==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-02 1LQF . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ASANTE-APPIAH,S.PATEL,C.DUFRESNE,G.SCAPIN . 1148 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 8 0.7 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 . 2 0.2 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 . 114 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 2 0 0 0 3 1 0 8 1 6 1 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 4 8 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 . 7 4 1 3 0 4 0 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 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 1 497 A K > 0 0 177 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-128.2 60.5 -6.7 21.7 2 498 A L T > + 0 0 67 1,-0.2 3,-3.6 2,-0.1 4,-0.4 0.906 360.0 82.2 -66.6 -42.1 60.9 -8.3 25.2 3 499 A E T >> S+ 0 0 32 1,-0.3 3,-2.3 2,-0.2 4,-0.8 0.722 74.3 71.2 -31.3 -44.7 57.8 -6.3 26.3 4 500 A F H <> S+ 0 0 41 -3,-0.6 4,-1.1 1,-0.3 -1,-0.3 0.724 90.7 60.5 -53.1 -22.3 55.4 -8.8 24.8 5 501 A M H <> S+ 0 0 62 -3,-3.6 4,-1.2 1,-0.2 -1,-0.3 0.770 95.5 63.0 -77.3 -23.0 56.4 -11.2 27.6 6 502 A E H <> S+ 0 0 95 -3,-2.3 4,-2.0 -4,-0.4 -1,-0.2 0.811 102.8 48.3 -68.8 -31.6 55.1 -8.7 30.2 7 503 A M H X S+ 0 0 9 -4,-0.8 4,-3.6 2,-0.2 5,-0.2 0.869 108.9 48.0 -78.1 -41.9 51.5 -8.9 28.9 8 504 A E H X S+ 0 0 84 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.861 115.8 48.2 -68.3 -34.4 51.0 -12.7 28.7 9 505 A K H X S+ 0 0 120 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.981 114.0 44.5 -64.8 -59.6 52.4 -12.9 32.1 10 506 A E H X S+ 0 0 86 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.914 115.0 49.8 -51.8 -47.4 50.1 -10.1 33.4 11 507 A F H X S+ 0 0 15 -4,-3.6 4,-2.0 1,-0.2 -1,-0.3 0.897 109.8 52.1 -61.3 -37.4 47.2 -11.7 31.5 12 508 A E H X S+ 0 0 78 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.916 102.3 57.1 -68.0 -39.8 48.1 -15.0 33.1 13 509 A Q H X S+ 0 0 114 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.929 111.7 44.6 -53.8 -43.7 48.1 -13.7 36.6 14 510 A I H <>S+ 0 0 20 -4,-1.6 5,-1.8 -5,-0.2 6,-0.5 0.858 114.4 49.0 -68.9 -37.7 44.6 -12.5 36.1 15 511 A D H ><5S+ 0 0 45 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.971 112.0 44.3 -68.9 -55.1 43.5 -15.7 34.4 16 512 A K H 3<5S+ 0 0 179 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.924 120.5 41.6 -56.3 -49.7 44.8 -18.2 37.0 17 513 A S T 3<5S- 0 0 78 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.256 103.6-136.3 -82.4 13.4 43.5 -16.2 39.9 18 514 A G T < 5 + 0 0 51 -3,-1.8 3,-0.3 1,-0.2 4,-0.3 0.789 48.7 154.0 31.8 49.4 40.3 -15.5 37.9 19 515 A S >< + 0 0 39 -5,-1.8 4,-2.5 -6,-0.2 5,-0.2 0.322 38.3 101.9 -84.7 6.1 40.4 -11.9 39.0 20 516 A W H > S+ 0 0 19 -6,-0.5 4,-3.2 1,-0.2 5,-0.3 0.953 78.3 47.0 -53.1 -62.5 38.4 -10.9 35.8 21 517 A A H > S+ 0 0 61 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.835 