==== 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 OXIDOREDUCTASE 28-JUL-99 1C3V . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.CIRILLI,R.ZHENG,G.SCAPIN,J.S.BLANCHARD,TB STRUCTURAL GENOM . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 0 2 2 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 5 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 2 3 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 0 2 0 0 0 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 1 501 A M 0 0 79 0, 0.0 26,-3.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 122.6 160.5 23.6 13.4 2 502 A R E -a 27 0A 97 43,-0.2 45,-1.9 24,-0.2 46,-1.4 -0.722 360.0-175.7 -82.4 121.0 160.1 21.0 16.1 3 503 A V E -ab 28 48A 0 24,-4.0 26,-1.8 -2,-0.6 27,-0.9 -0.976 10.0-167.3-125.9 131.1 156.5 20.9 17.3 4 504 A G E -ab 30 49A 0 44,-2.1 46,-2.3 -2,-0.4 2,-0.5 -0.856 13.8-138.6-114.2 149.2 154.9 18.9 20.0 5 505 A V E > -ab 31 50A 0 25,-2.3 3,-0.8 -2,-0.3 2,-0.8 -0.930 5.4-151.5-113.4 121.0 151.2 18.3 20.8 6 506 A L E 3 S+ab 32 51A 7 44,-2.9 46,-2.1 -2,-0.5 27,-0.2 -0.804 88.9 17.2 -90.5 111.2 149.8 18.4 24.3 7 507 A G T > S+ 0 0 10 25,-1.4 3,-2.6 -2,-0.8 6,-0.3 0.734 72.8 169.7 97.6 33.2 146.7 16.2 24.4 8 508 A A T < S+ 0 0 1 24,-2.2 25,-0.1 -3,-0.8 9,-0.1 0.505 73.1 57.8 -53.7 -10.6 147.4 14.3 21.2 9 509 A K T 3 S+ 0 0 123 23,-0.2 -1,-0.3 4,-0.1 24,-0.1 0.592 85.8 101.7 -97.9 -13.2 144.6 11.8 22.0 10 510 A G S <> S- 0 0 30 -3,-2.6 4,-2.5 42,-0.2 5,-0.3 -0.082 88.6-102.0 -68.9 168.1 141.8 14.4 22.3 11 511 A K T 4 S+ 0 0 107 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.932 126.0 28.6 -54.5 -47.9 139.2 15.1 19.7 12 512 A V T >> S+ 0 0 28 40,-0.2 4,-2.0 2,-0.2 3,-0.5 0.860 116.9 60.5 -81.3 -40.1 141.0 18.2 18.6 13 513 A G H 3> S+ 0 0 0 39,-0.3 4,-2.5 -6,-0.3 -5,-0.2 0.909 100.3 53.3 -54.7 -48.2 144.5 17.0 19.6 14 514 A T H 3X S+ 0 0 49 -4,-2.5 4,-1.7 -7,-0.3 -1,-0.2 0.792 109.1 51.9 -59.3 -30.2 144.5 14.0 17.2 15 515 A T H <> S+ 0 0 18 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.920 108.8 48.4 -72.4 -45.3 143.6 16.4 14.4 16 516 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.880 109.7 53.3 -61.9 -40.3 146.5 18.8 15.2 17 517 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.947 110.6 46.7 -59.3 -49.2 148.9 15.8 15.3 18 518 A R H X S+ 0 0 163 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.881 113.4 50.1 -59.7 -40.6 147.8 14.8 11.8 19 519 A A H X S+ 0 0 17 -4,-2.3 4,-1.3 2,-0.2 3,-0.3 0.921 111.8 45.4 -64.8 -48.6 148.1 18.4 10.6 20 520 A V H < S+ 0 0 0 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.867 110.1 55.7 -64.0 -37.3 151.7 18.8 12.0 21 521 A A H < S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.793 110.5 45.9 -65.5 -28.4 152.7 15.4 10.6 22 522 A A H < S+ 