==== 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 24-APR-00 1EW9 . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.M.HOLTZ,B.STEC,J.K.MEYERS,S.M.ANTONELLI,T.S.WIDLANSKI, . 898 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 52 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 4 3 1 8 2 0 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 6 0 5 1 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 . 8 6 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 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 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 T 0 0 144 0, 0.0 2,-3.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 115.6 65.6 55.7 9.6 2 2 A P + 0 0 85 0, 0.0 356,-0.1 0, 0.0 355,-0.1 -0.368 360.0 173.5 -72.9 69.0 65.2 52.1 10.9 3 3 A E S S+ 0 0 102 -2,-3.0 354,-0.1 354,-0.5 355,-0.1 0.924 80.4 28.2 -36.3 -56.9 68.0 50.8 8.6 4 4 A M S S- 0 0 7 -3,-0.3 2,-0.2 353,-0.2 32,-0.1 -0.890 100.5-119.9-108.9 135.0 67.4 47.6 10.6 5 5 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 418,-0.1 -0.465 14.6-152.9 -81.0 148.8 64.0 46.9 12.0 6 6 A V - 0 0 19 -2,-0.2 2,-0.9 72,-0.1 72,-0.2 -0.712 43.1 -90.0-105.2 159.4 63.0 46.5 15.7 7 7 A L - 0 0 19 70,-2.6 3,-0.2 -2,-0.3 69,-0.0 -0.644 41.7-168.6 -74.9 107.4 59.9 44.4 16.5 8 8 A E - 0 0 173 -2,-0.9 2,-0.2 1,-0.2 -1,-0.2 0.849 67.5 -4.6 -69.4 -33.6 57.2 47.1 16.5 9 9 A N + 0 0 75 -3,-0.1 -1,-0.2 15,-0.1 64,-0.0 -0.653 51.1 161.9-169.2 111.0 54.5 44.9 18.1 10 10 A R + 0 0 9 -3,-0.2 2,-0.2 -2,-0.2 15,-0.1 -0.220 40.9 125.9-119.3 38.8 54.3 41.3 19.1 11 11 A A S S- 0 0 19 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.510 81.5 -68.8 -82.4 171.6 51.3 41.5 21.5 12 12 A A - 0 0 21 57,-3.4 12,-0.2 1,-0.2 10,-0.2 -0.264 48.3-139.4 -55.0 136.6 48.4 39.1 20.8 13 13 A Q - 0 0 85 10,-2.2 9,-0.2 7,-0.3 -1,-0.2 0.744 65.7 -22.8 -79.9 -16.0 46.8 40.4 17.6 14 14 A G S S- 0 0 43 7,-2.7 2,-0.7 9,-0.2 7,-0.1 -0.526 107.6 -5.7-154.7-136.7 43.2 40.0 18.6 15 15 A D > - 0 0 99 -2,-0.2 3,-1.6 1,-0.2 6,-0.4 -0.720 54.6-149.3 -79.2 116.6 40.7 38.2 20.8 16 16 A I T 3 S+ 0 0 29 -2,-0.7 548,-0.4 1,-0.3 6,-0.2 0.555 92.8 56.9 -63.4 -12.7 42.7 35.6 22.7 17 17 A T T 3 S+ 0 0 23 4,-0.1 557,-0.4 546,-0.1 -1,-0.3 0.597 97.7 75.3 -96.1 -7.3 39.8 33.2 22.9 18 18 A A S X S- 0 0 36 -3,-1.6 3,-2.0 1,-0.1 4,-0.4 -0.631 100.2 -75.0-102.8 160.0 39.2 33.0 19.1 19 19 A P T 3 S- 0 0 72 0, 0.0 544,-0.2 0, 0.0 -4,-0.1 -0.290 115.9 -3.1 -55.9 123.0 41.1 31.2 16.4 20 20 A G T > S+ 0 0 16 542,-1.9 3,-1.1 -4,-0.1 -7,-0.3 0.353 97.2 113.5 75.5 -0.1 44.3 33.1 15.7 21 21 A G T < S+ 0 0 8 -3,-2.0 -7,-2.7 -6,-0.4 -5,-0.2 0.637 73.1 56.3 -78.3 -9.9 43.7 35.9 18.1 22 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 540,-0.3 865,-0.2 0.414 81.1 123.3 -98.2 -0.2 46.6 35.0 20.4 23 23 A R < - 0 0 66 -3,-1.1 -10,-2.2 863,-0.1 -9,-0.2 -0.316 46.4-165.1 -60.2 136.1 49.0 35.1 17.5 24 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 860,-0.1 -1,-0.1 0.607 71.6 66.6 -98.2 -16.0 52.0 37.5 18.0 25 25 A L - 0 0 8 -15,-0.1 -12,-0.1 1,-0.1 3,-0.1 -0.763 55.4-167.0-105.1 153.5 52.9 37.4 14.3 26 26 A T S S- 0 0 112 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.375 73.3 -19.2-117.9 -0.1 51.0 38.8 11.3 27 27 A G S S- 0 0 36 851,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.958 95.6 -35.6 176.6-176.0 53.0 37.1 8.6 28 28 A D - 0 0 71 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.394 40.5-155.9 -66.4 140.6 56.3 35.3 7.7 29 29 A Q > + 0 0 27 846,-0.2 4,-2.4 1,-0.1 5,-0.3 0.428 63.3 101.5 -98.5 -2.1 59.4 36.7 9.3 30 30 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 83.5 44.1 -50.8 -55.7 62.1 35.6 6.9 31 31 A A H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 113.3 51.1 -61.2 -41.6 62.7 38.9 5.1 32 32 A A H 4 S+ 0 0 38 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.885 110.6 48.1 -66.1 -37.0 62.7 41.0 8.3 33 33 A L H >< S+ 0 0 4 -4,-2.4 3,-1.8 2,-0.2 4,-0.5 0.928 109.2 53.7 -69.6 -37.4 65.2 38.7 10.0 34 34 A R H >< S+ 0 0 90 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.959 107.0 53.3 -57.6 -43.6 67.4 39.0 6.8 35 35 A D T 3< S+ 0 0 102 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.578 101.5 60.4 -66.7 -5.0 67.0 42.7 7.3 36 36 A S T < S+ 0 0 6 -3,-1.8 2,-0.7 -4,-0.2 387,-0.3 0.546 84.5 95.8-101.5 -2.0 68.3 42.4 10.8 37 37 A L < + 0 0 12 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.1 -0.834 43.3 150.7 -95.4 112.4 71.7 40.9 9.7 38 38 A S - 0 0 8 -2,-0.7 387,-2.6 385,-0.3 389,-0.3 -0.998 29.3-171.0-137.8 132.8 74.6 43.3 9.4 39 39 A D + 0 0 80 -2,-0.3 3,-0.1 385,-0.2 -1,-0.0 0.200 48.6 127.5-106.0 13.7 78.3 42.6 9.8 40 40 A K S S- 0 0 104 1,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.270 72.8 -91.3 -60.9 161.1 79.2 46.3 9.6 41 41 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 405,-0.2 -0.430 38.6-129.3 -70.1 152.2 81.4 47.6 12.5 42 42 A A - 0 0 9 403,-2.1 320,-0.2 1,-0.1 3,-0.1 -0.832 12.8-162.7 -99.0 143.6 79.4 49.0 15.4 43 43 A K S S+ 0 0 66 318,-2.7 274,-0.5 -2,-0.4 2,-0.3 0.776 75.6 23.9 -89.4 -40.1 80.4 52.5 16.7 44 44 A N E -ab 317 362A 3 317,-1.5 319,-3.0 272,-0.2 2,-0.4 -0.951 61.5-157.4-130.1 158.2 78.6 52.1 20.0 45 45 A I E -ab 318 363A 0 272,-2.0 274,-2.4 -2,-0.3 2,-0.5 -0.989 1.9-169.5-133.8 132.7 77.4 49.5 22.3 46 46 A I E -ab 319 364A 0 317,-2.7 319,-2.2 -2,-0.4 2,-0.6 -0.990 10.0-166.5-123.7 111.5 74.7 49.6 25.0 47 47 A L E -ab 320 365A 0 272,-3.0 274,-3.2 -2,-0.5 2,-0.6 -0.949 4.4-164.5-102.2 113.0 74.7 46.6 27.2 48 48 A L E -ab 321 366A 0 317,-3.1 319,-2.4 -2,-0.6 2,-0.5 -0.899 4.2-168.0-106.3 121.5 71.6 46.3 29.3 49 49 A I E -ab 322 367A 0 272,-3.2 274,-2.6 -2,-0.6 2,-0.7 -0.917 16.3-166.5-115.1 121.9 71.6 44.0 32.3 50 50 A G E > -a 323 0A 0 317,-2.6 3,-1.6 -2,-0.5 319,-0.4 -0.913 32.3-133.0 -95.7 107.3 68.6 42.9 34.3 51 51 A D T 3 S- 0 0 1 272,-2.0 276,-1.0 -2,-0.7 277,-0.1 -0.588 87.8 -1.0 -68.0 125.5 70.3 41.4 37.3 52 52 A G T 3 S+ 0 0 0 -2,-0.4 2,-1.4 318,-0.2 -1,-0.3 0.612 93.2 144.7 74.0 11.4 68.6 38.0 38.0 53 53 A M < + 0 0 4 -3,-1.6 -3,-0.2 314,-0.1 -1,-0.2 -0.544 18.2 160.4 -89.1 73.5 66.3 38.5 35.1 54 54 A G > - 0 0 2 -2,-1.4 4,-2.0 316,-0.1 5,-0.2 -0.089 61.0 -82.4 -78.9 179.7 65.8 35.1 33.6 55 55 A D H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 811,-0.6 0.873 129.6 55.9 -54.6 -35.2 62.9 34.1 31.4 56 56 A S H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 107.0 47.5 -63.5 -48.0 60.7 33.5 34.4 57 57 A E H > S+ 0 0 2 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.832 112.8 49.4 -62.7 -36.1 61.2 37.0 35.7 58 58 A I H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 113.5 46.7 -70.6 -44.9 60.5 38.5 32.3 59 59 A T H X S+ 0 0 3 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.946 111.7 50.5 -58.9 -51.6 57.3 36.4 31.9 60 60 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.930 113.9 44.4 -53.2 -49.7 56.1 37.2 35.4 61 61 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.5 0.867 112.8 52.4 -66.0 -35.5 56.5 40.9 34.9 62 62 A R H X>S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-1.3 0.978 109.5 48.0 -66.9 -48.8 55.0 40.8 31.5 63 63 A N H <5S+ 0 0 6 -4,-3.2 330,-0.5 3,-0.2 331,-0.5 0.894 117.1 43.2 -54.7 -43.1 51.8 39.0 32.7 64 64 A Y H <5S+ 0 0 21 -4,-2.1 329,-2.2 -5,-0.2 -1,-0.2 0.961 125.6 28.6 -67.2 -56.3 51.4 41.4 35.5 65 65 A A H <5S+ 0 0 23 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.794 137.6 17.4 -79.7 -41.2 52.1 44.7 33.8 66 66 A E T <5S- 0 0 66 -4,-3.0 -3,-0.2 -5,-0.5 -2,-0.1 0.479 107.0-110.5-111.6 -6.4 51.1 44.1 30.1 67 67 A G > < - 0 0 0 -5,-1.3 3,-2.0 -4,-0.3 -3,-0.2 0.032 41.6 -73.8 89.4 152.9 48.9 41.0 30.4 68 68 A A T 3 S+ 0 0 0 -5,-0.3 -1,-0.2 1,-0.3 469,-0.1 0.870 137.4 42.2 -51.2 -39.8 49.8 37.5 29.2 69 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-3.4 -3,-0.1 -1,-0.3 0.360 98.4 103.5 -93.5 9.0 49.2 38.6 25.6 70 70 A G < - 0 0 10 -3,-2.0 2,-0.3 -59,-0.2 -3,-0.1 -0.033 61.3-138.5 -76.7-171.1 50.9 41.9 26.1 71 71 A F - 0 0 8 -60,-0.1 2,-0.8 -5,-0.1 -60,-0.1 -0.983 12.5-125.2-156.8 132.9 54.4 42.9 24.9 72 72 A F > - 0 0 0 -2,-0.3 4,-1.4 1,-0.1 5,-0.5 -0.815 18.9-148.4 -86.6 113.0 57.3 44.8 26.4 73 73 A K T 4 S+ 0 0 130 -2,-0.8 -1,-0.1 3,-0.2 -66,-0.0 0.615 94.4 26.5 -58.5 -16.6 58.1 47.6 24.0 74 74 A G T >4 S+ 0 0 0 3,-0.1 3,-1.5 2,-0.0 4,-0.4 0.770 125.2 39.6-102.5 -77.4 61.7 47.4 25.1 75 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 -2,-0.1 0.818 123.7 37.8 -45.8 -48.9 62.5 44.0 26.4 76 76 A D G 3< S+ 0 0 0 -4,-1.4 806,-0.4 1,-0.2 -1,-0.3 0.537 99.9 79.1 -86.2 -8.7 60.5 42.0 23.9 77 77 A A G < + 0 0 1 -3,-1.5 -70,-2.6 -5,-0.5 -1,-0.2 0.552 62.4 103.8 -80.6 -9.1 61.3 44.2 20.9 78 78 A L < - 0 0 0 -3,-0.6 804,-0.2 -4,-0.4 344,-0.2 -0.595 58.7-155.7 -77.7 126.3 64.8 42.9 20.1 79 79 A P S S+ 0 0 2 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.681 70.2 67.1 -80.8 -17.8 64.6 40.7 17.1 80 80 A L E +C 421 0A 2 341,-1.6 341,-2.4 800,-0.1 2,-0.3 -0.924 67.7 175.9-110.4 118.4 67.6 38.4 17.5 81 81 A T E +C 420 0A 0 -2,-0.6 350,-0.7 450,-0.5 450,-0.5 -0.942 11.2 149.9-127.2 152.6 67.4 36.0 20.4 82 82 A G E -Cd 419 431A 0 337,-2.1 337,-2.1 -2,-0.3 2,-0.4 -0.810 38.0-106.1-154.5-171.3 69.2 33.2 22.0 83 83 A Q E -Cd 418 