113.4 52.2 -52.0 -36.1 34.9 -10.4 37.4 22 518 A A H > S+ 0 0 57 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.961 111.3 44.6 -65.8 -52.9 36.6 -8.4 40.2 23 519 A I H X S+ 0 0 33 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.928 113.0 52.0 -56.3 -49.5 38.4 -6.1 37.7 24 520 A Y H X S+ 0 0 14 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.931 110.0 47.9 -55.9 -46.3 35.2 -5.7 35.7 25 521 A Q H X S+ 0 0 106 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.796 110.0 53.3 -66.6 -25.9 33.2 -4.8 38.8 26 522 A D H X S+ 0 0 89 -4,-1.6 4,-1.6 -3,-0.3 -2,-0.2 0.942 108.6 49.5 -69.0 -49.8 35.9 -2.3 39.7 27 523 A I H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.819 112.2 50.6 -56.3 -36.9 35.7 -0.7 36.2 28 524 A R H >< S+ 0 0 105 -4,-1.9 3,-1.7 -5,-0.2 -2,-0.2 0.995 107.8 48.1 -64.9 -69.2 31.9 -0.5 36.7 29 525 A H H 3< S+ 0 0 173 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.770 116.1 48.8 -45.6 -26.5 31.9 1.2 40.1 30 526 A E H 3< S+ 0 0 93 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.753 83.7 119.4 -89.6 -22.7 34.3 3.6 38.6 31 527 A A << - 0 0 30 -3,-1.7 224,-0.1 -4,-1.2 228,-0.1 0.002 68.6-107.1 -46.0 143.4 32.5 4.5 35.4 32 528 A S - 0 0 42 223,-0.3 2,-0.4 1,-0.0 -1,-0.1 -0.278 26.3-153.6 -68.4 156.2 31.5 8.1 34.8 33 529 A D + 0 0 146 229,-0.1 226,-0.1 -2,-0.0 -1,-0.0 -0.819 21.5 165.2-141.3 99.6 27.8 9.0 35.0 34 530 A F - 0 0 52 -2,-0.4 2,-0.1 1,-0.1 228,-0.0 -0.677 40.5 -84.2-108.5 164.9 26.6 11.9 33.0 35 531 A P - 0 0 66 0, 0.0 22,-2.7 0, 0.0 23,-0.4 -0.389 23.6-169.5 -75.2 147.1 23.0 13.0 32.1 36 532 A C > + 0 0 21 20,-0.3 4,-0.9 1,-0.1 424,-0.1 -0.462 33.0 144.2-126.8 52.0 20.9 11.7 29.2 37 533 A R T >4 S+ 0 0 57 1,-0.2 3,-2.1 2,-0.2 4,-0.5 0.981 70.1 51.4 -57.3 -61.9 18.1 14.2 29.4 38 534 A V G >4 S+ 0 0 31 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.843 104.5 58.4 -46.0 -40.8 17.5 14.5 25.6 39 535 A A G 34 S+ 0 0 1 16,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.839 106.0 51.1 -59.6 -31.0 17.2 10.7 25.3 40 536 A K G << S+ 0 0 41 -3,-2.1 -1,-0.2 -4,-0.9 -2,-0.2 0.402 77.6 118.3 -89.3 -2.0 14.3 10.8 27.8 41 537 A L S X S- 0 0 42 -3,-1.3 3,-1.0 -4,-0.5 4,-0.1 -0.326 74.1-117.6 -63.4 152.0 12.1 13.4 26.3 42 538 A P G > S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.833 112.6 58.9 -60.5 -37.3 8.6 12.0 25.2 43 539 A K G 3 S+ 0 0 115 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.721 107.8 47.1 -66.2 -22.1 9.2 12.7 21.5 44 540 A N G X S+ 0 0 1 -3,-1.0 3,-1.3 -6,-0.2 -1,-0.3 0.245 80.3 104.3-102.4 10.6 12.3 10.5 21.6 45 541 A K G X S+ 0 0 111 -3,-1.4 3,-0.6 1,-0.3 -1,-0.2 0.877 87.5 38.3 -59.7 -39.9 10.5 7.6 23.4 46 542 A N G 3 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.2 48,-0.2 0.243 100.4 74.8 -95.4 8.7 10.2 5.5 20.2 47 543 A R G < S+ 0 0 27 -3,-1.3 25,-0.5 -8,-0.2 2,-0.4 0.213 87.8 80.3-100.9 10.6 13.6 6.5 18.9 48 544 A N < - 0 0 23 -3,-0.6 3,-0.1 