0 0 84 -4,-1.1 2,-0.5 -3,-0.3 -1,-0.2 0.709 87.8 101.6 -86.2 -24.5 151.5 16.6 7.1 23 523 A A >< - 0 0 11 -4,-1.3 3,-1.3 1,-0.2 -4,-0.0 -0.518 59.9-158.5 -67.3 112.8 153.2 20.0 7.4 24 524 A D T 3 S+ 0 0 157 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.671 93.0 49.0 -64.3 -21.5 156.4 19.7 5.3 25 525 A D T 3 S+ 0 0 74 -5,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.327 105.7 70.8-100.4 3.4 158.0 22.6 7.2 26 526 A L < - 0 0 11 -3,-1.3 2,-0.5 -6,-0.2 -24,-0.2 -0.946 64.0-151.8-125.8 145.8 157.1 21.2 10.6 27 527 A T E -a 2 0A 63 -26,-3.2 -24,-4.0 -2,-0.4 2,-1.1 -0.966 18.0-134.1-119.3 121.5 158.4 18.3 12.6 28 528 A L E +a 3 0A 48 -2,-0.5 -24,-0.2 -26,-0.2 3,-0.1 -0.628 35.1 166.1 -74.2 100.9 156.3 16.4 15.1 29 529 A S E + 0 0 23 -26,-1.8 2,-0.3 -2,-1.1 -25,-0.2 0.734 59.5 24.4 -89.8 -25.5 158.8 16.2 18.0 30 530 A A E -a 4 0A 7 -27,-0.9 -25,-2.3 -3,-0.1 -1,-0.2 -0.998 44.3-173.1-145.9 148.0 156.3 15.2 20.7 31 531 A E E +a 5 0A 85 -2,-0.3 -25,-0.1 -27,-0.2 5,-0.1 -0.451 26.6 179.1-134.2 59.7 152.9 13.5 21.2 32 532 A L E +a 6 0A 1 -27,-0.6 -24,-2.2 6,-0.1 -25,-1.4 -0.226 1.9 174.0 -65.2 151.4 152.1 13.9 24.9 33 533 A D - 0 0 63 -26,-0.2 3,-0.4 -27,-0.2 2,-0.2 -0.750 48.1 -44.6-141.4-175.7 148.9 12.6 26.4 34 534 A A S S+ 0 0 88 -2,-0.2 2,-0.2 1,-0.2 -1,-0.0 -0.428 128.0 7.7 -60.9 123.5 147.3 12.3 29.9 35 535 A G S S+ 0 0 81 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.235 93.3 126.9 100.1 -44.5 150.0 11.0 32.2 36 536 A D S S- 0 0 72 -3,-0.4 -1,-0.3 -2,-0.2 2,-0.1 -0.153 70.6 -98.5 -50.3 134.1 153.0 11.1 29.8 37 537 A P > - 0 0 80 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.328 15.3-136.0 -61.7 133.2 155.9 13.1 31.3 38 538 A L T >> S+ 0 0 43 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.627 101.9 76.6 -61.9 -12.5 156.3 16.7 30.3 39 539 A S H 3> S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.689 74.0 75.3 -71.4 -20.2 160.0 15.8 30.0 40 540 A L H <> S+ 0 0 73 -3,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.812 93.1 56.0 -59.9 -30.3 159.2 14.0 26.7 41 541 A L H <4>S+ 0 0 0 -3,-0.9 5,-2.0 -4,-0.3 4,-0.3 0.946 106.8 45.4 -65.6 -52.7 159.0 17.6 25.3 42 542 A T H <5S+ 0 0 56 -4,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.704 108.7 62.4 -64.1 -18.0 162.5 18.5 26.4 43 543 A D H <5S+ 0 0 132 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 106.4 40.0 -73.3 -49.0 163.5 15.1 25.0 44 544 A G T <5S- 0 0 10 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.331 112.4-119.0 -83.5 6.7 162.5 15.9 21.4 45 545 A N T 5 - 0 0 121 -4,-0.3 -43,-0.2 -3,-0.3 -3,-0.2 0.890 43.0-168.2 55.7 45.4 163.9 19.4 21.8 46 546 A T < - 0 0 11 -5,-2.0 -43,-0.2 1,-0.1 -1,-0.2 -0.327 21.3-177.0 -64.6 142.0 160.5 20.9 21.1 47 547 A E S S+ 0 0 82 -45,-1.9 24,-3.1 1,-0.4 