0 54.8 -74.7 -21.6 33.9 20.6 19.9 87 93 A T T 3< + 0 0 32 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.330 69.9 121.7-102.9 7.9 35.1 18.0 17.4 88 94 A V S X S- 0 0 46 -3,-0.9 3,-0.8 -4,-0.2 -3,-0.0 -0.548 77.0-100.4 -62.2 129.1 38.8 18.9 17.2 89 95 A P T 3 S+ 0 0 45 0, 0.0 36,-0.2 0, 0.0 35,-0.1 -0.201 99.6 19.1 -59.6 149.5 40.5 15.6 18.3 90 96 A K T 3 S+ 0 0 67 34,-2.7 -86,-2.4 1,-0.2 2,-0.5 0.772 87.1 150.2 65.0 31.6 41.8 15.1 21.8 91 97 A T E < -a 4 0A 0 -3,-0.8 36,-2.2 -88,-0.2 2,-0.7 -0.826 39.7-154.4 -96.7 127.6 39.6 17.9 23.3 92 98 A C E -ae 5 127A 5 -88,-2.7 -86,-2.8 -2,-0.5 2,-0.6 -0.916 18.5-154.5 -92.5 110.8 38.3 17.8 26.8 93 99 A I E +ae 6 128A 0 34,-2.9 36,-1.5 -2,-0.7 2,-0.3 -0.790 29.1 154.6 -90.0 121.4 35.1 20.0 26.6 94 100 A L E +ae 7 129A 0 -88,-2.2 -86,-1.7 -2,-0.6 2,-0.2 -0.947 15.6 151.3-146.2 163.2 34.3 21.5 30.0 95 101 A G E - 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0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.183 32.7-106.7 -61.1 162.7 18.1 4.3 13.2 354 374 A D H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.887 123.3 50.8 -58.6 -39.9 21.4 4.1 11.3 355 375 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 108.8 49.8 -64.3 -45.8 19.5 4.8 8.1 356 376 A D H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.895 111.5 48.9 -62.2 -40.8 17.7 7.8 9.5 357 377 A R H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 53.0 -63.5 -42.6 21.0 9.3 10.8 358 378 A A H X S+ 0 0 56 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.899 111.6 46.5 -57.9 -42.3 22.6 8.7 7.3 359 379 A A H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.894 110.3 52.1 -66.8 -42.3 19.6 10.6 5.8 360 380 A M H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.843 104.5 58.0 -63.9 -32.3 19.9 13.4 8.4 361 381 A K H X S+ 0 0 116 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.881 103.7 52.0 -63.8 -38.3 23.6 13.7 7.5 362 382 A I H X S+ 0 0 75 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.921 107.4 52.1 -63.5 -43.0 22.6 14.4 3.9 363 383 A V H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.947 111.1 48.9 -54.0 -48.9 20.3 17.2 5.1 364 384 A L H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 -250,-0.2 -2,-0.2 0.875 115.9 41.1 -59.1 -40.3 23.2 18.7 7.0 365 385 A E H 3< S+ 0 0 140 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.502 95.1 96.1 -97.0 -3.3 25.6 18.5 4.1 366 386 A T S << S- 0 0 32 -4,-1.4 5,-0.1 -3,-0.6 8,-0.0 -0.653 87.7-102.7 -82.7 139.1 23.2 19.7 1.4 367 387 A E > - 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0 0 47 -2,-0.4 -22,-0.0 1,-0.1 -2,-0.0 -0.922 13.7-176.3-119.5 149.9 12.9 9.2 6.8 379 399 A V + 0 0 94 -2,-0.3 -1,-0.1 -26,-0.1 -27,-0.0 0.780 62.4 87.7-104.0 -50.4 11.2 6.6 9.0 380 400 A D S > S- 0 0 37 1,-0.1 3,-1.1 2,-0.1 4,-0.5 -0.288 74.3-138.7 -58.2 129.6 11.4 8.4 12.5 381 401 A K T 3> S+ 0 0 178 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.706 95.8 64.3 -69.0 -21.8 8.3 10.5 12.8 382 402 A R H 3> S+ 0 0 11 1,-0.2 4,-2.6 2,-0.1 3,-0.4 0.820 87.9 70.9 -66.9 -32.5 10.2 13.4 14.5 383 403 A I H <> S+ 0 0 0 -3,-1.1 4,-3.3 1,-0.2 5,-0.2 0.853 89.2 56.7 -64.5 -41.6 12.3 14.1 11.4 384 404 A E H > S+ 0 0 107 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 0.919 115.3 39.4 -51.6 -48.3 9.5 15.6 9.1 385 405 A K H X S+ 0 0 56 -4,-0.6 4,-2.8 -3,-0.4 5,-0.3 0.897 113.8 53.9 -73.1 -39.8 8.8 18.3 11.7 386 406 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 111.3 47.3 -55.6 -45.4 12.5 18.7 12.6 387 407 A L H X S+ 0 0 37 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.881 111.8 48.8 -67.8 -41.1 13.2 19.4 8.9 388 408 A F H X S+ 0 0 10 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.955 114.2 45.2 -62.0 -50.6 10.3 21.8 8.5 389 409 A N H