1,-0.1 6,-0.1 -0.942 62.0-158.1-121.3 143.3 15.2 4.2 21.5 49 545 A R S S+ 0 0 47 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.884 81.5 21.8 -83.4 -43.7 15.7 0.5 21.4 50 546 A Y > - 0 0 71 3,-0.4 3,-1.1 171,-0.1 -1,-0.2 -0.986 64.9-135.7-132.9 144.0 16.0 -0.1 25.2 51 547 A R T 3 S+ 0 0 140 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.753 106.2 44.9 -60.7 -33.8 15.0 2.0 28.3 52 548 A D T 3 S+ 0 0 127 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.330 98.9 78.1 -95.0 -0.2 18.3 1.5 30.2 53 549 A V < + 0 0 4 -3,-1.1 -3,-0.4 2,-0.0 -4,-0.2 -0.948 60.5 150.8-115.2 106.7 20.6 2.2 27.2 54 550 A S - 0 0 4 -2,-0.6 208,-0.6 -6,-0.1 2,-0.3 -0.944 43.5-114.3-137.1 155.1 21.0 6.0 26.4 55 551 A P B -A 261 0A 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.707 37.0-114.2 -87.7 139.2 23.5 8.5 24.8 56 552 A F >> - 0 0 1 204,-0.5 4,-1.2 -2,-0.3 3,-0.8 -0.458 19.9-127.8 -68.0 146.4 25.0 11.1 27.1 57 553 A D T 34 S+ 0 0 39 -22,-2.7 -1,-0.1 1,-0.2 -21,-0.1 0.811 106.2 61.5 -64.8 -30.4 23.9 14.6 26.2 58 554 A H T 34 S+ 0 0 82 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.728 121.5 20.2 -71.5 -18.6 27.6 15.7 26.1 59 555 A S T <4 S+ 0 0 12 -3,-0.8 16,-2.2 201,-0.1 -1,-0.2 0.309 86.4 128.6-133.1 7.6 28.5 13.3 23.4 60 556 A R B < -B 74 0B 32 -4,-1.2 2,-0.5 14,-0.2 14,-0.3 -0.321 63.2-113.6 -64.2 149.0 25.3 12.3 21.6 61 557 A I - 0 0 10 12,-2.6 2,-0.5 10,-0.3 10,-0.4 -0.762 30.5-143.8 -87.1 125.7 25.4 12.6 17.8 62 558 A K - 0 0 110 -2,-0.5 8,-0.2 8,-0.1 2,-0.2 -0.801 6.2-133.6 -97.2 130.3 23.0 15.3 16.6 63 559 A L - 0 0 4 6,-2.7 2,-2.2 -2,-0.5 39,-0.1 -0.498 23.6-116.8 -76.9 144.8 21.1 15.0 13.3 64 560 A H S S+ 0 0 60 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.411 73.1 121.6 -82.2 65.8 21.0 18.0 11.0 65 561 A Q - 0 0 63 -2,-2.2 4,-0.1 1,-0.1 -2,-0.0 -0.935 60.1-144.1-125.6 148.5 17.3 18.5 11.2 66 562 A E S S+ 0 0 85 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.800 98.1 40.1 -81.1 -29.2 15.4 21.6 12.4 67 563 A D S S+ 0 0 147 1,-0.2 2,-0.5 2,-0.0 -2,-0.0 0.975 127.9 3.3 -83.9 -73.6 12.6 19.6 14.1 68 564 A N + 0 0 12 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.959 52.5 175.4-125.6 119.8 14.1 16.6 15.9 69 565 A D + 0 0 29 -2,-0.5 -6,-2.7 -3,-0.2 2,-0.2 0.349 39.9 123.9-100.9 6.8 17.8 15.9 16.0 70 566 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.450 20.9 153.7 -80.9 140.1 17.9 12.9 18.2 71 567 A I - 0 0 4 -10,-0.4 2,-1.5 -2,-0.2 -10,-0.3 -0.952 50.2-112.1-151.9 143.7 19.4 9.5 17.5 72 568 A N S S+ 0 0 1 -25,-0.5 17,-1.3 -2,-0.3 2,-0.3 -0.690 77.0 110.0 -83.4 91.5 20.7 7.0 20.0 73 569 A A E - C 0 88B 0 -2,-1.5 -12,-2.6 15,-0.2 2,-0.3 -0.910 48.5-154.4-165.5 137.5 24.3 7.2 19.1 74 570 A S E -BC 60 87B 0 13,-2.6 13,-1.8 -2,-0.3 2,-0.6 -0.790 17.4-126.0-117.3 158.4 27.4 8.6 20.8 75 571 A L E - C 0 86B 40 -16,-2.2 2,-0.7 -2,-0.3 11,-0.2 -0.921 19.2-161.2-107.2 115.2 30.7 9.9 19.6 76 572 A I E - C 0 85B 0 