2,-0.3 0.632 71.6 26.9-112.4 -25.1 160.4 24.7 20.4 48 548 A V E -bc 3 71A 0 -46,-1.4 -44,-2.1 22,-0.2 2,-0.4 -0.999 66.1-165.6-141.4 139.8 156.6 25.1 20.1 49 549 A V E -bc 4 72A 0 22,-1.9 24,-2.8 -2,-0.3 2,-0.6 -0.974 14.9-141.6-131.0 140.2 153.7 23.1 21.5 50 550 A I E -bc 5 73A 0 -46,-2.3 -44,-2.9 -2,-0.4 2,-0.6 -0.897 20.5-156.0 -99.8 118.5 150.0 23.1 20.7 51 551 A D E +bc 6 74A 0 22,-2.6 24,-3.5 -2,-0.6 25,-1.2 -0.871 33.0 148.9-105.4 115.4 147.9 22.8 23.8 52 552 A F + 0 0 34 -46,-2.1 -39,-0.3 -2,-0.6 -40,-0.2 -0.521 41.6 110.1-137.0 62.1 144.4 21.3 23.5 53 553 A T S S- 0 0 48 1,-0.1 24,-0.1 -41,-0.1 -41,-0.1 0.554 72.3 -57.1-103.0-113.4 144.0 19.6 26.9 54 554 A H >> - 0 0 80 22,-0.1 3,-2.5 1,-0.0 4,-1.6 -0.997 34.7-119.7-145.0 140.8 141.8 20.6 29.9 55 555 A P H 3> S+ 0 0 33 0, 0.0 4,-0.5 0, 0.0 -1,-0.0 0.724 110.7 65.5 -53.1 -21.2 141.4 23.8 31.9 56 556 A D H 34 S+ 0 0 130 1,-0.2 4,-0.1 2,-0.1 22,-0.0 0.635 114.6 28.0 -78.1 -11.4 142.4 21.9 35.1 57 557 A V H <> S+ 0 0 58 -3,-2.5 4,-2.2 2,-0.1 3,-0.4 0.601 94.8 88.3-122.5 -18.5 145.9 21.2 33.7 58 558 A V H X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.3 5,-0.2 0.919 90.5 50.5 -47.5 -57.7 146.7 24.2 31.4 59 559 A M H X S+ 0 0 25 -4,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.849 110.5 53.0 -50.7 -38.6 148.1 26.3 34.1 60 560 A G H >> S+ 0 0 47 -3,-0.4 4,-1.3 2,-0.2 3,-0.8 0.981 113.9 38.5 -62.1 -57.7 150.3 23.4 35.1 61 561 A N H 3X S+ 0 0 22 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.879 109.2 63.0 -60.9 -42.8 151.8 22.8 31.6 62 562 A L H 3X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.803 101.8 52.0 -53.6 -32.7 152.1 26.5 30.9 63 563 A E H X S+ 0 0 44 -4,-1.3 4,-2.1 2,-0.2 3,-0.5 0.944 114.7 47.2 -56.6 -54.3 156.8 24.0 32.5 65 565 A L H 3<>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.2 0.933 111.1 50.1 -54.3 -53.7 156.7 25.3 28.9 66 566 A I H 3<5S+ 0 0 3 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.740 110.7 53.8 -59.5 -24.5 157.5 28.9 29.9 67 567 A D H <<5S+ 0 0 128 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.959 108.4 43.9 -75.0 -53.7 160.4 27.6 32.1 68 568 A N T <5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.278 116.9-111.7 -76.3 10.8 162.2 25.6 29.4 69 569 A G T 5 + 0 0 33 -3,-0.3 2,-0.4 -4,-0.2 -3,-0.2 0.684 65.3 153.8 66.6 19.1 161.7 28.5 27.0 70 570 A I < - 0 0 7 -5,-2.2 -1,-0.2 -6,-0.2 -22,-0.2 -0.662 42.9-124.6 -83.1 131.7 159.3 26.5 24.9 71 571 A H E -c 48 0A 29 -24,-3.1 -22,-1.9 -2,-0.4 2,-0.4 -0.423 26.2-150.3 -73.0 151.2 156.7 28.5 22.9 72 572 A A E -cd 49 99A 0 26,-1.9 28,-3.6 -24,-0.2 2,-0.6 -0.980 22.8-172.1-136.8 131.6 153.0 27.8 23.3 73 573 A V E -cd 50 100A 0 -24,-2.8 -22,-2.6 -2,-0.4 2,-0.5 -0.947 26.8-166.4-115.2 101.2 149.9 28.0 21.2 74 574 A V E +cd 51 101A 0 26,-3.2 28,-1.9 -2,-0.6 -22,-0.2 -0.831 28.4 165.7-100.7 129.0 147.0 27.2 23.6 75 575 A G + 0 0 10 -24,-3.5 -23,-0.2 -2,-0.5 -1,-0.1 0.554 42.3 118.9-109.5 -15.5 143.5 26.4 22.5 76 576 A T - 0 0 9 -25,-1.2 -22,-0.1 -22,-0.1 -24,-0.1 -0.326 57.3-141.8 -57.4 122.6 142.3 25.0 25.9 77 577 A T + 0 0 31 -24,-0.1 -19,-0.1 1,-0.1 -1,-0.1 -0.014 67.9 79.8 -76.7-174.8 139.4 27.2 27.1 78 578 A G + 0 0 40 1,-0.2 2,-0.8 -24,-0.0 -1,-0.1 0.830 54.5 161.1 82.3 33.5 138.6 28.4 30.6 79 579 A F - 0 0 35 4,-0.1 -1,-0.2 3,-0.0 2,-0.2 -0.807 16.2-171.9 -93.6 108.3 141.1 31.2 30.7 80 580 A T > - 0 0 61 -2,-0.8 4,-3.0 1,-0.1 5,-0.2 -0.555 38.1-103.9 -95.7 163.4 140.2 33.7 33.4 81 581 A A H > S+ 0 0 72 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.899 122.7 50.2 -49.3 -50.8 141.8 37.1 34.2 82 582 A E H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.2 48.1 -54.9 -48.1 143.7 35.7 37.2 83 583 A R H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.928 112.5 47.3 -59.3 -48.4 145.0 32.9 35.0 84 584 A F H X S+ 0 0 48 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.944 113.1 49.9 -58.1 -44.6 146.0 35.3 32.3 85 585 A Q H X S+ 0 0 115 -4,-3.4 4,-3.2 2,-0.2 -1,-0.2 0.845 109.1 52.7 -59.9 -37.6 147.6 37.4 35.0 86 586 A Q H < S+ 0 0 83 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.979 110.9 44.7 -61.5 -56.2 149.3 34.2 36.2 87 587 A V H >X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 3,-0.7 0.814 114.1 54.0 -56.7 -32.4 150.7 33.6 32.7 88 588 A E H 3X S+ 0 0 91 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.977 102.6 52.9 -65.3 -58.3 151.6 37.3 32.7 89 589 A S H 3< S+ 0 0 71 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.309 113.4 49.2 -63.5 8.9 153.6 37.3 36.0 90 590 A W H X4 S+ 0 0 81 -3,-0.7 3,-0.8 -4,-0.1 -1,-0.2 0.761 98.8 56.0-112.7 -55.0 155.6 34.4 34.4 91 591 A L H >< S+ 0 0 10 -4,-1.8 3,-1.6 1,-0.3 6,-0.2 0.800 101.8 64.2 -50.2 -34.0 156.7 35.4 30.9 92 592 A V T 3< S+ 0 0 109 -4,-1.3 -1,-0.3 1,-0.3 -3,-0.1 0.937 99.1 50.6 -56.2 -50.2 158.3 38.5 32.5 93 593 A A T < S+ 0 0 93 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.173 126.4 27.3 -76.4 18.4 160.8 36.3 34.5 94 594 A K S < S+ 0 0 28 -3,-1.6 3,-0.5 3,-0.1 -1,-0.3 -0.125 80.2 171.8-175.8 61.5 161.7 34.5 31.2 95 595 A P + 0 0 91 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.158 56.7 68.1 -64.9-170.2 161.2 36.7 28.1 96 596 A N S S+ 0 0 150 1,-0.2 2,-0.4 133,-0.0 -5,-0.0 0.366 86.8 102.2 74.1 -9.2 162.3 35.7 24.6 97 597 A T - 0 0 8 -3,-0.5 136,-1.7 -6,-0.2 2,-0.4 -0.891 62.6-150.9-108.0 136.4 159.6 33.1 25.0 98 598 A S E - e 0 233A 3 -2,-0.4 -26,-1.9 134,-0.2 2,-0.4 -0.875 12.6-176.2-113.2 144.1 156.2 33.5 23.2 99 599 A V E -de 72 234A 0 134,-3.6 136,-0.7 -2,-0.4 2,-0.5 -0.983 3.9-168.4-140.4 123.4 