432A 1 348,-2.1 350,-1.7 335,-0.2 2,-0.3 -0.989 31.5-165.6-131.3 139.4 70.0 31.4 25.3 84 84 A Y E -Cd 417 433A 0 333,-2.3 333,-1.7 -2,-0.4 2,-0.3 -0.898 14.5-129.6-128.5 159.2 73.3 31.6 27.1 85 85 A T E - d 0 434A 6 348,-1.3 350,-2.3 -2,-0.3 351,-0.2 -0.818 16.7-179.2-109.7 144.6 75.1 29.8 29.9 86 86 A H + 0 0 2 -2,-0.3 14,-0.2 328,-0.3 22,-0.1 0.087 20.6 153.2-135.5 29.4 76.7 31.5 33.0 87 87 A Y - 0 0 10 431,-0.1 11,-0.2 327,-0.1 2,-0.1 -0.248 30.2-147.0 -60.6 150.5 78.2 28.8 35.2 88 88 A A E -J 97 0B 2 9,-2.2 9,-2.6 26,-0.1 2,-0.3 -0.204 15.2-107.4-100.1-169.2 81.1 29.8 37.3 89 89 A L E -Jk 96 116B 1 26,-1.9 28,-0.7 7,-0.3 2,-0.5 -0.940 20.8-114.1-126.6 153.6 84.2 27.8 38.4 90 90 A N > - 0 0 36 5,-3.0 4,-2.7 -2,-0.3 5,-0.1 -0.754 26.3-142.3 -81.9 126.2 85.3 26.3 41.7 91 91 A K T 4 S+ 0 0 84 -2,-0.5 -1,-0.2 2,-0.2 25,-0.0 0.917 96.7 42.6 -54.5 -48.6 88.4 28.3 42.8 92 92 A K T 4 S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.946 127.0 25.5 -66.0 -54.7 90.1 25.2 44.1 93 93 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.698 87.6-135.8 -86.9 -26.0 89.3 22.6 41.5 94 94 A G < + 0 0 12 -4,-2.7 -3,-0.1 1,-0.3 372,-0.1 0.539 62.9 128.9 79.3 3.4 88.8 24.7 38.4 95 95 A K S S- 0 0 89 1,-0.1 -5,-3.0 -5,-0.1 -1,-0.3 -0.459 70.8 -76.3 -86.7 163.7 85.7 22.7 37.6 96 96 A P E -J 89 0B 8 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.327 32.9-155.3 -61.5 141.6 82.4 24.2 36.8 97 97 A D E -J 88 0B 37 -9,-2.6 -9,-2.2 1,-0.1 751,-0.1 -0.997 16.3-146.3-113.4 108.5 80.3 25.6 39.7 98 98 A Y S S+ 0 0 6 -2,-0.5 2,-0.5 749,-0.4 -12,-0.2 0.663 78.5 50.9 -56.0 -28.3 76.8 25.4 38.3 99 99 A V S S- 0 0 10 -12,-0.1 -1,-0.2 728,-0.1 315,-0.1 -0.931 75.5-157.0-122.5 109.3 75.2 28.4 40.0 100 100 A T - 0 0 3 -2,-0.5 2,-0.1 -14,-0.2 312,-0.1 -0.308 8.5-135.0 -76.6 156.5 77.1 31.7 39.7 101 101 A D > - 0 0 23 -2,-0.1 4,-1.2 311,-0.0 5,-0.2 -0.418 38.9 -95.2 -97.2-178.1 77.0 34.8 41.8 102 102 A S H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.790 119.3 54.2 -71.8 -30.4 76.7 38.4 40.4 103 103 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 18,-0.3 0.919 107.0 46.4 -71.3 -48.4 80.5 39.0 40.5 104 104 A A H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 11,-0.2 0.863 114.6 48.0 -66.2 -34.9 81.7 35.9 38.6 105 105 A S H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.3 0.895 111.5 48.8 -73.2 -40.7 79.1 36.4 35.8 106 106 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.952 109.9 52.6 -63.1 -38.5 79.9 40.1 35.4 107 107 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 12,-0.3 6,-0.6 0.869 106.0 57.4 -60.2 -39.0 83.6 39.3 35.3 108 108 A A H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 331,-0.2 0.931 112.8 35.1 -61.2 -51.4 82.8 36.8 32.5 109 109 A W H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 119.3 54.1 -77.3 -20.7 81.1 39.1 30.1 110 110 A S H < S+ 0 0 0 -4,-2.0 22,-2.3 -5,-0.3 -2,-0.2 0.746 128.0 10.9 -84.7 -17.9 83.5 41.9 31.1 111 111 A T H < S- 0 0 8 -4,-1.7 -3,-0.2 -3,-0.2 -2,-0.2 0.538 94.5-117.1-135.4 -13.3 86.8 40.2 30.5 112 112 A G S < S+ 0 0 1 -4,-1.8 358,-2.2 -5,-0.5 2,-0.4 0.555 78.6 108.2 84.7 11.3 86.1 37.0 28.7 113 113 A V - 0 0 1 -6,-0.6 -1,-0.2 356,-0.2 -2,-0.2 -0.961 66.7-127.2-124.8 137.7 87.3 34.7 31.4 114 114 A K + 0 0 5 352,-0.5 10,-0.4 -2,-0.4 2,-0.3 -0.441 37.8 171.6 -70.4 154.2 85.4 32.5 33.7 115 115 A T - 0 0 1 -11,-0.2 -26,-1.9 8,-0.2 2,-0.2 -0.857 32.3 -74.0-150.7-176.6 86.2 32.9 37.4 116 116 A Y B > -k 89 0B 15 -2,-0.3 3,-2.2 -28,-0.2 -26,-0.1 -0.527 56.3 -87.2 -88.3 151.8 85.1 32.0 40.9 117 117 A N T 3 S+ 0 0 54 -28,-0.7 -1,-0.1 1,-0.2 -26,-0.1 -0.355 116.2 26.6 -60.0 129.0 82.1 33.2 42.8 118 118 A G T 3 S+ 0 0 14 1,-0.4 48,-2.0 -2,-0.1 -1,-0.2 0.105 93.5 121.9 106.4 -20.3 82.9 36.4 44.6 119 119 A A < - 0 0 0 -3,-2.2 2,-0.4 46,-0.2 -1,-0.4 -0.469 43.2-162.2 -77.5 147.7 85.7 37.5 42.2 120 120 A L B S-L 163 0C 0 43,-1.9 43,-2.0 -2,-0.2 3,-0.1 -0.948 71.4 -19.3-130.4 115.4 85.8 40.7 40.3 121 121 A G S S+ 0 0 0 -2,-0.4 8,-1.8 -18,-0.3 2,-0.3 0.686 113.1 97.9 66.1 22.9 88.0 41.3 37.3 122 122 A V B -M 128 0D 2 6,-0.2 -1,-0.2 41,-0.2 6,-0.2 -0.935 64.7-129.5-138.1 158.5 90.3 38.4 38.2 123 123 A D > - 0 0 9 4,-1.6 3,-1.5 -2,-0.3 -8,-0.2 -0.162 46.0 -82.5 -91.2-169.8 90.7 34.8 37.3 124 124 A I T 3 S+ 0 0 17 -10,-0.4 -9,-0.1 343,-0.3 -30,-0.0 0.708 132.8 52.2 -69.2 -18.7 91.0 31.7 39.5 125 125 A H T 3 S- 0 0 141 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.315 120.8-112.6 -97.4 7.7 94.7 32.4 40.0 126 126 A E < + 0 0 91 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.677 65.2 153.3 66.7 26.8 93.7 35.9 41.0 127 127 A K - 0 0 128 1,-0.1 -4,-1.6 0, 0.0 -1,-0.3 -0.709 46.5-116.2 -86.7 138.2 95.3 37.4 38.0 128 128 A D B -M 122 0D 47 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.396 28.3-165.8 -65.9 136.9 93.9 40.8 36.8 129 129 A H - 0 0 16 -8,-1.8 -17,-0.1 -2,-0.1 -16,-0.0 -0.994 26.6-109.2-126.4 135.7 92.3 40.8 33.3 130 130 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.343 35.7-129.3 -60.7 145.5 91.5 44.0 31.4 131 131 A T > - 0 0 0 28,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.603 19.3-111.5 -97.3 158.7 87.8 44.9 31.1 132 132 A I H > S+ 0 0 0 -22,-2.3 4,-2.0 1,-0.2 5,-0.1 0.859 120.6 50.1 -51.5 -34.9 85.7 45.8 28.1 133 133 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.943 109.2 47.2 -70.8 -50.2 85.5 49.2 29.6 134 134 A E H > S+ 0 0 54 25,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.928 114.4 50.6 -57.7 -39.1 89.1 49.8 30.2 135 135 A M H X S+ 0 0 40 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.909 110.5 47.3 -66.5 -41.0 89.8 48.5 26.7 136 136 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 -5,-0.3 3,-0.4 0.956 111.4 50.9 -67.3 -43.1 87.3 50.9 25.2 137 137 A K H ><5S+ 0 0 55 -4,-3.1 3,-2.6 1,-0.2 -2,-0.2 0.965 108.3 54.1 -53.8 -50.8 88.7 53.8 27.1 138 138 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.0 52.6 -54.7 -32.9 92.1 52.8 25.9 139 139 A A T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.499 124.8-103.3 -84.4 -1.4 91.0 52.9 22.3 140 140 A G T < 5S+ 0 0 35 -3,-2.6 175,-0.3 -4,-0.4 -3,-0.2 0.522 75.7 135.6 91.9 13.4 89.6 56.4 