X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.912 111.8 54.1 -57.3 -43.5 11.3 23.8 11.7 390 410 A Y H X S+ 0 0 19 -4,-2.6 4,-2.0 -5,-0.3 5,-0.4 0.934 114.3 39.4 -57.0 -49.7 14.9 23.8 10.6 391 411 A R H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 7,-0.2 0.930 118.1 47.2 -68.9 -46.1 14.1 25.3 7.2 392 412 A A H < S+ 0 0 3 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.887 118.0 41.1 -66.7 -38.9 11.4 27.7 8.4 393 413 A R H < S+ 0 0 33 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.893 129.0 26.6 -75.3 -41.3 13.6 29.0 11.3 394 414 A N H < S+ 0 0 15 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.814 133.5 26.0 -93.5 -35.2 16.9 29.2 9.5 395 415 A F >< + 0 0 34 -4,-2.4 3,-2.1 -5,-0.4 4,-0.2 -0.457 62.0 156.1-132.9 58.1 16.1 29.7 5.8 396 416 A P G > S+ 0 0 80 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.742 70.5 68.8 -63.8 -22.5 12.6 31.4 5.6 397 417 A G G 3 S+ 0 0 80 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.536 94.4 58.9 -69.5 -6.3 13.4 32.8 2.1 398 418 A T G < S+ 0 0 42 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.2 0.419 82.2 105.5-103.3 -2.6 13.3 29.2 0.8 399 419 A L < - 0 0 13 -3,-1.3 2,-0.1 -4,-0.2 0, 0.0 -0.600 61.4-140.4 -80.4 139.0 9.7 28.4 1.9 400 420 A D > - 0 0 90 -2,-0.3 4,-2.7 1,-0.0 5,-0.2 -0.289 38.7 -87.0 -84.6-180.0 6.9 28.3 -0.7 401 421 A Y H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 128.0 48.5 -59.2 -47.8 3.5 29.8 -0.1 402 422 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 113.0 49.7 -58.3 -40.7 2.0 26.6 1.6 403 423 A E H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 108.4 52.3 -67.4 -41.6 5.1 26.4 3.8 404 424 A Q H X S+ 0 0 90 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.905 109.9 49.6 -56.5 -44.7 4.8 30.1 4.8 405 425 A Q H X S+ 0 0 86 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.867 108.9 52.2 -64.5 -36.8 1.1 29.4 5.8 406 426 A R H X S+ 0 0 100 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 110.4 48.5 -63.1 -43.6 2.2 26.4 7.8 407 427 A W H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.885 107.9 54.4 -64.1 -41.0 4.8 28.6 9.6 408 428 A L H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.889 109.7 47.6 -59.2 -41.6 2.1 31.3 10.3 409 429 A E H X S+ 0 0 76 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.890 109.2 54.1 -65.7 -42.3 -0.1 28.7 11.9 410 430 A H H X S+ 0 0 36 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.933 110.3 46.4 -54.9 -49.4 2.8 27.4 14.0 411 431 A R H >X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 3,-0.8 0.911 109.7 54.3 -62.1 -43.5 3.5 30.9 15.3 412 432 A R H 3< S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 106.4 52.1 -56.5 -38.9 -0.2 31.4 16.0 413 433 A Q H 3< S+ 0 0 117 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.660 112.4 45.5 -77.5 -17.7 -0.2 28.2 18.1 414 434 A V H << S+ 0 0 51 -4,-0.9 2,-2.0 -3,-0.8 -2,-0.2 0.885 108.1 56.4 -81.8 -50.5 2.7 29.4 20.2 415 435 A F S < S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.407 80.6 167.7 -86.0 62.1 1.5 32.9 20.8 416 436 A T > - 0 0 54 -2,-2.0 4,-2.4 -3,-0.3 5,-0.2 -0.194 51.6-104.2 -66.5 164.1 -1.9 31.9 22.4 417 437 A P H > S+ 0 0 115 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.891 123.2 50.3 -56.7 -41.8 -4.2 34.4 24.2 418 438 A E H > S+ 0 0 167 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.898 111.8 47.7 -64.1 -42.6 -3.0 33.0 27.5 419 439 A F H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 112.7 46.7 -64.0 -48.0 0.7 33.3 26.6 420 440 A L H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.897 113.7 47.2 -67.2 -42.3 0.5 36.8 25.3 421 441 A Q H X S+ 0 0 113 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.940 112.8 50.2 -61.5 -48.1 -1.5 38.2 28.2 422 442 A G H X S+ 0 0 36 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.870 