152.7 32.3 24.3 100 600 A L E -d 73 0A 3 -28,-3.6 -26,-3.2 -2,-0.4 2,-0.4 -0.960 3.2-175.2-118.5 128.2 149.5 32.6 22.3 101 601 A I E +d 74 0A 6 -2,-0.5 136,-3.3 -28,-0.2 -26,-0.2 -0.980 6.6 175.3-121.6 130.3 146.1 31.9 23.8 102 602 A A - 0 0 2 -28,-1.9 3,-0.2 -2,-0.4 -2,-0.0 -0.997 31.6-148.1-140.2 132.3 142.9 32.0 21.7 103 603 A P S S+ 0 0 34 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.736 93.6 14.0 -68.2 -19.7 139.3 31.2 22.5 104 604 A N - 0 0 21 38,-0.1 134,-0.4 39,-0.1 6,-0.0 -0.940 52.1-169.2-159.8 129.7 138.7 30.1 18.9 105 605 A F + 0 0 5 -2,-0.3 115,-0.4 -3,-0.2 2,-0.3 0.409 59.4 109.1 -98.0 -3.0 141.1 29.3 16.0 106 606 A A > - 0 0 0 1,-0.2 4,-1.9 114,-0.1 5,-0.1 -0.629 66.3-143.2 -75.0 130.1 138.4 29.2 13.3 107 607 A I H > S+ 0 0 25 109,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.901 99.6 56.3 -61.7 -42.3 138.7 32.3 11.1 108 608 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 106.8 50.5 -58.6 -37.0 135.0 32.6 10.8 109 609 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 109.8 48.6 -66.9 -47.1 134.7 32.8 14.5 110 610 A V H X S+ 0 0 6 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.900 112.7 49.2 -59.0 -42.0 137.3 35.5 14.9 111 611 A L H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.865 106.3 57.4 -65.1 -37.7 135.5 37.4 12.1 112 612 A S H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.911 107.4 46.4 -58.9 -45.4 132.2 37.0 13.9 113 613 A M H X S+ 0 0 6 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.855 111.6 54.1 -65.5 -34.0 133.6 38.6 17.1 114 614 A H H X S+ 0 0 67 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.934 113.1 40.1 -65.0 -49.1 135.0 41.4 14.8 115 615 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.872 110.0 59.2 -69.1 -39.2 131.6 42.1 13.2 116 616 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.918 104.2 52.0 -55.7 -45.0 129.7 41.8 16.5 117 617 A K H < S+ 0 0 74 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.902 111.9 46.4 -58.1 -43.7 131.8 44.6 17.9 118 618 A Q H < S+ 0 0 56 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.786 115.8 43.0 -71.6 -32.9 131.0 46.9 15.0 119 619 A A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.1 4,-0.3 0.697 88.6 88.2 -88.9 -21.1 127.3 46.2 14.8 120 620 A A G >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.3 -1,-0.1 0.856 85.1 53.1 -45.5 -50.9 126.5 46.4 18.6 121 621 A R G 3 S+ 0 0 129 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.757 100.9 62.0 -60.9 -27.2 125.9 50.2 18.7 122 622 A F G < S+ 0 0 49 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.3 0.460 98.8 65.6 -81.1 -0.9 123.3 50.1 15.9 123 623 A F < - 0 0 7 -3,-1.5 77,-0.2 -4,-0.3 3,-0.1 -0.890 62.0-148.0-129.2 156.5 120.8 47.9 17.7 124 624 A D S S+ 0 0 85 75,-1.3 2,-0.3 -2,-0.3 