22.8 141 141 A L < - 0 0 16 -5,-2.3 -1,-0.3 -6,-0.2 176,-0.2 -0.544 59.9-107.0 -86.8 158.1 85.9 55.6 23.1 142 142 A A E -e 317 0A 5 174,-2.5 176,-2.2 168,-0.3 2,-0.4 -0.538 35.9-147.9 -82.5 152.0 83.7 57.2 25.7 143 143 A T E -e 318 0A 0 174,-0.2 59,-1.9 -2,-0.2 58,-0.8 -0.985 13.2-170.3-129.1 134.8 82.6 54.9 28.5 144 144 A G E -ef 319 202A 0 174,-3.1 176,-1.4 -2,-0.4 2,-0.4 -0.940 7.0-175.1-124.8 145.8 79.5 54.8 30.6 145 145 A N E +ef 320 203A 0 57,-2.3 59,-2.2 -2,-0.4 2,-0.4 -0.928 15.8 171.0-142.3 107.1 78.6 52.8 33.7 146 146 A V E +ef 321 204A 0 174,-2.6 176,-2.2 -2,-0.4 2,-0.3 -0.956 4.3 151.4-124.5 134.7 75.0 53.1 35.0 147 147 A S E -e 322 0A 0 57,-2.5 176,-0.2 -2,-0.4 4,-0.1 -0.995 45.4-135.9-155.9 156.9 73.2 51.1 37.6 148 148 A T E S+ 0 0 7 174,-1.7 116,-3.0 -2,-0.3 2,-0.1 0.493 87.9 77.9 -88.4 -7.4 70.3 51.5 40.2 149 149 A A E S- 0 0 0 173,-0.2 57,-2.6 114,-0.2 -2,-0.1 -0.376 104.3 -70.1 -87.9 179.1 72.5 49.7 42.8 150 150 A E E > - f 0 206A 32 55,-0.2 3,-1.4 1,-0.2 57,-0.3 -0.510 47.8-124.8 -62.7 143.5 75.4 51.0 44.9 151 151 A L T 3 S+ 0 0 0 55,-1.8 -1,-0.2 1,-0.3 56,-0.1 0.587 110.6 62.2 -68.6 -15.7 78.3 51.5 42.4 152 152 A Q T 3 S+ 0 0 0 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.620 81.7 111.8 -82.0 -19.1 80.4 49.2 44.6 153 153 A D S <> S- 0 0 9 -3,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.116 85.8 -99.5 -55.7 151.8 78.0 46.4 43.9 154 154 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.839 112.2 53.5 -43.3 -53.2 79.2 43.4 41.8 155 155 A T H 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.939 117.4 31.0 -60.1 -54.7 77.7 44.4 38.4 156 156 A P H >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.849 116.7 60.1 -73.7 -28.6 79.0 47.9 37.9 157 157 A A H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-1.3 0.799 90.3 70.1 -68.7 -30.0 82.2 47.2 39.8 158 158 A A T 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.704 92.6 58.2 -61.0 -22.9 83.2 44.5 37.4 159 159 A L T <4 S+ 0 0 0 -3,-1.0 -25,-0.5 -4,-0.3 -1,-0.3 0.719 123.5 17.2 -81.3 -19.4 83.9 47.0 34.7 160 160 A V T <4 S+ 0 0 5 -3,-1.3 2,-0.4 -4,-0.4 38,-0.3 0.379 111.4 67.1-131.3 -2.8 86.4 49.0 36.7 161 161 A A < - 0 0 0 -4,-1.8 2,-0.5 2,-0.1 -1,-0.1 -0.985 47.1-164.6-131.3 145.7 87.7 47.0 39.7 162 162 A H + 0 0 11 -2,-0.4 2,-0.3 27,-0.2 -41,-0.2 -0.944 32.2 144.8-125.5 108.5 89.9 43.9 40.1 163 163 A V B -L 120 0C 0 -43,-2.0 -43,-1.9 -2,-0.5 -41,-0.2 -0.968 55.6-123.6-143.9 153.7 89.7 42.5 43.7 164 164 A T S S+ 0 0 31 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.651 99.4 36.2 -71.7 -20.7 89.8 39.0 45.2 165 165 A S > - 0 0 27 -46,-0.1 3,-2.1 -45,-0.1 -46,-0.2 -0.987 67.0-142.3-143.0 131.7 86.4 39.6 46.9 166 166 A R T 3 S+ 0 0 57 -48,-2.0 -47,-0.1 -2,-0.3 -1,-0.1 0.620 98.9 71.4 -60.4 -15.3 83.3 41.5 45.9 167 167 A K T 3 + 0 0 127 1,-0.2 2,-2.1 -49,-0.2 -1,-0.3 0.522 66.9 100.6 -79.0 -11.9 83.0 42.6 49.5 168 168 A a < + 0 0 0 -3,-2.1 23,-2.8 1,-0.2 24,-0.3 -0.354 41.1 151.3 -77.6 61.1 86.0 45.0 49.3 169 169 A Y - 0 0 49 -2,-2.1 23,-2.2 21,-0.2 24,-0.2 0.905 62.7 -10.8 -59.0 -56.3 84.0 48.1 48.9 170 170 A G S > S- 0 0 0 -3,-0.3 4,-2.2 21,-0.2 5,-0.2 -0.699 92.8 -65.9-134.7-168.8 86.2 50.7 50.4 171 171 A P H > S+ 0 0 5 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.870 122.9 53.4 -49.5 -48.4 89.5 50.9 52.4 172 172 A S H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.945 114.4 36.7 -60.9 -51.8 88.1 49.3 55.6 173 173 A A H >>S+ 0 0 19 2,-0.2 4,-3.9 1,-0.2 5,-0.5 0.886 116.3 56.5 -68.9 -36.4 86.7 46.1 54.2 174 174 A T H X5S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 8,-0.3 0.962 102.4 53.9 -61.2 -47.8 89.5 45.9 51.7 175 175 A S H <5S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 120.5 34.1 -52.0 -38.2 92.1 46.0 54.5 176 176 A E H <5S+ 0 0 146 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.829 131.7 25.4 -89.3 -33.9 90.3 43.1 56.1 177 177 A K H <5S+ 0 0 103 -4,-3.9 -3,-0.2 1,-0.2 -2,-0.2 0.768 130.7 31.9-105.9 -24.4 89.0 41.1 53.2 178 178 A a >X< + 0 0 0 -4,-2.4 3,-2.8 -5,-0.5 4,-1.4 -0.409 63.3 159.5-129.3 57.9 91.3 41.9 50.3 179 179 A P T 34 S+ 0 0 62 0, 0.0 3,-0.2 0, 0.0 8,-0.2 0.848 76.4 58.7 -49.2 -36.8 94.7 42.5 52.0 180 180 A G T 34 S+ 0 0 63 1,-0.2 8,-0.2 -3,-0.1 9,-0.1 0.786 110.6 42.4 -66.0 -20.5 96.4 41.8 48.7 181 181 A N T <4 S+ 0 0 14 -3,-2.8 8,-3.4 -7,-0.3 -1,-0.2 0.686 85.6 122.0 -99.4 -16.1 94.4 44.7 47.1 182 182 A A ><> - 0 0 0 -4,-1.4 5,-3.2 -8,-0.3 3,-1.7 -0.181 61.8-139.0 -56.4 126.2 94.7 47.1 50.0 183 183 A L G > 5S+ 0 0 49 1,-0.3 3,-1.2 3,-0.2 -1,-0.1 0.836 103.4 55.0 -50.7 -41.2 96.3 50.4 49.1 184 184 A E G 3 5S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.582 105.6 51.0 -72.1 -16.8 98.3 50.4 52.3 185 185 A K G < 5S- 0 0 136 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.174 130.8 -93.6-107.5 17.5 99.8 47.0 51.6 186 186 A G T < 5S+ 0 0 71 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.2 0.571 83.2 137.2 82.1 14.2 100.8 48.2 48.1 187 187 A G S - 0 0 0 -2,-0.1 4,-2.8 -3,-0.1 5,-0.3 -0.068 63.4 -98.7 -66.7 165.2 89.4 49.1 47.1 191 191 A I H > S+ 0 0 0 -23,-2.8 4,-1.8 1,-0.2 -22,-0.2 0.943 125.9 47.5 -53.4 -48.4 86.5 48.8 44.6 192 192 A T H > S+ 0 0 0 -23,-2.2 4,-2.1 -24,-0.3 -1,-0.2 0.926 111.3 49.6 -62.3 -43.5 85.8 52.5 45.1 193 193 A E H > S+ 0 0 9 -24,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 112.3 48.0 -63.6 -38.6 89.4 53.6 44.8 194 194 A Q H X S+ 0 0 11 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.815 106.3 57.9 -72.2 -26.3 89.8 51.6 41.6 195 195 A L H X S+ 0 0 4 -4,-1.8 4,-1.4 -5,-0.3 5,-0.4 0.941 105.9 49.7 -67.6 -41.7 86.6 53.1 40.3 196 196 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 112.0 48.7 -64.5 -31.8 88.1 56.6 40.7 197 197 A N H < S+ 0 0 82 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.930 102.7 60.0 -73.2 -43.1 91.2 55.5 38.9 198 198 A A H < S- 0 0 16 -4,-2.5 -1,-0.2 -38,-0.3 -2,-0.2 0.811 85.7-164.8 -55.2 -32.5 89.3 53.9 36.0 199 199 A R < - 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0 0 15 -489,-0.3 -44,-0.3 -43,-0.1 -809,-0.2 -0.196 61.6-111.5 -56.5 138.7 57.8 30.9 32.3 866 416 B Q - 0 0 1 -811,-0.6 