9,-2.1 9,-2.0 -2,-0.6 2,-0.6 -0.857 9.9-174.6 -95.3 114.5 33.8 8.2 21.2 77 573 A K E - C 0 84B 75 -2,-0.7 2,-1.0 7,-0.2 7,-0.2 -0.889 7.4-168.1-116.5 103.5 36.8 10.4 20.7 78 574 A M E >> - C 0 83B 3 5,-2.4 5,-1.5 -2,-0.6 4,-1.3 -0.778 4.3-171.1 -93.0 103.4 40.1 8.9 21.9 79 575 A E T >45S+ 0 0 109 -2,-1.0 3,-1.4 2,-0.2 -1,-0.2 0.985 78.0 44.1 -58.9 -71.0 42.6 11.7 21.9 80 576 A E T 345S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.882 121.3 41.2 -39.9 -58.0 46.0 10.0 22.5 81 577 A A T 345S- 0 0 8 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.729 103.2-139.8 -65.0 -23.3 45.2 7.2 20.0 82 578 A Q T <<5 + 0 0 123 -3,-1.4 2,-0.3 -4,-1.3 -3,-0.2 0.972 57.3 118.9 58.7 58.4 43.7 9.8 17.6 83 579 A R E < -C 78 0B 40 -5,-1.5 -5,-2.4 2,-0.0 2,-0.3 -0.983 41.9-162.4-149.2 150.0 40.7 7.7 16.5 84 580 A S E -C 77 0B 38 -2,-0.3 131,-0.7 -7,-0.2 2,-0.3 -0.983 6.3-178.1-138.2 147.9 37.0 8.2 16.7 85 581 A Y E -Cd 76 215B 0 -9,-2.0 -9,-2.1 -2,-0.3 2,-0.5 -0.870 23.1-135.6-135.4 169.2 33.9 6.0 16.4 86 582 A I E -Cd 75 216B 0 129,-1.7 131,-3.4 -2,-0.3 2,-0.5 -0.987 22.0-162.5-128.4 113.9 30.2 6.4 16.5 87 583 A L E +Cd 74 217B 0 -13,-1.8 -13,-2.6 -2,-0.5 2,-0.3 -0.885 19.4 164.3-100.8 132.8 28.6 3.8 18.6 88 584 A T E -Cd 73 218B 3 129,-1.9 131,-0.8 -2,-0.5 -15,-0.2 -0.935 37.0-100.7-143.9 164.0 24.9 3.3 18.1 89 585 A Q - 0 0 3 -17,-1.3 132,-0.3 -2,-0.3 131,-0.2 -0.374 55.9 -81.9 -80.3 164.1 22.1 0.8 18.8 90 586 A G - 0 0 0 130,-2.2 -1,-0.1 34,-0.2 130,-0.1 -0.550 65.7 -97.2 -66.2 130.9 20.8 -1.5 16.1 91 587 A P - 0 0 0 0, 0.0 35,-1.7 0, 0.0 -1,-0.1 -0.001 31.6-131.1 -51.7 150.8 18.3 0.6 14.1 92 588 A L >> - 0 0 22 33,-0.1 3,-1.5 -3,-0.1 4,-0.8 -0.628 29.8-104.3 -98.8 158.9 14.6 0.6 14.7 93 589 A P T 34 S+ 0 0 107 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.813 126.8 38.3 -52.7 -30.2 12.0 0.2 11.8 94 590 A N T 34 S+ 0 0 71 -48,-0.2 4,-0.2 1,-0.1 3,-0.1 0.431 112.7 60.0 -99.0 -2.3 11.3 3.9 12.1 95 591 A T T <> S+ 0 0 5 -3,-1.5 4,-2.0 1,-0.1 -1,-0.1 0.401 74.1 93.1-107.9 1.2 14.9 4.9 12.8 96 592 A C H X S+ 0 0 14 -4,-0.8 4,-1.9 1,-0.2 5,-0.2 0.869 84.5 52.2 -65.2 -38.1 16.5 3.6 9.6 97 593 A G H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 109.8 50.3 -61.9 -45.6 16.2 6.9 7.8 98 594 A H H > S+ 0 0 13 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.893 106.4 56.2 -56.5 -46.1 18.0 8.6 10.7 99 595 A F H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.929 111.6 40.7 -53.8 -53.0 20.8 6.0 10.7 100 596 A W H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.773 111.4 57.6 -71.1 -24.9 21.7 6.6 7.1 101 597 A E H X S+ 0 0 13 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.894 107.3 49.2 -70.8 -38.0 21.2 10.4 7.5 102 598 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 6,-0.2 0.907 108.7 52.2 -65.3 -42.3 23.8 10.3 10.3 103 599 A V H X>S+ 0 0 0 -4,-1.9 5,-1.7 -5,-0.2 4,-1.0 0.955 114.2 44.0 -58.6 -48.5 26.2 8.3 8.1 104 600 