76,-0.2 0.889 87.7 39.1 -81.1 -44.7 118.5 47.9 20.7 125 625 A S E +F 199 0B 40 74,-2.4 74,-2.3 36,-0.2 2,-0.3 -0.836 59.2 176.2-113.7 149.8 118.7 44.2 21.5 126 626 A A E +F 198 0B 1 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.975 6.7 164.8-152.1 129.1 121.6 41.7 21.4 127 627 A E E -F 197 0B 49 70,-2.1 70,-2.9 -2,-0.3 2,-0.4 -0.982 23.4-139.1-143.4 155.2 121.7 38.0 22.4 128 628 A V E -Fg 196 182B 0 53,-2.4 55,-2.9 -2,-0.3 2,-0.5 -0.969 9.8-169.1-123.2 129.6 124.0 35.1 21.8 129 629 A I E -Fg 195 183B 46 66,-2.9 66,-3.0 -2,-0.4 2,-0.4 -0.981 9.9-173.1-116.2 124.6 123.1 31.5 21.0 130 630 A E E -Fg 194 184B 0 53,-3.5 55,-3.4 -2,-0.5 2,-0.4 -0.952 2.7-169.6-120.5 136.8 125.8 28.9 21.1 131 631 A L E +Fg 193 185B 29 62,-2.7 62,-2.2 -2,-0.4 2,-0.3 -0.987 13.8 161.2-132.1 126.1 125.5 25.3 20.1 132 632 A H E -Fg 192 186B 19 53,-3.0 55,-2.1 -2,-0.4 60,-0.2 -0.870 43.2 -77.4-138.1 169.8 128.0 22.5 20.7 133 633 A H > - 0 0 23 58,-1.5 3,-1.4 -2,-0.3 55,-0.2 -0.221 50.1-108.1 -60.5 155.0 128.4 18.7 20.8 134 634 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.313 111.0 72.1 -74.8 16.8 127.1 17.0 24.0 135 635 A H T 3 + 0 0 135 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.390 66.4 116.5-107.6 -1.7 130.7 16.3 25.2 136 636 A K < - 0 0 45 -3,-1.4 -4,-0.1 1,-0.1 5,-0.0 -0.552 48.7-162.1 -71.7 131.4 131.5 19.9 26.1 137 637 A A + 0 0 90 -2,-0.3 2,-0.4 1,-0.0 -1,-0.1 0.805 68.3 62.9 -84.4 -30.1 132.2 20.4 29.8 138 638 A D S S- 0 0 53 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.779 73.4-136.5-105.4 140.5 131.7 24.2 30.0 139 639 A A S S+ 0 0 72 -2,-0.4 2,-0.1 1,-0.1 45,-0.1 -0.989 84.1 28.8-142.5 125.8 128.6 26.2 29.3 140 640 A P S S- 0 0 32 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.615 100.0-109.9 -80.0 174.3 128.5 28.7 27.8 141 641 A S > - 0 0 2 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.206 23.0-115.4 -60.6 158.1 131.5 28.3 25.3 142 642 A G H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.899 117.7 51.0 -62.8 -39.9 134.5 30.5 25.8 143 643 A T H > S+ 0 0 11 -40,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.905 108.5 51.2 -63.3 -44.3 133.9 32.2 22.5 144 644 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.934 111.1 47.7 -59.6 -47.6 130.3 32.9 23.4 145 645 A A H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.880 114.3 47.5 -61.6 -39.1 131.3 34.5 26.7 146 646 A R H X S+ 0 0 80 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.891 111.6 49.6 -70.3 -39.6 134.0 36.5 24.9 147 647 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.916 110.6 50.3 -64.8 -43.6 131.6 37.6 22.2 148 648 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 110.4 50.6 -61.1 -42.3 129.0 38.7 24.8 149 649 A K H X S+ 0 0 98 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.889 