109.6 51.5 -57.1 -40.0 0.9 36.4 30.7 423 443 A Y H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.943 111.6 45.1 -65.8 -48.4 3.9 37.9 28.9 424 444 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.913 113.7 51.5 -59.6 -43.1 2.5 41.5 29.0 425 445 A D H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.893 109.3 49.8 -60.6 -42.4 1.5 41.0 32.7 426 446 A E H X S+ 0 0 73 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.904 109.9 49.6 -66.0 -43.8 5.0 39.7 33.6 427 447 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.915 112.8 47.0 -60.7 -44.2 6.8 42.6 32.0 428 448 A Q H X S+ 0 0 97 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.884 113.6 49.1 -66.4 -40.1 4.6 45.2 33.8 429 449 A M H >X S+ 0 0 101 -4,-2.3 4,-2.7 -5,-0.2 3,-0.6 0.950 112.0 48.3 -60.8 -49.1 5.0 43.4 37.1 430 450 A L H 3X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.837 105.4 56.9 -65.3 -34.9 8.8 43.3 36.7 431 451 A V H 3< S+ 0 0 27 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.802 113.0 42.6 -69.0 -26.0 9.1 47.0 35.8 432 452 A Q H X< S+ 0 0 133 -4,-1.1 3,-1.3 -3,-0.6 -2,-0.2 0.902 114.0 50.7 -78.2 -47.5 7.4 47.8 39.1 433 453 A Q H 3< S+ 0 0 106 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.866 122.9 31.6 -55.5 -40.6 9.4 45.2 41.0 434 454 A Y T >< S+ 0 0 75 -4,-2.6 3,-2.4 -5,-0.2 7,-0.3 0.007 78.5 127.8-111.5 26.8 12.7 46.5 39.6 435 455 A A T < S+ 0 0 48 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.780 74.1 53.8 -54.8 -31.6 11.6 50.2 39.3 436 456 A D T 3 S+ 0 0 133 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.486 92.8 80.6 -84.3 -5.1 14.7 51.3 41.2 437 457 A D <> - 0 0 56 -3,-2.4 4,-2.4 1,-0.2 5,-0.2 -0.869 60.7-171.6-106.8 100.7 17.1 49.4 38.9 438 458 A K H > S+ 0 0 150 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.828 83.3 52.7 -64.8 -36.2 17.6 51.6 35.8 439 459 A E H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 112.3 45.1 -64.1 -46.0 19.4 48.9 33.8 440 460 A K H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.895 109.7 55.3 -66.2 -40.3 16.7 46.4 34.4 441 461 A V H X S+ 0 0 28 -4,-2.4 4,-2.1 -7,-0.3 -1,-0.2 0.940 109.5 47.5 -57.1 -45.6 13.9 48.9 33.6 442 462 A A H X S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.866 111.0 51.0 -65.2 -36.4 15.6 49.6 30.2 443 463 A L H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.903 109.2 51.2 -65.6 -40.4 16.0 45.9 29.5 444 464 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.865 107.5 51.9 -67.7 -36.7 12.3 45.3 30.2 445 465 A K H X S+ 0 0 113 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 109.2 51.4 -62.8 -41.5 11.3 48.2 27.8 446 466 A A H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 109.0 50.7 -58.5 -44.8 13.5 46.4 25.2 447 467 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.887 109.6 50.1 -61.8 -41.2 11.6 43.2 25.9 448 468 A W H X S+ 0 0 107 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 110.8 49.6 -60.2 -45.7 8.3 44.9 25.5 449 469 A Q H X S+ 0 0 127 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.885 111.0 48.9 -63.5 -40.4 9.3 46.4 22.2 450 470 A Y H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.920 111.1 49.9 -64.5 -45.1 10.5 43.0 20.8 451 471 A A H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.879 107.8 54.8 -60.9 -40.4 7.3 41.3 21.9 452 472 A D H < S+ 0 0 105 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.919 114.4 40.7 -56.7 -46.5 5.3 44.1 20.1 453 473 A E H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.969 120.7 39.9 -67.1 -56.4 7.2 43.5 16.9 454 474 A I H < 0 0 9 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.759 360.0 360.0 -68.5 -24.2 7.3 39.7 17.0 455 475 A V < 0 0 97 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.088 360.0 360.0 42.0 360.0 3.7 39.7 18.3