A W H ><5S+ 0 0 4 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.941 116.3 44.0 -62.5 -51.1 25.8 10.9 5.4 105 601 A E H 3<5S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.7 47.0 -65.9 -31.7 26.1 14.0 7.6 106 602 A Q H 3<5S- 0 0 41 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.590 105.0-129.7 -87.8 -8.8 29.0 12.5 9.6 107 603 A K T <<5 + 0 0 73 -4,-1.0 106,-2.6 -3,-0.5 -3,-0.2 0.853 41.7 172.8 64.3 38.7 30.9 11.4 6.4 108 604 A S B < -j 213 0C 3 -5,-1.7 -1,-0.2 -6,-0.2 107,-0.1 -0.451 23.4-166.5 -75.7 151.6 31.4 7.9 7.6 109 605 A R + 0 0 20 104,-0.5 67,-2.6 98,-0.4 2,-0.3 0.662 68.8 34.8-109.4 -28.7 32.9 5.5 5.0 110 606 A G E -e 176 0B 0 97,-0.4 106,-2.1 103,-0.2 2,-0.4 -0.909 57.1-157.2-134.2 155.2 32.3 2.3 6.9 111 607 A V E -ef 177 216B 0 65,-2.7 67,-2.7 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109.9 51.2 -56.3 -31.2 46.2 -2.1 19.6 237 733 A L H X S+ 0 0 27 -4,-1.5 4,-2.3 -3,-0.4 -2,-0.2 0.980 106.7 51.5 -68.3 -56.4 46.7 1.5 18.4 238 734 A L H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.798 109.2 52.2 -49.7 -35.4 48.2 2.7 21.7 239 735 A M H < S+ 0 0 11 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.942 109.7 46.8 -68.4 -47.9 50.6 -0.3 21.6 240 736 A D H < S+ 0 0 43 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.842 117.7 46.0 -61.5 -34.9 51.9 0.5 18.1 241 737 A K H < S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.895 98.1 72.9 -78.8 -45.2 52.3 4.1 19.0 242 738 A R S < S- 0 0 71 -4,-2.4 6,-0.0 -5,-0.2 4,-0.0 -0.426 81.3-126.5 -73.9 149.7 54.0 4.0 22.4 243 739 A K S S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.957 107.6 39.4 -57.8 -49.7 57.7 3.1 22.6 244 740 A D S > S- 0 0 57 1,-0.1 3,-0.6 -241,-0.0 -1,-0.3 -0.914 73.6-163.4-107.6 111.8 56.8 0.4 25.1 245 741 A P G > S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.697 82.7 67.8 -60.3 -28.9 53.5 -1.4 24.3 246 742 A S G 3 S+ 0 0 18 1,-0.2 -7,-0.1 -7,-0.1 -2,-0.0 0.887 78.3 77.1 -63.7 -42.8 53.0 -2.8 27.8 247 743 A S G < + 0 0 64 -3,-0.6 2,-0.6 -8,-0.1 -1,-0.2 0.529 69.9 114.5 -45.8 -8.8 52.4 0.6 29.5 248 744 A V < - 0 0 6 -3,-1.0 2,-1.0 -4,-0.1 3,-0.1 -0.604 57.4-157.1 -73.9 115.3 48.9 0.3 27.9 249 745 A D > - 0 0 76 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.795 5.1-165.8 -97.1 95.7 46.4 0.0 30.8 250 746 A I H > S+ 0 0 7 -2,-1.0 4,-2.1 1,-0.2 5,-0.2 0.868 88.7 50.7 -48.5 -43.5 43.4 -1.7 29.3 251 747 A K H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 109.7 48.6 -62.5 -47.0 41.3 -0.7 32.3 252 748 A K H > S+ 0 0 144 1,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.909 111.9 50.2 -60.0 -44.3 42.3 2.9 32.2 253 749 A V H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 109.6 49.6 -61.6 -43.6 41.5 3.1 28.5 254 750 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.863 110.6 50.3 -65.6 -36.9 38.0 1.6 28.8 255 751 A L H < S+ 0 0 26 -4,-1.9 -223,-0.3 2,-0.2 4,-0.2 0.873 110.8 49.7 -68.8 -35.8 37.1 4.0 31.6 256 752 A E H >< S+ 0 0 46 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.927 112.8 47.7 -65.8 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500 B F H 3> S+ 0 0 24 -3,-0.5 4,-2.0 2,-0.2 5,-0.3 0.871 76.9 60.7 -76.5 -41.1 21.5 58.2 38.8 293 501 B M H <> S+ 0 0 60 -3,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.946 102.1 55.9 -48.8 -49.9 22.2 61.5 40.6 294 502 B E H > S+ 0 0 81 -4,-0.4 4,-2.4 1,-0.2 3,-0.5 0.921 107.0 46.4 -44.8 -62.7 18.5 62.2 40.0 295 503 B M H X S+ 0 0 10 -4,-1.3 4,-3.7 1,-0.2 5,-0.3 0.882 108.5 51.6 -50.8 -54.9 17.3 59.0 41.7 296 504 B E H X S+ 0 0 88 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.809 111.4 52.0 -54.9 -33.8 19.4 59.2 44.9 297 505 B K H X S+ 0 0 139 -4,-1.6 4,-2.6 -3,-0.5 -1,-0.2 0.976 110.7 45.4 -64.6 -58.1 18.1 62.7 45.3 298 506 B E H X S+ 0 0 85 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.938 114.6 49.1 -50.5 -51.1 14.6 61.5 44.9 299 507 B F H X S+ 0 0 14 -4,-3.7 4,-2.0 1,-0.2 -1,-0.3 0.868 109.9 52.7 -59.0 -36.3 15.3 58.7 47.3 300 508 B E H X S+ 0 0 74 -4,-2.0 4,-3.0 -5,-0.3 5,-0.4 0.905 102.2 56.4 -68.8 -39.2 16.8 61.2 49.7 301 509 B Q H X S+ 0 0 113 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.941 112.0 44.9 -54.7 -46.4 13.8 63.5 49.7 302 510 B I H <>S+ 0 0 21 -4,-1.8 5,-1.6 -5,-0.2 6,-0.5 0.860 114.4 49.3 -65.8 -38.2 11.8 60.5 50.8 303 511 B D H ><5S+ 0 0 46 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.960 112.2 43.8 -68.2 -53.7 14.3 59.4 53.4 304 512 B K H 3<5S+ 0 0 182 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.917 120.1 42.4 -58.9 -47.0 14.9 62.8 55.1 305 513 B S T 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.227 102.3-136.5 -85.5 15.9 11.2 63.6 55.2 306 514 B G T < 5 + 0 0 50 -3,-1.6 3,-0.3 1,-0.2 4,-0.3 0.772 49.7 151.7 29.8 49.3 10.4 59.9 56.2 307 515 B S >< + 0 0 40 -5,-1.6 4,-2.8 1,-0.2 5,-0.2 0.358 38.3 102.1 -84.9 4.3 7.5 59.8 53.8 308 516 B W H > S+ 0 0 21 -6,-0.5 4,-3.2 1,-0.2 5,-0.3 0.946 79.2 46.0 -53.0 -60.4 7.9 56.0 53.4 309 517 B A H > S+ 0 0 57 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.850 113.6 52.6 -54.4 -35.5 5.0 54.9 55.6 310 518 B A H > S+ 0 0 51 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.976 111.3 44.2 -64.3 -54.8 2.9 57.5 53.9 311 519 B I H X S+ 0 0 27 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.922 111.3 54.2 -54.9 -50.3 3.7 56.3 50.4 312 520 B Y H X S+ 0 0 13 -4,-3.2 4,-3.5 1,-0.2 -1,-0.2 0.916 108.7 49.7 -53.1 -44.4 3.3 52.7 51.4 313 521 B Q H X S+ 0 0 82 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.893 105.6 55.0 -64.6 -37.0 -0.2 53.5 52.7 314 522 B D H X S+ 0 0 74 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.878 115.0 41.8 -61.0 -37.5 -1.2 55.3 49.5 315 523 B I H >X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.6 0.946 111.6 52.7 -72.1 -53.5 -0.2 52.0 47.7 316 524 B R H 3< S+ 0 0 137 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 