109.7 50.0 -62.6 -42.5 131.7 40.7 26.6 150 650 A L H X S+ 0 0 33 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.922 112.2 47.6 -62.5 -45.9 132.8 42.4 23.4 151 651 A I H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.949 111.7 49.2 -60.6 -50.2 129.2 43.4 22.6 152 652 A A H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 110.6 52.1 -60.8 -29.7 128.5 44.7 26.2 153 653 A E H >< S+ 0 0 85 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.3 0.779 106.8 52.3 -78.9 -26.8 131.7 46.7 26.0 154 654 A A H << S+ 0 0 9 -4,-1.4 3,-0.2 -3,-0.6 -2,-0.2 0.723 106.7 53.5 -81.2 -21.7 130.7 48.4 22.6 155 655 A R T >< S+ 0 0 19 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.028 71.0 136.7-101.7 27.4 127.3 49.5 24.0 156 656 A K T < S+ 0 0 149 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.840 75.4 32.5 -39.2 -59.9 128.9 51.3 27.0 157 657 A G T 3 S+ 0 0 66 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.732 102.5 92.8 -77.0 -22.8 126.8 54.4 26.9 158 658 A L S < S- 0 0 58 -3,-0.5 -3,-0.0 1,-0.1 -34,-0.0 -0.259 81.2-103.6 -73.2 155.4 123.6 52.8 25.6 159 659 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.230 46.8 -87.5 -71.8 166.9 120.7 51.5 27.7 160 660 A P - 0 0 114 0, 0.0 20,-0.1 0, 0.0 3,-0.1 -0.192 56.5 -71.8 -73.4 167.4 120.2 47.7 28.3 161 661 A N - 0 0 30 18,-0.4 2,-0.3 -35,-0.1 -36,-0.2 -0.301 54.8-111.1 -57.9 137.6 118.2 45.3 26.1 162 662 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.600 46.3 165.6 -76.0 132.1 114.4 45.9 26.4 163 663 A D - 0 0 88 -2,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.833 26.8-174.8-153.5 114.5 112.7 43.0 28.2 164 664 A A + 0 0 103 -2,-0.3 2,-0.2 2,-0.0 -1,-0.0 0.217 34.3 149.2 -92.6 16.1 109.1 42.9 29.6 165 665 A T + 0 0 69 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.296 8.4 159.9 -56.9 112.8 109.6 39.4 31.1 166 666 A S + 0 0 109 1,-0.4 2,-0.4 -2,-0.2 -1,-0.2 0.826 65.0 27.4 -99.9 -55.0 107.4 39.4 34.2 167 667 A T S S+ 0 0 124 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.895 75.4 158.5-111.1 142.3 106.8 35.6 34.8 168 668 A S - 0 0 74 -2,-0.4 3,-0.1 -3,-0.1 -3,-0.0 -0.986 41.8-109.9-164.3 149.8 109.4 33.0 33.8 169 669 A L > - 0 0 140 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.616 59.3 -86.3 -79.2 141.5 110.7 29.5 34.3 170 670 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.252 111.6 6.8 -52.0 122.4 114.2 29.4 35.9 171 671 A G T > S+ 0 0 67 3,-0.1 3,-1.6 -3,-0.1 4,-0.0 0.368 87.9 122.1 86.3 -3.2 116.9 29.7 33.3 172 672 A A T < S+ 0 0 62 -3,-2.1 3,-0.1 1,-0.3 -1,-0.0 0.828 74.5 52.2 -61.0 -33.1 114.6 30.3 30.3 173 673 A R T 3 S- 0 0 79 -4,-0.3 -1,-0.3 1,-0.2 9,-0.1 0.141 108.5-128.7 -92.0 20.3 116.4 33.6 29.5 174 674 A G < - 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