2,-0.3 -810,-0.1 -331,-0.2 -0.249 47.9-165.6 -60.9 161.4 58.2 31.5 28.6 867 417 B L E -X 534 0J 1 -333,-1.8 -333,-2.5 -363,-0.1 -363,-0.1 -0.954 18.7 -62.9-151.7 171.8 60.7 29.0 27.1 868 418 B R E +X 533 0J 7 -2,-0.3 -50,-0.5 -335,-0.2 2,-0.4 -0.254 35.3 176.1 -62.8 135.5 62.9 28.0 24.3 869 419 B I E -XD 532 817J 1 -337,-1.7 -337,-2.6 10,-0.2 2,-0.3 -0.994 11.8-177.1-131.4 136.0 61.8 27.1 20.9 870 420 B A E -XD 531 816J 0 -54,-2.2 -54,-2.5 -2,-0.4 2,-0.3 -0.976 2.0-177.1-139.3 150.9 64.3 26.3 18.2 871 421 B A E -XD 530 815J 0 -341,-2.7 -341,-2.0 -2,-0.3 2,-0.3 -0.985 16.9-167.6-149.6 162.1 64.2 25.5 14.5 872 422 B Y E + D 0 814J 8 -58,-2.1 -58,-3.5 -2,-0.3 -385,-0.1 -0.987 55.5 36.3-145.4 136.9 66.1 24.5 11.3 873 423 B G S > S- 0 0 2 -2,-0.3 3,-1.5 -387,-0.3 -385,-0.4 -0.692 97.2 -12.3 116.9-173.9 64.8 24.6 7.8 874 424 B P T 3 S+ 0 0 3 0, 0.0 -385,-0.2 0, 0.0 -2,-0.1 -0.484 129.4 11.8 -63.7 136.6 62.5 26.6 5.6 875 425 B H T > S+ 0 0 21 -387,-2.4 3,-1.8 -2,-0.1 -846,-0.2 0.450 84.2 130.4 74.6 10.5 60.4 29.1 7.6 876 426 B A G X + 0 0 2 -3,-1.5 3,-2.2 1,-0.3 4,-0.3 0.740 54.1 78.3 -64.6 -21.5 62.4 28.6 10.7 877 427 B A G > S+ 0 0 1 1,-0.3 3,-1.5 -389,-0.3 -1,-0.3 0.768 76.1 80.8 -61.5 -18.1 62.8 32.4 11.1 878 428 B N G < S+ 0 0 9 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.573 87.9 51.5 -65.5 -6.6 59.2 32.2 12.4 879 429 B V G < S+ 0 0 3 -3,-2.2 -1,-0.3 4,-0.1 -10,-0.2 0.442 84.3 109.9-109.1 -0.3 60.4 31.1 15.9 880 430 B V S < S+ 0 0 1 -3,-1.5 -348,-0.3 -4,-0.3 -800,-0.1 -0.455 76.7 1.9 -76.3 147.7 62.9 33.8 16.4 881 431 B G E S-y 532 0J 0 -350,-0.9 -348,-2.0 -2,-0.1 2,-0.5 -0.388 118.2 -21.7 77.1-157.0 62.2 36.5 19.0 882 432 B L E S+y 533 0J 2 -806,-0.4 2,-0.3 -350,-0.2 -348,-0.2 -0.802 72.9 156.5 -90.9 130.1 59.0 36.4 21.1 883 433 B T E -y 534 0J 3 -350,-1.8 -348,-1.8 -2,-0.5 2,-0.3 -0.855 36.3-113.6-137.2 175.6 56.1 34.3 19.8 884 434 B D E >> -y 535 0J 0 -2,-0.3 3,-0.9 -350,-0.2 4,-0.7 -0.815 27.9-115.0-109.9 158.0 53.0 32.6 21.1 885 435 B Q H >> S+ 0 0 0 -350,-2.7 3,-0.8 -2,-0.3 4,-0.6 0.830 116.7 59.8 -54.0 -35.3 52.4 28.8 21.1 886 436 B T H >> S+ 0 0 0 1,-0.2 4,-1.3 -351,-0.2 3,-0.6 0.821 93.1 65.8 -65.4 -30.3 49.4 29.5 18.8 887 437 B D H <> S+ 0 0 3 -3,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.837 88.6 68.1 -58.3 -32.8 51.8 31.0 16.3 888 438 B L H S+ 0 0 62 -4,-2.6 5,-2.3 1,-0.2 4,-1.2 0.892 115.4 45.2 -55.1 -43.9 50.3 25.2 8.3 894 444 B A H <5S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.821 108.1 53.7 -74.3 -35.0 51.9 28.0 6.2 895 445 B A H <5S+ 0 0 0 -4,-1.9 -403,-2.5 1,-0.2 -2,-0.2 0.901 116.2 41.4 -67.5 -36.8 55.3 26.3 5.7 896 446 B L H <5S- 0 0 25 -4,-2.2 -1,-0.2 -405,-0.2 -2,-0.2 0.759 107.9-127.6 -79.6 -24.8 53.5 23.3 4.3 897 447 B G T <5 + 0 0 44 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.807 46.3 170.6 80.6 29.8 50.9 25.5 2.3 898 448 B L < 0 0 11 -5,-2.3 -1,-0.2 -6,-0.2 -312,-0.1 -0.275 360.0 360.0 -70.0 158.8 48.0 23.6 3.9 899 449 B K 0 0 217 -314,-0.3 -1,-0.1 -313,-0.0 -313,-0.1 0.343 360.0 360.0-151.7 360.0 44.4 24.9 3.4