116.4 43.3 -52.9 -32.1 -1.8 49.8 50.3 317 525 B H H 3< S+ 0 0 166 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.716 113.6 47.9 -87.6 -23.6 -4.9 51.9 49.8 318 526 B E H << S+ 0 0 107 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.615 84.8 125.2 -89.7 -15.5 -4.8 52.1 45.9 319 527 B A < - 0 0 28 -4,-2.1 224,-0.1 1,-0.1 225,-0.1 -0.033 66.2-107.2 -47.9 143.6 -4.2 48.3 45.5 320 528 B S - 0 0 33 223,-0.3 2,-0.4 1,-0.0 -1,-0.1 -0.293 26.6-154.2 -68.9 157.3 -6.6 46.3 43.3 321 529 B D + 0 0 147 229,-0.1 226,-0.1 -2,-0.0 -1,-0.0 -0.846 21.5 164.2-141.6 101.4 -9.1 44.0 44.9 322 530 B F - 0 0 77 -2,-0.4 2,-0.2 1,-0.1 228,-0.0 -0.627 41.4 -82.3-108.1 169.7 -10.3 41.0 42.9 323 531 B P - 0 0 63 0, 0.0 22,-2.7 0, 0.0 23,-0.4 -0.497 24.1-169.2 -81.1 144.5 -12.1 37.8 44.0 324 532 B C > + 0 0 23 20,-0.3 4,-0.9 -2,-0.2 20,-0.1 -0.516 33.4 143.7-121.5 56.0 -10.5 34.7 45.5 325 533 B R H >> + 0 0 174 1,-0.2 3,-1.8 2,-0.2 4,-0.6 0.988 68.9 51.2 -62.3 -60.2 -13.5 32.3 45.4 326 534 B V H >4 S+ 0 0 31 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.827 104.6 58.5 -47.2 -39.6 -11.7 29.1 44.5 327 535 B A H 34 S+ 0 0 1 16,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.861 106.1 51.4 -59.8 -33.2 -9.2 29.7 47.3 328 536 B K H << S+ 0 0 117 -3,-1.8 -1,-0.2 -4,-0.9 -2,-0.2 0.512 77.5 117.7 -85.6 -8.6 -12.2 29.7 49.8 329 537 B L S X< S- 0 0 62 -3,-1.0 3,-1.4 -4,-0.6 4,-0.2 -0.286 74.9-117.3 -58.3 147.3 -13.9 26.5 48.8 330 538 B P G > S+ 0 0 114 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.857 112.2 59.8 -55.9 -40.4 -14.1 23.9 51.6 331 539 B K G 3 S+ 0 0 120 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.724 107.8 46.4 -62.8 -21.7 -12.0 21.3 49.7 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1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 108.7 43.4 -55.1 -48.0 57.3 -13.3 9.8 1058 690 D S H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 116.6 49.4 -66.8 -36.9 59.1 -9.9 9.5 1059 691 D F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.975 113.7 43.9 -63.2 -57.8 58.1 -9.7 5.9 1060 692 D L H X S+ 0 0 8 -4,-3.9 4,-3.0 2,-0.2 5,-0.4 0.916 109.5 55.1 -54.2 -51.8 54.4 -10.5 6.6 1061 693 D N H X S+ 0 0 9 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.949 111.2 48.1 -46.5 -50.8 54.2 -8.2 9.5 1062 694 D F H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.901 110.8 49.5 -56.5 -48.1 55.5 -5.5 7.1 1063 695 D L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 3,-0.3 0.945 112.1 46.2 -59.2 -53.1 53.0 -6.4 4.4 1064 696 D F H X S+ 0 0 18 -4,-3.0 4,-3.6 1,-0.2 5,-0.2 0.884 109.5 57.2 -56.7 -38.1 50.0 -6.4 6.7 1065 697 D K H X S+ 0 0 20 -4,-2.3 4,-0.6 -5,-0.4 -1,-0.2 0.876 110.6 43.2 -60.4 -37.1 51.4 -3.1 8.0 1066 698 D V H <>S+ 0 0 0 -4,-1.8 5,-0.7 -3,-0.3 3,-0.5 0.892 115.3 49.9 -72.7 -43.6 51.2 -1.7 4.5 1067 699 D R H ><5S+ 0 0 7 -4,-3.1 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